A0A3Q0KT03_SCHMA Loading...

Putative atp-dependent RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KT03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,931 aa.

						>A0A3Q0KT03_SCHMA|A0A3Q0KT03
MTQKFFRQKPSSCKQIFPVVEKHLNEHLHDPNLADGQRDIVQNHMEQSKVNSKYLSNSEGSPQYNIENMILSIKNNEQFSEVAKEFRHEIIVAMENLLMSKWQSLNTPTSSVYKNFCDKVTLVDNEKYLPAFTLSETKFSLTWDSKSSITQLLENNPVTPREKLELYPPADGISRVDVEIRKERYKGTTGRLMGTVPQIPPPSSIQKNLHWTKEKYTSEENVVDDCREQIIHFINSNPITIISGPPGIGKTTYLPQILVDECYMQGHRCRIICSQPYRLYAHINADRLSQIRGETTGQTVGYQIRLESKVSPKTLLTFCTHGVLLRTICADPRIMAGTTHIIVDEIEDDEIPENLHLTKLQNTEAKLMMTTVSNGDTDKSWCADNPDVGYGILLAIIPSLLNQYQHLKVILIINSRISTYEFCHENILNEMKNSINSVNAPSSVPMTYCEVHNNAAQYKYEISSINFKGQIQQPKFNLINNGFDELSSVSSHSTDNNLSPAFTAKVTPPIANIRNNISSENVVYKPLQGFSKYYNGAPIISIPYRAKQVRVYYLEDILEWTNYSTSRMNEASVCMSQDDVRCRNMYFWLTTKESDKYISCEYHIYTTDSGNKVNMVKDKTFNTSVSNAVPKKLPVFPEGQAVPHLKSDQILNQTDDCSEVCSTVFAKKHANNLLWSIWLRTVLDPNRNKLNKHHMKETDEMEVTEGKNSCLTNLLQCILSGLISVDYEHSDSGLTSIMVCSAGGLLEAVKCLLRHGADPFMRVAIPYEPLIGLARKQCKDFKLFGPKDRKMSTTDENYTIVGVTAYDLACIFDNNEIANLLKTYMINSSLRHEPENWEAILLRFGSWFQSPIGRSQFDNCTFKGYQPFTTDLGSLEETKVLMNSLNFRYKLLSSYQLARNNMEPETIVDHDLLTALIVKIDSSLPRGVILIFLPSYEEIMTLRGRLIDPDNSPWKSPEKPLIFILHPRMLVADLKTIYAQSSRSHRKLILSSSIAESSMTFDDVVYIIDCGLNYGEEFLDWTQTTSLRNQWISKSNAIQRKSRVGKNINGICFRLYSSLRYSFLPEERRGSLSGHVIEEMCIQARLLAPSNITLQTVLSALPKPPSPKSCENAIETLKEMDVLDTFEELTELGYHICDMPIPPRYAKMVLFSVVLKCLDPILTIACILTYTEPFILPRNAAERKDLMNIRRSLSSNSYSDHMVLLRAFQFWQKSRSEGWEKAFCQKHFISSATFEVIIAIRTQLLGQLRASGFVKTKGSGDIRDLNSNSDNWAVVKAAIVAGMYGNLAQVDRNNSCLRIVNGNSMPVVLDPQSVIATNANGAEMNVNDLPCDWLVFNEVLTLTDPKLHTSPESNNTDHLALKKLKIIRCVSIVSPITVALMGGSIRVCPQIEKETHSIANVIPDLNLKSSLKELLRQECKNSVHEQEVCSCLSNKNEDNAGKAYVNPEDRLENDLNSNSVSENNMTATSILENNGQLLSSYIQQNIHKTLPTMMQQKTIKQNPYSMLSDSDTTRISSFKISELNDSALKMLKYFNSMQISDCFDHVKSLSLQNQTKLSQPSVEQPNMESSSSTNVQKNNIVSFHLDPHKFLRFTVNSNEAIMVTELRQKWHALLLRRLKNPGKHCSQQDEAVLKCLINVLTNEEKALGLLQPFGVGARPRPMAVELYNRVDDAQNIDPKGMKAISEQPVSNRYGSIVCTTAGTNTTMPIFLSNTSLVKQNNSMYNYSSITNPKLTEVLSTNDFNKPHEQYLFQVYKGDNNTSMYNPIKQINISSTEIWKCPLPSNTTGNTDSMSVYEPFKDNISLSEGKNTSTISHMTKGFSEKHINIQNFKPDSLPNLKQLGIVENKKHQSSEHEILGSKTRHYSTTSEDKNSSDTLYGPHALNTVTNPFDVTYPTANHNNITMENDVAFRDINDIIYALLNDDTNKNHN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	36.4	Very low	180 Å²	180	123 Å²	123	89%	0.887	60%	0.596	S	S	*	*				0	-32	0	-72.6	174.5	-179	0	0	114	Q3 K4 F5 Y1504	M1-Q3 PolarHBondContact O-N 2.67Å; M1-K4 WeakPolarHBondContact O-CA 3.47Å; M1-K4 VanDerWaalsContact O-CB 3.25Å; M1-K4 WeakPolarHBondContact O-CB 3.24Å; M1-K4 PolarHBondContact O-N 3.17Å; M1-F5 PolarHBondContact O-N 2.87Å; M1-Y1504 PolarHBondContact N-OH 3.15Å
2	T	30.9	Very low	36.7	Very low	56 Å²	56	115.8 Å²	115.8	34%	0.344	57%	0.567	S	S	.	*	H	α-helix	trans	-51.5	-43.6	-170.3	-22.9	0	0	0	0	115.4	K4 F5 F6 M94	T2-K4 VanDerWaalsContact C-N 3.26Å; T2-K4 PolarHBondContact O-N 2.86Å; T2-F5 WeakPolarHBondContact O-CB 3.43Å; T2-F5 PolarHBondContact O-N 2.78Å; T2-F6 HydrophobicContact CG2-CD2 4.08Å; T2-F6 HydrophobicContact CG2-CE2 3.87Å; T2-F6 PolarHBondContact O-N 3.34Å; T2-M94 HydrophobicContact CG2-CE 4.37Å
3	Q	35.7	Very low	36.8	Very low	129 Å²	129	110.7 Å²	110.7	60%	0.603	55%	0.55	S	S	*	.	H	α-helix	trans	-56.1	-37.2	173.7	-71.3	173.9	-16.6	0	0	112.9	M1 F5 R7	M1-Q3 PolarHBondContact O-N 2.67Å; Q3-F5 VanDerWaalsContact C-N 3.34Å; Q3-R7 VanDerWaalsContact O-CB 3.26Å; Q3-R7 WeakPolarHBondContact O-CB 3.32Å; Q3-R7 VanDerWaalsContact O-CG 3.24Å; Q3-R7 WeakPolarHBondContact O-CG 3.45Å; Q3-R7 PolarHBondContact O-N 2.88Å
4	K	38.4	Very low	37.2	Very low	157 Å²	157	115.8 Å²	115.8	68%	0.683	57%	0.567	S	S	*	*	H	α-helix	trans	-69.7	-32.2	177.5	-127.5	177.1	-174.6	178.5	0	111.8	M1 T2 Q8	M1-K4 WeakPolarHBondContact O-CA 3.47Å; M1-K4 VanDerWaalsContact O-CB 3.25Å; M1-K4 WeakPolarHBondContact O-CB 3.24Å; M1-K4 PolarHBondContact O-N 3.17Å; T2-K4 VanDerWaalsContact C-N 3.26Å; T2-K4 PolarHBondContact O-N 2.86Å; K4-Q8 WeakPolarHBondContact O-CB 3.41Å; K4-Q8 VanDerWaalsContact O-CG 3.27Å; K4-Q8 WeakPolarHBondContact O-CG 3.29Å; K4-Q8 PolarHBondContact O-N 3.1Å
5	F	36.5	Very low	37.9	Very low	108 Å²	108	116.7 Å²	116.7	47%	0.474	57%	0.57	S	S	.	*	H	α-helix	trans	-71.9	-50.1	177.9	-166.5	-95.2	0	0	0	111.4	M1 T2 Q3 R7 Q8 K9	M1-F5 PolarHBondContact O-N 2.87Å; T2-F5 WeakPolarHBondContact O-CB 3.43Å; T2-F5 PolarHBondContact O-N 2.78Å; Q3-F5 VanDerWaalsContact C-N 3.34Å; F5-R7 PolarHBondContact O-N 3.38Å; F5-Q8 PolarHBondContact O-N 3.12Å; F5-Q8 VanDerWaalsContact O-N 3.12Å; F5-K9 PolarHBondContact O-N 3.09Å
6	F	40.3	Very low	38.3	Very low	86 Å²	86	114.6 Å²	114.6	38%	0.377	56%	0.56	S	S	.	*	H	α-helix	trans	-64.9	-37.4	176.3	-78	-68.8	0	0	0	112.8	T2 Q8 I16	T2-F6 HydrophobicContact CG2-CD2 4.08Å; T2-F6 HydrophobicContact CG2-CE2 3.87Å; T2-F6 PolarHBondContact O-N 3.34Å; F6-Q8 PolarHBondContact O-N 2.89Å; F6-I16 HydrophobicContact CE1-CD1 4.2Å; F6-I16 HydrophobicContact CZ-CD1 4.26Å
7	R	40.3	Very low	38.9	Very low	166 Å²	166	113.9 Å²	113.9	63%	0.626	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-15	172.7	-77.5	178.8	176	176.2	1.6	114.5	Q3 F5	Q3-R7 VanDerWaalsContact O-CB 3.26Å; Q3-R7 WeakPolarHBondContact O-CB 3.32Å; Q3-R7 VanDerWaalsContact O-CG 3.24Å; Q3-R7 WeakPolarHBondContact O-CG 3.45Å; Q3-R7 PolarHBondContact O-N 2.88Å; F5-R7 PolarHBondContact O-N 3.38Å
8	Q	38.2	Very low	39.8	Very low	144 Å²	144	112 Å²	112	67%	0.673	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-19.4	-176.1	-76.8	-177.9	-15.2	0	0	115.1	K4 F5 F6	K4-Q8 WeakPolarHBondContact O-CB 3.41Å; K4-Q8 VanDerWaalsContact O-CG 3.27Å; K4-Q8 WeakPolarHBondContact O-CG 3.29Å; K4-Q8 PolarHBondContact O-N 3.1Å; F5-Q8 PolarHBondContact O-N 3.12Å; F5-Q8 VanDerWaalsContact O-N 3.12Å; F6-Q8 PolarHBondContact O-N 2.89Å
9	K	34.8	Very low	40.6	Very low	131 Å²	131	110.9 Å²	110.9	57%	0.57	55%	0.552	S	S	*	*			trans	-142	74.7	-178.3	-67.2	-169.9	177.9	179.7	0	113.3	F5 S11 S12	F5-K9 PolarHBondContact O-N 3.09Å; K9-S11 PolarHBondContact O-N 2.62Å; K9-S11 VanDerWaalsContact O-N 3.12Å; K9-S12 WeakPolarHBondContact O-CB 3.24Å; K9-S12 PolarHBondContact O-N 2.85Å; K9-S12 PolarHBondContact O-OG 2.91Å
10	P	35.2	Very low	41.1	Very low	102 Å²	102	107.9 Å²	107.9	66%	0.662	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20.9	-178.9	25.1	-34.9	0	0	0	114.3	S12 C13	P10-S12 PolarHBondContact O-N 3.41Å; P10-C13 PolarHBondContact O-N 2.67Å
11	S	40.5	Very low	42	Very low	94 Å²	94	107 Å²	107	66%	0.657	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18.6	173.3	49.6	0	0	0	0	114.1	K9	K9-S11 PolarHBondContact O-N 2.62Å; K9-S11 VanDerWaalsContact O-N 3.12Å
12	S	39.8	Very low	43.7	Very low	36 Å²	36	103.5 Å²	103.5	25%	0.252	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-73.1	-29	179.7	-54.8	0	0	0	0	113.7	K9 P10 K14 Q15	K9-S12 WeakPolarHBondContact O-CB 3.24Å; K9-S12 PolarHBondContact O-N 2.85Å; K9-S12 PolarHBondContact O-OG 2.91Å; P10-S12 PolarHBondContact O-N 3.41Å; S12-K14 VanDerWaalsContact C-N 3.26Å; S12-K14 PolarHBondContact O-N 2.95Å; S12-Q15 PolarHBondContact O-N 3.02Å
13	C	38	Very low	44.9	Very low	50 Å²	50	104.3 Å²	104.3	34%	0.338	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-65.4	-27.6	-175.4	-60.8	0	0	0	0	113.5	P10 Q15 I16	P10-C13 PolarHBondContact O-N 2.67Å; C13-Q15 PolarHBondContact O-N 3.01Å; C13-Q15 VanDerWaalsContact O-N 3.12Å; C13-I16 PolarHBondContact O-N 2.85Å; C13-I16 VanDerWaalsContact O-N 3.12Å
14	K	42.5	Very low	46	Very low	182 Å²	182	99.9 Å²	99.9	79%	0.791	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-65.3	-13.2	-179.8	-69.9	-168	173.9	-171.9	0	114.1	S12	S12-K14 VanDerWaalsContact C-N 3.26Å; S12-K14 PolarHBondContact O-N 2.95Å
15	Q	48.4	Very low	47.3	Very low	130 Å²	130	95.5 Å²	95.5	61%	0.607	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-90.6	-9.4	176.9	-62.5	-172.8	-48.5	0	0	113.5	S12 C13	S12-Q15 PolarHBondContact O-N 3.02Å; C13-Q15 PolarHBondContact O-N 3.01Å; C13-Q15 VanDerWaalsContact O-N 3.12Å
16	I	43.9	Very low	48.7	Very low	82 Å²	82	94.8 Å²	94.8	42%	0.421	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-42.3	-172.7	-56.9	175.5	0	0	0	111.7	F6 C13 V19 V20	F6-I16 HydrophobicContact CE1-CD1 4.2Å; F6-I16 HydrophobicContact CZ-CD1 4.26Å; C13-I16 PolarHBondContact O-N 2.85Å; C13-I16 VanDerWaalsContact O-N 3.12Å; I16-V19 WeakPolarHBondContact O-CB 3.26Å; I16-V19 PolarHBondContact O-N 2.66Å; I16-V20 HydrophobicContact CG2-CG2 4.35Å; I16-V20 PolarHBondContact O-N 2.75Å
17	F	48.9	Very low	49.8	Very low	103 Å²	103	94.6 Å²	94.6	45%	0.452	48%	0.476	S	S	.	.	H	α-helix	trans	-51	-47.6	-179.1	-103.4	-92.2	0	0	0	114.4	V19 V20 E21 L55	F17-V19 PolarHBondContact O-N 2.8Å; F17-V20 PolarHBondContact O-N 3.17Å; F17-E21 PolarHBondContact O-N 2.85Å; F17-L55 HydrophobicContact CE2-CD1 4.43Å; F17-L55 HydrophobicContact CZ-CD1 4.24Å
18	P	54.5	Low	50.8	Low	80 Å²	80	88.3 Å²	88.3	52%	0.519	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-22.1	-179.5	-23.1	35.1	0	0	0	114.4	K22	P18-K22 WeakPolarHBondContact O-CB 3.23Å; P18-K22 PolarHBondContact O-N 2.81Å
19	V	54.6	Low	52.2	Low	92 Å²	92	88.8 Å²	88.8	56%	0.558	46%	0.456	S	S	*	.	H	α-helix	trans	-78.5	-45	177.9	-174.6	0	0	0	0	110.2	I16 F17 K22 H23	I16-V19 WeakPolarHBondContact O-CB 3.26Å; I16-V19 PolarHBondContact O-N 2.66Å; F17-V19 PolarHBondContact O-N 2.8Å; V19-K22 PolarHBondContact O-N 3.17Å; V19-H23 PolarHBondContact O-N 2.63Å; V19-H23 VanDerWaalsContact O-N 3.17Å
20	V	51.2	Low	53.8	Low	50 Å²	50	84.9 Å²	84.9	30%	0.303	44%	0.442	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.5	175.2	0	0	0	0	111.1	I16 F17 K22 H23 L24 F86	I16-V20 HydrophobicContact CG2-CG2 4.35Å; I16-V20 PolarHBondContact O-N 2.75Å; F17-V20 PolarHBondContact O-N 3.17Å; V20-K22 VanDerWaalsContact C-N 3.31Å; V20-K22 PolarHBondContact O-N 2.68Å; V20-H23 PolarHBondContact O-N 3.32Å; V20-L24 HydrophobicContact CG1-CD1 4.01Å; V20-L24 WeakPolarHBondContact O-CG 3.22Å; V20-L24 PolarHBondContact O-N 2.75Å; V20-L24 VanDerWaalsContact O-N 3.11Å; V20-F86 HydrophobicContact CG1-CZ 4.26Å; V20-F86 HydrophobicContact CG2-CZ 4.28Å
21	E	59.8	Low	55.3	Low	88 Å²	88	85.3 Å²	85.3	41%	0.411	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-35.9	177.4	-172.9	166.8	-155.4	0	0	111.9	F17 N25	F17-E21 PolarHBondContact O-N 2.85Å; E21-N25 PolarHBondContact O-N 3.22Å; E21-N25 PolarHBondContact O-ND2 3.32Å
22	K	64.7	Low	56.6	Low	108 Å²	108	87.4 Å²	87.4	47%	0.47	45%	0.449	S	S	.	.	H	α-helix	trans	-63.6	-50.6	176.2	-175.4	178.6	173.9	-69.9	0	112.2	P18 V19 V20 L24 N25 E26	P18-K22 WeakPolarHBondContact O-CB 3.23Å; P18-K22 PolarHBondContact O-N 2.81Å; V19-K22 PolarHBondContact O-N 3.17Å; V20-K22 VanDerWaalsContact C-N 3.31Å; V20-K22 PolarHBondContact O-N 2.68Å; K22-L24 PolarHBondContact O-N 3.45Å; K22-N25 WeakPolarHBondContact O-CB 3.47Å; K22-N25 PolarHBondContact O-N 3.01Å; K22-N25 VanDerWaalsContact O-N 3.16Å; K22-E26 WeakPolarHBondContact CE-OE1 3.38Å; K22-E26 IonicContact NZ-OE1 2.59Å; K22-E26 PolarHBondContact NZ-OE1 2.81Å; K22-E26 IonicContact NZ-OE2 2.83Å; K22-E26 PolarHBondContact NZ-OE2 2.69Å; K22-E26 WeakPolarHBondContact O-CG 3.12Å; K22-E26 PolarHBondContact O-N 2.98Å
23	H	57.6	Low	57.5	Low	72 Å²	72	86.9 Å²	86.9	33%	0.333	44%	0.443	S	S	.	.	H	α-helix	trans	-66.8	-32.9	179.7	-89.9	6.4	0	0	0	114	V19 V20 N25 E26 H27 E89	V19-H23 PolarHBondContact O-N 2.63Å; V19-H23 VanDerWaalsContact O-N 3.17Å; V20-H23 PolarHBondContact O-N 3.32Å; H23-N25 VanDerWaalsContact C-N 3.32Å; H23-N25 PolarHBondContact O-N 2.95Å; H23-E26 IonicContact CE1-OE1 3.35Å; H23-E26 CovalentContact CE1-OE2 1.85Å; H23-E26 IonicContact CE1-OE2 3.14Å; H23-E26 PolarHBondContact CE1-OE2 3.12Å; H23-E26 IonicContact CG-OE2 2.73Å; H23-E26 IonicContact ND1-OE2 2.76Å; H23-E26 PolarHBondContact ND1-OE2 3.45Å; H23-E26 IonicContact NE2-OE2 3.81Å; H23-E26 PolarHBondContact NE2-OE2 2.93Å; H23-E26 PolarHBondContact O-N 3.02Å; H23-H27 PolarHBondContact O-N 3.05Å; H23-E89 IonicContact CD2-OE2 2.81Å; H23-E89 PolarHBondContact CD2-OE2 2.73Å; H23-E89 VanDerWaalsContact CD2-OE2 3.27Å
24	L	57.6	Low	58.8	Low	36 Å²	36	87.1 Å²	87.1	19%	0.188	45%	0.448	C	S	.	.	H	α-helix	trans	-65.3	-33.9	172.5	-71.8	170.4	0	0	0	112.4	V20 K22 L28 V41 M45	V20-L24 HydrophobicContact CG1-CD1 4.01Å; V20-L24 WeakPolarHBondContact O-CG 3.22Å; V20-L24 PolarHBondContact O-N 2.75Å; V20-L24 VanDerWaalsContact O-N 3.11Å; K22-L24 PolarHBondContact O-N 3.45Å; L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-V41 HydrophobicContact CD2-CG1 4.16Å; L24-M45 VanDerWaalsContact C-CE 3.42Å; L24-M45 HydrophobicContact CB-CE 3.9Å; L24-M45 HydrophobicContact CB-CG 4.26Å
25	N	67.1	Low	60	Low	65 Å²	65	83.7 Å²	83.7	35%	0.348	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-38.6	171.6	-79	-83.2	0	0	0	111.6	E21 K22 H23 L28 H29 M45	E21-N25 PolarHBondContact O-N 3.22Å; E21-N25 PolarHBondContact O-ND2 3.32Å; K22-N25 WeakPolarHBondContact O-CB 3.47Å; K22-N25 PolarHBondContact O-N 3.01Å; K22-N25 VanDerWaalsContact O-N 3.16Å; H23-N25 VanDerWaalsContact C-N 3.32Å; H23-N25 PolarHBondContact O-N 2.95Å; N25-L28 PolarHBondContact O-N 3.14Å; N25-H29 PolarHBondContact O-CD2 3.16Å; N25-H29 VanDerWaalsContact O-CD2 3.28Å; N25-M45 VanDerWaalsContact CA-CE 3.49Å; N25-M45 HydrophobicContact CB-CE 3.95Å; N25-M45 VanDerWaalsContact N-CE 3.3Å; N25-M45 WeakPolarHBondContact ND2-CE 3.34Å; N25-M45 WeakPolarHBondContact OD1-CE 3.27Å
26	E	65.7	Low	60.5	Low	93 Å²	93	79.8 Å²	79.8	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-67.4	-39	-178.6	-70.8	170.9	143.3	0	0	111.9	K22 H23 H29	K22-E26 WeakPolarHBondContact CE-OE1 3.38Å; K22-E26 IonicContact NZ-OE1 2.59Å; K22-E26 PolarHBondContact NZ-OE1 2.81Å; K22-E26 IonicContact NZ-OE2 2.83Å; K22-E26 PolarHBondContact NZ-OE2 2.69Å; K22-E26 WeakPolarHBondContact O-CG 3.12Å; K22-E26 PolarHBondContact O-N 2.98Å; H23-E26 IonicContact CE1-OE1 3.35Å; H23-E26 CovalentContact CE1-OE2 1.85Å; H23-E26 IonicContact CE1-OE2 3.14Å; H23-E26 PolarHBondContact CE1-OE2 3.12Å; H23-E26 IonicContact CG-OE2 2.73Å; H23-E26 IonicContact ND1-OE2 2.76Å; H23-E26 PolarHBondContact ND1-OE2 3.45Å; H23-E26 IonicContact NE2-OE2 3.81Å; H23-E26 PolarHBondContact NE2-OE2 2.93Å; H23-E26 PolarHBondContact O-N 3.02Å; E26-H29 PolarHBondContact O-N 2.85Å
27	H	63.5	Low	60.9	Low	82 Å²	82	79.4 Å²	79.4	38%	0.38	43%	0.43	S	S	.	.	H	α-helix	trans	-71.1	-31.9	172.4	-93	-58.2	0	0	0	114.5	H23 H29 D30	H23-H27 PolarHBondContact O-N 3.05Å; H27-H29 PolarHBondContact O-N 2.94Å; H27-H29 VanDerWaalsContact O-N 3.16Å; H27-D30 WeakPolarHBondContact O-CB 3.43Å; H27-D30 PolarHBondContact O-N 3.02Å; H27-D30 VanDerWaalsContact O-N 3.14Å
28	L	60	Low	61.8	Low	34 Å²	34	78 Å²	78	18%	0.178	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-15.2	177.1	-110.7	157.8	0	0	0	113.4	L24 N25 V41 M45	L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 PolarHBondContact O-N 3.03Å; N25-L28 PolarHBondContact O-N 3.14Å; L28-V41 HydrophobicContact CD1-CG1 3.92Å; L28-V41 HydrophobicContact CG-CB 4.42Å; L28-V41 HydrophobicContact CG-CG1 3.8Å; L28-M45 HydrophobicContact CD1-CE 3.63Å; L28-M45 HydrophobicContact CD1-CG 4.07Å; L28-M45 HydrophobicContact CD1-SD 3.7Å
29	H	68.3	Low	62.4	Low	154 Å²	154	78.9 Å²	78.9	71%	0.713	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	8.4	176.3	-69.9	-50.7	0	0	0	114.4	N25 E26 H27 P31	N25-H29 PolarHBondContact O-CD2 3.16Å; N25-H29 VanDerWaalsContact O-CD2 3.28Å; E26-H29 PolarHBondContact O-N 2.85Å; H27-H29 PolarHBondContact O-N 2.94Å; H27-H29 VanDerWaalsContact O-N 3.16Å; H29-P31 WeakPolarHBondContact O-CD 3.33Å
30	D	68.4	Low	62.4	Low	49 Å²	49	77 Å²	77	26%	0.262	41%	0.408	S	S	.	.			trans	-70.7	120.4	173.9	-169.4	-18	0	0	0	111	H27 N32 L33 R38	H27-D30 WeakPolarHBondContact O-CB 3.43Å; H27-D30 PolarHBondContact O-N 3.02Å; H27-D30 VanDerWaalsContact O-N 3.14Å; D30-N32 PolarHBondContact O-N 3.44Å; D30-N32 WeakPolarHBondContact OD1-CB 3.36Å; D30-N32 PolarHBondContact OD1-N 3.36Å; D30-N32 PolarHBondContact OD1-ND2 2.92Å; D30-L33 HydrophobicContact CB-CB 4.35Å; D30-L33 HydrophobicContact CB-CD1 4.32Å; D30-L33 PolarHBondContact O-N 3.41Å; D30-R38 PolarHBondContact O-NH2 3.31Å; D30-R38 VanDerWaalsContact O-NH2 3.07Å
31	P	67.1	Low	62.9	Low	111 Å²	111	75.3 Å²	75.3	72%	0.721	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22	176.5	27.5	-35.1	0	0	0	113.2	H29 R38	H29-P31 WeakPolarHBondContact O-CD 3.33Å; P31-R38 PolarHBondContact O-NH2 2.87Å
32	N	66.7	Low	63.3	Low	139 Å²	139	75.7 Å²	75.7	74%	0.743	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.7	-177.1	-50.3	-79.5	0	0	0	113.6	D30 A34	D30-N32 PolarHBondContact O-N 3.44Å; D30-N32 WeakPolarHBondContact OD1-CB 3.36Å; D30-N32 PolarHBondContact OD1-N 3.36Å; D30-N32 PolarHBondContact OD1-ND2 2.92Å; N32-A34 PolarHBondContact O-N 3.41Å
33	L	59.4	Low	63.2	Low	25 Å²	25	74.8 Å²	74.8	13%	0.131	40%	0.4	C	S	.	.			trans	-65.4	129.1	-179.2	-135.5	76.8	0	0	0	110.6	D30 Q37 R38 V41	D30-L33 HydrophobicContact CB-CB 4.35Å; D30-L33 HydrophobicContact CB-CD1 4.32Å; D30-L33 PolarHBondContact O-N 3.41Å; L33-Q37 HydrophobicContact CD2-CB 4.11Å; L33-Q37 HydrophobicContact CG-CB 3.84Å; L33-R38 HydrophobicContact CB-CG 4.15Å; L33-R38 HydrophobicContact CD2-CG 3.93Å; L33-R38 PolarHBondContact O-NH1 2.97Å; L33-R38 VanDerWaalsContact O-NH1 3.11Å; L33-R38 PolarHBondContact O-NH2 3.1Å; L33-V41 HydrophobicContact CD2-CG2 4.28Å
34	A	65.6	Low	63.1	Low	54 Å²	54	73.6 Å²	73.6	45%	0.446	39%	0.394	S	S	.	.			trans	-69.7	152.4	174.3	0	0	0	0	0	110.7	N32 G36 Q37 R38	N32-A34 PolarHBondContact O-N 3.41Å; A34-G36 VanDerWaalsContact C-N 3.32Å; A34-G36 PolarHBondContact O-N 2.9Å; A34-Q37 HydrophobicContact CB-CG 4.27Å; A34-Q37 WeakPolarHBondContact O-CA 3.32Å; A34-Q37 VanDerWaalsContact O-CB 3.3Å; A34-Q37 WeakPolarHBondContact O-CB 3.42Å; A34-Q37 PolarHBondContact O-N 3.22Å; A34-R38 PolarHBondContact O-N 3.11Å
35	D	67.2	Low	63.3	Low	111 Å²	111	72.4 Å²	72.4	59%	0.594	39%	0.388	S	S	*	.	H	α-helix	trans	-62.6	-38.1	-173.6	-62.8	-42.3	0	0	0	112.8	Q37 R38 D39	D35-Q37 PolarHBondContact O-N 3.08Å; D35-R38 WeakPolarHBondContact O-CB 3.44Å; D35-R38 PolarHBondContact O-N 3.1Å; D35-R38 VanDerWaalsContact O-N 3.08Å; D35-R38 IonicContact OD1-CZ 3.99Å; D35-R38 IonicContact OD1-NH1 2.68Å; D35-R38 PolarHBondContact OD1-NH1 3.12Å; D35-D39 PolarHBondContact O-N 3.07Å
36	G	58.1	Low	63.1	Low	48 Å²	48	74.7 Å²	74.7	50%	0.495	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-20.2	171.5	0	0	0	0	0	114.5	A34 I40	A34-G36 VanDerWaalsContact C-N 3.32Å; A34-G36 PolarHBondContact O-N 2.9Å; G36-I40 WeakPolarHBondContact O-CD1 3.44Å; G36-I40 VanDerWaalsContact O-CG1 3.29Å; G36-I40 WeakPolarHBondContact O-CG1 3.07Å
37	Q	52.7	Low	62.4	Low	73 Å²	73	74.9 Å²	74.9	34%	0.341	40%	0.397	S	S	.	.	H	α-helix	trans	-83.6	-36.9	170.6	-65.1	171.7	-39.4	0	0	111.3	L33 A34 D35 D39 I40 V41	L33-Q37 HydrophobicContact CD2-CB 4.11Å; L33-Q37 HydrophobicContact CG-CB 3.84Å; A34-Q37 HydrophobicContact CB-CG 4.27Å; A34-Q37 WeakPolarHBondContact O-CA 3.32Å; A34-Q37 VanDerWaalsContact O-CB 3.3Å; A34-Q37 WeakPolarHBondContact O-CB 3.42Å; A34-Q37 PolarHBondContact O-N 3.22Å; D35-Q37 PolarHBondContact O-N 3.08Å; Q37-D39 VanDerWaalsContact C-N 3.34Å; Q37-D39 PolarHBondContact O-N 3.04Å; Q37-I40 PolarHBondContact O-N 3.34Å; Q37-V41 WeakPolarHBondContact O-CG2 3.35Å; Q37-V41 PolarHBondContact O-N 3.42Å
38	R	68.3	Low	61.6	Low	73 Å²	73	72.1 Å²	72.1	28%	0.275	39%	0.387	S	S	.	.	H	α-helix	trans	-57.7	-47.5	172	-68.3	-176.2	175.2	109.4	14	110.9	D30 P31 L33 A34 D35 I40 V41 Q42	D30-R38 PolarHBondContact O-NH2 3.31Å; D30-R38 VanDerWaalsContact O-NH2 3.07Å; P31-R38 PolarHBondContact O-NH2 2.87Å; L33-R38 HydrophobicContact CB-CG 4.15Å; L33-R38 HydrophobicContact CD2-CG 3.93Å; L33-R38 PolarHBondContact O-NH1 2.97Å; L33-R38 VanDerWaalsContact O-NH1 3.11Å; L33-R38 PolarHBondContact O-NH2 3.1Å; A34-R38 PolarHBondContact O-N 3.11Å; D35-R38 WeakPolarHBondContact O-CB 3.44Å; D35-R38 PolarHBondContact O-N 3.1Å; D35-R38 VanDerWaalsContact O-N 3.08Å; D35-R38 IonicContact OD1-CZ 3.99Å; D35-R38 IonicContact OD1-NH1 2.68Å; D35-R38 PolarHBondContact OD1-NH1 3.12Å; R38-I40 VanDerWaalsContact C-N 3.28Å; R38-I40 PolarHBondContact O-N 2.82Å; R38-V41 PolarHBondContact O-N 2.81Å; R38-Q42 VanDerWaalsContact O-CB 3.26Å; R38-Q42 WeakPolarHBondContact O-CB 3.36Å; R38-Q42 PolarHBondContact O-N 2.84Å
39	D	65.9	Low	61.3	Low	100 Å²	100	75 Å²	75	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-57.9	-38.8	177.2	-77.1	-22.4	0	0	0	112.4	D35 Q37 N43	D35-D39 PolarHBondContact O-N 3.07Å; Q37-D39 VanDerWaalsContact C-N 3.34Å; Q37-D39 PolarHBondContact O-N 3.04Å; D39-N43 WeakPolarHBondContact O-CB 3.46Å; D39-N43 PolarHBondContact O-N 2.83Å; D39-N43 PolarHBondContact O-ND2 2.75Å
40	I	56	Low	60.3	Low	51 Å²	51	71.3 Å²	71.3	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-67.9	-47.1	177.4	-66.4	166.1	0	0	0	111.1	G36 Q37 R38 Q42 N43 H44 F79	G36-I40 WeakPolarHBondContact O-CD1 3.44Å; G36-I40 VanDerWaalsContact O-CG1 3.29Å; G36-I40 WeakPolarHBondContact O-CG1 3.07Å; Q37-I40 PolarHBondContact O-N 3.34Å; R38-I40 VanDerWaalsContact C-N 3.28Å; R38-I40 PolarHBondContact O-N 2.82Å; I40-Q42 VanDerWaalsContact C-N 3.33Å; I40-Q42 PolarHBondContact O-N 3.44Å; I40-N43 PolarHBondContact O-N 3.31Å; I40-H44 PolarHBondContact O-N 3.21Å; I40-H44 PolarHBondContact O-ND1 3.27Å; I40-F79 HydrophobicContact CB-CE2 4.46Å; I40-F79 HydrophobicContact CB-CZ 4.48Å; I40-F79 HydrophobicContact CD1-CE2 4.15Å; I40-F79 HydrophobicContact CG2-CE2 3.75Å; I40-F79 HydrophobicContact CG2-CZ 3.7Å
41	V	61.5	Low	58.9	Low	16 Å²	16	70.7 Å²	70.7	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-64.7	-39	178.8	179.4	0	0	0	0	110.9	L24 L28 L33 Q37 R38 H44 M45	L24-V41 HydrophobicContact CD2-CG1 4.16Å; L28-V41 HydrophobicContact CD1-CG1 3.92Å; L28-V41 HydrophobicContact CG-CB 4.42Å; L28-V41 HydrophobicContact CG-CG1 3.8Å; L33-V41 HydrophobicContact CD2-CG2 4.28Å; Q37-V41 WeakPolarHBondContact O-CG2 3.35Å; Q37-V41 PolarHBondContact O-N 3.42Å; R38-V41 PolarHBondContact O-N 2.81Å; V41-H44 PolarHBondContact O-N 3.5Å; V41-M45 PolarHBondContact O-N 2.91Å
42	Q	68.3	Low	57.5	Low	96 Å²	96	68.5 Å²	68.5	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-68.8	-42	179.1	-164.9	159.6	-42.4	0	0	112	R38 I40 H44 M45 E46	R38-Q42 VanDerWaalsContact O-CB 3.26Å; R38-Q42 WeakPolarHBondContact O-CB 3.36Å; R38-Q42 PolarHBondContact O-N 2.84Å; I40-Q42 VanDerWaalsContact C-N 3.33Å; I40-Q42 PolarHBondContact O-N 3.44Å; Q42-H44 VanDerWaalsContact C-N 3.34Å; Q42-H44 PolarHBondContact O-N 2.8Å; Q42-M45 WeakPolarHBondContact O-CB 3.49Å; Q42-M45 PolarHBondContact O-N 2.6Å; Q42-E46 PolarHBondContact O-N 2.98Å
43	N	61.5	Low	56.2	Low	88 Å²	88	69.7 Å²	69.7	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-41	170.6	-88.2	-84.8	0	0	0	112.3	D39 I40 E46 Q47	D39-N43 WeakPolarHBondContact O-CB 3.46Å; D39-N43 PolarHBondContact O-N 2.83Å; D39-N43 PolarHBondContact O-ND2 2.75Å; I40-N43 PolarHBondContact O-N 3.31Å; N43-E46 PolarHBondContact O-N 3.4Å; N43-Q47 WeakPolarHBondContact O-CG 3.41Å; N43-Q47 PolarHBondContact O-N 3.43Å
44	H	56.6	Low	55.1	Low	48 Å²	48	77 Å²	77	22%	0.222	40%	0.396	C	S	.	.	H	α-helix	trans	-69.4	-32.1	176.9	-76	76.3	0	0	0	112.6	I40 V41 Q42 S48	I40-H44 PolarHBondContact O-N 3.21Å; I40-H44 PolarHBondContact O-ND1 3.27Å; V41-H44 PolarHBondContact O-N 3.5Å; Q42-H44 VanDerWaalsContact C-N 3.34Å; Q42-H44 PolarHBondContact O-N 2.8Å; H44-S48 PolarHBondContact O-N 3.03Å; H44-S48 PolarHBondContact O-OG 2.66Å
45	M	61.9	Low	53.5	Low	11 Å²	11	80 Å²	80	5%	0.054	40%	0.404	C	S	.	.	H	α-helix	trans	-63	-43.7	168.1	-99	-147.5	-169.3	0	0	112.6	L24 N25 L28 V41 Q42 S48 K49	L24-M45 VanDerWaalsContact C-CE 3.42Å; L24-M45 HydrophobicContact CB-CE 3.9Å; L24-M45 HydrophobicContact CB-CG 4.26Å; N25-M45 VanDerWaalsContact CA-CE 3.49Å; N25-M45 HydrophobicContact CB-CE 3.95Å; N25-M45 VanDerWaalsContact N-CE 3.3Å; N25-M45 WeakPolarHBondContact ND2-CE 3.34Å; N25-M45 WeakPolarHBondContact OD1-CE 3.27Å; L28-M45 HydrophobicContact CD1-CE 3.63Å; L28-M45 HydrophobicContact CD1-CG 4.07Å; L28-M45 HydrophobicContact CD1-SD 3.7Å; V41-M45 PolarHBondContact O-N 2.91Å; Q42-M45 WeakPolarHBondContact O-CB 3.49Å; Q42-M45 PolarHBondContact O-N 2.6Å; M45-S48 PolarHBondContact O-N 3.32Å; M45-S48 PolarHBondContact O-OG 2.86Å; M45-K49 WeakPolarHBondContact O-CB 3.43Å; M45-K49 WeakPolarHBondContact O-CG 3.36Å; M45-K49 PolarHBondContact O-N 3.18Å; M45-K49 PolarHBondContact SD-NZ 2.94Å; M45-K49 VanDerWaalsContact SD-NZ 3.36Å
46	E	62	Low	51.9	Low	113 Å²	113	78.7 Å²	78.7	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-41.8	179.1	-70.4	-173	-177.9	0	0	111.2	Q42 N43 S48 K49 V50	Q42-E46 PolarHBondContact O-N 2.98Å; N43-E46 PolarHBondContact O-N 3.4Å; E46-S48 PolarHBondContact O-N 3.46Å; E46-K49 PolarHBondContact O-N 3.37Å; E46-V50 WeakPolarHBondContact O-CB 3.28Å; E46-V50 VanDerWaalsContact O-CG2 3.29Å; E46-V50 WeakPolarHBondContact O-CG2 3.23Å; E46-V50 PolarHBondContact O-N 2.94Å
47	Q	52.3	Low	50.5	Low	96 Å²	96	82.6 Å²	82.6	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-39.2	173.2	-70.5	-178.6	12.4	0	0	112.8	N43 V50 N51	N43-Q47 WeakPolarHBondContact O-CG 3.41Å; N43-Q47 PolarHBondContact O-N 3.43Å; Q47-V50 PolarHBondContact O-N 3.15Å; Q47-N51 WeakPolarHBondContact O-CB 3.4Å; Q47-N51 PolarHBondContact O-N 3.38Å; Q47-N51 PolarHBondContact O-ND2 3.46Å
48	S	46.6	Very low	49.4	Very low	24 Å²	24	84.9 Å²	84.9	17%	0.168	44%	0.437	C	S	.	.	H	α-helix	trans	-69.2	-36.3	176.1	67.4	0	0	0	0	112.8	H44 M45 E46 N51 S52	H44-S48 PolarHBondContact O-N 3.03Å; H44-S48 PolarHBondContact O-OG 2.66Å; M45-S48 PolarHBondContact O-N 3.32Å; M45-S48 PolarHBondContact O-OG 2.86Å; E46-S48 PolarHBondContact O-N 3.46Å; S48-N51 PolarHBondContact O-N 2.92Å; S48-S52 PolarHBondContact O-N 3.02Å
49	K	52.5	Low	47.5	Very low	96 Å²	96	91.5 Å²	91.5	42%	0.417	47%	0.471	S	S	.	.	H	α-helix	trans	-72.1	-28.2	173.9	-72.7	167.4	-179.2	164.9	0	113.7	M45 E46 S52	M45-K49 WeakPolarHBondContact O-CB 3.43Å; M45-K49 WeakPolarHBondContact O-CG 3.36Å; M45-K49 PolarHBondContact O-N 3.18Å; M45-K49 PolarHBondContact SD-NZ 2.94Å; M45-K49 VanDerWaalsContact SD-NZ 3.36Å; E46-K49 PolarHBondContact O-N 3.37Å; K49-S52 PolarHBondContact O-OG 3.08Å; K49-S52 VanDerWaalsContact O-OG 3.11Å
50	V	48.1	Very low	45.8	Very low	76 Å²	76	89.5 Å²	89.5	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-70.4	-48.1	169.1	168.5	0	0	0	0	110	E46 Q47 S52 K53 Y54	E46-V50 WeakPolarHBondContact O-CB 3.28Å; E46-V50 VanDerWaalsContact O-CG2 3.29Å; E46-V50 WeakPolarHBondContact O-CG2 3.23Å; E46-V50 PolarHBondContact O-N 2.94Å; Q47-V50 PolarHBondContact O-N 3.15Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 3.32Å; V50-K53 PolarHBondContact O-N 3.48Å; V50-Y54 HydrophobicContact CG1-CD2 4.04Å; V50-Y54 HydrophobicContact CG1-CE2 3.75Å; V50-Y54 WeakPolarHBondContact O-CD2 3.47Å; V50-Y54 PolarHBondContact O-N 3.46Å
51	N	39.1	Very low	44.5	Very low	35 Å²	35	92 Å²	92	19%	0.187	50%	0.496	C	S	.	.	H	α-helix	trans	-65.8	-29.9	-179.8	-75.9	-30.1	0	0	0	113.5	Q47 S48 K53 Y54 L55 N65	Q47-N51 WeakPolarHBondContact O-CB 3.4Å; Q47-N51 PolarHBondContact O-N 3.38Å; Q47-N51 PolarHBondContact O-ND2 3.46Å; S48-N51 PolarHBondContact O-N 2.92Å; N51-K53 VanDerWaalsContact C-N 3.32Å; N51-K53 PolarHBondContact O-N 3.22Å; N51-Y54 PolarHBondContact O-N 3.07Å; N51-L55 PolarHBondContact O-N 3.46Å; N51-N65 PolarHBondContact OD1-ND2 2.83Å
52	S	37.2	Very low	43	Very low	65 Å²	65	95.8 Å²	95.8	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-68.2	-27.2	174.7	72.3	0	0	0	0	113.6	S48 K49 V50	S48-S52 PolarHBondContact O-N 3.02Å; K49-S52 PolarHBondContact O-OG 3.08Å; K49-S52 VanDerWaalsContact O-OG 3.11Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 3.32Å
53	K	38.7	Very low	41.5	Very low	164 Å²	164	96.1 Å²	96.1	71%	0.713	52%	0.523	S	S	*	.	H	α-helix	trans	-71	-40.1	171.7	-87	-179.8	173.6	175	0	112.8	V50 N51 L55 S56	V50-K53 PolarHBondContact O-N 3.48Å; N51-K53 VanDerWaalsContact C-N 3.32Å; N51-K53 PolarHBondContact O-N 3.22Å; K53-L55 VanDerWaalsContact C-N 3.27Å; K53-L55 PolarHBondContact O-N 2.91Å; K53-S56 PolarHBondContact O-OG 3.48Å
54	Y	36.6	Very low	40.1	Very low	178 Å²	178	100.6 Å²	100.6	70%	0.698	53%	0.534	S	S	*	.	H	α-helix	trans	-70.9	-18.7	-178.6	-75.4	-69	0	0	0	113.9	V50 N51 S56	V50-Y54 HydrophobicContact CG1-CD2 4.04Å; V50-Y54 HydrophobicContact CG1-CE2 3.75Å; V50-Y54 WeakPolarHBondContact O-CD2 3.47Å; V50-Y54 PolarHBondContact O-N 3.46Å; N51-Y54 PolarHBondContact O-N 3.07Å; Y54-S56 PolarHBondContact O-N 3.35Å
55	L	31.8	Very low	39.2	Very low	118 Å²	118	102.4 Å²	102.4	62%	0.618	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	17.5	174.8	-77.5	165	0	0	0	115	F17 N51 K53	F17-L55 HydrophobicContact CE2-CD1 4.43Å; F17-L55 HydrophobicContact CZ-CD1 4.24Å; N51-L55 PolarHBondContact O-N 3.46Å; K53-L55 VanDerWaalsContact C-N 3.27Å; K53-L55 PolarHBondContact O-N 2.91Å
56	S	33.4	Very low	37.9	Very low	83 Å²	83	107.3 Å²	107.3	58%	0.58	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-17	-174.5	65	0	0	0	0	115.5	K53 Y54	K53-S56 PolarHBondContact O-OG 3.48Å; Y54-S56 PolarHBondContact O-N 3.35Å
57	N	29.2	Very low	36.8	Very low	130 Å²	130	106.1 Å²	106.1	70%	0.695	57%	0.565	S	S	*	*	S	Bend	trans	-148.3	156	-175.4	-75.9	-79.9	0	0	0	112.1
58	S	29.2	Very low	36.3	Very low	122 Å²	122	105.5 Å²	105.5	85%	0.853	57%	0.565	S	S	*	*	S	Bend	trans	72.9	142.1	179.4	77.6	0	0	0	0	117.4	G60	S58-G60 PolarHBondContact O-N 3.3Å
59	E	28.4	Very low	35.8	Very low	212 Å²	212	107.4 Å²	107.4	99%	0.991	57%	0.572	S	S	*	*			trans	-91.2	80.1	-177.7	-63	-178.6	127.4	0	0	110.6
60	G	30.2	Very low	35.2	Very low	58 Å²	58	106.9 Å²	106.9	60%	0.598	57%	0.573	S	S	*	*			trans	-131.7	139.6	178.2	0	0	0	0	0	112.6	S58	S58-G60 PolarHBondContact O-N 3.3Å
61	S	30.3	Very low	34.9	Very low	102 Å²	102	106.7 Å²	106.7	71%	0.713	57%	0.569	S	S	*	*			trans	-71.6	126.2	-173.5	53.2	0	0	0	0	112.9	Q63	S61-Q63 VanDerWaalsContact C-N 3.28Å; S61-Q63 PolarHBondContact O-N 2.96Å
62	P	29.2	Very low	35.1	Very low	97 Å²	97	107.6 Å²	107.6	63%	0.63	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	16	-162.8	-16.1	32.6	0	0	0	117.4
63	Q	36.3	Very low	35.2	Very low	102 Å²	102	107.8 Å²	107.8	48%	0.477	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	-40.8	-164	-71.9	-176.5	-131.9	0	0	114.2	S61 N65 I66	S61-Q63 VanDerWaalsContact C-N 3.28Å; S61-Q63 PolarHBondContact O-N 2.96Å; Q63-N65 PolarHBondContact O-N 3.41Å; Q63-I66 PolarHBondContact O-N 3.41Å
64	Y	32.1	Very low	35.3	Very low	182 Å²	182	104.9 Å²	104.9	71%	0.714	56%	0.561	S	S	*	*	H	α-helix	trans	-61.4	-22	-167.6	-122.1	-89.3	0	0	0	115.9	N68	Y64-N68 PolarHBondContact O-ND2 3.09Å
65	N	38.4	Very low	35.4	Very low	86 Å²	86	103 Å²	103	46%	0.46	56%	0.563	S	S	.	*	H	α-helix	trans	-93.1	-17.3	-171.9	-119.8	-10.6	0	0	0	114	N51 Q63 M69	N51-N65 PolarHBondContact OD1-ND2 2.83Å; Q63-N65 PolarHBondContact O-N 3.41Å; N65-M69 WeakPolarHBondContact O-CB 3.49Å; N65-M69 PolarHBondContact O-N 3.38Å
66	I	35.1	Very low	35.7	Very low	114 Å²	114	100.3 Å²	100.3	59%	0.585	55%	0.549	S	S	*	.	H	α-helix	trans	-90	-38.2	178.5	-63.2	176.2	0	0	0	110.4	Q63 M69 I70	Q63-I66 PolarHBondContact O-N 3.41Å; I66-M69 PolarHBondContact O-N 3.25Å; I66-I70 HydrophobicContact CG2-CD1 3.9Å; I66-I70 VanDerWaalsContact O-CG1 3.32Å; I66-I70 WeakPolarHBondContact O-CG1 3.33Å; I66-I70 PolarHBondContact O-N 3.43Å
67	E	37.4	Very low	36	Very low	88 Å²	88	104.9 Å²	104.9	41%	0.411	56%	0.561	S	S	.	*	H	α-helix	trans	-62.2	-45.5	173.6	-78.8	152.5	-174.7	0	0	111	M69 I70 L71	E67-M69 PolarHBondContact O-N 3.26Å; E67-I70 PolarHBondContact O-N 3.45Å; E67-I70 VanDerWaalsContact O-N 3.16Å; E67-L71 WeakPolarHBondContact O-CB 3.46Å; E67-L71 WeakPolarHBondContact O-CG 3.43Å; E67-L71 PolarHBondContact O-N 3.36Å
68	N	42	Very low	36.6	Very low	84 Å²	84	106.2 Å²	106.2	45%	0.449	56%	0.563	S	S	.	*	H	α-helix	trans	-61.9	-38	174.6	-76.9	-12.1	0	0	0	113.7	Y64 I70 L71 S72	Y64-N68 PolarHBondContact O-ND2 3.09Å; N68-I70 VanDerWaalsContact C-N 3.33Å; N68-L71 PolarHBondContact O-N 3.36Å; N68-S72 PolarHBondContact O-N 2.87Å
69	M	36.9	Very low	37.1	Very low	63 Å²	63	102.6 Å²	102.6	31%	0.31	53%	0.532	S	S	.	.	H	α-helix	trans	-71.7	-26.2	176.1	-173.7	172	-76.7	0	0	112.8	N65 I66 E67 S72 I73	N65-M69 WeakPolarHBondContact O-CB 3.49Å; N65-M69 PolarHBondContact O-N 3.38Å; I66-M69 PolarHBondContact O-N 3.25Å; E67-M69 PolarHBondContact O-N 3.26Å; M69-S72 PolarHBondContact O-OG 3.23Å; M69-I73 VanDerWaalsContact O-CD1 3.31Å; M69-I73 WeakPolarHBondContact O-CD1 3.49Å; M69-I73 WeakPolarHBondContact O-CG1 3.23Å
70	I	39.1	Very low	37.6	Very low	86 Å²	86	95.3 Å²	95.3	44%	0.441	51%	0.505	S	S	.	.	H	α-helix	trans	-79.5	-32.7	171.9	-70.3	169	0	0	0	110.9	I66 E67 N68 K74 M1506	I66-I70 HydrophobicContact CG2-CD1 3.9Å; I66-I70 VanDerWaalsContact O-CG1 3.32Å; I66-I70 WeakPolarHBondContact O-CG1 3.33Å; I66-I70 PolarHBondContact O-N 3.43Å; E67-I70 PolarHBondContact O-N 3.45Å; E67-I70 VanDerWaalsContact O-N 3.16Å; N68-I70 VanDerWaalsContact C-N 3.33Å; I70-K74 WeakPolarHBondContact O-CB 3.12Å; I70-K74 PolarHBondContact O-N 3.01Å; I70-M1506 HydrophobicContact CG2-CE 3.64Å
71	L	42.3	Very low	38.2	Very low	72 Å²	72	99.4 Å²	99.4	38%	0.377	51%	0.508	S	S	.	.	H	α-helix	trans	-73.4	-38.8	176.7	-76.5	162.7	0	0	0	112.9	E67 N68 I73 K74 N75	E67-L71 WeakPolarHBondContact O-CB 3.46Å; E67-L71 WeakPolarHBondContact O-CG 3.43Å; E67-L71 PolarHBondContact O-N 3.36Å; N68-L71 PolarHBondContact O-N 3.36Å; L71-I73 VanDerWaalsContact C-N 3.33Å; L71-I73 PolarHBondContact O-N 3.24Å; L71-K74 HydrophobicContact CD2-CD 4.28Å; L71-K74 WeakPolarHBondContact O-CA 3.2Å; L71-K74 VanDerWaalsContact O-CB 3.24Å; L71-K74 WeakPolarHBondContact O-CB 2.85Å; L71-K74 PolarHBondContact O-N 2.65Å; L71-N75 PolarHBondContact O-N 3.48Å
72	S	43.1	Very low	38.6	Very low	53 Å²	53	97.2 Å²	97.2	37%	0.371	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-40.6	176.1	64.4	0	0	0	0	112.3	N68 M69 K74 N75	N68-S72 PolarHBondContact O-N 2.87Å; M69-S72 PolarHBondContact O-OG 3.23Å; S72-K74 PolarHBondContact O-N 3.44Å; S72-N75 PolarHBondContact O-N 2.88Å
73	I	40.4	Very low	39.2	Very low	69 Å²	69	94 Å²	94	35%	0.354	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-25	174.5	-63.9	171.1	0	0	0	111.6	M69 L71 A83	M69-I73 VanDerWaalsContact O-CD1 3.31Å; M69-I73 WeakPolarHBondContact O-CD1 3.49Å; M69-I73 WeakPolarHBondContact O-CG1 3.23Å; L71-I73 VanDerWaalsContact C-N 3.33Å; L71-I73 PolarHBondContact O-N 3.24Å; I73-A83 HydrophobicContact CG2-CB 3.98Å
74	K	39.2	Very low	39.7	Very low	104 Å²	104	95 Å²	95	45%	0.452	48%	0.475	S	S	.	.	H	α-helix	trans	-77	-26.3	-177.9	-148	-178.3	179	-165.1	0	113.4	I70 L71 S72 M1506 S1508	I70-K74 WeakPolarHBondContact O-CB 3.12Å; I70-K74 PolarHBondContact O-N 3.01Å; L71-K74 HydrophobicContact CD2-CD 4.28Å; L71-K74 WeakPolarHBondContact O-CA 3.2Å; L71-K74 VanDerWaalsContact O-CB 3.24Å; L71-K74 WeakPolarHBondContact O-CB 2.85Å; L71-K74 PolarHBondContact O-N 2.65Å; S72-K74 PolarHBondContact O-N 3.44Å; K74-M1506 HydrophobicContact CD-CE 4.16Å; K74-M1506 HydrophobicContact CD-SD 4.48Å; K74-S1508 PolarHBondContact NZ-OG 3.27Å
75	N	39.2	Very low	40.5	Very low	139 Å²	139	92.6 Å²	92.6	74%	0.743	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	12.9	-170.5	-70	2.3	0	0	0	114.3	L71 S72	L71-N75 PolarHBondContact O-N 3.48Å; S72-N75 PolarHBondContact O-N 2.88Å
76	N	39.3	Very low	40.9	Very low	60 Å²	60	92.1 Å²	92.1	32%	0.321	46%	0.464	S	S	.	.			trans	-128.3	102.8	-178.7	-167.2	-16.3	0	0	0	110.5	Q78 F79	N76-Q78 PolarHBondContact O-N 3.43Å; N76-Q78 VanDerWaalsContact O-N 3.11Å; N76-F79 PolarHBondContact O-N 3.45Å
77	E	38.7	Very low	41.4	Very low	180 Å²	180	91.5 Å²	91.5	84%	0.841	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-57.4	-31.3	-172.2	-62	-170.8	129.9	0	0	113.2	F79 S80	E77-F79 PolarHBondContact O-N 2.92Å; E77-S80 WeakPolarHBondContact O-CB 3.39Å; E77-S80 PolarHBondContact O-N 2.94Å; E77-S80 PolarHBondContact O-OG 2.87Å
78	Q	41.2	Very low	42	Very low	157 Å²	157	90.6 Å²	90.6	73%	0.734	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-68.8	-14.3	178	-64.8	-172.6	-8	0	0	114	N76	N76-Q78 PolarHBondContact O-N 3.43Å; N76-Q78 VanDerWaalsContact O-N 3.11Å
79	F	41.3	Very low	42.4	Very low	46 Å²	46	91.3 Å²	91.3	20%	0.202	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-93.1	-0.3	175.4	-95.2	-95.8	0	0	0	113.9	I40 N76 E77 E81 V82 A83	I40-F79 HydrophobicContact CB-CE2 4.46Å; I40-F79 HydrophobicContact CB-CZ 4.48Å; I40-F79 HydrophobicContact CD1-CE2 4.15Å; I40-F79 HydrophobicContact CG2-CE2 3.75Å; I40-F79 HydrophobicContact CG2-CZ 3.7Å; N76-F79 PolarHBondContact O-N 3.45Å; E77-F79 PolarHBondContact O-N 2.92Å; F79-E81 VanDerWaalsContact C-N 3.26Å; F79-E81 PolarHBondContact O-N 3.27Å; F79-E81 VanDerWaalsContact O-N 3.16Å; F79-V82 HydrophobicContact CD1-CB 4.3Å; F79-V82 PolarHBondContact O-N 3.43Å; F79-A83 VanDerWaalsContact O-CB 3.3Å; F79-A83 WeakPolarHBondContact O-CB 3.43Å; F79-A83 PolarHBondContact O-N 2.87Å
80	S	38.9	Very low	42.7	Very low	60 Å²	60	92.3 Å²	92.3	42%	0.42	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.9	-169.3	72.6	0	0	0	0	115.9	E77 K84	E77-S80 WeakPolarHBondContact O-CB 3.39Å; E77-S80 PolarHBondContact O-N 2.94Å; E77-S80 PolarHBondContact O-OG 2.87Å; S80-K84 WeakPolarHBondContact O-CD 3.22Å; S80-K84 WeakPolarHBondContact O-CE 3.47Å; S80-K84 VanDerWaalsContact O-CG 3.28Å; S80-K84 WeakPolarHBondContact O-CG 3.38Å; S80-K84 PolarHBondContact O-NZ 2.67Å; S80-K84 VanDerWaalsContact O-NZ 3.14Å
81	E	42.9	Very low	43.1	Very low	144 Å²	144	89.9 Å²	89.9	67%	0.673	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-50	170	-62.4	-158.3	120.6	0	0	111.8	F79 A83 K84 E85	F79-E81 VanDerWaalsContact C-N 3.26Å; F79-E81 PolarHBondContact O-N 3.27Å; F79-E81 VanDerWaalsContact O-N 3.16Å; E81-A83 PolarHBondContact O-N 2.82Å; E81-K84 WeakPolarHBondContact O-CA 3.1Å; E81-K84 WeakPolarHBondContact O-CB 3.21Å; E81-K84 PolarHBondContact O-N 2.69Å; E81-E85 PolarHBondContact O-N 3.26Å; E81-E85 VanDerWaalsContact O-N 3.17Å
82	V	38.8	Very low	43.7	Very low	56 Å²	56	88.7 Å²	88.7	34%	0.339	44%	0.439	S	S	.	.	H	α-helix	trans	-54.4	-40.8	174.4	-174.5	0	0	0	0	111.1	F79 K84 E85 F86	F79-V82 HydrophobicContact CD1-CB 4.3Å; F79-V82 PolarHBondContact O-N 3.43Å; V82-K84 VanDerWaalsContact C-N 3.27Å; V82-K84 PolarHBondContact O-N 2.88Å; V82-E85 PolarHBondContact O-N 2.91Å; V82-F86 WeakPolarHBondContact O-CB 3.21Å; V82-F86 PolarHBondContact O-N 2.96Å
83	A	41.6	Very low	43.8	Very low	29 Å²	29	88.8 Å²	88.8	24%	0.24	44%	0.444	C	S	.	.	H	α-helix	trans	-67.5	-20.2	176.2	0	0	0	0	0	114.4	I73 F79 E81 R87	I73-A83 HydrophobicContact CG2-CB 3.98Å; F79-A83 VanDerWaalsContact O-CB 3.3Å; F79-A83 WeakPolarHBondContact O-CB 3.43Å; F79-A83 PolarHBondContact O-N 2.87Å; E81-A83 PolarHBondContact O-N 2.82Å; A83-R87 WeakPolarHBondContact O-CB 3.34Å; A83-R87 WeakPolarHBondContact O-CG 3.21Å; A83-R87 PolarHBondContact O-N 3.16Å
84	K	46.6	Very low	43.8	Very low	124 Å²	124	89.6 Å²	89.6	54%	0.539	45%	0.447	S	S	.	.	H	α-helix	trans	-79.4	-44.5	172.1	-69.3	162.9	-169.5	144	0	110.7	S80 E81 V82 R87 H88	S80-K84 WeakPolarHBondContact O-CD 3.22Å; S80-K84 WeakPolarHBondContact O-CE 3.47Å; S80-K84 VanDerWaalsContact O-CG 3.28Å; S80-K84 WeakPolarHBondContact O-CG 3.38Å; S80-K84 PolarHBondContact O-NZ 2.67Å; S80-K84 VanDerWaalsContact O-NZ 3.14Å; E81-K84 WeakPolarHBondContact O-CA 3.1Å; E81-K84 WeakPolarHBondContact O-CB 3.21Å; E81-K84 PolarHBondContact O-N 2.69Å; V82-K84 VanDerWaalsContact C-N 3.27Å; V82-K84 PolarHBondContact O-N 2.88Å; K84-R87 PolarHBondContact O-N 2.92Å; K84-H88 WeakPolarHBondContact O-CB 3.29Å; K84-H88 PolarHBondContact O-N 3.11Å
85	E	48.2	Very low	44	Very low	131 Å²	131	89 Å²	89	61%	0.612	45%	0.446	S	S	*	.	H	α-helix	trans	-63.4	-47.2	177.1	-64.8	-168.6	122.5	0	0	111.2	E81 V82 R87 H88 E89	E81-E85 PolarHBondContact O-N 3.26Å; E81-E85 VanDerWaalsContact O-N 3.17Å; V82-E85 PolarHBondContact O-N 2.91Å; E85-R87 VanDerWaalsContact C-N 3.29Å; E85-R87 PolarHBondContact O-N 2.87Å; E85-H88 WeakPolarHBondContact O-CA 3.3Å; E85-H88 VanDerWaalsContact O-CB 3.23Å; E85-H88 WeakPolarHBondContact O-CB 3.49Å; E85-H88 PolarHBondContact O-N 2.91Å; E85-E89 PolarHBondContact O-N 3.16Å
86	F	46.8	Very low	44.5	Very low	75 Å²	75	87.1 Å²	87.1	33%	0.329	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-35.9	177.9	-146.6	-104.1	0	0	0	112.7	V20 V82 I90	V20-F86 HydrophobicContact CG1-CZ 4.26Å; V20-F86 HydrophobicContact CG2-CZ 4.28Å; V82-F86 WeakPolarHBondContact O-CB 3.21Å; V82-F86 PolarHBondContact O-N 2.96Å; F86-I90 HydrophobicContact CD1-CD1 3.7Å; F86-I90 HydrophobicContact CE1-CD1 3.84Å; F86-I90 WeakPolarHBondContact O-CB 3.43Å; F86-I90 WeakPolarHBondContact O-CD1 3.41Å; F86-I90 VanDerWaalsContact O-CG1 3.27Å; F86-I90 WeakPolarHBondContact O-CG1 3.31Å; F86-I90 PolarHBondContact O-N 3.13Å
87	R	45.3	Very low	44.6	Very low	102 Å²	102	88.9 Å²	88.9	39%	0.385	44%	0.444	S	S	.	.	H	α-helix	trans	-64.4	-41.3	169.6	-85.9	-179.3	174.6	-165.9	1.1	112.2	A83 K84 E85 I91 S1505 M1506	A83-R87 WeakPolarHBondContact O-CB 3.34Å; A83-R87 WeakPolarHBondContact O-CG 3.21Å; A83-R87 PolarHBondContact O-N 3.16Å; K84-R87 PolarHBondContact O-N 2.92Å; E85-R87 VanDerWaalsContact C-N 3.29Å; E85-R87 PolarHBondContact O-N 2.87Å; R87-I91 WeakPolarHBondContact O-CB 3.2Å; R87-I91 WeakPolarHBondContact O-CD1 3.31Å; R87-I91 VanDerWaalsContact O-CG1 3.28Å; R87-I91 WeakPolarHBondContact O-CG1 3.31Å; R87-I91 PolarHBondContact O-N 2.87Å; R87-I91 VanDerWaalsContact O-N 3.12Å; R87-S1505 PolarHBondContact NH1-OG 2.86Å; R87-S1505 VanDerWaalsContact NH1-OG 3.17Å; R87-M1506 PolarHBondContact NH2-SD 2.99Å
88	H	50.6	Low	44.6	Very low	69 Å²	69	85.2 Å²	85.2	32%	0.319	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-46	-177.5	-149.7	68.8	0	0	0	111.1	K84 E85 I91 V92 K1500 Q1501	K84-H88 WeakPolarHBondContact O-CB 3.29Å; K84-H88 PolarHBondContact O-N 3.11Å; E85-H88 WeakPolarHBondContact O-CA 3.3Å; E85-H88 VanDerWaalsContact O-CB 3.23Å; E85-H88 WeakPolarHBondContact O-CB 3.49Å; E85-H88 PolarHBondContact O-N 2.91Å; H88-I91 PolarHBondContact O-N 2.85Å; H88-V92 WeakPolarHBondContact O-CG2 3.5Å; H88-V92 PolarHBondContact O-N 2.85Å; H88-K1500 PolarHBondContact NE2-NZ 3.42Å; H88-Q1501 PolarHBondContact CE1-OE1 2.83Å; H88-Q1501 PolarHBondContact ND1-OE1 3.26Å; H88-Q1501 PolarHBondContact NE2-OE1 3.42Å
89	E	50.3	Low	44.5	Very low	99 Å²	99	82.5 Å²	82.5	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-69.9	-40.5	179	-67.8	-160	125.5	0	0	113.4	H23 E85 I91 V92 A93	H23-E89 IonicContact CD2-OE2 2.81Å; H23-E89 PolarHBondContact CD2-OE2 2.73Å; H23-E89 VanDerWaalsContact CD2-OE2 3.27Å; E85-E89 PolarHBondContact O-N 3.16Å; E89-I91 VanDerWaalsContact C-N 3.25Å; E89-I91 PolarHBondContact O-N 3.36Å; E89-V92 PolarHBondContact O-N 2.96Å; E89-A93 VanDerWaalsContact O-CB 3.25Å; E89-A93 WeakPolarHBondContact O-CB 3.28Å; E89-A93 PolarHBondContact O-N 2.82Å
90	I	43.2	Very low	44.3	Very low	84 Å²	84	83.5 Å²	83.5	43%	0.431	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-39.9	174	-71.9	170.5	0	0	0	110.6	F86 M94	F86-I90 HydrophobicContact CD1-CD1 3.7Å; F86-I90 HydrophobicContact CE1-CD1 3.84Å; F86-I90 WeakPolarHBondContact O-CB 3.43Å; F86-I90 WeakPolarHBondContact O-CD1 3.41Å; F86-I90 VanDerWaalsContact O-CG1 3.27Å; F86-I90 WeakPolarHBondContact O-CG1 3.31Å; F86-I90 PolarHBondContact O-N 3.13Å; I90-M94 HydrophobicContact CG2-SD 4.23Å; I90-M94 WeakPolarHBondContact O-CB 3.44Å; I90-M94 VanDerWaalsContact O-CG 3.3Å; I90-M94 WeakPolarHBondContact O-CG 3.29Å; I90-M94 PolarHBondContact O-N 3.04Å
91	I	47.6	Very low	44	Very low	34 Å²	34	87.3 Å²	87.3	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-67.3	-47	176	-71.3	167.6	0	0	0	111.1	R87 H88 E89 A93 M94 E95 Q1501 N1502	R87-I91 WeakPolarHBondContact O-CB 3.2Å; R87-I91 WeakPolarHBondContact O-CD1 3.31Å; R87-I91 VanDerWaalsContact O-CG1 3.28Å; R87-I91 WeakPolarHBondContact O-CG1 3.31Å; R87-I91 PolarHBondContact O-N 2.87Å; R87-I91 VanDerWaalsContact O-N 3.12Å; H88-I91 PolarHBondContact O-N 2.85Å; E89-I91 VanDerWaalsContact C-N 3.25Å; E89-I91 PolarHBondContact O-N 3.36Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 3.07Å; I91-M94 PolarHBondContact O-N 2.79Å; I91-E95 HydrophobicContact CG2-CG 4.29Å; I91-E95 WeakPolarHBondContact O-CB 3.45Å; I91-E95 WeakPolarHBondContact O-CG 3.43Å; I91-E95 PolarHBondContact O-N 2.77Å; I91-Q1501 HydrophobicContact CG2-CG 4.05Å; I91-N1502 HydrophobicContact CD1-CB 4.25Å; I91-N1502 VanDerWaalsContact CD1-ND2 3.25Å; I91-N1502 WeakPolarHBondContact CD1-ND2 3.34Å; I91-N1502 VanDerWaalsContact CD1-OD1 3.23Å; I91-N1502 WeakPolarHBondContact CD1-OD1 3.32Å
92	V	54.6	Low	43.4	Very low	47 Å²	47	89.6 Å²	89.6	29%	0.285	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-38.1	177.3	168.2	0	0	0	0	111.6	H88 E89 E95 N96	H88-V92 WeakPolarHBondContact O-CG2 3.5Å; H88-V92 PolarHBondContact O-N 2.85Å; E89-V92 PolarHBondContact O-N 2.96Å; V92-E95 PolarHBondContact O-N 3.47Å; V92-N96 VanDerWaalsContact O-CB 3.29Å; V92-N96 WeakPolarHBondContact O-CB 3.38Å; V92-N96 PolarHBondContact O-N 3Å; V92-N96 PolarHBondContact O-ND2 3.27Å
93	A	44.9	Very low	43.1	Very low	56 Å²	56	94 Å²	94	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-64.3	-43.9	173.8	0	0	0	0	0	111.6	E89 I91 N96 L97	E89-A93 VanDerWaalsContact O-CB 3.25Å; E89-A93 WeakPolarHBondContact O-CB 3.28Å; E89-A93 PolarHBondContact O-N 2.82Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 3.07Å; A93-N96 PolarHBondContact O-N 2.91Å; A93-L97 WeakPolarHBondContact O-CB 3.39Å; A93-L97 PolarHBondContact O-N 2.97Å
94	M	41.1	Very low	42.6	Very low	85 Å²	85	96.9 Å²	96.9	42%	0.419	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-41.5	175.3	-74.2	-179.4	65	0	0	112.6	T2 I90 I91 L97 L98	T2-M94 HydrophobicContact CG2-CE 4.37Å; I90-M94 HydrophobicContact CG2-SD 4.23Å; I90-M94 WeakPolarHBondContact O-CB 3.44Å; I90-M94 VanDerWaalsContact O-CG 3.3Å; I90-M94 WeakPolarHBondContact O-CG 3.29Å; I90-M94 PolarHBondContact O-N 3.04Å; I91-M94 PolarHBondContact O-N 2.79Å; M94-L97 PolarHBondContact O-N 3.13Å; M94-L98 WeakPolarHBondContact O-CB 3.36Å; M94-L98 VanDerWaalsContact O-CG 3.32Å; M94-L98 WeakPolarHBondContact O-CG 3.48Å; M94-L98 PolarHBondContact O-N 3.39Å
95	E	43	Very low	41.7	Very low	92 Å²	92	98 Å²	98	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-44.2	174.8	-74.8	179.1	150.1	0	0	110.8	I91 V92 L98 M99 Q1501	I91-E95 HydrophobicContact CG2-CG 4.29Å; I91-E95 WeakPolarHBondContact O-CB 3.45Å; I91-E95 WeakPolarHBondContact O-CG 3.43Å; I91-E95 PolarHBondContact O-N 2.77Å; V92-E95 PolarHBondContact O-N 3.47Å; E95-L98 PolarHBondContact O-N 3.41Å; E95-M99 VanDerWaalsContact O-CB 3.32Å; E95-M99 WeakPolarHBondContact O-CB 3.5Å; E95-M99 WeakPolarHBondContact O-CG 3.33Å; E95-M99 PolarHBondContact O-N 2.97Å; E95-Q1501 PolarHBondContact OE2-NE2 2.92Å
96	N	49.2	Very low	40.6	Very low	100 Å²	100	97.5 Å²	97.5	54%	0.535	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-37.6	175.6	-73.7	-28.4	0	0	0	112.9	V92 A93 L98 S100	V92-N96 VanDerWaalsContact O-CB 3.29Å; V92-N96 WeakPolarHBondContact O-CB 3.38Å; V92-N96 PolarHBondContact O-N 3Å; V92-N96 PolarHBondContact O-ND2 3.27Å; A93-N96 PolarHBondContact O-N 2.91Å; N96-L98 VanDerWaalsContact C-N 3.31Å; N96-L98 PolarHBondContact O-N 3.48Å; N96-S100 WeakPolarHBondContact O-CB 3.48Å; N96-S100 PolarHBondContact O-N 3.34Å; N96-S100 PolarHBondContact O-OG 2.74Å
97	L	42.7	Very low	39.7	Very low	96 Å²	96	100.3 Å²	100.3	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-70.2	-27	176.6	-147.8	92.9	0	0	0	112.9	A93 M94	A93-L97 WeakPolarHBondContact O-CB 3.39Å; A93-L97 PolarHBondContact O-N 2.97Å; M94-L97 PolarHBondContact O-N 3.13Å
98	L	38.8	Very low	39	Very low	103 Å²	103	101.5 Å²	101.5	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-78.5	-49.5	172.1	-75	164.9	0	0	0	111	M94 E95 N96 S100 K101 W102	M94-L98 WeakPolarHBondContact O-CB 3.36Å; M94-L98 VanDerWaalsContact O-CG 3.32Å; M94-L98 WeakPolarHBondContact O-CG 3.48Å; M94-L98 PolarHBondContact O-N 3.39Å; E95-L98 PolarHBondContact O-N 3.41Å; N96-L98 VanDerWaalsContact C-N 3.31Å; N96-L98 PolarHBondContact O-N 3.48Å; L98-S100 PolarHBondContact O-N 3.45Å; L98-K101 PolarHBondContact O-N 3.3Å; L98-W102 PolarHBondContact O-N 2.94Å
99	M	38.5	Very low	37.9	Very low	100 Å²	100	103.9 Å²	103.9	49%	0.493	56%	0.555	S	S	.	*	H	α-helix	trans	-61.2	-44.1	-178.5	-74.5	-70.2	-71.8	0	0	112.7	E95 K101 W102 Q103	E95-M99 VanDerWaalsContact O-CB 3.32Å; E95-M99 WeakPolarHBondContact O-CB 3.5Å; E95-M99 WeakPolarHBondContact O-CG 3.33Å; E95-M99 PolarHBondContact O-N 2.97Å; M99-K101 PolarHBondContact O-N 2.98Å; M99-W102 PolarHBondContact O-N 2.98Å; M99-Q103 WeakPolarHBondContact O-CG 3.45Å; M99-Q103 PolarHBondContact O-N 2.97Å
100	S	36.5	Very low	36.7	Very low	68 Å²	68	105 Å²	105	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-63.3	-25.1	177.4	53.1	0	0	0	0	113.8	N96 L98	N96-S100 WeakPolarHBondContact O-CB 3.48Å; N96-S100 PolarHBondContact O-N 3.34Å; N96-S100 PolarHBondContact O-OG 2.74Å; L98-S100 PolarHBondContact O-N 3.45Å
101	K	32.7	Very low	35.9	Very low	139 Å²	139	105 Å²	105	60%	0.604	58%	0.581	S	S	*	*	H	α-helix	trans	-90.3	-16.6	171.3	-85.4	172.3	175.7	157.6	0	114.2	L98 M99 S104	L98-K101 PolarHBondContact O-N 3.3Å; M99-K101 PolarHBondContact O-N 2.98Å; K101-S104 PolarHBondContact O-OG 3.34Å
102	W	31.2	Very low	35	Very low	192 Å²	192	108.2 Å²	108.2	73%	0.727	60%	0.603	S	S	*	*	H	α-helix	trans	-81.6	-31.8	172.5	-124.6	56.5	0	0	0	111.9	L98 M99 S104	L98-W102 PolarHBondContact O-N 2.94Å; M99-W102 PolarHBondContact O-N 2.98Å; W102-S104 VanDerWaalsContact C-N 3.3Å; W102-S104 PolarHBondContact O-N 3.09Å
103	Q	30.9	Very low	33.7	Very low	148 Å²	148	114.8 Å²	114.8	69%	0.692	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-71.5	-19.9	176.9	-73.9	176.1	-31.4	0	0	113.7	M99 L105	M99-Q103 WeakPolarHBondContact O-CG 3.45Å; M99-Q103 PolarHBondContact O-N 2.97Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 2.78Å
104	S	31.4	Very low	32.8	Very low	91 Å²	91	119.2 Å²	119.2	64%	0.636	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-87.1	12.8	-179.8	69.3	0	0	0	0	115.1	K101 W102	K101-S104 PolarHBondContact O-OG 3.34Å; W102-S104 VanDerWaalsContact C-N 3.3Å; W102-S104 PolarHBondContact O-N 3.09Å
105	L	27.9	Very low	32.2	Very low	146 Å²	146	120.3 Å²	120.3	76%	0.764	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-132.6	6	-173	-85.9	167.8	0	0	0	115.2	Q103	Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 2.78Å
106	N	25.4	Very low	31.4	Very low	122 Å²	122	122.2 Å²	122.2	65%	0.652	65%	0.647	S	S	*	*			trans	-115	102.5	-179	-79	-51.7	0	0	0	112.5
107	T	27.8	Very low	30.4	Very low	134 Å²	134	120.7 Å²	120.7	82%	0.822	64%	0.643	S	S	*	*			trans	-130.4	143.9	155.1	47.7	0	0	0	0	109.7
108	P	31.3	Very low	29.6	Very low	127 Å²	127	121.3 Å²	121.3	83%	0.825	65%	0.647	S	S	*	*			trans	-121.5	113.4	-150.7	32.9	-14.9	0	0	0	114
109	T	26.4	Very low	28.9	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.724	66%	0.656	S	S	*	*			trans	-138.3	84.6	-179.3	41.4	0	0	0	0	114.7	S111	T109-S111 VanDerWaalsContact C-N 3.29Å; T109-S111 PolarHBondContact O-N 3.48Å
110	S	26.3	Very low	28.4	Very low	123 Å²	123	124.4 Å²	124.4	86%	0.86	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.1	-45.5	133.4	-156.5	0	0	0	0	122.4
111	S	26.8	Very low	27.9	Very low	84 Å²	84	126.3 Å²	126.3	59%	0.587	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-19.5	-165.7	58.7	0	0	0	0	115.5	T109	T109-S111 VanDerWaalsContact C-N 3.29Å; T109-S111 PolarHBondContact O-N 3.48Å
112	V	27.5	Very low	27.7	Very low	102 Å²	102	127.6 Å²	127.6	62%	0.618	68%	0.683	S	S	*	*	H	α-helix	trans	-77.1	-41	-178.4	-178.1	0	0	0	0	111.5	K114 N115 F116	V112-K114 VanDerWaalsContact C-N 3.26Å; V112-K114 PolarHBondContact O-N 2.78Å; V112-N115 CarbonylContact O-C 3.52Å; V112-N115 PolarHBondContact O-N 2.95Å; V112-N115 VanDerWaalsContact O-N 3.16Å; V112-F116 WeakPolarHBondContact O-CB 3.27Å; V112-F116 PolarHBondContact O-N 2.73Å
113	Y	27.5	Very low	27.3	Very low	184 Å²	184	124.5 Å²	124.5	72%	0.722	69%	0.685	S	S	*	*	H	α-helix	trans	-63.5	-29.7	-171	-129.7	-90.3	0	0	0	113.6	F116 C117	Y113-F116 CarbonylContact O-C 3.56Å; Y113-F116 PolarHBondContact O-N 2.74Å; Y113-C117 PolarHBondContact O-N 2.96Å; Y113-C117 PolarHBondContact O-SG 2.74Å
114	K	26.8	Very low	26.9	Very low	150 Å²	150	122.9 Å²	122.9	65%	0.652	68%	0.681	S	S	*	*	H	α-helix	trans	-76.8	-40.5	176.6	-155	167.6	-174	-178.7	0	112.3	V112 F116 C117 D118	V112-K114 VanDerWaalsContact C-N 3.26Å; V112-K114 PolarHBondContact O-N 2.78Å; K114-F116 PolarHBondContact O-N 2.85Å; K114-C117 PolarHBondContact O-N 3.28Å; K114-C117 VanDerWaalsContact O-N 3.13Å; K114-D118 WeakPolarHBondContact CG-OD2 2.96Å; K114-D118 WeakPolarHBondContact O-CB 3.29Å; K114-D118 PolarHBondContact O-N 2.64Å
115	N	27.1	Very low	26.5	Very low	107 Å²	107	126 Å²	126	57%	0.572	69%	0.691	S	S	*	*	H	α-helix	trans	-67.6	-14.7	168	-80.9	-64.9	0	0	0	113.6	V112 K119	V112-N115 CarbonylContact O-C 3.52Å; V112-N115 PolarHBondContact O-N 2.95Å; V112-N115 VanDerWaalsContact O-N 3.16Å; N115-K119 WeakPolarHBondContact O-CB 3.34Å
116	F	27.6	Very low	26.5	Very low	133 Å²	133	125 Å²	125	58%	0.583	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-2.2	173.6	-157.7	-94.9	0	0	0	113.1	V112 Y113 K114 V120	V112-F116 WeakPolarHBondContact O-CB 3.27Å; V112-F116 PolarHBondContact O-N 2.73Å; Y113-F116 CarbonylContact O-C 3.56Å; Y113-F116 PolarHBondContact O-N 2.74Å; K114-F116 PolarHBondContact O-N 2.85Å; F116-V120 HydrophobicContact CD1-CG2 4.5Å; F116-V120 WeakPolarHBondContact O-CB 3.48Å; F116-V120 WeakPolarHBondContact O-CG2 3.44Å
117	C	26.8	Very low	26.3	Very low	68 Å²	68	126.7 Å²	126.7	46%	0.459	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.2	-47.8	166.6	-68.4	0	0	0	0	110.2	Y113 K114 K119 V120	Y113-C117 PolarHBondContact O-N 2.96Å; Y113-C117 PolarHBondContact O-SG 2.74Å; K114-C117 PolarHBondContact O-N 3.28Å; K114-C117 VanDerWaalsContact O-N 3.13Å; C117-K119 PolarHBondContact O-N 3.09Å; C117-K119 VanDerWaalsContact O-N 3.13Å; C117-V120 PolarHBondContact O-N 3.24Å
118	D	25.8	Very low	26.2	Very low	109 Å²	109	131.7 Å²	131.7	58%	0.583	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	7.4	-177.9	-56.8	-26.4	0	0	0	113.2	K114	K114-D118 WeakPolarHBondContact CG-OD2 2.96Å; K114-D118 WeakPolarHBondContact O-CB 3.29Å; K114-D118 PolarHBondContact O-N 2.64Å
119	K	25.9	Very low	25.9	Very low	166 Å²	166	131.8 Å²	131.8	72%	0.722	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	18.2	160.8	-65.3	-168.2	171.2	-171.8	0	113.6	N115 C117	N115-K119 WeakPolarHBondContact O-CB 3.34Å; C117-K119 PolarHBondContact O-N 3.09Å; C117-K119 VanDerWaalsContact O-N 3.13Å
120	V	26.9	Very low	25.7	Very low	101 Å²	101	130.7 Å²	130.7	61%	0.612	68%	0.677	S	S	*	*	S	Bend	trans	-113.3	6.3	174.9	171.8	0	0	0	0	111.9	F116 C117	F116-V120 HydrophobicContact CD1-CG2 4.5Å; F116-V120 WeakPolarHBondContact O-CB 3.48Å; F116-V120 WeakPolarHBondContact O-CG2 3.44Å; C117-V120 PolarHBondContact O-N 3.24Å
121	T	26.7	Very low	25.7	Very low	108 Å²	108	128.1 Å²	128.1	66%	0.663	66%	0.664	S	S	*	*	S	Bend	trans	-89.4	113.4	153.1	32.7	0	0	0	0	110.7
122	L	27	Very low	25.8	Very low	166 Å²	166	130.8 Å²	130.8	87%	0.869	67%	0.665	S	S	*	*	S	Bend	trans	63	81.4	163	-54.3	171.1	0	0	0	118.2
123	V	22.9	Very low	26	Very low	127 Å²	127	131.5 Å²	131.5	77%	0.77	67%	0.67	S	S	*	*			trans	-149.5	117.9	134.5	176.3	0	0	0	0	109.8
124	D	23.1	Very low	26.7	Very low	114 Å²	114	124.9 Å²	124.9	61%	0.61	65%	0.646	S	S	*	*			trans	14.8	106.3	148.1	-40.7	-35	0	0	0	119.5	E126	D124-E126 HydrophobicContact CB-CB 4.19Å; D124-E126 HydrophobicContact CB-CG 4.15Å; D124-E126 PolarHBondContact O-N 2.89Å
125	N	24.1	Very low	27.6	Very low	156 Å²	156	119.2 Å²	119.2	83%	0.834	63%	0.625	S	S	*	*			trans	-85.3	39.7	150.4	-99.2	-20.3	0	0	0	111.6	K127	N125-K127 PolarHBondContact O-N 2.96Å
126	E	26.5	Very low	29	Very low	126 Å²	126	117.9 Å²	117.9	59%	0.589	62%	0.616	S	S	*	*			trans	-72.1	53.5	162	-66.9	-166.8	152.1	0	0	111.3	D124	D124-E126 HydrophobicContact CB-CB 4.19Å; D124-E126 HydrophobicContact CB-CG 4.15Å; D124-E126 PolarHBondContact O-N 2.89Å
127	K	22.6	Very low	30.8	Very low	157 Å²	157	111.7 Å²	111.7	68%	0.683	59%	0.589	S	S	*	*	S	Bend	trans	-159.7	133.3	163.3	-87.4	110.7	-158.1	145.9	0	108.3	N125	N125-K127 PolarHBondContact O-N 2.96Å
128	Y	24.9	Very low	33	Very low	239 Å²	239	115.6 Å²	115.6	94%	0.937	60%	0.598	S	S	*	*	S	Bend	trans	81.5	1.3	-173.2	-56.1	-68.1	0	0	0	117.8
129	L	24.2	Very low	35.6	Very low	129 Å²	129	111.6 Å²	111.6	68%	0.675	58%	0.575	S	S	*	*	S	Bend		-83.8	145.8	116.8	-84.3	74.4	0	0	0	106.9	A131	L129-A131 PolarHBondContact O-N 3.19Å
130	P	23.9	Very low	38.4	Very low	96 Å²	96	107.8 Å²	107.8	62%	0.623	57%	0.57	S	S	*	*			trans	-63	116.8	153.5	29.6	-30.2	0	0	0	106.2	F132	P130-F132 HydrophobicContact CB-CD2 3.73Å; P130-F132 HydrophobicContact CB-CE2 3.76Å; P130-F132 HydrophobicContact CG-CD2 3.91Å; P130-F132 HydrophobicContact CG-CE2 4.11Å; P130-F132 PolarHBondContact O-N 3.35Å
131	A	26	Very low	41.3	Very low	69 Å²	69	103.1 Å²	103.1	57%	0.57	54%	0.542	S	S	*	.			trans	-73.8	60.3	178.6	0	0	0	0	0	110.7	L129 T133	L129-A131 PolarHBondContact O-N 3.19Å; A131-T133 VanDerWaalsContact C-N 3.27Å; A131-T133 PolarHBondContact O-N 3.36Å
132	F	28.9	Very low	44.3	Very low	140 Å²	140	99.5 Å²	99.5	61%	0.614	52%	0.519	S	S	*	.			trans	-67.5	94.4	159.8	-72.8	-67.6	0	0	0	106.8	P130 L134	P130-F132 HydrophobicContact CB-CD2 3.73Å; P130-F132 HydrophobicContact CB-CE2 3.76Å; P130-F132 HydrophobicContact CG-CD2 3.91Å; P130-F132 HydrophobicContact CG-CE2 4.11Å; P130-F132 PolarHBondContact O-N 3.35Å; F132-L134 VanDerWaalsContact C-N 3.3Å; F132-L134 PolarHBondContact O-N 3.07Å
133	T	31.6	Very low	47.3	Very low	117 Å²	117	100.8 Å²	100.8	72%	0.718	51%	0.513	S	S	*	.			trans	-56.4	98.5	161.2	31.6	0	0	0	0	108.2	A131 S135	A131-T133 VanDerWaalsContact C-N 3.27Å; A131-T133 PolarHBondContact O-N 3.36Å; T133-S135 PolarHBondContact O-N 2.79Å; T133-S135 VanDerWaalsContact O-N 3.16Å
134	L	42.4	Very low	50.6	Low	45 Å²	45	98.9 Å²	98.9	24%	0.236	50%	0.498	C	S	.	.			trans	-45.1	123.6	156.3	-78.8	168.9	0	0	0	106.3	F132 E136	F132-L134 VanDerWaalsContact C-N 3.3Å; F132-L134 PolarHBondContact O-N 3.07Å; L134-E136 PolarHBondContact O-N 3.17Å; L134-E136 VanDerWaalsContact O-N 3.12Å
135	S	45.9	Very low	53.9	Low	30 Å²	30	93.5 Å²	93.5	21%	0.21	47%	0.469	C	S	.	.			trans	-56.9	122.3	-163.7	46.6	0	0	0	0	109.7	T133 T137 Q1289	T133-S135 PolarHBondContact O-N 2.79Å; T133-S135 VanDerWaalsContact O-N 3.16Å; S135-T137 PolarHBondContact O-N 3.37Å; S135-Q1289 PolarHBondContact O-NE2 2.88Å
136	E	55.6	Low	57.1	Low	80 Å²	80	88.7 Å²	88.7	37%	0.374	44%	0.441	S	S	.	.			trans	-58.7	99.9	-176.1	-74.1	-163.7	166.2	0	0	110.7	L134 K138 R1592 T1594	L134-E136 PolarHBondContact O-N 3.17Å; L134-E136 VanDerWaalsContact O-N 3.12Å; E136-K138 PolarHBondContact O-N 3.41Å; E136-K138 VanDerWaalsContact O-N 3.09Å; E136-R1592 IonicContact OE1-CZ 1.85Å; E136-R1592 IonicContact OE1-NH1 3.98Å; E136-R1592 PolarHBondContact OE1-NH1 3.31Å; E136-T1594 PolarHBondContact OE2-OG1 3.31Å
137	T	66.1	Low	60.2	Low	3 Å²	3	85.1 Å²	85.1	2%	0.018	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	110.7	-175.9	32.2	0	0	0	0	109.7	S135 Q1289 D1332 W1333 R1592 F1593 T1594	S135-T137 PolarHBondContact O-N 3.37Å; T137-Q1289 HydrophobicContact CG2-CG 4.47Å; T137-D1332 HydrophobicContact CG2-CB 4.07Å; T137-W1333 HydrophobicContact CG2-CZ2 4.36Å; T137-R1592 PolarHBondContact OG1-O 3.12Å; T137-F1593 VanDerWaalsContact O-CA 3.27Å; T137-F1593 WeakPolarHBondContact O-CA 3.29Å; T137-T1594 PolarHBondContact O-N 2.82Å; T137-T1594 VanDerWaalsContact O-N 3.11Å
138	K	73.2	Confident	63.5	Low	150 Å²	150	78.6 Å²	78.6	65%	0.652	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.7	175.7	-65.9	170.9	-176.5	172.7	0	108.7	E136 T1594	E136-K138 PolarHBondContact O-N 3.41Å; E136-K138 VanDerWaalsContact O-N 3.09Å; K138-T1594 WeakPolarHBondContact CA-O 3.12Å; K138-T1594 HydrophobicContact CG-CG2 4.24Å; K138-T1594 WeakPolarHBondContact CG-O 3.34Å
139	F	79.7	Confident	66.7	Low	24 Å²	24	67.2 Å²	67.2	11%	0.105	36%	0.36	C	S	.	.			trans	-131	156.8	163.2	71.1	-103.8	0	0	0	109.4	P1375 I1376 A1379 F1593 V1595 V1603	F139-P1375 HydrophobicContact CB-CB 4.08Å; F139-P1375 HydrophobicContact CD1-CB 4.42Å; F139-I1376 HydrophobicContact CE2-CD1 4.2Å; F139-I1376 HydrophobicContact CZ-CD1 4.42Å; F139-A1379 HydrophobicContact CE1-CB 4.23Å; F139-F1593 HydrophobicContact CD1-CB 4.04Å; F139-F1593 AromaticContact CD1-CD1 3.68Å; F139-F1593 HydrophobicContact CD1-CD1 3.68Å; F139-F1593 HydrophobicContact CD1-CE1 4.43Å; F139-F1593 HydrophobicContact CD1-CG 4.03Å; F139-F1593 HydrophobicContact CE1-CB 3.77Å; F139-F1593 AromaticContact CE1-CD1 3.92Å; F139-F1593 HydrophobicContact CE1-CD1 3.92Å; F139-F1593 AromaticContact CE1-CG 3.81Å; F139-F1593 HydrophobicContact CE1-CG 3.81Å; F139-V1595 HydrophobicContact CD1-CG2 3.89Å; F139-V1595 HydrophobicContact CD2-CG1 4.3Å; F139-V1595 HydrophobicContact CE1-CG2 3.53Å; F139-V1595 HydrophobicContact CE2-CG1 3.79Å; F139-V1595 HydrophobicContact CE2-CG2 4.18Å; F139-V1595 HydrophobicContact CG-CG2 4.36Å; F139-V1595 HydrophobicContact CZ-CG1 3.96Å; F139-V1595 HydrophobicContact CZ-CG2 3.68Å; F139-V1603 HydrophobicContact CE2-CG2 3.93Å; F139-V1603 HydrophobicContact CZ-CG2 4Å
140	S	83.7	Confident	69.8	Low	86 Å²	86	63.5 Å²	63.5	60%	0.601	34%	0.342	S	S	*	.			trans	-138.5	122.8	171.7	58.1	0	0	0	0	108	E1599	S140-E1599 VanDerWaalsContact CA-OE2 3.27Å; S140-E1599 WeakPolarHBondContact CA-OE2 3.39Å
141	L	87.9	Confident	73	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.339	C	S	.	.			trans	-62.1	139.2	177.5	-66.3	171.2	0	0	0	110.4	K146 I149 I1376 E1599 M1602 V1603	L141-K146 HydrophobicContact CB-CD 4.26Å; L141-K146 HydrophobicContact CB-CG 3.83Å; L141-K146 HydrophobicContact CD1-CG 4.36Å; L141-K146 WeakPolarHBondContact O-CE 3.44Å; L141-K146 PolarHBondContact O-NZ 3.27Å; L141-I149 HydrophobicContact CD1-CD1 3.95Å; L141-I1376 HydrophobicContact CD2-CD1 3.79Å; L141-I1376 HydrophobicContact CD2-CG1 4.11Å; L141-E1599 HydrophobicContact CD1-CB 4.24Å; L141-E1599 HydrophobicContact CD1-CG 4.45Å; L141-E1599 PolarHBondContact N-OE2 3.05Å; L141-M1602 HydrophobicContact CD1-CB 4.24Å; L141-M1602 HydrophobicContact CD1-SD 4.4Å; L141-V1603 HydrophobicContact CD1-CG2 4.07Å; L141-V1603 HydrophobicContact CD2-CG2 4.3Å; L141-V1603 HydrophobicContact CG-CG2 4.47Å
142	T	91.2	Very high	76.2	Confident	32 Å²	32	61.9 Å²	61.9	20%	0.196	32%	0.315	C	S	.	.			trans	-59.4	160.3	168.1	61.1	0	0	0	0	111.7	D144 S145 K146 E1643 A1646	T142-D144 VanDerWaalsContact C-N 3.29Å; T142-D144 PolarHBondContact O-N 2.84Å; T142-S145 PolarHBondContact O-N 3.4Å; T142-S145 WeakPolarHBondContact OG1-CB 3.28Å; T142-S145 PolarHBondContact OG1-N 2.86Å; T142-S145 PolarHBondContact OG1-OG 2.91Å; T142-S145 VanDerWaalsContact OG1-OG 3.09Å; T142-K146 WeakPolarHBondContact O-CG 3.34Å; T142-K146 PolarHBondContact O-N 3.22Å; T142-E1643 VanDerWaalsContact CB-OE1 3.26Å; T142-E1643 WeakPolarHBondContact CB-OE1 3.44Å; T142-E1643 VanDerWaalsContact CG2-OE1 3.3Å; T142-E1643 WeakPolarHBondContact CG2-OE1 3.29Å; T142-E1643 PolarHBondContact N-OE1 3.3Å; T142-E1643 PolarHBondContact N-OE2 3.04Å; T142-E1643 PolarHBondContact OG1-OE1 3.44Å; T142-A1646 HydrophobicContact CG2-CB 3.54Å
143	W	89.5	Confident	79	Confident	193 Å²	193	56.2 Å²	56.2	73%	0.731	29%	0.291	S	S	*	.	H	α-helix	trans	-60.8	-39	175.8	-173.8	91.3	0	0	0	111.9	K146 S147	W143-K146 PolarHBondContact O-N 3.46Å; W143-S147 WeakPolarHBondContact O-CB 3.16Å; W143-S147 PolarHBondContact O-N 3.01Å
144	D	90.7	Very high	81.7	Confident	87 Å²	87	57.5 Å²	57.5	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-39.9	177.6	-60	-47	0	0	0	112.4	T142 S148 N1642	T142-D144 VanDerWaalsContact C-N 3.29Å; T142-D144 PolarHBondContact O-N 2.84Å; D144-S148 VanDerWaalsContact O-CB 3.28Å; D144-S148 WeakPolarHBondContact O-CB 3.23Å; D144-S148 PolarHBondContact O-N 3.3Å; D144-S148 PolarHBondContact O-OG 3.47Å; D144-N1642 WeakPolarHBondContact CB-ND2 3.41Å
145	S	92.9	Very high	83.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-44.6	173.8	-69.3	0	0	0	0	111.9	T142 S148 I149 E1643	T142-S145 PolarHBondContact O-N 3.4Å; T142-S145 WeakPolarHBondContact OG1-CB 3.28Å; T142-S145 PolarHBondContact OG1-N 2.86Å; T142-S145 PolarHBondContact OG1-OG 2.91Å; T142-S145 VanDerWaalsContact OG1-OG 3.09Å; S145-S148 PolarHBondContact O-N 2.96Å; S145-I149 WeakPolarHBondContact O-CB 3.16Å; S145-I149 VanDerWaalsContact O-CG1 3.25Å; S145-I149 WeakPolarHBondContact O-CG1 3.07Å; S145-I149 PolarHBondContact O-N 2.57Å; S145-E1643 WeakPolarHBondContact CB-OE1 3.47Å; S145-E1643 PolarHBondContact OG-OE1 3.33Å
146	K	91.9	Very high	85.6	Confident	56 Å²	56	60.5 Å²	60.5	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-50.9	173.8	-78.4	160.7	166.5	144.9	0	111.2	L141 T142 W143 S148 I149 T150 E1599 M1602	L141-K146 HydrophobicContact CB-CD 4.26Å; L141-K146 HydrophobicContact CB-CG 3.83Å; L141-K146 HydrophobicContact CD1-CG 4.36Å; L141-K146 WeakPolarHBondContact O-CE 3.44Å; L141-K146 PolarHBondContact O-NZ 3.27Å; T142-K146 WeakPolarHBondContact O-CG 3.34Å; T142-K146 PolarHBondContact O-N 3.22Å; W143-K146 PolarHBondContact O-N 3.46Å; K146-S148 PolarHBondContact O-N 2.9Å; K146-I149 PolarHBondContact O-N 3.37Å; K146-T150 WeakPolarHBondContact O-CB 3.25Å; K146-T150 PolarHBondContact O-N 2.87Å; K146-T150 PolarHBondContact O-OG1 2.88Å; K146-E1599 VanDerWaalsContact CE-CG 3.5Å; K146-E1599 WeakPolarHBondContact CE-OE1 3.21Å; K146-E1599 WeakPolarHBondContact CE-OE2 3.35Å; K146-E1599 IonicContact NZ-OE1 2.84Å; K146-E1599 PolarHBondContact NZ-OE1 3.5Å; K146-E1599 IonicContact NZ-OE2 2.8Å; K146-E1599 PolarHBondContact NZ-OE2 2.92Å; K146-M1602 HydrophobicContact CG-SD 4.09Å
147	S	91	Very high	87.1	Confident	50 Å²	50	60.6 Å²	60.6	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-45.7	177.4	-174.8	0	0	0	0	111.8	W143 I149 T150 Q151	W143-S147 WeakPolarHBondContact O-CB 3.16Å; W143-S147 PolarHBondContact O-N 3.01Å; S147-I149 VanDerWaalsContact C-N 3.35Å; S147-I149 PolarHBondContact O-N 3.22Å; S147-T150 PolarHBondContact O-N 3.02Å; S147-Q151 VanDerWaalsContact O-CB 3.26Å; S147-Q151 WeakPolarHBondContact O-CB 3.15Å; S147-Q151 PolarHBondContact O-N 2.87Å
148	S	91.8	Very high	87.9	Confident	21 Å²	21	61.4 Å²	61.4	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-39.1	177.6	-61.5	0	0	0	0	113	D144 S145 K146 L152 C1635	D144-S148 VanDerWaalsContact O-CB 3.28Å; D144-S148 WeakPolarHBondContact O-CB 3.23Å; D144-S148 PolarHBondContact O-N 3.3Å; D144-S148 PolarHBondContact O-OG 3.47Å; S145-S148 PolarHBondContact O-N 2.96Å; K146-S148 PolarHBondContact O-N 2.9Å; S148-L152 WeakPolarHBondContact O-CB 3.25Å; S148-L152 PolarHBondContact O-N 2.93Å; S148-L152 VanDerWaalsContact O-N 3.11Å; S148-C1635 VanDerWaalsContact C-SG 3.59Å; S148-C1635 PolarHBondContact O-SG 3.11Å
149	I	92.1	Very high	88.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-74.3	-47.5	179.7	-66.8	164.8	0	0	0	110.6	L141 S145 K146 S147 Q151 L152 L153 M1602 L1606 V1639	L141-I149 HydrophobicContact CD1-CD1 3.95Å; S145-I149 WeakPolarHBondContact O-CB 3.16Å; S145-I149 VanDerWaalsContact O-CG1 3.25Å; S145-I149 WeakPolarHBondContact O-CG1 3.07Å; S145-I149 PolarHBondContact O-N 2.57Å; K146-I149 PolarHBondContact O-N 3.37Å; S147-I149 VanDerWaalsContact C-N 3.35Å; S147-I149 PolarHBondContact O-N 3.22Å; I149-Q151 VanDerWaalsContact C-N 3.34Å; I149-Q151 PolarHBondContact O-N 3.25Å; I149-L152 PolarHBondContact O-N 3.49Å; I149-L152 VanDerWaalsContact O-N 3.17Å; I149-L153 HydrophobicContact CG2-CD1 3.56Å; I149-L153 HydrophobicContact CG2-CG 4.26Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.25Å; I149-M1602 HydrophobicContact CD1-CB 4.49Å; I149-M1602 HydrophobicContact CG2-CB 3.84Å; I149-M1602 HydrophobicContact CG2-CG 4.04Å; I149-L1606 HydrophobicContact CD1-CD2 4.06Å; I149-L1606 HydrophobicContact CG1-CD2 4.07Å; I149-V1639 HydrophobicContact CD1-CG2 3.84Å; I149-V1639 HydrophobicContact CG1-CG2 3.79Å
150	T	90.9	Very high	88.4	Confident	50 Å²	50	59.6 Å²	59.6	31%	0.307	32%	0.32	S	S	.	.	H	α-helix	trans	-55.8	-49	174.3	-65.1	0	0	0	0	110.9	K146 S147 L152 L153 E154 M1602	K146-T150 WeakPolarHBondContact O-CB 3.25Å; K146-T150 PolarHBondContact O-N 2.87Å; K146-T150 PolarHBondContact O-OG1 2.88Å; S147-T150 PolarHBondContact O-N 3.02Å; T150-L152 VanDerWaalsContact C-N 3.31Å; T150-L152 PolarHBondContact O-N 3.07Å; T150-L153 PolarHBondContact O-N 3.35Å; T150-L153 VanDerWaalsContact O-N 3.16Å; T150-E154 HydrophobicContact CG2-CG 4.11Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.33Å; T150-E154 WeakPolarHBondContact O-CB 3.36Å; T150-E154 WeakPolarHBondContact O-CG 3.21Å; T150-E154 PolarHBondContact O-N 3.38Å; T150-M1602 WeakPolarHBondContact OG1-CE 3.23Å
151	Q	91	Very high	88.1	Confident	121 Å²	121	64 Å²	64	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-61.2	-37.3	178.4	-170.6	-176.9	22	0	0	112.5	S147 I149 N155	S147-Q151 VanDerWaalsContact O-CB 3.26Å; S147-Q151 WeakPolarHBondContact O-CB 3.15Å; S147-Q151 PolarHBondContact O-N 2.87Å; I149-Q151 VanDerWaalsContact C-N 3.34Å; I149-Q151 PolarHBondContact O-N 3.25Å; Q151-N155 PolarHBondContact O-N 3.13Å; Q151-N155 PolarHBondContact O-ND2 2.68Å
152	L	91.8	Very high	87.8	Confident	11 Å²	11	64.4 Å²	64.4	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-48.4	174.2	178.4	70.3	0	0	0	111.2	S148 I149 T150 N155 N156 L1606 A1631 V1632 C1635	S148-L152 WeakPolarHBondContact O-CB 3.25Å; S148-L152 PolarHBondContact O-N 2.93Å; S148-L152 VanDerWaalsContact O-N 3.11Å; I149-L152 PolarHBondContact O-N 3.49Å; I149-L152 VanDerWaalsContact O-N 3.17Å; T150-L152 VanDerWaalsContact C-N 3.31Å; T150-L152 PolarHBondContact O-N 3.07Å; L152-N155 PolarHBondContact O-N 3.25Å; L152-N156 WeakPolarHBondContact O-CA 3.29Å; L152-N156 WeakPolarHBondContact O-CB 3.26Å; L152-N156 PolarHBondContact O-N 3.45Å; L152-L1606 HydrophobicContact CD2-CD1 3.83Å; L152-A1631 HydrophobicContact CD1-CB 4.17Å; L152-V1632 HydrophobicContact CD1-CG2 4.09Å; L152-V1632 HydrophobicContact CD2-CG2 4.28Å; L152-C1635 HydrophobicContact CB-CB 4.16Å; L152-C1635 HydrophobicContact CD1-CB 4.37Å; L152-C1635 HydrophobicContact CD2-CB 3.8Å; L152-C1635 HydrophobicContact CG-CB 4.32Å
153	L	89.2	Confident	87	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-75.4	-32.6	-171.9	-66	171	0	0	0	113	I149 T150 N155 N156 P157 V158 E1605	I149-L153 HydrophobicContact CG2-CD1 3.56Å; I149-L153 HydrophobicContact CG2-CG 4.26Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.25Å; T150-L153 PolarHBondContact O-N 3.35Å; T150-L153 VanDerWaalsContact O-N 3.16Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N156 CarbonylContact O-C 3.56Å; L153-P157 VanDerWaalsContact O-CA 3.28Å; L153-P157 WeakPolarHBondContact O-CA 3.41Å; L153-P157 WeakPolarHBondContact O-CD 3.21Å; L153-V158 HydrophobicContact CD2-CG2 4.31Å; L153-E1605 HydrophobicContact CD1-CB 3.87Å; L153-E1605 HydrophobicContact CD2-CB 3.84Å
154	E	88.3	Confident	86	Confident	144 Å²	144	62.9 Å²	62.9	67%	0.673	33%	0.327	S	S	*	.	H	α-helix	trans	-61.5	-42	170.4	-75	174.7	165.7	0	0	111.8	T150	T150-E154 HydrophobicContact CG2-CG 4.11Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.33Å; T150-E154 WeakPolarHBondContact O-CB 3.36Å; T150-E154 WeakPolarHBondContact O-CG 3.21Å; T150-E154 PolarHBondContact O-N 3.38Å
155	N	86.3	Confident	85	Confident	111 Å²	111	61.5 Å²	61.5	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-85.4	-26.1	-178.6	-72.6	-83.1	0	0	0	113.1	Q151 L152 L153	Q151-N155 PolarHBondContact O-N 3.13Å; Q151-N155 PolarHBondContact O-ND2 2.68Å; L152-N155 PolarHBondContact O-N 3.25Å; L153-N155 VanDerWaalsContact C-N 3.35Å
156	N	84.1	Confident	84	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.144	32%	0.317	C	S	.	.	S	Bend	trans	-144.7	74.5	-176.9	-61.3	-88.2	0	0	0	110	L152 L153 K1609 Q1628	L152-N156 WeakPolarHBondContact O-CA 3.29Å; L152-N156 WeakPolarHBondContact O-CB 3.26Å; L152-N156 PolarHBondContact O-N 3.45Å; L153-N156 CarbonylContact O-C 3.56Å; N156-K1609 WeakPolarHBondContact O-CE 3.48Å; N156-K1609 PolarHBondContact O-NZ 3.28Å; N156-Q1628 WeakPolarHBondContact OD1-CG 3.44Å; N156-Q1628 PolarHBondContact OD1-NE2 2.87Å
157	P	85.8	Confident	82.7	Confident	82 Å²	82	61.2 Å²	61.2	53%	0.532	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62.6	157	177.5	25.8	-35	0	0	0	111.5	L153 T159 K1609	L153-P157 VanDerWaalsContact O-CA 3.28Å; L153-P157 WeakPolarHBondContact O-CA 3.41Å; L153-P157 WeakPolarHBondContact O-CD 3.21Å; P157-T159 PolarHBondContact O-N 3.33Å; P157-K1609 VanDerWaalsContact O-CE 3.29Å; P157-K1609 WeakPolarHBondContact O-CE 3.37Å; P157-K1609 PolarHBondContact O-NZ 2.93Å
158	V	83.5	Confident	81	Confident	20 Å²	20	61.3 Å²	61.3	12%	0.121	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-64.2	117.4	176.4	-169.5	0	0	0	0	109.2	L153 E162 K163 E1605 Q1608 K1609	L153-V158 HydrophobicContact CD2-CG2 4.31Å; V158-E162 HydrophobicContact CG1-CB 4.34Å; V158-K163 HydrophobicContact CG1-CG 3.93Å; V158-E1605 HydrophobicContact CG2-CB 3.83Å; V158-E1605 HydrophobicContact CG2-CG 4.08Å; V158-Q1608 HydrophobicContact CG1-CB 4.24Å; V158-K1609 HydrophobicContact CG2-CG 4.32Å
159	T	84.9	Confident	79.2	Confident	56 Å²	56	63 Å²	63	34%	0.344	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-79.5	150.3	-178.3	61.5	0	0	0	0	111.1	P157 R161 E162 K163	P157-T159 PolarHBondContact O-N 3.33Å; T159-R161 PolarHBondContact O-N 2.86Å; T159-R161 VanDerWaalsContact O-N 3.15Å; T159-E162 PolarHBondContact N-OE2 3.11Å; T159-E162 PolarHBondContact O-N 2.91Å; T159-E162 WeakPolarHBondContact OG1-CB 3.42Å; T159-E162 VanDerWaalsContact OG1-CG 3.22Å; T159-E162 WeakPolarHBondContact OG1-CG 3.42Å; T159-E162 PolarHBondContact OG1-N 3.19Å; T159-E162 VanDerWaalsContact OG1-N 3.17Å; T159-E162 PolarHBondContact OG1-OE2 2.9Å; T159-K163 PolarHBondContact O-N 2.85Å; T159-K163 VanDerWaalsContact O-N 3.11Å
160	P	78.3	Confident	76.9	Confident	79 Å²	79	67.3 Å²	67.3	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-55.7	-32	172.8	-26.4	35	0	0	0	112.6	K163 L164	P160-K163 PolarHBondContact O-N 2.97Å; P160-L164 WeakPolarHBondContact O-CB 3.41Å; P160-L164 PolarHBondContact O-N 3.01Å
161	R	77.7	Confident	74.5	Confident	178 Å²	178	71.9 Å²	71.9	67%	0.672	38%	0.383	S	S	*	.	H	α-helix	trans	-61.8	-44.9	172	178.1	-179.7	170.9	134.1	14.6	112.7	T159 K163 L164 E165	T159-R161 PolarHBondContact O-N 2.86Å; T159-R161 VanDerWaalsContact O-N 3.15Å; R161-K163 VanDerWaalsContact C-N 3.33Å; R161-L164 PolarHBondContact O-N 3.41Å; R161-E165 HydrophobicContact CG-CG 4.41Å; R161-E165 IonicContact CZ-OE1 2.78Å; R161-E165 VanDerWaalsContact CZ-OE1 3.23Å; R161-E165 IonicContact NE-OE1 2.78Å; R161-E165 PolarHBondContact NE-OE1 3.34Å; R161-E165 IonicContact NH2-OE1 3.89Å; R161-E165 PolarHBondContact NH2-OE1 3.17Å; R161-E165 WeakPolarHBondContact O-CB 3.27Å; R161-E165 WeakPolarHBondContact O-CG 3.31Å; R161-E165 PolarHBondContact O-N 2.84Å
162	E	80.6	Confident	72.2	Confident	13 Å²	13	68.5 Å²	68.5	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-67.9	-34	178.4	-74.6	166.2	126.8	0	0	111.9	V158 T159 L166 K1609 A1612 R1616	V158-E162 HydrophobicContact CG1-CB 4.34Å; T159-E162 PolarHBondContact N-OE2 3.11Å; T159-E162 PolarHBondContact O-N 2.91Å; T159-E162 WeakPolarHBondContact OG1-CB 3.42Å; T159-E162 VanDerWaalsContact OG1-CG 3.22Å; T159-E162 WeakPolarHBondContact OG1-CG 3.42Å; T159-E162 PolarHBondContact OG1-N 3.19Å; T159-E162 VanDerWaalsContact OG1-N 3.17Å; T159-E162 PolarHBondContact OG1-OE2 2.9Å; E162-L166 WeakPolarHBondContact O-CD1 3.42Å; E162-L166 VanDerWaalsContact O-CG 3.26Å; E162-L166 WeakPolarHBondContact O-CG 3.23Å; E162-L166 PolarHBondContact O-N 3.04Å; E162-K1609 IonicContact OE1-NZ 3.69Å; E162-K1609 PolarHBondContact OE1-NZ 3.09Å; E162-K1609 IonicContact OE2-NZ 3.87Å; E162-K1609 PolarHBondContact OE2-NZ 3.47Å; E162-A1612 HydrophobicContact CB-CB 3.95Å; E162-A1612 HydrophobicContact CG-CB 3.9Å; E162-R1616 IonicContact OE1-CZ 3.62Å; E162-R1616 IonicContact OE1-NH1 3.99Å; E162-R1616 PolarHBondContact OE1-NH1 3.11Å; E162-R1616 IonicContact OE1-NH2 2.65Å
163	K	74.1	Confident	69.6	Low	62 Å²	62	74.2 Å²	74.2	27%	0.27	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-47.7	168.9	-65.1	-171.4	169.6	-160.6	0	111.4	V158 T159 P160 R161 E165 L166 Y167 E1392	V158-K163 HydrophobicContact CG1-CG 3.93Å; T159-K163 PolarHBondContact O-N 2.85Å; T159-K163 VanDerWaalsContact O-N 3.11Å; P160-K163 PolarHBondContact O-N 2.97Å; R161-K163 VanDerWaalsContact C-N 3.33Å; K163-E165 VanDerWaalsContact C-N 3.35Å; K163-E165 PolarHBondContact O-N 2.81Å; K163-L166 WeakPolarHBondContact O-CB 3.38Å; K163-L166 PolarHBondContact O-N 3.27Å; K163-Y167 HydrophobicContact CB-CE2 4.44Å; K163-Y167 WeakPolarHBondContact O-CD2 3.34Å; K163-Y167 PolarHBondContact O-N 3.38Å; K163-E1392 WeakPolarHBondContact CD-OE1 3.28Å; K163-E1392 WeakPolarHBondContact CE-OE1 3.3Å; K163-E1392 IonicContact NZ-OE1 3.35Å; K163-E1392 PolarHBondContact NZ-OE1 3.28Å
164	L	69.7	Low	67.2	Low	132 Å²	132	75.2 Å²	75.2	69%	0.691	42%	0.419	S	S	*	.	H	α-helix	trans	-62.1	-39.3	177.6	-161.1	77.8	0	0	0	112.5	P160 R161 L166 Y167	P160-L164 WeakPolarHBondContact O-CB 3.41Å; P160-L164 PolarHBondContact O-N 3.01Å; R161-L164 PolarHBondContact O-N 3.41Å; L164-L166 PolarHBondContact O-N 2.98Å; L164-Y167 PolarHBondContact O-N 2.86Å
165	E	70	Confident	64.6	Low	57 Å²	57	78.3 Å²	78.3	27%	0.266	42%	0.424	S	S	.	.	H	α-helix	trans	-65.4	-16.8	174.8	-76.6	178.6	-178.5	0	0	113.2	R161 K163 L1615	R161-E165 HydrophobicContact CG-CG 4.41Å; R161-E165 IonicContact CZ-OE1 2.78Å; R161-E165 VanDerWaalsContact CZ-OE1 3.23Å; R161-E165 IonicContact NE-OE1 2.78Å; R161-E165 PolarHBondContact NE-OE1 3.34Å; R161-E165 IonicContact NH2-OE1 3.89Å; R161-E165 PolarHBondContact NH2-OE1 3.17Å; R161-E165 WeakPolarHBondContact O-CB 3.27Å; R161-E165 WeakPolarHBondContact O-CG 3.31Å; R161-E165 PolarHBondContact O-N 2.84Å; K163-E165 VanDerWaalsContact C-N 3.35Å; K163-E165 PolarHBondContact O-N 2.81Å; E165-L1615 WeakPolarHBondContact O-CD1 3.38Å
166	L	72.1	Confident	62.2	Low	0 Å²	0	78 Å²	78	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-96.7	-9.8	176	-70.1	167.2	0	0	0	114.1	E162 K163 L164 R1386 V1387 Q1608 H1611 L1615	E162-L166 WeakPolarHBondContact O-CD1 3.42Å; E162-L166 VanDerWaalsContact O-CG 3.26Å; E162-L166 WeakPolarHBondContact O-CG 3.23Å; E162-L166 PolarHBondContact O-N 3.04Å; K163-L166 WeakPolarHBondContact O-CB 3.38Å; K163-L166 PolarHBondContact O-N 3.27Å; L164-L166 PolarHBondContact O-N 2.98Å; L166-R1386 VanDerWaalsContact O-CA 3.29Å; L166-R1386 WeakPolarHBondContact O-CA 3.5Å; L166-R1386 VanDerWaalsContact O-CB 3.29Å; L166-R1386 WeakPolarHBondContact O-CB 3.33Å; L166-V1387 HydrophobicContact CB-CB 4.42Å; L166-V1387 HydrophobicContact CB-CG2 4.01Å; L166-V1387 HydrophobicContact CD1-CG2 4.07Å; L166-V1387 PolarHBondContact O-N 3.35Å; L166-Q1608 HydrophobicContact CD1-CB 3.85Å; L166-Q1608 HydrophobicContact CD1-CG 3.97Å; L166-H1611 HydrophobicContact CD2-CB 3.48Å; L166-H1611 VanDerWaalsContact CD2-CB 3.48Å; L166-L1615 HydrophobicContact CD2-CD1 3.94Å
167	Y	64.3	Low	60.3	Low	50 Å²	50	78.3 Å²	78.3	20%	0.196	43%	0.428	C	S	.	.	S	Bend	trans	-88.1	147.2	179.9	-80.6	-54.4	0	0	0	112.7	K163 L164 V1387 P1389 E1392	K163-Y167 HydrophobicContact CB-CE2 4.44Å; K163-Y167 WeakPolarHBondContact O-CD2 3.34Å; K163-Y167 PolarHBondContact O-N 3.38Å; L164-Y167 PolarHBondContact O-N 2.86Å; Y167-V1387 WeakPolarHBondContact CD1-O 3.29Å; Y167-V1387 HydrophobicContact CE1-CB 4.2Å; Y167-V1387 HydrophobicContact CE1-CG1 4.09Å; Y167-V1387 WeakPolarHBondContact CE1-O 3.48Å; Y167-P1389 HydrophobicContact CD1-CG 4.19Å; Y167-P1389 HydrophobicContact CE1-CB 4.37Å; Y167-P1389 HydrophobicContact CE1-CG 3.93Å; Y167-E1392 WeakPolarHBondContact OH-CG 3.2Å; Y167-E1392 PolarHBondContact OH-OE2 3.16Å
168	P	55.8	Low	58.2	Low	52 Å²	52	77.5 Å²	77.5	34%	0.338	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-59.6	135.1	163.2	-19.2	32.4	0	0	0	109.9	A170	P168-A170 PolarHBondContact O-N 2.88Å
169	P	52	Low	55.8	Low	56 Å²	56	82.6 Å²	82.6	36%	0.364	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-66.4	125.2	175.7	27.8	-33.3	0	0	0	109.9	D171 G172	P169-D171 VanDerWaalsContact C-N 3.3Å; P169-D171 PolarHBondContact O-N 3.37Å; P169-G172 PolarHBondContact O-N 3.28Å
170	A	43.8	Very low	53.6	Low	92 Å²	92	83.7 Å²	83.7	76%	0.76	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.2	-170.4	0	0	0	0	0	113.7	P168	P168-A170 PolarHBondContact O-N 2.88Å
171	D	40.6	Very low	51.9	Low	146 Å²	146	82.6 Å²	82.6	78%	0.781	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	9.4	-174.5	-48.5	-68.6	0	0	0	113.7	P169 I173	P169-D171 VanDerWaalsContact C-N 3.3Å; P169-D171 PolarHBondContact O-N 3.37Å; D171-I173 PolarHBondContact O-N 3.27Å
172	G	43.3	Very low	50	Low	49 Å²	49	76.6 Å²	76.6	51%	0.505	41%	0.411	S	S	.	.	S	Bend	trans	67.7	-19.4	-178.6	0	0	0	0	0	116.5	P169	P169-G172 PolarHBondContact O-N 3.28Å
173	I	36.5	Very low	47.8	Very low	131 Å²	131	82.9 Å²	82.9	67%	0.672	44%	0.44	S	S	*	.			trans	-114.7	80.4	-168.7	-50.8	174.6	0	0	0	111.9	D171 R175	D171-I173 PolarHBondContact O-N 3.27Å; I173-R175 HydrophobicContact CG2-CG 3.94Å; I173-R175 PolarHBondContact O-N 3.29Å
174	S	39.1	Very low	46.2	Very low	42 Å²	42	83.2 Å²	83.2	29%	0.294	44%	0.44	S	S	.	.			trans	-73.9	89.1	161.1	178.2	0	0	0	0	109.5	V176 D177	S174-V176 PolarHBondContact O-N 3.31Å; S174-D177 WeakPolarHBondContact CB-OD2 3.45Å; S174-D177 PolarHBondContact O-N 3.45Å; S174-D177 WeakPolarHBondContact OG-CB 3.45Å; S174-D177 PolarHBondContact OG-N 3.05Å; S174-D177 PolarHBondContact OG-OD2 2.97Å
175	R	34.7	Very low	44.8	Very low	210 Å²	210	78.3 Å²	78.3	79%	0.792	41%	0.412	S	S	*	.	H	α-helix	trans	-54.4	-33.1	176.4	-76.3	-173.2	172	169	-1.5	112.3	I173 V178	I173-R175 HydrophobicContact CG2-CG 3.94Å; I173-R175 PolarHBondContact O-N 3.29Å; R175-V178 PolarHBondContact O-N 2.83Å
176	V	35.8	Very low	43.2	Very low	104 Å²	104	80.5 Å²	80.5	63%	0.63	42%	0.421	S	S	*	.	H	α-helix	trans	-74.2	-36.2	-176.5	-173.7	0	0	0	0	112.8	S174 V178 I180	S174-V176 PolarHBondContact O-N 3.31Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.4Å; V176-I180 HydrophobicContact CG1-CD1 4.3Å
177	D	43.2	Very low	41.7	Very low	33 Å²	33	83.7 Å²	83.7	18%	0.176	45%	0.454	C	S	.	.	H	α-helix	trans	-68.1	-27	176.2	-82.2	-73.2	0	0	0	112.4	S174 E179 I180 R181 K1619	S174-D177 WeakPolarHBondContact CB-OD2 3.45Å; S174-D177 PolarHBondContact O-N 3.45Å; S174-D177 WeakPolarHBondContact OG-CB 3.45Å; S174-D177 PolarHBondContact OG-N 3.05Å; S174-D177 PolarHBondContact OG-OD2 2.97Å; D177-E179 VanDerWaalsContact C-N 3.32Å; D177-E179 PolarHBondContact O-N 2.79Å; D177-I180 PolarHBondContact O-N 3.33Å; D177-R181 WeakPolarHBondContact O-CB 3.49Å; D177-R181 WeakPolarHBondContact O-CD 3.48Å; D177-R181 WeakPolarHBondContact O-CG 3.29Å; D177-R181 PolarHBondContact O-N 2.86Å; D177-K1619 IonicContact OD1-NZ 3.17Å; D177-K1619 PolarHBondContact OD1-NZ 3.03Å; D177-K1619 IonicContact OD2-NZ 3.7Å
178	V	41.5	Very low	40.6	Very low	65 Å²	65	83.1 Å²	83.1	39%	0.394	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-36.1	-177.8	177.4	0	0	0	0	112.1	R175 V176 R181 K182	R175-V178 PolarHBondContact O-N 2.83Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.4Å; V178-R181 WeakPolarHBondContact O-CB 3.19Å; V178-K182 HydrophobicContact CG1-CD 4.25Å; V178-K182 WeakPolarHBondContact O-CD 3.26Å; V178-K182 WeakPolarHBondContact O-CG 3.15Å; V178-K182 PolarHBondContact O-N 3.13Å
179	E	33.8	Very low	40.1	Very low	128 Å²	128	84.8 Å²	84.8	60%	0.598	47%	0.465	S	S	*	.	H	α-helix	trans	-79.9	-41.1	178.8	-63.3	-174	146.7	0	0	112.4	D177 R181 K182 E183	D177-E179 VanDerWaalsContact C-N 3.32Å; D177-E179 PolarHBondContact O-N 2.79Å; E179-R181 PolarHBondContact O-N 2.88Å; E179-K182 HydrophobicContact CG-CD 4.48Å; E179-K182 WeakPolarHBondContact O-CA 3.46Å; E179-K182 WeakPolarHBondContact O-CB 3.48Å; E179-K182 PolarHBondContact O-N 2.64Å; E179-E183 PolarHBondContact O-N 3.03Å
180	I	38.6	Very low	40	Very low	78 Å²	78	82.7 Å²	82.7	40%	0.4	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-27.3	174.3	-58.8	172.8	0	0	0	111.1	V176 D177 R184	V176-I180 HydrophobicContact CG1-CD1 4.3Å; D177-I180 PolarHBondContact O-N 3.33Å; I180-R184 VanDerWaalsContact O-CG 3.24Å; I180-R184 WeakPolarHBondContact O-CG 3.18Å; I180-R184 PolarHBondContact O-NE 3.29Å; I180-R184 VanDerWaalsContact O-NE 3.1Å
181	R	42.9	Very low	40.8	Very low	56 Å²	56	80.3 Å²	80.3	21%	0.211	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-62.5	164.7	-82.1	166.6	-173.7	166.5	1.1	110	D177 V178 E179 E183 R184 Y185 E1131	D177-R181 WeakPolarHBondContact O-CB 3.49Å; D177-R181 WeakPolarHBondContact O-CD 3.48Å; D177-R181 WeakPolarHBondContact O-CG 3.29Å; D177-R181 PolarHBondContact O-N 2.86Å; V178-R181 WeakPolarHBondContact O-CB 3.19Å; E179-R181 PolarHBondContact O-N 2.88Å; R181-E183 PolarHBondContact O-N 3.15Å; R181-R184 PolarHBondContact O-N 3.23Å; R181-Y185 VanDerWaalsContact C-CD1 3.41Å; R181-Y185 VanDerWaalsContact C-CG 3.46Å; R181-Y185 HydrophobicContact CB-CD1 4.29Å; R181-Y185 HydrophobicContact CB-CE1 3.63Å; R181-Y185 HydrophobicContact CB-CE2 3.89Å; R181-Y185 VanDerWaalsContact CB-CZ 3.43Å; R181-Y185 HydrophobicContact CG-CE2 4.24Å; R181-Y185 WeakPolarHBondContact O-CB 3.2Å; R181-Y185 WeakPolarHBondContact O-CD1 3.32Å; R181-Y185 WeakPolarHBondContact O-CD2 3.09Å; R181-Y185 PolarHBondContact O-N 2.87Å; R181-E1131 IonicContact CZ-OE1 2.83Å; R181-E1131 IonicContact NE-OE1 2.71Å; R181-E1131 PolarHBondContact NE-OE1 3.48Å; R181-E1131 IonicContact NH2-OE1 2.7Å; R181-E1131 PolarHBondContact NH2-OE1 3.5Å
182	K	37.7	Very low	42.1	Very low	53 Å²	53	73.6 Å²	73.6	23%	0.23	39%	0.389	C	S	.	.	H	α-helix	trans	-46.2	-30.5	179.7	-76.6	163.6	159.6	-163.3	0	115.9	V178 E179 G375 D376 T377	V178-K182 HydrophobicContact CG1-CD 4.25Å; V178-K182 WeakPolarHBondContact O-CD 3.26Å; V178-K182 WeakPolarHBondContact O-CG 3.15Å; V178-K182 PolarHBondContact O-N 3.13Å; E179-K182 HydrophobicContact CG-CD 4.48Å; E179-K182 WeakPolarHBondContact O-CA 3.46Å; E179-K182 WeakPolarHBondContact O-CB 3.48Å; E179-K182 PolarHBondContact O-N 2.64Å; K182-G375 PolarHBondContact NZ-O 3.41Å; K182-D376 WeakPolarHBondContact CD-O 3.36Å; K182-D376 WeakPolarHBondContact CE-O 3.35Å; K182-D376 WeakPolarHBondContact CG-O 3.4Å; K182-D376 PolarHBondContact NZ-O 3Å; K182-T377 VanDerWaalsContact CB-O 3.25Å; K182-T377 WeakPolarHBondContact CB-O 3.4Å; K182-T377 WeakPolarHBondContact CG-O 3.49Å
183	E	35.3	Very low	43.1	Very low	144 Å²	144	76.9 Å²	76.9	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-71.6	-62.8	175.3	-70.9	-153.6	122.7	0	0	114.4	E179 R181 Y185 K186	E179-E183 PolarHBondContact O-N 3.03Å; R181-E183 PolarHBondContact O-N 3.15Å; E183-Y185 PolarHBondContact O-N 3.44Å; E183-Y185 VanDerWaalsContact O-N 3.1Å; E183-K186 WeakPolarHBondContact O-CB 3.13Å; E183-K186 PolarHBondContact O-N 2.91Å
184	R	40.5	Very low	44.3	Very low	70 Å²	70	73.7 Å²	73.7	26%	0.264	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-21	-178.3	33.5	177.8	165.9	127.9	-1	112.5	I180 R181 K186 E1131 K1619	I180-R184 VanDerWaalsContact O-CG 3.24Å; I180-R184 WeakPolarHBondContact O-CG 3.18Å; I180-R184 PolarHBondContact O-NE 3.29Å; I180-R184 VanDerWaalsContact O-NE 3.1Å; R181-R184 PolarHBondContact O-N 3.23Å; R184-K186 VanDerWaalsContact C-N 3.26Å; R184-K186 PolarHBondContact O-N 3.38Å; R184-E1131 IonicContact CZ-OE2 3.17Å; R184-E1131 IonicContact NH1-OE2 2.73Å; R184-E1131 PolarHBondContact NH1-OE2 3.01Å; R184-E1131 IonicContact NH2-OE2 2.65Å; R184-E1131 PolarHBondContact NH2-OE2 3.41Å; R184-E1131 VanDerWaalsContact NH2-OE2 3.13Å; R184-K1619 VanDerWaalsContact CD-O 3.27Å; R184-K1619 WeakPolarHBondContact CD-O 3.49Å; R184-K1619 PolarHBondContact NE-O 2.91Å; R184-K1619 VanDerWaalsContact NE-O 3.14Å; R184-K1619 PolarHBondContact NH1-O 3.14Å
185	Y	40.3	Very low	45.5	Very low	29 Å²	29	72.3 Å²	72.3	11%	0.114	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.3	169.6	-72.4	-177.8	0	0	0	114.7	R181 E183 G187 R191 K379	R181-Y185 VanDerWaalsContact C-CD1 3.41Å; R181-Y185 VanDerWaalsContact C-CG 3.46Å; R181-Y185 HydrophobicContact CB-CD1 4.29Å; R181-Y185 HydrophobicContact CB-CE1 3.63Å; R181-Y185 HydrophobicContact CB-CE2 3.89Å; R181-Y185 VanDerWaalsContact CB-CZ 3.43Å; R181-Y185 HydrophobicContact CG-CE2 4.24Å; R181-Y185 WeakPolarHBondContact O-CB 3.2Å; R181-Y185 WeakPolarHBondContact O-CD1 3.32Å; R181-Y185 WeakPolarHBondContact O-CD2 3.09Å; R181-Y185 PolarHBondContact O-N 2.87Å; E183-Y185 PolarHBondContact O-N 3.44Å; E183-Y185 VanDerWaalsContact O-N 3.1Å; Y185-G187 PolarHBondContact O-N 2.81Å; Y185-R191 PolarHBondContact O-NH2 3.05Å; Y185-K379 VanDerWaalsContact CB-N 3.34Å; Y185-K379 HydrophobicContact CD1-CB 3.43Å; Y185-K379 VanDerWaalsContact CD1-CB 3.43Å; Y185-K379 HydrophobicContact CD1-CG 4.17Å; Y185-K379 HydrophobicContact CD2-CB 3.63Å; Y185-K379 HydrophobicContact CD2-CD 3.75Å; Y185-K379 HydrophobicContact CD2-CG 3.38Å; Y185-K379 HydrophobicContact CE1-CB 3.61Å; Y185-K379 HydrophobicContact CE1-CD 4.49Å; Y185-K379 HydrophobicContact CE1-CG 4.28Å; Y185-K379 HydrophobicContact CE2-CB 3.86Å; Y185-K379 HydrophobicContact CE2-CD 3.38Å; Y185-K379 HydrophobicContact CE2-CG 3.57Å; Y185-K379 HydrophobicContact CG-CB 3.38Å; Y185-K379 HydrophobicContact CG-CD 4.44Å; Y185-K379 HydrophobicContact CG-CG 3.68Å
186	K	36.1	Very low	47.5	Very low	102 Å²	102	67.3 Å²	67.3	44%	0.443	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19.8	-172.6	-68.5	173.8	-178.7	-176.4	0	115.7	E183 R184 T188 T377 D378	E183-K186 WeakPolarHBondContact O-CB 3.13Å; E183-K186 PolarHBondContact O-N 2.91Å; R184-K186 VanDerWaalsContact C-N 3.26Å; R184-K186 PolarHBondContact O-N 3.38Å; K186-T188 PolarHBondContact O-N 3.49Å; K186-T377 WeakPolarHBondContact CE-OG1 3.37Å; K186-T377 PolarHBondContact NZ-OG1 2.8Å; K186-D378 WeakPolarHBondContact CA-OD2 3.24Å; K186-D378 HydrophobicContact CB-CB 4.41Å; K186-D378 HydrophobicContact CG-CB 3.57Å
187	G	39.6	Very low	49.8	Very low	68 Å²	68	63.9 Å²	63.9	70%	0.701	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-84.9	6	-163.9	0	0	0	0	0	117.4	Y185	Y185-G187 PolarHBondContact O-N 2.81Å
188	T	41.8	Very low	51.9	Low	38 Å²	38	66 Å²	66	23%	0.233	36%	0.363	C	S	.	.			trans	-104.2	124.7	-154.4	59.9	0	0	0	0	116.2	K186 G190 S380	K186-T188 PolarHBondContact O-N 3.49Å; T188-G190 PolarHBondContact O-N 2.73Å; T188-S380 WeakPolarHBondContact CG2-OG 3.24Å; T188-S380 WeakPolarHBondContact OG1-CB 3.34Å
189	T	44.5	Very low	54.2	Low	86 Å²	86	67 Å²	67	53%	0.528	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	112.1	179.1	50.6	0	0	0	0	113.7	L306	T189-L306 WeakPolarHBondContact OG1-CD2 3.33Å
190	G	50	Low	56.7	Low	13 Å²	13	61 Å²	61	13%	0.134	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	147.2	6.7	166.8	0	0	0	0	0	118.4	T188	T188-G190 PolarHBondContact O-N 2.73Å
191	R	61.2	Low	59	Low	41 Å²	41	60 Å²	60	16%	0.155	34%	0.336	C	S	.	.	S	Bend	trans	-87.2	160.5	176.8	-54.4	-167.5	-155.3	152.3	14.3	112.2	Y185 M193 Q303 D378	Y185-R191 PolarHBondContact O-NH2 3.05Å; R191-M193 PolarHBondContact O-N 3.37Å; R191-Q303 WeakPolarHBondContact O-CG 3.48Å; R191-Q303 PolarHBondContact O-OE1 2.91Å; R191-D378 IonicContact CZ-OD2 2.13Å; R191-D378 PolarHBondContact NH1-O 3.17Å; R191-D378 IonicContact NH1-OD1 2.66Å; R191-D378 PolarHBondContact NH1-OD1 3.17Å; R191-D378 IonicContact NH1-OD2 4Å; R191-D378 PolarHBondContact NH1-OD2 3.05Å; R191-D378 PolarHBondContact NH2-O 3.46Å; R191-D378 IonicContact NH2-OD2 2.88Å; R191-D378 PolarHBondContact NH2-OD2 3.02Å
192	L	67.3	Low	60.7	Low	5 Å²	5	60 Å²	60	3%	0.026	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.8	125.4	168.7	-65.2	166.8	0	0	0	110.4	I272 Q303 T317 C319 V323 L324 T327	L192-I272 HydrophobicContact CD1-CD1 3.77Å; L192-I272 HydrophobicContact CD1-CG1 4.17Å; L192-I272 HydrophobicContact CD1-CG2 3.83Å; L192-Q303 HydrophobicContact CD2-CB 3.78Å; L192-Q303 HydrophobicContact CD2-CG 4.14Å; L192-T317 HydrophobicContact CD2-CG2 3.51Å; L192-C319 HydrophobicContact CD2-CB 4.03Å; L192-V323 HydrophobicContact CD2-CG1 4.29Å; L192-V323 HydrophobicContact CG-CG1 4.04Å; L192-L324 HydrophobicContact CD1-CD1 4.29Å; L192-T327 HydrophobicContact CB-CG2 3.89Å; L192-T327 HydrophobicContact CD1-CG2 4.12Å; L192-T327 HydrophobicContact CG-CG2 4.36Å; L192-T327 PolarHBondContact N-OG1 2.98Å
193	M	65.7	Low	62.4	Low	118 Å²	118	58 Å²	58	58%	0.581	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-62.6	135.3	174.5	-65.1	-65.5	-67.3	0	0	110.7	R191 T195 R270 V310	R191-M193 PolarHBondContact O-N 3.37Å; M193-T195 PolarHBondContact O-N 3.05Å; M193-R270 PolarHBondContact O-NH2 2.9Å; M193-V310 HydrophobicContact CB-CG1 4.18Å; M193-V310 HydrophobicContact CG-CG1 4.43Å
194	G	60.2	Low	63.7	Low	64 Å²	64	54.2 Å²	54.2	66%	0.66	33%	0.326	S	S	*	.			trans	-68	96.1	172.9	0	0	0	0	0	111.3
195	T	65.8	Low	64.5	Low	14 Å²	14	53.2 Å²	53.2	9%	0.086	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-100.3	142	171.4	54.2	0	0	0	0	110.1	M193 R270 T314	M193-T195 PolarHBondContact O-N 3.05Å; T195-R270 WeakPolarHBondContact O-CD 3.29Å; T195-R270 PolarHBondContact O-NE 3.45Å; T195-R270 WeakPolarHBondContact OG1-CD 3.22Å; T195-R270 PolarHBondContact OG1-NE 2.89Å; T195-T314 PolarHBondContact OG1-O 3.17Å
196	V	76.2	Confident	64.9	Low	105 Å²	105	55.4 Å²	55.4	64%	0.636	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-77.5	133.9	173.8	-179.5	0	0	0	0	108.3	Q198	V196-Q198 WeakPolarHBondContact O-CG 3.39Å; V196-Q198 PolarHBondContact O-N 3.01Å; V196-Q198 PolarHBondContact O-NE2 2.68Å
197	P	83.5	Confident	65.1	Low	31 Å²	31	59.8 Å²	59.8	20%	0.201	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.6	130.7	176.4	24.7	-33.2	0	0	0	110.9	R268 C269 R270 G337 T339	P197-R268 HydrophobicContact CB-CB 4.32Å; P197-C269 VanDerWaalsContact CA-O 3.26Å; P197-C269 WeakPolarHBondContact CA-O 3.43Å; P197-C269 WeakPolarHBondContact CB-O 3.38Å; P197-R270 HydrophobicContact CB-CB 3.95Å; P197-G337 WeakPolarHBondContact CD-O 3.39Å; P197-T339 HydrophobicContact CB-CG2 4.43Å
198	Q	87.8	Confident	64.9	Low	77 Å²	77	61.8 Å²	61.8	36%	0.36	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-127.3	158.9	-174.8	-69.1	154.3	71.5	0	0	109.6	V196 P200 R268 C269 P312 L315	V196-Q198 WeakPolarHBondContact O-CG 3.39Å; V196-Q198 PolarHBondContact O-N 3.01Å; V196-Q198 PolarHBondContact O-NE2 2.68Å; Q198-P200 WeakPolarHBondContact O-CD 3.49Å; Q198-R268 CarbonylContact O-C 3.21Å; Q198-R268 WeakPolarHBondContact O-CA 3.42Å; Q198-C269 PolarHBondContact N-O 3.15Å; Q198-C269 PolarHBondContact O-N 2.9Å; Q198-P312 PolarHBondContact NE2-O 3.35Å; Q198-P312 VanDerWaalsContact NE2-O 3.13Å; Q198-L315 HydrophobicContact CB-CD1 4.11Å; Q198-L315 HydrophobicContact CB-CD2 3.82Å; Q198-L315 HydrophobicContact CG-CD2 4.31Å
199	I	89.3	Confident	64.6	Low	87 Å²	87	65 Å²	65	45%	0.446	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67.4	123	168.3	-54.4	177.4	0	0	0	106.5	G266 R268	I199-G266 VanDerWaalsContact CD1-O 3.28Å; I199-G266 WeakPolarHBondContact CD1-O 3.13Å; I199-G266 WeakPolarHBondContact CG1-O 3.39Å; I199-R268 HydrophobicContact CG1-CG 3.94Å
200	P	87.3	Confident	63.9	Low	2 Å²	2	68.4 Å²	68.4	1%	0.013	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-68.3	149.9	-176.6	23.3	-28.1	0	0	0	111.8	Q198 V259 C262 Y263 L315	Q198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-V259 HydrophobicContact CB-CG1 3.63Å; P200-V259 HydrophobicContact CG-CG1 4.07Å; P200-V259 WeakPolarHBondContact CG-O 3.25Å; P200-C262 HydrophobicContact CG-CB 3.88Å; P200-Y263 VanDerWaalsContact O-CD2 3.25Å; P200-Y263 WeakPolarHBondContact O-CD2 3.47Å; P200-L315 HydrophobicContact CB-CD1 3.85Å
201	P	85.1	Confident	62.9	Low	56 Å²	56	77.2 Å²	77.2	36%	0.364	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70.3	151.6	174.8	30.4	-34.5	0	0	0	111.1	R292 T299	P201-R292 PolarHBondContact O-NH2 3.29Å; P201-T299 HydrophobicContact CG-CG2 4.25Å; P201-T299 WeakPolarHBondContact CG-OG1 3.12Å
202	P	80.2	Confident	61.7	Low	57 Å²	57	76.9 Å²	76.9	37%	0.37	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.6	142.2	169.6	23.8	-32.2	0	0	0	110.3	S204 Y263	P202-S204 PolarHBondContact O-N 3.39Å; P202-Y263 HydrophobicContact CB-CD1 4.32Å; P202-Y263 HydrophobicContact CB-CE1 3.72Å; P202-Y263 HydrophobicContact CB-CE2 4.17Å; P202-Y263 HydrophobicContact CG-CE2 4.27Å
203	S	71.8	Confident	60.1	Low	12 Å²	12	84.4 Å²	84.4	8%	0.084	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-62.9	136.1	174.5	53.8	0	0	0	0	110.5	I205 Q206	S203-I205 PolarHBondContact O-N 3.12Å; S203-Q206 PolarHBondContact O-N 3.19Å
204	S	63.6	Low	58.5	Low	64 Å²	64	86.5 Å²	86.5	45%	0.448	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-56.6	-25.6	-171.5	-45.8	0	0	0	0	113.1	P202 R292	P202-S204 PolarHBondContact O-N 3.39Å; S204-R292 WeakPolarHBondContact CB-O 3.23Å; S204-R292 PolarHBondContact N-O 3.34Å; S204-R292 VanDerWaalsContact N-O 3.15Å; S204-R292 PolarHBondContact OG-O 2.88Å
205	I	57.7	Low	57.4	Low	48 Å²	48	92.1 Å²	92.1	25%	0.246	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-72.8	-24.4	-177.2	-62.5	-169.6	0	0	0	113.1	S203 K207 N208 T212 I291	S203-I205 PolarHBondContact O-N 3.12Å; I205-K207 PolarHBondContact O-N 3.44Å; I205-N208 PolarHBondContact O-N 3.22Å; I205-T212 HydrophobicContact CG2-CG2 3.69Å; I205-I291 WeakPolarHBondContact CD1-O 3.33Å
206	Q	48.2	Very low	56.2	Low	75 Å²	75	97.1 Å²	97.1	35%	0.35	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-57.8	-23.9	-179	-75.9	-176.5	-13.1	0	0	113.6	S203 N208	S203-Q206 PolarHBondContact O-N 3.19Å; Q206-N208 VanDerWaalsContact C-N 3.31Å; Q206-N208 PolarHBondContact O-N 2.94Å
207	K	40.3	Very low	54.4	Low	195 Å²	195	95 Å²	95	85%	0.848	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-76.2	-10.5	176.4	-67.6	-172.3	177.1	-178.1	0	114.9	I205	I205-K207 PolarHBondContact O-N 3.44Å
208	N	35	Very low	52.4	Low	110 Å²	110	99.3 Å²	99.3	59%	0.588	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-123.9	34.4	-178.8	-78.3	-29.8	0	0	0	112.6	I205 Q206 H210 W211	I205-N208 PolarHBondContact O-N 3.22Å; Q206-N208 VanDerWaalsContact C-N 3.31Å; Q206-N208 PolarHBondContact O-N 2.94Å; N208-H210 PolarHBondContact O-N 2.85Å; N208-W211 PolarHBondContact O-N 3.46Å; N208-W211 VanDerWaalsContact O-N 3.09Å
209	L	35	Very low	50.4	Low	104 Å²	104	100.9 Å²	100.9	55%	0.545	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-11.1	-171.4	-139.2	77.9	0	0	0	116.2
210	H	30.7	Very low	48.5	Very low	158 Å²	158	99 Å²	99	73%	0.731	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.3	-178.4	-148	-53.7	0	0	0	114.3	N208	N208-H210 PolarHBondContact O-N 2.85Å
211	W	28.6	Very low	46.9	Very low	198 Å²	198	102.4 Å²	102.4	75%	0.75	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-11.3	-178.7	-76	90.5	0	0	0	114	N208	N208-W211 PolarHBondContact O-N 3.46Å; N208-W211 VanDerWaalsContact O-N 3.09Å
212	T	36.5	Very low	45.9	Very low	35 Å²	35	101.4 Å²	101.4	22%	0.215	50%	0.498	C	S	.	.	S	Bend	trans	-93	-32.6	-179.2	36.9	0	0	0	0	113.9	I205 E214 K215 Y216	I205-T212 HydrophobicContact CG2-CG2 3.69Å; T212-E214 PolarHBondContact O-N 3.26Å; T212-E214 VanDerWaalsContact O-N 3.1Å; T212-K215 PolarHBondContact O-N 3.46Å; T212-K215 VanDerWaalsContact O-N 3.12Å; T212-Y216 VanDerWaalsContact O-CD2 3.22Å; T212-Y216 WeakPolarHBondContact O-CD2 3.27Å
213	K	33	Very low	45.4	Very low	162 Å²	162	98.9 Å²	98.9	70%	0.704	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.1	-180	-75.4	-167.6	172.4	-169.9	0	114.6
214	E	32.7	Very low	45.2	Very low	162 Å²	162	101.3 Å²	101.3	76%	0.757	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.3	-179.9	-61.3	-175.3	150.2	0	0	114.1	T212	T212-E214 PolarHBondContact O-N 3.26Å; T212-E214 VanDerWaalsContact O-N 3.1Å
215	K	37.7	Very low	45.6	Very low	182 Å²	182	103.5 Å²	103.5	79%	0.791	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-16.4	178.3	-89.2	-167.9	172.9	-174.7	0	115.4	T212	T212-K215 PolarHBondContact O-N 3.46Å; T212-K215 VanDerWaalsContact O-N 3.12Å
216	Y	39.4	Very low	46.6	Very low	119 Å²	119	101.8 Å²	101.8	47%	0.467	49%	0.493	S	S	.	.	S	Bend	trans	-86.2	119	175	-61.7	-63.7	0	0	0	109.5	T212 E220	T212-Y216 VanDerWaalsContact O-CD2 3.22Å; T212-Y216 WeakPolarHBondContact O-CD2 3.27Å; Y216-E220 WeakPolarHBondContact CD1-OE2 3.35Å
217	T	39.2	Very low	48.3	Very low	60 Å²	60	101.1 Å²	101.1	37%	0.368	49%	0.487	S	S	.	.			trans	-71.2	149.5	174.9	40.2	0	0	0	0	110.3	E219 E220 N1047	T217-E219 PolarHBondContact O-N 2.86Å; T217-E220 PolarHBondContact O-N 3.16Å; T217-N1047 PolarHBondContact OG1-OD1 3.45Å
218	S	42.4	Very low	50.3	Low	122 Å²	122	100.1 Å²	100.1	85%	0.853	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	8.9	-169.6	59.5	0	0	0	0	116.5
219	E	45.3	Very low	52.8	Low	111 Å²	111	100.3 Å²	100.3	52%	0.519	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-3.5	174.4	-57.4	-160.7	139.1	0	0	112.5	T217 N221 R545	T217-E219 PolarHBondContact O-N 2.86Å; E219-N221 VanDerWaalsContact C-N 3.27Å; E219-N221 PolarHBondContact O-N 3.04Å; E219-R545 WeakPolarHBondContact OE1-CD 3.36Å; E219-R545 IonicContact OE1-CZ 3.56Å; E219-R545 IonicContact OE1-NH1 3.21Å; E219-R545 PolarHBondContact OE1-NH1 3.05Å
220	E	49.3	Very low	55.2	Low	48 Å²	48	95.4 Å²	95.4	22%	0.224	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.2	175.6	-60	-155.6	99.9	0	0	113.4	Y216 T217 K1046	Y216-E220 WeakPolarHBondContact CD1-OE2 3.35Å; T217-E220 PolarHBondContact O-N 3.16Å; E220-K1046 WeakPolarHBondContact OE1-CD 3.42Å; E220-K1046 IonicContact OE1-NZ 3.37Å; E220-K1046 PolarHBondContact OE1-NZ 3.02Å
221	N	54.1	Low	58.1	Low	72 Å²	72	88.7 Å²	88.7	39%	0.385	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.9	-174.1	-137.4	70.7	0	0	0	114.6	E219 V223 D224 D225	E219-N221 VanDerWaalsContact C-N 3.27Å; E219-N221 PolarHBondContact O-N 3.04Å; N221-V223 PolarHBondContact O-N 2.87Å; N221-D224 PolarHBondContact ND2-OD2 3.28Å; N221-D224 CarbonylContact O-C 3.57Å; N221-D224 WeakPolarHBondContact O-CA 3.34Å; N221-D224 WeakPolarHBondContact O-CB 3.3Å; N221-D224 PolarHBondContact O-N 3.31Å; N221-D225 PolarHBondContact ND2-OD1 3.03Å; N221-D225 VanDerWaalsContact O-CG 3.28Å; N221-D225 PolarHBondContact O-N 3.32Å
222	V	64	Low	61	Low	36 Å²	36	84.9 Å²	84.9	22%	0.218	42%	0.417	C	S	.	.	H	α-helix	trans	-60.5	-27.1	-168.7	-173.3	0	0	0	0	114.2	C226 I248 I542 P543	V222-C226 PolarHBondContact O-N 2.98Å; V222-I248 HydrophobicContact CG1-CD1 4.41Å; V222-I542 HydrophobicContact CG1-CG2 4.28Å; V222-P543 HydrophobicContact CG1-CG 4.06Å; V222-P543 VanDerWaalsContact CG1-O 3.24Å; V222-P543 WeakPolarHBondContact CG1-O 3.34Å
223	V	68.2	Low	63.5	Low	3 Å²	3	86.9 Å²	86.9	2%	0.018	42%	0.422	C	S	.	.	H	α-helix	trans	-76.2	-31.4	172.9	-172.1	0	0	0	0	111.9	N221 R227 I230 I248 I257 I542	N221-V223 PolarHBondContact O-N 2.87Å; V223-R227 PolarHBondContact O-N 3.33Å; V223-I230 HydrophobicContact CG1-CD1 4.22Å; V223-I248 HydrophobicContact CG2-CG1 4.32Å; V223-I248 WeakPolarHBondContact CG2-O 3.44Å; V223-I257 HydrophobicContact CG1-CD1 4.01Å; V223-I542 HydrophobicContact CG1-CD1 4.39Å; V223-I542 HydrophobicContact CG2-CD1 4.39Å
224	D	69.2	Low	66.3	Low	64 Å²	64	79.3 Å²	79.3	34%	0.342	39%	0.389	S	S	.	.	H	α-helix	trans	-82.3	-28.2	177	-173.7	69.7	0	0	0	111.7	N221 C226 R227	N221-D224 PolarHBondContact ND2-OD2 3.28Å; N221-D224 CarbonylContact O-C 3.57Å; N221-D224 WeakPolarHBondContact O-CA 3.34Å; N221-D224 WeakPolarHBondContact O-CB 3.3Å; N221-D224 PolarHBondContact O-N 3.31Å; D224-C226 PolarHBondContact O-N 3.21Å; D224-R227 WeakPolarHBondContact O-CB 3.44Å; D224-R227 PolarHBondContact O-N 3.47Å; D224-R227 VanDerWaalsContact OD1-CD 3.29Å; D224-R227 WeakPolarHBondContact OD1-CD 3.38Å; D224-R227 IonicContact OD1-NH1 3.69Å
225	D	72	Confident	68.9	Low	109 Å²	109	75.4 Å²	75.4	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-62.8	-30.3	167.4	-58.9	-16.3	0	0	0	111.3	N221	N221-D225 PolarHBondContact ND2-OD1 3.03Å; N221-D225 VanDerWaalsContact O-CG 3.28Å; N221-D225 PolarHBondContact O-N 3.32Å
226	C	77.4	Confident	71.4	Confident	13 Å²	13	70.2 Å²	70.2	9%	0.088	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.4	171.4	-72.3	0	0	0	0	114	V222 D224 E228 Q229 I230	V222-C226 PolarHBondContact O-N 2.98Å; D224-C226 PolarHBondContact O-N 3.21Å; C226-E228 PolarHBondContact O-N 3.41Å; C226-Q229 PolarHBondContact O-N 2.69Å; C226-I230 HydrophobicContact CB-CD1 3.75Å; C226-I230 HydrophobicContact CB-CG1 4.24Å; C226-I230 WeakPolarHBondContact O-CG1 3.38Å; C226-I230 PolarHBondContact O-N 3.36Å
227	R	84	Confident	73.8	Confident	61 Å²	61	66.8 Å²	66.8	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-52.9	-51.9	-170.2	171.2	170.4	176.5	158.2	2.2	113.8	V223 D224 Q229 I230 I231 I257 E261	V223-R227 PolarHBondContact O-N 3.33Å; D224-R227 WeakPolarHBondContact O-CB 3.44Å; D224-R227 PolarHBondContact O-N 3.47Å; D224-R227 VanDerWaalsContact OD1-CD 3.29Å; D224-R227 WeakPolarHBondContact OD1-CD 3.38Å; D224-R227 IonicContact OD1-NH1 3.69Å; R227-Q229 VanDerWaalsContact C-N 3.3Å; R227-Q229 PolarHBondContact O-N 3.19Å; R227-I230 PolarHBondContact O-N 2.92Å; R227-I231 HydrophobicContact CG-CD1 3.45Å; R227-I231 VanDerWaalsContact CG-CD1 3.45Å; R227-I231 HydrophobicContact CG-CG1 4.41Å; R227-I231 WeakPolarHBondContact O-CG1 3.25Å; R227-I231 PolarHBondContact O-N 2.82Å; R227-I257 HydrophobicContact CG-CG2 3.97Å; R227-E261 IonicContact CZ-OE2 2.68Å; R227-E261 IonicContact NE-OE2 3.24Å; R227-E261 IonicContact NH2-OE2 2.6Å; R227-E261 PolarHBondContact NH2-OE2 3.38Å
228	E	83.7	Confident	76.2	Confident	173 Å²	173	67.6 Å²	67.6	81%	0.808	36%	0.357	S	S	*	.	H	α-helix	trans	-62.1	-40.6	-175.7	-63.2	-173	162.6	0	0	111.4	C226 H232	C226-E228 PolarHBondContact O-N 3.41Å; E228-H232 WeakPolarHBondContact O-CB 3.48Å; E228-H232 PolarHBondContact O-N 3.48Å
229	Q	85.8	Confident	78.6	Confident	114 Å²	114	62.4 Å²	62.4	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-47.8	176.8	-59.7	178.2	-1	0	0	111	C226 R227 I231 H232 F233	C226-Q229 PolarHBondContact O-N 2.69Å; R227-Q229 VanDerWaalsContact C-N 3.3Å; R227-Q229 PolarHBondContact O-N 3.19Å; Q229-I231 PolarHBondContact O-N 2.8Å; Q229-H232 PolarHBondContact O-N 2.83Å; Q229-F233 VanDerWaalsContact O-CD2 3.26Å; Q229-F233 WeakPolarHBondContact O-CD2 3.26Å; Q229-F233 PolarHBondContact O-N 3.11Å
230	I	87.2	Confident	80.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-49.2	178.4	-71.8	168	0	0	0	110.8	V223 C226 R227 F233 I234 I242 L254 I540	V223-I230 HydrophobicContact CG1-CD1 4.22Å; C226-I230 HydrophobicContact CB-CD1 3.75Å; C226-I230 HydrophobicContact CB-CG1 4.24Å; C226-I230 WeakPolarHBondContact O-CG1 3.38Å; C226-I230 PolarHBondContact O-N 3.36Å; R227-I230 PolarHBondContact O-N 2.92Å; I230-F233 PolarHBondContact O-N 2.6Å; I230-I234 HydrophobicContact CG2-CD1 3.64Å; I230-I234 WeakPolarHBondContact O-CB 3.48Å; I230-I234 WeakPolarHBondContact O-CD1 3.31Å; I230-I234 VanDerWaalsContact O-CG1 3.23Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 2.97Å; I230-I234 VanDerWaalsContact O-N 3.09Å; I230-I242 HydrophobicContact CG2-CD1 4.22Å; I230-L254 HydrophobicContact CG2-CD1 3.46Å; I230-L254 VanDerWaalsContact CG2-CD1 3.46Å; I230-I540 HydrophobicContact CB-CD1 4.46Å; I230-I540 HydrophobicContact CG1-CD1 4.06Å; I230-I540 HydrophobicContact CG1-CG2 4.31Å
231	I	89.7	Confident	82.8	Confident	18 Å²	18	54.9 Å²	54.9	9%	0.092	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-43.3	178.1	-67.8	162.8	0	0	0	111	R227 Q229 F233 I234 N235 I257 E261	R227-I231 HydrophobicContact CG-CD1 3.45Å; R227-I231 VanDerWaalsContact CG-CD1 3.45Å; R227-I231 HydrophobicContact CG-CG1 4.41Å; R227-I231 WeakPolarHBondContact O-CG1 3.25Å; R227-I231 PolarHBondContact O-N 2.82Å; Q229-I231 PolarHBondContact O-N 2.8Å; I231-F233 PolarHBondContact O-N 3.32Å; I231-I234 PolarHBondContact O-N 3.02Å; I231-N235 WeakPolarHBondContact CG2-ND2 3.16Å; I231-N235 VanDerWaalsContact O-CB 3.31Å; I231-N235 WeakPolarHBondContact O-CB 3.28Å; I231-N235 PolarHBondContact O-N 2.89Å; I231-N235 PolarHBondContact O-ND2 3.46Å; I231-I257 HydrophobicContact CD1-CG2 3.95Å; I231-I257 HydrophobicContact CG1-CG2 4.1Å; I231-E261 HydrophobicContact CD1-CB 4.19Å; I231-E261 HydrophobicContact CD1-CG 3.74Å; I231-E261 WeakPolarHBondContact CD1-OE2 3.48Å; I231-E261 HydrophobicContact CG1-CG 4.28Å; I231-E261 HydrophobicContact CG2-CG 4.16Å
232	H	89.7	Confident	84.4	Confident	118 Å²	118	51.5 Å²	51.5	55%	0.546	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-48.3	178.9	176.1	74.4	0	0	0	111.9	E228 Q229 N235 S236	E228-H232 WeakPolarHBondContact O-CB 3.48Å; E228-H232 PolarHBondContact O-N 3.48Å; Q229-H232 PolarHBondContact O-N 2.83Å; H232-N235 PolarHBondContact O-N 3.47Å; H232-S236 VanDerWaalsContact O-CB 3.28Å; H232-S236 WeakPolarHBondContact O-CB 3.44Å; H232-S236 PolarHBondContact O-N 3.27Å; H232-S236 PolarHBondContact O-OG 2.99Å
233	F	89.6	Confident	85.4	Confident	77 Å²	77	50.1 Å²	50.1	34%	0.338	26%	0.258	S	S	.	.	H	α-helix	trans	-65.3	-45.1	179	-83.5	-69	0	0	0	112.6	Q229 I230 I231 N235 S236 N237 T240 P538 I540	Q229-F233 VanDerWaalsContact O-CD2 3.26Å; Q229-F233 WeakPolarHBondContact O-CD2 3.26Å; Q229-F233 PolarHBondContact O-N 3.11Å; I230-F233 PolarHBondContact O-N 2.6Å; I231-F233 PolarHBondContact O-N 3.32Å; F233-N235 PolarHBondContact O-N 2.75Å; F233-S236 PolarHBondContact O-N 2.97Å; F233-N237 WeakPolarHBondContact O-CB 3.33Å; F233-N237 PolarHBondContact O-N 2.68Å; F233-N237 PolarHBondContact O-ND2 3.32Å; F233-T240 HydrophobicContact CB-CG2 4.19Å; F233-P538 HydrophobicContact CD1-CB 3.72Å; F233-P538 HydrophobicContact CD1-CG 4.05Å; F233-P538 HydrophobicContact CE1-CB 3.98Å; F233-I540 HydrophobicContact CB-CD1 3.8Å; F233-I540 HydrophobicContact CB-CG1 4.49Å; F233-I540 HydrophobicContact CD2-CD1 3.79Å; F233-I540 HydrophobicContact CD2-CG1 4.01Å; F233-I540 HydrophobicContact CG-CD1 4.07Å; F233-I540 HydrophobicContact CG-CG1 4.35Å
234	I	91	Very high	85.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41.5	178.9	-67.7	166	0	0	0	111.2	I230 I231 T240 I242 L254 L258 K408 I410	I230-I234 HydrophobicContact CG2-CD1 3.64Å; I230-I234 WeakPolarHBondContact O-CB 3.48Å; I230-I234 WeakPolarHBondContact O-CD1 3.31Å; I230-I234 VanDerWaalsContact O-CG1 3.23Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 2.97Å; I230-I234 VanDerWaalsContact O-N 3.09Å; I231-I234 PolarHBondContact O-N 3.02Å; I234-T240 HydrophobicContact CG1-CG2 4.15Å; I234-I242 HydrophobicContact CD1-CD1 4.47Å; I234-L254 HydrophobicContact CD1-CD1 4.38Å; I234-L258 HydrophobicContact CD1-CD2 4.16Å; I234-L258 HydrophobicContact CG2-CD2 4.39Å; I234-K408 HydrophobicContact CG2-CB 4.42Å; I234-K408 WeakPolarHBondContact O-CD 3.24Å; I234-K408 WeakPolarHBondContact O-CE 3.37Å; I234-K408 PolarHBondContact O-NZ 2.8Å; I234-I410 HydrophobicContact CD1-CD1 3.66Å; I234-I410 HydrophobicContact CD1-CG1 4.16Å; I234-I410 HydrophobicContact CG1-CD1 4.16Å; I234-I410 HydrophobicContact CG1-CG1 4.19Å; I234-I410 HydrophobicContact CG2-CD1 4.16Å; I234-I410 HydrophobicContact CG2-CG1 4.43Å
235	N	88.7	Confident	85.4	Confident	81 Å²	81	48.1 Å²	48.1	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-37.8	176.1	-75	-18.9	0	0	0	112	I231 H232 F233 K408	I231-N235 WeakPolarHBondContact CG2-ND2 3.16Å; I231-N235 VanDerWaalsContact O-CB 3.31Å; I231-N235 WeakPolarHBondContact O-CB 3.28Å; I231-N235 PolarHBondContact O-N 2.89Å; I231-N235 PolarHBondContact O-ND2 3.46Å; H232-N235 PolarHBondContact O-N 3.47Å; F233-N235 PolarHBondContact O-N 2.75Å; N235-K408 PolarHBondContact O-NZ 3.33Å
236	S	88.8	Confident	85.1	Confident	72 Å²	72	43.7 Å²	43.7	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-79.9	-24	-175.3	-53.2	0	0	0	0	114.2	H232 F233	H232-S236 VanDerWaalsContact O-CB 3.28Å; H232-S236 WeakPolarHBondContact O-CB 3.44Å; H232-S236 PolarHBondContact O-N 3.27Å; H232-S236 PolarHBondContact O-OG 2.99Å; F233-S236 PolarHBondContact O-N 2.97Å
237	N	90.7	Very high	84.3	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	24%	0.24	S	C	.	.			trans	-122.3	152.5	-171.2	-61.8	-91.5	0	0	0	112.2	F233 I239 K408 P538	F233-N237 WeakPolarHBondContact O-CB 3.33Å; F233-N237 PolarHBondContact O-N 2.68Å; F233-N237 PolarHBondContact O-ND2 3.32Å; N237-I239 VanDerWaalsContact CB-O 3.26Å; N237-I239 WeakPolarHBondContact CB-O 3.32Å; N237-K408 WeakPolarHBondContact O-CD 3.44Å; N237-K408 PolarHBondContact O-NZ 2.85Å; N237-P538 HydrophobicContact CB-CG 4.02Å
238	P	90.4	Very high	83.6	Confident	78 Å²	78	43.5 Å²	43.5	51%	0.506	24%	0.237	S	C	.	.	S	Bend	trans	-75	-31.6	174.5	29.5	-33.7	0	0	0	112.4	L401 V409	P238-L401 HydrophobicContact CB-CD1 4.43Å; P238-L401 HydrophobicContact CB-CD2 4.1Å; P238-V409 PolarHBondContact O-N 3.35Å
239	I	92.1	Very high	82.9	Confident	13 Å²	13	35.9 Å²	35.9	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.4	176	-59.2	176.7	0	0	0	108.2	N237 I397 L401 V409 L411 Y534 A537 P538	N237-I239 VanDerWaalsContact CB-O 3.26Å; N237-I239 WeakPolarHBondContact CB-O 3.32Å; I239-I397 HydrophobicContact CD1-CG2 3.98Å; I239-I397 HydrophobicContact CG1-CG2 4.48Å; I239-L401 HydrophobicContact CD1-CD1 3.6Å; I239-L401 HydrophobicContact CG1-CD1 3.41Å; I239-L401 VanDerWaalsContact CG1-CD1 3.41Å; I239-V409 CarbonylContact C-O 3.55Å; I239-V409 VanDerWaalsContact CA-O 3.28Å; I239-V409 WeakPolarHBondContact CA-O 3.49Å; I239-V409 HydrophobicContact CG1-CB 4.38Å; I239-L411 HydrophobicContact CG2-CD1 3.87Å; I239-L411 HydrophobicContact CG2-CG 4.25Å; I239-Y534 HydrophobicContact CD1-CD1 3.39Å; I239-Y534 HydrophobicContact CD1-CE1 4.09Å; I239-Y534 HydrophobicContact CD1-CG 3.79Å; I239-A537 HydrophobicContact CB-CB 4.05Å; I239-A537 HydrophobicContact CG2-CB 3.87Å; I239-P538 WeakPolarHBondContact O-CD 3.49Å
240	T	92.8	Very high	82.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.9	167.6	-62.4	0	0	0	0	109.8	F233 I234 I242 V409 I410 L411 P538 I540	F233-T240 HydrophobicContact CB-CG2 4.19Å; I234-T240 HydrophobicContact CG1-CG2 4.15Å; T240-I242 HydrophobicContact CG2-CG1 4.17Å; T240-V409 PolarHBondContact N-O 2.8Å; T240-I410 WeakPolarHBondContact O-CA 3.28Å; T240-L411 PolarHBondContact O-N 3.44Å; T240-P538 HydrophobicContact CG2-CG 4.47Å; T240-I540 HydrophobicContact CG2-CD1 3.76Å; T240-I540 HydrophobicContact CG2-CG1 4.12Å
241	I	89.8	Confident	82.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.8	177.2	-61.1	168.6	0	0	0	108.1	L411 I413 F530 A537 P538 I539 I540	I241-L411 CarbonylContact C-O 3.6Å; I241-L411 WeakPolarHBondContact CA-O 3.39Å; I241-L411 HydrophobicContact CG1-CB 4.34Å; I241-L411 HydrophobicContact CG1-CD1 4.24Å; I241-I413 HydrophobicContact CG2-CD1 3.61Å; I241-I413 HydrophobicContact CG2-CG1 4.1Å; I241-F530 HydrophobicContact CD1-CB 4.4Å; I241-F530 HydrophobicContact CD1-CD1 4.43Å; I241-A537 HydrophobicContact CD1-CB 4.26Å; I241-P538 WeakPolarHBondContact CB-O 3.43Å; I241-P538 PolarHBondContact N-O 3.34Å; I241-I539 HydrophobicContact CB-CG1 4.3Å; I241-I539 HydrophobicContact CD1-CG1 4.32Å; I241-I539 HydrophobicContact CG2-CG1 4.43Å; I241-I539 HydrophobicContact CG2-CG2 4.43Å; I241-I539 CarbonylContact O-C 3.1Å; I241-I539 WeakPolarHBondContact O-CA 3.4Å; I241-I540 PolarHBondContact O-N 3.48Å
242	I	88.7	Confident	81.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.1	178.8	-58.6	-175.7	0	0	0	108.9	I230 I234 T240 K250 L254 I410 L411 I412 I413 I540 I542	I230-I242 HydrophobicContact CG2-CD1 4.22Å; I234-I242 HydrophobicContact CD1-CD1 4.47Å; T240-I242 HydrophobicContact CG2-CG1 4.17Å; I242-K250 HydrophobicContact CG2-CD 4.32Å; I242-L254 HydrophobicContact CD1-CD1 3.8Å; I242-L254 HydrophobicContact CD1-CD2 3.75Å; I242-L254 HydrophobicContact CD1-CG 4.44Å; I242-I410 HydrophobicContact CD1-CG2 3.71Å; I242-I410 HydrophobicContact CG1-CG2 4.08Å; I242-L411 PolarHBondContact N-O 3.43Å; I242-I412 WeakPolarHBondContact O-CA 3.3Å; I242-I413 PolarHBondContact O-N 3.18Å; I242-I540 CarbonylContact C-O 3.43Å; I242-I540 WeakPolarHBondContact CA-O 3.12Å; I242-I540 HydrophobicContact CG1-CB 4.46Å; I242-I540 HydrophobicContact CG1-CD1 4.41Å; I242-I542 HydrophobicContact CG2-CD1 3.64Å; I242-I542 HydrophobicContact CG2-CG1 4.04Å
243	S	83.2	Confident	81.4	Confident	7 Å²	7	27.4 Å²	27.4	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	150.3	178	171.5	0	0	0	0	111.1	S415 I540 I542	S243-S415 WeakPolarHBondContact OG-CB 3.32Å; S243-S415 PolarHBondContact OG-OG 2.88Å; S243-I540 PolarHBondContact N-O 3.12Å; S243-I542 PolarHBondContact O-N 2.68Å
244	G	73.2	Confident	81.2	Confident	5 Å²	5	23.8 Å²	23.8	5%	0.052	15%	0.149	C	C	.	.			trans	168.2	170.3	167.3	0	0	0	0	0	110.6	K250 I413 S415	G244-K250 PolarHBondContact O-NZ 2.89Å; G244-I413 PolarHBondContact N-O 3.32Å; G244-S415 PolarHBondContact O-N 3.43Å
245	P	65.5	Low	81.2	Confident	19 Å²	19	23.7 Å²	23.7	12%	0.123	15%	0.148	C	C	.	.			trans	-65.8	164.1	176.8	31.5	-38.8	0	0	0	111.8	I248 K250 Y544	P245-I248 WeakPolarHBondContact O-CG2 3.12Å; P245-K250 PolarHBondContact O-NZ 3.01Å; P245-Y544 HydrophobicContact CB-CE1 4.32Å; P245-Y544 HydrophobicContact CB-CE2 4.46Å; P245-Y544 HydrophobicContact CG-CD1 3.6Å; P245-Y544 HydrophobicContact CG-CD2 3.87Å; P245-Y544 HydrophobicContact CG-CE1 3.82Å; P245-Y544 HydrophobicContact CG-CE2 4.1Å; P245-Y544 HydrophobicContact CG-CG 3.6Å
246	P	64.6	Low	81.1	Confident	17 Å²	17	20.7 Å²	20.7	11%	0.11	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	163	163.8	24	-33	0	0	0	112.6	I248 Q1039	P246-I248 PolarHBondContact O-N 3.06Å; P246-Q1039 HydrophobicContact CG-CB 4.46Å; P246-Q1039 HydrophobicContact CG-CG 4.04Å
247	G	62.1	Low	81.1	Confident	36 Å²	36	17.8 Å²	17.8	37%	0.371	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-20.9	171.6	0	0	0	0	0	116.2	G249	G247-G249 PolarHBondContact O-N 3.33Å; G247-G249 VanDerWaalsContact O-N 3.12Å
248	I	68.3	Low	81	Confident	34 Å²	34	15.9 Å²	15.9	17%	0.174	10%	0.1	C	C	.	.	S	Bend	trans	-66.3	-8	172.7	-160.4	161.3	0	0	0	113.5	V222 V223 P245 P246 K250 I542 P543	V222-I248 HydrophobicContact CG1-CD1 4.41Å; V223-I248 HydrophobicContact CG2-CG1 4.32Å; V223-I248 WeakPolarHBondContact CG2-O 3.44Å; P245-I248 WeakPolarHBondContact O-CG2 3.12Å; P246-I248 PolarHBondContact O-N 3.06Å; I248-K250 HydrophobicContact CG2-CD 4.3Å; I248-K250 HydrophobicContact CG2-CG 3.64Å; I248-I542 HydrophobicContact CD1-CG2 3.67Å; I248-I542 HydrophobicContact CG1-CG2 4.45Å; I248-P543 WeakPolarHBondContact CD1-O 3.41Å
249	G	69.9	Low	81	Confident	12 Å²	12	12.2 Å²	12.2	12%	0.124	8%	0.076	C	C	.	.			trans	90.1	19.6	167.7	0	0	0	0	0	115.6	G247 T251 T252 Y253	G247-G249 PolarHBondContact O-N 3.33Å; G247-G249 VanDerWaalsContact O-N 3.12Å; G249-T251 VanDerWaalsContact C-N 3.32Å; G249-T251 PolarHBondContact O-N 2.88Å; G249-T252 PolarHBondContact O-N 3.44Å; G249-T252 PolarHBondContact O-OG1 2.9Å; G249-T252 VanDerWaalsContact O-OG1 3.05Å; G249-Y253 VanDerWaalsContact O-CD2 3.29Å; G249-Y253 WeakPolarHBondContact O-CD2 3.44Å; G249-Y253 PolarHBondContact O-N 3.22Å
250	K	80.4	Confident	80.8	Confident	5 Å²	5	12.6 Å²	12.6	2%	0.022	8%	0.078	C	C	.	.	H	α-helix	trans	-44.4	-56.7	174.6	-51.5	-166	-63.2	-82.4	0	111.5	I242 G244 P245 I248 T252 L254 I412 N414 I542	I242-K250 HydrophobicContact CG2-CD 4.32Å; G244-K250 PolarHBondContact O-NZ 2.89Å; P245-K250 PolarHBondContact O-NZ 3.01Å; I248-K250 HydrophobicContact CG2-CD 4.3Å; I248-K250 HydrophobicContact CG2-CG 3.64Å; K250-T252 VanDerWaalsContact C-N 3.26Å; K250-T252 PolarHBondContact O-N 2.92Å; K250-T252 VanDerWaalsContact O-N 3.16Å; K250-L254 WeakPolarHBondContact O-CB 3.43Å; K250-L254 PolarHBondContact O-N 3.02Å; K250-I412 HydrophobicContact CB-CD1 4.48Å; K250-I412 HydrophobicContact CB-CG2 3.85Å; K250-I412 HydrophobicContact CD-CG2 3.75Å; K250-I412 HydrophobicContact CG-CG2 4.4Å; K250-N414 PolarHBondContact NZ-OD1 2.68Å; K250-I542 HydrophobicContact CD-CD1 4.04Å; K250-I542 HydrophobicContact CG-CD1 4Å
251	T	81.6	Confident	80.6	Confident	14 Å²	14	14.4 Å²	14.4	9%	0.086	9%	0.087	C	C	.	.	H	α-helix	trans	-53.7	-30	177.8	-48.9	0	0	0	0	115.6	G249 P255 N284 D344	G249-T251 VanDerWaalsContact C-N 3.32Å; G249-T251 PolarHBondContact O-N 2.88Å; T251-P255 WeakPolarHBondContact O-CD 3.39Å; T251-P255 WeakPolarHBondContact O-CG 3.1Å; T251-N284 HydrophobicContact CG2-CB 4.08Å; T251-N284 WeakPolarHBondContact CG2-ND2 3.48Å; T251-D344 WeakPolarHBondContact CB-OD2 3.46Å; T251-D344 WeakPolarHBondContact CG2-OD2 3.43Å; T251-D344 PolarHBondContact OG1-OD1 3.16Å; T251-D344 PolarHBondContact OG1-OD2 3.23Å
252	T	77.4	Confident	80.6	Confident	5 Å²	5	15 Å²	15	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-101.9	-43.6	-175.4	46.7	0	0	0	0	113.3	G249 K250 R287	G249-T252 PolarHBondContact O-N 3.44Å; G249-T252 PolarHBondContact O-OG1 2.9Å; G249-T252 VanDerWaalsContact O-OG1 3.05Å; K250-T252 VanDerWaalsContact C-N 3.26Å; K250-T252 PolarHBondContact O-N 2.92Å; K250-T252 VanDerWaalsContact O-N 3.16Å; T252-R287 HydrophobicContact CG2-CG 4.42Å
253	Y	79.8	Confident	80.7	Confident	49 Å²	49	18.9 Å²	18.9	19%	0.192	11%	0.106	C	C	.	.	H	α-helix	trans	-88.9	-32.2	-174.3	-59.5	-72.8	0	0	0	112.6	G249 Q256 I257	G249-Y253 VanDerWaalsContact O-CD2 3.29Å; G249-Y253 WeakPolarHBondContact O-CD2 3.44Å; G249-Y253 PolarHBondContact O-N 3.22Å; Y253-Q256 WeakPolarHBondContact O-CB 3.48Å; Y253-Q256 PolarHBondContact O-N 3.32Å; Y253-I257 WeakPolarHBondContact O-CB 3.47Å; Y253-I257 VanDerWaalsContact O-CG1 3.28Å; Y253-I257 WeakPolarHBondContact O-CG1 3.36Å; Y253-I257 PolarHBondContact O-N 2.86Å
254	L	87.3	Confident	80.8	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-46.8	177.8	-177.4	75	0	0	0	112.5	I230 I234 I242 K250 Q256 I257 L258 I410 I412	I230-L254 HydrophobicContact CG2-CD1 3.46Å; I230-L254 VanDerWaalsContact CG2-CD1 3.46Å; I234-L254 HydrophobicContact CD1-CD1 4.38Å; I242-L254 HydrophobicContact CD1-CD1 3.8Å; I242-L254 HydrophobicContact CD1-CD2 3.75Å; I242-L254 HydrophobicContact CD1-CG 4.44Å; K250-L254 WeakPolarHBondContact O-CB 3.43Å; K250-L254 PolarHBondContact O-N 3.02Å; L254-Q256 VanDerWaalsContact C-N 3.27Å; L254-Q256 PolarHBondContact O-N 2.74Å; L254-I257 PolarHBondContact O-N 3.46Å; L254-L258 HydrophobicContact CG-CD1 4.38Å; L254-L258 WeakPolarHBondContact O-CG 3.28Å; L254-L258 PolarHBondContact O-N 3.13Å; L254-L258 VanDerWaalsContact O-N 3.11Å; L254-I410 HydrophobicContact CD2-CG2 3.95Å; L254-I412 HydrophobicContact CD2-CD1 3.77Å; L254-I412 HydrophobicContact CD2-CG1 4.13Å
255	P	89.4	Confident	81.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-32.8	175.1	-19.2	32.9	0	0	0	112.3	T251 L258 V259 L288 L316 F318 I342	T251-P255 WeakPolarHBondContact O-CD 3.39Å; T251-P255 WeakPolarHBondContact O-CG 3.1Å; P255-L258 PolarHBondContact O-N 2.84Å; P255-V259 VanDerWaalsContact O-CG2 3.31Å; P255-V259 WeakPolarHBondContact O-CG2 3.35Å; P255-V259 PolarHBondContact O-N 2.78Å; P255-L288 HydrophobicContact CB-CD2 4.01Å; P255-L316 HydrophobicContact CB-CD1 4.16Å; P255-L316 HydrophobicContact CB-CD2 3.52Å; P255-F318 HydrophobicContact CG-CZ 4.47Å; P255-I342 HydrophobicContact CB-CD1 4.16Å; P255-I342 HydrophobicContact CG-CD1 3.87Å
256	Q	87.5	Confident	82.5	Confident	18 Å²	18	29.2 Å²	29.2	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-44.2	176.3	-178.4	54.9	17.3	0	0	112.2	Y253 L254 L258 V259 D260 L288 R292	Y253-Q256 WeakPolarHBondContact O-CB 3.48Å; Y253-Q256 PolarHBondContact O-N 3.32Å; L254-Q256 VanDerWaalsContact C-N 3.27Å; L254-Q256 PolarHBondContact O-N 2.74Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.03Å; Q256-V259 PolarHBondContact O-N 3.41Å; Q256-D260 PolarHBondContact NE2-OD1 3.25Å; Q256-D260 PolarHBondContact NE2-OD2 2.72Å; Q256-D260 WeakPolarHBondContact O-CB 3.31Å; Q256-D260 PolarHBondContact O-N 2.79Å; Q256-L288 HydrophobicContact CB-CD1 3.83Å; Q256-L288 HydrophobicContact CG-CD1 4.3Å; Q256-R292 VanDerWaalsContact NE2-NH1 3.11Å
257	I	87.4	Confident	83.7	Confident	10 Å²	10	33.4 Å²	33.4	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-45.5	175.5	-72.5	164.3	0	0	0	109.6	V223 R227 I231 Y253 L254 D260 E261	V223-I257 HydrophobicContact CG1-CD1 4.01Å; R227-I257 HydrophobicContact CG-CG2 3.97Å; I231-I257 HydrophobicContact CD1-CG2 3.95Å; I231-I257 HydrophobicContact CG1-CG2 4.1Å; Y253-I257 WeakPolarHBondContact O-CB 3.47Å; Y253-I257 VanDerWaalsContact O-CG1 3.28Å; Y253-I257 WeakPolarHBondContact O-CG1 3.36Å; Y253-I257 PolarHBondContact O-N 2.86Å; L254-I257 PolarHBondContact O-N 3.46Å; I257-D260 PolarHBondContact O-N 3.39Å; I257-E261 WeakPolarHBondContact O-CB 3.36Å; I257-E261 PolarHBondContact O-N 3.5Å
258	L	90.6	Very high	85.1	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-43.3	178.1	-67.1	166.5	0	0	0	112.8	I234 L254 P255 Q256 C262 I271 I342 I410	I234-L258 HydrophobicContact CD1-CD2 4.16Å; I234-L258 HydrophobicContact CG2-CD2 4.39Å; L254-L258 HydrophobicContact CG-CD1 4.38Å; L254-L258 WeakPolarHBondContact O-CG 3.28Å; L254-L258 PolarHBondContact O-N 3.13Å; L254-L258 VanDerWaalsContact O-N 3.11Å; P255-L258 PolarHBondContact O-N 2.84Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.03Å; L258-C262 WeakPolarHBondContact O-CB 3.44Å; L258-C262 PolarHBondContact O-N 2.96Å; L258-C262 PolarHBondContact O-SG 3.37Å; L258-I271 HydrophobicContact CB-CD1 3.74Å; L258-I342 HydrophobicContact CD1-CD1 4.01Å; L258-I410 HydrophobicContact CD1-CD1 3.55Å; L258-I410 HydrophobicContact CD2-CD1 4.49Å
259	V	89.8	Confident	86.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-46.6	176.8	172.9	0	0	0	0	111.2	P200 P255 Q256 C262 Y263 I271 R292 T299 L316	P200-V259 HydrophobicContact CB-CG1 3.63Å; P200-V259 HydrophobicContact CG-CG1 4.07Å; P200-V259 WeakPolarHBondContact CG-O 3.25Å; P255-V259 VanDerWaalsContact O-CG2 3.31Å; P255-V259 WeakPolarHBondContact O-CG2 3.35Å; P255-V259 PolarHBondContact O-N 2.78Å; Q256-V259 PolarHBondContact O-N 3.41Å; V259-C262 PolarHBondContact O-N 3.26Å; V259-Y263 PolarHBondContact O-N 3.42Å; V259-I271 HydrophobicContact CG2-CD1 3.84Å; V259-R292 VanDerWaalsContact CG1-NH1 3.35Å; V259-T299 HydrophobicContact CG1-CG2 4.38Å; V259-L316 HydrophobicContact CG2-CB 4.33Å; V259-L316 HydrophobicContact CG2-CD2 4.42Å
260	D	87.9	Confident	87.2	Confident	21 Å²	21	38.4 Å²	38.4	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-30.2	-178.8	-74.8	3.8	0	0	0	111.9	Q256 I257 Y263 M264 R292	Q256-D260 PolarHBondContact NE2-OD1 3.25Å; Q256-D260 PolarHBondContact NE2-OD2 2.72Å; Q256-D260 WeakPolarHBondContact O-CB 3.31Å; Q256-D260 PolarHBondContact O-N 2.79Å; I257-D260 PolarHBondContact O-N 3.39Å; D260-Y263 WeakPolarHBondContact O-CB 3.23Å; D260-Y263 PolarHBondContact O-N 2.79Å; D260-M264 WeakPolarHBondContact O-CG 3.28Å; D260-M264 PolarHBondContact O-N 3Å; D260-R292 IonicContact OD1-CZ 2.81Å; D260-R292 IonicContact OD1-NH1 3.44Å; D260-R292 PolarHBondContact OD1-NH1 3.44Å
261	E	88.5	Confident	87.9	Confident	39 Å²	39	38.2 Å²	38.2	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-42.3	172.8	-166.9	63	-153.3	0	0	111.8	R227 I231 I257 Y263 M264 Q265	R227-E261 IonicContact CZ-OE2 2.68Å; R227-E261 IonicContact NE-OE2 3.24Å; R227-E261 IonicContact NH2-OE2 2.6Å; R227-E261 PolarHBondContact NH2-OE2 3.38Å; I231-E261 HydrophobicContact CD1-CB 4.19Å; I231-E261 HydrophobicContact CD1-CG 3.74Å; I231-E261 WeakPolarHBondContact CD1-OE2 3.48Å; I231-E261 HydrophobicContact CG1-CG 4.28Å; I231-E261 HydrophobicContact CG2-CG 4.16Å; I257-E261 WeakPolarHBondContact O-CB 3.36Å; I257-E261 PolarHBondContact O-N 3.5Å; E261-Y263 PolarHBondContact O-N 2.88Å; E261-M264 PolarHBondContact O-N 3.21Å; E261-Q265 HydrophobicContact CG-CG 4.36Å; E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.22Å; E261-Q265 PolarHBondContact O-N 3.32Å; E261-Q265 PolarHBondContact OE1-NE2 2.76Å
262	C	90.1	Very high	88.4	Confident	12 Å²	12	37.7 Å²	37.7	8%	0.081	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-34.5	171.6	-71.5	0	0	0	0	112.2	P200 L258 V259 G266 H267 C269	P200-C262 HydrophobicContact CG-CB 3.88Å; L258-C262 WeakPolarHBondContact O-CB 3.44Å; L258-C262 PolarHBondContact O-N 2.96Å; L258-C262 PolarHBondContact O-SG 3.37Å; V259-C262 PolarHBondContact O-N 3.26Å; C262-G266 CarbonylContact O-C 3.1Å; C262-G266 PolarHBondContact O-N 2.92Å; C262-G266 VanDerWaalsContact O-N 3.16Å; C262-H267 HydrophobicContact CB-CB 4.46Å; C262-H267 PolarHBondContact O-N 2.84Å; C262-C269 HydrophobicContact CB-CB 3.77Å
263	Y	89.2	Confident	89.2	Confident	83 Å²	83	37.4 Å²	37.4	33%	0.325	18%	0.176	S	C	.	.	H	α-helix	trans	-64.3	-52.2	171	170.4	-114.9	0	0	0	111.7	P200 P202 V259 D260 E261 Q265 G266	P200-Y263 VanDerWaalsContact O-CD2 3.25Å; P200-Y263 WeakPolarHBondContact O-CD2 3.47Å; P202-Y263 HydrophobicContact CB-CD1 4.32Å; P202-Y263 HydrophobicContact CB-CE1 3.72Å; P202-Y263 HydrophobicContact CB-CE2 4.17Å; P202-Y263 HydrophobicContact CG-CE2 4.27Å; V259-Y263 PolarHBondContact O-N 3.42Å; D260-Y263 WeakPolarHBondContact O-CB 3.23Å; D260-Y263 PolarHBondContact O-N 2.79Å; E261-Y263 PolarHBondContact O-N 2.88Å; Y263-Q265 VanDerWaalsContact C-N 3.31Å; Y263-Q265 PolarHBondContact O-N 3.48Å; Y263-G266 PolarHBondContact O-N 3.47Å; Y263-G266 VanDerWaalsContact O-N 3.07Å
264	M	86.7	Confident	89.8	Confident	131 Å²	131	35.1 Å²	35.1	65%	0.645	17%	0.167	S	C	*	.	H	α-helix	trans	-61.3	-36.7	-177	-69.3	-72.3	-73.1	0	0	112.9	D260 E261	D260-M264 WeakPolarHBondContact O-CG 3.28Å; D260-M264 PolarHBondContact O-N 3Å; E261-M264 PolarHBondContact O-N 3.21Å
265	Q	87.2	Confident	89.8	Confident	79 Å²	79	35 Å²	35	37%	0.369	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.6	177.5	-60.9	-178.9	2.8	0	0	113.6	E261 Y263 H267	E261-Q265 HydrophobicContact CG-CG 4.36Å; E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.22Å; E261-Q265 PolarHBondContact O-N 3.32Å; E261-Q265 PolarHBondContact OE1-NE2 2.76Å; Y263-Q265 VanDerWaalsContact C-N 3.31Å; Y263-Q265 PolarHBondContact O-N 3.48Å; Q265-H267 WeakPolarHBondContact CB-ND1 3.18Å; Q265-H267 PolarHBondContact O-N 2.98Å; Q265-H267 PolarHBondContact OE1-CE1 3.41Å; Q265-H267 VanDerWaalsContact OE1-CE1 3.23Å; Q265-H267 PolarHBondContact OE1-ND1 2.75Å
266	G	86.9	Confident	89	Confident	38 Å²	38	36 Å²	36	39%	0.392	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	15.5	-174.3	0	0	0	0	0	114.6	I199 C262 Y263	I199-G266 VanDerWaalsContact CD1-O 3.28Å; I199-G266 WeakPolarHBondContact CD1-O 3.13Å; I199-G266 WeakPolarHBondContact CG1-O 3.39Å; C262-G266 CarbonylContact O-C 3.1Å; C262-G266 PolarHBondContact O-N 2.92Å; C262-G266 VanDerWaalsContact O-N 3.16Å; Y263-G266 PolarHBondContact O-N 3.47Å; Y263-G266 VanDerWaalsContact O-N 3.07Å
267	H	89.6	Confident	88.4	Confident	106 Å²	106	37.8 Å²	37.8	49%	0.491	18%	0.179	S	C	.	.			trans	-77.6	139.7	-179.6	-73.6	136.4	0	0	0	111.8	C262 Q265	C262-H267 HydrophobicContact CB-CB 4.46Å; C262-H267 PolarHBondContact O-N 2.84Å; Q265-H267 WeakPolarHBondContact CB-ND1 3.18Å; Q265-H267 PolarHBondContact O-N 2.98Å; Q265-H267 PolarHBondContact OE1-CE1 3.41Å; Q265-H267 VanDerWaalsContact OE1-CE1 3.23Å; Q265-H267 PolarHBondContact OE1-ND1 2.75Å
268	R	90.6	Very high	87.9	Confident	179 Å²	179	40.9 Å²	40.9	68%	0.675	19%	0.191	S	C	*	.			trans	-75.9	128.6	172.6	-66.3	-179.6	-175.5	174.3	1.8	109.3	P197 Q198 I199	P197-R268 HydrophobicContact CB-CB 4.32Å; Q198-R268 CarbonylContact O-C 3.21Å; Q198-R268 WeakPolarHBondContact O-CA 3.42Å; I199-R268 HydrophobicContact CG1-CG 3.94Å
269	C	91.3	Very high	87.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-123	153.2	-177.2	80.2	0	0	0	0	112.6	P197 Q198 C262	P197-C269 VanDerWaalsContact CA-O 3.26Å; P197-C269 WeakPolarHBondContact CA-O 3.43Å; P197-C269 WeakPolarHBondContact CB-O 3.38Å; Q198-C269 PolarHBondContact N-O 3.15Å; Q198-C269 PolarHBondContact O-N 2.9Å; C262-C269 HydrophobicContact CB-CB 3.77Å
270	R	92.5	Very high	86.8	Confident	8 Å²	8	41 Å²	41	3%	0.03	19%	0.191	C	C	.	.			trans	-153	122.3	160.6	-176.6	174.9	178.5	-124.1	6.4	107.7	M193 T195 P197 L315 I334 G337 T338 T339 H340	M193-R270 PolarHBondContact O-NH2 2.9Å; T195-R270 WeakPolarHBondContact O-CD 3.29Å; T195-R270 PolarHBondContact O-NE 3.45Å; T195-R270 WeakPolarHBondContact OG1-CD 3.22Å; T195-R270 PolarHBondContact OG1-NE 2.89Å; P197-R270 HydrophobicContact CB-CB 3.95Å; R270-L315 CarbonylContact C-O 3.59Å; R270-L315 WeakPolarHBondContact CA-O 3.48Å; R270-I334 PolarHBondContact NH1-O 2.89Å; R270-G337 WeakPolarHBondContact CB-O 3.39Å; R270-G337 VanDerWaalsContact CD-O 3.32Å; R270-G337 WeakPolarHBondContact CD-O 3.4Å; R270-T338 PolarHBondContact NH1-OG1 3.49Å; R270-T338 VanDerWaalsContact NH1-OG1 3.07Å; R270-T339 PolarHBondContact N-OG1 2.86Å; R270-T339 PolarHBondContact O-N 2.87Å; R270-T339 PolarHBondContact O-OG1 2.98Å; R270-H340 PolarHBondContact O-N 3.23Å; R270-H340 VanDerWaalsContact O-N 3.17Å
271	I	94	Very high	86.7	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.9	-169.7	-48.8	-173.8	0	0	0	108.4	L258 V259 L315 L316 T317 H340 I342	L258-I271 HydrophobicContact CB-CD1 3.74Å; V259-I271 HydrophobicContact CG2-CD1 3.84Å; I271-L315 PolarHBondContact N-O 2.67Å; I271-L316 HydrophobicContact CB-CD1 3.77Å; I271-L316 HydrophobicContact CG2-CD1 3.62Å; I271-L316 WeakPolarHBondContact O-CA 3.39Å; I271-T317 PolarHBondContact O-N 2.66Å; I271-H340 WeakPolarHBondContact CA-O 3.25Å; I271-H340 HydrophobicContact CB-CB 4.33Å; I271-H340 HydrophobicContact CG1-CB 4.09Å; I271-H340 HydrophobicContact CG2-CB 3.98Å; I271-I342 HydrophobicContact CG2-CD1 3.89Å; I271-I342 HydrophobicContact CG2-CG1 4.24Å
272	I	93.8	Very high	86.6	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.9	172.2	-57.3	164.4	0	0	0	107.8	L192 T317 L324 M335 T338 H340 I341 I342	L192-I272 HydrophobicContact CD1-CD1 3.77Å; L192-I272 HydrophobicContact CD1-CG1 4.17Å; L192-I272 HydrophobicContact CD1-CG2 3.83Å; I272-T317 WeakPolarHBondContact CA-O 3.48Å; I272-L324 HydrophobicContact CD1-CD1 4.33Å; I272-L324 HydrophobicContact CG2-CD1 4.2Å; I272-L324 HydrophobicContact CG2-CD2 4.5Å; I272-M335 HydrophobicContact CD1-CE 3.97Å; I272-T338 HydrophobicContact CD1-CG2 3.73Å; I272-T338 HydrophobicContact CG1-CG2 4.16Å; I272-H340 PolarHBondContact N-O 2.56Å; I272-I341 CarbonylContact O-C 3.58Å; I272-I341 WeakPolarHBondContact O-CA 3.44Å; I272-I342 PolarHBondContact O-N 3.4Å
273	C	94.1	Very high	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117	172	-178.6	0	0	0	0	109.3	Q275 L316 T317 F318 C319 I342	C273-Q275 PolarHBondContact SG-NE2 3.09Å; C273-Q275 VanDerWaalsContact SG-NE2 3.43Å; C273-L316 HydrophobicContact CB-CD1 4.36Å; C273-T317 PolarHBondContact N-O 2.88Å; C273-F318 HydrophobicContact CB-CD1 3.72Å; C273-F318 HydrophobicContact CB-CE1 3.89Å; C273-F318 HydrophobicContact CB-CG 4.31Å; C273-F318 CarbonylContact O-C 3.44Å; C273-F318 VanDerWaalsContact O-CA 3.28Å; C273-F318 WeakPolarHBondContact O-CA 3.04Å; C273-C319 PolarHBondContact O-N 2.88Å; C273-I342 WeakPolarHBondContact CA-O 3.26Å; C273-I342 HydrophobicContact CB-CB 4.2Å
274	S	91.6	Very high	86.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.1	177.9	70.2	0	0	0	0	111.4	C319 H321 I342 D344	S274-C319 CarbonylContact C-O 3.4Å; S274-C319 WeakPolarHBondContact CA-O 3.41Å; S274-H321 WeakPolarHBondContact CB-ND1 3.3Å; S274-H321 PolarHBondContact OG-ND1 3Å; S274-I342 PolarHBondContact N-O 3.45Å; S274-I342 PolarHBondContact OG-O 2.93Å; S274-D344 PolarHBondContact O-N 3.01Å; S274-D344 VanDerWaalsContact O-N 3.15Å
275	Q	86.6	Confident	86.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156	-173.4	-59.9	-85	-50.3	0	0	109.3	C273 Y280 A281 N284 F318 C319 T320 H321 D344	C273-Q275 PolarHBondContact SG-NE2 3.09Å; C273-Q275 VanDerWaalsContact SG-NE2 3.43Å; Q275-Y280 VanDerWaalsContact OE1-CB 3.27Å; Q275-A281 HydrophobicContact CB-CB 4.43Å; Q275-A281 HydrophobicContact CG-CB 4.44Å; Q275-N284 PolarHBondContact OE1-ND2 3.42Å; Q275-N284 VanDerWaalsContact OE1-ND2 3.08Å; Q275-F318 HydrophobicContact CG-CD1 4.43Å; Q275-C319 PolarHBondContact N-O 2.72Å; Q275-T320 CarbonylContact O-C 3.54Å; Q275-T320 WeakPolarHBondContact O-CA 3.44Å; Q275-H321 VanDerWaalsContact C-NE2 3.3Å; Q275-H321 PolarHBondContact O-CD2 2.78Å; Q275-H321 PolarHBondContact O-N 3.05Å; Q275-D344 PolarHBondContact NE2-OD2 2.95Å
276	P	73.6	Confident	86.3	Confident	22 Å²	22	26.3 Å²	26.3	14%	0.143	12%	0.123	C	C	.	.	S	Bend	trans	-70.5	-54.7	176.4	21	-28.2	0	0	0	111.2	Y280 H321 E345 P386	P276-Y280 HydrophobicContact CG-CD2 4.33Å; P276-Y280 HydrophobicContact CG-CE2 4.44Å; P276-H321 VanDerWaalsContact CA-CD2 3.49Å; P276-H321 WeakPolarHBondContact CA-CD2 3.19Å; P276-H321 WeakPolarHBondContact CD-NE2 3.45Å; P276-H321 VanDerWaalsContact N-NE2 3.17Å; P276-E345 HydrophobicContact CG-CB 3.8Å; P276-E345 HydrophobicContact CG-CG 4.33Å; P276-P386 HydrophobicContact CB-CB 4.19Å
277	Y	73.7	Confident	86	Confident	54 Å²	54	27 Å²	27	21%	0.212	11%	0.114	C	C	.	.	S	Bend	trans	-92.7	138.2	-172.9	-60.8	-82.2	0	0	0	113.3	L279 Y280 A281 P386 P967	Y277-L279 PolarHBondContact O-N 2.95Å; Y277-L279 VanDerWaalsContact O-N 3.13Å; Y277-Y280 HydrophobicContact CD2-CD2 4Å; Y277-Y280 AromaticContact CD2-CE2 3.52Å; Y277-Y280 HydrophobicContact CD2-CE2 3.52Å; Y277-Y280 AromaticContact CD2-CZ 3.83Å; Y277-Y280 HydrophobicContact CE2-CE2 4.3Å; Y277-Y280 HydrophobicContact CG-CE2 4.4Å; Y277-Y280 PolarHBondContact O-N 2.94Å; Y277-Y280 VanDerWaalsContact O-N 3.08Å; Y277-A281 PolarHBondContact O-N 3.11Å; Y277-P386 HydrophobicContact CD1-CG 4.35Å; Y277-P386 HydrophobicContact CE1-CB 4.23Å; Y277-P386 HydrophobicContact CE1-CG 3.8Å; Y277-P967 HydrophobicContact CD1-CB 4.29Å; Y277-P967 HydrophobicContact CD1-CG 4.42Å; Y277-P967 HydrophobicContact CE1-CB 4.49Å; Y277-P967 HydrophobicContact CE1-CG 4.28Å
278	R	76.8	Confident	85.9	Confident	76 Å²	76	21.9 Å²	21.9	29%	0.287	9%	0.09	S	C	.	.	H	α-helix	trans	-52.5	-34.1	171.8	-69.2	176.1	59.8	170.1	-5.4	112.4	H282 I304 R305 T320 D384	R278-H282 PolarHBondContact O-N 3.15Å; R278-I304 HydrophobicContact CB-CB 4.48Å; R278-I304 HydrophobicContact CB-CD1 4.23Å; R278-I304 HydrophobicContact CB-CG2 4.31Å; R278-I304 HydrophobicContact CG-CB 4.24Å; R278-I304 HydrophobicContact CG-CG2 4.4Å; R278-R305 PolarHBondContact NH2-O 3.22Å; R278-T320 HydrophobicContact CB-CG2 4.26Å; R278-T320 HydrophobicContact CG-CG2 3.67Å; R278-D384 IonicContact NH1-OD2 3.05Å
279	L	75.1	Confident	85.8	Confident	8 Å²	8	13.4 Å²	13.4	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-61.8	-47.8	178.1	-147.3	81.4	0	0	0	111.8	Y277 H282 I283 L965 L974 I994 M999	Y277-L279 PolarHBondContact O-N 2.95Å; Y277-L279 VanDerWaalsContact O-N 3.13Å; L279-H282 PolarHBondContact O-N 2.99Å; L279-I283 HydrophobicContact CD2-CD1 4.02Å; L279-I283 HydrophobicContact CG-CD1 3.85Å; L279-I283 WeakPolarHBondContact O-CB 3.14Å; L279-I283 WeakPolarHBondContact O-CD1 3.29Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.4Å; L279-I283 PolarHBondContact O-N 2.95Å; L279-L965 HydrophobicContact CD2-CD1 3.98Å; L279-L974 HydrophobicContact CD1-CD1 3.72Å; L279-L974 HydrophobicContact CD1-CD2 4.24Å; L279-L974 HydrophobicContact CD1-CG 4.29Å; L279-L974 HydrophobicContact CD2-CD2 4.01Å; L279-L974 HydrophobicContact CG-CD1 3.91Å; L279-L974 HydrophobicContact CG-CD2 4.3Å; L279-I994 HydrophobicContact CB-CD1 4.01Å; L279-I994 HydrophobicContact CD2-CD1 3.45Å; L279-I994 VanDerWaalsContact CD2-CD1 3.45Å; L279-I994 HydrophobicContact CD2-CG1 4.02Å; L279-I994 HydrophobicContact CG-CD1 4.31Å; L279-M999 HydrophobicContact CD2-CE 4.41Å; L279-M999 HydrophobicContact CD2-SD 3.71Å
280	Y	83.4	Confident	85.4	Confident	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-67.7	-41.8	-177.3	-59.2	-10.1	0	0	0	111.2	Q275 P276 Y277 H282 I283 N284 E345 I994 S997 S998 M999	Q275-Y280 VanDerWaalsContact OE1-CB 3.27Å; P276-Y280 HydrophobicContact CG-CD2 4.33Å; P276-Y280 HydrophobicContact CG-CE2 4.44Å; Y277-Y280 HydrophobicContact CD2-CD2 4Å; Y277-Y280 AromaticContact CD2-CE2 3.52Å; Y277-Y280 HydrophobicContact CD2-CE2 3.52Å; Y277-Y280 AromaticContact CD2-CZ 3.83Å; Y277-Y280 HydrophobicContact CE2-CE2 4.3Å; Y277-Y280 HydrophobicContact CG-CE2 4.4Å; Y277-Y280 PolarHBondContact O-N 2.94Å; Y277-Y280 VanDerWaalsContact O-N 3.08Å; Y280-H282 VanDerWaalsContact C-N 3.29Å; Y280-H282 PolarHBondContact O-N 3.33Å; Y280-I283 PolarHBondContact O-N 3.31Å; Y280-N284 VanDerWaalsContact O-CB 3.27Å; Y280-N284 WeakPolarHBondContact O-CB 3.25Å; Y280-N284 PolarHBondContact O-N 3.47Å; Y280-N284 PolarHBondContact O-ND2 3.37Å; Y280-E345 HydrophobicContact CD2-CG 4.26Å; Y280-E345 HydrophobicContact CE2-CG 4.39Å; Y280-I994 HydrophobicContact CE1-CD1 4.36Å; Y280-I994 HydrophobicContact CE1-CG1 3.67Å; Y280-I994 PolarHBondContact OH-O 3.09Å; Y280-S997 WeakPolarHBondContact OH-CB 3.13Å; Y280-S997 PolarHBondContact OH-OG 3.48Å; Y280-S998 VanDerWaalsContact CD2-CB 3.47Å; Y280-M999 HydrophobicContact CD1-CG 4.05Å; Y280-M999 HydrophobicContact CE1-CG 3.82Å; Y280-M999 HydrophobicContact CE1-SD 4.2Å
281	A	86.4	Confident	84.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-39.1	175.7	0	0	0	0	0	112.7	Q275 Y277 A285 Y302 I304 F318	Q275-A281 HydrophobicContact CB-CB 4.43Å; Q275-A281 HydrophobicContact CG-CB 4.44Å; Y277-A281 PolarHBondContact O-N 3.11Å; A281-A285 WeakPolarHBondContact O-CB 3.39Å; A281-Y302 WeakPolarHBondContact O-CB 3.15Å; A281-I304 HydrophobicContact CB-CG2 3.85Å; A281-F318 HydrophobicContact CB-CB 4.33Å; A281-F318 VanDerWaalsContact O-CB 3.28Å; A281-F318 WeakPolarHBondContact O-CB 3.24Å
282	H	85.5	Confident	84.3	Confident	11 Å²	11	21.2 Å²	21.2	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-70.4	-52	172.4	-179.4	-61.6	0	0	0	111.9	R278 L279 Y280 N284 A285 D286 Y302 E307 V971	R278-H282 PolarHBondContact O-N 3.15Å; L279-H282 PolarHBondContact O-N 2.99Å; Y280-H282 VanDerWaalsContact C-N 3.29Å; Y280-H282 PolarHBondContact O-N 3.33Å; H282-N284 PolarHBondContact O-N 3.05Å; H282-A285 PolarHBondContact O-N 2.66Å; H282-D286 PolarHBondContact O-N 3.21Å; H282-Y302 AromaticContact CD2-CE1 3.44Å; H282-Y302 VanDerWaalsContact CD2-CE1 3.44Å; H282-Y302 WeakPolarHBondContact CD2-CE1 3.39Å; H282-Y302 AromaticContact CD2-CE2 3.78Å; H282-Y302 AromaticContact CD2-CZ 3.23Å; H282-Y302 PolarHBondContact CD2-OH 3.12Å; H282-Y302 VanDerWaalsContact CD2-OH 3.28Å; H282-Y302 AromaticContact NE2-CE1 3.71Å; H282-Y302 AromaticContact NE2-CZ 3.74Å; H282-Y302 PolarHBondContact NE2-OH 3.04Å; H282-E307 IonicContact CD2-OE1 2.74Å; H282-V971 HydrophobicContact CB-CG1 4.47Å; H282-V971 WeakPolarHBondContact CD2-CG1 3.37Å; H282-V971 VanDerWaalsContact NE2-CG1 3.34Å; H282-V971 WeakPolarHBondContact NE2-CG1 3.37Å
283	I	82.7	Confident	83.8	Confident	12 Å²	12	23.6 Å²	23.6	6%	0.062	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-47.9	-174	-70.2	161.6	0	0	0	111.2	L279 Y280 A285 D286 R287 L974 Y978 M999	L279-I283 HydrophobicContact CD2-CD1 4.02Å; L279-I283 HydrophobicContact CG-CD1 3.85Å; L279-I283 WeakPolarHBondContact O-CB 3.14Å; L279-I283 WeakPolarHBondContact O-CD1 3.29Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.4Å; L279-I283 PolarHBondContact O-N 2.95Å; Y280-I283 PolarHBondContact O-N 3.31Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.11Å; I283-D286 PolarHBondContact O-N 3.4Å; I283-R287 VanDerWaalsContact O-CB 3.27Å; I283-R287 WeakPolarHBondContact O-CB 3.48Å; I283-R287 PolarHBondContact O-N 2.76Å; I283-L974 HydrophobicContact CD1-CD1 3.98Å; I283-L974 HydrophobicContact CD1-CD2 4.45Å; I283-L974 HydrophobicContact CG1-CD1 3.95Å; I283-Y978 HydrophobicContact CD1-CE2 4.07Å; I283-Y978 HydrophobicContact CG1-CE2 4.12Å; I283-Y978 HydrophobicContact CG2-CE2 4.13Å; I283-M999 HydrophobicContact CD1-CE 3.64Å; I283-M999 HydrophobicContact CD1-CG 3.92Å; I283-M999 HydrophobicContact CD1-SD 3.79Å
284	N	87.4	Confident	83.6	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-34.3	-174.8	-66.1	-28.9	0	0	0	111.4	T251 Q275 Y280 H282 L288 F318 S998	T251-N284 HydrophobicContact CG2-CB 4.08Å; T251-N284 WeakPolarHBondContact CG2-ND2 3.48Å; Q275-N284 PolarHBondContact OE1-ND2 3.42Å; Q275-N284 VanDerWaalsContact OE1-ND2 3.08Å; Y280-N284 VanDerWaalsContact O-CB 3.27Å; Y280-N284 WeakPolarHBondContact O-CB 3.25Å; Y280-N284 PolarHBondContact O-N 3.47Å; Y280-N284 PolarHBondContact O-ND2 3.37Å; H282-N284 PolarHBondContact O-N 3.05Å; N284-L288 VanDerWaalsContact O-CB 3.25Å; N284-L288 WeakPolarHBondContact O-CB 3.22Å; N284-L288 PolarHBondContact O-N 2.81Å; N284-F318 HydrophobicContact CB-CD1 3.86Å; N284-F318 HydrophobicContact CB-CE1 3.6Å; N284-F318 HydrophobicContact CB-CZ 4.04Å; N284-S998 PolarHBondContact ND2-OG 2.98Å
285	A	90.6	Very high	83.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-45.7	170.3	0	0	0	0	0	113.1	A281 H282 I283 S289 T296 V300 Y302 F318	A281-A285 WeakPolarHBondContact O-CB 3.39Å; H282-A285 PolarHBondContact O-N 2.66Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.11Å; A285-S289 WeakPolarHBondContact O-CB 3.43Å; A285-S289 PolarHBondContact O-N 2.94Å; A285-S289 PolarHBondContact O-OG 3.11Å; A285-T296 HydrophobicContact CB-CG2 3.9Å; A285-V300 HydrophobicContact CB-CG1 4.37Å; A285-Y302 HydrophobicContact CB-CD1 4.03Å; A285-Y302 HydrophobicContact CB-CG 4.39Å; A285-F318 VanDerWaalsContact CA-CD2 3.48Å; A285-F318 HydrophobicContact CB-CB 4.17Å; A285-F318 HydrophobicContact CB-CD2 3.59Å; A285-F318 HydrophobicContact CB-CE2 4.32Å; A285-F318 HydrophobicContact CB-CG 4.14Å
286	D	86	Confident	83.6	Confident	33 Å²	33	29.1 Å²	29.1	18%	0.176	15%	0.154	C	C	.	.	H	α-helix	trans	-69	-42.9	-178.6	-152.7	31.6	0	0	0	111.3	H282 I283 S289 Q290 T296	H282-D286 PolarHBondContact O-N 3.21Å; I283-D286 PolarHBondContact O-N 3.4Å; D286-S289 WeakPolarHBondContact O-CB 3.35Å; D286-S289 PolarHBondContact O-N 2.9Å; D286-Q290 VanDerWaalsContact O-CG 3.23Å; D286-Q290 WeakPolarHBondContact O-CG 3.2Å; D286-Q290 PolarHBondContact O-N 2.91Å; D286-Q290 PolarHBondContact O-NE2 2.89Å; D286-Q290 PolarHBondContact OD2-NE2 3.19Å; D286-T296 HydrophobicContact CB-CG2 4.25Å; D286-T296 PolarHBondContact OD1-OG1 3.32Å
287	R	80.7	Confident	84.2	Confident	51 Å²	51	28.8 Å²	28.8	19%	0.192	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-46.3	174.5	-173.8	177.8	-172	177.7	16.3	112.2	T252 I283 Q290 I291 T1000	T252-R287 HydrophobicContact CG2-CG 4.42Å; I283-R287 VanDerWaalsContact O-CB 3.27Å; I283-R287 WeakPolarHBondContact O-CB 3.48Å; I283-R287 PolarHBondContact O-N 2.76Å; R287-Q290 WeakPolarHBondContact O-CB 3.44Å; R287-Q290 PolarHBondContact O-N 3.26Å; R287-I291 HydrophobicContact CG-CD1 4.15Å; R287-I291 WeakPolarHBondContact O-CG1 3.42Å; R287-I291 PolarHBondContact O-N 3.35Å; R287-T1000 VanDerWaalsContact CZ-OG1 3.25Å; R287-T1000 PolarHBondContact NH1-OG1 3.05Å; R287-T1000 PolarHBondContact NH2-OG1 3.02Å
288	L	87.1	Confident	85	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-72.3	-30.9	179.5	-178.5	52.4	0	0	0	112.4	P255 Q256 N284 I291 R292 V300 L316 F318	P255-L288 HydrophobicContact CB-CD2 4.01Å; Q256-L288 HydrophobicContact CB-CD1 3.83Å; Q256-L288 HydrophobicContact CG-CD1 4.3Å; N284-L288 VanDerWaalsContact O-CB 3.25Å; N284-L288 WeakPolarHBondContact O-CB 3.22Å; N284-L288 PolarHBondContact O-N 2.81Å; L288-I291 HydrophobicContact CD1-CB 4.2Å; L288-I291 HydrophobicContact CD1-CG2 4.16Å; L288-I291 PolarHBondContact O-N 3.43Å; L288-R292 HydrophobicContact CD1-CG 4.37Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-N 2.89Å; L288-R292 VanDerWaalsContact O-N 3.09Å; L288-V300 HydrophobicContact CB-CG1 4.35Å; L288-V300 HydrophobicContact CG-CG1 4.42Å; L288-V300 HydrophobicContact CG-CG2 4.23Å; L288-L316 HydrophobicContact CD2-CD2 3.37Å; L288-F318 HydrophobicContact CB-CE2 4.43Å; L288-F318 HydrophobicContact CD2-CE2 4.04Å; L288-F318 HydrophobicContact CD2-CZ 4.03Å
289	S	89.1	Confident	85.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-47.9	168.7	-56.7	0	0	0	0	110.8	A285 D286 I291 R292 G293 E294 T296	A285-S289 WeakPolarHBondContact O-CB 3.43Å; A285-S289 PolarHBondContact O-N 2.94Å; A285-S289 PolarHBondContact O-OG 3.11Å; D286-S289 WeakPolarHBondContact O-CB 3.35Å; D286-S289 PolarHBondContact O-N 2.9Å; S289-I291 PolarHBondContact O-N 2.82Å; S289-R292 PolarHBondContact O-N 3.26Å; S289-R292 VanDerWaalsContact O-N 3.08Å; S289-G293 PolarHBondContact O-N 3.28Å; S289-E294 CarbonylContact C-O 3.28Å; S289-E294 VanDerWaalsContact C-O 3.28Å; S289-E294 WeakPolarHBondContact CB-O 3.44Å; S289-E294 PolarHBondContact O-N 3.25Å; S289-E294 VanDerWaalsContact O-O 3.12Å; S289-T296 WeakPolarHBondContact OG-CA 3.36Å; S289-T296 WeakPolarHBondContact OG-CG2 3.44Å; S289-T296 PolarHBondContact OG-N 2.86Å
290	Q	83.2	Confident	86.6	Confident	125 Å²	125	26.4 Å²	26.4	58%	0.584	15%	0.149	S	C	*	.	H	α-helix	trans	-60.8	-41.6	176.8	-67.6	164	31.5	0	0	112.2	D286 R287 R292 G293	D286-Q290 VanDerWaalsContact O-CG 3.23Å; D286-Q290 WeakPolarHBondContact O-CG 3.2Å; D286-Q290 PolarHBondContact O-N 2.91Å; D286-Q290 PolarHBondContact O-NE2 2.89Å; D286-Q290 PolarHBondContact OD2-NE2 3.19Å; R287-Q290 WeakPolarHBondContact O-CB 3.44Å; R287-Q290 PolarHBondContact O-N 3.26Å; Q290-R292 PolarHBondContact O-N 3.37Å; Q290-G293 PolarHBondContact O-N 3.06Å
291	I	79.5	Confident	87	Confident	48 Å²	48	26.4 Å²	26.4	25%	0.246	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-32.5	174.2	-72.2	166.2	0	0	0	112	I205 R287 L288 S289	I205-I291 WeakPolarHBondContact CD1-O 3.33Å; R287-I291 HydrophobicContact CG-CD1 4.15Å; R287-I291 WeakPolarHBondContact O-CG1 3.42Å; R287-I291 PolarHBondContact O-N 3.35Å; L288-I291 HydrophobicContact CD1-CB 4.2Å; L288-I291 HydrophobicContact CD1-CG2 4.16Å; L288-I291 PolarHBondContact O-N 3.43Å; S289-I291 PolarHBondContact O-N 2.82Å
292	R	84	Confident	87.2	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.5	175.8	-66	-179.2	64.8	78.6	7	114.2	P201 S204 Q256 V259 D260 L288 S289 Q290 E294	P201-R292 PolarHBondContact O-NH2 3.29Å; S204-R292 WeakPolarHBondContact CB-O 3.23Å; S204-R292 PolarHBondContact N-O 3.34Å; S204-R292 VanDerWaalsContact N-O 3.15Å; S204-R292 PolarHBondContact OG-O 2.88Å; Q256-R292 VanDerWaalsContact NE2-NH1 3.11Å; V259-R292 VanDerWaalsContact CG1-NH1 3.35Å; D260-R292 IonicContact OD1-CZ 2.81Å; D260-R292 IonicContact OD1-NH1 3.44Å; D260-R292 PolarHBondContact OD1-NH1 3.44Å; L288-R292 HydrophobicContact CD1-CG 4.37Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-N 2.89Å; L288-R292 VanDerWaalsContact O-N 3.09Å; S289-R292 PolarHBondContact O-N 3.26Å; S289-R292 VanDerWaalsContact O-N 3.08Å; Q290-R292 PolarHBondContact O-N 3.37Å; R292-E294 VanDerWaalsContact C-N 3.25Å; R292-E294 HydrophobicContact CB-CB 4.25Å; R292-E294 HydrophobicContact CB-CG 3.96Å; R292-E294 IonicContact CZ-OE1 2.84Å; R292-E294 IonicContact NE-OE1 3.81Å; R292-E294 PolarHBondContact NE-OE1 3.41Å; R292-E294 IonicContact NH2-OE1 3.52Å; R292-E294 PolarHBondContact NH2-OE1 3.45Å
293	G	82.8	Confident	87.3	Confident	52 Å²	52	26.8 Å²	26.8	54%	0.536	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	21.6	-169.1	0	0	0	0	0	113.6	S289 Q290	S289-G293 PolarHBondContact O-N 3.28Å; Q290-G293 PolarHBondContact O-N 3.06Å
294	E	89.5	Confident	87.1	Confident	19 Å²	19	26.3 Å²	26.3	9%	0.089	15%	0.148	C	C	.	.			trans	-106.9	164	-176	-70.3	-174.4	-129.3	0	0	111.9	S289 R292 Q298 T299	S289-E294 CarbonylContact C-O 3.28Å; S289-E294 VanDerWaalsContact C-O 3.28Å; S289-E294 WeakPolarHBondContact CB-O 3.44Å; S289-E294 PolarHBondContact O-N 3.25Å; S289-E294 VanDerWaalsContact O-O 3.12Å; R292-E294 VanDerWaalsContact C-N 3.25Å; R292-E294 HydrophobicContact CB-CB 4.25Å; R292-E294 HydrophobicContact CB-CG 3.96Å; R292-E294 IonicContact CZ-OE1 2.84Å; R292-E294 IonicContact NE-OE1 3.81Å; R292-E294 PolarHBondContact NE-OE1 3.41Å; R292-E294 IonicContact NH2-OE1 3.52Å; R292-E294 PolarHBondContact NH2-OE1 3.45Å; E294-Q298 HydrophobicContact CB-CB 4.35Å; E294-Q298 VanDerWaalsContact CB-OE1 3.32Å; E294-Q298 VanDerWaalsContact OE2-CB 3.28Å; E294-Q298 WeakPolarHBondContact OE2-CB 3.38Å; E294-T299 VanDerWaalsContact CD-OG1 3.24Å; E294-T299 PolarHBondContact OE1-OG1 2.98Å; E294-T299 VanDerWaalsContact OE1-OG1 3.09Å; E294-T299 WeakPolarHBondContact OE2-CB 3.36Å; E294-T299 PolarHBondContact OE2-N 3.03Å; E294-T299 PolarHBondContact OE2-OG1 3.19Å
295	T	88.5	Confident	86.1	Confident	89 Å²	89	26.9 Å²	26.9	55%	0.546	15%	0.15	S	C	.	.			trans	-95.7	139.5	167.4	59.9	0	0	0	0	110.9	G297 Q298	T295-G297 PolarHBondContact O-N 2.88Å; T295-Q298 VanDerWaalsContact O-CB 3.29Å; T295-Q298 WeakPolarHBondContact O-CB 3.31Å; T295-Q298 WeakPolarHBondContact O-CG 3.42Å; T295-Q298 PolarHBondContact O-N 2.98Å; T295-Q298 VanDerWaalsContact OG1-CD 3.25Å; T295-Q298 PolarHBondContact OG1-NE2 2.74Å
296	T	89.9	Confident	84.8	Confident	8 Å²	8	30.1 Å²	30.1	5%	0.049	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	130.2	173.8	11	0	0	0	0	110.7	A285 D286 S289 Y302 K309	A285-T296 HydrophobicContact CB-CG2 3.9Å; D286-T296 HydrophobicContact CB-CG2 4.25Å; D286-T296 PolarHBondContact OD1-OG1 3.32Å; S289-T296 WeakPolarHBondContact OG-CA 3.36Å; S289-T296 WeakPolarHBondContact OG-CG2 3.44Å; S289-T296 PolarHBondContact OG-N 2.86Å; T296-Y302 HydrophobicContact CG2-CD1 4.09Å; T296-Y302 HydrophobicContact CG2-CE1 4.37Å; T296-K309 WeakPolarHBondContact O-CE 3.32Å; T296-K309 PolarHBondContact OG1-NZ 3.48Å
297	G	87.3	Confident	84.1	Confident	15 Å²	15	31.6 Å²	31.6	16%	0.155	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.3	-4.8	-170.3	0	0	0	0	0	114.3	T295 V300 K309 S311 T314	T295-G297 PolarHBondContact O-N 2.88Å; G297-V300 PolarHBondContact N-O 3.32Å; G297-K309 WeakPolarHBondContact CA-O 3.5Å; G297-S311 VanDerWaalsContact O-CB 3.28Å; G297-S311 WeakPolarHBondContact O-CB 3.23Å; G297-S311 PolarHBondContact O-OG 3.44Å; G297-T314 PolarHBondContact O-OG1 3.1Å
298	Q	89.5	Confident	84.2	Confident	83 Å²	83	32 Å²	32	39%	0.388	18%	0.183	S	C	.	.	S	Bend	trans	-82	-124.8	165.1	-65.7	179.4	-22.5	0	0	109.4	E294 T295 V300 K313 T314	E294-Q298 HydrophobicContact CB-CB 4.35Å; E294-Q298 VanDerWaalsContact CB-OE1 3.32Å; E294-Q298 VanDerWaalsContact OE2-CB 3.28Å; E294-Q298 WeakPolarHBondContact OE2-CB 3.38Å; T295-Q298 VanDerWaalsContact O-CB 3.29Å; T295-Q298 WeakPolarHBondContact O-CB 3.31Å; T295-Q298 WeakPolarHBondContact O-CG 3.42Å; T295-Q298 PolarHBondContact O-N 2.98Å; T295-Q298 VanDerWaalsContact OG1-CD 3.25Å; T295-Q298 PolarHBondContact OG1-NE2 2.74Å; Q298-V300 PolarHBondContact O-N 2.91Å; Q298-K313 CarbonylContact O-C 3.31Å; Q298-T314 WeakPolarHBondContact O-CA 3.37Å; Q298-T314 WeakPolarHBondContact O-CB 3.46Å; Q298-T314 PolarHBondContact O-N 3.29Å; Q298-T314 PolarHBondContact O-OG1 3.32Å
299	T	91.4	Very high	84.2	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.037	20%	0.2	C	C	.	.	S	Bend	trans	-63.6	-32.5	179.7	-46.8	0	0	0	0	111.9	P201 V259 E294 L315 L316	P201-T299 HydrophobicContact CG-CG2 4.25Å; P201-T299 WeakPolarHBondContact CG-OG1 3.12Å; V259-T299 HydrophobicContact CG1-CG2 4.38Å; E294-T299 VanDerWaalsContact CD-OG1 3.24Å; E294-T299 PolarHBondContact OE1-OG1 2.98Å; E294-T299 VanDerWaalsContact OE1-OG1 3.09Å; E294-T299 WeakPolarHBondContact OE2-CB 3.36Å; E294-T299 PolarHBondContact OE2-N 3.03Å; E294-T299 PolarHBondContact OE2-OG1 3.19Å; T299-L315 HydrophobicContact CG2-CB 4.32Å; T299-L315 HydrophobicContact CG2-CD1 4.34Å; T299-L315 HydrophobicContact CG2-CG 4.41Å; T299-L315 PolarHBondContact O-N 2.94Å; T299-L316 PolarHBondContact O-N 3.12Å
300	V	93.3	Very high	84.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136	-179.1	-175.2	0	0	0	0	109.8	A285 L288 G297 Q298 L316 F318	A285-V300 HydrophobicContact CB-CG1 4.37Å; L288-V300 HydrophobicContact CB-CG1 4.35Å; L288-V300 HydrophobicContact CG-CG1 4.42Å; L288-V300 HydrophobicContact CG-CG2 4.23Å; G297-V300 PolarHBondContact N-O 3.32Å; Q298-V300 PolarHBondContact O-N 2.91Å; V300-L316 WeakPolarHBondContact CA-O 3.45Å; V300-L316 HydrophobicContact CG1-CD2 4.34Å; V300-L316 HydrophobicContact CG1-CG 4.42Å; V300-L316 HydrophobicContact CG2-CB 4.39Å; V300-L316 HydrophobicContact CG2-CD2 4.22Å; V300-F318 HydrophobicContact CG1-CD2 4.17Å; V300-F318 HydrophobicContact CG1-CE2 3.91Å
301	G	92.2	Very high	84.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-179.3	179.6	0	0	0	0	0	112.6	K309 L316 T317 F318	G301-K309 VanDerWaalsContact CA-O 3.24Å; G301-K309 WeakPolarHBondContact CA-O 3.33Å; G301-L316 PolarHBondContact N-O 2.86Å; G301-T317 WeakPolarHBondContact O-CA 3.44Å; G301-F318 PolarHBondContact O-N 3.25Å
302	Y	91.6	Very high	84.3	Confident	12 Å²	12	35.7 Å²	35.7	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.6	176.1	67.8	-92.9	0	0	0	113.7	A281 H282 A285 T296 I304 E307 K309 V310 F318	A281-Y302 WeakPolarHBondContact O-CB 3.15Å; H282-Y302 AromaticContact CD2-CE1 3.44Å; H282-Y302 VanDerWaalsContact CD2-CE1 3.44Å; H282-Y302 WeakPolarHBondContact CD2-CE1 3.39Å; H282-Y302 AromaticContact CD2-CE2 3.78Å; H282-Y302 AromaticContact CD2-CZ 3.23Å; H282-Y302 PolarHBondContact CD2-OH 3.12Å; H282-Y302 VanDerWaalsContact CD2-OH 3.28Å; H282-Y302 AromaticContact NE2-CE1 3.71Å; H282-Y302 AromaticContact NE2-CZ 3.74Å; H282-Y302 PolarHBondContact NE2-OH 3.04Å; A285-Y302 HydrophobicContact CB-CD1 4.03Å; A285-Y302 HydrophobicContact CB-CG 4.39Å; T296-Y302 HydrophobicContact CG2-CD1 4.09Å; T296-Y302 HydrophobicContact CG2-CE1 4.37Å; Y302-I304 HydrophobicContact CD2-CG1 4.45Å; Y302-E307 HydrophobicContact CE2-CG 4.18Å; Y302-E307 VanDerWaalsContact CE2-OE1 3.26Å; Y302-E307 WeakPolarHBondContact CE2-OE1 3.42Å; Y302-E307 VanDerWaalsContact CZ-OE1 3.3Å; Y302-E307 PolarHBondContact OH-OE1 3.38Å; Y302-K309 HydrophobicContact CD1-CB 3.88Å; Y302-K309 HydrophobicContact CE1-CB 3.4Å; Y302-K309 VanDerWaalsContact CE1-CB 3.4Å; Y302-K309 HydrophobicContact CE1-CD 3.76Å; Y302-K309 HydrophobicContact CE1-CG 4.21Å; Y302-K309 HydrophobicContact CE2-CB 4.24Å; Y302-K309 HydrophobicContact CG-CB 4.46Å; Y302-K309 PolarHBondContact N-O 3.12Å; Y302-K309 PolarHBondContact O-N 3.33Å; Y302-V310 WeakPolarHBondContact O-CG2 3.24Å; Y302-F318 CarbonylContact C-O 3.41Å; Y302-F318 WeakPolarHBondContact CA-O 3.48Å
303	Q	86.8	Confident	84.4	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	115.5	176.1	-176.6	63.8	62.3	0	0	110.5	R191 L192 E307 S308 V310 T317 F318 C319 V323	R191-Q303 WeakPolarHBondContact O-CG 3.48Å; R191-Q303 PolarHBondContact O-OE1 2.91Å; L192-Q303 HydrophobicContact CD2-CB 3.78Å; L192-Q303 HydrophobicContact CD2-CG 4.14Å; Q303-E307 PolarHBondContact NE2-O 2.58Å; Q303-S308 PolarHBondContact OE1-OG 3.02Å; Q303-V310 HydrophobicContact CB-CG2 4.27Å; Q303-T317 HydrophobicContact CB-CG2 4.04Å; Q303-F318 PolarHBondContact N-O 2.73Å; Q303-C319 HydrophobicContact CB-CB 4.42Å; Q303-C319 VanDerWaalsContact O-CA 3.22Å; Q303-C319 WeakPolarHBondContact O-CA 2.89Å; Q303-C319 VanDerWaalsContact O-CB 3.23Å; Q303-C319 WeakPolarHBondContact O-CB 3.39Å; Q303-V323 HydrophobicContact CB-CG1 4.27Å; Q303-V323 HydrophobicContact CG-CG1 3.74Å
304	I	78.8	Confident	84.7	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-179.9	174.8	61.6	179.8	0	0	0	109.8	R278 A281 Y302 L306 E307 T320	R278-I304 HydrophobicContact CB-CB 4.48Å; R278-I304 HydrophobicContact CB-CD1 4.23Å; R278-I304 HydrophobicContact CB-CG2 4.31Å; R278-I304 HydrophobicContact CG-CB 4.24Å; R278-I304 HydrophobicContact CG-CG2 4.4Å; A281-I304 HydrophobicContact CB-CG2 3.85Å; Y302-I304 HydrophobicContact CD2-CG1 4.45Å; I304-L306 PolarHBondContact O-N 3.5Å; I304-E307 CarbonylContact C-O 3.55Å; I304-E307 HydrophobicContact CD1-CB 4.11Å; I304-E307 HydrophobicContact CG1-CB 3.77Å; I304-E307 WeakPolarHBondContact CG1-O 3.43Å; I304-E307 PolarHBondContact N-O 2.8Å; I304-T320 HydrophobicContact CG2-CG2 4.3Å
305	R	67.2	Low	84.9	Confident	14 Å²	14	39.5 Å²	39.5	5%	0.053	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	132.7	177.1	-157.3	175.4	-176.9	89.8	-6.9	109.7	R278 E307 W381 C382 D384 D1138 Q1247	R278-R305 PolarHBondContact NH2-O 3.22Å; R305-E307 PolarHBondContact O-N 3.25Å; R305-E307 VanDerWaalsContact O-N 3.08Å; R305-W381 PolarHBondContact NH1-O 3.27Å; R305-W381 VanDerWaalsContact NH1-O 3.11Å; R305-C382 PolarHBondContact NH1-SG 3.11Å; R305-D384 VanDerWaalsContact CD-OD1 3.28Å; R305-D384 WeakPolarHBondContact CD-OD1 3.29Å; R305-D384 VanDerWaalsContact CD-OD2 3.31Å; R305-D384 WeakPolarHBondContact CD-OD2 3.01Å; R305-D1138 IonicContact CZ-OD1 2.79Å; R305-D1138 IonicContact NH1-OD1 2.51Å; R305-D1138 PolarHBondContact NH2-O 2.96Å; R305-D1138 IonicContact NH2-OD1 2.71Å; R305-D1138 PolarHBondContact NH2-OD1 2.78Å; R305-Q1247 VanDerWaalsContact CZ-OE1 3.31Å
306	L	62.8	Low	85.1	Confident	68 Å²	68	35.2 Å²	35.2	36%	0.356	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	0.1	-177.5	-45.8	-175	0	0	0	117.1	T189 I304 A1250	T189-L306 WeakPolarHBondContact OG1-CD2 3.33Å; I304-L306 PolarHBondContact O-N 3.5Å; L306-A1250 HydrophobicContact CD2-CB 3.89Å
307	E	71.7	Confident	85.3	Confident	64 Å²	64	35.2 Å²	35.2	30%	0.299	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.7	-177.7	-167.3	-165	142.5	0	0	111.4	H282 Y302 Q303 I304 R305	H282-E307 IonicContact CD2-OE1 2.74Å; Y302-E307 HydrophobicContact CE2-CG 4.18Å; Y302-E307 VanDerWaalsContact CE2-OE1 3.26Å; Y302-E307 WeakPolarHBondContact CE2-OE1 3.42Å; Y302-E307 VanDerWaalsContact CZ-OE1 3.3Å; Y302-E307 PolarHBondContact OH-OE1 3.38Å; Q303-E307 PolarHBondContact NE2-O 2.58Å; I304-E307 CarbonylContact C-O 3.55Å; I304-E307 HydrophobicContact CD1-CB 4.11Å; I304-E307 HydrophobicContact CG1-CB 3.77Å; I304-E307 WeakPolarHBondContact CG1-O 3.43Å; I304-E307 PolarHBondContact N-O 2.8Å; R305-E307 PolarHBondContact O-N 3.25Å; R305-E307 VanDerWaalsContact O-N 3.08Å
308	S	82.1	Confident	85.6	Confident	59 Å²	59	34.5 Å²	34.5	41%	0.413	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146	-177	-173.6	0	0	0	0	111.3	Q303	Q303-S308 PolarHBondContact OE1-OG 3.02Å
309	K	87.4	Confident	85.7	Confident	81 Å²	81	30.6 Å²	30.6	35%	0.352	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	60.9	168.6	-155.4	169.4	177.1	-152.1	0	109.8	T296 G297 G301 Y302	T296-K309 WeakPolarHBondContact O-CE 3.32Å; T296-K309 PolarHBondContact OG1-NZ 3.48Å; G297-K309 WeakPolarHBondContact CA-O 3.5Å; G301-K309 VanDerWaalsContact CA-O 3.24Å; G301-K309 WeakPolarHBondContact CA-O 3.33Å; Y302-K309 HydrophobicContact CD1-CB 3.88Å; Y302-K309 HydrophobicContact CE1-CB 3.4Å; Y302-K309 VanDerWaalsContact CE1-CB 3.4Å; Y302-K309 HydrophobicContact CE1-CD 3.76Å; Y302-K309 HydrophobicContact CE1-CG 4.21Å; Y302-K309 HydrophobicContact CE2-CB 4.24Å; Y302-K309 HydrophobicContact CG-CB 4.46Å; Y302-K309 PolarHBondContact N-O 3.12Å; Y302-K309 PolarHBondContact O-N 3.33Å
310	V	86.7	Confident	85.3	Confident	27 Å²	27	30.5 Å²	30.5	16%	0.164	16%	0.162	C	C	.	.			trans	-116.7	143.1	178.7	-175.8	0	0	0	0	109.1	M193 Y302 Q303 T314 T317	M193-V310 HydrophobicContact CB-CG1 4.18Å; M193-V310 HydrophobicContact CG-CG1 4.43Å; Y302-V310 WeakPolarHBondContact O-CG2 3.24Å; Q303-V310 HydrophobicContact CB-CG2 4.27Å; V310-T314 HydrophobicContact CG1-CG2 4.07Å; V310-T317 HydrophobicContact CG2-CG2 3.82Å
311	S	85.2	Confident	84.6	Confident	35 Å²	35	31 Å²	31	25%	0.245	17%	0.165	C	C	.	.			trans	-130.3	172.8	170.6	81.6	0	0	0	0	111.4	G297 K313 T314	G297-S311 VanDerWaalsContact O-CB 3.28Å; G297-S311 WeakPolarHBondContact O-CB 3.23Å; G297-S311 PolarHBondContact O-OG 3.44Å; S311-K313 PolarHBondContact O-N 3.43Å; S311-K313 PolarHBondContact OG-N 3.2Å; S311-T314 PolarHBondContact N-OG1 3.13Å; S311-T314 VanDerWaalsContact O-CB 3.3Å; S311-T314 WeakPolarHBondContact O-CB 3.42Å; S311-T314 PolarHBondContact O-N 2.86Å; S311-T314 PolarHBondContact O-OG1 2.96Å
312	P	82.3	Confident	83.6	Confident	107 Å²	107	31.3 Å²	31.3	70%	0.695	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.3	172.9	-25.9	36.4	0	0	0	115.1	Q198	Q198-P312 PolarHBondContact NE2-O 3.35Å; Q198-P312 VanDerWaalsContact NE2-O 3.13Å
313	K	84.8	Confident	82.9	Confident	148 Å²	148	30.8 Å²	30.8	64%	0.643	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.9	173.7	-60.5	-174.6	177.4	-175.2	0	113.4	Q298 S311 L315	Q298-K313 CarbonylContact O-C 3.31Å; S311-K313 PolarHBondContact O-N 3.43Å; S311-K313 PolarHBondContact OG-N 3.2Å; K313-L315 PolarHBondContact O-N 3.26Å
314	T	90.3	Very high	82.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.			trans	-81.9	116	-176.3	-55.1	0	0	0	0	110.7	T195 G297 Q298 V310 S311 L316	T195-T314 PolarHBondContact OG1-O 3.17Å; G297-T314 PolarHBondContact O-OG1 3.1Å; Q298-T314 WeakPolarHBondContact O-CA 3.37Å; Q298-T314 WeakPolarHBondContact O-CB 3.46Å; Q298-T314 PolarHBondContact O-N 3.29Å; Q298-T314 PolarHBondContact O-OG1 3.32Å; V310-T314 HydrophobicContact CG1-CG2 4.07Å; S311-T314 PolarHBondContact N-OG1 3.13Å; S311-T314 VanDerWaalsContact O-CB 3.3Å; S311-T314 WeakPolarHBondContact O-CB 3.42Å; S311-T314 PolarHBondContact O-N 2.86Å; S311-T314 PolarHBondContact O-OG1 2.96Å; T314-L316 VanDerWaalsContact CG2-O 3.32Å; T314-L316 WeakPolarHBondContact CG2-O 3.23Å
315	L	92.5	Very high	82.4	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.016	17%	0.165	C	C	.	.			trans	-105.8	-32.5	-178	-52.1	-178.1	0	0	0	111.2	Q198 P200 R270 I271 T299 K313	Q198-L315 HydrophobicContact CB-CD1 4.11Å; Q198-L315 HydrophobicContact CB-CD2 3.82Å; Q198-L315 HydrophobicContact CG-CD2 4.31Å; P200-L315 HydrophobicContact CB-CD1 3.85Å; R270-L315 CarbonylContact C-O 3.59Å; R270-L315 WeakPolarHBondContact CA-O 3.48Å; I271-L315 PolarHBondContact N-O 2.67Å; T299-L315 HydrophobicContact CG2-CB 4.32Å; T299-L315 HydrophobicContact CG2-CD1 4.34Å; T299-L315 HydrophobicContact CG2-CG 4.41Å; T299-L315 PolarHBondContact O-N 2.94Å; K313-L315 PolarHBondContact O-N 3.26Å
316	L	94.1	Very high	82.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.6	170.4	172.5	59.4	0	0	0	109.9	P255 V259 I271 C273 L288 T299 V300 G301 T314 F318	P255-L316 HydrophobicContact CB-CD1 4.16Å; P255-L316 HydrophobicContact CB-CD2 3.52Å; V259-L316 HydrophobicContact CG2-CB 4.33Å; V259-L316 HydrophobicContact CG2-CD2 4.42Å; I271-L316 HydrophobicContact CB-CD1 3.77Å; I271-L316 HydrophobicContact CG2-CD1 3.62Å; I271-L316 WeakPolarHBondContact O-CA 3.39Å; C273-L316 HydrophobicContact CB-CD1 4.36Å; L288-L316 HydrophobicContact CD2-CD2 3.37Å; T299-L316 PolarHBondContact O-N 3.12Å; V300-L316 WeakPolarHBondContact CA-O 3.45Å; V300-L316 HydrophobicContact CG1-CD2 4.34Å; V300-L316 HydrophobicContact CG1-CG 4.42Å; V300-L316 HydrophobicContact CG2-CB 4.39Å; V300-L316 HydrophobicContact CG2-CD2 4.22Å; G301-L316 PolarHBondContact N-O 2.86Å; T314-L316 VanDerWaalsContact CG2-O 3.32Å; T314-L316 WeakPolarHBondContact CG2-O 3.23Å; L316-F318 HydrophobicContact CD2-CE2 3.98Å; L316-F318 HydrophobicContact CD2-CZ 4.41Å; L316-F318 HydrophobicContact CG-CD2 4.49Å; L316-F318 HydrophobicContact CG-CE2 4.11Å
317	T	94	Very high	82.9	Confident	8 Å²	8	27 Å²	27	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.7	176.1	-52.2	0	0	0	0	110.9	L192 I271 I272 C273 G301 Q303 V310	L192-T317 HydrophobicContact CD2-CG2 3.51Å; I271-T317 PolarHBondContact O-N 2.66Å; I272-T317 WeakPolarHBondContact CA-O 3.48Å; C273-T317 PolarHBondContact N-O 2.88Å; G301-T317 WeakPolarHBondContact O-CA 3.44Å; Q303-T317 HydrophobicContact CB-CG2 4.04Å; V310-T317 HydrophobicContact CG2-CG2 3.82Å
318	F	93.6	Very high	83	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.9	166.3	-69.4	-95	0	0	0	110.4	P255 C273 Q275 A281 N284 A285 L288 V300 G301 Y302 Q303 L316	P255-F318 HydrophobicContact CG-CZ 4.47Å; C273-F318 HydrophobicContact CB-CD1 3.72Å; C273-F318 HydrophobicContact CB-CE1 3.89Å; C273-F318 HydrophobicContact CB-CG 4.31Å; C273-F318 CarbonylContact O-C 3.44Å; C273-F318 VanDerWaalsContact O-CA 3.28Å; C273-F318 WeakPolarHBondContact O-CA 3.04Å; Q275-F318 HydrophobicContact CG-CD1 4.43Å; A281-F318 HydrophobicContact CB-CB 4.33Å; A281-F318 VanDerWaalsContact O-CB 3.28Å; A281-F318 WeakPolarHBondContact O-CB 3.24Å; N284-F318 HydrophobicContact CB-CD1 3.86Å; N284-F318 HydrophobicContact CB-CE1 3.6Å; N284-F318 HydrophobicContact CB-CZ 4.04Å; A285-F318 VanDerWaalsContact CA-CD2 3.48Å; A285-F318 HydrophobicContact CB-CB 4.17Å; A285-F318 HydrophobicContact CB-CD2 3.59Å; A285-F318 HydrophobicContact CB-CE2 4.32Å; A285-F318 HydrophobicContact CB-CG 4.14Å; L288-F318 HydrophobicContact CB-CE2 4.43Å; L288-F318 HydrophobicContact CD2-CE2 4.04Å; L288-F318 HydrophobicContact CD2-CZ 4.03Å; V300-F318 HydrophobicContact CG1-CD2 4.17Å; V300-F318 HydrophobicContact CG1-CE2 3.91Å; G301-F318 PolarHBondContact O-N 3.25Å; Y302-F318 CarbonylContact C-O 3.41Å; Y302-F318 WeakPolarHBondContact CA-O 3.48Å; Q303-F318 PolarHBondContact N-O 2.73Å; L316-F318 HydrophobicContact CD2-CE2 3.98Å; L316-F318 HydrophobicContact CD2-CZ 4.41Å; L316-F318 HydrophobicContact CG-CD2 4.49Å; L316-F318 HydrophobicContact CG-CE2 4.11Å
319	C	90.6	Very high	82.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	171.9	177.7	64	0	0	0	0	111.6	L192 C273 S274 Q275 Q303 V323	L192-C319 HydrophobicContact CD2-CB 4.03Å; C273-C319 PolarHBondContact O-N 2.88Å; S274-C319 CarbonylContact C-O 3.4Å; S274-C319 WeakPolarHBondContact CA-O 3.41Å; Q275-C319 PolarHBondContact N-O 2.72Å; Q303-C319 HydrophobicContact CB-CB 4.42Å; Q303-C319 VanDerWaalsContact O-CA 3.22Å; Q303-C319 WeakPolarHBondContact O-CA 2.89Å; Q303-C319 VanDerWaalsContact O-CB 3.23Å; Q303-C319 WeakPolarHBondContact O-CB 3.39Å; C319-V323 HydrophobicContact CB-CB 4Å; C319-V323 HydrophobicContact CB-CG1 3.67Å
320	T	83.9	Confident	80.7	Confident	5 Å²	5	19.5 Å²	19.5	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	153.3	166.2	60.2	0	0	0	0	111	Q275 R278 I304 G322 V323 L324	Q275-T320 CarbonylContact O-C 3.54Å; Q275-T320 WeakPolarHBondContact O-CA 3.44Å; R278-T320 HydrophobicContact CB-CG2 4.26Å; R278-T320 HydrophobicContact CG-CG2 3.67Å; I304-T320 HydrophobicContact CG2-CG2 4.3Å; T320-G322 PolarHBondContact O-N 2.99Å; T320-V323 WeakPolarHBondContact O-CA 3.33Å; T320-V323 PolarHBondContact O-N 2.89Å; T320-V323 PolarHBondContact OG1-N 3.02Å; T320-L324 PolarHBondContact O-N 3.37Å
321	H	79	Confident	79.8	Confident	11 Å²	11	19.4 Å²	19.4	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-49.8	-41.5	170.5	-53.4	-51.6	0	0	0	110.7	S274 Q275 P276 V323 L324 L325 D344 L393	S274-H321 WeakPolarHBondContact CB-ND1 3.3Å; S274-H321 PolarHBondContact OG-ND1 3Å; Q275-H321 VanDerWaalsContact C-NE2 3.3Å; Q275-H321 PolarHBondContact O-CD2 2.78Å; Q275-H321 PolarHBondContact O-N 3.05Å; P276-H321 VanDerWaalsContact CA-CD2 3.49Å; P276-H321 WeakPolarHBondContact CA-CD2 3.19Å; P276-H321 WeakPolarHBondContact CD-NE2 3.45Å; P276-H321 VanDerWaalsContact N-NE2 3.17Å; H321-V323 PolarHBondContact O-N 3.47Å; H321-L324 PolarHBondContact O-N 3.15Å; H321-L325 WeakPolarHBondContact O-CG 3Å; H321-L325 PolarHBondContact O-N 3.32Å; H321-D344 PolarHBondContact CE1-O 2.64Å; H321-L393 HydrophobicContact CB-CD2 4.02Å
322	G	70.6	Confident	79	Confident	6 Å²	6	19.3 Å²	19.3	6%	0.062	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-38.3	174.3	0	0	0	0	0	114.6	T320 R326 A383	T320-G322 PolarHBondContact O-N 2.99Å; G322-R326 WeakPolarHBondContact O-CB 3.06Å; G322-R326 WeakPolarHBondContact O-CD 3.21Å; G322-R326 WeakPolarHBondContact O-CG 3.09Å; G322-R326 PolarHBondContact O-N 2.71Å; G322-R326 VanDerWaalsContact O-N 3.09Å; G322-R326 PolarHBondContact O-NE 3.21Å; G322-A383 VanDerWaalsContact CA-CB 3.43Å
323	V	76.8	Confident	78.7	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-37.5	174	162	0	0	0	0	112	L192 Q303 C319 T320 H321 T327	L192-V323 HydrophobicContact CD2-CG1 4.29Å; L192-V323 HydrophobicContact CG-CG1 4.04Å; Q303-V323 HydrophobicContact CB-CG1 4.27Å; Q303-V323 HydrophobicContact CG-CG1 3.74Å; C319-V323 HydrophobicContact CB-CB 4Å; C319-V323 HydrophobicContact CB-CG1 3.67Å; T320-V323 WeakPolarHBondContact O-CA 3.33Å; T320-V323 PolarHBondContact O-N 2.89Å; T320-V323 PolarHBondContact OG1-N 3.02Å; H321-V323 PolarHBondContact O-N 3.47Å; V323-T327 WeakPolarHBondContact O-CB 2.99Å; V323-T327 PolarHBondContact O-N 3.3Å; V323-T327 VanDerWaalsContact O-N 3.12Å; V323-T327 PolarHBondContact O-OG1 3.29Å
324	L	83.8	Confident	78.2	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-52	174.7	176.1	53	0	0	0	111	L192 I272 T320 H321 R326 T327 I328 M335 I341 L393	L192-L324 HydrophobicContact CD1-CD1 4.29Å; I272-L324 HydrophobicContact CD1-CD1 4.33Å; I272-L324 HydrophobicContact CG2-CD1 4.2Å; I272-L324 HydrophobicContact CG2-CD2 4.5Å; T320-L324 PolarHBondContact O-N 3.37Å; H321-L324 PolarHBondContact O-N 3.15Å; L324-R326 PolarHBondContact O-N 2.71Å; L324-T327 WeakPolarHBondContact O-CA 3.19Å; L324-T327 WeakPolarHBondContact O-CB 3.11Å; L324-T327 PolarHBondContact O-N 3.08Å; L324-I328 HydrophobicContact CD1-CD1 3.7Å; L324-I328 HydrophobicContact CD1-CG1 4.08Å; L324-I328 HydrophobicContact CG-CD1 3.78Å; L324-I328 WeakPolarHBondContact O-CG1 3.49Å; L324-I328 PolarHBondContact O-N 2.91Å; L324-M335 HydrophobicContact CD1-CE 4.3Å; L324-I341 HydrophobicContact CD2-CG2 3.92Å; L324-L393 HydrophobicContact CD2-CD1 4.04Å; L324-L393 HydrophobicContact CD2-CD2 4.19Å; L324-L393 HydrophobicContact CG-CD1 4.18Å
325	L	72.1	Confident	77.9	Confident	6 Å²	6	15.1 Å²	15.1	3%	0.031	8%	0.077	C	C	.	.	H	α-helix	trans	-50	-57.4	175.2	-76.8	171.4	0	0	0	111.5	H321 T327 I328 C329 I392 L393 I396 L1087	H321-L325 WeakPolarHBondContact O-CG 3Å; H321-L325 PolarHBondContact O-N 3.32Å; L325-T327 PolarHBondContact O-N 3.32Å; L325-T327 VanDerWaalsContact O-N 3.11Å; L325-I328 PolarHBondContact O-N 3.13Å; L325-C329 WeakPolarHBondContact O-CB 3.28Å; L325-C329 PolarHBondContact O-N 3.31Å; L325-C329 PolarHBondContact O-SG 3.31Å; L325-I392 HydrophobicContact CD2-CG2 4.1Å; L325-L393 HydrophobicContact CD2-CB 3.9Å; L325-L393 HydrophobicContact CD2-CD1 3.94Å; L325-L393 HydrophobicContact CG-CB 4.26Å; L325-L393 HydrophobicContact CG-CD1 4.31Å; L325-I396 HydrophobicContact CD2-CD1 3.68Å; L325-L1087 HydrophobicContact CD2-CD1 4.35Å
326	R	65.2	Low	77.5	Confident	7 Å²	7	17.6 Å²	17.6	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-54.5	-34	178	-66.1	162	-147.2	178.1	6.3	113.3	G322 L324 A330 W381 A383 D384	G322-R326 WeakPolarHBondContact O-CB 3.06Å; G322-R326 WeakPolarHBondContact O-CD 3.21Å; G322-R326 WeakPolarHBondContact O-CG 3.09Å; G322-R326 PolarHBondContact O-N 2.71Å; G322-R326 VanDerWaalsContact O-N 3.09Å; G322-R326 PolarHBondContact O-NE 3.21Å; L324-R326 PolarHBondContact O-N 2.71Å; R326-A330 WeakPolarHBondContact O-CB 3.31Å; R326-A330 PolarHBondContact O-N 3.08Å; R326-W381 WeakPolarHBondContact CD-O 3.45Å; R326-W381 HydrophobicContact CG-CB 4.21Å; R326-W381 VanDerWaalsContact CG-O 3.31Å; R326-W381 WeakPolarHBondContact CG-O 3.25Å; R326-A383 PolarHBondContact NH2-O 3.11Å; R326-D384 IonicContact CZ-OD1 2.76Å; R326-D384 IonicContact NH1-OD1 2.76Å; R326-D384 IonicContact NH2-OD1 3.19Å; R326-D384 PolarHBondContact NH2-OD1 3.25Å
327	T	74.2	Confident	77	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-46.1	178.7	-58.3	0	0	0	0	110.3	L192 V323 L324 L325 C329 A330 D331 I334 M335	L192-T327 HydrophobicContact CB-CG2 3.89Å; L192-T327 HydrophobicContact CD1-CG2 4.12Å; L192-T327 HydrophobicContact CG-CG2 4.36Å; L192-T327 PolarHBondContact N-OG1 2.98Å; V323-T327 WeakPolarHBondContact O-CB 2.99Å; V323-T327 PolarHBondContact O-N 3.3Å; V323-T327 VanDerWaalsContact O-N 3.12Å; V323-T327 PolarHBondContact O-OG1 3.29Å; L324-T327 WeakPolarHBondContact O-CA 3.19Å; L324-T327 WeakPolarHBondContact O-CB 3.11Å; L324-T327 PolarHBondContact O-N 3.08Å; L325-T327 PolarHBondContact O-N 3.32Å; L325-T327 VanDerWaalsContact O-N 3.11Å; T327-C329 VanDerWaalsContact C-N 3.33Å; T327-C329 PolarHBondContact O-N 3.31Å; T327-A330 PolarHBondContact O-N 3.43Å; T327-D331 CarbonylContact O-C 3.55Å; T327-D331 PolarHBondContact O-N 2.81Å; T327-I334 HydrophobicContact CG2-CB 4.13Å; T327-I334 HydrophobicContact CG2-CD1 3.61Å; T327-I334 HydrophobicContact CG2-CG1 4.46Å; T327-I334 HydrophobicContact CG2-CG2 3.86Å; T327-M335 HydrophobicContact CG2-CE 4.31Å
328	I	74.3	Confident	76.9	Confident	5 Å²	5	18.2 Å²	18.2	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-43.7	176.2	-64.9	155.6	0	0	0	110.7	L324 L325 P332 M335 L393 L400	L324-I328 HydrophobicContact CD1-CD1 3.7Å; L324-I328 HydrophobicContact CD1-CG1 4.08Å; L324-I328 HydrophobicContact CG-CD1 3.78Å; L324-I328 WeakPolarHBondContact O-CG1 3.49Å; L324-I328 PolarHBondContact O-N 2.91Å; L325-I328 PolarHBondContact O-N 3.13Å; I328-P332 WeakPolarHBondContact O-CA 3.47Å; I328-P332 WeakPolarHBondContact O-CD 3.28Å; I328-M335 HydrophobicContact CG1-CE 4.08Å; I328-M335 HydrophobicContact CG1-CG 4.22Å; I328-M335 HydrophobicContact CG1-SD 3.89Å; I328-L393 HydrophobicContact CD1-CD1 4.19Å; I328-L400 HydrophobicContact CD1-CD1 3.9Å; I328-L400 HydrophobicContact CG1-CD1 4.35Å; I328-L400 HydrophobicContact CG2-CD1 4.41Å; I328-L400 HydrophobicContact CG2-CD2 4.1Å
329	C	63	Low	76.8	Confident	27 Å²	27	19.5 Å²	19.5	18%	0.182	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-46.7	176.5	-64.6	0	0	0	0	113.8	L325 T327 W381 L1087	L325-C329 WeakPolarHBondContact O-CB 3.28Å; L325-C329 PolarHBondContact O-N 3.31Å; L325-C329 PolarHBondContact O-SG 3.31Å; T327-C329 VanDerWaalsContact C-N 3.33Å; T327-C329 PolarHBondContact O-N 3.31Å; C329-W381 HydrophobicContact CB-CD2 3.69Å; C329-W381 HydrophobicContact CB-CE3 3.18Å; C329-W381 HydrophobicContact CB-CG 4.46Å; C329-W381 HydrophobicContact CB-CH2 3.98Å; C329-W381 HydrophobicContact CB-CZ2 4.47Å; C329-W381 HydrophobicContact CB-CZ3 3.31Å; C329-W381 WeakPolarHBondContact SG-CZ3 3.24Å; C329-L1087 WeakPolarHBondContact SG-CD2 3.39Å
330	A	58.5	Low	77	Confident	15 Å²	15	20.3 Å²	20.3	12%	0.124	12%	0.117	C	C	.	.	H	α-helix	trans	-73.6	-43.1	-173.4	0	0	0	0	0	112.5	R326 T327 D378 K379	R326-A330 WeakPolarHBondContact O-CB 3.31Å; R326-A330 PolarHBondContact O-N 3.08Å; T327-A330 PolarHBondContact O-N 3.43Å; A330-D378 WeakPolarHBondContact CB-O 3.23Å; A330-K379 VanDerWaalsContact CA-O 3.23Å; A330-K379 WeakPolarHBondContact CA-O 3.28Å; A330-K379 WeakPolarHBondContact CB-O 3.27Å
331	D	66.4	Low	77.5	Confident	24 Å²	24	20.3 Å²	20.3	13%	0.128	12%	0.117	C	C	.	.			trans	-153.6	93.1	176.9	-171.7	-3.5	0	0	0	111	T327 R333 I334	T327-D331 CarbonylContact O-C 3.55Å; T327-D331 PolarHBondContact O-N 2.81Å; D331-R333 PolarHBondContact O-N 3.4Å; D331-R333 VanDerWaalsContact O-N 3.12Å; D331-R333 WeakPolarHBondContact OD1-CB 3.22Å; D331-R333 VanDerWaalsContact OD1-CG 3.23Å; D331-R333 WeakPolarHBondContact OD1-CG 3.14Å; D331-R333 IonicContact OD1-CZ 3.74Å; D331-R333 PolarHBondContact OD1-N 3.27Å; D331-R333 IonicContact OD1-NE 2.87Å; D331-R333 PolarHBondContact OD1-NE 2.67Å; D331-R333 IonicContact OD1-NH2 3.7Å; D331-R333 IonicContact OD2-CZ 3.77Å; D331-R333 IonicContact OD2-NE 3.98Å; D331-R333 PolarHBondContact OD2-NE 3.49Å; D331-R333 IonicContact OD2-NH2 3.03Å; D331-R333 PolarHBondContact OD2-NH2 3.28Å; D331-I334 HydrophobicContact CB-CD1 3.86Å; D331-I334 HydrophobicContact CB-CG1 4.01Å; D331-I334 WeakPolarHBondContact O-CB 3.34Å; D331-I334 WeakPolarHBondContact O-CG1 3.48Å; D331-I334 PolarHBondContact O-N 2.92Å; D331-I334 VanDerWaalsContact O-N 3.08Å
332	P	69.8	Low	78.2	Confident	33 Å²	33	19.8 Å²	19.8	21%	0.214	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-63.6	-18.8	178.3	25.5	-33.2	0	0	0	112.5	I328 I334 M335 M369 Y404	I328-P332 WeakPolarHBondContact O-CA 3.47Å; I328-P332 WeakPolarHBondContact O-CD 3.28Å; P332-I334 PolarHBondContact O-N 3.45Å; P332-I334 VanDerWaalsContact O-N 3.1Å; P332-M335 VanDerWaalsContact O-CB 3.25Å; P332-M335 WeakPolarHBondContact O-CB 3.45Å; P332-M335 WeakPolarHBondContact O-CG 3.32Å; P332-M335 PolarHBondContact O-N 3.49Å; P332-M369 HydrophobicContact CB-CE 3.69Å; P332-M369 HydrophobicContact CB-SD 4.43Å; P332-M369 HydrophobicContact CG-CE 4.12Å; P332-M369 HydrophobicContact CG-SD 4.41Å; P332-Y404 PolarHBondContact O-OH 3.21Å
333	R	74.2	Confident	79.2	Confident	143 Å²	143	19.5 Å²	19.5	54%	0.54	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-62.8	-19.2	175.6	-49.6	168.6	-63.2	179.5	7	112	D331 M335 A336	D331-R333 PolarHBondContact O-N 3.4Å; D331-R333 VanDerWaalsContact O-N 3.12Å; D331-R333 WeakPolarHBondContact OD1-CB 3.22Å; D331-R333 VanDerWaalsContact OD1-CG 3.23Å; D331-R333 WeakPolarHBondContact OD1-CG 3.14Å; D331-R333 IonicContact OD1-CZ 3.74Å; D331-R333 PolarHBondContact OD1-N 3.27Å; D331-R333 IonicContact OD1-NE 2.87Å; D331-R333 PolarHBondContact OD1-NE 2.67Å; D331-R333 IonicContact OD1-NH2 3.7Å; D331-R333 IonicContact OD2-CZ 3.77Å; D331-R333 IonicContact OD2-NE 3.98Å; D331-R333 PolarHBondContact OD2-NE 3.49Å; D331-R333 IonicContact OD2-NH2 3.03Å; D331-R333 PolarHBondContact OD2-NH2 3.28Å; R333-M335 PolarHBondContact O-N 2.93Å; R333-A336 VanDerWaalsContact O-CB 3.29Å; R333-A336 WeakPolarHBondContact O-CB 3.37Å; R333-A336 PolarHBondContact O-N 3.47Å
334	I	76.3	Confident	79.7	Confident	25 Å²	25	19.5 Å²	19.5	13%	0.128	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-61.6	-26.5	171.3	-61.8	173.6	0	0	0	111.2	R270 T327 D331 P332 T338	R270-I334 PolarHBondContact NH1-O 2.89Å; T327-I334 HydrophobicContact CG2-CB 4.13Å; T327-I334 HydrophobicContact CG2-CD1 3.61Å; T327-I334 HydrophobicContact CG2-CG1 4.46Å; T327-I334 HydrophobicContact CG2-CG2 3.86Å; D331-I334 HydrophobicContact CB-CD1 3.86Å; D331-I334 HydrophobicContact CB-CG1 4.01Å; D331-I334 WeakPolarHBondContact O-CB 3.34Å; D331-I334 WeakPolarHBondContact O-CG1 3.48Å; D331-I334 PolarHBondContact O-N 2.92Å; D331-I334 VanDerWaalsContact O-N 3.08Å; P332-I334 PolarHBondContact O-N 3.45Å; P332-I334 VanDerWaalsContact O-N 3.1Å; I334-T338 PolarHBondContact O-OG1 2.98Å; I334-T338 VanDerWaalsContact O-OG1 3.13Å
335	M	83.8	Confident	79.4	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-72.8	-26.5	174.6	-58.1	-61.1	104.1	0	0	112.6	I272 L324 T327 I328 P332 R333 G337 T338 I341 L400 Y404	I272-M335 HydrophobicContact CD1-CE 3.97Å; L324-M335 HydrophobicContact CD1-CE 4.3Å; T327-M335 HydrophobicContact CG2-CE 4.31Å; I328-M335 HydrophobicContact CG1-CE 4.08Å; I328-M335 HydrophobicContact CG1-CG 4.22Å; I328-M335 HydrophobicContact CG1-SD 3.89Å; P332-M335 VanDerWaalsContact O-CB 3.25Å; P332-M335 WeakPolarHBondContact O-CB 3.45Å; P332-M335 WeakPolarHBondContact O-CG 3.32Å; P332-M335 PolarHBondContact O-N 3.49Å; R333-M335 PolarHBondContact O-N 2.93Å; M335-G337 PolarHBondContact O-N 3.45Å; M335-G337 VanDerWaalsContact O-N 3.11Å; M335-T338 WeakPolarHBondContact O-CB 3.38Å; M335-T338 PolarHBondContact O-N 3.09Å; M335-I341 HydrophobicContact SD-CD1 3.88Å; M335-L400 HydrophobicContact CG-CD2 4.09Å; M335-Y404 HydrophobicContact CB-CD2 3.76Å; M335-Y404 HydrophobicContact CB-CE2 3.62Å; M335-Y404 HydrophobicContact CB-CG 4.47Å; M335-Y404 HydrophobicContact CG-CE2 4.45Å
336	A	83.5	Confident	79.5	Confident	55 Å²	55	20 Å²	20	46%	0.455	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-65.4	-14.4	178.1	0	0	0	0	0	114.2	R333 Y404	R333-A336 VanDerWaalsContact O-CB 3.29Å; R333-A336 WeakPolarHBondContact O-CB 3.37Å; R333-A336 PolarHBondContact O-N 3.47Å; A336-Y404 HydrophobicContact CB-CD1 4.19Å; A336-Y404 HydrophobicContact CB-CE1 3.64Å
337	G	84	Confident	79.5	Confident	21 Å²	21	21.2 Å²	21.2	22%	0.216	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-105.6	4.6	170.2	0	0	0	0	0	114	P197 R270 M335	P197-G337 WeakPolarHBondContact CD-O 3.39Å; R270-G337 WeakPolarHBondContact CB-O 3.39Å; R270-G337 VanDerWaalsContact CD-O 3.32Å; R270-G337 WeakPolarHBondContact CD-O 3.4Å; M335-G337 PolarHBondContact O-N 3.45Å; M335-G337 VanDerWaalsContact O-N 3.11Å
338	T	90.7	Very high	78.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.			trans	-99.9	123.6	-176.9	-62.8	0	0	0	0	109.8	R270 I272 I334 M335 I341 L407	R270-T338 PolarHBondContact NH1-OG1 3.49Å; R270-T338 VanDerWaalsContact NH1-OG1 3.07Å; I272-T338 HydrophobicContact CD1-CG2 3.73Å; I272-T338 HydrophobicContact CG1-CG2 4.16Å; I334-T338 PolarHBondContact O-OG1 2.98Å; I334-T338 VanDerWaalsContact O-OG1 3.13Å; M335-T338 WeakPolarHBondContact O-CB 3.38Å; M335-T338 PolarHBondContact O-N 3.09Å; T338-I341 HydrophobicContact CG2-CG1 3.97Å; T338-L407 HydrophobicContact CG2-CD1 3.92Å; T338-L407 WeakPolarHBondContact O-CD1 3.5Å
339	T	92.6	Very high	77.5	Confident	27 Å²	27	21.5 Å²	21.5	17%	0.166	12%	0.121	C	C	.	.			trans	-88.4	-36.1	180	59.8	0	0	0	0	112.8	P197 R270 K408	P197-T339 HydrophobicContact CB-CG2 4.43Å; R270-T339 PolarHBondContact N-OG1 2.86Å; R270-T339 PolarHBondContact O-N 2.87Å; R270-T339 PolarHBondContact O-OG1 2.98Å; T339-K408 PolarHBondContact O-N 3.49Å
340	H	94.8	Very high	77.1	Confident	16 Å²	16	21 Å²	21	7%	0.074	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.8	-173.9	-63.6	81.7	0	0	0	110.8	R270 I271 I272 K408	R270-H340 PolarHBondContact O-N 3.23Å; R270-H340 VanDerWaalsContact O-N 3.17Å; I271-H340 WeakPolarHBondContact CA-O 3.25Å; I271-H340 HydrophobicContact CB-CB 4.33Å; I271-H340 HydrophobicContact CG1-CB 4.09Å; I271-H340 HydrophobicContact CG2-CB 3.98Å; I272-H340 PolarHBondContact N-O 2.56Å; H340-K408 CarbonylContact C-O 3.48Å; H340-K408 VanDerWaalsContact CA-O 3.28Å; H340-K408 WeakPolarHBondContact CA-O 3.43Å
341	I	93.9	Very high	76.9	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.8	164.8	-67.7	171.4	0	0	0	108.3	I272 L324 M335 T338 V343 L407 K408 V409 I410	I272-I341 CarbonylContact O-C 3.58Å; I272-I341 WeakPolarHBondContact O-CA 3.44Å; L324-I341 HydrophobicContact CD2-CG2 3.92Å; M335-I341 HydrophobicContact SD-CD1 3.88Å; T338-I341 HydrophobicContact CG2-CG1 3.97Å; I341-V343 HydrophobicContact CG2-CG2 4.13Å; I341-L407 HydrophobicContact CD1-CD1 4.12Å; I341-L407 HydrophobicContact CD1-CD2 4.07Å; I341-L407 HydrophobicContact CG1-CD1 4.1Å; I341-K408 PolarHBondContact N-O 3.08Å; I341-V409 HydrophobicContact CB-CG2 4.48Å; I341-V409 WeakPolarHBondContact O-CA 3.47Å; I341-I410 PolarHBondContact O-N 2.84Å
342	I	94.5	Very high	76.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	171.9	-55.2	174.9	0	0	0	107	P255 L258 I271 I272 C273 S274 D344 I410 I412	P255-I342 HydrophobicContact CB-CD1 4.16Å; P255-I342 HydrophobicContact CG-CD1 3.87Å; L258-I342 HydrophobicContact CD1-CD1 4.01Å; I271-I342 HydrophobicContact CG2-CD1 3.89Å; I271-I342 HydrophobicContact CG2-CG1 4.24Å; I272-I342 PolarHBondContact O-N 3.4Å; C273-I342 WeakPolarHBondContact CA-O 3.26Å; C273-I342 HydrophobicContact CB-CB 4.2Å; S274-I342 PolarHBondContact N-O 3.45Å; S274-I342 PolarHBondContact OG-O 2.93Å; I342-D344 HydrophobicContact CG2-CB 4.47Å; I342-I410 WeakPolarHBondContact CA-O 3.46Å; I342-I410 HydrophobicContact CG1-CB 4.45Å; I342-I410 HydrophobicContact CG1-CD1 4.23Å; I342-I412 HydrophobicContact CG2-CD1 3.53Å; I342-I412 HydrophobicContact CG2-CG1 4Å
343	V	90.7	Very high	75.2	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.5	168.1	-171.1	0	0	0	0	106.5	I341 I346 L393 I397 I410 L411 I412	I341-V343 HydrophobicContact CG2-CG2 4.13Å; V343-I346 HydrophobicContact CB-CD1 4.16Å; V343-I346 HydrophobicContact CG1-CD1 3.91Å; V343-I346 HydrophobicContact CG1-CG1 4.01Å; V343-L393 HydrophobicContact CG1-CD2 4.27Å; V343-L393 HydrophobicContact CG2-CD2 4.23Å; V343-I397 HydrophobicContact CG2-CD1 4.17Å; V343-I410 PolarHBondContact N-O 2.91Å; V343-L411 HydrophobicContact CB-CD2 3.93Å; V343-L411 HydrophobicContact CG2-CD2 4.01Å; V343-I412 PolarHBondContact O-N 2.96Å
344	D	87.9	Confident	73.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	161.6	-172.2	-169.2	22.1	0	0	0	111.7	T251 S274 Q275 H321 I342 I346 I412	T251-D344 WeakPolarHBondContact CB-OD2 3.46Å; T251-D344 WeakPolarHBondContact CG2-OD2 3.43Å; T251-D344 PolarHBondContact OG1-OD1 3.16Å; T251-D344 PolarHBondContact OG1-OD2 3.23Å; S274-D344 PolarHBondContact O-N 3.01Å; S274-D344 VanDerWaalsContact O-N 3.15Å; Q275-D344 PolarHBondContact NE2-OD2 2.95Å; H321-D344 PolarHBondContact CE1-O 2.64Å; I342-D344 HydrophobicContact CG2-CB 4.47Å; D344-I346 VanDerWaalsContact C-N 3.31Å; D344-I346 PolarHBondContact O-N 2.84Å; D344-I412 HydrophobicContact CB-CB 4.44Å; D344-I412 HydrophobicContact CB-CD1 4.16Å; D344-I412 WeakPolarHBondContact OD1-CB 3.35Å; D344-I412 WeakPolarHBondContact OD1-CG2 3.32Å
345	E	76.4	Confident	72.3	Confident	12 Å²	12	27 Å²	27	6%	0.056	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.4	29.2	-174.8	-57.6	-74.7	156.6	0	0	114.8	P276 Y280 E347 N414 S997 S998	P276-E345 HydrophobicContact CG-CB 3.8Å; P276-E345 HydrophobicContact CG-CG 4.33Å; Y280-E345 HydrophobicContact CD2-CG 4.26Å; Y280-E345 HydrophobicContact CE2-CG 4.39Å; E345-E347 PolarHBondContact O-N 2.78Å; E345-N414 PolarHBondContact OE1-ND2 2.96Å; E345-N414 PolarHBondContact OE2-ND2 3.23Å; E345-S997 WeakPolarHBondContact OE2-CB 3.47Å; E345-S998 WeakPolarHBondContact OE1-CA 3.45Å; E345-S998 WeakPolarHBondContact OE1-CB 3.3Å; E345-S998 PolarHBondContact OE1-N 2.94Å; E345-S998 PolarHBondContact OE1-OG 3.03Å; E345-S998 PolarHBondContact OE2-N 3.38Å
346	I	75.5	Confident	70.3	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128	170.6	-60.6	169	0	0	0	108.9	V343 D344 L394 L411 I412 I413 N414 F530	V343-I346 HydrophobicContact CB-CD1 4.16Å; V343-I346 HydrophobicContact CG1-CD1 3.91Å; V343-I346 HydrophobicContact CG1-CG1 4.01Å; D344-I346 VanDerWaalsContact C-N 3.31Å; D344-I346 PolarHBondContact O-N 2.84Å; I346-L394 HydrophobicContact CD1-CD2 4.25Å; I346-L411 HydrophobicContact CD1-CB 3.91Å; I346-L411 HydrophobicContact CD1-CD2 4.1Å; I346-I412 WeakPolarHBondContact CB-O 3.41Å; I346-I412 PolarHBondContact N-O 3.23Å; I346-I413 HydrophobicContact CB-CG1 4.17Å; I346-I413 HydrophobicContact CG2-CG1 4.01Å; I346-N414 PolarHBondContact O-N 2.83Å; I346-F530 HydrophobicContact CD1-CE1 4.43Å; I346-F530 HydrophobicContact CG2-CE1 4.29Å; I346-F530 HydrophobicContact CG2-CZ 4.01Å
347	E	64.7	Low	68.1	Low	34 Å²	34	41 Å²	41	16%	0.159	21%	0.211	C	C	.	.			trans	-94.1	146.1	-178.4	-54.9	-159.6	140.7	0	0	112.6	E345 D349 E350 R416 R1068	E345-E347 PolarHBondContact O-N 2.78Å; E347-D349 PolarHBondContact O-N 2.98Å; E347-E350 HydrophobicContact CB-CG 4.25Å; E347-E350 PolarHBondContact N-OE1 2.85Å; E347-E350 VanDerWaalsContact O-CB 3.32Å; E347-E350 WeakPolarHBondContact O-CB 3.48Å; E347-E350 WeakPolarHBondContact O-CG 3.24Å; E347-E350 PolarHBondContact O-N 2.98Å; E347-E350 VanDerWaalsContact O-N 3.09Å; E347-R416 IonicContact OE1-CZ 3.54Å; E347-R416 IonicContact OE1-NH1 2.72Å; E347-R416 PolarHBondContact OE1-NH1 3.4Å; E347-R416 IonicContact OE1-NH2 3.7Å; E347-R416 PolarHBondContact OE1-NH2 3.2Å; E347-R416 IonicContact OE2-CZ 2.9Å; E347-R416 IonicContact OE2-NH1 3.88Å; E347-R416 PolarHBondContact OE2-NH1 3.21Å; E347-R416 IonicContact OE2-NH2 3.84Å; E347-R416 PolarHBondContact OE2-NH2 2.79Å; E347-R1068 IonicContact OE1-NH2 3.81Å; E347-R1068 PolarHBondContact OE1-NH2 3.2Å; E347-R1068 IonicContact OE2-CZ 3.67Å; E347-R1068 IonicContact OE2-NH1 2.74Å; E347-R1068 PolarHBondContact OE2-NH1 3.01Å; E347-R1068 IonicContact OE2-NH2 3.76Å; E347-R1068 PolarHBondContact OE2-NH2 3.36Å
348	D	55.2	Low	66	Low	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61	-33.4	-178.1	-68.3	-36.9	0	0	0	112	E350 I351 I413 S415 R416 Y524	D348-E350 PolarHBondContact O-N 3.22Å; D348-E350 VanDerWaalsContact O-N 3.13Å; D348-I351 HydrophobicContact CB-CD1 4.44Å; D348-I351 WeakPolarHBondContact O-CB 3.47Å; D348-I351 WeakPolarHBondContact O-CG1 3.42Å; D348-I351 PolarHBondContact O-N 3.39Å; D348-I413 VanDerWaalsContact OD1-CG2 3.31Å; D348-I413 WeakPolarHBondContact OD1-CG2 3.39Å; D348-S415 PolarHBondContact OD1-OG 3.43Å; D348-S415 WeakPolarHBondContact OD2-CA 3.38Å; D348-R416 HydrophobicContact CB-CG 4.43Å; D348-R416 WeakPolarHBondContact OD2-CG 3.39Å; D348-R416 PolarHBondContact OD2-N 2.84Å; D348-Y524 HydrophobicContact CB-CE1 4.46Å
349	D	52	Low	63.3	Low	11 Å²	11	53.7 Å²	53.7	6%	0.059	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-71.4	0.9	177.3	45.1	-59.4	0	0	0	114.6	E347 R416 E1067 R1068 K1103	E347-D349 PolarHBondContact O-N 2.98Å; D349-R416 IonicContact OD1-CZ 2.68Å; D349-R416 IonicContact OD1-NH1 2.72Å; D349-R416 PolarHBondContact OD1-NH1 2.86Å; D349-R416 IonicContact OD2-NH1 3.32Å; D349-E1067 HydrophobicContact CB-CB 4.49Å; D349-R1068 HydrophobicContact CB-CB 4.45Å; D349-R1068 IonicContact OD1-NH1 3.19Å; D349-R1068 WeakPolarHBondContact OD2-CB 3.5Å; D349-R1068 IonicContact OD2-CZ 2.81Å; D349-R1068 IonicContact OD2-NH1 3.35Å; D349-R1068 PolarHBondContact OD2-NH1 2.84Å; D349-K1103 PolarHBondContact O-NZ 2.73Å
350	E	54.3	Low	60.7	Low	16 Å²	16	56.3 Å²	56.3	8%	0.075	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-81.5	-16.2	166.5	-58.4	175.3	-153.6	0	0	112.5	E347 D348 Y390 K1103	E347-E350 HydrophobicContact CB-CG 4.25Å; E347-E350 PolarHBondContact N-OE1 2.85Å; E347-E350 VanDerWaalsContact O-CB 3.32Å; E347-E350 WeakPolarHBondContact O-CB 3.48Å; E347-E350 WeakPolarHBondContact O-CG 3.24Å; E347-E350 PolarHBondContact O-N 2.98Å; E347-E350 VanDerWaalsContact O-N 3.09Å; D348-E350 PolarHBondContact O-N 3.22Å; D348-E350 VanDerWaalsContact O-N 3.13Å; E350-Y390 HydrophobicContact CB-CE2 3.94Å; E350-Y390 VanDerWaalsContact CD-CD2 3.43Å; E350-Y390 HydrophobicContact CG-CD2 4.06Å; E350-Y390 HydrophobicContact CG-CE2 3.42Å; E350-Y390 VanDerWaalsContact CG-CE2 3.42Å; E350-Y390 WeakPolarHBondContact OE2-CD2 3.46Å; E350-Y390 VanDerWaalsContact OE2-CE2 3.26Å; E350-Y390 WeakPolarHBondContact OE2-CE2 3.18Å; E350-K1103 WeakPolarHBondContact O-CE 3.4Å
351	I	53.8	Low	57.8	Low	6 Å²	6	62.6 Å²	62.6	3%	0.031	31%	0.309	C	S	.	.	S	Bend	trans	-81.1	129.7	-170.5	-59	173.4	0	0	0	111.8	D348 E353 P526 F530 K1103	D348-I351 HydrophobicContact CB-CD1 4.44Å; D348-I351 WeakPolarHBondContact O-CB 3.47Å; D348-I351 WeakPolarHBondContact O-CG1 3.42Å; D348-I351 PolarHBondContact O-N 3.39Å; I351-E353 PolarHBondContact O-N 3.47Å; I351-P526 HydrophobicContact CB-CB 4.16Å; I351-P526 HydrophobicContact CD1-CB 3.56Å; I351-P526 HydrophobicContact CG1-CB 4.44Å; I351-P526 HydrophobicContact CG2-CB 3.92Å; I351-P526 WeakPolarHBondContact CG2-O 3.45Å; I351-F530 HydrophobicContact CB-CD2 4.26Å; I351-F530 HydrophobicContact CG1-CD2 3.69Å; I351-F530 HydrophobicContact CG1-CE2 4.1Å; I351-F530 HydrophobicContact CG1-CG 4.34Å; I351-F530 HydrophobicContact CG2-CD2 4.26Å; I351-K1103 WeakPolarHBondContact O-CE 3.26Å; I351-K1103 PolarHBondContact O-NZ 2.98Å
352	P	52.1	Low	55.1	Low	20 Å²	20	70.1 Å²	70.1	13%	0.13	35%	0.349	C	S	.	.			trans	-69.9	124.9	176.5	26.4	-33.3	0	0	0	113.3	N354 P1102 K1103	P352-N354 PolarHBondContact O-N 3.03Å; P352-P1102 VanDerWaalsContact CB-O 3.26Å; P352-P1102 WeakPolarHBondContact CB-O 3.28Å; P352-P1102 VanDerWaalsContact CG-O 3.3Å; P352-P1102 WeakPolarHBondContact CG-O 3.27Å; P352-K1103 HydrophobicContact CB-CG 4.35Å
353	E	47.4	Very low	52	Low	161 Å²	161	74.9 Å²	74.9	75%	0.752	38%	0.379	S	S	*	.	S	Bend	trans	-64.7	-36.9	177.7	-63.5	169.4	-171.7	0	0	113.3	I351	I351-E353 PolarHBondContact O-N 3.47Å
354	N	47.9	Very low	49.3	Very low	130 Å²	130	78 Å²	78	70%	0.695	39%	0.394	S	S	*	.			trans	-119.4	66.3	-162.3	-77.6	-67	0	0	0	113.7	P352 H356	P352-N354 PolarHBondContact O-N 3.03Å; N354-H356 VanDerWaalsContact C-N 3.3Å; N354-H356 PolarHBondContact O-N 3.15Å
355	L	42.8	Very low	46.7	Very low	48 Å²	48	81.4 Å²	81.4	25%	0.251	42%	0.421	S	S	.	.			trans	-78.8	71.3	177.7	-158.9	86.4	0	0	0	112.8	K532	L355-K532 HydrophobicContact CD2-CB 3.33Å; L355-K532 HydrophobicContact CD2-CD 4.15Å; L355-K532 HydrophobicContact CD2-CG 4.34Å
356	H	40.9	Very low	44.6	Very low	180 Å²	180	88.6 Å²	88.6	83%	0.833	45%	0.452	S	S	*	.			trans	-124.7	2.2	179	-85.5	0.9	0	0	0	115.5	N354	N354-H356 VanDerWaalsContact C-N 3.3Å; N354-H356 PolarHBondContact O-N 3.15Å
357	L	38.5	Very low	42.7	Very low	169 Å²	169	91.1 Å²	91.1	89%	0.885	47%	0.466	S	S	*	.	S	Bend	trans	-118.9	-16.7	-175.3	-74.8	169	0	0	0	116.3	K359	L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 3.37Å
358	T	38.8	Very low	41.4	Very low	82 Å²	82	92.2 Å²	92.2	50%	0.503	47%	0.471	S	S	.	.			trans	-81.7	59.8	-174.9	33.3	0	0	0	0	114.6	L360	T358-L360 PolarHBondContact O-N 3.5Å
359	K	35.1	Very low	40.3	Very low	206 Å²	206	95 Å²	95	90%	0.896	49%	0.485	S	S	*	.			trans	-75.6	60.8	162.8	-82.1	-170.2	173.6	-179.3	0	111.6	L357	L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 3.37Å
360	L	37.4	Very low	39.1	Very low	83 Å²	83	99.7 Å²	99.7	44%	0.435	51%	0.514	S	S	.	.			trans	-119.8	22.3	-178.7	-87.9	167.2	0	0	0	114.3	T358 N362 E364	T358-L360 PolarHBondContact O-N 3.5Å; L360-N362 PolarHBondContact O-N 2.99Å; L360-E364 HydrophobicContact CD2-CG 4.3Å
361	Q	34.2	Very low	37.8	Very low	148 Å²	148	105.8 Å²	105.8	69%	0.692	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-0.2	-170.9	-74.7	-176.6	-52.9	0	0	117.3	N535	Q361-N535 PolarHBondContact NE2-OD1 3.33Å
362	N	36.5	Very low	36.5	Very low	162 Å²	162	111.7 Å²	111.7	87%	0.866	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	-9.3	-169.4	-83.1	-48.1	0	0	0	117.9	L360	L360-N362 PolarHBondContact O-N 2.99Å
363	T	30.5	Very low	35.2	Very low	101 Å²	101	115.7 Å²	115.7	62%	0.62	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	-25.8	-170.8	35.6	0	0	0	0	115.5
364	E	33.9	Very low	34.1	Very low	67 Å²	67	115.8 Å²	115.8	31%	0.313	62%	0.623	S	S	.	*	S	Bend	trans	-103.8	-8.6	-159.7	-58.6	-165.2	137.6	0	0	115.2	L360 K366 L367	L360-E364 HydrophobicContact CD2-CG 4.3Å; E364-K366 PolarHBondContact O-N 3.07Å; E364-L367 HydrophobicContact CB-CD1 3.83Å; E364-L367 HydrophobicContact CB-CG 4.44Å; E364-L367 HydrophobicContact CG-CD1 3.78Å; E364-L367 VanDerWaalsContact O-CB 3.3Å; E364-L367 WeakPolarHBondContact O-CB 3.08Å; E364-L367 PolarHBondContact O-N 3.21Å
365	A	33.2	Very low	33	Very low	70 Å²	70	111.9 Å²	111.9	58%	0.579	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-8.7	177.3	0	0	0	0	0	114.8	N402	A365-N402 PolarHBondContact O-ND2 3.01Å
366	K	33	Very low	32.1	Very low	163 Å²	163	114.7 Å²	114.7	71%	0.709	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-15.5	171.4	-83.3	-178.5	172.7	176.6	0	114.4	E364 M368	E364-K366 PolarHBondContact O-N 3.07Å; K366-M368 PolarHBondContact O-N 3.13Å
367	L	34.2	Very low	31.4	Very low	57 Å²	57	108.1 Å²	108.1	30%	0.298	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	7.7	-157.9	-73.3	-178.4	0	0	0	116.8	E364 P1089 I1092	E364-L367 HydrophobicContact CB-CD1 3.83Å; E364-L367 HydrophobicContact CB-CG 4.44Å; E364-L367 HydrophobicContact CG-CD1 3.78Å; E364-L367 VanDerWaalsContact O-CB 3.3Å; E364-L367 WeakPolarHBondContact O-CB 3.08Å; E364-L367 PolarHBondContact O-N 3.21Å; L367-P1089 WeakPolarHBondContact O-CD 3.23Å; L367-P1089 WeakPolarHBondContact O-CG 3.47Å; L367-I1092 HydrophobicContact CB-CD1 3.61Å; L367-I1092 HydrophobicContact CD1-CD1 4.31Å; L367-I1092 HydrophobicContact CD2-CD1 3.82Å; L367-I1092 HydrophobicContact CD2-CG1 4.4Å; L367-I1092 HydrophobicContact CG-CD1 4.1Å; L367-I1092 WeakPolarHBondContact O-CD1 3.34Å
368	M	37.8	Very low	30.8	Very low	56 Å²	56	101.3 Å²	101.3	28%	0.276	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135	-7.7	-175.8	-79.8	-177	174.3	0	0	117.6	K366 S399 V1097	K366-M368 PolarHBondContact O-N 3.13Å; M368-S399 WeakPolarHBondContact CB-OG 3.48Å; M368-V1097 HydrophobicContact CE-CG1 4.21Å
369	M	32.4	Very low	30.3	Very low	60 Å²	60	98 Å²	98	30%	0.296	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.2	4.8	-171	-82.5	-63.2	177.3	0	0	117.9	P332 T371 Q403	P332-M369 HydrophobicContact CB-CE 3.69Å; P332-M369 HydrophobicContact CB-SD 4.43Å; P332-M369 HydrophobicContact CG-CE 4.12Å; P332-M369 HydrophobicContact CG-SD 4.41Å; M369-T371 PolarHBondContact O-N 3.24Å; M369-Q403 PolarHBondContact SD-NE2 3.02Å; M369-Q403 VanDerWaalsContact SD-NE2 3.38Å; M369-Q403 PolarHBondContact SD-OE1 2.76Å; M369-Q403 VanDerWaalsContact SD-OE1 3.35Å
370	T	26.1	Very low	29.9	Very low	109 Å²	109	88.7 Å²	88.7	67%	0.669	51%	0.505	S	S	*	.			trans	-96	79.2	-173.1	57.6	0	0	0	0	115.4
371	T	27.9	Very low	29.5	Very low	144 Å²	144	86.5 Å²	86.5	88%	0.883	49%	0.491	S	S	*	.			trans	-162.5	122.4	139.4	13.1	0	0	0	0	110.7	M369	M369-T371 PolarHBondContact O-N 3.24Å
372	V	26.7	Very low	29.2	Very low	130 Å²	130	80.1 Å²	80.1	79%	0.788	46%	0.462	S	S	*	.			trans	-131.9	111.2	179	176.6	0	0	0	0	110.3
373	S	24.6	Very low	28.8	Very low	103 Å²	103	72.9 Å²	72.9	72%	0.72	43%	0.426	S	S	*	.			trans	-171.7	138.8	148.5	39.5	0	0	0	0	111.5
374	N	24.4	Very low	28.8	Very low	163 Å²	163	70.1 Å²	70.1	87%	0.872	41%	0.407	S	S	*	.	S	Bend	trans	66.9	134.8	163.4	-52.5	-12.1	0	0	0	119.5
375	G	23.9	Very low	28.9	Very low	49 Å²	49	69.1 Å²	69.1	51%	0.505	40%	0.404	S	S	.	.			trans	84.2	95.9	155	0	0	0	0	0	118.5	K182	K182-G375 PolarHBondContact NZ-O 3.41Å
376	D	25	Very low	29.1	Very low	106 Å²	106	67.5 Å²	67.5	57%	0.567	39%	0.387	S	S	*	.			trans	37.9	103.8	144.1	-72.5	-78.2	0	0	0	123.1	K182	K182-D376 WeakPolarHBondContact CD-O 3.36Å; K182-D376 WeakPolarHBondContact CE-O 3.35Å; K182-D376 WeakPolarHBondContact CG-O 3.4Å; K182-D376 PolarHBondContact NZ-O 3Å
377	T	25.5	Very low	29.5	Very low	42 Å²	42	63 Å²	63	26%	0.258	37%	0.371	S	S	.	.				50.7	128.3	122.2	43.2	0	0	0	0	122.5	K182 K186	K182-T377 VanDerWaalsContact CB-O 3.25Å; K182-T377 WeakPolarHBondContact CB-O 3.4Å; K182-T377 WeakPolarHBondContact CG-O 3.49Å; K186-T377 WeakPolarHBondContact CE-OG1 3.37Å; K186-T377 PolarHBondContact NZ-OG1 2.8Å
378	D	26.6	Very low	30.1	Very low	26 Å²	26	60.7 Å²	60.7	14%	0.139	36%	0.359	C	S	.	.			trans	175.6	-126.2	148.1	-59.5	45.6	0	0	0	122.1	K186 R191 A330	K186-D378 WeakPolarHBondContact CA-OD2 3.24Å; K186-D378 HydrophobicContact CB-CB 4.41Å; K186-D378 HydrophobicContact CG-CB 3.57Å; R191-D378 IonicContact CZ-OD2 2.13Å; R191-D378 PolarHBondContact NH1-O 3.17Å; R191-D378 IonicContact NH1-OD1 2.66Å; R191-D378 PolarHBondContact NH1-OD1 3.17Å; R191-D378 IonicContact NH1-OD2 4Å; R191-D378 PolarHBondContact NH1-OD2 3.05Å; R191-D378 PolarHBondContact NH2-O 3.46Å; R191-D378 IonicContact NH2-OD2 2.88Å; R191-D378 PolarHBondContact NH2-OD2 3.02Å; A330-D378 WeakPolarHBondContact CB-O 3.23Å
379	K	28	Very low	30.6	Very low	14 Å²	14	58.1 Å²	58.1	6%	0.061	35%	0.347	C	S	.	.			trans	-56.8	135.7	-137.3	-148.4	-173.9	-170.9	-93.3	0	117.7	Y185 A330 Y1134 D1138	Y185-K379 VanDerWaalsContact CB-N 3.34Å; Y185-K379 HydrophobicContact CD1-CB 3.43Å; Y185-K379 VanDerWaalsContact CD1-CB 3.43Å; Y185-K379 HydrophobicContact CD1-CG 4.17Å; Y185-K379 HydrophobicContact CD2-CB 3.63Å; Y185-K379 HydrophobicContact CD2-CD 3.75Å; Y185-K379 HydrophobicContact CD2-CG 3.38Å; Y185-K379 HydrophobicContact CE1-CB 3.61Å; Y185-K379 HydrophobicContact CE1-CD 4.49Å; Y185-K379 HydrophobicContact CE1-CG 4.28Å; Y185-K379 HydrophobicContact CE2-CB 3.86Å; Y185-K379 HydrophobicContact CE2-CD 3.38Å; Y185-K379 HydrophobicContact CE2-CG 3.57Å; Y185-K379 HydrophobicContact CG-CB 3.38Å; Y185-K379 HydrophobicContact CG-CD 4.44Å; Y185-K379 HydrophobicContact CG-CG 3.68Å; A330-K379 VanDerWaalsContact CA-O 3.23Å; A330-K379 WeakPolarHBondContact CA-O 3.28Å; A330-K379 WeakPolarHBondContact CB-O 3.27Å; K379-Y1134 HydrophobicContact CD-CD1 4.04Å; K379-Y1134 PolarHBondContact NZ-O 3.24Å; K379-D1138 IonicContact NZ-OD2 3.51Å; K379-D1138 PolarHBondContact NZ-OD2 2.97Å
380	S	25.7	Very low	31.9	Very low	9 Å²	9	56.6 Å²	56.6	6%	0.063	34%	0.339	C	S	.	.				65.1	55	57.9	121.8	0	0	0	0	118.1	T188 D1138	T188-S380 WeakPolarHBondContact CG2-OG 3.24Å; T188-S380 WeakPolarHBondContact OG1-CB 3.34Å; S380-D1138 VanDerWaalsContact O-OD2 3.04Å; S380-D1138 PolarHBondContact OG-OD2 3.35Å
381	W	30	Very low	33.7	Very low	38 Å²	38	51.9 Å²	51.9	14%	0.144	31%	0.312	C	S	.	.			trans	-103	-176	179.6	-60.6	-0.1	0	0	0	111.1	R305 R326 C329 L1086 L1087	R305-W381 PolarHBondContact NH1-O 3.27Å; R305-W381 VanDerWaalsContact NH1-O 3.11Å; R326-W381 WeakPolarHBondContact CD-O 3.45Å; R326-W381 HydrophobicContact CG-CB 4.21Å; R326-W381 VanDerWaalsContact CG-O 3.31Å; R326-W381 WeakPolarHBondContact CG-O 3.25Å; C329-W381 HydrophobicContact CB-CD2 3.69Å; C329-W381 HydrophobicContact CB-CE3 3.18Å; C329-W381 HydrophobicContact CB-CG 4.46Å; C329-W381 HydrophobicContact CB-CH2 3.98Å; C329-W381 HydrophobicContact CB-CZ2 4.47Å; C329-W381 HydrophobicContact CB-CZ3 3.31Å; C329-W381 WeakPolarHBondContact SG-CZ3 3.24Å; W381-L1086 HydrophobicContact CB-CD1 4.44Å; W381-L1086 HydrophobicContact CD2-CB 4.35Å; W381-L1086 HydrophobicContact CD2-CD1 4.08Å; W381-L1086 HydrophobicContact CD2-CD2 3.58Å; W381-L1086 HydrophobicContact CD2-CG 4.21Å; W381-L1086 HydrophobicContact CE3-CB 3.56Å; W381-L1086 HydrophobicContact CE3-CD1 3.82Å; W381-L1086 HydrophobicContact CE3-CD2 3.7Å; W381-L1086 HydrophobicContact CE3-CG 3.88Å; W381-L1086 HydrophobicContact CG-CD1 4.33Å; W381-L1086 HydrophobicContact CG-CD2 4.16Å; W381-L1086 HydrophobicContact CH2-CB 4.02Å; W381-L1086 HydrophobicContact CH2-CD2 4.04Å; W381-L1086 WeakPolarHBondContact CH2-O 3.15Å; W381-L1086 HydrophobicContact CZ2-CD2 3.83Å; W381-L1086 HydrophobicContact CZ3-CB 3.39Å; W381-L1086 HydrophobicContact CZ3-CD2 3.96Å; W381-L1086 HydrophobicContact CZ3-CG 4.13Å; W381-L1086 WeakPolarHBondContact CZ3-O 2.73Å; W381-L1087 HydrophobicContact CZ3-CG 4.44Å
382	C	26.5	Very low	35.5	Very low	13 Å²	13	45.4 Å²	45.4	9%	0.088	27%	0.271	C	S	.	.			trans	-132.3	167.8	176.7	-150.6	0	0	0	0	112.4	R305 C1137	R305-C382 PolarHBondContact NH1-SG 3.11Å; C382-C1137 WeakPolarHBondContact CB-O 3.31Å
383	A	28.7	Very low	37.7	Very low	11 Å²	11	39.4 Å²	39.4	9%	0.091	24%	0.235	C	C	.	.			trans	179.3	68.9	173.8	0	0	0	0	0	105.3	G322 R326 N385	G322-A383 VanDerWaalsContact CA-CB 3.43Å; R326-A383 PolarHBondContact NH2-O 3.11Å; A383-N385 VanDerWaalsContact C-N 3.33Å
384	D	30.6	Very low	40.1	Very low	42 Å²	42	34.6 Å²	34.6	23%	0.225	20%	0.201	C	C	.	.			trans	-100.8	25.4	179	-101.6	36.6	0	0	0	110.7	R278 R305 R326 P1140 Q1243	R278-D384 IonicContact NH1-OD2 3.05Å; R305-D384 VanDerWaalsContact CD-OD1 3.28Å; R305-D384 WeakPolarHBondContact CD-OD1 3.29Å; R305-D384 VanDerWaalsContact CD-OD2 3.31Å; R305-D384 WeakPolarHBondContact CD-OD2 3.01Å; R326-D384 IonicContact CZ-OD1 2.76Å; R326-D384 IonicContact NH1-OD1 2.76Å; R326-D384 IonicContact NH2-OD1 3.19Å; R326-D384 PolarHBondContact NH2-OD1 3.25Å; D384-P1140 HydrophobicContact CB-CB 3.86Å; D384-Q1243 PolarHBondContact OD2-NE2 2.93Å; D384-Q1243 VanDerWaalsContact OD2-NE2 3.1Å
385	N	35.5	Very low	42.3	Very low	47 Å²	47	27.9 Å²	27.9	25%	0.251	17%	0.168	S	C	.	.			trans	-116.3	116.4	164.5	-169.7	-12.3	0	0	0	107.6	A383 D387	A383-N385 VanDerWaalsContact C-N 3.33Å; N385-D387 VanDerWaalsContact C-N 3.31Å; N385-D387 PolarHBondContact O-N 3.32Å
386	P	37.9	Very low	44.7	Very low	35 Å²	35	26 Å²	26	23%	0.227	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-33.4	-173.9	24	-31.5	0	0	0	112.9	P276 Y277 V388	P276-P386 HydrophobicContact CB-CB 4.19Å; Y277-P386 HydrophobicContact CD1-CG 4.35Å; Y277-P386 HydrophobicContact CE1-CB 4.23Å; Y277-P386 HydrophobicContact CE1-CG 3.8Å; P386-V388 VanDerWaalsContact C-N 3.34Å; P386-V388 PolarHBondContact O-N 2.72Å
387	D	41.2	Very low	47.4	Very low	69 Å²	69	21.1 Å²	21.1	37%	0.369	12%	0.12	S	C	.	.	H	α-helix	trans	-92.7	9.3	-160.5	-52.9	-27.1	0	0	0	113.7	N385 Y390	N385-D387 VanDerWaalsContact C-N 3.31Å; N385-D387 PolarHBondContact O-N 3.32Å; D387-Y390 WeakPolarHBondContact O-CE1 2.93Å
388	V	47.5	Very low	49.8	Very low	8 Å²	8	22.1 Å²	22.1	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-120.7	-29.6	178	-175.3	0	0	0	0	112.1	P386 Y390 H1075 M1080	P386-V388 VanDerWaalsContact C-N 3.34Å; P386-V388 PolarHBondContact O-N 2.72Å; V388-Y390 PolarHBondContact O-N 2.91Å; V388-H1075 HydrophobicContact CG2-CB 4.44Å; V388-M1080 HydrophobicContact CG1-CB 4.02Å; V388-M1080 HydrophobicContact CG1-CG 4.23Å
389	G	48.5	Very low	51.9	Low	3 Å²	3	21.6 Å²	21.6	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-72.4	-26.7	-170.9	0	0	0	0	0	115.1	L393	G389-L393 WeakPolarHBondContact O-CB 2.74Å; G389-L393 PolarHBondContact O-N 3.5Å
390	Y	59.9	Low	54.3	Low	28 Å²	28	21.1 Å²	21.1	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-67.3	-43.6	-174	64.2	-94.8	0	0	0	112.3	E350 D387 V388 I392 L393 L394	E350-Y390 HydrophobicContact CB-CE2 3.94Å; E350-Y390 VanDerWaalsContact CD-CD2 3.43Å; E350-Y390 HydrophobicContact CG-CD2 4.06Å; E350-Y390 HydrophobicContact CG-CE2 3.42Å; E350-Y390 VanDerWaalsContact CG-CE2 3.42Å; E350-Y390 WeakPolarHBondContact OE2-CD2 3.46Å; E350-Y390 VanDerWaalsContact OE2-CE2 3.26Å; E350-Y390 WeakPolarHBondContact OE2-CE2 3.18Å; D387-Y390 WeakPolarHBondContact O-CE1 2.93Å; V388-Y390 PolarHBondContact O-N 2.91Å; Y390-I392 VanDerWaalsContact C-N 3.29Å; Y390-I392 PolarHBondContact O-N 2.65Å; Y390-L393 WeakPolarHBondContact O-CB 3.37Å; Y390-L393 PolarHBondContact O-N 3.34Å; Y390-L393 VanDerWaalsContact O-N 3.1Å; Y390-L394 HydrophobicContact CD2-CD1 4.1Å; Y390-L394 WeakPolarHBondContact O-CB 3.36Å; Y390-L394 WeakPolarHBondContact O-CG 3.4Å; Y390-L394 PolarHBondContact O-N 3.27Å
391	G	63	Low	57.1	Low	10 Å²	10	21.8 Å²	21.8	10%	0.103	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-38.3	-178.9	0	0	0	0	0	112.8	A395	G391-A395 PolarHBondContact O-N 3.36Å
392	I	66.1	Low	59.5	Low	8 Å²	8	24.4 Å²	24.4	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-67.5	-47.1	173	-70.3	-179.1	0	0	0	110.9	L325 Y390 L394 A395 I396 M1080 Q1083 L1087 L1101	L325-I392 HydrophobicContact CD2-CG2 4.1Å; Y390-I392 VanDerWaalsContact C-N 3.29Å; Y390-I392 PolarHBondContact O-N 2.65Å; I392-L394 VanDerWaalsContact C-N 3.3Å; I392-L394 PolarHBondContact O-N 3.37Å; I392-A395 PolarHBondContact O-N 3.32Å; I392-I396 HydrophobicContact CG2-CD1 3.8Å; I392-I396 VanDerWaalsContact O-CD1 3.3Å; I392-I396 WeakPolarHBondContact O-CD1 3.15Å; I392-I396 VanDerWaalsContact O-CG1 3.29Å; I392-I396 WeakPolarHBondContact O-CG1 3.36Å; I392-I396 PolarHBondContact O-N 3.21Å; I392-M1080 HydrophobicContact CD1-CG 4.03Å; I392-Q1083 HydrophobicContact CD1-CB 3.53Å; I392-L1087 HydrophobicContact CG2-CD1 3.31Å; I392-L1101 HydrophobicContact CG1-CD2 4.08Å
393	L	71.8	Confident	62	Low	4 Å²	4	26.9 Å²	26.9	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-43	177.2	-179.9	61.9	0	0	0	111.8	H321 L324 L325 I328 V343 G389 Y390 I396 I397	H321-L393 HydrophobicContact CB-CD2 4.02Å; L324-L393 HydrophobicContact CD2-CD1 4.04Å; L324-L393 HydrophobicContact CD2-CD2 4.19Å; L324-L393 HydrophobicContact CG-CD1 4.18Å; L325-L393 HydrophobicContact CD2-CB 3.9Å; L325-L393 HydrophobicContact CD2-CD1 3.94Å; L325-L393 HydrophobicContact CG-CB 4.26Å; L325-L393 HydrophobicContact CG-CD1 4.31Å; I328-L393 HydrophobicContact CD1-CD1 4.19Å; V343-L393 HydrophobicContact CG1-CD2 4.27Å; V343-L393 HydrophobicContact CG2-CD2 4.23Å; G389-L393 WeakPolarHBondContact O-CB 2.74Å; G389-L393 PolarHBondContact O-N 3.5Å; Y390-L393 WeakPolarHBondContact O-CB 3.37Å; Y390-L393 PolarHBondContact O-N 3.34Å; Y390-L393 VanDerWaalsContact O-N 3.1Å; L393-I396 PolarHBondContact O-N 3.39Å; L393-I397 WeakPolarHBondContact O-CG1 3.13Å; L393-I397 PolarHBondContact O-N 3.45Å
394	L	75.6	Confident	64.8	Low	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-39.7	178.3	-72.1	166.4	0	0	0	112.4	I346 Y390 I392 I396 I397 L411 F530 Y534 P1102	I346-L394 HydrophobicContact CD1-CD2 4.25Å; Y390-L394 HydrophobicContact CD2-CD1 4.1Å; Y390-L394 WeakPolarHBondContact O-CB 3.36Å; Y390-L394 WeakPolarHBondContact O-CG 3.4Å; Y390-L394 PolarHBondContact O-N 3.27Å; I392-L394 VanDerWaalsContact C-N 3.3Å; I392-L394 PolarHBondContact O-N 3.37Å; L394-I396 VanDerWaalsContact C-N 3.34Å; L394-I397 HydrophobicContact CD2-CD1 4.35Å; L394-L411 HydrophobicContact CD2-CD2 4.18Å; L394-F530 HydrophobicContact CD1-CZ 3.79Å; L394-F530 HydrophobicContact CD2-CE1 4.11Å; L394-F530 HydrophobicContact CD2-CZ 3.98Å; L394-Y534 VanDerWaalsContact C-OH 3.3Å; L394-Y534 VanDerWaalsContact CA-OH 3.31Å; L394-Y534 WeakPolarHBondContact CA-OH 3.25Å; L394-Y534 VanDerWaalsContact CB-OH 3.31Å; L394-Y534 WeakPolarHBondContact CB-OH 3.47Å; L394-Y534 HydrophobicContact CD2-CE2 4.49Å; L394-Y534 VanDerWaalsContact CD2-OH 3.28Å; L394-Y534 WeakPolarHBondContact CD2-OH 3.47Å; L394-Y534 PolarHBondContact O-OH 3.46Å; L394-P1102 HydrophobicContact CB-CG 4.05Å; L394-P1102 HydrophobicContact CD1-CG 4.39Å
395	A	70	Confident	67.4	Low	22 Å²	22	33.9 Å²	33.9	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-71.2	-24.4	177.4	0	0	0	0	0	113.8	G391 I392 P398 L1101	G391-A395 PolarHBondContact O-N 3.36Å; I392-A395 PolarHBondContact O-N 3.32Å; A395-P398 WeakPolarHBondContact O-CD 3.26Å; A395-L1101 HydrophobicContact CB-CD2 4.04Å
396	I	74.7	Confident	70	Confident	9 Å²	9	36.5 Å²	36.5	5%	0.046	19%	0.193	C	C	.	.	H	α-helix	trans	-80.3	-28.9	178.9	-66	156.9	0	0	0	112.4	L325 I392 L393 L394 P398 S399 L400 L1087	L325-I396 HydrophobicContact CD2-CD1 3.68Å; I392-I396 HydrophobicContact CG2-CD1 3.8Å; I392-I396 VanDerWaalsContact O-CD1 3.3Å; I392-I396 WeakPolarHBondContact O-CD1 3.15Å; I392-I396 VanDerWaalsContact O-CG1 3.29Å; I392-I396 WeakPolarHBondContact O-CG1 3.36Å; I392-I396 PolarHBondContact O-N 3.21Å; L393-I396 PolarHBondContact O-N 3.39Å; L394-I396 VanDerWaalsContact C-N 3.34Å; I396-P398 VanDerWaalsContact C-CD 3.5Å; I396-S399 WeakPolarHBondContact O-CA 3.05Å; I396-S399 WeakPolarHBondContact O-CB 3.07Å; I396-S399 PolarHBondContact O-N 2.81Å; I396-L400 HydrophobicContact CG2-CD1 3.8Å; I396-L400 HydrophobicContact CG2-CG 3.83Å; I396-L400 PolarHBondContact O-N 3.46Å; I396-L400 VanDerWaalsContact O-N 3.08Å; I396-L1087 HydrophobicContact CD1-CD1 3.67Å; I396-L1087 HydrophobicContact CD1-CD2 3.56Å; I396-L1087 HydrophobicContact CD1-CG 4.17Å; I396-L1087 HydrophobicContact CG1-CD2 4.34Å
397	I	81.6	Confident	72.6	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-49.4	-45.5	-175.9	-77.6	165.5	0	0	0	113.8	I239 V343 L393 L394 S399 L400 L401 V409 L411 Y534	I239-I397 HydrophobicContact CD1-CG2 3.98Å; I239-I397 HydrophobicContact CG1-CG2 4.48Å; V343-I397 HydrophobicContact CG2-CD1 4.17Å; L393-I397 WeakPolarHBondContact O-CG1 3.13Å; L393-I397 PolarHBondContact O-N 3.45Å; L394-I397 HydrophobicContact CD2-CD1 4.35Å; I397-S399 VanDerWaalsContact C-N 3.3Å; I397-S399 PolarHBondContact O-N 2.95Å; I397-L400 PolarHBondContact O-N 3.27Å; I397-L401 HydrophobicContact CG2-CD1 3.78Å; I397-L401 WeakPolarHBondContact O-CG 3.13Å; I397-L401 PolarHBondContact O-N 3.46Å; I397-V409 HydrophobicContact CD1-CG1 3.97Å; I397-V409 HydrophobicContact CG1-CG1 4.33Å; I397-V409 HydrophobicContact CG2-CB 4.39Å; I397-V409 HydrophobicContact CG2-CG1 3.94Å; I397-V409 HydrophobicContact CG2-CG2 4.26Å; I397-L411 HydrophobicContact CD1-CD2 3.99Å; I397-Y534 HydrophobicContact CB-CE1 4.36Å; I397-Y534 HydrophobicContact CG2-CE1 4.04Å
398	P	76.9	Confident	75.1	Confident	62 Å²	62	33.6 Å²	33.6	40%	0.403	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-34.2	176.5	-24.1	35.8	0	0	0	113.7	A395 I396 N402 Y534	A395-P398 WeakPolarHBondContact O-CD 3.26Å; I396-P398 VanDerWaalsContact C-CD 3.5Å; P398-N402 PolarHBondContact O-N 2.86Å; P398-N402 VanDerWaalsContact O-N 3.15Å; P398-Y534 HydrophobicContact CG-CD1 4.31Å; P398-Y534 HydrophobicContact CG-CE1 4.02Å
399	S	69.9	Low	77.3	Confident	16 Å²	16	33.4 Å²	33.4	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-71.5	-43	176.9	-170.9	0	0	0	0	111.8	M368 I396 I397 L401 N402 Q403	M368-S399 WeakPolarHBondContact CB-OG 3.48Å; I396-S399 WeakPolarHBondContact O-CA 3.05Å; I396-S399 WeakPolarHBondContact O-CB 3.07Å; I396-S399 PolarHBondContact O-N 2.81Å; I397-S399 VanDerWaalsContact C-N 3.3Å; I397-S399 PolarHBondContact O-N 2.95Å; S399-L401 VanDerWaalsContact C-N 3.33Å; S399-L401 PolarHBondContact O-N 3.14Å; S399-N402 WeakPolarHBondContact O-CB 3.31Å; S399-N402 PolarHBondContact O-N 3.34Å; S399-Q403 PolarHBondContact O-N 2.94Å
400	L	79.2	Confident	79.4	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-40.5	175.6	-74.6	173.7	0	0	0	112.3	I328 M335 I396 I397 Q403 Y404 L407	I328-L400 HydrophobicContact CD1-CD1 3.9Å; I328-L400 HydrophobicContact CG1-CD1 4.35Å; I328-L400 HydrophobicContact CG2-CD1 4.41Å; I328-L400 HydrophobicContact CG2-CD2 4.1Å; M335-L400 HydrophobicContact CG-CD2 4.09Å; I396-L400 HydrophobicContact CG2-CD1 3.8Å; I396-L400 HydrophobicContact CG2-CG 3.83Å; I396-L400 PolarHBondContact O-N 3.46Å; I396-L400 VanDerWaalsContact O-N 3.08Å; I397-L400 PolarHBondContact O-N 3.27Å; L400-Q403 PolarHBondContact O-N 3.41Å; L400-Y404 HydrophobicContact CD2-CD2 4.29Å; L400-Y404 HydrophobicContact CD2-CE2 4.3Å; L400-Y404 WeakPolarHBondContact O-CB 3.45Å; L400-Y404 PolarHBondContact O-N 2.79Å; L400-L407 HydrophobicContact CB-CD2 4.2Å
401	L	84.3	Confident	80.9	Confident	24 Å²	24	32 Å²	32	13%	0.126	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-34.4	177.1	-72.9	165.9	0	0	0	112.7	P238 I239 I397 S399 Q403 Y404 Q405 L407 V409	P238-L401 HydrophobicContact CB-CD1 4.43Å; P238-L401 HydrophobicContact CB-CD2 4.1Å; I239-L401 HydrophobicContact CD1-CD1 3.6Å; I239-L401 HydrophobicContact CG1-CD1 3.41Å; I239-L401 VanDerWaalsContact CG1-CD1 3.41Å; I397-L401 HydrophobicContact CG2-CD1 3.78Å; I397-L401 WeakPolarHBondContact O-CG 3.13Å; I397-L401 PolarHBondContact O-N 3.46Å; S399-L401 VanDerWaalsContact C-N 3.33Å; S399-L401 PolarHBondContact O-N 3.14Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; L401-Y404 CarbonylContact O-C 3.53Å; L401-Q405 PolarHBondContact O-N 2.83Å; L401-L407 HydrophobicContact CD2-CB 4.26Å; L401-L407 HydrophobicContact CD2-CG 4.46Å; L401-L407 WeakPolarHBondContact CD2-O 3.46Å; L401-V409 HydrophobicContact CD1-CG2 4.25Å; L401-V409 HydrophobicContact CD2-CG2 3.97Å; L401-V409 HydrophobicContact CG-CG2 4.2Å
402	N	79.6	Confident	82.1	Confident	92 Å²	92	31.5 Å²	31.5	49%	0.492	16%	0.161	S	C	.	.	H	α-helix	trans	-65.9	-37.8	173.1	-168.3	29.9	0	0	0	111.8	A365 P398 S399	A365-N402 PolarHBondContact O-ND2 3.01Å; P398-N402 PolarHBondContact O-N 2.86Å; P398-N402 VanDerWaalsContact O-N 3.15Å; S399-N402 WeakPolarHBondContact O-CB 3.31Å; S399-N402 PolarHBondContact O-N 3.34Å
403	Q	80.1	Confident	82.8	Confident	65 Å²	65	31.1 Å²	31.1	30%	0.304	16%	0.159	S	C	.	.	H	α-helix	trans	-78.2	-35.3	177.9	-169.3	177.6	33.8	0	0	113.3	M369 S399 L400 L401	M369-Q403 PolarHBondContact SD-NE2 3.02Å; M369-Q403 VanDerWaalsContact SD-NE2 3.38Å; M369-Q403 PolarHBondContact SD-OE1 2.76Å; M369-Q403 VanDerWaalsContact SD-OE1 3.35Å; S399-Q403 PolarHBondContact O-N 2.94Å; L400-Q403 PolarHBondContact O-N 3.41Å; L401-Q403 VanDerWaalsContact C-N 3.35Å
404	Y	87.3	Confident	82.7	Confident	26 Å²	26	31.1 Å²	31.1	10%	0.102	16%	0.159	C	C	.	.			trans	-127.3	74.4	-172.7	-59.3	-63.8	0	0	0	111	P332 M335 A336 L400 L401 H406 L407	P332-Y404 PolarHBondContact O-OH 3.21Å; M335-Y404 HydrophobicContact CB-CD2 3.76Å; M335-Y404 HydrophobicContact CB-CE2 3.62Å; M335-Y404 HydrophobicContact CB-CG 4.47Å; M335-Y404 HydrophobicContact CG-CE2 4.45Å; A336-Y404 HydrophobicContact CB-CD1 4.19Å; A336-Y404 HydrophobicContact CB-CE1 3.64Å; L400-Y404 HydrophobicContact CD2-CD2 4.29Å; L400-Y404 HydrophobicContact CD2-CE2 4.3Å; L400-Y404 WeakPolarHBondContact O-CB 3.45Å; L400-Y404 PolarHBondContact O-N 2.79Å; L401-Y404 CarbonylContact O-C 3.53Å; Y404-H406 AromaticContact CD1-CE1 3.98Å; Y404-H406 PolarHBondContact O-N 2.87Å; Y404-L407 WeakPolarHBondContact O-CB 3.23Å; Y404-L407 PolarHBondContact O-N 2.62Å
405	Q	85.7	Confident	82	Confident	175 Å²	175	31.7 Å²	31.7	82%	0.818	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.5	-176.8	-63.3	179.3	-7.2	0	0	115.4	L401	L401-Q405 PolarHBondContact O-N 2.83Å
406	H	89.3	Confident	81.4	Confident	102 Å²	102	30.9 Å²	30.9	47%	0.472	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.4	174.9	64.2	-102	0	0	0	113.8	Y404	Y404-H406 AromaticContact CD1-CE1 3.98Å; Y404-H406 PolarHBondContact O-N 2.87Å
407	L	91.7	Very high	80.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.163	C	C	.	.			trans	-76.2	131.1	-174.6	-176.5	65.6	0	0	0	110.4	T338 I341 L400 L401 Y404 V409	T338-L407 HydrophobicContact CG2-CD1 3.92Å; T338-L407 WeakPolarHBondContact O-CD1 3.5Å; I341-L407 HydrophobicContact CD1-CD1 4.12Å; I341-L407 HydrophobicContact CD1-CD2 4.07Å; I341-L407 HydrophobicContact CG1-CD1 4.1Å; L400-L407 HydrophobicContact CB-CD2 4.2Å; L401-L407 HydrophobicContact CD2-CB 4.26Å; L401-L407 HydrophobicContact CD2-CG 4.46Å; L401-L407 WeakPolarHBondContact CD2-O 3.46Å; Y404-L407 WeakPolarHBondContact O-CB 3.23Å; Y404-L407 PolarHBondContact O-N 2.62Å; L407-V409 HydrophobicContact CD2-CG2 4.37Å; L407-V409 HydrophobicContact CG-CG2 4.28Å
408	K	93.9	Very high	78.4	Confident	42 Å²	42	32.7 Å²	32.7	18%	0.183	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.6	171.3	-62.5	-57.3	-164.4	165	0	110.3	I234 N235 N237 T339 H340 I341	I234-K408 HydrophobicContact CG2-CB 4.42Å; I234-K408 WeakPolarHBondContact O-CD 3.24Å; I234-K408 WeakPolarHBondContact O-CE 3.37Å; I234-K408 PolarHBondContact O-NZ 2.8Å; N235-K408 PolarHBondContact O-NZ 3.33Å; N237-K408 WeakPolarHBondContact O-CD 3.44Å; N237-K408 PolarHBondContact O-NZ 2.85Å; T339-K408 PolarHBondContact O-N 3.49Å; H340-K408 CarbonylContact C-O 3.48Å; H340-K408 VanDerWaalsContact CA-O 3.28Å; H340-K408 WeakPolarHBondContact CA-O 3.43Å; I341-K408 PolarHBondContact N-O 3.08Å
409	V	93.6	Very high	76.6	Confident	3 Å²	3	34 Å²	34	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.8	179.1	177.7	0	0	0	0	110.1	P238 I239 T240 I341 I397 L401 L407 L411	P238-V409 PolarHBondContact O-N 3.35Å; I239-V409 CarbonylContact C-O 3.55Å; I239-V409 VanDerWaalsContact CA-O 3.28Å; I239-V409 WeakPolarHBondContact CA-O 3.49Å; I239-V409 HydrophobicContact CG1-CB 4.38Å; T240-V409 PolarHBondContact N-O 2.8Å; I341-V409 HydrophobicContact CB-CG2 4.48Å; I341-V409 WeakPolarHBondContact O-CA 3.47Å; I397-V409 HydrophobicContact CD1-CG1 3.97Å; I397-V409 HydrophobicContact CG1-CG1 4.33Å; I397-V409 HydrophobicContact CG2-CB 4.39Å; I397-V409 HydrophobicContact CG2-CG1 3.94Å; I397-V409 HydrophobicContact CG2-CG2 4.26Å; L401-V409 HydrophobicContact CD1-CG2 4.25Å; L401-V409 HydrophobicContact CD2-CG2 3.97Å; L401-V409 HydrophobicContact CG-CG2 4.2Å; L407-V409 HydrophobicContact CD2-CG2 4.37Å; L407-V409 HydrophobicContact CG-CG2 4.28Å; V409-L411 HydrophobicContact CG1-CD2 3.95Å; V409-L411 HydrophobicContact CG1-CG 4.42Å
410	I	94.1	Very high	75	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.3	-177.6	-49.9	162.7	0	0	0	108.7	I234 T240 I242 L254 L258 I341 I342 V343	I234-I410 HydrophobicContact CD1-CD1 3.66Å; I234-I410 HydrophobicContact CD1-CG1 4.16Å; I234-I410 HydrophobicContact CG1-CD1 4.16Å; I234-I410 HydrophobicContact CG1-CG1 4.19Å; I234-I410 HydrophobicContact CG2-CD1 4.16Å; I234-I410 HydrophobicContact CG2-CG1 4.43Å; T240-I410 WeakPolarHBondContact O-CA 3.28Å; I242-I410 HydrophobicContact CD1-CG2 3.71Å; I242-I410 HydrophobicContact CG1-CG2 4.08Å; L254-I410 HydrophobicContact CD2-CG2 3.95Å; L258-I410 HydrophobicContact CD1-CD1 3.55Å; L258-I410 HydrophobicContact CD2-CD1 4.49Å; I341-I410 PolarHBondContact O-N 2.84Å; I342-I410 WeakPolarHBondContact CA-O 3.46Å; I342-I410 HydrophobicContact CG1-CB 4.45Å; I342-I410 HydrophobicContact CG1-CD1 4.23Å; V343-I410 PolarHBondContact N-O 2.91Å
411	L	90.2	Very high	73.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.3	-175.9	-56.3	178.7	0	0	0	108.1	I239 T240 I241 I242 V343 I346 L394 I397 V409 F530 Y534	I239-L411 HydrophobicContact CG2-CD1 3.87Å; I239-L411 HydrophobicContact CG2-CG 4.25Å; T240-L411 PolarHBondContact O-N 3.44Å; I241-L411 CarbonylContact C-O 3.6Å; I241-L411 WeakPolarHBondContact CA-O 3.39Å; I241-L411 HydrophobicContact CG1-CB 4.34Å; I241-L411 HydrophobicContact CG1-CD1 4.24Å; I242-L411 PolarHBondContact N-O 3.43Å; V343-L411 HydrophobicContact CB-CD2 3.93Å; V343-L411 HydrophobicContact CG2-CD2 4.01Å; I346-L411 HydrophobicContact CD1-CB 3.91Å; I346-L411 HydrophobicContact CD1-CD2 4.1Å; L394-L411 HydrophobicContact CD2-CD2 4.18Å; I397-L411 HydrophobicContact CD1-CD2 3.99Å; V409-L411 HydrophobicContact CG1-CD2 3.95Å; V409-L411 HydrophobicContact CG1-CG 4.42Å; L411-F530 HydrophobicContact CD1-CD1 4.37Å; L411-F530 HydrophobicContact CD1-CE1 4.14Å; L411-Y534 HydrophobicContact CD1-CD2 3.72Å; L411-Y534 HydrophobicContact CD1-CE2 3.4Å; L411-Y534 VanDerWaalsContact CD1-CE2 3.4Å
412	I	88.4	Confident	71	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.6	179.7	-52.5	178.4	0	0	0	108.5	I242 K250 L254 I342 V343 D344 I346	I242-I412 WeakPolarHBondContact O-CA 3.3Å; K250-I412 HydrophobicContact CB-CD1 4.48Å; K250-I412 HydrophobicContact CB-CG2 3.85Å; K250-I412 HydrophobicContact CD-CG2 3.75Å; K250-I412 HydrophobicContact CG-CG2 4.4Å; L254-I412 HydrophobicContact CD2-CD1 3.77Å; L254-I412 HydrophobicContact CD2-CG1 4.13Å; I342-I412 HydrophobicContact CG2-CD1 3.53Å; I342-I412 HydrophobicContact CG2-CG1 4Å; V343-I412 PolarHBondContact O-N 2.96Å; D344-I412 HydrophobicContact CB-CB 4.44Å; D344-I412 HydrophobicContact CB-CD1 4.16Å; D344-I412 WeakPolarHBondContact OD1-CB 3.35Å; D344-I412 WeakPolarHBondContact OD1-CG2 3.32Å; I346-I412 WeakPolarHBondContact CB-O 3.41Å; I346-I412 PolarHBondContact N-O 3.23Å
413	I	79.9	Confident	68.8	Low	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.8	179	-55.2	-177.5	0	0	0	108.9	I241 I242 G244 I346 D348 S415 L527 F530	I241-I413 HydrophobicContact CG2-CD1 3.61Å; I241-I413 HydrophobicContact CG2-CG1 4.1Å; I242-I413 PolarHBondContact O-N 3.18Å; G244-I413 PolarHBondContact N-O 3.32Å; I346-I413 HydrophobicContact CB-CG1 4.17Å; I346-I413 HydrophobicContact CG2-CG1 4.01Å; D348-I413 VanDerWaalsContact OD1-CG2 3.31Å; D348-I413 WeakPolarHBondContact OD1-CG2 3.39Å; I413-S415 PolarHBondContact O-N 3.3Å; I413-S415 VanDerWaalsContact O-N 3.07Å; I413-L527 HydrophobicContact CB-CD2 4.22Å; I413-L527 HydrophobicContact CD1-CD2 3.72Å; I413-L527 HydrophobicContact CG2-CD2 3.96Å; I413-F530 HydrophobicContact CD1-CB 4.47Å; I413-F530 HydrophobicContact CD1-CD1 3.78Å; I413-F530 HydrophobicContact CD1-CE1 4.19Å; I413-F530 HydrophobicContact CD1-CG 4.25Å
414	N	70.6	Confident	66.7	Low	4 Å²	4	48.7 Å²	48.7	2%	0.021	23%	0.234	C	C	.	.			trans	-87.2	59.9	-177.7	-100	-24.7	0	0	0	111.5	K250 E345 I346 R416 Q1039	K250-N414 PolarHBondContact NZ-OD1 2.68Å; E345-N414 PolarHBondContact OE1-ND2 2.96Å; E345-N414 PolarHBondContact OE2-ND2 3.23Å; I346-N414 PolarHBondContact O-N 2.83Å; N414-R416 VanDerWaalsContact O-CG 3.32Å; N414-R416 WeakPolarHBondContact O-CG 3.47Å; N414-R416 PolarHBondContact O-N 2.84Å; N414-R416 VanDerWaalsContact O-N 3.15Å; N414-Q1039 PolarHBondContact O-NE2 3.06Å
415	S	61.5	Low	64.2	Low	14 Å²	14	53.3 Å²	53.3	10%	0.098	26%	0.256	C	S	.	.			trans	-51.6	120.7	-171.2	-62	0	0	0	0	112.6	S243 G244 D348 I413	S243-S415 WeakPolarHBondContact OG-CB 3.32Å; S243-S415 PolarHBondContact OG-OG 2.88Å; G244-S415 PolarHBondContact O-N 3.43Å; D348-S415 PolarHBondContact OD1-OG 3.43Å; D348-S415 WeakPolarHBondContact OD2-CA 3.38Å; I413-S415 PolarHBondContact O-N 3.3Å; I413-S415 VanDerWaalsContact O-N 3.07Å
416	R	56.4	Low	61.7	Low	5 Å²	5	48.3 Å²	48.3	2%	0.019	24%	0.235	C	C	.	.			trans	-91.6	-29.7	-160.1	-42.4	-176	98.9	139.1	18	112.1	E347 D348 D349 N414 S1035 N1036	E347-R416 IonicContact OE1-CZ 3.54Å; E347-R416 IonicContact OE1-NH1 2.72Å; E347-R416 PolarHBondContact OE1-NH1 3.4Å; E347-R416 IonicContact OE1-NH2 3.7Å; E347-R416 PolarHBondContact OE1-NH2 3.2Å; E347-R416 IonicContact OE2-CZ 2.9Å; E347-R416 IonicContact OE2-NH1 3.88Å; E347-R416 PolarHBondContact OE2-NH1 3.21Å; E347-R416 IonicContact OE2-NH2 3.84Å; E347-R416 PolarHBondContact OE2-NH2 2.79Å; D348-R416 HydrophobicContact CB-CG 4.43Å; D348-R416 WeakPolarHBondContact OD2-CG 3.39Å; D348-R416 PolarHBondContact OD2-N 2.84Å; D349-R416 IonicContact OD1-CZ 2.68Å; D349-R416 IonicContact OD1-NH1 2.72Å; D349-R416 PolarHBondContact OD1-NH1 2.86Å; D349-R416 IonicContact OD2-NH1 3.32Å; N414-R416 VanDerWaalsContact O-CG 3.32Å; N414-R416 WeakPolarHBondContact O-CG 3.47Å; N414-R416 PolarHBondContact O-N 2.84Å; N414-R416 VanDerWaalsContact O-N 3.15Å; R416-S1035 VanDerWaalsContact CB-CB 3.41Å; R416-S1035 WeakPolarHBondContact CB-OG 3Å; R416-N1036 PolarHBondContact NH2-ND2 3.47Å
417	I	50.4	Low	59.1	Low	40 Å²	40	47.3 Å²	47.3	21%	0.205	23%	0.232	C	C	.	.	S	Bend	trans	-81.9	138.6	177.6	-61.5	-158.2	0	0	0	111.4	Y524	I417-Y524 HydrophobicContact CB-CE2 4.15Å; I417-Y524 HydrophobicContact CD1-CE2 4.03Å; I417-Y524 WeakPolarHBondContact CD1-OH 3.25Å; I417-Y524 HydrophobicContact CG1-CE2 4.33Å; I417-Y524 HydrophobicContact CG2-CE2 4.44Å
418	S	44.5	Very low	56.4	Low	12 Å²	12	49.6 Å²	49.6	8%	0.084	25%	0.245	C	C	.	.			trans	-78.9	127.1	171.6	81.4	0	0	0	0	110.6	Y420 E421 Y544	S418-Y420 PolarHBondContact O-N 3.42Å; S418-E421 PolarHBondContact O-N 2.71Å; S418-E421 WeakPolarHBondContact OG-CG 3.43Å; S418-E421 PolarHBondContact OG-N 2.78Å; S418-E421 PolarHBondContact OG-OE2 2.51Å; S418-Y544 WeakPolarHBondContact CA-OH 3.44Å; S418-Y544 VanDerWaalsContact CB-OH 3.24Å; S418-Y544 WeakPolarHBondContact CB-OH 3.38Å
419	T	38.2	Very low	53.6	Low	88 Å²	88	50.8 Å²	50.8	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-17.1	168.8	45.1	0	0	0	0	112.2	C423	T419-C423 WeakPolarHBondContact O-CB 3.39Å; T419-C423 PolarHBondContact O-N 2.13Å; T419-C423 VanDerWaalsContact O-N 3.14Å; T419-C423 PolarHBondContact O-SG 3.16Å
420	Y	35.9	Very low	50.8	Low	155 Å²	155	56.8 Å²	56.8	61%	0.608	28%	0.281	S	S	*	.	H	α-helix	trans	-72.4	-40.9	-179.3	-138.6	-94.1	0	0	0	113.6	S418 H424	S418-Y420 PolarHBondContact O-N 3.42Å; Y420-H424 PolarHBondContact O-N 3.35Å
421	E	41.3	Very low	47.9	Very low	90 Å²	90	61.7 Å²	61.7	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-69.8	-41.9	178.6	-76.9	160.9	151.2	0	0	111	S418 H424 E425	S418-E421 PolarHBondContact O-N 2.71Å; S418-E421 WeakPolarHBondContact OG-CG 3.43Å; S418-E421 PolarHBondContact OG-N 2.78Å; S418-E421 PolarHBondContact OG-OE2 2.51Å; E421-H424 WeakPolarHBondContact O-CB 3.19Å; E421-H424 PolarHBondContact O-N 3.22Å; E421-H424 VanDerWaalsContact O-N 3.12Å; E421-E425 PolarHBondContact O-N 3.27Å; E421-E425 VanDerWaalsContact O-N 3.07Å
422	F	38.2	Very low	45.3	Very low	113 Å²	113	65.4 Å²	65.4	50%	0.496	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-39	177.7	-148.5	-92.7	0	0	0	112.8	H424 N426 V522	F422-H424 VanDerWaalsContact C-N 3.33Å; F422-N426 PolarHBondContact O-N 2.8Å; F422-V522 HydrophobicContact CD1-CG1 4.33Å
423	C	33.8	Very low	42.8	Very low	54 Å²	54	71.2 Å²	71.2	37%	0.365	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-36.8	170.6	-75.5	0	0	0	0	112	T419 I427	T419-C423 WeakPolarHBondContact O-CB 3.39Å; T419-C423 PolarHBondContact O-N 2.13Å; T419-C423 VanDerWaalsContact O-N 3.14Å; T419-C423 PolarHBondContact O-SG 3.16Å; C423-I427 HydrophobicContact CB-CD1 4.49Å; C423-I427 WeakPolarHBondContact O-CB 3.29Å; C423-I427 WeakPolarHBondContact O-CD1 3.34Å; C423-I427 WeakPolarHBondContact O-CG1 3.15Å; C423-I427 PolarHBondContact O-N 2.66Å
424	H	35.9	Very low	40.6	Very low	98 Å²	98	74.9 Å²	74.9	45%	0.454	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-46.1	177.6	-113.2	-77.2	0	0	0	112.2	Y420 E421 F422 L428	Y420-H424 PolarHBondContact O-N 3.35Å; E421-H424 WeakPolarHBondContact O-CB 3.19Å; E421-H424 PolarHBondContact O-N 3.22Å; E421-H424 VanDerWaalsContact O-N 3.12Å; F422-H424 VanDerWaalsContact C-N 3.33Å; H424-L428 WeakPolarHBondContact O-CB 3.42Å; H424-L428 VanDerWaalsContact O-CD1 3.29Å; H424-L428 WeakPolarHBondContact O-CD1 3.42Å; H424-L428 VanDerWaalsContact O-CG 3.25Å; H424-L428 WeakPolarHBondContact O-CG 3.32Å; H424-L428 PolarHBondContact O-N 3.44Å
425	E	35.6	Very low	38.9	Very low	123 Å²	123	80.6 Å²	80.6	58%	0.575	41%	0.407	S	S	*	.	H	α-helix	trans	-61.3	-45.3	176.9	-74.4	-143.3	115.4	0	0	112.7	E421 L428 N429	E421-E425 PolarHBondContact O-N 3.27Å; E421-E425 VanDerWaalsContact O-N 3.07Å; E425-L428 CarbonylContact O-C 3.52Å; E425-L428 PolarHBondContact O-N 2.67Å; E425-N429 WeakPolarHBondContact O-CB 3.27Å; E425-N429 VanDerWaalsContact O-CG 3.22Å; E425-N429 PolarHBondContact O-N 3.1Å; E425-N429 PolarHBondContact O-ND2 2.82Å
426	N	32.5	Very low	37.6	Very low	70 Å²	70	86.3 Å²	86.3	37%	0.374	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-48.7	178.8	-76	-25	0	0	0	112	F422 L428 N429 E430	F422-N426 PolarHBondContact O-N 2.8Å; N426-L428 VanDerWaalsContact C-N 3.28Å; N426-L428 PolarHBondContact O-N 3.34Å; N426-N429 CarbonylContact O-C 3.58Å; N426-N429 WeakPolarHBondContact O-CA 3.41Å; N426-N429 PolarHBondContact O-N 3.01Å; N426-E430 PolarHBondContact O-N 3.39Å
427	I	35.2	Very low	36.4	Very low	80 Å²	80	90.4 Å²	90.4	41%	0.41	47%	0.466	S	S	.	.	H	α-helix	trans	-58.9	-41.8	175.3	-68.3	166.2	0	0	0	110.5	C423 N429 M431	C423-I427 HydrophobicContact CB-CD1 4.49Å; C423-I427 WeakPolarHBondContact O-CB 3.29Å; C423-I427 WeakPolarHBondContact O-CD1 3.34Å; C423-I427 WeakPolarHBondContact O-CG1 3.15Å; C423-I427 PolarHBondContact O-N 2.66Å; I427-N429 VanDerWaalsContact C-N 3.27Å; I427-N429 PolarHBondContact O-N 3.21Å; I427-M431 HydrophobicContact CG2-CE 3.79Å; I427-M431 HydrophobicContact CG2-CG 4.39Å; I427-M431 HydrophobicContact CG2-SD 4.03Å; I427-M431 VanDerWaalsContact O-CB 3.25Å; I427-M431 WeakPolarHBondContact O-CB 3.39Å; I427-M431 VanDerWaalsContact O-CG 3.22Å; I427-M431 WeakPolarHBondContact O-CG 3.21Å; I427-M431 PolarHBondContact O-N 3.01Å
428	L	33.7	Very low	35.6	Very low	50 Å²	50	94.3 Å²	94.3	26%	0.262	49%	0.491	S	S	.	.	H	α-helix	trans	-69.7	-21.4	176.2	-77.3	159.7	0	0	0	113.2	H424 E425 N426 K432 K863	H424-L428 WeakPolarHBondContact O-CB 3.42Å; H424-L428 VanDerWaalsContact O-CD1 3.29Å; H424-L428 WeakPolarHBondContact O-CD1 3.42Å; H424-L428 VanDerWaalsContact O-CG 3.25Å; H424-L428 WeakPolarHBondContact O-CG 3.32Å; H424-L428 PolarHBondContact O-N 3.44Å; E425-L428 CarbonylContact O-C 3.52Å; E425-L428 PolarHBondContact O-N 2.67Å; N426-L428 VanDerWaalsContact C-N 3.28Å; N426-L428 PolarHBondContact O-N 3.34Å; L428-K432 WeakPolarHBondContact O-CB 3.37Å; L428-K432 PolarHBondContact O-N 2.65Å; L428-K863 HydrophobicContact CB-CD 3.9Å; L428-K863 HydrophobicContact CD1-CB 4.01Å; L428-K863 HydrophobicContact CD1-CD 4.36Å; L428-K863 WeakPolarHBondContact O-CE 3.47Å; L428-K863 PolarHBondContact O-NZ 3.43Å
429	N	35.9	Very low	34.9	Very low	66 Å²	66	101.3 Å²	101.3	35%	0.353	53%	0.528	S	S	.	.	H	α-helix	trans	-84.3	-43	174.5	-76.4	-24.2	0	0	0	111	E425 N426 I427 M431 K432 N433 K863	E425-N429 WeakPolarHBondContact O-CB 3.27Å; E425-N429 VanDerWaalsContact O-CG 3.22Å; E425-N429 PolarHBondContact O-N 3.1Å; E425-N429 PolarHBondContact O-ND2 2.82Å; N426-N429 CarbonylContact O-C 3.58Å; N426-N429 WeakPolarHBondContact O-CA 3.41Å; N426-N429 PolarHBondContact O-N 3.01Å; I427-N429 VanDerWaalsContact C-N 3.27Å; I427-N429 PolarHBondContact O-N 3.21Å; N429-M431 VanDerWaalsContact C-N 3.32Å; N429-M431 PolarHBondContact O-N 3.49Å; N429-K432 PolarHBondContact O-N 2.84Å; N429-N433 WeakPolarHBondContact O-CB 3.46Å; N429-N433 PolarHBondContact O-N 3.34Å; N429-N433 PolarHBondContact O-ND2 3.47Å; N429-N433 PolarHBondContact O-OD1 2.83Å; N429-K863 PolarHBondContact OD1-NZ 3.01Å
430	E	35.8	Very low	34.4	Very low	129 Å²	129	101.5 Å²	101.5	60%	0.603	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-38.4	170.8	-67.8	-174	137.7	0	0	111.9	N426 N433 S434	N426-E430 PolarHBondContact O-N 3.39Å; E430-N433 PolarHBondContact O-N 2.83Å; E430-S434 VanDerWaalsContact O-CB 3.28Å; E430-S434 WeakPolarHBondContact O-CB 3.41Å; E430-S434 PolarHBondContact O-N 3.38Å; E430-S434 PolarHBondContact O-OG 2.9Å
431	M	32.9	Very low	34.1	Very low	104 Å²	104	99.6 Å²	99.6	51%	0.512	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-44.1	171.5	-75	-177.4	177.4	0	0	111.7	I427 N429 N433 S434 I435	I427-M431 HydrophobicContact CG2-CE 3.79Å; I427-M431 HydrophobicContact CG2-CG 4.39Å; I427-M431 HydrophobicContact CG2-SD 4.03Å; I427-M431 VanDerWaalsContact O-CB 3.25Å; I427-M431 WeakPolarHBondContact O-CB 3.39Å; I427-M431 VanDerWaalsContact O-CG 3.22Å; I427-M431 WeakPolarHBondContact O-CG 3.21Å; I427-M431 PolarHBondContact O-N 3.01Å; N429-M431 VanDerWaalsContact C-N 3.32Å; N429-M431 PolarHBondContact O-N 3.49Å; M431-N433 VanDerWaalsContact C-N 3.34Å; M431-N433 PolarHBondContact O-N 3.19Å; M431-S434 PolarHBondContact O-N 2.96Å; M431-I435 HydrophobicContact CB-CD1 4.31Å; M431-I435 VanDerWaalsContact O-CB 3.24Å; M431-I435 WeakPolarHBondContact O-CB 3.48Å; M431-I435 WeakPolarHBondContact O-CD1 3.21Å; M431-I435 WeakPolarHBondContact O-CG1 3.33Å; M431-I435 PolarHBondContact O-N 2.71Å
432	K	34.8	Very low	33.4	Very low	79 Å²	79	100.3 Å²	100.3	34%	0.343	56%	0.56	S	S	.	*	H	α-helix	trans	-57.2	-46.5	172.7	-94.8	-166.9	173.4	-178.4	0	111.6	L428 N429 S434 I435 N436 T861	L428-K432 WeakPolarHBondContact O-CB 3.37Å; L428-K432 PolarHBondContact O-N 2.65Å; N429-K432 PolarHBondContact O-N 2.84Å; K432-S434 VanDerWaalsContact C-N 3.31Å; K432-S434 PolarHBondContact O-N 3.28Å; K432-I435 PolarHBondContact O-N 2.86Å; K432-N436 WeakPolarHBondContact O-CB 3.39Å; K432-N436 PolarHBondContact O-N 3.41Å; K432-N436 VanDerWaalsContact O-N 3.14Å; K432-N436 PolarHBondContact O-ND2 2.84Å; K432-N436 PolarHBondContact O-OD1 3.45Å; K432-T861 PolarHBondContact NZ-OG1 3.49Å
433	N	35.5	Very low	32.8	Very low	121 Å²	121	99.7 Å²	99.7	65%	0.647	57%	0.569	S	S	*	*	H	α-helix	trans	-67.7	-32	-178.2	-67.7	-11.2	0	0	0	112.3	N429 E430 M431	N429-N433 WeakPolarHBondContact O-CB 3.46Å; N429-N433 PolarHBondContact O-N 3.34Å; N429-N433 PolarHBondContact O-ND2 3.47Å; N429-N433 PolarHBondContact O-OD1 2.83Å; E430-N433 PolarHBondContact O-N 2.83Å; M431-N433 VanDerWaalsContact C-N 3.34Å; M431-N433 PolarHBondContact O-N 3.19Å
434	S	33.7	Very low	32.5	Very low	77 Å²	77	103.6 Å²	103.6	54%	0.538	59%	0.591	S	S	.	*	H	α-helix	trans	-78	-40.6	176	-55.6	0	0	0	0	112.4	E430 M431 K432 N436 S437	E430-S434 VanDerWaalsContact O-CB 3.28Å; E430-S434 WeakPolarHBondContact O-CB 3.41Å; E430-S434 PolarHBondContact O-N 3.38Å; E430-S434 PolarHBondContact O-OG 2.9Å; M431-S434 PolarHBondContact O-N 2.96Å; K432-S434 VanDerWaalsContact C-N 3.31Å; K432-S434 PolarHBondContact O-N 3.28Å; S434-N436 VanDerWaalsContact C-N 3.32Å; S434-N436 PolarHBondContact O-N 3.35Å; S434-S437 PolarHBondContact O-N 3.07Å; S434-S437 PolarHBondContact O-OG 3.33Å
435	I	35.2	Very low	32	Very low	124 Å²	124	104.2 Å²	104.2	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-67.8	-31.2	-179.3	-71.6	165.5	0	0	0	111.6	M431 K432 S437	M431-I435 HydrophobicContact CB-CD1 4.31Å; M431-I435 VanDerWaalsContact O-CB 3.24Å; M431-I435 WeakPolarHBondContact O-CB 3.48Å; M431-I435 WeakPolarHBondContact O-CD1 3.21Å; M431-I435 WeakPolarHBondContact O-CG1 3.33Å; M431-I435 PolarHBondContact O-N 2.71Å; K432-I435 PolarHBondContact O-N 2.86Å; I435-S437 PolarHBondContact O-N 3.22Å
436	N	33.9	Very low	31.6	Very low	134 Å²	134	106 Å²	106	72%	0.717	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	12.7	176.5	-71.9	-8.7	0	0	0	114.9	K432 S434	K432-N436 WeakPolarHBondContact O-CB 3.39Å; K432-N436 PolarHBondContact O-N 3.41Å; K432-N436 VanDerWaalsContact O-N 3.14Å; K432-N436 PolarHBondContact O-ND2 2.84Å; K432-N436 PolarHBondContact O-OD1 3.45Å; S434-N436 VanDerWaalsContact C-N 3.32Å; S434-N436 PolarHBondContact O-N 3.35Å
437	S	32.5	Very low	31.3	Very low	92 Å²	92	107.1 Å²	107.1	64%	0.643	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-4.1	-174.9	72.1	0	0	0	0	116.1	S434 I435	S434-S437 PolarHBondContact O-N 3.07Å; S434-S437 PolarHBondContact O-OG 3.33Å; I435-S437 PolarHBondContact O-N 3.22Å
438	V	32.5	Very low	30.8	Very low	122 Å²	122	113.8 Å²	113.8	74%	0.739	65%	0.646	S	S	*	*			trans	-131.6	133.8	-175.3	-174.7	0	0	0	0	111.7
439	N	29.7	Very low	30.5	Very low	158 Å²	158	115.3 Å²	115.3	85%	0.845	66%	0.659	S	S	*	*			trans	-93.4	147.4	-177.8	-76	-53.8	0	0	0	113.6
440	A	28.7	Very low	29.9	Very low	92 Å²	92	120 Å²	120	76%	0.76	68%	0.679	S	S	*	*			trans	73.7	168.2	161.7	0	0	0	0	0	116.1
441	P	28.1	Very low	29.5	Very low	115 Å²	115	119.1 Å²	119.1	75%	0.747	68%	0.682	S	S	*	*				-135.8	-178.7	-96.7	36	-15.8	0	0	0	116.4
442	S	27.5	Very low	29.1	Very low	105 Å²	105	121.4 Å²	121.4	73%	0.734	69%	0.691	S	S	*	*			trans	78.5	127.7	159.7	62.8	0	0	0	0	121.2
443	S	26	Very low	28.7	Very low	100 Å²	100	125.1 Å²	125.1	70%	0.699	72%	0.715	S	S	*	*			trans	52.9	85.3	144.6	63.4	0	0	0	0	121.2
444	V	27	Very low	28.2	Very low	136 Å²	136	126 Å²	126	82%	0.824	72%	0.72	S	S	*	*			trans	-142.9	122.9	137.5	-175.5	0	0	0	0	109.1
445	P	26.2	Very low	27.8	Very low	111 Å²	111	127.6 Å²	127.6	72%	0.721	74%	0.738	S	S	*	*			trans	-83	123	177.2	31.5	-32.3	0	0	0	112	T447	P445-T447 PolarHBondContact O-N 2.92Å
446	M	26.3	Very low	27.4	Very low	162 Å²	162	126.2 Å²	126.2	80%	0.798	75%	0.745	S	S	*	*			trans	-91.1	88.9	174.8	-107.4	-76.3	-75.9	0	0	110.6	Y448	M446-Y448 PolarHBondContact O-N 3.42Å
447	T	26.2	Very low	26.9	Very low	93 Å²	93	127.8 Å²	127.8	57%	0.571	75%	0.748	S	S	*	*			trans	-66.9	111.7	176.4	48	0	0	0	0	112	P445 C449	P445-T447 PolarHBondContact O-N 2.92Å; T447-C449 PolarHBondContact O-N 3.14Å
448	Y	25.9	Very low	26.7	Very low	220 Å²	220	134.2 Å²	134.2	86%	0.863	76%	0.759	S	S	*	*			trans	-77.6	78	157.7	-107.5	-85.8	0	0	0	109.3	M446	M446-Y448 PolarHBondContact O-N 3.42Å
449	C	26.2	Very low	26.1	Very low	81 Å²	81	136.6 Å²	136.6	55%	0.547	76%	0.76	S	S	.	*			trans	-66.5	135.4	179.6	-75	0	0	0	0	112.1	T447 V451	T447-C449 PolarHBondContact O-N 3.14Å; C449-V451 VanDerWaalsContact C-N 3.27Å; C449-V451 HydrophobicContact CB-CG2 3.93Å; C449-V451 PolarHBondContact O-N 2.96Å
450	E	24.1	Very low	26.1	Very low	166 Å²	166	140 Å²	140	78%	0.776	76%	0.763	S	S	*	*			trans	-62.9	90	150.3	-63.9	-173.1	108.2	0	0	109	H452	E450-H452 PolarHBondContact O-N 3.33Å
451	V	26.2	Very low	25.8	Very low	110 Å²	110	143.3 Å²	143.3	67%	0.667	76%	0.762	S	S	*	*			trans	-75.1	92.6	177.6	-176.9	0	0	0	0	109.6	C449 N453	C449-V451 VanDerWaalsContact C-N 3.27Å; C449-V451 HydrophobicContact CB-CG2 3.93Å; C449-V451 PolarHBondContact O-N 2.96Å; V451-N453 PolarHBondContact O-N 2.93Å
452	H	25	Very low	25.8	Very low	152 Å²	152	146.2 Å²	146.2	70%	0.704	77%	0.77	S	S	*	*			trans	-52.6	104.1	161.1	-90.3	-101.4	0	0	0	110.1	E450 N454	E450-H452 PolarHBondContact O-N 3.33Å; H452-N454 PolarHBondContact O-N 2.84Å
453	N	25.9	Very low	25.6	Very low	157 Å²	157	145.9 Å²	145.9	84%	0.84	77%	0.767	S	S	*	*			trans	-75.8	63.8	166.8	-88.1	-22.4	0	0	0	111.1	V451	V451-N453 PolarHBondContact O-N 2.93Å
454	N	26	Very low	25.5	Very low	139 Å²	139	146 Å²	146	74%	0.743	77%	0.768	S	S	*	*			trans	-73	120.8	156.4	-88.2	-10.5	0	0	0	107.8	H452 A456	H452-N454 PolarHBondContact O-N 2.84Å; N454-A456 PolarHBondContact O-N 3.09Å
455	A	24.4	Very low	25.5	Very low	111 Å²	111	147.1 Å²	147.1	92%	0.917	77%	0.768	S	S	*	*			trans	-75.9	105	-175.2	0	0	0	0	0	111.9
456	A	27.3	Very low	25.5	Very low	95 Å²	95	149 Å²	149	79%	0.785	77%	0.771	S	S	*	*			trans	-147.7	154.7	164.1	0	0	0	0	0	111.3	N454	N454-A456 PolarHBondContact O-N 3.09Å
457	Q	23.7	Very low	25.6	Very low	167 Å²	167	150.8 Å²	150.8	78%	0.78	78%	0.775	S	S	*	*			trans	-68.3	148.7	178.8	-60.1	137.2	-35.6	0	0	111.2
458	Y	27.1	Very low	25.5	Very low	226 Å²	226	156.1 Å²	156.1	89%	0.886	79%	0.79	S	S	*	*				-173.9	143.7	109.6	-96	-67.8	0	0	0	110.9
459	K	21.5	Very low	25.6	Very low	172 Å²	172	149.3 Å²	149.3	75%	0.748	79%	0.787	S	S	*	*			trans	-78.1	151.4	166.2	-71.6	-178	169.9	-167.5	0	109.5
460	Y	28.1	Very low	25.6	Very low	231 Å²	231	155 Å²	155	91%	0.906	81%	0.806	S	S	*	*				-155	151.5	124.2	-108.5	-71.1	0	0	0	111.3
461	E	22.3	Very low	25.7	Very low	160 Å²	160	155.1 Å²	155.1	75%	0.748	81%	0.81	S	S	*	*			trans	-103.2	133.9	-179.4	-61.2	156.2	135	0	0	109.6
462	I	28.5	Very low	25.6	Very low	177 Å²	177	158.7 Å²	158.7	91%	0.908	82%	0.819	S	S	*	*			trans	-134.7	131.6	152.6	-62	-174.7	0	0	0	107.9
463	S	23.2	Very low	25.5	Very low	97 Å²	97	159.4 Å²	159.4	68%	0.678	82%	0.823	S	S	*	*			trans	-107.3	164.7	-176.5	55.2	0	0	0	0	112.3
464	S	24.8	Very low	25.5	Very low	102 Å²	102	157.6 Å²	157.6	71%	0.713	82%	0.82	S	S	*	*			trans	59.9	120.5	158	62.2	0	0	0	0	119.6
465	I	27.5	Very low	25.3	Very low	161 Å²	161	159 Å²	159	83%	0.826	82%	0.819	S	S	*	*				-142.9	135.2	123	-96.5	146.1	0	0	0	106.7	F467	I465-F467 HydrophobicContact CG2-CD2 4.18Å
466	N	25.5	Very low	25.4	Very low	149 Å²	149	163.2 Å²	163.2	80%	0.797	82%	0.817	S	S	*	*			trans	-97.4	140.4	174.1	-92.1	-55.4	0	0	0	109.5
467	F	28.6	Very low	25.3	Very low	201 Å²	201	165.2 Å²	165.2	88%	0.882	82%	0.815	S	S	*	*			trans	-131.2	115.6	156.1	-103.6	-87.3	0	0	0	110.4	I465	I465-F467 HydrophobicContact CG2-CD2 4.18Å
468	K	24.6	Very low	25.4	Very low	204 Å²	204	165 Å²	165	89%	0.887	82%	0.818	S	S	*	*			trans	-99.2	126.9	163.7	-75.4	-175.8	175.4	-178.5	0	107.9
469	G	27.8	Very low	25.6	Very low	77 Å²	77	161.7 Å²	161.7	79%	0.794	81%	0.814	S	S	*	*			trans	-144.8	126.8	169.8	0	0	0	0	0	109.4
470	Q	24.9	Very low	26	Very low	200 Å²	200	159.9 Å²	159.9	94%	0.935	81%	0.813	S	S	*	*			trans	-93.6	118.4	178.6	-65.4	172.7	-58.8	0	0	109.7
471	I	26.7	Very low	26.2	Very low	170 Å²	170	154.7 Å²	154.7	87%	0.872	80%	0.801	S	S	*	*			trans	-131.5	153.3	161.1	-62.1	-174.5	0	0	0	108
472	Q	25	Very low	26.7	Very low	184 Å²	184	150.2 Å²	150.2	86%	0.86	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-91.7	156.8	-155.2	-64.9	159.2	-20.7	0	0	114.1
473	Q	22.8	Very low	26.7	Very low	168 Å²	168	149.9 Å²	149.9	79%	0.785	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-74.6	138.1	169.5	-68.9	-179.7	-19.5	0	0	111.9
474	P	24.1	Very low	27.1	Very low	118 Å²	118	151.8 Å²	151.8	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.3	126.7	148.1	32.5	-27.5	0	0	0	109.9
475	K	23.2	Very low	27.4	Very low	168 Å²	168	154.3 Å²	154.3	73%	0.73	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-86.4	143.6	163.5	-72.7	-177.8	176.2	-178.3	0	109.5
476	F	26.2	Very low	27.5	Very low	201 Å²	201	153 Å²	153	88%	0.882	79%	0.786	S	S	*	*			trans	-130.1	158.2	153.8	-95	-85.1	0	0	0	110.2
477	N	25.6	Very low	27.6	Very low	137 Å²	137	150.5 Å²	150.5	73%	0.733	78%	0.781	S	S	*	*			trans	-102.8	149.6	-142.9	-64.9	-37.1	0	0	0	115.8
478	L	24.9	Very low	27.6	Very low	163 Å²	163	145.7 Å²	145.7	85%	0.853	77%	0.772	S	S	*	*			trans	-84.9	157.2	156.1	-79.9	149.8	0	0	0	110.6
479	I	32	Very low	27.9	Very low	155 Å²	155	142.7 Å²	142.7	80%	0.795	77%	0.771	S	S	*	*			trans	-133.9	106.2	167.4	-58.3	177.4	0	0	0	104.2
480	N	29.7	Very low	27.9	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	77%	0.769	S	S	*	*				58.6	135.6	80.7	-79.6	15.1	0	0	0	113.5
481	N	33	Very low	28.2	Very low	123 Å²	123	138.6 Å²	138.6	66%	0.658	75%	0.752	S	S	*	*			cis	-126.3	168.7	7.2	-55.1	-74.2	0	0	0	109	F483	N481-F483 HydrophobicContact CB-CE1 4.12Å; N481-F483 HydrophobicContact CB-CE2 3.77Å; N481-F483 HydrophobicContact CB-CZ 3.52Å
482	G	31.6	Very low	28.5	Very low	65 Å²	65	139.3 Å²	139.3	67%	0.67	75%	0.751	S	S	*	*			cis	152.8	172.2	11.1	0	0	0	0	0	107.1
483	F	28.6	Very low	28.9	Very low	170 Å²	170	136.1 Å²	136.1	75%	0.746	75%	0.749	S	S	*	*			cis	-158.3	161.7	1.2	-61.9	-85.6	0	0	0	106.9	N481	N481-F483 HydrophobicContact CB-CE1 4.12Å; N481-F483 HydrophobicContact CB-CE2 3.77Å; N481-F483 HydrophobicContact CB-CZ 3.52Å
484	D	31.3	Very low	29.3	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	75%	0.746	S	S	*	*			cis	-133.4	-113.1	-6.3	-145.2	-83.8	0	0	0	110.6
485	E	31.4	Very low	29.8	Very low	155 Å²	155	135.2 Å²	135.2	72%	0.724	75%	0.748	S	S	*	*			cis	-152.6	-163.5	-7.3	-144.3	-125.7	78.4	0	0	111.1
486	L	29.2	Very low	30.2	Very low	133 Å²	133	133.8 Å²	133.8	70%	0.696	75%	0.748	S	S	*	*			trans	-84.5	134.4	-161.7	-60.6	165.2	0	0	0	113.6
487	S	27.8	Very low	30.6	Very low	98 Å²	98	132.1 Å²	132.1	69%	0.685	75%	0.749	S	S	*	*				73.9	140.9	72	120.5	0	0	0	0	114.4
488	S	29.3	Very low	30.8	Very low	100 Å²	100	133 Å²	133	70%	0.699	75%	0.752	S	S	*	*			cis	-173.2	-175.3	-1.1	43	0	0	0	0	112.5
489	V	30.7	Very low	31.2	Very low	140 Å²	140	130.9 Å²	130.9	85%	0.848	75%	0.751	S	S	*	*			trans	95.8	151.2	162.3	-168.4	0	0	0	0	118.4
490	S	28.5	Very low	31.3	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	75%	0.754	S	S	*	*			trans	-120.3	-165.8	-163.9	55.3	0	0	0	0	112.2
491	S	30.9	Very low	31.4	Very low	83 Å²	83	127.7 Å²	127.7	58%	0.58	76%	0.756	S	S	*	*			cis	-169.4	167.7	17.9	60.9	0	0	0	0	113.3
492	H	33.1	Very low	31.4	Very low	185 Å²	185	130.7 Å²	130.7	86%	0.856	76%	0.763	S	S	*	*			trans	59	157	159	-59.1	-57.4	0	0	0	118.9
493	S	33.6	Very low	31.4	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	77%	0.766	S	S	*	*			cis	-148.8	-159	26.5	57.9	0	0	0	0	114.3
494	T	30.7	Very low	31.4	Very low	117 Å²	117	129.3 Å²	129.3	72%	0.718	77%	0.765	S	S	*	*			trans	-118.5	168.5	-167.7	52	0	0	0	0	114.7
495	D	34.9	Very low	31.4	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	77%	0.774	S	S	*	*				178.3	173.2	117.6	-90.4	5.5	0	0	0	115.3
496	N	31.4	Very low	31.1	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	78%	0.779	S	S	*	*			trans	-115.8	166	-165.4	-62	-82.3	0	0	0	113.9
497	N	35.4	Very low	31.1	Very low	166 Å²	166	131.9 Å²	131.9	89%	0.888	78%	0.783	S	S	*	*			trans	-166.2	162.8	140.5	-105.4	-50.3	0	0	0	114.1
498	L	29.8	Very low	31.2	Very low	154 Å²	154	132.6 Å²	132.6	81%	0.806	79%	0.786	S	S	*	*			trans	-121.9	156.1	-168.6	-65.9	78.9	0	0	0	114.1
499	S	32.3	Very low	31.1	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	79%	0.792	S	S	*	*				176.5	158.1	121.2	42.6	0	0	0	0	114.2
500	P	35	Very low	30.9	Very low	131 Å²	131	135 Å²	135	85%	0.851	79%	0.791	S	S	*	*			trans	-131.9	166.2	-164.5	41.9	-26	0	0	0	117.5
501	A	31.8	Very low	30.8	Very low	91 Å²	91	133.6 Å²	133.6	75%	0.752	79%	0.786	S	S	*	*			trans	-157	127.5	164.8	0	0	0	0	0	116.6
502	F	31.3	Very low	30.6	Very low	186 Å²	186	137.7 Å²	137.7	82%	0.816	80%	0.802	S	S	*	*			trans	58.5	102.8	145.7	-80.8	-95.3	0	0	0	124.8
503	T	32.1	Very low	30.3	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	80%	0.803	S	S	*	*				54.9	150.1	123.5	60.6	0	0	0	0	123.7
504	A	29.3	Very low	29.9	Very low	86 Å²	86	141.5 Å²	141.5	71%	0.711	80%	0.802	S	S	*	*			cis	-174.4	126.9	-23.1	0	0	0	0	0	111.3
505	K	30.1	Very low	29.7	Very low	212 Å²	212	143.1 Å²	143.1	92%	0.922	81%	0.806	S	S	*	*			trans	-159.3	147.7	146.4	-114.4	174.1	-176.9	179.4	0	108.5
506	V	26.2	Very low	29.2	Very low	139 Å²	139	143.9 Å²	143.9	84%	0.842	81%	0.81	S	S	*	*			trans	-108.6	123.1	-150.7	-178.6	0	0	0	0	113.5
507	T	28.5	Very low	29	Very low	127 Å²	127	145.4 Å²	145.4	78%	0.779	82%	0.816	S	S	*	*			trans	-136.8	133.9	160.2	35.9	0	0	0	0	108.7
508	P	31.1	Very low	28.6	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	81%	0.808	S	S	*	*			trans	-75.8	144.7	-174.7	30.4	-34.9	0	0	0	112.5
509	P	25.8	Very low	28.4	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	80%	0.801	S	S	*	*			trans	-85.6	115.5	-175	32.4	-33.6	0	0	0	112.8
510	I	28.2	Very low	28.1	Very low	163 Å²	163	142 Å²	142	84%	0.836	80%	0.799	S	S	*	*			trans	-125.7	60.8	162.2	-48.1	-177.2	0	0	0	109.2
511	A	26.2	Very low	27.9	Very low	80 Å²	80	142.1 Å²	142.1	66%	0.661	79%	0.793	S	S	*	*			trans	-136.3	92.6	171	0	0	0	0	0	108
512	N	25.9	Very low	28	Very low	169 Å²	169	141.4 Å²	141.4	90%	0.904	78%	0.779	S	S	*	*	S	Bend	trans	173.3	0.7	161.1	-92.6	-13	0	0	0	113.8
513	I	26.5	Very low	28.4	Very low	173 Å²	173	135.2 Å²	135.2	89%	0.887	76%	0.756	S	S	*	*			trans	-106.7	48.1	167.1	-40.2	-178.7	0	0	0	110
514	R	25.8	Very low	29.4	Very low	209 Å²	209	132.1 Å²	132.1	79%	0.789	73%	0.732	S	S	*	*			trans	-129.9	71.6	170.3	-78.6	-171	-179.8	178.4	1	108.8
515	N	25.5	Very low	30.4	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	74%	0.735	S	S	*	*	S	Bend	trans	-179.9	112	164.9	-89.9	-24.1	0	0	0	106
516	N	25.4	Very low	31.6	Very low	164 Å²	164	127.9 Å²	127.9	88%	0.877	70%	0.7	S	S	*	*			trans	147.6	-7.1	164.2	-80.7	-5.4	0	0	0	114.7	S518	N516-S518 PolarHBondContact O-N 2.94Å
517	I	26.7	Very low	33.5	Very low	171 Å²	171	121.4 Å²	121.4	88%	0.877	66%	0.661	S	S	*	*			trans	-85	92.4	157.4	-57.1	179.1	0	0	0	106.3	S519	I517-S519 PolarHBondContact O-N 2.99Å
518	S	26.6	Very low	35.4	Very low	101 Å²	101	119.1 Å²	119.1	71%	0.706	64%	0.641	S	S	*	*			trans	-64.4	117	169.2	45.8	0	0	0	0	108.8	N516 E520	N516-S518 PolarHBondContact O-N 2.94Å; S518-E520 PolarHBondContact O-N 3.02Å
519	S	26.7	Very low	37.1	Very low	96 Å²	96	114.1 Å²	114.1	67%	0.671	61%	0.611	S	S	*	*			trans	-69.1	99.7	174.9	53	0	0	0	0	109.9	I517 N521	I517-S519 PolarHBondContact O-N 2.99Å; S519-N521 PolarHBondContact O-N 3.01Å; S519-N521 VanDerWaalsContact O-N 3.09Å
520	E	25.7	Very low	39.1	Very low	171 Å²	171	108.1 Å²	108.1	80%	0.799	57%	0.571	S	S	*	*			trans	-63.6	110.5	163.2	-68.5	-158.9	144.2	0	0	108.5	S518 V522	S518-E520 PolarHBondContact O-N 3.02Å; E520-V522 VanDerWaalsContact C-N 3.29Å; E520-V522 PolarHBondContact O-N 3.48Å
521	N	31.7	Very low	41.6	Very low	135 Å²	135	101.2 Å²	101.2	72%	0.722	54%	0.537	S	S	*	.			trans	-73.7	84.8	179.2	-74.3	-34.5	0	0	0	109.2	S519 V523	S519-N521 PolarHBondContact O-N 3.01Å; S519-N521 VanDerWaalsContact O-N 3.09Å; N521-V523 HydrophobicContact CB-CG2 4.42Å; N521-V523 PolarHBondContact O-N 3.17Å
522	V	32.5	Very low	43.9	Very low	75 Å²	75	103 Å²	103	46%	0.455	53%	0.531	S	S	.	.			trans	-68.5	81	170.6	-175	0	0	0	0	108.6	F422 E520 Y524	F422-V522 HydrophobicContact CD1-CG1 4.33Å; E520-V522 VanDerWaalsContact C-N 3.29Å; E520-V522 PolarHBondContact O-N 3.48Å; V522-Y524 PolarHBondContact O-N 3.33Å; V522-Y524 VanDerWaalsContact O-N 3.16Å
523	V	40.7	Very low	46.1	Very low	56 Å²	56	97.4 Å²	97.4	34%	0.339	50%	0.497	S	S	.	.			trans	-68.3	111.6	-179.2	-179.1	0	0	0	0	109.5	N521 K525 Q528 I539	N521-V523 HydrophobicContact CB-CG2 4.42Å; N521-V523 PolarHBondContact O-N 3.17Å; V523-K525 PolarHBondContact O-N 3.08Å; V523-Q528 HydrophobicContact CG1-CG 3.8Å; V523-Q528 PolarHBondContact O-NE2 3.26Å; V523-I539 HydrophobicContact CG1-CD1 3.98Å
524	Y	52.5	Low	48.7	Very low	56 Å²	56	89.8 Å²	89.8	22%	0.22	46%	0.457	C	S	.	.			trans	-45.8	126	179.4	-167.1	-124.5	0	0	0	111.7	D348 I417 V522 P526 L527 E1067	D348-Y524 HydrophobicContact CB-CE1 4.46Å; I417-Y524 HydrophobicContact CB-CE2 4.15Å; I417-Y524 HydrophobicContact CD1-CE2 4.03Å; I417-Y524 WeakPolarHBondContact CD1-OH 3.25Å; I417-Y524 HydrophobicContact CG1-CE2 4.33Å; I417-Y524 HydrophobicContact CG2-CE2 4.44Å; V522-Y524 PolarHBondContact O-N 3.33Å; V522-Y524 VanDerWaalsContact O-N 3.16Å; Y524-P526 HydrophobicContact CD1-CB 3.98Å; Y524-P526 HydrophobicContact CD1-CG 3.89Å; Y524-P526 HydrophobicContact CE1-CB 3.83Å; Y524-P526 HydrophobicContact CE1-CG 3.44Å; Y524-P526 VanDerWaalsContact CE1-CG 3.44Å; Y524-L527 HydrophobicContact CD1-CG 4.28Å; Y524-L527 PolarHBondContact O-N 2.81Å; Y524-E1067 PolarHBondContact OH-OE1 3.15Å
525	K	50.4	Low	51.3	Low	181 Å²	181	85.8 Å²	85.8	79%	0.787	45%	0.452	S	S	*	.	H	α-helix	trans	-52.3	-46.7	-171.6	-84.7	-179.2	179.7	175.8	0	113	V523 L527 Q528	V523-K525 PolarHBondContact O-N 3.08Å; K525-L527 PolarHBondContact O-N 3.14Å; K525-Q528 WeakPolarHBondContact O-CB 3.45Å; K525-Q528 PolarHBondContact O-N 3.03Å
526	P	55.6	Low	53.9	Low	28 Å²	28	81 Å²	81	18%	0.182	44%	0.438	C	S	.	.	H	α-helix	trans	-53.7	-46.9	173.8	-32	38.6	0	0	0	114.4	I351 Y524 Q528 G529 F530	I351-P526 HydrophobicContact CB-CB 4.16Å; I351-P526 HydrophobicContact CD1-CB 3.56Å; I351-P526 HydrophobicContact CG1-CB 4.44Å; I351-P526 HydrophobicContact CG2-CB 3.92Å; I351-P526 WeakPolarHBondContact CG2-O 3.45Å; Y524-P526 HydrophobicContact CD1-CB 3.98Å; Y524-P526 HydrophobicContact CD1-CG 3.89Å; Y524-P526 HydrophobicContact CE1-CB 3.83Å; Y524-P526 HydrophobicContact CE1-CG 3.44Å; Y524-P526 VanDerWaalsContact CE1-CG 3.44Å; P526-Q528 PolarHBondContact O-N 3.37Å; P526-G529 WeakPolarHBondContact O-CA 3.09Å; P526-G529 PolarHBondContact O-N 2.86Å; P526-F530 PolarHBondContact O-N 3.28Å
527	L	66.9	Low	56.8	Low	3 Å²	3	73.6 Å²	73.6	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-56.6	-31.5	-179.4	-63.2	175.4	0	0	0	112.7	I413 Y524 K525 F530 S531 I539	I413-L527 HydrophobicContact CB-CD2 4.22Å; I413-L527 HydrophobicContact CD1-CD2 3.72Å; I413-L527 HydrophobicContact CG2-CD2 3.96Å; Y524-L527 HydrophobicContact CD1-CG 4.28Å; Y524-L527 PolarHBondContact O-N 2.81Å; K525-L527 PolarHBondContact O-N 3.14Å; L527-F530 PolarHBondContact O-N 3.35Å; L527-S531 PolarHBondContact O-N 3.38Å; L527-I539 HydrophobicContact CB-CD1 3.97Å; L527-I539 HydrophobicContact CD1-CG2 4.19Å
528	Q	68	Low	59.8	Low	78 Å²	78	66.5 Å²	66.5	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-33.2	174.3	-51.6	-174.6	15.4	0	0	112.9	V523 K525 P526 K532	V523-Q528 HydrophobicContact CG1-CG 3.8Å; V523-Q528 PolarHBondContact O-NE2 3.26Å; K525-Q528 WeakPolarHBondContact O-CB 3.45Å; K525-Q528 PolarHBondContact O-N 3.03Å; P526-Q528 PolarHBondContact O-N 3.37Å; Q528-K532 WeakPolarHBondContact O-CB 3.4Å; Q528-K532 WeakPolarHBondContact O-CD 3.49Å; Q528-K532 WeakPolarHBondContact O-CG 3.44Å; Q528-K532 PolarHBondContact O-N 2.7Å
529	G	65.5	Low	62.6	Low	9 Å²	9	63.9 Å²	63.9	9%	0.093	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-45.1	174.4	0	0	0	0	0	111.9	P526 K532 Y533	P526-G529 WeakPolarHBondContact O-CA 3.09Å; P526-G529 PolarHBondContact O-N 2.86Å; G529-K532 PolarHBondContact O-N 3.34Å; G529-Y533 PolarHBondContact O-N 3.15Å
530	F	69.2	Low	65.5	Low	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-42.3	177.5	-131.5	-115.3	0	0	0	112.4	I241 I346 I351 L394 L411 I413 P526 L527 K532 Y533 Y534	I241-F530 HydrophobicContact CD1-CB 4.4Å; I241-F530 HydrophobicContact CD1-CD1 4.43Å; I346-F530 HydrophobicContact CD1-CE1 4.43Å; I346-F530 HydrophobicContact CG2-CE1 4.29Å; I346-F530 HydrophobicContact CG2-CZ 4.01Å; I351-F530 HydrophobicContact CB-CD2 4.26Å; I351-F530 HydrophobicContact CG1-CD2 3.69Å; I351-F530 HydrophobicContact CG1-CE2 4.1Å; I351-F530 HydrophobicContact CG1-CG 4.34Å; I351-F530 HydrophobicContact CG2-CD2 4.26Å; L394-F530 HydrophobicContact CD1-CZ 3.79Å; L394-F530 HydrophobicContact CD2-CE1 4.11Å; L394-F530 HydrophobicContact CD2-CZ 3.98Å; L411-F530 HydrophobicContact CD1-CD1 4.37Å; L411-F530 HydrophobicContact CD1-CE1 4.14Å; I413-F530 HydrophobicContact CD1-CB 4.47Å; I413-F530 HydrophobicContact CD1-CD1 3.78Å; I413-F530 HydrophobicContact CD1-CE1 4.19Å; I413-F530 HydrophobicContact CD1-CG 4.25Å; P526-F530 PolarHBondContact O-N 3.28Å; L527-F530 PolarHBondContact O-N 3.35Å; F530-K532 PolarHBondContact O-N 2.78Å; F530-Y533 PolarHBondContact O-N 3.26Å; F530-Y534 HydrophobicContact CD1-CD2 4.26Å; F530-Y534 HydrophobicContact CD1-CE2 4.03Å; F530-Y534 AromaticContact CE1-CE2 3.95Å; F530-Y534 HydrophobicContact CE1-CE2 3.95Å; F530-Y534 WeakPolarHBondContact O-CD2 3.43Å; F530-Y534 PolarHBondContact O-N 2.57Å; F530-Y534 VanDerWaalsContact O-N 3.16Å
531	S	80	Confident	68.1	Low	18 Å²	18	55 Å²	55	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-46.2	172.6	174.8	0	0	0	0	111.6	L527 Y534 N535 G536 A537	L527-S531 PolarHBondContact O-N 3.38Å; S531-Y534 CarbonylContact O-C 3.58Å; S531-Y534 VanDerWaalsContact O-C 3.26Å; S531-Y534 PolarHBondContact O-N 3.37Å; S531-N535 PolarHBondContact O-N 3.35Å; S531-G536 WeakPolarHBondContact O-CA 3.34Å; S531-G536 PolarHBondContact O-N 3.27Å; S531-A537 WeakPolarHBondContact CB-O 3.43Å; S531-A537 PolarHBondContact O-N 3.4Å; S531-A537 PolarHBondContact OG-N 3.07Å; S531-A537 PolarHBondContact OG-O 2.78Å
532	K	74.2	Confident	70.2	Confident	119 Å²	119	48.9 Å²	48.9	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-39.4	177	-71.8	166.3	-174.2	171.4	0	113.2	L355 Q528 G529 F530 Y534 N535	L355-K532 HydrophobicContact CD2-CB 3.33Å; L355-K532 HydrophobicContact CD2-CD 4.15Å; L355-K532 HydrophobicContact CD2-CG 4.34Å; Q528-K532 WeakPolarHBondContact O-CB 3.4Å; Q528-K532 WeakPolarHBondContact O-CD 3.49Å; Q528-K532 WeakPolarHBondContact O-CG 3.44Å; Q528-K532 PolarHBondContact O-N 2.7Å; G529-K532 PolarHBondContact O-N 3.34Å; F530-K532 PolarHBondContact O-N 2.78Å; K532-Y534 PolarHBondContact O-N 3.09Å; K532-N535 PolarHBondContact O-N 2.86Å; K532-N535 VanDerWaalsContact O-N 3.11Å
533	Y	73.2	Confident	71.9	Confident	50 Å²	50	49 Å²	49	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-39.8	174	-177.6	-94.7	0	0	0	111.1	G529 F530 N535 A1100 P1102	G529-Y533 PolarHBondContact O-N 3.15Å; F530-Y533 PolarHBondContact O-N 3.26Å; Y533-N535 VanDerWaalsContact C-N 3.31Å; Y533-N535 PolarHBondContact O-N 3.48Å; Y533-A1100 PolarHBondContact OH-O 2.89Å; Y533-P1102 HydrophobicContact CE1-CG 4.11Å; Y533-P1102 HydrophobicContact CE2-CB 4.47Å; Y533-P1102 HydrophobicContact CE2-CG 4.35Å
534	Y	79.9	Confident	72.8	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.051	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	38.7	174	-67.7	-62.7	0	0	0	114.1	I239 L394 I397 P398 L411 F530 S531 K532 G536 A537	I239-Y534 HydrophobicContact CD1-CD1 3.39Å; I239-Y534 HydrophobicContact CD1-CE1 4.09Å; I239-Y534 HydrophobicContact CD1-CG 3.79Å; L394-Y534 VanDerWaalsContact C-OH 3.3Å; L394-Y534 VanDerWaalsContact CA-OH 3.31Å; L394-Y534 WeakPolarHBondContact CA-OH 3.25Å; L394-Y534 VanDerWaalsContact CB-OH 3.31Å; L394-Y534 WeakPolarHBondContact CB-OH 3.47Å; L394-Y534 HydrophobicContact CD2-CE2 4.49Å; L394-Y534 VanDerWaalsContact CD2-OH 3.28Å; L394-Y534 WeakPolarHBondContact CD2-OH 3.47Å; L394-Y534 PolarHBondContact O-OH 3.46Å; I397-Y534 HydrophobicContact CB-CE1 4.36Å; I397-Y534 HydrophobicContact CG2-CE1 4.04Å; P398-Y534 HydrophobicContact CG-CD1 4.31Å; P398-Y534 HydrophobicContact CG-CE1 4.02Å; L411-Y534 HydrophobicContact CD1-CD2 3.72Å; L411-Y534 HydrophobicContact CD1-CE2 3.4Å; L411-Y534 VanDerWaalsContact CD1-CE2 3.4Å; F530-Y534 HydrophobicContact CD1-CD2 4.26Å; F530-Y534 HydrophobicContact CD1-CE2 4.03Å; F530-Y534 AromaticContact CE1-CE2 3.95Å; F530-Y534 HydrophobicContact CE1-CE2 3.95Å; F530-Y534 WeakPolarHBondContact O-CD2 3.43Å; F530-Y534 PolarHBondContact O-N 2.57Å; F530-Y534 VanDerWaalsContact O-N 3.16Å; S531-Y534 CarbonylContact O-C 3.58Å; S531-Y534 VanDerWaalsContact O-C 3.26Å; S531-Y534 PolarHBondContact O-N 3.37Å; K532-Y534 PolarHBondContact O-N 3.09Å; Y534-G536 VanDerWaalsContact C-N 3.26Å; Y534-G536 PolarHBondContact O-N 3.25Å; Y534-G536 VanDerWaalsContact O-N 3.16Å; Y534-A537 PolarHBondContact O-N 2.93Å
535	N	81.2	Confident	73	Confident	126 Å²	126	56.4 Å²	56.4	67%	0.674	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	33.5	174.8	-74.9	-39.9	0	0	0	115.3	Q361 S531 K532 Y533	Q361-N535 PolarHBondContact NE2-OD1 3.33Å; S531-N535 PolarHBondContact O-N 3.35Å; K532-N535 PolarHBondContact O-N 2.86Å; K532-N535 VanDerWaalsContact O-N 3.11Å; Y533-N535 VanDerWaalsContact C-N 3.31Å; Y533-N535 PolarHBondContact O-N 3.48Å
536	G	80	Confident	73.2	Confident	52 Å²	52	50.8 Å²	50.8	54%	0.536	28%	0.277	S	S	.	.	S	Bend	trans	90.5	27.4	178.7	0	0	0	0	0	114.6	S531 Y534	S531-G536 WeakPolarHBondContact O-CA 3.34Å; S531-G536 PolarHBondContact O-N 3.27Å; Y534-G536 VanDerWaalsContact C-N 3.26Å; Y534-G536 PolarHBondContact O-N 3.25Å; Y534-G536 VanDerWaalsContact O-N 3.16Å
537	A	85.5	Confident	73.4	Confident	8 Å²	8	54 Å²	54	7%	0.066	29%	0.288	C	S	.	.			trans	-54.3	138.7	179	0	0	0	0	0	112.4	I239 I241 S531 Y534	I239-A537 HydrophobicContact CB-CB 4.05Å; I239-A537 HydrophobicContact CG2-CB 3.87Å; I241-A537 HydrophobicContact CD1-CB 4.26Å; S531-A537 WeakPolarHBondContact CB-O 3.43Å; S531-A537 PolarHBondContact O-N 3.4Å; S531-A537 PolarHBondContact OG-N 3.07Å; S531-A537 PolarHBondContact OG-O 2.78Å; Y534-A537 PolarHBondContact O-N 2.93Å
538	P	90.2	Very high	73.3	Confident	21 Å²	21	62.3 Å²	62.3	14%	0.136	33%	0.327	C	S	.	.			trans	-66.3	143.6	-175.9	28.9	-37.7	0	0	0	112.2	F233 N237 I239 T240 I241	F233-P538 HydrophobicContact CD1-CB 3.72Å; F233-P538 HydrophobicContact CD1-CG 4.05Å; F233-P538 HydrophobicContact CE1-CB 3.98Å; N237-P538 HydrophobicContact CB-CG 4.02Å; I239-P538 WeakPolarHBondContact O-CD 3.49Å; T240-P538 HydrophobicContact CG2-CG 4.47Å; I241-P538 WeakPolarHBondContact CB-O 3.43Å; I241-P538 PolarHBondContact N-O 3.34Å
539	I	85.7	Confident	73.6	Confident	46 Å²	46	59.6 Å²	59.6	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.3	176.6	-55.5	159.2	0	0	0	108.6	I241 V523 L527	I241-I539 HydrophobicContact CB-CG1 4.3Å; I241-I539 HydrophobicContact CD1-CG1 4.32Å; I241-I539 HydrophobicContact CG2-CG1 4.43Å; I241-I539 HydrophobicContact CG2-CG2 4.43Å; I241-I539 CarbonylContact O-C 3.1Å; I241-I539 WeakPolarHBondContact O-CA 3.4Å; V523-I539 HydrophobicContact CG1-CD1 3.98Å; L527-I539 HydrophobicContact CB-CD1 3.97Å; L527-I539 HydrophobicContact CD1-CG2 4.19Å
540	I	86.9	Confident	74.6	Confident	11 Å²	11	66.8 Å²	66.8	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.2	170.7	-48.3	179.1	0	0	0	108	I230 F233 T240 I241 I242 S243	I230-I540 HydrophobicContact CB-CD1 4.46Å; I230-I540 HydrophobicContact CG1-CD1 4.06Å; I230-I540 HydrophobicContact CG1-CG2 4.31Å; F233-I540 HydrophobicContact CB-CD1 3.8Å; F233-I540 HydrophobicContact CB-CG1 4.49Å; F233-I540 HydrophobicContact CD2-CD1 3.79Å; F233-I540 HydrophobicContact CD2-CG1 4.01Å; F233-I540 HydrophobicContact CG-CD1 4.07Å; F233-I540 HydrophobicContact CG-CG1 4.35Å; T240-I540 HydrophobicContact CG2-CD1 3.76Å; T240-I540 HydrophobicContact CG2-CG1 4.12Å; I241-I540 PolarHBondContact O-N 3.48Å; I242-I540 CarbonylContact C-O 3.43Å; I242-I540 WeakPolarHBondContact CA-O 3.12Å; I242-I540 HydrophobicContact CG1-CB 4.46Å; I242-I540 HydrophobicContact CG1-CD1 4.41Å; S243-I540 PolarHBondContact N-O 3.12Å
541	S	80.5	Confident	75.5	Confident	70 Å²	70	68.8 Å²	68.8	49%	0.49	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110	173.5	-60.5	0	0	0	0	109.6
542	I	76.6	Confident	76	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.036	36%	0.361	C	S	.	.			trans	-71.2	122.1	179.3	-58.1	175.1	0	0	0	108.5	V222 V223 I242 S243 I248 K250	V222-I542 HydrophobicContact CG1-CG2 4.28Å; V223-I542 HydrophobicContact CG1-CD1 4.39Å; V223-I542 HydrophobicContact CG2-CD1 4.39Å; I242-I542 HydrophobicContact CG2-CD1 3.64Å; I242-I542 HydrophobicContact CG2-CG1 4.04Å; S243-I542 PolarHBondContact O-N 2.68Å; I248-I542 HydrophobicContact CD1-CG2 3.67Å; I248-I542 HydrophobicContact CG1-CG2 4.45Å; K250-I542 HydrophobicContact CD-CD1 4.04Å; K250-I542 HydrophobicContact CG-CD1 4Å
543	P	66.7	Low	76.7	Confident	76 Å²	76	68.3 Å²	68.3	49%	0.494	35%	0.345	S	S	.	.			trans	-66.3	152.6	-179.7	28.9	-35.1	0	0	0	110.7	V222 I248	V222-P543 HydrophobicContact CG1-CG 4.06Å; V222-P543 VanDerWaalsContact CG1-O 3.24Å; V222-P543 WeakPolarHBondContact CG1-O 3.34Å; I248-P543 WeakPolarHBondContact CD1-O 3.41Å
544	Y	60.7	Low	77.4	Confident	81 Å²	81	66.3 Å²	66.3	32%	0.318	34%	0.337	S	S	.	.			trans	-151.1	162.2	177.2	79.9	-86	0	0	0	112.7	P245 S418 A546	P245-Y544 HydrophobicContact CB-CE1 4.32Å; P245-Y544 HydrophobicContact CB-CE2 4.46Å; P245-Y544 HydrophobicContact CG-CD1 3.6Å; P245-Y544 HydrophobicContact CG-CD2 3.87Å; P245-Y544 HydrophobicContact CG-CE1 3.82Å; P245-Y544 HydrophobicContact CG-CE2 4.1Å; P245-Y544 HydrophobicContact CG-CG 3.6Å; S418-Y544 WeakPolarHBondContact CA-OH 3.44Å; S418-Y544 VanDerWaalsContact CB-OH 3.24Å; S418-Y544 WeakPolarHBondContact CB-OH 3.38Å; Y544-A546 HydrophobicContact CE2-CB 4.34Å
545	R	56.6	Low	77.5	Confident	187 Å²	187	66.8 Å²	66.8	71%	0.706	34%	0.34	S	S	*	.			trans	-104.7	128.7	167.8	-72.7	175	172.3	167	-3.8	109.6	E219 K547	E219-R545 WeakPolarHBondContact OE1-CD 3.36Å; E219-R545 IonicContact OE1-CZ 3.56Å; E219-R545 IonicContact OE1-NH1 3.21Å; E219-R545 PolarHBondContact OE1-NH1 3.05Å; R545-K547 PolarHBondContact O-N 2.72Å
546	A	53.6	Low	77.8	Confident	63 Å²	63	62.5 Å²	62.5	52%	0.521	32%	0.317	S	S	.	.			trans	-68.6	122.5	171.5	0	0	0	0	0	109.8	Y544	Y544-A546 HydrophobicContact CE2-CB 4.34Å
547	K	60.1	Low	78.3	Confident	96 Å²	96	60 Å²	60	42%	0.417	29%	0.292	S	S	.	.			trans	-64.5	139.1	171.3	-64.5	-177	-173.1	173.6	0	110.1	R545 V549 V1044 G1045	R545-K547 PolarHBondContact O-N 2.72Å; K547-V549 HydrophobicContact CB-CG2 4.18Å; K547-V549 PolarHBondContact O-N 3.46Å; K547-V1044 PolarHBondContact NZ-O 2.62Å; K547-G1045 VanDerWaalsContact NZ-C 3.35Å; K547-G1045 PolarHBondContact NZ-O 2.86Å
548	Q	65.1	Low	78.4	Confident	178 Å²	178	59.7 Å²	59.7	83%	0.832	29%	0.289	S	S	*	.			trans	-76.6	74.3	170.3	-68.2	-173.3	-8.2	0	0	111.2
549	V	75.3	Confident	78.1	Confident	20 Å²	20	61.8 Å²	61.8	12%	0.121	30%	0.297	C	S	.	.			trans	-80.6	121.9	167.7	177.9	0	0	0	0	108.3	K547 K1041 V1044 C1052	K547-V549 HydrophobicContact CB-CG2 4.18Å; K547-V549 PolarHBondContact O-N 3.46Å; V549-K1041 HydrophobicContact CB-CG 4.05Å; V549-K1041 HydrophobicContact CG1-CG 3.88Å; V549-V1044 HydrophobicContact CG1-CG2 3.93Å; V549-V1044 HydrophobicContact CG2-CB 4.06Å; V549-V1044 HydrophobicContact CG2-CG1 4.48Å; V549-V1044 HydrophobicContact CG2-CG2 3.82Å; V549-C1052 HydrophobicContact CG1-CB 3.99Å
550	R	86.1	Confident	78.3	Confident	160 Å²	160	63.4 Å²	63.4	60%	0.604	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.6	174.7	-68.6	-174.2	175.5	-155.4	-5.1	109.6	Y552 G1050 I1051 C1052	R550-Y552 HydrophobicContact CB-CE2 4.4Å; R550-G1050 PolarHBondContact N-O 3.44Å; R550-G1050 VanDerWaalsContact N-O 3.16Å; R550-I1051 HydrophobicContact CB-CG1 4.45Å; R550-I1051 CarbonylContact O-C 3.59Å; R550-I1051 WeakPolarHBondContact O-CA 3.31Å; R550-C1052 PolarHBondContact O-N 3.08Å
551	V	87.2	Confident	78.4	Confident	42 Å²	42	63.9 Å²	63.9	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.3	179.6	-176.6	0	0	0	0	108.9	Y553 K1041 C1052 R1054	V551-Y553 HydrophobicContact CG1-CE2 4.11Å; V551-K1041 HydrophobicContact CG2-CD 3.61Å; V551-K1041 HydrophobicContact CG2-CG 4.37Å; V551-C1052 WeakPolarHBondContact CA-O 3.44Å; V551-C1052 HydrophobicContact CG2-CB 4.42Å; V551-R1054 HydrophobicContact CG1-CG 4.24Å
552	Y	91.1	Very high	78.7	Confident	81 Å²	81	66.5 Å²	66.5	32%	0.318	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.4	171.9	-65.1	-75.4	0	0	0	109	R550 D556 I1051 C1052 F1053 R1054	R550-Y552 HydrophobicContact CB-CE2 4.4Å; Y552-D556 HydrophobicContact CD1-CB 3.96Å; Y552-I1051 HydrophobicContact CD2-CG2 3.46Å; Y552-I1051 VanDerWaalsContact CD2-CG2 3.46Å; Y552-I1051 HydrophobicContact CE2-CD1 4.5Å; Y552-I1051 HydrophobicContact CE2-CG2 3.55Å; Y552-C1052 PolarHBondContact N-O 3.46Å; Y552-F1053 HydrophobicContact CD2-CD1 4.06Å; Y552-F1053 AromaticContact CD2-CE1 3.71Å; Y552-F1053 HydrophobicContact CD2-CE1 3.71Å; Y552-F1053 HydrophobicContact CD2-CZ 4.39Å; Y552-F1053 HydrophobicContact CE2-CE1 4.42Å; Y552-F1053 HydrophobicContact CG-CD1 4.39Å; Y552-F1053 HydrophobicContact CG-CE1 4.29Å; Y552-R1054 PolarHBondContact O-N 3.23Å
553	Y	89.3	Confident	79.2	Confident	46 Å²	46	67.6 Å²	67.6	18%	0.18	32%	0.316	C	S	.	.			trans	-99.7	176.4	178.7	-66.3	-84.4	0	0	0	111.6	V551 E555 D556 I557 R1054 Y1061	V551-Y553 HydrophobicContact CG1-CE2 4.11Å; Y553-E555 VanDerWaalsContact C-N 3.28Å; Y553-E555 PolarHBondContact O-N 3.46Å; Y553-D556 PolarHBondContact N-OD2 2.97Å; Y553-D556 PolarHBondContact O-N 3.48Å; Y553-I557 VanDerWaalsContact O-CG1 3.31Å; Y553-I557 WeakPolarHBondContact O-CG1 3.38Å; Y553-I557 PolarHBondContact O-N 3.43Å; Y553-R1054 CarbonylContact C-O 3.19Å; Y553-R1054 HydrophobicContact CD1-CB 4.13Å; Y553-R1054 PolarHBondContact OH-NH1 3.29Å; Y553-Y1061 HydrophobicContact CE1-CD1 4.3Å; Y553-Y1061 HydrophobicContact CE1-CG 4.02Å; Y553-Y1061 WeakPolarHBondContact OH-CD1 3.26Å
554	L	87	Confident	79.9	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-52	-43.6	-177.7	177.2	61	0	0	0	113	D556 I557 L558 L892 Y895 L912 R1054 Y1056	L554-D556 PolarHBondContact O-N 3.05Å; L554-I557 PolarHBondContact O-N 2.95Å; L554-L558 HydrophobicContact CD1-CD1 4.09Å; L554-L558 HydrophobicContact CD1-CG 4.06Å; L554-L558 HydrophobicContact CG-CD1 4.02Å; L554-L558 HydrophobicContact CG-CG 4.43Å; L554-L558 WeakPolarHBondContact O-CB 3.41Å; L554-L558 VanDerWaalsContact O-CG 3.26Å; L554-L558 WeakPolarHBondContact O-CG 3.41Å; L554-L558 PolarHBondContact O-N 3.26Å; L554-L892 HydrophobicContact CB-CD1 4.48Å; L554-L892 HydrophobicContact CD2-CD1 3.67Å; L554-L892 HydrophobicContact CG-CD1 3.88Å; L554-Y895 HydrophobicContact CD1-CD1 4.48Å; L554-Y895 HydrophobicContact CD1-CE1 3.99Å; L554-Y895 HydrophobicContact CD2-CD1 4.01Å; L554-Y895 HydrophobicContact CD2-CE1 3.65Å; L554-Y895 HydrophobicContact CG-CE1 4.31Å; L554-L912 HydrophobicContact CD1-CD2 3.64Å; L554-R1054 PolarHBondContact N-O 2.76Å; L554-R1054 VanDerWaalsContact N-O 3.11Å; L554-Y1056 VanDerWaalsContact CB-C 3.48Å; L554-Y1056 PolarHBondContact N-O 3.07Å; L554-Y1056 VanDerWaalsContact N-O 3.09Å
555	E	81.3	Confident	80.9	Confident	23 Å²	23	64.9 Å²	64.9	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-44.2	176.2	50.1	-88.8	-144.6	0	0	113.1	Y553 E559 L892 S1057 S1058	Y553-E555 VanDerWaalsContact C-N 3.28Å; Y553-E555 PolarHBondContact O-N 3.46Å; E555-E559 PolarHBondContact O-N 2.98Å; E555-L892 HydrophobicContact CB-CD2 4.37Å; E555-S1057 VanDerWaalsContact OE2-CA 3.24Å; E555-S1057 WeakPolarHBondContact OE2-CA 3.26Å; E555-S1058 WeakPolarHBondContact OE1-CB 3.2Å; E555-S1058 PolarHBondContact OE1-N 2.9Å; E555-S1058 PolarHBondContact OE1-OG 3.43Å; E555-S1058 PolarHBondContact OE2-N 2.97Å
556	D	87.3	Confident	81.9	Confident	36 Å²	36	60 Å²	60	19%	0.193	30%	0.303	C	S	.	.	H	α-helix	trans	-71.5	-34.6	177.5	-47.3	-54.3	0	0	0	111.2	Y552 Y553 L554 W560 R888	Y552-D556 HydrophobicContact CD1-CB 3.96Å; Y553-D556 PolarHBondContact N-OD2 2.97Å; Y553-D556 PolarHBondContact O-N 3.48Å; L554-D556 PolarHBondContact O-N 3.05Å; D556-W560 WeakPolarHBondContact O-CB 3.36Å; D556-W560 PolarHBondContact O-N 3.26Å; D556-R888 IonicContact OD1-NH1 3.41Å; D556-R888 PolarHBondContact OD1-NH1 2.89Å
557	I	90.8	Very high	82.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-43.7	178.3	-70.7	164.1	0	0	0	110.9	Y553 L554 W560 T561 L912 L916 F1053 R1054 L1055	Y553-I557 VanDerWaalsContact O-CG1 3.31Å; Y553-I557 WeakPolarHBondContact O-CG1 3.38Å; Y553-I557 PolarHBondContact O-N 3.43Å; L554-I557 PolarHBondContact O-N 2.95Å; I557-W560 PolarHBondContact O-N 3.48Å; I557-T561 HydrophobicContact CG2-CG2 4.25Å; I557-T561 VanDerWaalsContact O-CB 3.31Å; I557-T561 WeakPolarHBondContact O-CB 3.49Å; I557-T561 VanDerWaalsContact O-CG2 3.3Å; I557-T561 WeakPolarHBondContact O-CG2 3.22Å; I557-T561 PolarHBondContact O-N 3.45Å; I557-T561 PolarHBondContact O-OG1 2.93Å; I557-L912 HydrophobicContact CG2-CD1 4.17Å; I557-L916 HydrophobicContact CD1-CD2 4.32Å; I557-L916 HydrophobicContact CG2-CD1 4.2Å; I557-L916 HydrophobicContact CG2-CD2 4.21Å; I557-F1053 HydrophobicContact CD1-CB 3.8Å; I557-F1053 HydrophobicContact CD1-CD1 4.28Å; I557-F1053 HydrophobicContact CG1-CB 4.4Å; I557-F1053 HydrophobicContact CG1-CD1 3.96Å; I557-R1054 VanDerWaalsContact CD1-O 3.27Å; I557-R1054 WeakPolarHBondContact CD1-O 3.48Å; I557-L1055 HydrophobicContact CD1-CD2 4.07Å; I557-L1055 HydrophobicContact CG2-CD2 4.15Å
558	L	87.3	Confident	83.5	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-45.6	176.8	-70.9	169.3	0	0	0	110.9	L554 T561 N562 Y563 L891 L892 Y895 L912	L554-L558 HydrophobicContact CD1-CD1 4.09Å; L554-L558 HydrophobicContact CD1-CG 4.06Å; L554-L558 HydrophobicContact CG-CD1 4.02Å; L554-L558 HydrophobicContact CG-CG 4.43Å; L554-L558 WeakPolarHBondContact O-CB 3.41Å; L554-L558 VanDerWaalsContact O-CG 3.26Å; L554-L558 WeakPolarHBondContact O-CG 3.41Å; L554-L558 PolarHBondContact O-N 3.26Å; L558-T561 PolarHBondContact O-OG1 2.82Å; L558-N562 WeakPolarHBondContact O-CA 3.35Å; L558-N562 PolarHBondContact O-N 2.82Å; L558-Y563 HydrophobicContact CD2-CD1 3.76Å; L558-Y563 HydrophobicContact CD2-CG 4.48Å; L558-Y563 PolarHBondContact O-N 3.16Å; L558-L891 HydrophobicContact CB-CD2 3.73Å; L558-L891 HydrophobicContact CB-CG 3.97Å; L558-L892 HydrophobicContact CD1-CD1 4.25Å; L558-Y895 HydrophobicContact CD1-CD1 4.13Å; L558-Y895 HydrophobicContact CD1-CD2 4.45Å; L558-Y895 HydrophobicContact CD1-CG 3.87Å; L558-Y895 HydrophobicContact CD2-CD2 3.88Å; L558-Y895 HydrophobicContact CD2-CE2 4.39Å; L558-Y895 HydrophobicContact CD2-CG 4.14Å; L558-L912 HydrophobicContact CD2-CD1 4.01Å; L558-L912 HydrophobicContact CD2-CD2 4.26Å
559	E	85.7	Confident	84	Confident	66 Å²	66	53.8 Å²	53.8	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-48.1	175.4	-176.9	172.2	-155.1	0	0	111.5	E555 T561 N562 F887 R888 L891	E555-E559 PolarHBondContact O-N 2.98Å; E559-T561 PolarHBondContact O-N 2.95Å; E559-N562 PolarHBondContact O-N 2.95Å; E559-N562 PolarHBondContact O-OD1 3.19Å; E559-F887 HydrophobicContact CG-CE1 4.41Å; E559-R888 HydrophobicContact CB-CG 4.41Å; E559-R888 WeakPolarHBondContact OE2-CD 3.28Å; E559-R888 WeakPolarHBondContact OE2-CG 3.42Å; E559-R888 IonicContact OE2-NE 2.74Å; E559-R888 PolarHBondContact OE2-NE 2.71Å; E559-L891 HydrophobicContact CB-CD2 4.42Å
560	W	88.6	Confident	83.7	Confident	80 Å²	80	57.4 Å²	57.4	30%	0.303	28%	0.279	S	S	.	.	H	α-helix	trans	-68.9	-35.8	-177.8	-177.1	58.5	0	0	0	113.4	D556 I557 L916 K919 I920 S923 L924 F1053	D556-W560 WeakPolarHBondContact O-CB 3.36Å; D556-W560 PolarHBondContact O-N 3.26Å; I557-W560 PolarHBondContact O-N 3.48Å; W560-L916 HydrophobicContact CE3-CD1 4.18Å; W560-L916 HydrophobicContact CZ3-CD1 3.79Å; W560-K919 HydrophobicContact CD2-CG 3.79Å; W560-K919 HydrophobicContact CE3-CB 4.48Å; W560-K919 HydrophobicContact CE3-CG 3.68Å; W560-K919 HydrophobicContact CH2-CB 4.21Å; W560-K919 HydrophobicContact CH2-CG 3.54Å; W560-K919 HydrophobicContact CZ2-CG 3.67Å; W560-K919 HydrophobicContact CZ3-CB 4.07Å; W560-K919 HydrophobicContact CZ3-CG 3.55Å; W560-K919 WeakPolarHBondContact O-CE 3.46Å; W560-K919 PolarHBondContact O-NZ 3.42Å; W560-I920 HydrophobicContact CH2-CG1 4.06Å; W560-I920 HydrophobicContact CZ3-CG1 4.03Å; W560-S923 VanDerWaalsContact CZ2-OG 3.24Å; W560-S923 WeakPolarHBondContact CZ2-OG 3.45Å; W560-L924 HydrophobicContact CH2-CD1 3.57Å; W560-L924 HydrophobicContact CH2-CD2 4.4Å; W560-L924 HydrophobicContact CH2-CG 3.86Å; W560-L924 HydrophobicContact CZ2-CD1 4.06Å; W560-L924 HydrophobicContact CZ2-CD2 4.05Å; W560-L924 HydrophobicContact CZ2-CG 3.95Å; W560-F1053 AromaticContact CE3-CE1 3.97Å; W560-F1053 HydrophobicContact CE3-CE1 3.97Å; W560-F1053 HydrophobicContact CE3-CZ 4.46Å; W560-F1053 HydrophobicContact CH2-CE1 4.38Å; W560-F1053 HydrophobicContact CH2-CZ 4.07Å; W560-F1053 AromaticContact CZ3-CE1 3.64Å; W560-F1053 HydrophobicContact CZ3-CE1 3.64Å; W560-F1053 AromaticContact CZ3-CZ 3.7Å; W560-F1053 HydrophobicContact CZ3-CZ 3.7Å
561	T	88.6	Confident	82.6	Confident	21 Å²	21	50.2 Å²	50.2	13%	0.129	25%	0.254	C	S	.	.	H	α-helix	trans	-78.5	-22.5	176.9	55.3	0	0	0	0	113.1	I557 L558 E559 Y563 L916 K919	I557-T561 HydrophobicContact CG2-CG2 4.25Å; I557-T561 VanDerWaalsContact O-CB 3.31Å; I557-T561 WeakPolarHBondContact O-CB 3.49Å; I557-T561 VanDerWaalsContact O-CG2 3.3Å; I557-T561 WeakPolarHBondContact O-CG2 3.22Å; I557-T561 PolarHBondContact O-N 3.45Å; I557-T561 PolarHBondContact O-OG1 2.93Å; L558-T561 PolarHBondContact O-OG1 2.82Å; E559-T561 PolarHBondContact O-N 2.95Å; T561-Y563 PolarHBondContact O-N 2.71Å; T561-Y563 VanDerWaalsContact OG1-CB 3.29Å; T561-Y563 WeakPolarHBondContact OG1-CB 3.36Å; T561-Y563 PolarHBondContact OG1-N 2.73Å; T561-L916 HydrophobicContact CG2-CB 4.39Å; T561-L916 HydrophobicContact CG2-CD1 4.38Å; T561-K919 HydrophobicContact CG2-CB 4.18Å; T561-K919 HydrophobicContact CG2-CG 4.33Å
562	N	86.6	Confident	81.5	Confident	125 Å²	125	49.9 Å²	49.9	67%	0.668	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	34.5	-161.9	-71.7	-46.8	0	0	0	112.3	L558 E559 S564	L558-N562 WeakPolarHBondContact O-CA 3.35Å; L558-N562 PolarHBondContact O-N 2.82Å; E559-N562 PolarHBondContact O-N 2.95Å; E559-N562 PolarHBondContact O-OD1 3.19Å; N562-S564 PolarHBondContact O-N 3.18Å
563	Y	87.7	Confident	80.2	Confident	29 Å²	29	49.1 Å²	49.1	11%	0.114	26%	0.257	C	S	.	.			trans	-68.3	118.5	178.6	179.1	-101.9	0	0	0	110.5	L558 T561 T565 M568 Y895 D909 D911 L912 A915	L558-Y563 HydrophobicContact CD2-CD1 3.76Å; L558-Y563 HydrophobicContact CD2-CG 4.48Å; L558-Y563 PolarHBondContact O-N 3.16Å; T561-Y563 PolarHBondContact O-N 2.71Å; T561-Y563 VanDerWaalsContact OG1-CB 3.29Å; T561-Y563 WeakPolarHBondContact OG1-CB 3.36Å; T561-Y563 PolarHBondContact OG1-N 2.73Å; Y563-T565 HydrophobicContact CE1-CG2 4.06Å; Y563-T565 HydrophobicContact CE2-CG2 4.38Å; Y563-M568 HydrophobicContact CD1-SD 4.15Å; Y563-M568 HydrophobicContact CE1-SD 4.21Å; Y563-M568 VanDerWaalsContact O-CE 3.29Å; Y563-M568 WeakPolarHBondContact O-CE 3.28Å; Y563-Y895 HydrophobicContact CD1-CD2 4.4Å; Y563-Y895 HydrophobicContact CE1-CD2 4.11Å; Y563-Y895 HydrophobicContact CE1-CE2 4.03Å; Y563-D909 PolarHBondContact OH-OD1 2.95Å; Y563-D909 PolarHBondContact OH-OD2 3.24Å; Y563-D911 HydrophobicContact CE2-CB 4.28Å; Y563-D911 WeakPolarHBondContact OH-CB 3.09Å; Y563-L912 HydrophobicContact CD1-CB 4.18Å; Y563-L912 HydrophobicContact CD1-CD1 3.71Å; Y563-L912 HydrophobicContact CD1-CG 4.41Å; Y563-L912 HydrophobicContact CD2-CB 4.47Å; Y563-L912 HydrophobicContact CD2-CD1 4.24Å; Y563-L912 HydrophobicContact CE1-CB 3.78Å; Y563-L912 HydrophobicContact CE1-CD1 4.21Å; Y563-L912 HydrophobicContact CE1-CG 4.45Å; Y563-L912 HydrophobicContact CE2-CB 4.14Å; Y563-L912 HydrophobicContact CG-CB 4.47Å; Y563-L912 HydrophobicContact CG-CD1 3.68Å; Y563-L912 PolarHBondContact OH-N 2.93Å; Y563-A915 HydrophobicContact CD2-CB 4Å
564	S	81.9	Confident	78.6	Confident	54 Å²	54	50.2 Å²	50.2	38%	0.378	27%	0.271	S	S	.	.			trans	-139.7	144.9	168	-172.9	0	0	0	0	109.7	N562 N569	N562-S564 PolarHBondContact O-N 3.18Å; S564-N569 PolarHBondContact OG-OD1 2.85Å
565	T	82	Confident	77.2	Confident	47 Å²	47	53.7 Å²	53.7	29%	0.288	29%	0.287	S	S	.	.			trans	-110.1	165.2	173.5	63.8	0	0	0	0	109.8	Y563 R567 M568 N569	Y563-T565 HydrophobicContact CE1-CG2 4.06Å; Y563-T565 HydrophobicContact CE2-CG2 4.38Å; T565-R567 PolarHBondContact O-N 3.47Å; T565-M568 HydrophobicContact CG2-SD 4.41Å; T565-M568 PolarHBondContact O-N 3.05Å; T565-M568 WeakPolarHBondContact OG1-CG 3.42Å; T565-M568 PolarHBondContact OG1-N 2.85Å; T565-N569 PolarHBondContact O-N 3.15Å
566	S	78.1	Confident	76	Confident	84 Å²	84	56 Å²	56	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-51.8	-43.4	172.5	-165	0	0	0	0	111.1	M568 N569 E570	S566-M568 PolarHBondContact O-N 3.1Å; S566-N569 CarbonylContact O-C 3.53Å; S566-N569 WeakPolarHBondContact O-CB 3.14Å; S566-N569 PolarHBondContact O-N 3.43Å; S566-N569 VanDerWaalsContact O-N 3.12Å; S566-E570 WeakPolarHBondContact CB-OE1 3.23Å; S566-E570 WeakPolarHBondContact O-CB 3.38Å; S566-E570 VanDerWaalsContact O-CD 3.32Å; S566-E570 VanDerWaalsContact O-CG 3.23Å; S566-E570 WeakPolarHBondContact O-CG 3.44Å; S566-E570 PolarHBondContact O-N 2.82Å; S566-E570 PolarHBondContact OG-OE1 3.47Å
567	R	70.4	Confident	74.4	Confident	114 Å²	114	59.4 Å²	59.4	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-31.7	177.4	-65.6	-175	-173.8	135.8	6	114.5	T565 E570 A571 A898	T565-R567 PolarHBondContact O-N 3.47Å; R567-E570 PolarHBondContact N-OE1 2.99Å; R567-A571 VanDerWaalsContact O-CB 3.22Å; R567-A571 WeakPolarHBondContact O-CB 3.32Å; R567-A571 PolarHBondContact O-N 3Å; R567-A898 HydrophobicContact CB-CB 3.86Å
568	M	75.9	Confident	72.7	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-71	-38.1	173.1	-72.9	170.7	60.9	0	0	111.4	Y563 T565 S566 S572 L891 Y895 A898	Y563-M568 HydrophobicContact CD1-SD 4.15Å; Y563-M568 HydrophobicContact CE1-SD 4.21Å; Y563-M568 VanDerWaalsContact O-CE 3.29Å; Y563-M568 WeakPolarHBondContact O-CE 3.28Å; T565-M568 HydrophobicContact CG2-SD 4.41Å; T565-M568 PolarHBondContact O-N 3.05Å; T565-M568 WeakPolarHBondContact OG1-CG 3.42Å; T565-M568 PolarHBondContact OG1-N 2.85Å; S566-M568 PolarHBondContact O-N 3.1Å; M568-S572 VanDerWaalsContact O-CB 3.27Å; M568-S572 WeakPolarHBondContact O-CB 3.15Å; M568-S572 PolarHBondContact O-N 2.96Å; M568-L891 HydrophobicContact CE-CD1 3.87Å; M568-Y895 HydrophobicContact SD-CD2 3.94Å; M568-A898 HydrophobicContact CB-CB 4.49Å; M568-A898 HydrophobicContact CG-CB 3.75Å
569	N	76.3	Confident	71.1	Confident	91 Å²	91	65 Å²	65	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-44.8	172.9	-63.6	-27	0	0	0	110.9	S564 T565 S566 S572 V573	S564-N569 PolarHBondContact OG-OD1 2.85Å; T565-N569 PolarHBondContact O-N 3.15Å; S566-N569 CarbonylContact O-C 3.53Å; S566-N569 WeakPolarHBondContact O-CB 3.14Å; S566-N569 PolarHBondContact O-N 3.43Å; S566-N569 VanDerWaalsContact O-N 3.12Å; N569-S572 PolarHBondContact O-N 3.23Å; N569-V573 VanDerWaalsContact O-CB 3.31Å; N569-V573 WeakPolarHBondContact O-CB 3.36Å; N569-V573 VanDerWaalsContact O-CG2 3.23Å; N569-V573 WeakPolarHBondContact O-CG2 3.46Å; N569-V573 PolarHBondContact O-N 2.87Å
570	E	68.9	Low	69.8	Low	95 Å²	95	65.8 Å²	65.8	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-57.4	-47.5	172.9	-69.3	151	-138.8	0	0	111.2	S566 R567 S572 V573 C574	S566-E570 WeakPolarHBondContact CB-OE1 3.23Å; S566-E570 WeakPolarHBondContact O-CB 3.38Å; S566-E570 VanDerWaalsContact O-CD 3.32Å; S566-E570 VanDerWaalsContact O-CG 3.23Å; S566-E570 WeakPolarHBondContact O-CG 3.44Å; S566-E570 PolarHBondContact O-N 2.82Å; S566-E570 PolarHBondContact OG-OE1 3.47Å; R567-E570 PolarHBondContact N-OE1 2.99Å; E570-S572 PolarHBondContact O-N 3.16Å; E570-V573 PolarHBondContact O-N 2.83Å; E570-C574 WeakPolarHBondContact O-CB 3.38Å; E570-C574 PolarHBondContact O-N 3.34Å; E570-C574 PolarHBondContact O-SG 2.86Å
571	A	62.6	Low	68.4	Low	10 Å²	10	65.8 Å²	65.8	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-58.9	-48.2	174.4	0	0	0	0	0	111.9	R567 V573 C574 M575 L897	R567-A571 VanDerWaalsContact O-CB 3.22Å; R567-A571 WeakPolarHBondContact O-CB 3.32Å; R567-A571 PolarHBondContact O-N 3Å; A571-V573 VanDerWaalsContact C-N 3.29Å; A571-V573 PolarHBondContact O-N 2.82Å; A571-C574 PolarHBondContact O-N 2.82Å; A571-M575 WeakPolarHBondContact O-CB 3.26Å; A571-M575 WeakPolarHBondContact O-CG 3.47Å; A571-M575 PolarHBondContact O-N 2.89Å; A571-L897 HydrophobicContact CB-CB 4.49Å; A571-L897 HydrophobicContact CB-CD2 3.92Å
572	S	64.7	Low	67.2	Low	34 Å²	34	64.8 Å²	64.8	24%	0.238	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-32.1	177.8	-170.5	0	0	0	0	112.9	M568 N569 E570 S576 K890	M568-S572 VanDerWaalsContact O-CB 3.27Å; M568-S572 WeakPolarHBondContact O-CB 3.15Å; M568-S572 PolarHBondContact O-N 2.96Å; N569-S572 PolarHBondContact O-N 3.23Å; E570-S572 PolarHBondContact O-N 3.16Å; S572-S576 PolarHBondContact O-N 2.97Å; S572-K890 VanDerWaalsContact OG-CE 3.28Å; S572-K890 WeakPolarHBondContact OG-CE 3.45Å; S572-K890 PolarHBondContact OG-NZ 3.32Å
573	V	64.2	Low	66	Low	65 Å²	65	64.4 Å²	64.4	39%	0.394	34%	0.343	S	S	.	.	H	α-helix	trans	-74.8	-46	175	166.1	0	0	0	0	110.8	N569 E570 A571 M575 S576 Q577	N569-V573 VanDerWaalsContact O-CB 3.31Å; N569-V573 WeakPolarHBondContact O-CB 3.36Å; N569-V573 VanDerWaalsContact O-CG2 3.23Å; N569-V573 WeakPolarHBondContact O-CG2 3.46Å; N569-V573 PolarHBondContact O-N 2.87Å; E570-V573 PolarHBondContact O-N 2.83Å; A571-V573 VanDerWaalsContact C-N 3.29Å; A571-V573 PolarHBondContact O-N 2.82Å; V573-M575 VanDerWaalsContact C-N 3.31Å; V573-M575 PolarHBondContact O-N 2.89Å; V573-S576 CarbonylContact O-C 3.48Å; V573-S576 WeakPolarHBondContact O-CA 3.16Å; V573-S576 PolarHBondContact O-N 3.21Å; V573-S576 PolarHBondContact O-OG 2.69Å; V573-Q577 HydrophobicContact CG1-CG 3.97Å; V573-Q577 WeakPolarHBondContact O-CG 3.38Å; V573-Q577 PolarHBondContact O-N 2.99Å
574	C	55.2	Low	65	Low	70 Å²	70	66.1 Å²	66.1	47%	0.473	35%	0.354	S	S	.	.	H	α-helix	trans	-57.4	-44.6	172.8	-72.1	0	0	0	0	111.2	E570 A571 S576 Q577 D578	E570-C574 WeakPolarHBondContact O-CB 3.38Å; E570-C574 PolarHBondContact O-N 3.34Å; E570-C574 PolarHBondContact O-SG 2.86Å; A571-C574 PolarHBondContact O-N 2.82Å; C574-S576 PolarHBondContact O-N 3.47Å; C574-Q577 PolarHBondContact O-N 3.5Å; C574-D578 PolarHBondContact O-N 3.46Å
575	M	56.4	Low	64.5	Low	80 Å²	80	63.6 Å²	63.6	39%	0.394	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-3.6	171.1	-69.3	172.1	74	0	0	114.5	A571 V573	A571-M575 WeakPolarHBondContact O-CB 3.26Å; A571-M575 WeakPolarHBondContact O-CG 3.47Å; A571-M575 PolarHBondContact O-N 2.89Å; V573-M575 VanDerWaalsContact C-N 3.31Å; V573-M575 PolarHBondContact O-N 2.89Å
576	S	57.3	Low	63.9	Low	71 Å²	71	64.8 Å²	64.8	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-119.5	-16.2	171.3	72.5	0	0	0	0	114.1	S572 V573 C574	S572-S576 PolarHBondContact O-N 2.97Å; V573-S576 CarbonylContact O-C 3.48Å; V573-S576 WeakPolarHBondContact O-CA 3.16Å; V573-S576 PolarHBondContact O-N 3.21Å; V573-S576 PolarHBondContact O-OG 2.69Å; C574-S576 PolarHBondContact O-N 3.47Å
577	Q	53.4	Low	63.6	Low	109 Å²	109	67 Å²	67	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-89.3	-13.7	175	-73.6	-176.9	-5.8	0	0	112.6	V573 C574 D579 V580 R581	V573-Q577 HydrophobicContact CG1-CG 3.97Å; V573-Q577 WeakPolarHBondContact O-CG 3.38Å; V573-Q577 PolarHBondContact O-N 2.99Å; C574-Q577 PolarHBondContact O-N 3.5Å; Q577-D579 PolarHBondContact O-N 2.76Å; Q577-D579 VanDerWaalsContact O-N 3.07Å; Q577-V580 PolarHBondContact O-N 2.94Å; Q577-R581 PolarHBondContact O-N 2.83Å
578	D	55.4	Low	63.8	Low	37 Å²	37	62.4 Å²	62.4	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-42.4	-41	169.8	-92.3	-13.3	0	0	0	111.2	C574 V580 R581 C582 R789	C574-D578 PolarHBondContact O-N 3.46Å; D578-V580 PolarHBondContact O-N 3.37Å; D578-R581 PolarHBondContact O-N 3.13Å; D578-C582 VanDerWaalsContact O-CB 3.25Å; D578-C582 WeakPolarHBondContact O-CB 3.47Å; D578-C582 PolarHBondContact O-N 3.07Å; D578-C582 PolarHBondContact O-SG 2.97Å; D578-R789 IonicContact OD2-CZ 2.75Å; D578-R789 IonicContact OD2-NH1 2.87Å; D578-R789 PolarHBondContact OD2-NH1 2.86Å
579	D	53.6	Low	63.7	Low	80 Å²	80	62.4 Å²	62.4	43%	0.428	32%	0.318	S	S	.	.	H	α-helix	trans	-56.5	-49.4	176.5	-85.5	53.5	0	0	0	114.6	Q577 R583 M791	Q577-D579 PolarHBondContact O-N 2.76Å; Q577-D579 VanDerWaalsContact O-N 3.07Å; D579-R583 PolarHBondContact O-N 2.93Å; D579-M791 VanDerWaalsContact CA-SD 3.54Å; D579-M791 HydrophobicContact CB-SD 3.94Å; D579-M791 WeakPolarHBondContact O-CE 3.3Å
580	V	58.7	Low	63.3	Low	83 Å²	83	61.4 Å²	61.4	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-75.2	-40.8	-178.8	-179.2	0	0	0	0	110.2	Q577 D578 C582 R583 N584	Q577-V580 PolarHBondContact O-N 2.94Å; D578-V580 PolarHBondContact O-N 3.37Å; V580-C582 VanDerWaalsContact C-N 3.28Å; V580-C582 PolarHBondContact O-N 3.19Å; V580-R583 PolarHBondContact O-N 3.44Å; V580-R583 VanDerWaalsContact O-N 3.15Å; V580-N584 PolarHBondContact O-N 3.24Å
581	R	59.5	Low	63.1	Low	80 Å²	80	58.6 Å²	58.6	30%	0.302	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-39.6	175.2	-178.6	170.9	-86.8	-144.9	-13.5	111.1	Q577 D578 M585 E728	Q577-R581 PolarHBondContact O-N 2.83Å; D578-R581 PolarHBondContact O-N 3.13Å; R581-M585 VanDerWaalsContact O-CB 3.31Å; R581-M585 WeakPolarHBondContact O-CB 3.4Å; R581-M585 PolarHBondContact O-N 3.17Å; R581-E728 IonicContact CZ-OE2 2.71Å; R581-E728 IonicContact NH1-OE1 2.72Å; R581-E728 IonicContact NH1-OE2 3.47Å; R581-E728 PolarHBondContact NH1-OE2 3.02Å; R581-E728 IonicContact NH2-OE2 3.62Å; R581-E728 PolarHBondContact NH2-OE2 2.92Å
582	C	62.7	Low	62.7	Low	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.9	-32	176.1	-70.7	0	0	0	0	113.6	D578 V580 Y586 A764 P766 M791 Y798 I800	D578-C582 VanDerWaalsContact O-CB 3.25Å; D578-C582 WeakPolarHBondContact O-CB 3.47Å; D578-C582 PolarHBondContact O-N 3.07Å; D578-C582 PolarHBondContact O-SG 2.97Å; V580-C582 VanDerWaalsContact C-N 3.28Å; V580-C582 PolarHBondContact O-N 3.19Å; C582-Y586 PolarHBondContact O-N 2.71Å; C582-A764 WeakPolarHBondContact SG-CB 3.11Å; C582-P766 WeakPolarHBondContact O-CG 3Å; C582-M791 HydrophobicContact CB-CE 3.99Å; C582-M791 HydrophobicContact CB-SD 4.42Å; C582-Y798 HydrophobicContact CB-CE2 4.41Å; C582-Y798 PolarHBondContact O-OH 3.44Å; C582-I800 HydrophobicContact CB-CD1 3.97Å; C582-I800 HydrophobicContact CB-CG1 4.38Å
583	R	62	Low	61.7	Low	117 Å²	117	67.2 Å²	67.2	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-47.3	172.1	-74.8	-179	-169.4	-168	4	111.8	D579 V580 M585 Y586 F587 M791 T793 Y798	D579-R583 PolarHBondContact O-N 2.93Å; V580-R583 PolarHBondContact O-N 3.44Å; V580-R583 VanDerWaalsContact O-N 3.15Å; R583-M585 VanDerWaalsContact C-N 3.28Å; R583-M585 PolarHBondContact O-N 2.88Å; R583-Y586 WeakPolarHBondContact O-CB 3.31Å; R583-Y586 PolarHBondContact O-N 3.18Å; R583-F587 PolarHBondContact O-N 2.89Å; R583-M791 HydrophobicContact CG-CE 4.38Å; R583-T793 HydrophobicContact CG-CG2 3.7Å; R583-Y798 PolarHBondContact N-OH 3.13Å
584	N	65.9	Low	60.3	Low	66 Å²	66	68.8 Å²	68.8	35%	0.353	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-39.4	176.5	-70.8	0.5	0	0	0	110.8	V580 F587 W588 D731	V580-N584 PolarHBondContact O-N 3.24Å; N584-F587 WeakPolarHBondContact O-CB 3.37Å; N584-F587 PolarHBondContact O-N 3.01Å; N584-W588 WeakPolarHBondContact O-CB 3.45Å; N584-W588 PolarHBondContact O-N 3.5Å; N584-D731 WeakPolarHBondContact CB-O 3.41Å; N584-D731 PolarHBondContact ND2-O 2.9Å
585	M	71.3	Confident	59.2	Low	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-42.8	172.8	-176.2	62.2	79.6	0	0	112.7	R581 R583 F587 W588 L589 S732 L734 V763 I765	R581-M585 VanDerWaalsContact O-CB 3.31Å; R581-M585 WeakPolarHBondContact O-CB 3.4Å; R581-M585 PolarHBondContact O-N 3.17Å; R583-M585 VanDerWaalsContact C-N 3.28Å; R583-M585 PolarHBondContact O-N 2.88Å; M585-F587 VanDerWaalsContact C-N 3.26Å; M585-F587 PolarHBondContact O-N 2.87Å; M585-W588 PolarHBondContact O-N 3.24Å; M585-W588 VanDerWaalsContact O-N 3.15Å; M585-L589 HydrophobicContact CG-CD1 4Å; M585-L589 HydrophobicContact CG-CG 4.25Å; M585-L589 VanDerWaalsContact O-CG 3.23Å; M585-L589 WeakPolarHBondContact O-CG 3.42Å; M585-L589 PolarHBondContact O-N 2.64Å; M585-L589 HydrophobicContact SD-CD1 4.41Å; M585-L589 HydrophobicContact SD-CD2 4.29Å; M585-L589 HydrophobicContact SD-CG 4.08Å; M585-S732 WeakPolarHBondContact CE-O 3.49Å; M585-L734 HydrophobicContact CE-CD1 3.73Å; M585-L734 HydrophobicContact CE-CD2 3.98Å; M585-L734 HydrophobicContact CE-CG 3.6Å; M585-L734 HydrophobicContact SD-CD1 4.02Å; M585-V763 HydrophobicContact CE-CB 4.45Å; M585-V763 HydrophobicContact CE-CG1 3.38Å; M585-I765 HydrophobicContact CE-CD1 4.01Å; M585-I765 HydrophobicContact CE-CG1 3.93Å; M585-I765 HydrophobicContact CG-CB 4.22Å; M585-I765 HydrophobicContact CG-CG1 4.24Å; M585-I765 HydrophobicContact CG-CG2 3.82Å; M585-I765 HydrophobicContact SD-CD1 4.35Å; M585-I765 HydrophobicContact SD-CG1 4.38Å; M585-I765 HydrophobicContact SD-CG2 4.28Å
586	Y	69.2	Low	58	Low	72 Å²	72	76 Å²	76	28%	0.282	38%	0.379	S	S	.	.	H	α-helix	trans	-52.4	-47.8	173.5	-175.9	-75.3	0	0	0	110.6	C582 R583 L589 T590 P766 P769 E796 Y798	C582-Y586 PolarHBondContact O-N 2.71Å; R583-Y586 WeakPolarHBondContact O-CB 3.31Å; R583-Y586 PolarHBondContact O-N 3.18Å; Y586-L589 PolarHBondContact O-N 3.22Å; Y586-T590 HydrophobicContact CD1-CG2 3.99Å; Y586-T590 HydrophobicContact CE1-CG2 3.84Å; Y586-T590 WeakPolarHBondContact O-CB 3.39Å; Y586-T590 VanDerWaalsContact O-CG2 3.31Å; Y586-T590 WeakPolarHBondContact O-CG2 3.25Å; Y586-T590 PolarHBondContact O-N 3.23Å; Y586-T590 PolarHBondContact O-OG1 3.43Å; Y586-P766 HydrophobicContact CD2-CB 4.38Å; Y586-P769 HydrophobicContact CD2-CG 3.66Å; Y586-P769 HydrophobicContact CE2-CG 3.8Å; Y586-P769 HydrophobicContact CG-CG 4.31Å; Y586-E796 PolarHBondContact OH-OE2 3.39Å; Y586-Y798 AromaticContact CD2-CD1 3.72Å; Y586-Y798 HydrophobicContact CD2-CD1 3.72Å; Y586-Y798 AromaticContact CD2-CE1 3.51Å; Y586-Y798 HydrophobicContact CD2-CE1 3.51Å; Y586-Y798 AromaticContact CE2-CD1 3.93Å; Y586-Y798 HydrophobicContact CE2-CD1 3.93Å; Y586-Y798 HydrophobicContact CE2-CE1 4.09Å; Y586-Y798 HydrophobicContact CG-CE1 4.29Å
587	F	71.2	Confident	56.7	Low	132 Å²	132	84.1 Å²	84.1	58%	0.579	40%	0.401	S	S	*	.	H	α-helix	trans	-63.4	-44	177.9	-170.2	-88.6	0	0	0	112.3	R583 N584 M585 L589 T590 T591	R583-F587 PolarHBondContact O-N 2.89Å; N584-F587 WeakPolarHBondContact O-CB 3.37Å; N584-F587 PolarHBondContact O-N 3.01Å; M585-F587 VanDerWaalsContact C-N 3.26Å; M585-F587 PolarHBondContact O-N 2.87Å; F587-L589 VanDerWaalsContact C-N 3.29Å; F587-L589 PolarHBondContact O-N 3.31Å; F587-T590 PolarHBondContact O-N 3.2Å; F587-T590 PolarHBondContact O-OG1 3.48Å; F587-T591 HydrophobicContact CD1-CG2 4.07Å; F587-T591 HydrophobicContact CD2-CG2 3.79Å; F587-T591 HydrophobicContact CE1-CG2 3.91Å; F587-T591 HydrophobicContact CE2-CG2 3.63Å; F587-T591 HydrophobicContact CG-CG2 4.02Å; F587-T591 HydrophobicContact CZ-CG2 3.7Å; F587-T591 WeakPolarHBondContact O-CB 3.31Å; F587-T591 PolarHBondContact O-N 3.19Å; F587-T591 PolarHBondContact O-OG1 3.03Å
588	W	76.4	Confident	55.5	Low	16 Å²	16	86.7 Å²	86.7	6%	0.061	42%	0.416	C	S	.	.	H	α-helix	trans	-67.3	-23.8	-178.5	-143.1	84.2	0	0	0	113.9	N584 M585 W675 W678 H729 L734 V739	N584-W588 WeakPolarHBondContact O-CB 3.45Å; N584-W588 PolarHBondContact O-N 3.5Å; M585-W588 PolarHBondContact O-N 3.24Å; M585-W588 VanDerWaalsContact O-N 3.15Å; W588-W675 AromaticContact CD1-CZ3 3.84Å; W588-W675 HydrophobicContact CD2-CE3 4.01Å; W588-W675 AromaticContact CD2-CZ3 3.79Å; W588-W675 HydrophobicContact CD2-CZ3 3.79Å; W588-W675 AromaticContact CE2-CE3 3.41Å; W588-W675 VanDerWaalsContact CE2-CE3 3.41Å; W588-W675 AromaticContact CE2-CZ3 3.71Å; W588-W675 HydrophobicContact CE3-CZ3 4.42Å; W588-W675 HydrophobicContact CG-CE3 4.4Å; W588-W675 AromaticContact CG-CZ3 3.94Å; W588-W675 HydrophobicContact CG-CZ3 3.94Å; W588-W675 HydrophobicContact CH2-CE3 4.42Å; W588-W675 AromaticContact CZ2-CE3 3.67Å; W588-W675 HydrophobicContact CZ2-CE3 3.67Å; W588-W675 HydrophobicContact CZ2-CZ3 4.3Å; W588-W675 AromaticContact NE1-CE3 3.4Å; W588-W675 AromaticContact NE1-CZ3 3.69Å; W588-W678 AromaticContact CE3-CD1 3.85Å; W588-W678 HydrophobicContact CE3-CD2 4.02Å; W588-W678 AromaticContact CE3-CE2 3.7Å; W588-W678 HydrophobicContact CE3-CG 4.12Å; W588-W678 HydrophobicContact CE3-CZ2 4.17Å; W588-W678 AromaticContact CE3-NE1 3.58Å; W588-W678 HydrophobicContact CH2-CB 3.65Å; W588-W678 AromaticContact CH2-CD1 3.97Å; W588-W678 AromaticContact CH2-CD2 3.81Å; W588-W678 HydrophobicContact CH2-CD2 3.81Å; W588-W678 HydrophobicContact CH2-CE3 4.17Å; W588-W678 AromaticContact CH2-CG 3.57Å; W588-W678 HydrophobicContact CH2-CG 3.57Å; W588-W678 HydrophobicContact CZ2-CB 4.38Å; W588-W678 HydrophobicContact CZ2-CG 4.44Å; W588-W678 HydrophobicContact CZ3-CB 4Å; W588-W678 AromaticContact CZ3-CD1 3.57Å; W588-W678 AromaticContact CZ3-CD2 3.2Å; W588-W678 HydrophobicContact CZ3-CD2 3.2Å; W588-W678 AromaticContact CZ3-CE2 3.38Å; W588-W678 AromaticContact CZ3-CE3 3.63Å; W588-W678 HydrophobicContact CZ3-CE3 3.63Å; W588-W678 AromaticContact CZ3-CG 3.37Å; W588-W678 HydrophobicContact CZ3-CG 3.37Å; W588-W678 HydrophobicContact CZ3-CH2 4.33Å; W588-W678 AromaticContact CZ3-CZ2 3.98Å; W588-W678 HydrophobicContact CZ3-CZ2 3.98Å; W588-W678 HydrophobicContact CZ3-CZ3 4.16Å; W588-W678 AromaticContact CZ3-NE1 3.57Å; W588-W678 PolarHBondContact O-NE1 2.82Å; W588-H729 AromaticContact CZ2-CG 3.96Å; W588-H729 AromaticContact NE1-CE1 3.4Å; W588-H729 PolarHBondContact NE1-CE1 2.79Å; W588-H729 AromaticContact NE1-ND1 3.69Å; W588-H729 AromaticContact NE1-NE2 3.85Å; W588-L734 HydrophobicContact CE3-CD1 3.6Å; W588-L734 HydrophobicContact CH2-CD1 4.02Å; W588-L734 HydrophobicContact CZ3-CD1 3.23Å; W588-V739 HydrophobicContact CH2-CG2 4.11Å
589	L	72	Confident	54.1	Low	3 Å²	3	89.7 Å²	89.7	2%	0.016	44%	0.44	C	S	.	.	H	α-helix	trans	-85.7	-42.1	172.1	-63	165.6	0	0	0	112.7	M585 Y586 F587 W678 I765 P769 L770 L773	M585-L589 HydrophobicContact CG-CD1 4Å; M585-L589 HydrophobicContact CG-CG 4.25Å; M585-L589 VanDerWaalsContact O-CG 3.23Å; M585-L589 WeakPolarHBondContact O-CG 3.42Å; M585-L589 PolarHBondContact O-N 2.64Å; M585-L589 HydrophobicContact SD-CD1 4.41Å; M585-L589 HydrophobicContact SD-CD2 4.29Å; M585-L589 HydrophobicContact SD-CG 4.08Å; Y586-L589 PolarHBondContact O-N 3.22Å; F587-L589 VanDerWaalsContact C-N 3.29Å; F587-L589 PolarHBondContact O-N 3.31Å; L589-W678 HydrophobicContact CD2-CZ2 4.27Å; L589-I765 HydrophobicContact CD1-CG2 3.53Å; L589-I765 HydrophobicContact CD2-CG2 4.23Å; L589-I765 HydrophobicContact CG-CG2 4.39Å; L589-P769 HydrophobicContact CB-CB 4.05Å; L589-P769 HydrophobicContact CD1-CB 3.84Å; L589-L770 HydrophobicContact CD2-CD1 4.27Å; L589-L773 HydrophobicContact CB-CD1 4.06Å; L589-L773 HydrophobicContact CD2-CD1 3.82Å
590	T	69.4	Low	52.9	Low	69 Å²	69	91 Å²	91	42%	0.423	45%	0.454	S	S	.	.	H	α-helix	trans	-85.5	-32.3	-169.3	52	0	0	0	0	113.2	Y586 F587 P769	Y586-T590 HydrophobicContact CD1-CG2 3.99Å; Y586-T590 HydrophobicContact CE1-CG2 3.84Å; Y586-T590 WeakPolarHBondContact O-CB 3.39Å; Y586-T590 VanDerWaalsContact O-CG2 3.31Å; Y586-T590 WeakPolarHBondContact O-CG2 3.25Å; Y586-T590 PolarHBondContact O-N 3.23Å; Y586-T590 PolarHBondContact O-OG1 3.43Å; F587-T590 PolarHBondContact O-N 3.2Å; F587-T590 PolarHBondContact O-OG1 3.48Å; T590-P769 HydrophobicContact CG2-CB 3.84Å; T590-P769 HydrophobicContact CG2-CG 4.08Å
591	T	64.6	Low	51.3	Low	37 Å²	37	95.4 Å²	95.4	23%	0.227	47%	0.469	C	S	.	.			trans	-84.9	136.5	-176.8	60.8	0	0	0	0	112.9	F587	F587-T591 HydrophobicContact CD1-CG2 4.07Å; F587-T591 HydrophobicContact CD2-CG2 3.79Å; F587-T591 HydrophobicContact CE1-CG2 3.91Å; F587-T591 HydrophobicContact CE2-CG2 3.63Å; F587-T591 HydrophobicContact CG-CG2 4.02Å; F587-T591 HydrophobicContact CZ-CG2 3.7Å; F587-T591 WeakPolarHBondContact O-CB 3.31Å; F587-T591 PolarHBondContact O-N 3.19Å; F587-T591 PolarHBondContact O-OG1 3.03Å
592	K	53.7	Low	49.8	Very low	86 Å²	86	98.8 Å²	98.8	37%	0.374	48%	0.483	S	S	.	.			trans	-108.7	144.5	153.5	-55.8	-167.2	-179.1	-160.1	0	106.1	S594 L683	K592-S594 PolarHBondContact O-N 3.36Å; K592-L683 PolarHBondContact NZ-O 3.39Å
593	E	44.4	Very low	48.1	Very low	139 Å²	139	106.2 Å²	106.2	65%	0.65	52%	0.518	S	S	*	.	S	Bend	trans	-70.1	79.7	-179.7	-79.7	-179.8	111.6	0	0	112	W675	E593-W675 HydrophobicContact CG-CZ2 4.1Å; E593-W675 PolarHBondContact OE2-NE1 3.49Å
594	S	33.7	Very low	46.5	Very low	97 Å²	97	107.1 Å²	107.1	68%	0.678	53%	0.53	S	S	*	.	S	Bend	trans	-155.1	31.1	171.1	74.4	0	0	0	0	113.6	K592	K592-S594 PolarHBondContact O-N 3.36Å
595	D	32.8	Very low	44.5	Very low	131 Å²	131	113.3 Å²	113.3	70%	0.701	55%	0.55	S	S	*	.	S	Bend	trans	-169.1	121.8	144.7	-108.9	-38.6	0	0	0	114.7
596	K	31.8	Very low	42.6	Very low	171 Å²	171	118.4 Å²	118.4	74%	0.743	58%	0.581	S	S	*	*			trans	25.2	109	150.2	-59.5	175.2	-164.4	87.8	0	120.5
597	Y	28.3	Very low	40.7	Very low	241 Å²	241	120.5 Å²	120.5	95%	0.945	60%	0.601	S	S	*	*			trans	-0.6	116.2	140.5	-78.4	-102	0	0	0	117.7
598	I	28.8	Very low	38.7	Very low	163 Å²	163	122.4 Å²	122.4	84%	0.836	62%	0.617	S	S	*	*			trans	-136.9	126.8	151.4	-60.1	-177.2	0	0	0	108.6
599	S	26	Very low	36.6	Very low	101 Å²	101	127 Å²	127	71%	0.706	65%	0.652	S	S	*	*			trans	-96.2	147.9	177.6	52.5	0	0	0	0	112.2
600	C	27.8	Very low	34.6	Very low	106 Å²	106	130 Å²	130	72%	0.716	68%	0.684	S	S	*	*			trans	-146.1	87.8	173.2	-102.2	0	0	0	0	112.3
601	E	26.5	Very low	32.6	Very low	176 Å²	176	134.2 Å²	134.2	82%	0.822	70%	0.704	S	S	*	*			trans	-77.9	119.3	161.9	-54.1	161	104.3	0	0	109.3
602	Y	27.6	Very low	31	Very low	151 Å²	151	141.8 Å²	141.8	59%	0.592	73%	0.734	S	S	*	*			trans	-155.3	115.7	160.4	-78.9	-72.8	0	0	0	110.8	K617	Y602-K617 HydrophobicContact CE1-CD 4.41Å; Y602-K617 HydrophobicContact CE1-CG 4.11Å; Y602-K617 HydrophobicContact CE2-CD 4.05Å; Y602-K617 VanDerWaalsContact CE2-CE 3.45Å
603	H	26.2	Very low	29.7	Very low	157 Å²	157	143.6 Å²	143.6	73%	0.727	75%	0.752	S	S	*	*			trans	-114.1	142.4	165.1	-80.7	-94.4	0	0	0	109.4	Y605	H603-Y605 HydrophobicContact CB-CE2 4.36Å
604	I	28.5	Very low	28.9	Very low	136 Å²	136	144 Å²	144	70%	0.697	76%	0.758	S	S	*	*			trans	-137.5	131.6	169.1	-60.9	-179.1	0	0	0	108.7
605	Y	25.2	Very low	28.4	Very low	196 Å²	196	147 Å²	147	77%	0.769	76%	0.764	S	S	*	*			trans	-122.6	136.2	171.9	-56.3	-101.3	0	0	0	109.2	H603	H603-Y605 HydrophobicContact CB-CE2 4.36Å
606	T	29.9	Very low	28.2	Very low	107 Å²	107	147.2 Å²	147.2	66%	0.656	77%	0.769	S	S	*	*			trans	-153.8	101.6	161.9	45.2	0	0	0	0	107.6
607	T	30.2	Very low	28	Very low	116 Å²	116	145.5 Å²	145.5	71%	0.712	76%	0.762	S	S	*	*				72.5	134.4	78.7	60.7	0	0	0	0	114.4	S609	T607-S609 PolarHBondContact O-N 3.4Å
608	D	28.7	Very low	27.9	Very low	171 Å²	171	140.1 Å²	140.1	91%	0.914	75%	0.75	S	S	*	*	S	Bend	trans	-68.7	91.5	-167.7	-56.7	-75.3	0	0	0	114.9
609	S	32.4	Very low	27.8	Very low	113 Å²	113	141 Å²	141	79%	0.79	75%	0.747	S	S	*	*			trans	-168.2	150.2	148	32.7	0	0	0	0	110.3	T607	T607-S609 PolarHBondContact O-N 3.4Å
610	G	29.2	Very low	27.8	Very low	67 Å²	67	141.9 Å²	141.9	69%	0.691	75%	0.748	S	S	*	*			trans	-73.9	152.9	-172.7	0	0	0	0	0	114.8
611	N	28.6	Very low	27.7	Very low	156 Å²	156	146 Å²	146	83%	0.834	76%	0.755	S	S	*	*	S	Bend	trans	72.5	68.4	157.2	-53.6	-31.6	0	0	0	118.9
612	K	30.7	Very low	27.7	Very low	196 Å²	196	145 Å²	145	85%	0.852	76%	0.755	S	S	*	*				170.7	133.9	120.2	-92.2	156	-175.6	175.6	0	112.2
613	V	26.7	Very low	27.8	Very low	124 Å²	124	143.5 Å²	143.5	75%	0.752	76%	0.761	S	S	*	*			trans	-112.1	123.4	167	178.7	0	0	0	0	108.4
614	N	26.9	Very low	27.9	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	77%	0.766	S	S	*	*			trans	-127.8	131.7	171.6	-84.5	-12.9	0	0	0	108.6
615	M	24.7	Very low	27.8	Very low	162 Å²	162	140.6 Å²	140.6	80%	0.798	77%	0.766	S	S	*	*			trans	-100.8	121.5	179.2	-67.4	168.3	60.4	0	0	110.9
616	V	27.5	Very low	27.9	Very low	134 Å²	134	135.5 Å²	135.5	81%	0.812	76%	0.759	S	S	*	*			trans	-143	134.7	168.9	-174.4	0	0	0	0	109.5
617	K	27.5	Very low	27.8	Very low	135 Å²	135	137.3 Å²	137.3	59%	0.587	77%	0.765	S	S	*	*			trans	-98.6	129.1	167.1	-61	175	-179.9	177.7	0	108.9	Y602	Y602-K617 HydrophobicContact CE1-CD 4.41Å; Y602-K617 HydrophobicContact CE1-CG 4.11Å; Y602-K617 HydrophobicContact CE2-CD 4.05Å; Y602-K617 VanDerWaalsContact CE2-CE 3.45Å
618	D	26.2	Very low	27.7	Very low	129 Å²	129	136 Å²	136	69%	0.69	77%	0.765	S	S	*	*			trans	-158.1	173	140.4	-136.2	-26.8	0	0	0	114.1
619	K	26.3	Very low	27.7	Very low	180 Å²	180	130.1 Å²	130.1	78%	0.783	74%	0.736	S	S	*	*			trans	-88.3	130.2	-162.4	-54.3	158	-152.3	78.5	0	112.5
620	T	27.7	Very low	27.5	Very low	120 Å²	120	129.7 Å²	129.7	74%	0.736	73%	0.731	S	S	*	*			trans	-142.6	124.7	168.4	43.9	0	0	0	0	112.6
621	F	25.4	Very low	27.5	Very low	194 Å²	194	130.5 Å²	130.5	85%	0.851	72%	0.715	S	S	*	*			trans	52.9	117.1	155	-68.7	-102.9	0	0	0	118.6
622	N	25.9	Very low	27.4	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	71%	0.709	S	S	*	*			cis	70.4	141.1	44.5	-80.9	-25.1	0	0	0	117.8
623	T	29.4	Very low	27.1	Very low	120 Å²	120	128.4 Å²	128.4	74%	0.736	70%	0.704	S	S	*	*			trans	82.5	117.1	162.5	46	0	0	0	0	122
624	S	27.9	Very low	27	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	71%	0.705	S	S	*	*			trans	69.4	136.6	159.8	74.2	0	0	0	0	117.3
625	V	26.6	Very low	26.9	Very low	114 Å²	114	126.9 Å²	126.9	69%	0.691	70%	0.703	S	S	*	*			cis	-140.4	107.2	5.4	174.8	0	0	0	0	106.3
626	S	26.9	Very low	27	Very low	90 Å²	90	127.6 Å²	127.6	63%	0.629	70%	0.702	S	S	*	*				60.1	118.6	82.1	72.4	0	0	0	0	117.4
627	N	28.1	Very low	26.9	Very low	144 Å²	144	125 Å²	125	77%	0.77	69%	0.688	S	S	*	*			trans	77.5	147.9	-176.5	-44.3	-26.6	0	0	0	113.6
628	A	28.8	Very low	26.8	Very low	88 Å²	88	128 Å²	128	73%	0.727	70%	0.704	S	S	*	*			cis	-123.4	154.6	-2	0	0	0	0	0	112
629	V	27.5	Very low	27	Very low	48 Å²	48	125.9 Å²	125.9	29%	0.291	71%	0.712	S	S	.	*				-164.2	108.6	-115.5	134	0	0	0	0	111.2	P1798 F1799 K1800	V629-P1798 VanDerWaalsContact CG2-CD 3.45Å; V629-F1799 VanDerWaalsContact CA-N 3.3Å; V629-F1799 HydrophobicContact CG1-CB 4.19Å; V629-F1799 VanDerWaalsContact CG1-N 3.29Å; V629-F1799 WeakPolarHBondContact CG1-O 3.25Å; V629-F1799 CarbonylContact O-C 3.48Å; V629-K1800 VanDerWaalsContact C-N 3.32Å; V629-K1800 CarbonylContact O-C 3.56Å; V629-K1800 VanDerWaalsContact O-C 3.31Å; V629-K1800 PolarHBondContact O-N 2.83Å
630	P	30.1	Very low	27	Very low	105 Å²	105	124.7 Å²	124.7	68%	0.682	71%	0.71	S	S	*	*			trans	-124	117.6	-177.1	14.1	9.5	0	0	0	118.8	P1798 F1799 K1800	P630-P1798 CarbonylContact C-O 3.59Å; P630-P1798 VanDerWaalsContact CD-C 3.47Å; P630-P1798 WeakPolarHBondContact CD-O 3.04Å; P630-P1798 VanDerWaalsContact N-C 3.33Å; P630-P1798 VanDerWaalsContact N-O 3.13Å; P630-F1799 VanDerWaalsContact N-N 3.19Å; P630-K1800 VanDerWaalsContact C-N 3.3Å
631	K	27.9	Very low	26.8	Very low	84 Å²	84	123.6 Å²	123.6	37%	0.365	71%	0.713	S	S	.	*			trans	-117.8	109.4	-169	-169	175.4	-125.6	147.8	0	113.9	F1799 K1800	K631-F1799 HydrophobicContact CB-CB 3.73Å; K631-F1799 HydrophobicContact CB-CD1 3.56Å; K631-F1799 HydrophobicContact CB-CG 4Å; K631-F1799 HydrophobicContact CD-CB 3.93Å; K631-F1799 HydrophobicContact CD-CD1 3.74Å; K631-F1799 HydrophobicContact CD-CD2 4.43Å; K631-F1799 HydrophobicContact CD-CE1 4.26Å; K631-F1799 HydrophobicContact CD-CG 3.82Å; K631-F1799 HydrophobicContact CG-CB 4.17Å; K631-F1799 HydrophobicContact CG-CD1 3.4Å; K631-F1799 VanDerWaalsContact CG-CD1 3.4Å; K631-F1799 HydrophobicContact CG-CE1 3.94Å; K631-F1799 HydrophobicContact CG-CG 3.97Å; K631-K1800 HydrophobicContact CB-CB 4.36Å; K631-K1800 HydrophobicContact CB-CG 3.49Å; K631-K1800 VanDerWaalsContact CB-CG 3.49Å; K631-K1800 HydrophobicContact CD-CD 4.11Å; K631-K1800 HydrophobicContact CD-CG 3.82Å; K631-K1800 HydrophobicContact CG-CG 4.22Å
632	K	26.6	Very low	27	Very low	163 Å²	163	120.3 Å²	120.3	71%	0.709	71%	0.708	S	S	*	*			trans	-159.3	120.4	155	-121	163.9	176.9	169.2	0	109.5	N1802	K632-N1802 WeakPolarHBondContact CE-OD1 3.07Å; K632-N1802 PolarHBondContact NZ-OD1 3.39Å
633	L	23.8	Very low	27	Very low	144 Å²	144	117.9 Å²	117.9	75%	0.754	70%	0.701	S	S	*	*			trans	-66.5	134.2	166	-77.8	74	0	0	0	107.7	V635	L633-V635 VanDerWaalsContact C-N 3.28Å; L633-V635 PolarHBondContact O-N 2.93Å
634	P	25.4	Very low	26.9	Very low	119 Å²	119	119.2 Å²	119.2	77%	0.773	70%	0.698	S	S	*	*			trans	-67.7	94.4	156.9	-9.9	26.6	0	0	0	107.3	F636	P634-F636 PolarHBondContact O-N 2.92Å
635	V	26	Very low	27	Very low	120 Å²	120	118.8 Å²	118.8	73%	0.727	69%	0.686	S	S	*	*			trans	-64.1	116.4	163.6	174.5	0	0	0	0	106.3	L633 P637	L633-V635 VanDerWaalsContact C-N 3.28Å; L633-V635 PolarHBondContact O-N 2.93Å; V635-P637 WeakPolarHBondContact O-CD 3.39Å
636	F	25.2	Very low	27.1	Very low	177 Å²	177	120.2 Å²	120.2	78%	0.776	68%	0.683	S	S	*	*			trans	-65.3	121.9	163.9	-91.9	-83	0	0	0	107.8	P634 E638	P634-F636 PolarHBondContact O-N 2.92Å; F636-E638 PolarHBondContact O-N 2.82Å; F636-E638 VanDerWaalsContact O-N 3.07Å
637	P	26.6	Very low	27.2	Very low	80 Å²	80	119 Å²	119	52%	0.519	67%	0.674	S	S	.	*			trans	-75.4	100.1	177.9	29.9	-32.5	0	0	0	109.5	V635 G639	V635-P637 WeakPolarHBondContact O-CD 3.39Å; P637-G639 PolarHBondContact O-N 2.89Å
638	E	25.9	Very low	27.4	Very low	198 Å²	198	117 Å²	117	93%	0.925	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	123	163.1	-65.5	-175.6	145.4	0	0	108.9	F636	F636-E638 PolarHBondContact O-N 2.82Å; F636-E638 VanDerWaalsContact O-N 3.07Å
639	G	28.6	Very low	27.8	Very low	84 Å²	84	118.9 Å²	118.9	87%	0.866	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.1	8.7	173.5	0	0	0	0	0	117.7	P637	P637-G639 PolarHBondContact O-N 2.89Å
640	Q	26.1	Very low	28.1	Very low	156 Å²	156	122.9 Å²	122.9	73%	0.729	68%	0.676	S	S	*	*			trans	-111.6	119.3	164.4	-71.3	-167.2	-10.6	0	0	111.7	V642	Q640-V642 PolarHBondContact O-N 2.96Å
641	A	25.4	Very low	28.3	Very low	97 Å²	97	124.3 Å²	124.3	80%	0.802	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-65.6	120.4	175.1	0	0	0	0	0	109.9	P643	A641-P643 VanDerWaalsContact O-CD 3.25Å; A641-P643 WeakPolarHBondContact O-CD 3.37Å
642	V	28.3	Very low	28.4	Very low	125 Å²	125	126.6 Å²	126.6	76%	0.758	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-63.7	116.9	168.8	179.4	0	0	0	0	107.1	Q640	Q640-V642 PolarHBondContact O-N 2.96Å
643	P	27.2	Very low	28.5	Very low	102 Å²	102	125.9 Å²	125.9	66%	0.662	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-62.4	155.4	-176.3	-22.7	34.4	0	0	0	111.6	A641 L645	A641-P643 VanDerWaalsContact O-CD 3.25Å; A641-P643 WeakPolarHBondContact O-CD 3.37Å; P643-L645 PolarHBondContact O-N 2.92Å
644	H	25.8	Very low	28.9	Very low	148 Å²	148	123.6 Å²	123.6	69%	0.685	69%	0.685	S	S	*	*			trans	-52.1	106.9	174.7	-51.6	-102.1	0	0	0	110.1	K646 E705	H644-K646 VanDerWaalsContact C-N 3.3Å; H644-K646 PolarHBondContact O-N 3.35Å; H644-E705 IonicContact CE1-OE2 3.89Å; H644-E705 PolarHBondContact CE1-OE2 3.09Å
645	L	30.2	Very low	29.3	Very low	108 Å²	108	126.3 Å²	126.3	57%	0.565	69%	0.693	S	S	*	*			trans	-67.5	91.2	172.5	-85.6	162.5	0	0	0	108	P643 S647	P643-L645 PolarHBondContact O-N 2.92Å; L645-S647 PolarHBondContact O-N 2.85Å
646	K	29.9	Very low	29.5	Very low	144 Å²	144	128.1 Å²	128.1	63%	0.626	70%	0.698	S	S	*	*			trans	-63.5	133.2	176.8	-68.2	-170.8	175.8	-172.6	0	109.2	H644 D648 Q649	H644-K646 VanDerWaalsContact C-N 3.3Å; H644-K646 PolarHBondContact O-N 3.35Å; K646-D648 PolarHBondContact O-N 3.49Å; K646-Q649 PolarHBondContact O-N 3.45Å
647	S	28.5	Very low	29.6	Very low	64 Å²	64	122.6 Å²	122.6	45%	0.448	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-44.9	-30.5	180	39.4	0	0	0	0	114.7	L645	L645-S647 PolarHBondContact O-N 2.85Å
648	D	32.9	Very low	29.8	Very low	104 Å²	104	124.4 Å²	124.4	56%	0.556	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-13.9	-161.5	-41.6	-25.4	0	0	0	113.4	K646 N652	K646-D648 PolarHBondContact O-N 3.49Å; D648-N652 PolarHBondContact O-ND2 3.15Å
649	Q	35.2	Very low	30	Very low	126 Å²	126	123.2 Å²	123.2	59%	0.589	69%	0.69	S	S	*	*	S	Bend	trans	-86.1	-24.4	-174.3	-69.6	-166.8	-57.7	0	0	114.5	K646 L651	K646-Q649 PolarHBondContact O-N 3.45Å; Q649-L651 PolarHBondContact O-N 3.27Å
650	I	35.3	Very low	30.5	Very low	133 Å²	133	124.2 Å²	124.2	68%	0.682	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-15.8	-180	-63.8	176.3	0	0	0	111.9
651	L	33.8	Very low	31.2	Very low	135 Å²	135	121.6 Å²	121.6	71%	0.707	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-2.9	-171.9	-89.9	160.5	0	0	0	115.6	Q649	Q649-L651 PolarHBondContact O-N 3.27Å
652	N	30.5	Very low	32.3	Very low	131 Å²	131	119.5 Å²	119.5	70%	0.701	66%	0.657	S	S	*	*	S	Bend	trans	-135.7	12.8	-172.1	-69.7	-71.9	0	0	0	115.2	D648	D648-N652 PolarHBondContact O-ND2 3.15Å
653	Q	28.7	Very low	33.6	Very low	148 Å²	148	118.4 Å²	118.4	69%	0.692	65%	0.65	S	S	*	*	S	Bend	trans	-144	89.3	174.6	-71.6	-167.8	-29.5	0	0	111.8
654	T	31.8	Very low	35.6	Very low	97 Å²	97	118.6 Å²	118.6	60%	0.595	65%	0.649	S	S	*	*				165.9	104.8	128.4	43.2	0	0	0	0	110.8	D656 C657	T654-D656 PolarHBondContact O-N 2.94Å; T654-C657 HydrophobicContact CG2-CB 3.74Å; T654-C657 WeakPolarHBondContact CG2-SG 3.21Å
655	D	33	Very low	37.7	Very low	175 Å²	175	117.9 Å²	117.9	94%	0.936	64%	0.644	S	S	*	*	S	Bend	trans	-78.5	-4.2	166.3	-71.4	-60.1	0	0	0	113
656	D	30.5	Very low	39.6	Very low	158 Å²	158	113.2 Å²	113.2	85%	0.845	62%	0.622	S	S	*	*	S	Bend	trans	-125.4	10.3	-170.2	-87.9	-51.9	0	0	0	115.4	T654	T654-D656 PolarHBondContact O-N 2.94Å
657	C	28.5	Very low	41.8	Very low	62 Å²	62	111.8 Å²	111.8	42%	0.419	62%	0.615	S	S	.	*			trans	-118.7	73	-174.8	-73.5	0	0	0	0	114.5	T654 E659 V660	T654-C657 HydrophobicContact CG2-CB 3.74Å; T654-C657 WeakPolarHBondContact CG2-SG 3.21Å; C657-E659 VanDerWaalsContact C-N 3.27Å; C657-E659 PolarHBondContact O-N 3.29Å; C657-V660 HydrophobicContact CB-CG2 4.04Å
658	S	29.7	Very low	44.2	Very low	117 Å²	117	115.4 Å²	115.4	82%	0.818	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-19.2	179.9	53.5	0	0	0	0	115.7
659	E	31.2	Very low	46.6	Very low	173 Å²	173	113.3 Å²	113.3	81%	0.808	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-21.6	-177.1	-63.1	-168.6	131.6	0	0	114.7	C657 C661	C657-E659 VanDerWaalsContact C-N 3.27Å; C657-E659 PolarHBondContact O-N 3.29Å; E659-C661 PolarHBondContact O-N 3.24Å
660	V	38.2	Very low	48.9	Very low	106 Å²	106	107.3 Å²	107.3	64%	0.642	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-29.2	-171.5	-179.1	0	0	0	0	111.9	C657 S662	C657-V660 HydrophobicContact CB-CG2 4.04Å; V660-S662 PolarHBondContact O-N 3.29Å
661	C	39.8	Very low	51.3	Low	101 Å²	101	102 Å²	102	68%	0.682	56%	0.555	S	S	*	*	S	Bend	trans	-82.3	40	-179.9	-152.1	0	0	0	0	113.2	E659	E659-C661 PolarHBondContact O-N 3.24Å
662	S	50.2	Low	53.7	Low	53 Å²	53	99.4 Å²	99.4	37%	0.371	54%	0.542	S	S	.	.			trans	-76.1	130.9	179.5	70.7	0	0	0	0	111.9	V660 V664 F665 A666	V660-S662 PolarHBondContact O-N 3.29Å; S662-V664 PolarHBondContact O-N 3.24Å; S662-V664 VanDerWaalsContact O-N 3.11Å; S662-F665 PolarHBondContact O-N 2.81Å; S662-F665 WeakPolarHBondContact OG-CB 3.03Å; S662-F665 PolarHBondContact OG-N 3.31Å; S662-A666 PolarHBondContact O-N 2.89Å
663	T	54.9	Low	56.4	Low	102 Å²	102	93.7 Å²	93.7	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-60.3	-23.5	177.1	57.1	0	0	0	0	112.8	K667	T663-K667 WeakPolarHBondContact O-CB 3.31Å; T663-K667 VanDerWaalsContact O-CG 3.24Å; T663-K667 WeakPolarHBondContact O-CG 3.2Å; T663-K667 PolarHBondContact O-N 3.14Å; T663-K667 VanDerWaalsContact O-N 3.11Å
664	V	69.2	Low	59.2	Low	106 Å²	106	86.6 Å²	86.6	64%	0.642	48%	0.478	S	S	*	.	H	α-helix	trans	-68.4	-43.1	173.9	-177.7	0	0	0	0	111.4	S662 K668	S662-V664 PolarHBondContact O-N 3.24Å; S662-V664 VanDerWaalsContact O-N 3.11Å; V664-K668 WeakPolarHBondContact O-CB 3.31Å; V664-K668 PolarHBondContact O-N 2.81Å
665	F	70.4	Confident	61.8	Low	132 Å²	132	84 Å²	84	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-66.4	-44.2	177.2	-173.8	-92.5	0	0	0	111.2	S662 K667 K668 H669	S662-F665 PolarHBondContact O-N 2.81Å; S662-F665 WeakPolarHBondContact OG-CB 3.03Å; S662-F665 PolarHBondContact OG-N 3.31Å; F665-K667 PolarHBondContact O-N 3.13Å; F665-K668 PolarHBondContact O-N 3.49Å; F665-H669 WeakPolarHBondContact O-CB 3.37Å; F665-H669 PolarHBondContact O-N 2.93Å
666	A	69	Low	64.2	Low	11 Å²	11	77.3 Å²	77.3	9%	0.091	42%	0.424	C	S	.	.	H	α-helix	trans	-56.7	-48.7	175.9	0	0	0	0	0	112.3	S662 H669 A670 L722 I723	S662-A666 PolarHBondContact O-N 2.89Å; A666-H669 PolarHBondContact O-N 2.77Å; A666-A670 WeakPolarHBondContact O-CB 3.15Å; A666-A670 PolarHBondContact O-N 2.96Å; A666-L722 HydrophobicContact CB-CB 4.15Å; A666-I723 HydrophobicContact CB-CG2 4.47Å
667	K	76	Confident	66.8	Low	114 Å²	114	70.1 Å²	70.1	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-60.5	-45.5	175.7	-73.2	176.1	179.1	-177.1	0	112.7	T663 F665 H669 A670 N671 Y727	T663-K667 WeakPolarHBondContact O-CB 3.31Å; T663-K667 VanDerWaalsContact O-CG 3.24Å; T663-K667 WeakPolarHBondContact O-CG 3.2Å; T663-K667 PolarHBondContact O-N 3.14Å; T663-K667 VanDerWaalsContact O-N 3.11Å; F665-K667 PolarHBondContact O-N 3.13Å; K667-H669 PolarHBondContact O-N 3.39Å; K667-A670 PolarHBondContact O-N 3.08Å; K667-N671 PolarHBondContact O-N 3.25Å; K667-Y727 HydrophobicContact CB-CE2 4.41Å; K667-Y727 HydrophobicContact CG-CE2 3.9Å; K667-Y727 PolarHBondContact O-OH 2.69Å
668	K	78.8	Confident	69.6	Low	140 Å²	140	67.1 Å²	67.1	61%	0.609	37%	0.365	S	S	*	.	H	α-helix	trans	-65.4	-38.5	178.5	-171.9	170.5	-176.5	172.4	0	112.1	V664 F665 N672	V664-K668 WeakPolarHBondContact O-CB 3.31Å; V664-K668 PolarHBondContact O-N 2.81Å; F665-K668 PolarHBondContact O-N 3.49Å; K668-N672 VanDerWaalsContact O-CG 3.26Å; K668-N672 PolarHBondContact O-N 2.77Å; K668-N672 VanDerWaalsContact O-N 3.15Å; K668-N672 PolarHBondContact O-OD1 3.47Å
669	H	84.7	Confident	72.1	Confident	59 Å²	59	64 Å²	64	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-45.4	173.9	-167	69.8	0	0	0	110.9	F665 A666 K667 N671 N672 L673	F665-H669 WeakPolarHBondContact O-CB 3.37Å; F665-H669 PolarHBondContact O-N 2.93Å; A666-H669 PolarHBondContact O-N 2.77Å; K667-H669 PolarHBondContact O-N 3.39Å; H669-N671 PolarHBondContact O-N 2.95Å; H669-N672 PolarHBondContact O-N 3.35Å; H669-L673 VanDerWaalsContact CD2-CD1 3.5Å; H669-L673 WeakPolarHBondContact CD2-CD1 3.26Å; H669-L673 VanDerWaalsContact O-CG 3.31Å; H669-L673 WeakPolarHBondContact O-CG 3.44Å; H669-L673 PolarHBondContact O-N 3.11Å
670	A	83.1	Confident	74.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-43.6	177.3	0	0	0	0	0	113.2	A666 K667 L673 L674 I723 Y727	A666-A670 WeakPolarHBondContact O-CB 3.15Å; A666-A670 PolarHBondContact O-N 2.96Å; K667-A670 PolarHBondContact O-N 3.08Å; A670-L673 PolarHBondContact O-N 2.72Å; A670-L674 WeakPolarHBondContact O-CB 3.19Å; A670-L674 WeakPolarHBondContact O-CG 3.33Å; A670-L674 PolarHBondContact O-N 3.04Å; A670-I723 HydrophobicContact CB-CD1 3.65Å; A670-I723 HydrophobicContact CB-CG2 3.87Å; A670-Y727 HydrophobicContact CB-CD1 3.69Å; A670-Y727 HydrophobicContact CB-CE1 3.46Å; A670-Y727 VanDerWaalsContact CB-CE1 3.46Å
671	N	85	Confident	76.4	Confident	23 Å²	23	56.9 Å²	56.9	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-50.7	172.7	-74.9	-5.5	0	0	0	111.2	K667 H669 L673 L674 W675 Y727 H729 S730	K667-N671 PolarHBondContact O-N 3.25Å; H669-N671 PolarHBondContact O-N 2.95Å; N671-L673 VanDerWaalsContact C-N 3.28Å; N671-L673 PolarHBondContact O-N 2.88Å; N671-L674 PolarHBondContact O-N 3.39Å; N671-W675 PolarHBondContact O-N 3.04Å; N671-Y727 VanDerWaalsContact OD1-CE1 3.31Å; N671-Y727 WeakPolarHBondContact OD1-CE1 3.48Å; N671-Y727 PolarHBondContact OD1-OH 2.89Å; N671-H729 PolarHBondContact O-CD2 2.86Å; N671-S730 WeakPolarHBondContact ND2-CB 3.38Å; N671-S730 PolarHBondContact ND2-OG 3.23Å; N671-S730 PolarHBondContact OD1-N 2.81Å; N671-S730 VanDerWaalsContact OD1-N 3.14Å; N671-S730 PolarHBondContact OD1-OG 2.89Å
672	N	84.5	Confident	78.4	Confident	80 Å²	80	52.6 Å²	52.6	43%	0.428	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-37.4	179.1	-70.7	-1.3	0	0	0	112.5	K668 H669 S676	K668-N672 VanDerWaalsContact O-CG 3.26Å; K668-N672 PolarHBondContact O-N 2.77Å; K668-N672 VanDerWaalsContact O-N 3.15Å; K668-N672 PolarHBondContact O-OD1 3.47Å; H669-N672 PolarHBondContact O-N 3.35Å; N672-S676 VanDerWaalsContact O-CB 3.25Å; N672-S676 WeakPolarHBondContact O-CB 3.48Å; N672-S676 PolarHBondContact O-N 3.46Å; N672-S676 PolarHBondContact O-OG 2.83Å
673	L	86.8	Confident	79.7	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.052	25%	0.25	C	C	.	.	H	α-helix	trans	-68.6	-46	175.8	-71.1	175.5	0	0	0	111.8	H669 A670 N671 S676 I677 C710 N713 L714	H669-L673 VanDerWaalsContact CD2-CD1 3.5Å; H669-L673 WeakPolarHBondContact CD2-CD1 3.26Å; H669-L673 VanDerWaalsContact O-CG 3.31Å; H669-L673 WeakPolarHBondContact O-CG 3.44Å; H669-L673 PolarHBondContact O-N 3.11Å; A670-L673 PolarHBondContact O-N 2.72Å; N671-L673 VanDerWaalsContact C-N 3.28Å; N671-L673 PolarHBondContact O-N 2.88Å; L673-S676 PolarHBondContact O-N 3.42Å; L673-I677 WeakPolarHBondContact O-CD1 3.21Å; L673-I677 VanDerWaalsContact O-CG1 3.28Å; L673-I677 WeakPolarHBondContact O-CG1 3.36Å; L673-I677 PolarHBondContact O-N 3.02Å; L673-C710 HydrophobicContact CD2-CB 4.18Å; L673-N713 HydrophobicContact CD1-CB 3.9Å; L673-N713 HydrophobicContact CD2-CB 4.09Å; L673-L714 HydrophobicContact CB-CB 4.42Å; L673-L714 HydrophobicContact CB-CD1 4.25Å; L673-L714 HydrophobicContact CD1-CB 4.06Å; L673-L714 HydrophobicContact CD1-CD1 4.37Å
674	L	88.5	Confident	80.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-43.6	177.4	-72	174.3	0	0	0	111.7	A670 N671 I677 W678 L714 Y727 H729 V739	A670-L674 WeakPolarHBondContact O-CB 3.19Å; A670-L674 WeakPolarHBondContact O-CG 3.33Å; A670-L674 PolarHBondContact O-N 3.04Å; N671-L674 PolarHBondContact O-N 3.39Å; L674-I677 PolarHBondContact O-N 3.12Å; L674-W678 WeakPolarHBondContact O-CB 3.26Å; L674-W678 PolarHBondContact O-N 2.75Å; L674-L714 HydrophobicContact CD2-CD1 4.25Å; L674-L714 HydrophobicContact CD2-CD2 3.61Å; L674-L714 HydrophobicContact CG-CD1 4.25Å; L674-L714 HydrophobicContact CG-CD2 4.42Å; L674-Y727 HydrophobicContact CD1-CD1 3.87Å; L674-Y727 HydrophobicContact CD1-CE1 4.19Å; L674-H729 HydrophobicContact CB-CB 4.42Å; L674-H729 HydrophobicContact CD1-CB 3.89Å; L674-V739 HydrophobicContact CD2-CB 4.14Å; L674-V739 HydrophobicContact CD2-CG1 4.39Å; L674-V739 HydrophobicContact CD2-CG2 4.15Å
675	W	86.3	Confident	80	Confident	42 Å²	42	47 Å²	47	16%	0.159	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-45.5	172.5	179.8	-119.1	0	0	0	112	W588 E593 N671 I677 W678 L679 L683	W588-W675 AromaticContact CD1-CZ3 3.84Å; W588-W675 HydrophobicContact CD2-CE3 4.01Å; W588-W675 AromaticContact CD2-CZ3 3.79Å; W588-W675 HydrophobicContact CD2-CZ3 3.79Å; W588-W675 AromaticContact CE2-CE3 3.41Å; W588-W675 VanDerWaalsContact CE2-CE3 3.41Å; W588-W675 AromaticContact CE2-CZ3 3.71Å; W588-W675 HydrophobicContact CE3-CZ3 4.42Å; W588-W675 HydrophobicContact CG-CE3 4.4Å; W588-W675 AromaticContact CG-CZ3 3.94Å; W588-W675 HydrophobicContact CG-CZ3 3.94Å; W588-W675 HydrophobicContact CH2-CE3 4.42Å; W588-W675 AromaticContact CZ2-CE3 3.67Å; W588-W675 HydrophobicContact CZ2-CE3 3.67Å; W588-W675 HydrophobicContact CZ2-CZ3 4.3Å; W588-W675 AromaticContact NE1-CE3 3.4Å; W588-W675 AromaticContact NE1-CZ3 3.69Å; E593-W675 HydrophobicContact CG-CZ2 4.1Å; E593-W675 PolarHBondContact OE2-NE1 3.49Å; N671-W675 PolarHBondContact O-N 3.04Å; W675-I677 VanDerWaalsContact C-N 3.31Å; W675-I677 PolarHBondContact O-N 2.87Å; W675-W678 AromaticContact CZ3-CD1 3.74Å; W675-W678 PolarHBondContact O-N 2.78Å; W675-L679 HydrophobicContact CZ2-CD1 4.3Å; W675-L679 WeakPolarHBondContact O-CB 3.41Å; W675-L679 PolarHBondContact O-N 3.22Å; W675-L683 HydrophobicContact CH2-CD1 4.38Å
676	S	82.3	Confident	79.4	Confident	35 Å²	35	44.7 Å²	44.7	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-40.2	177.4	-63.7	0	0	0	0	112.3	N672 L673 R680	N672-S676 VanDerWaalsContact O-CB 3.25Å; N672-S676 WeakPolarHBondContact O-CB 3.48Å; N672-S676 PolarHBondContact O-N 3.46Å; N672-S676 PolarHBondContact O-OG 2.83Å; L673-S676 PolarHBondContact O-N 3.42Å; S676-R680 VanDerWaalsContact O-CB 3.24Å; S676-R680 WeakPolarHBondContact O-CB 3.48Å; S676-R680 WeakPolarHBondContact O-CG 3.28Å; S676-R680 PolarHBondContact O-N 3.48Å; S676-R680 VanDerWaalsContact O-N 3.09Å
677	I	85.6	Confident	78.7	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-47.6	176.2	-67.3	158.4	0	0	0	109.9	L673 L674 W675 L679 R680 T681 C710 L714 V739 L745	L673-I677 WeakPolarHBondContact O-CD1 3.21Å; L673-I677 VanDerWaalsContact O-CG1 3.28Å; L673-I677 WeakPolarHBondContact O-CG1 3.36Å; L673-I677 PolarHBondContact O-N 3.02Å; L674-I677 PolarHBondContact O-N 3.12Å; W675-I677 VanDerWaalsContact C-N 3.31Å; W675-I677 PolarHBondContact O-N 2.87Å; I677-L679 PolarHBondContact O-N 3.26Å; I677-R680 PolarHBondContact O-N 2.86Å; I677-T681 HydrophobicContact CG2-CG2 4.16Å; I677-T681 VanDerWaalsContact O-CB 3.3Å; I677-T681 WeakPolarHBondContact O-CB 3.17Å; I677-T681 WeakPolarHBondContact O-CG2 3.4Å; I677-T681 PolarHBondContact O-N 3.24Å; I677-T681 PolarHBondContact O-OG1 3.19Å; I677-C710 HydrophobicContact CG1-CB 4.02Å; I677-L714 HydrophobicContact CD1-CB 4.33Å; I677-L714 HydrophobicContact CD1-CD2 3.73Å; I677-V739 HydrophobicContact CB-CG1 3.99Å; I677-V739 HydrophobicContact CG2-CG1 3.7Å; I677-L745 HydrophobicContact CG2-CD1 3.78Å
678	W	87.3	Confident	77.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-49.2	177.6	-177.3	-103.8	0	0	0	112.2	W588 L589 L674 W675 R680 T681 V682 L683 L734 V739 A742 F812	W588-W678 AromaticContact CE3-CD1 3.85Å; W588-W678 HydrophobicContact CE3-CD2 4.02Å; W588-W678 AromaticContact CE3-CE2 3.7Å; W588-W678 HydrophobicContact CE3-CG 4.12Å; W588-W678 HydrophobicContact CE3-CZ2 4.17Å; W588-W678 AromaticContact CE3-NE1 3.58Å; W588-W678 HydrophobicContact CH2-CB 3.65Å; W588-W678 AromaticContact CH2-CD1 3.97Å; W588-W678 AromaticContact CH2-CD2 3.81Å; W588-W678 HydrophobicContact CH2-CD2 3.81Å; W588-W678 HydrophobicContact CH2-CE3 4.17Å; W588-W678 AromaticContact CH2-CG 3.57Å; W588-W678 HydrophobicContact CH2-CG 3.57Å; W588-W678 HydrophobicContact CZ2-CB 4.38Å; W588-W678 HydrophobicContact CZ2-CG 4.44Å; W588-W678 HydrophobicContact CZ3-CB 4Å; W588-W678 AromaticContact CZ3-CD1 3.57Å; W588-W678 AromaticContact CZ3-CD2 3.2Å; W588-W678 HydrophobicContact CZ3-CD2 3.2Å; W588-W678 AromaticContact CZ3-CE2 3.38Å; W588-W678 AromaticContact CZ3-CE3 3.63Å; W588-W678 HydrophobicContact CZ3-CE3 3.63Å; W588-W678 AromaticContact CZ3-CG 3.37Å; W588-W678 HydrophobicContact CZ3-CG 3.37Å; W588-W678 HydrophobicContact CZ3-CH2 4.33Å; W588-W678 AromaticContact CZ3-CZ2 3.98Å; W588-W678 HydrophobicContact CZ3-CZ2 3.98Å; W588-W678 HydrophobicContact CZ3-CZ3 4.16Å; W588-W678 AromaticContact CZ3-NE1 3.57Å; W588-W678 PolarHBondContact O-NE1 2.82Å; L589-W678 HydrophobicContact CD2-CZ2 4.27Å; L674-W678 WeakPolarHBondContact O-CB 3.26Å; L674-W678 PolarHBondContact O-N 2.75Å; W675-W678 AromaticContact CZ3-CD1 3.74Å; W675-W678 PolarHBondContact O-N 2.78Å; W678-R680 PolarHBondContact O-N 3.44Å; W678-T681 PolarHBondContact O-N 2.97Å; W678-V682 HydrophobicContact CD2-CB 3.92Å; W678-V682 HydrophobicContact CD2-CG1 4.19Å; W678-V682 HydrophobicContact CD2-CG2 3.97Å; W678-V682 HydrophobicContact CE3-CB 3.99Å; W678-V682 HydrophobicContact CE3-CG1 4.16Å; W678-V682 HydrophobicContact CE3-CG2 3.57Å; W678-V682 HydrophobicContact CG-CB 4.4Å; W678-V682 HydrophobicContact CH2-CG1 3.98Å; W678-V682 HydrophobicContact CZ2-CG1 4Å; W678-V682 HydrophobicContact CZ3-CB 4.39Å; W678-V682 HydrophobicContact CZ3-CG1 4.07Å; W678-V682 HydrophobicContact CZ3-CG2 4Å; W678-V682 WeakPolarHBondContact O-CA 3.38Å; W678-V682 VanDerWaalsContact O-CB 3.31Å; W678-V682 WeakPolarHBondContact O-CB 3.28Å; W678-V682 PolarHBondContact O-N 2.92Å; W678-L683 PolarHBondContact O-N 2.97Å; W678-L683 VanDerWaalsContact O-N 3.09Å; W678-L734 HydrophobicContact CH2-CD1 4.44Å; W678-L734 HydrophobicContact CZ3-CD1 4.39Å; W678-V739 HydrophobicContact CB-CG1 4.24Å; W678-V739 HydrophobicContact CE3-CG2 4.43Å; W678-A742 HydrophobicContact CE3-CB 4.16Å; W678-A742 HydrophobicContact CH2-CB 4.21Å; W678-A742 HydrophobicContact CZ3-CB 3.46Å; W678-A742 VanDerWaalsContact CZ3-CB 3.46Å; W678-F812 HydrophobicContact CH2-CE2 4.04Å; W678-F812 HydrophobicContact CH2-CZ 4.29Å
679	L	81.6	Confident	75.9	Confident	52 Å²	52	49 Å²	49	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-43	179.5	-167.2	71	0	0	0	111.9	W675 I677 L683 D684	W675-L679 HydrophobicContact CZ2-CD1 4.3Å; W675-L679 WeakPolarHBondContact O-CB 3.41Å; W675-L679 PolarHBondContact O-N 3.22Å; I677-L679 PolarHBondContact O-N 3.26Å; L679-L683 HydrophobicContact CD1-CB 4.38Å; L679-L683 HydrophobicContact CD1-CD1 4.1Å; L679-D684 PolarHBondContact O-N 3.19Å
680	R	79	Confident	73.6	Confident	115 Å²	115	50 Å²	50	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-83.6	-17	-177.1	-67.6	176.8	-179.2	-167.5	1.9	115.5	S676 I677 W678 G706	S676-R680 VanDerWaalsContact O-CB 3.24Å; S676-R680 WeakPolarHBondContact O-CB 3.48Å; S676-R680 WeakPolarHBondContact O-CG 3.28Å; S676-R680 PolarHBondContact O-N 3.48Å; S676-R680 VanDerWaalsContact O-N 3.09Å; I677-R680 PolarHBondContact O-N 2.86Å; W678-R680 PolarHBondContact O-N 3.44Å; R680-G706 PolarHBondContact NH1-O 3.41Å
681	T	81	Confident	71.5	Confident	13 Å²	13	56.9 Å²	56.9	8%	0.08	29%	0.288	C	S	.	.	H	α-helix	trans	-122.4	-21.4	-174	68.6	0	0	0	0	114.4	I677 W678 R687 G743 L745	I677-T681 HydrophobicContact CG2-CG2 4.16Å; I677-T681 VanDerWaalsContact O-CB 3.3Å; I677-T681 WeakPolarHBondContact O-CB 3.17Å; I677-T681 WeakPolarHBondContact O-CG2 3.4Å; I677-T681 PolarHBondContact O-N 3.24Å; I677-T681 PolarHBondContact O-OG1 3.19Å; W678-T681 PolarHBondContact O-N 2.97Å; T681-R687 PolarHBondContact O-NE 2.65Å; T681-R687 PolarHBondContact O-NH2 3.42Å; T681-G743 VanDerWaalsContact OG1-CA 3.26Å; T681-G743 WeakPolarHBondContact OG1-CA 3.46Å; T681-L745 HydrophobicContact CG2-CD1 4.37Å; T681-L745 HydrophobicContact CG2-CD2 4.32Å
682	V	81.7	Confident	69.1	Low	11 Å²	11	63.3 Å²	63.3	7%	0.067	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-50	-179.3	-172	0	0	0	0	111.5	W678 A742 F812	W678-V682 HydrophobicContact CD2-CB 3.92Å; W678-V682 HydrophobicContact CD2-CG1 4.19Å; W678-V682 HydrophobicContact CD2-CG2 3.97Å; W678-V682 HydrophobicContact CE3-CB 3.99Å; W678-V682 HydrophobicContact CE3-CG1 4.16Å; W678-V682 HydrophobicContact CE3-CG2 3.57Å; W678-V682 HydrophobicContact CG-CB 4.4Å; W678-V682 HydrophobicContact CH2-CG1 3.98Å; W678-V682 HydrophobicContact CZ2-CG1 4Å; W678-V682 HydrophobicContact CZ3-CB 4.39Å; W678-V682 HydrophobicContact CZ3-CG1 4.07Å; W678-V682 HydrophobicContact CZ3-CG2 4Å; W678-V682 WeakPolarHBondContact O-CA 3.38Å; W678-V682 VanDerWaalsContact O-CB 3.31Å; W678-V682 WeakPolarHBondContact O-CB 3.28Å; W678-V682 PolarHBondContact O-N 2.92Å; V682-A742 HydrophobicContact CG1-CB 4.29Å; V682-A742 HydrophobicContact CG2-CB 3.67Å; V682-F812 HydrophobicContact CG1-CD1 3.87Å; V682-F812 HydrophobicContact CG1-CD2 4.22Å; V682-F812 HydrophobicContact CG1-CE1 3.46Å; V682-F812 VanDerWaalsContact CG1-CE1 3.46Å; V682-F812 HydrophobicContact CG1-CE2 3.86Å; V682-F812 HydrophobicContact CG1-CG 4.24Å; V682-F812 HydrophobicContact CG1-CZ 3.45Å; V682-F812 VanDerWaalsContact CG1-CZ 3.45Å
683	L	78.6	Confident	66.5	Low	7 Å²	7	67.7 Å²	67.7	4%	0.037	33%	0.333	C	S	.	.	S	Bend	trans	-85.2	-7.7	-176.1	-62.2	179.8	0	0	0	114.6	K592 W675 W678 L679 P685 L773	K592-L683 PolarHBondContact NZ-O 3.39Å; W675-L683 HydrophobicContact CH2-CD1 4.38Å; W678-L683 PolarHBondContact O-N 2.97Å; W678-L683 VanDerWaalsContact O-N 3.09Å; L679-L683 HydrophobicContact CD1-CB 4.38Å; L679-L683 HydrophobicContact CD1-CD1 4.1Å; L683-P685 WeakPolarHBondContact O-CD 3.37Å; L683-L773 HydrophobicContact CD2-CD2 3.98Å
684	D	70.8	Confident	63.7	Low	41 Å²	41	75.9 Å²	75.9	22%	0.219	37%	0.371	C	S	.	.			trans	-60	117.2	177	177.7	3.8	0	0	0	111.6	L679 N686 R687	L679-D684 PolarHBondContact O-N 3.19Å; D684-N686 PolarHBondContact O-N 3.22Å; D684-N686 WeakPolarHBondContact OD1-CB 3.48Å; D684-N686 PolarHBondContact OD1-N 2.73Å; D684-N686 PolarHBondContact OD1-ND2 3.35Å; D684-R687 PolarHBondContact O-N 3.37Å
685	P	59.7	Low	61	Low	96 Å²	96	81.5 Å²	81.5	62%	0.623	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.9	179.6	29	-35.9	0	0	0	114.4	L683	L683-P685 WeakPolarHBondContact O-CD 3.37Å
686	N	57.7	Low	58.3	Low	83 Å²	83	86.9 Å²	86.9	44%	0.444	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4	-179.3	-66.2	-67.8	0	0	0	114.4	D684 N688 K689	D684-N686 PolarHBondContact O-N 3.22Å; D684-N686 WeakPolarHBondContact OD1-CB 3.48Å; D684-N686 PolarHBondContact OD1-N 2.73Å; D684-N686 PolarHBondContact OD1-ND2 3.35Å; N686-N688 PolarHBondContact O-N 3.46Å; N686-K689 PolarHBondContact O-N 3.47Å
687	R	54.5	Low	55.9	Low	52 Å²	52	93.7 Å²	93.7	20%	0.196	45%	0.451	C	S	.	.	H	α-helix	trans	-43.1	-42	-176.3	-150.2	176	-165.7	-108.4	-10.3	113.9	T681 D684 K689 A742 G743 F812 N814	T681-R687 PolarHBondContact O-NE 2.65Å; T681-R687 PolarHBondContact O-NH2 3.42Å; D684-R687 PolarHBondContact O-N 3.37Å; R687-K689 VanDerWaalsContact C-N 3.32Å; R687-K689 PolarHBondContact O-N 3.14Å; R687-A742 PolarHBondContact NH2-O 3.07Å; R687-G743 PolarHBondContact NH2-O 3.11Å; R687-F812 PolarHBondContact NH1-O 3.4Å; R687-N814 PolarHBondContact NH1-OD1 3.39Å; R687-N814 PolarHBondContact NH2-OD1 2.83Å
688	N	48	Very low	53.4	Low	134 Å²	134	98.6 Å²	98.6	72%	0.717	48%	0.481	S	S	*	.	H	α-helix	trans	-78.2	-4.9	-176.2	-67.7	9.3	0	0	0	115.2	N686	N686-N688 PolarHBondContact O-N 3.46Å
689	K	46.3	Very low	50.9	Low	169 Å²	169	102.3 Å²	102.3	74%	0.735	50%	0.501	S	S	*	.	H	α-helix	trans	-88.7	-29.7	174.1	-76.8	-175.8	174.3	177.7	0	113.5	N686 R687 N691	N686-K689 PolarHBondContact O-N 3.47Å; R687-K689 VanDerWaalsContact C-N 3.32Å; R687-K689 PolarHBondContact O-N 3.14Å; K689-N691 VanDerWaalsContact C-N 3.35Å; K689-N691 PolarHBondContact O-N 2.83Å
690	L	36.7	Very low	48.6	Very low	82 Å²	82	105.7 Å²	105.7	43%	0.429	52%	0.515	S	S	.	.	H	α-helix	trans	-70	-30.3	-177.2	-79.3	147.6	0	0	0	112.8	K692 M695	L690-K692 PolarHBondContact O-N 3.37Å; L690-M695 HydrophobicContact CD2-SD 3.88Å
691	N	40	Very low	46.3	Very low	143 Å²	143	106.8 Å²	106.8	77%	0.765	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	16.8	-169.4	-66.6	5.1	0	0	0	114.9	K689	K689-N691 VanDerWaalsContact C-N 3.35Å; K689-N691 PolarHBondContact O-N 2.83Å
692	K	35.3	Very low	44	Very low	159 Å²	159	115.2 Å²	115.2	69%	0.691	57%	0.566	S	S	*	*	S	Bend	trans	-140.8	93.8	-178.7	-71.3	-168.6	177.3	-179.5	0	114.5	L690	L690-K692 PolarHBondContact O-N 3.37Å
693	H	29.5	Very low	41.8	Very low	171 Å²	171	118.9 Å²	118.9	79%	0.792	59%	0.588	S	S	*	*	S	Bend	trans	64.7	128.1	168.4	-62.8	-89.1	0	0	0	117.4
694	H	27.6	Very low	39.8	Very low	183 Å²	183	121.3 Å²	121.3	85%	0.847	60%	0.603	S	S	*	*			trans	58.3	82.8	168.1	-55	-66.8	0	0	0	116.8
695	M	30.5	Very low	38.3	Very low	118 Å²	118	124.5 Å²	124.5	58%	0.581	62%	0.617	S	S	*	*			trans	-113.9	149.9	142.3	-66.5	-164.5	67.3	0	0	108.7	L690 D699	L690-M695 HydrophobicContact CD2-SD 3.88Å; M695-D699 HydrophobicContact CE-CB 3.89Å
696	K	31.2	Very low	37.6	Very low	154 Å²	154	121.6 Å²	121.6	67%	0.67	60%	0.604	S	S	*	*			trans	-100.6	153.9	-179.7	-67.4	175.7	-179.9	174.6	0	109.8	T698 D699	K696-T698 PolarHBondContact O-N 3.32Å; K696-D699 PolarHBondContact O-N 2.87Å
697	E	31.6	Very low	37.3	Very low	178 Å²	178	121.2 Å²	121.2	83%	0.832	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-53.2	-22.9	177.8	-61.3	165.9	125.3	0	0	113.5
698	T	33.9	Very low	37.5	Very low	109 Å²	109	122.9 Å²	122.9	67%	0.669	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-70.7	-25.9	176.8	50.2	0	0	0	0	114.5	K696	K696-T698 PolarHBondContact O-N 3.32Å
699	D	34.3	Very low	38.5	Very low	79 Å²	79	119 Å²	119	42%	0.422	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-92.9	-5.5	-169.1	-52	-13.4	0	0	0	111.7	M695 K696	M695-D699 HydrophobicContact CE-CB 3.89Å; K696-D699 PolarHBondContact O-N 2.87Å
700	E	33.3	Very low	40	Very low	122 Å²	122	111.8 Å²	111.8	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-75.3	-34.8	-175.6	-63	-163.8	128.1	0	0	113.4	E702 V703 T704	E700-E702 PolarHBondContact O-N 3.43Å; E700-V703 PolarHBondContact O-N 3.29Å; E700-T704 HydrophobicContact CB-CG2 4.31Å; E700-T704 VanDerWaalsContact O-CB 3.31Å; E700-T704 WeakPolarHBondContact O-CB 3.45Å; E700-T704 WeakPolarHBondContact O-CG2 3.06Å; E700-T704 PolarHBondContact O-N 2.85Å; E700-T704 PolarHBondContact O-OG1 3.43Å
701	M	31	Very low	42.1	Very low	139 Å²	139	109 Å²	109	69%	0.685	55%	0.551	S	S	*	*	H	α-helix	trans	-60.4	-51.5	-168.5	-76.2	-173.8	63.6	0	0	113.5	V703 T704	M701-V703 VanDerWaalsContact C-N 3.31Å; M701-V703 PolarHBondContact O-N 3.43Å; M701-T704 PolarHBondContact O-OG1 3.3Å
702	E	31.8	Very low	43.9	Very low	190 Å²	190	105.7 Å²	105.7	89%	0.888	54%	0.535	S	S	*	.	H	α-helix	trans	-70.1	-24.9	-175.2	-64.6	-168.3	145.4	0	0	113.6	E700	E700-E702 PolarHBondContact O-N 3.43Å
703	V	35	Very low	46	Very low	87 Å²	87	100 Å²	100	53%	0.527	51%	0.513	S	S	.	.	H	α-helix	trans	-94.2	-25	-177.6	-175.2	0	0	0	0	112.3	E700 M701	E700-V703 PolarHBondContact O-N 3.29Å; M701-V703 VanDerWaalsContact C-N 3.31Å; M701-V703 PolarHBondContact O-N 3.43Å
704	T	37.9	Very low	48.6	Very low	58 Å²	58	92 Å²	92	36%	0.356	48%	0.475	S	S	.	.	H	α-helix	trans	-79.3	-38.3	-179	51.2	0	0	0	0	113.5	E700 M701 G706 K707 N708	E700-T704 HydrophobicContact CB-CG2 4.31Å; E700-T704 VanDerWaalsContact O-CB 3.31Å; E700-T704 WeakPolarHBondContact O-CB 3.45Å; E700-T704 WeakPolarHBondContact O-CG2 3.06Å; E700-T704 PolarHBondContact O-N 2.85Å; E700-T704 PolarHBondContact O-OG1 3.43Å; M701-T704 PolarHBondContact O-OG1 3.3Å; T704-G706 VanDerWaalsContact C-N 3.31Å; T704-G706 PolarHBondContact O-N 2.69Å; T704-K707 PolarHBondContact O-N 2.58Å; T704-K707 VanDerWaalsContact O-N 3.12Å; T704-N708 WeakPolarHBondContact O-CB 3.35Å; T704-N708 PolarHBondContact O-N 2.99Å; T704-N708 PolarHBondContact O-ND2 2.62Å
705	E	37.7	Very low	51.2	Low	109 Å²	109	84.5 Å²	84.5	51%	0.509	44%	0.442	S	S	.	.	H	α-helix	trans	-54.4	-45.4	-179.3	-72.6	-164.3	170.8	0	0	112.7	H644 K707 N708 S709	H644-E705 IonicContact CE1-OE2 3.89Å; H644-E705 PolarHBondContact CE1-OE2 3.09Å; E705-K707 VanDerWaalsContact C-N 3.34Å; E705-K707 PolarHBondContact O-N 3.16Å; E705-N708 PolarHBondContact O-N 3.06Å; E705-S709 PolarHBondContact O-N 3.44Å; E705-S709 VanDerWaalsContact O-N 3.07Å; E705-S709 PolarHBondContact O-OG 2.85Å; E705-S709 VanDerWaalsContact O-OG 3.08Å
706	G	44.8	Very low	53.4	Low	34 Å²	34	81.8 Å²	81.8	35%	0.351	43%	0.428	S	S	.	.	H	α-helix	trans	-70	-22.2	-178.8	0	0	0	0	0	115.1	R680 T704 S709	R680-G706 PolarHBondContact NH1-O 3.41Å; T704-G706 VanDerWaalsContact C-N 3.31Å; T704-G706 PolarHBondContact O-N 2.69Å; G706-S709 PolarHBondContact O-OG 3.5Å
707	K	51.8	Low	55.6	Low	76 Å²	76	75.1 Å²	75.1	33%	0.33	40%	0.4	S	S	.	.	H	α-helix	trans	-89.5	-38.5	174	-74.8	-175.5	175	178.5	0	111.7	T704 E705	T704-K707 PolarHBondContact O-N 2.58Å; T704-K707 VanDerWaalsContact O-N 3.12Å; E705-K707 VanDerWaalsContact C-N 3.34Å; E705-K707 PolarHBondContact O-N 3.16Å
708	N	58.3	Low	57.8	Low	86 Å²	86	67.5 Å²	67.5	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-67.7	-44.4	-179.5	-70.6	-19.1	0	0	0	112	T704 E705 C710 L711 T712	T704-N708 WeakPolarHBondContact O-CB 3.35Å; T704-N708 PolarHBondContact O-N 2.99Å; T704-N708 PolarHBondContact O-ND2 2.62Å; E705-N708 PolarHBondContact O-N 3.06Å; N708-C710 PolarHBondContact O-N 3.3Å; N708-L711 PolarHBondContact O-N 3.06Å; N708-L711 VanDerWaalsContact O-N 3.07Å; N708-T712 WeakPolarHBondContact O-CB 3.47Å; N708-T712 PolarHBondContact O-N 3.34Å; N708-T712 PolarHBondContact O-OG1 2.81Å; N708-T712 VanDerWaalsContact O-OG1 3.12Å
709	S	69.2	Low	59.8	Low	54 Å²	54	67.5 Å²	67.5	38%	0.378	36%	0.36	S	S	.	.	H	α-helix	trans	-51.1	-47.9	-177.5	49.4	0	0	0	0	115	E705 G706 N713	E705-S709 PolarHBondContact O-N 3.44Å; E705-S709 VanDerWaalsContact O-N 3.07Å; E705-S709 PolarHBondContact O-OG 2.85Å; E705-S709 VanDerWaalsContact O-OG 3.08Å; G706-S709 PolarHBondContact O-OG 3.5Å; S709-N713 WeakPolarHBondContact O-CB 3.38Å; S709-N713 VanDerWaalsContact O-CG 3.24Å; S709-N713 PolarHBondContact O-N 3.21Å; S709-N713 PolarHBondContact O-OD1 3.38Å
710	C	78.1	Confident	61.7	Low	16 Å²	16	67 Å²	67	11%	0.108	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-39.1	178.7	-63.3	0	0	0	0	112.6	L673 I677 N708 L714	L673-C710 HydrophobicContact CD2-CB 4.18Å; I677-C710 HydrophobicContact CG1-CB 4.02Å; N708-C710 PolarHBondContact O-N 3.3Å; C710-L714 PolarHBondContact O-N 3.37Å; C710-L714 VanDerWaalsContact O-N 3.12Å
711	L	81.5	Confident	63.5	Low	25 Å²	25	64.1 Å²	64.1	13%	0.131	37%	0.366	C	S	.	.	H	α-helix	trans	-69.2	-45.8	177.7	173.4	63.7	0	0	0	111.6	N708 N713 L714 L715 L745 A748	N708-L711 PolarHBondContact O-N 3.06Å; N708-L711 VanDerWaalsContact O-N 3.07Å; L711-N713 VanDerWaalsContact C-N 3.33Å; L711-N713 PolarHBondContact O-N 3.09Å; L711-L714 PolarHBondContact O-N 2.66Å; L711-L715 HydrophobicContact CD1-CD1 3.88Å; L711-L715 HydrophobicContact CD1-CG 3.97Å; L711-L715 HydrophobicContact CG-CD1 3.95Å; L711-L715 HydrophobicContact CG-CG 4.42Å; L711-L715 WeakPolarHBondContact O-CB 3.46Å; L711-L715 WeakPolarHBondContact O-CG 3.24Å; L711-L715 PolarHBondContact O-N 3.04Å; L711-L745 HydrophobicContact CD1-CD1 4.41Å; L711-L745 HydrophobicContact CD2-CD1 4.38Å; L711-A748 HydrophobicContact CD1-CB 3.54Å; L711-A748 HydrophobicContact CD2-CB 3.91Å; L711-A748 HydrophobicContact CG-CB 4.34Å
712	T	78.6	Confident	65.5	Low	73 Å²	73	61.1 Å²	61.1	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-44.6	176.8	-61.6	0	0	0	0	110.6	N708 L714 L715 Q716	N708-T712 WeakPolarHBondContact O-CB 3.47Å; N708-T712 PolarHBondContact O-N 3.34Å; N708-T712 PolarHBondContact O-OG1 2.81Å; N708-T712 VanDerWaalsContact O-OG1 3.12Å; T712-L714 PolarHBondContact O-N 2.76Å; T712-L715 PolarHBondContact O-N 3.46Å; T712-Q716 WeakPolarHBondContact O-CB 3.19Å; T712-Q716 PolarHBondContact O-N 2.96Å
713	N	78.7	Confident	67.8	Low	40 Å²	40	52.7 Å²	52.7	21%	0.214	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-40	176.4	-70.8	-1.8	0	0	0	112.2	L673 S709 L711 Q716 C717	L673-N713 HydrophobicContact CD1-CB 3.9Å; L673-N713 HydrophobicContact CD2-CB 4.09Å; S709-N713 WeakPolarHBondContact O-CB 3.38Å; S709-N713 VanDerWaalsContact O-CG 3.24Å; S709-N713 PolarHBondContact O-N 3.21Å; S709-N713 PolarHBondContact O-OD1 3.38Å; L711-N713 VanDerWaalsContact C-N 3.33Å; L711-N713 PolarHBondContact O-N 3.09Å; N713-Q716 PolarHBondContact O-N 2.81Å; N713-C717 PolarHBondContact O-N 2.69Å; N713-C717 PolarHBondContact O-SG 3.5Å
714	L	83.5	Confident	70	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-48.8	177.7	-176.7	71.1	0	0	0	111.1	L673 L674 I677 C710 L711 T712 Q716 C717 I718 I723	L673-L714 HydrophobicContact CB-CB 4.42Å; L673-L714 HydrophobicContact CB-CD1 4.25Å; L673-L714 HydrophobicContact CD1-CB 4.06Å; L673-L714 HydrophobicContact CD1-CD1 4.37Å; L674-L714 HydrophobicContact CD2-CD1 4.25Å; L674-L714 HydrophobicContact CD2-CD2 3.61Å; L674-L714 HydrophobicContact CG-CD1 4.25Å; L674-L714 HydrophobicContact CG-CD2 4.42Å; I677-L714 HydrophobicContact CD1-CB 4.33Å; I677-L714 HydrophobicContact CD1-CD2 3.73Å; C710-L714 PolarHBondContact O-N 3.37Å; C710-L714 VanDerWaalsContact O-N 3.12Å; L711-L714 PolarHBondContact O-N 2.66Å; T712-L714 PolarHBondContact O-N 2.76Å; L714-Q716 VanDerWaalsContact C-N 3.29Å; L714-Q716 PolarHBondContact O-N 2.69Å; L714-C717 WeakPolarHBondContact O-CB 3.4Å; L714-C717 PolarHBondContact O-N 3.27Å; L714-I718 HydrophobicContact CG-CD1 4.46Å; L714-I718 WeakPolarHBondContact O-CG1 3.12Å; L714-I718 PolarHBondContact O-N 3.09Å; L714-I718 VanDerWaalsContact O-N 3.09Å; L714-I723 HydrophobicContact CD1-CD1 3.8Å
715	L	82.2	Confident	72.3	Confident	27 Å²	27	50.2 Å²	50.2	14%	0.141	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-37.7	176	-69.6	174.9	0	0	0	111.4	L711 T712 I718 L719 C751 L752	L711-L715 HydrophobicContact CD1-CD1 3.88Å; L711-L715 HydrophobicContact CD1-CG 3.97Å; L711-L715 HydrophobicContact CG-CD1 3.95Å; L711-L715 HydrophobicContact CG-CG 4.42Å; L711-L715 WeakPolarHBondContact O-CB 3.46Å; L711-L715 WeakPolarHBondContact O-CG 3.24Å; L711-L715 PolarHBondContact O-N 3.04Å; T712-L715 PolarHBondContact O-N 3.46Å; L715-I718 PolarHBondContact O-N 3.19Å; L715-L719 WeakPolarHBondContact O-CB 3.22Å; L715-L719 WeakPolarHBondContact O-CD1 3.45Å; L715-L719 WeakPolarHBondContact O-CG 3.34Å; L715-L719 PolarHBondContact O-N 2.93Å; L715-C751 HydrophobicContact CD2-CB 4.36Å; L715-L752 HydrophobicContact CD2-CD2 3.98Å; L715-L752 HydrophobicContact CD2-CG 4.19Å
716	Q	76.9	Confident	74.5	Confident	61 Å²	61	46.7 Å²	46.7	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-70.3	-31.7	176.8	-169.2	163.8	-11.1	0	0	112.4	T712 N713 L714 I718 S720	T712-Q716 WeakPolarHBondContact O-CB 3.19Å; T712-Q716 PolarHBondContact O-N 2.96Å; N713-Q716 PolarHBondContact O-N 2.81Å; L714-Q716 VanDerWaalsContact C-N 3.29Å; L714-Q716 PolarHBondContact O-N 2.69Å; Q716-I718 VanDerWaalsContact C-N 3.35Å; Q716-S720 WeakPolarHBondContact O-CB 3.43Å; Q716-S720 PolarHBondContact O-N 3.14Å; Q716-S720 PolarHBondContact O-OG 3.49Å
717	C	77	Confident	76.6	Confident	14 Å²	14	46.2 Å²	46.2	10%	0.095	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-35.5	169.4	-67.2	0	0	0	0	112.4	N713 L714 S720 G721 L722 I723	N713-C717 PolarHBondContact O-N 2.69Å; N713-C717 PolarHBondContact O-SG 3.5Å; L714-C717 WeakPolarHBondContact O-CB 3.4Å; L714-C717 PolarHBondContact O-N 3.27Å; C717-S720 PolarHBondContact O-OG 2.75Å; C717-G721 PolarHBondContact O-N 3.43Å; C717-L722 HydrophobicContact CB-CB 4.46Å; C717-L722 PolarHBondContact O-N 2.76Å; C717-I723 HydrophobicContact CB-CD1 3.87Å; C717-I723 HydrophobicContact CB-CG1 3.92Å; C717-I723 PolarHBondContact O-N 3.01Å
718	I	78.6	Confident	78.2	Confident	18 Å²	18	45.4 Å²	45.4	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-71.5	-48.7	174.6	-65.9	166.6	0	0	0	110.5	L714 L715 Q716 S720 G721 I723 V725 L752	L714-I718 HydrophobicContact CG-CD1 4.46Å; L714-I718 WeakPolarHBondContact O-CG1 3.12Å; L714-I718 PolarHBondContact O-N 3.09Å; L714-I718 VanDerWaalsContact O-N 3.09Å; L715-I718 PolarHBondContact O-N 3.19Å; Q716-I718 VanDerWaalsContact C-N 3.35Å; I718-S720 VanDerWaalsContact C-N 3.26Å; I718-S720 PolarHBondContact O-N 3.45Å; I718-G721 PolarHBondContact O-N 2.84Å; I718-I723 HydrophobicContact CG1-CD1 3.89Å; I718-I723 HydrophobicContact CG1-CG1 3.72Å; I718-V725 HydrophobicContact CG2-CB 3.88Å; I718-V725 HydrophobicContact CG2-CG2 4.05Å; I718-L752 HydrophobicContact CD1-CD2 3.53Å
719	L	76	Confident	79.6	Confident	108 Å²	108	41.8 Å²	41.8	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-63.6	-28.4	-179.1	-73.1	165.6	0	0	0	113.5	L715 H755	L715-L719 WeakPolarHBondContact O-CB 3.22Å; L715-L719 WeakPolarHBondContact O-CD1 3.45Å; L715-L719 WeakPolarHBondContact O-CG 3.34Å; L715-L719 PolarHBondContact O-N 2.93Å; L719-H755 VanDerWaalsContact CD2-NE2 3.31Å; L719-H755 WeakPolarHBondContact CD2-NE2 3.22Å
720	S	73.4	Confident	80.1	Confident	70 Å²	70	42.3 Å²	42.3	49%	0.49	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.6	173.4	54.2	0	0	0	0	113.9	Q716 C717 I718 L722	Q716-S720 WeakPolarHBondContact O-CB 3.43Å; Q716-S720 PolarHBondContact O-N 3.14Å; Q716-S720 PolarHBondContact O-OG 3.49Å; C717-S720 PolarHBondContact O-OG 2.75Å; I718-S720 VanDerWaalsContact C-N 3.26Å; I718-S720 PolarHBondContact O-N 3.45Å; S720-L722 VanDerWaalsContact C-N 3.27Å; S720-L722 PolarHBondContact O-N 2.91Å; S720-L722 WeakPolarHBondContact OG-CD1 3.31Å; S720-L722 WeakPolarHBondContact OG-CG 3.32Å
721	G	72.6	Confident	79.9	Confident	60 Å²	60	45.6 Å²	45.6	62%	0.619	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	11.3	-178.5	0	0	0	0	0	115	C717 I718 I723	C717-G721 PolarHBondContact O-N 3.43Å; I718-G721 PolarHBondContact O-N 2.84Å; G721-I723 PolarHBondContact O-N 3.25Å
722	L	71.4	Confident	79.8	Confident	77 Å²	77	44.4 Å²	44.4	40%	0.403	27%	0.265	S	S	.	.	S	Bend	trans	-67.6	-25.8	176.8	-67.5	174	0	0	0	112.5	A666 C717 S720	A666-L722 HydrophobicContact CB-CB 4.15Å; C717-L722 HydrophobicContact CB-CB 4.46Å; C717-L722 PolarHBondContact O-N 2.76Å; S720-L722 VanDerWaalsContact C-N 3.27Å; S720-L722 PolarHBondContact O-N 2.91Å; S720-L722 WeakPolarHBondContact OG-CD1 3.31Å; S720-L722 WeakPolarHBondContact OG-CG 3.32Å
723	I	81.4	Confident	79.8	Confident	13 Å²	13	41 Å²	41	7%	0.067	24%	0.244	C	C	.	.	S	Bend	trans	-139.4	157.9	170.9	61.5	179.9	0	0	0	110.5	A666 A670 L714 C717 I718 G721 Y727	A666-I723 HydrophobicContact CB-CG2 4.47Å; A670-I723 HydrophobicContact CB-CD1 3.65Å; A670-I723 HydrophobicContact CB-CG2 3.87Å; L714-I723 HydrophobicContact CD1-CD1 3.8Å; C717-I723 HydrophobicContact CB-CD1 3.87Å; C717-I723 HydrophobicContact CB-CG1 3.92Å; C717-I723 PolarHBondContact O-N 3.01Å; I718-I723 HydrophobicContact CG1-CD1 3.89Å; I718-I723 HydrophobicContact CG1-CG1 3.72Å; G721-I723 PolarHBondContact O-N 3.25Å; I723-Y727 HydrophobicContact CB-CD2 4.3Å; I723-Y727 HydrophobicContact CB-CG 4.18Å; I723-Y727 HydrophobicContact CD1-CD1 4.47Å; I723-Y727 HydrophobicContact CD1-CG 4.44Å; I723-Y727 HydrophobicContact CG2-CD2 4.33Å; I723-Y727 HydrophobicContact CG2-CG 4.41Å
724	S	81.3	Confident	80.2	Confident	75 Å²	75	39 Å²	39	52%	0.524	23%	0.234	S	C	.	.			trans	-65.5	153.7	170.4	-171	0	0	0	0	111.2	D726 Y727	S724-D726 PolarHBondContact O-N 3.07Å; S724-D726 PolarHBondContact OG-N 3.44Å; S724-Y727 VanDerWaalsContact O-CB 3.27Å; S724-Y727 WeakPolarHBondContact O-CB 3.44Å; S724-Y727 PolarHBondContact O-N 3.47Å; S724-Y727 VanDerWaalsContact O-N 3.16Å
725	V	84.7	Confident	80.6	Confident	18 Å²	18	39 Å²	39	11%	0.109	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-39.9	171.1	67.2	0	0	0	0	111.1	I718 Y727 S736 L752 H755 A757	I718-V725 HydrophobicContact CG2-CB 3.88Å; I718-V725 HydrophobicContact CG2-CG2 4.05Å; V725-Y727 VanDerWaalsContact C-N 3.29Å; V725-Y727 PolarHBondContact O-N 3.07Å; V725-S736 WeakPolarHBondContact O-CB 3.49Å; V725-S736 PolarHBondContact O-OG 3.17Å; V725-L752 HydrophobicContact CG2-CB 4.42Å; V725-L752 HydrophobicContact CG2-CD2 3.72Å; V725-H755 HydrophobicContact CG2-CB 4.02Å; V725-A757 HydrophobicContact CG1-CB 4.5Å; V725-A757 HydrophobicContact CG2-CB 3.8Å
726	D	85.4	Confident	81	Confident	34 Å²	34	37.7 Å²	37.7	18%	0.182	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	36.4	175.4	-61.8	-54.3	0	0	0	112.9	S724 E728 A757 D758 M761	S724-D726 PolarHBondContact O-N 3.07Å; S724-D726 PolarHBondContact OG-N 3.44Å; D726-E728 PolarHBondContact O-N 3.15Å; D726-E728 VanDerWaalsContact O-N 3.13Å; D726-A757 VanDerWaalsContact OD1-CA 3.23Å; D726-A757 WeakPolarHBondContact OD1-CA 3.38Å; D726-A757 WeakPolarHBondContact OD1-CB 3.38Å; D726-D758 PolarHBondContact OD1-N 3.32Å; D726-D758 PolarHBondContact OD2-N 3.4Å; D726-M761 HydrophobicContact CB-SD 3.85Å
727	Y	87.4	Confident	81.7	Confident	25 Å²	25	34.8 Å²	34.8	10%	0.098	21%	0.213	C	C	.	.			trans	-62.7	115.5	174.2	-179.3	-100.6	0	0	0	111.2	K667 A670 N671 L674 I723 S724 V725 S730 T735 S736	K667-Y727 HydrophobicContact CB-CE2 4.41Å; K667-Y727 HydrophobicContact CG-CE2 3.9Å; K667-Y727 PolarHBondContact O-OH 2.69Å; A670-Y727 HydrophobicContact CB-CD1 3.69Å; A670-Y727 HydrophobicContact CB-CE1 3.46Å; A670-Y727 VanDerWaalsContact CB-CE1 3.46Å; N671-Y727 VanDerWaalsContact OD1-CE1 3.31Å; N671-Y727 WeakPolarHBondContact OD1-CE1 3.48Å; N671-Y727 PolarHBondContact OD1-OH 2.89Å; L674-Y727 HydrophobicContact CD1-CD1 3.87Å; L674-Y727 HydrophobicContact CD1-CE1 4.19Å; I723-Y727 HydrophobicContact CB-CD2 4.3Å; I723-Y727 HydrophobicContact CB-CG 4.18Å; I723-Y727 HydrophobicContact CD1-CD1 4.47Å; I723-Y727 HydrophobicContact CD1-CG 4.44Å; I723-Y727 HydrophobicContact CG2-CD2 4.33Å; I723-Y727 HydrophobicContact CG2-CG 4.41Å; S724-Y727 VanDerWaalsContact O-CB 3.27Å; S724-Y727 WeakPolarHBondContact O-CB 3.44Å; S724-Y727 PolarHBondContact O-N 3.47Å; S724-Y727 VanDerWaalsContact O-N 3.16Å; V725-Y727 VanDerWaalsContact C-N 3.29Å; V725-Y727 PolarHBondContact O-N 3.07Å; Y727-S730 PolarHBondContact OH-OG 2.68Å; Y727-T735 WeakPolarHBondContact O-CA 3.3Å; Y727-S736 PolarHBondContact O-N 2.89Å
728	E	87	Confident	82.5	Confident	59 Å²	59	34.2 Å²	34.2	28%	0.276	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-76.5	130.2	172.3	-64	-172.3	-173.1	0	0	111.3	R581 D726 S730 G733 T735 M761	R581-E728 IonicContact CZ-OE2 2.71Å; R581-E728 IonicContact NH1-OE1 2.72Å; R581-E728 IonicContact NH1-OE2 3.47Å; R581-E728 PolarHBondContact NH1-OE2 3.02Å; R581-E728 IonicContact NH2-OE2 3.62Å; R581-E728 PolarHBondContact NH2-OE2 2.92Å; D726-E728 PolarHBondContact O-N 3.15Å; D726-E728 VanDerWaalsContact O-N 3.13Å; E728-S730 PolarHBondContact O-N 2.96Å; E728-G733 VanDerWaalsContact CG-O 3.31Å; E728-G733 WeakPolarHBondContact CG-O 3.12Å; E728-T735 HydrophobicContact CG-CG2 3.91Å; E728-M761 HydrophobicContact CG-CE 4.05Å; E728-M761 WeakPolarHBondContact OE1-CE 3.49Å
729	H	87.2	Confident	83.1	Confident	9 Å²	9	33.3 Å²	33.3	4%	0.042	20%	0.204	C	C	.	.			trans	-59.6	121	168.1	179.1	-79.2	0	0	0	109.9	W588 N671 L674 D731 S732 G733 L734	W588-H729 AromaticContact CZ2-CG 3.96Å; W588-H729 AromaticContact NE1-CE1 3.4Å; W588-H729 PolarHBondContact NE1-CE1 2.79Å; W588-H729 AromaticContact NE1-ND1 3.69Å; W588-H729 AromaticContact NE1-NE2 3.85Å; N671-H729 PolarHBondContact O-CD2 2.86Å; L674-H729 HydrophobicContact CB-CB 4.42Å; L674-H729 HydrophobicContact CD1-CB 3.89Å; H729-D731 VanDerWaalsContact C-N 3.31Å; H729-D731 IonicContact CE1-OD2 2.69Å; H729-D731 PolarHBondContact CE1-OD2 3.41Å; H729-D731 PolarHBondContact ND1-N 2.89Å; H729-D731 PolarHBondContact O-N 2.73Å; H729-D731 VanDerWaalsContact O-N 3.08Å; H729-S732 PolarHBondContact ND1-OG 2.63Å; H729-S732 PolarHBondContact O-N 3.09Å; H729-S732 VanDerWaalsContact O-N 3.13Å; H729-G733 PolarHBondContact O-N 2.98Å; H729-L734 PolarHBondContact N-O 2.88Å
730	S	79.3	Confident	83.9	Confident	65 Å²	65	28.2 Å²	28.2	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-38.3	-161.5	-51.5	0	0	0	0	115.1	N671 Y727 E728	N671-S730 WeakPolarHBondContact ND2-CB 3.38Å; N671-S730 PolarHBondContact ND2-OG 3.23Å; N671-S730 PolarHBondContact OD1-N 2.81Å; N671-S730 VanDerWaalsContact OD1-N 3.14Å; N671-S730 PolarHBondContact OD1-OG 2.89Å; Y727-S730 PolarHBondContact OH-OG 2.68Å; E728-S730 PolarHBondContact O-N 2.96Å
731	D	73.3	Confident	84.7	Confident	86 Å²	86	24.9 Å²	24.9	46%	0.46	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-27.8	-176.4	-52.1	-65.6	0	0	0	114	N584 H729	N584-D731 WeakPolarHBondContact CB-O 3.41Å; N584-D731 PolarHBondContact ND2-O 2.9Å; H729-D731 VanDerWaalsContact C-N 3.31Å; H729-D731 IonicContact CE1-OD2 2.69Å; H729-D731 PolarHBondContact CE1-OD2 3.41Å; H729-D731 PolarHBondContact ND1-N 2.89Å; H729-D731 PolarHBondContact O-N 2.73Å; H729-D731 VanDerWaalsContact O-N 3.08Å
732	S	79.8	Confident	85.5	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-24.4	-171.5	63.5	0	0	0	0	113	M585 H729 L734 V763	M585-S732 WeakPolarHBondContact CE-O 3.49Å; H729-S732 PolarHBondContact ND1-OG 2.63Å; H729-S732 PolarHBondContact O-N 3.09Å; H729-S732 VanDerWaalsContact O-N 3.13Å; S732-L734 VanDerWaalsContact C-N 3.29Å; S732-V763 VanDerWaalsContact O-CG1 3.25Å; S732-V763 WeakPolarHBondContact O-CG1 3.4Å
733	G	79.7	Confident	86.3	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.			trans	83.2	-6.1	-174.5	0	0	0	0	0	114.5	E728 H729 T735 V763	E728-G733 VanDerWaalsContact CG-O 3.31Å; E728-G733 WeakPolarHBondContact CG-O 3.12Å; H729-G733 PolarHBondContact O-N 2.98Å; G733-T735 PolarHBondContact O-N 3.17Å; G733-V763 WeakPolarHBondContact O-CG2 3.46Å
734	L	86.9	Confident	86.5	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.122	C	C	.	.			trans	-71.8	127.8	-175.6	-68.6	165.6	0	0	0	111.5	M585 W588 W678 H729 S732 M738 V739 V763 I765 L808	M585-L734 HydrophobicContact CE-CD1 3.73Å; M585-L734 HydrophobicContact CE-CD2 3.98Å; M585-L734 HydrophobicContact CE-CG 3.6Å; M585-L734 HydrophobicContact SD-CD1 4.02Å; W588-L734 HydrophobicContact CE3-CD1 3.6Å; W588-L734 HydrophobicContact CH2-CD1 4.02Å; W588-L734 HydrophobicContact CZ3-CD1 3.23Å; W678-L734 HydrophobicContact CH2-CD1 4.44Å; W678-L734 HydrophobicContact CZ3-CD1 4.39Å; H729-L734 PolarHBondContact N-O 2.88Å; S732-L734 VanDerWaalsContact C-N 3.29Å; L734-M738 HydrophobicContact CB-CB 4.43Å; L734-M738 HydrophobicContact CD2-CB 4.06Å; L734-M738 HydrophobicContact CD2-CG 4.4Å; L734-M738 HydrophobicContact CD2-SD 3.6Å; L734-M738 VanDerWaalsContact CD2-SD 3.6Å; L734-V739 HydrophobicContact CB-CG2 4.11Å; L734-V763 HydrophobicContact CD2-CB 4.22Å; L734-V763 HydrophobicContact CD2-CG1 4.43Å; L734-V763 HydrophobicContact CD2-CG2 4.24Å; L734-I765 HydrophobicContact CD2-CD1 4.12Å; L734-L808 HydrophobicContact CD2-CD1 3.96Å
735	T	90.6	Very high	86.9	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-78.8	162.9	-180	60.4	0	0	0	0	112.9	Y727 E728 G733 I737 M738 V739 M761	Y727-T735 WeakPolarHBondContact O-CA 3.3Å; E728-T735 HydrophobicContact CG-CG2 3.91Å; G733-T735 PolarHBondContact O-N 3.17Å; T735-I737 PolarHBondContact O-N 2.98Å; T735-I737 VanDerWaalsContact OG1-CG2 3.27Å; T735-I737 WeakPolarHBondContact OG1-CG2 3.49Å; T735-M738 WeakPolarHBondContact O-CB 3.05Å; T735-M738 PolarHBondContact O-N 3.18Å; T735-M738 WeakPolarHBondContact OG1-CG 3.45Å; T735-M738 PolarHBondContact OG1-N 2.84Å; T735-V739 PolarHBondContact O-N 3.26Å; T735-M761 HydrophobicContact CG2-CE 3.7Å; T735-M761 HydrophobicContact CG2-SD 3.73Å
736	S	90.7	Very high	87.1	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-45.5	-44.8	169.6	-54.5	0	0	0	0	113.1	V725 Y727 C740	V725-S736 WeakPolarHBondContact O-CB 3.49Å; V725-S736 PolarHBondContact O-OG 3.17Å; Y727-S736 PolarHBondContact O-N 2.89Å; S736-C740 WeakPolarHBondContact O-CB 3.45Å; S736-C740 PolarHBondContact O-N 3.05Å; S736-C740 PolarHBondContact O-SG 2.87Å
737	I	92.8	Very high	87.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.2	-38.7	-179.8	-171.8	164.3	0	0	0	112.1	T735 C740 S741 V749 L752 L753 A757 P759 A805 L821	T735-I737 PolarHBondContact O-N 2.98Å; T735-I737 VanDerWaalsContact OG1-CG2 3.27Å; T735-I737 WeakPolarHBondContact OG1-CG2 3.49Å; I737-C740 PolarHBondContact O-N 3.36Å; I737-S741 WeakPolarHBondContact O-CB 3.31Å; I737-S741 PolarHBondContact O-N 3.02Å; I737-S741 PolarHBondContact O-OG 2.87Å; I737-V749 HydrophobicContact CD1-CG1 4.2Å; I737-V749 HydrophobicContact CG1-CG1 4.24Å; I737-L752 HydrophobicContact CB-CD1 4.07Å; I737-L753 HydrophobicContact CD1-CD2 3.42Å; I737-L753 VanDerWaalsContact CD1-CD2 3.42Å; I737-L753 HydrophobicContact CD1-CG 3.75Å; I737-A757 HydrophobicContact CB-CB 4.3Å; I737-A757 HydrophobicContact CD1-CB 3.99Å; I737-A757 HydrophobicContact CG2-CB 4.37Å; I737-P759 HydrophobicContact CD1-CB 4.4Å; I737-A805 HydrophobicContact CG1-CB 4.28Å; I737-A805 HydrophobicContact CG2-CB 4.47Å; I737-L821 HydrophobicContact CD1-CD2 3.86Å; I737-L821 HydrophobicContact CG1-CD2 4.29Å
738	M	93.1	Very high	87	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-48	174.2	-75.3	174.5	178.6	0	0	112.4	L734 T735 S741 A742 M761 V763 A805 L808	L734-M738 HydrophobicContact CB-CB 4.43Å; L734-M738 HydrophobicContact CD2-CB 4.06Å; L734-M738 HydrophobicContact CD2-CG 4.4Å; L734-M738 HydrophobicContact CD2-SD 3.6Å; L734-M738 VanDerWaalsContact CD2-SD 3.6Å; T735-M738 WeakPolarHBondContact O-CB 3.05Å; T735-M738 PolarHBondContact O-N 3.18Å; T735-M738 WeakPolarHBondContact OG1-CG 3.45Å; T735-M738 PolarHBondContact OG1-N 2.84Å; M738-S741 PolarHBondContact O-N 3Å; M738-A742 PolarHBondContact O-N 3Å; M738-M761 HydrophobicContact CE-CB 4.06Å; M738-M761 WeakPolarHBondContact CE-O 3.28Å; M738-V763 HydrophobicContact CE-CG2 3.91Å; M738-V763 HydrophobicContact SD-CB 4.37Å; M738-V763 HydrophobicContact SD-CG2 3.6Å; M738-A805 HydrophobicContact CG-CB 3.98Å; M738-L808 HydrophobicContact CB-CD1 3.66Å; M738-L808 HydrophobicContact CG-CD1 4Å
739	V	91.2	Very high	87.2	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-43.6	179.4	174.1	0	0	0	0	111.1	W588 L674 I677 W678 L734 T735 S741 G743	W588-V739 HydrophobicContact CH2-CG2 4.11Å; L674-V739 HydrophobicContact CD2-CB 4.14Å; L674-V739 HydrophobicContact CD2-CG1 4.39Å; L674-V739 HydrophobicContact CD2-CG2 4.15Å; I677-V739 HydrophobicContact CB-CG1 3.99Å; I677-V739 HydrophobicContact CG2-CG1 3.7Å; W678-V739 HydrophobicContact CB-CG1 4.24Å; W678-V739 HydrophobicContact CE3-CG2 4.43Å; L734-V739 HydrophobicContact CB-CG2 4.11Å; T735-V739 PolarHBondContact O-N 3.26Å; V739-S741 VanDerWaalsContact C-N 3.31Å; V739-S741 PolarHBondContact O-N 3.2Å; V739-G743 PolarHBondContact O-N 3.11Å
740	C	91.9	Very high	87.2	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-33.5	175.5	-67.2	0	0	0	0	112.9	S736 I737 G743 G744 L745 A748 V749 L752	S736-C740 WeakPolarHBondContact O-CB 3.45Å; S736-C740 PolarHBondContact O-N 3.05Å; S736-C740 PolarHBondContact O-SG 2.87Å; I737-C740 PolarHBondContact O-N 3.36Å; C740-G743 PolarHBondContact O-N 3.12Å; C740-G744 PolarHBondContact O-N 3.02Å; C740-G744 VanDerWaalsContact O-N 3.08Å; C740-L745 HydrophobicContact CB-CB 4.16Å; C740-L745 HydrophobicContact CB-CD1 4.45Å; C740-L745 PolarHBondContact O-N 2.96Å; C740-A748 HydrophobicContact CB-CB 4.02Å; C740-V749 HydrophobicContact CB-CG2 3.82Å; C740-L752 HydrophobicContact CB-CD1 4.31Å
741	S	92.2	Very high	87.4	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-78.6	-35.8	-177.1	-57.6	0	0	0	0	113.2	I737 M738 V739 G743 V749 A805 N814 L821	I737-S741 WeakPolarHBondContact O-CB 3.31Å; I737-S741 PolarHBondContact O-N 3.02Å; I737-S741 PolarHBondContact O-OG 2.87Å; M738-S741 PolarHBondContact O-N 3Å; V739-S741 VanDerWaalsContact C-N 3.31Å; V739-S741 PolarHBondContact O-N 3.2Å; S741-G743 VanDerWaalsContact C-N 3.32Å; S741-V749 WeakPolarHBondContact OG-CG2 3.34Å; S741-A805 WeakPolarHBondContact CB-O 3.45Å; S741-N814 PolarHBondContact O-ND2 3.46Å; S741-L821 WeakPolarHBondContact OG-CD1 3.03Å
742	A	89.3	Confident	88.1	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.9	-38	163.4	0	0	0	0	0	111.2	W678 V682 R687 M738 G744 L808 F812 N814	W678-A742 HydrophobicContact CE3-CB 4.16Å; W678-A742 HydrophobicContact CH2-CB 4.21Å; W678-A742 HydrophobicContact CZ3-CB 3.46Å; W678-A742 VanDerWaalsContact CZ3-CB 3.46Å; V682-A742 HydrophobicContact CG1-CB 4.29Å; V682-A742 HydrophobicContact CG2-CB 3.67Å; R687-A742 PolarHBondContact NH2-O 3.07Å; M738-A742 PolarHBondContact O-N 3Å; A742-G744 VanDerWaalsContact C-N 3.32Å; A742-G744 PolarHBondContact O-N 2.94Å; A742-L808 HydrophobicContact CB-CB 4.2Å; A742-F812 HydrophobicContact CB-CD2 3.68Å; A742-F812 HydrophobicContact CB-CE2 4.03Å; A742-F812 HydrophobicContact CB-CG 4.47Å; A742-N814 VanDerWaalsContact C-ND2 3.34Å; A742-N814 PolarHBondContact O-ND2 2.73Å
743	G	86.3	Confident	88.4	Confident	8 Å²	8	15.9 Å²	15.9	8%	0.082	9%	0.09	C	C	.	.	H	α-helix	trans	-69.9	-18.5	-176.8	0	0	0	0	0	115.9	T681 R687 V739 C740 S741	T681-G743 VanDerWaalsContact OG1-CA 3.26Å; T681-G743 WeakPolarHBondContact OG1-CA 3.46Å; R687-G743 PolarHBondContact NH2-O 3.11Å; V739-G743 PolarHBondContact O-N 3.11Å; C740-G743 PolarHBondContact O-N 3.12Å; S741-G743 VanDerWaalsContact C-N 3.32Å
744	G	87	Confident	88.4	Confident	32 Å²	32	25.8 Å²	25.8	33%	0.33	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	17.5	-175.9	0	0	0	0	0	113.8	C740 A742 L746 N814	C740-G744 PolarHBondContact O-N 3.02Å; C740-G744 VanDerWaalsContact O-N 3.08Å; A742-G744 VanDerWaalsContact C-N 3.32Å; A742-G744 PolarHBondContact O-N 2.94Å; G744-L746 PolarHBondContact O-N 2.93Å; G744-L746 VanDerWaalsContact O-N 3.12Å; G744-N814 WeakPolarHBondContact CA-OD1 3.46Å
745	L	88.8	Confident	88.1	Confident	41 Å²	41	30.3 Å²	30.3	22%	0.215	15%	0.148	C	C	.	.			trans	-87.8	75.5	-173.1	-57.7	178.4	0	0	0	111.6	I677 T681 L711 C740 E747 A748 V749	I677-L745 HydrophobicContact CG2-CD1 3.78Å; T681-L745 HydrophobicContact CG2-CD1 4.37Å; T681-L745 HydrophobicContact CG2-CD2 4.32Å; L711-L745 HydrophobicContact CD1-CD1 4.41Å; L711-L745 HydrophobicContact CD2-CD1 4.38Å; C740-L745 HydrophobicContact CB-CB 4.16Å; C740-L745 HydrophobicContact CB-CD1 4.45Å; C740-L745 PolarHBondContact O-N 2.96Å; L745-E747 PolarHBondContact O-N 2.74Å; L745-A748 HydrophobicContact CB-CB 3.7Å; L745-A748 VanDerWaalsContact O-CB 3.31Å; L745-A748 WeakPolarHBondContact O-CB 3.43Å; L745-A748 PolarHBondContact O-N 3Å; L745-A748 VanDerWaalsContact O-N 3.09Å; L745-V749 PolarHBondContact O-N 3.42Å
746	L	88.6	Confident	87.3	Confident	30 Å²	30	32.6 Å²	32.6	16%	0.157	17%	0.171	C	C	.	.	H	α-helix	trans	-53.2	-50.7	-172.5	-179.3	69.4	0	0	0	114	G744 A748 V749 K750 E816 I817 L820	G744-L746 PolarHBondContact O-N 2.93Å; G744-L746 VanDerWaalsContact O-N 3.12Å; L746-A748 VanDerWaalsContact C-N 3.3Å; L746-A748 PolarHBondContact O-N 2.75Å; L746-V749 PolarHBondContact O-N 3.19Å; L746-K750 VanDerWaalsContact CD2-NZ 3.31Å; L746-K750 HydrophobicContact CG-CD 4.24Å; L746-K750 WeakPolarHBondContact O-CG 3.16Å; L746-K750 PolarHBondContact O-N 2.78Å; L746-E816 HydrophobicContact CD1-CG 3.99Å; L746-E816 VanDerWaalsContact CD2-CD 3.42Å; L746-E816 HydrophobicContact CD2-CG 4.32Å; L746-E816 VanDerWaalsContact CD2-OE1 3.23Å; L746-E816 WeakPolarHBondContact CD2-OE1 3.32Å; L746-I817 HydrophobicContact CB-CD1 4.43Å; L746-I817 HydrophobicContact CB-CG1 4.26Å; L746-I817 HydrophobicContact CD1-CG1 3.81Å; L746-L820 HydrophobicContact CD1-CD2 4.02Å
747	E	85.3	Confident	87	Confident	115 Å²	115	32.6 Å²	32.6	54%	0.537	17%	0.171	S	C	.	.	H	α-helix	trans	-69.5	-27.9	-179.6	-62.4	-48.8	123.7	0	0	112.6	L745 K750 C751	L745-E747 PolarHBondContact O-N 2.74Å; E747-K750 WeakPolarHBondContact OE1-CD 3.45Å; E747-K750 WeakPolarHBondContact OE1-CE 3.49Å; E747-K750 IonicContact OE1-NZ 2.67Å; E747-K750 PolarHBondContact OE1-NZ 2.94Å; E747-K750 WeakPolarHBondContact OE2-CD 3.49Å; E747-K750 IonicContact OE2-NZ 3.81Å; E747-C751 WeakPolarHBondContact O-CB 3.16Å; E747-C751 PolarHBondContact O-N 3.42Å
748	A	86.8	Confident	86.3	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-46.6	170.5	0	0	0	0	0	110.8	L711 C740 L745 L746 C751 L752	L711-A748 HydrophobicContact CD1-CB 3.54Å; L711-A748 HydrophobicContact CD2-CB 3.91Å; L711-A748 HydrophobicContact CG-CB 4.34Å; C740-A748 HydrophobicContact CB-CB 4.02Å; L745-A748 HydrophobicContact CB-CB 3.7Å; L745-A748 VanDerWaalsContact O-CB 3.31Å; L745-A748 WeakPolarHBondContact O-CB 3.43Å; L745-A748 PolarHBondContact O-N 3Å; L745-A748 VanDerWaalsContact O-N 3.09Å; L746-A748 VanDerWaalsContact C-N 3.3Å; L746-A748 PolarHBondContact O-N 2.75Å; A748-C751 WeakPolarHBondContact O-CB 3.45Å; A748-C751 PolarHBondContact O-N 3.44Å; A748-L752 WeakPolarHBondContact O-CB 3.47Å; A748-L752 VanDerWaalsContact O-CG 3.25Å; A748-L752 WeakPolarHBondContact O-CG 3.37Å; A748-L752 PolarHBondContact O-N 3.05Å
749	V	90.5	Very high	85.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-44	177.4	177.2	0	0	0	0	110.9	I737 C740 S741 L745 L746 C751 L752 L753 I817 L820 L821	I737-V749 HydrophobicContact CD1-CG1 4.2Å; I737-V749 HydrophobicContact CG1-CG1 4.24Å; C740-V749 HydrophobicContact CB-CG2 3.82Å; S741-V749 WeakPolarHBondContact OG-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.42Å; L746-V749 PolarHBondContact O-N 3.19Å; V749-C751 VanDerWaalsContact C-N 3.3Å; V749-C751 PolarHBondContact O-N 3.34Å; V749-L752 PolarHBondContact O-N 3.45Å; V749-L753 HydrophobicContact CG1-CD1 3.83Å; V749-L753 HydrophobicContact CG1-CG 4.23Å; V749-L753 WeakPolarHBondContact O-CB 3.28Å; V749-L753 VanDerWaalsContact O-CG 3.24Å; V749-L753 WeakPolarHBondContact O-CG 3.26Å; V749-L753 PolarHBondContact O-N 2.79Å; V749-I817 HydrophobicContact CB-CG2 4.45Å; V749-I817 HydrophobicContact CG1-CG2 4.2Å; V749-I817 HydrophobicContact CG2-CD1 4.23Å; V749-I817 HydrophobicContact CG2-CG2 4.05Å; V749-L820 HydrophobicContact CG1-CD2 4.06Å; V749-L821 HydrophobicContact CG1-CD2 3.78Å; V749-L821 HydrophobicContact CG1-CG 4.23Å
750	K	86.8	Confident	84.9	Confident	60 Å²	60	38.7 Å²	38.7	26%	0.261	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-39.9	172.5	-70.9	169.7	-177.4	167.3	0	112.2	L746 E747 R754 L820	L746-K750 VanDerWaalsContact CD2-NZ 3.31Å; L746-K750 HydrophobicContact CG-CD 4.24Å; L746-K750 WeakPolarHBondContact O-CG 3.16Å; L746-K750 PolarHBondContact O-N 2.78Å; E747-K750 WeakPolarHBondContact OE1-CD 3.45Å; E747-K750 WeakPolarHBondContact OE1-CE 3.49Å; E747-K750 IonicContact OE1-NZ 2.67Å; E747-K750 PolarHBondContact OE1-NZ 2.94Å; E747-K750 WeakPolarHBondContact OE2-CD 3.49Å; E747-K750 IonicContact OE2-NZ 3.81Å; K750-R754 VanDerWaalsContact O-CG 3.26Å; K750-R754 WeakPolarHBondContact O-CG 3.43Å; K750-R754 PolarHBondContact O-N 2.95Å; K750-L820 HydrophobicContact CG-CD2 3.61Å
751	C	83.9	Confident	83.8	Confident	32 Å²	32	40.8 Å²	40.8	22%	0.216	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-47.9	177.3	-169.6	0	0	0	0	111.7	L715 E747 A748 V749 R754 H755	L715-C751 HydrophobicContact CD2-CB 4.36Å; E747-C751 WeakPolarHBondContact O-CB 3.16Å; E747-C751 PolarHBondContact O-N 3.42Å; A748-C751 WeakPolarHBondContact O-CB 3.45Å; A748-C751 PolarHBondContact O-N 3.44Å; V749-C751 VanDerWaalsContact C-N 3.3Å; V749-C751 PolarHBondContact O-N 3.34Å; C751-R754 WeakPolarHBondContact O-CB 3.5Å; C751-R754 PolarHBondContact O-N 3.34Å; C751-H755 PolarHBondContact O-N 3.42Å; C751-H755 VanDerWaalsContact O-N 3.13Å; C751-H755 PolarHBondContact O-ND1 3.35Å
752	L	88.5	Confident	82.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-46.4	179.3	-69.4	168.4	0	0	0	111.5	L715 I718 V725 I737 C740 A748 V749 R754 H755 G756 A757	L715-L752 HydrophobicContact CD2-CD2 3.98Å; L715-L752 HydrophobicContact CD2-CG 4.19Å; I718-L752 HydrophobicContact CD1-CD2 3.53Å; V725-L752 HydrophobicContact CG2-CB 4.42Å; V725-L752 HydrophobicContact CG2-CD2 3.72Å; I737-L752 HydrophobicContact CB-CD1 4.07Å; C740-L752 HydrophobicContact CB-CD1 4.31Å; A748-L752 WeakPolarHBondContact O-CB 3.47Å; A748-L752 VanDerWaalsContact O-CG 3.25Å; A748-L752 WeakPolarHBondContact O-CG 3.37Å; A748-L752 PolarHBondContact O-N 3.05Å; V749-L752 PolarHBondContact O-N 3.45Å; L752-R754 VanDerWaalsContact C-N 3.28Å; L752-R754 PolarHBondContact O-N 3.11Å; L752-H755 CarbonylContact O-C 3.54Å; L752-H755 PolarHBondContact O-N 2.88Å; L752-G756 PolarHBondContact O-N 2.76Å; L752-A757 HydrophobicContact CB-CB 3.84Å; L752-A757 VanDerWaalsContact O-CB 3.28Å; L752-A757 WeakPolarHBondContact O-CB 3.19Å; L752-A757 PolarHBondContact O-N 3.27Å
753	L	86.4	Confident	81.9	Confident	12 Å²	12	44.6 Å²	44.6	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-31.6	176.1	-69.8	174.1	0	0	0	113.2	I737 V749 G756 P759 L820 L821 Y824	I737-L753 HydrophobicContact CD1-CD2 3.42Å; I737-L753 VanDerWaalsContact CD1-CD2 3.42Å; I737-L753 HydrophobicContact CD1-CG 3.75Å; V749-L753 HydrophobicContact CG1-CD1 3.83Å; V749-L753 HydrophobicContact CG1-CG 4.23Å; V749-L753 WeakPolarHBondContact O-CB 3.28Å; V749-L753 VanDerWaalsContact O-CG 3.24Å; V749-L753 WeakPolarHBondContact O-CG 3.26Å; V749-L753 PolarHBondContact O-N 2.79Å; L753-G756 PolarHBondContact O-N 2.93Å; L753-P759 HydrophobicContact CD2-CG 4.11Å; L753-L820 HydrophobicContact CD1-CD2 4.25Å; L753-L820 HydrophobicContact CD1-CG 4.12Å; L753-L821 HydrophobicContact CD1-CD2 4.23Å; L753-L821 HydrophobicContact CD2-CD2 4.44Å; L753-Y824 HydrophobicContact CB-CD2 4.06Å; L753-Y824 HydrophobicContact CB-CE2 3.8Å; L753-Y824 HydrophobicContact CD1-CD2 3.94Å; L753-Y824 HydrophobicContact CD1-CG 4.18Å; L753-Y824 HydrophobicContact CD2-CD1 3.81Å; L753-Y824 HydrophobicContact CD2-CD2 3.81Å; L753-Y824 HydrophobicContact CD2-CE1 3.85Å; L753-Y824 HydrophobicContact CD2-CE2 3.84Å; L753-Y824 HydrophobicContact CD2-CG 3.77Å; L753-Y824 HydrophobicContact CG-CD2 4.16Å; L753-Y824 HydrophobicContact CG-CE2 4.26Å; L753-Y824 HydrophobicContact CG-CG 4.48Å; L753-Y824 PolarHBondContact O-OH 2.89Å
754	R	79.8	Confident	81.2	Confident	207 Å²	207	44.7 Å²	44.7	78%	0.781	23%	0.226	S	C	*	.	H	α-helix	trans	-71.8	-28.2	172.7	-76.9	174.4	-176.7	178.4	3.5	113.1	K750 C751 L752 G756	K750-R754 VanDerWaalsContact O-CG 3.26Å; K750-R754 WeakPolarHBondContact O-CG 3.43Å; K750-R754 PolarHBondContact O-N 2.95Å; C751-R754 WeakPolarHBondContact O-CB 3.5Å; C751-R754 PolarHBondContact O-N 3.34Å; L752-R754 VanDerWaalsContact C-N 3.28Å; L752-R754 PolarHBondContact O-N 3.11Å; R754-G756 VanDerWaalsContact C-N 3.3Å
755	H	78.9	Confident	80.5	Confident	96 Å²	96	43.2 Å²	43.2	44%	0.444	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.6	175.1	-66.7	91.7	0	0	0	113.2	L719 V725 C751 L752	L719-H755 VanDerWaalsContact CD2-NE2 3.31Å; L719-H755 WeakPolarHBondContact CD2-NE2 3.22Å; V725-H755 HydrophobicContact CG2-CB 4.02Å; C751-H755 PolarHBondContact O-N 3.42Å; C751-H755 VanDerWaalsContact O-N 3.13Å; C751-H755 PolarHBondContact O-ND1 3.35Å; L752-H755 CarbonylContact O-C 3.54Å; L752-H755 PolarHBondContact O-N 2.88Å
756	G	75.3	Confident	79.8	Confident	47 Å²	47	41.3 Å²	41.3	49%	0.485	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	15.9	171.9	0	0	0	0	0	115.8	L752 L753 R754	L752-G756 PolarHBondContact O-N 2.76Å; L753-G756 PolarHBondContact O-N 2.93Å; R754-G756 VanDerWaalsContact C-N 3.3Å
757	A	82.7	Confident	79.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.			trans	-56.1	139.6	176	0	0	0	0	0	112.7	V725 D726 I737 L752 P759	V725-A757 HydrophobicContact CG1-CB 4.5Å; V725-A757 HydrophobicContact CG2-CB 3.8Å; D726-A757 VanDerWaalsContact OD1-CA 3.23Å; D726-A757 WeakPolarHBondContact OD1-CA 3.38Å; D726-A757 WeakPolarHBondContact OD1-CB 3.38Å; I737-A757 HydrophobicContact CB-CB 4.3Å; I737-A757 HydrophobicContact CD1-CB 3.99Å; I737-A757 HydrophobicContact CG2-CB 4.37Å; L752-A757 HydrophobicContact CB-CB 3.84Å; L752-A757 VanDerWaalsContact O-CB 3.28Å; L752-A757 WeakPolarHBondContact O-CB 3.19Å; L752-A757 PolarHBondContact O-N 3.27Å; A757-P759 VanDerWaalsContact O-CD 3.24Å; A757-P759 WeakPolarHBondContact O-CD 3.15Å
758	D	78.5	Confident	78.5	Confident	58 Å²	58	40.9 Å²	40.9	31%	0.31	20%	0.196	S	C	.	.			trans	-95.5	107.6	-179.7	-178	18.6	0	0	0	112.9	D726 F760 M761	D726-D758 PolarHBondContact OD1-N 3.32Å; D726-D758 PolarHBondContact OD2-N 3.4Å; D758-F760 VanDerWaalsContact C-N 3.31Å; D758-F760 PolarHBondContact O-N 3.08Å; D758-F760 VanDerWaalsContact OD1-CB 3.27Å; D758-F760 WeakPolarHBondContact OD1-CB 3.5Å; D758-F760 WeakPolarHBondContact OD1-CD2 3.43Å; D758-F760 PolarHBondContact OD1-N 3.1Å; D758-M761 HydrophobicContact CB-CG 4.01Å; D758-M761 HydrophobicContact CB-SD 4.39Å; D758-M761 WeakPolarHBondContact OD2-CG 3.39Å
759	P	80.2	Confident	77.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.6	173.8	33.9	-36	0	0	0	114.3	I737 L753 A757 L821 Y824 M825	I737-P759 HydrophobicContact CD1-CB 4.4Å; L753-P759 HydrophobicContact CD2-CG 4.11Å; A757-P759 VanDerWaalsContact O-CD 3.24Å; A757-P759 WeakPolarHBondContact O-CD 3.15Å; P759-L821 HydrophobicContact CB-CD2 3.87Å; P759-Y824 HydrophobicContact CG-CD1 3.56Å; P759-Y824 HydrophobicContact CG-CE1 3.99Å; P759-Y824 HydrophobicContact CG-CG 4.48Å; P759-M825 HydrophobicContact CB-CG 3.82Å; P759-M825 HydrophobicContact CB-SD 4.17Å; P759-M825 HydrophobicContact CG-CG 3.6Å
760	F	74.5	Confident	77.2	Confident	70 Å²	70	41.7 Å²	41.7	31%	0.307	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.1	174.3	-59.8	-67.3	0	0	0	113.7	D758 R762 M825 S829	D758-F760 VanDerWaalsContact C-N 3.31Å; D758-F760 PolarHBondContact O-N 3.08Å; D758-F760 VanDerWaalsContact OD1-CB 3.27Å; D758-F760 WeakPolarHBondContact OD1-CB 3.5Å; D758-F760 WeakPolarHBondContact OD1-CD2 3.43Å; D758-F760 PolarHBondContact OD1-N 3.1Å; F760-R762 PolarHBondContact O-N 3.06Å; F760-M825 HydrophobicContact CD1-CB 4.25Å; F760-M825 HydrophobicContact CD1-CE 3.77Å; F760-M825 HydrophobicContact CD1-CG 4.06Å; F760-M825 HydrophobicContact CE1-CB 3.57Å; F760-M825 HydrophobicContact CE1-CE 4.21Å; F760-M825 HydrophobicContact CE1-CG 3.85Å; F760-M825 HydrophobicContact CZ-CB 4.04Å; F760-M825 HydrophobicContact CZ-CG 4.36Å; F760-M825 VanDerWaalsContact CZ-O 3.22Å; F760-M825 WeakPolarHBondContact CZ-O 3.09Å; F760-S829 WeakPolarHBondContact CE1-OG 3.33Å; F760-S829 VanDerWaalsContact CZ-OG 3.26Å; F760-S829 WeakPolarHBondContact CZ-OG 3.29Å
761	M	70	Confident	76.6	Confident	45 Å²	45	42.8 Å²	42.8	22%	0.222	21%	0.209	C	C	.	.			trans	-50	133.4	172.4	-67.7	-173.6	71.1	0	0	109.8	D726 E728 T735 M738 D758	D726-M761 HydrophobicContact CB-SD 3.85Å; E728-M761 HydrophobicContact CG-CE 4.05Å; E728-M761 WeakPolarHBondContact OE1-CE 3.49Å; T735-M761 HydrophobicContact CG2-CE 3.7Å; T735-M761 HydrophobicContact CG2-SD 3.73Å; M738-M761 HydrophobicContact CE-CB 4.06Å; M738-M761 WeakPolarHBondContact CE-O 3.28Å; D758-M761 HydrophobicContact CB-CG 4.01Å; D758-M761 HydrophobicContact CB-SD 4.39Å; D758-M761 WeakPolarHBondContact OD2-CG 3.39Å
762	R	69.2	Low	76	Confident	75 Å²	75	43.8 Å²	43.8	28%	0.283	23%	0.225	S	C	.	.			trans	-119.9	132.5	174.9	-76.8	-175	-176.1	-116.6	14.7	109.1	F760 F784 G802 V803 T804	F760-R762 PolarHBondContact O-N 3.06Å; R762-F784 PolarHBondContact NH1-O 2.91Å; R762-F784 PolarHBondContact NH2-O 2.9Å; R762-G802 PolarHBondContact NH1-O 2.96Å; R762-V803 WeakPolarHBondContact CA-O 3.25Å; R762-T804 HydrophobicContact CG-CG2 3.44Å; R762-T804 VanDerWaalsContact CG-CG2 3.44Å
763	V	72	Confident	75.2	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.8	170.1	178.8	0	0	0	0	108.6	M585 S732 G733 L734 M738 I765 G802 V803	M585-V763 HydrophobicContact CE-CB 4.45Å; M585-V763 HydrophobicContact CE-CG1 3.38Å; S732-V763 VanDerWaalsContact O-CG1 3.25Å; S732-V763 WeakPolarHBondContact O-CG1 3.4Å; G733-V763 WeakPolarHBondContact O-CG2 3.46Å; L734-V763 HydrophobicContact CD2-CB 4.22Å; L734-V763 HydrophobicContact CD2-CG1 4.43Å; L734-V763 HydrophobicContact CD2-CG2 4.24Å; M738-V763 HydrophobicContact CE-CG2 3.91Å; M738-V763 HydrophobicContact SD-CB 4.37Å; M738-V763 HydrophobicContact SD-CG2 3.6Å; V763-I765 HydrophobicContact CB-CG1 4.45Å; V763-I765 HydrophobicContact CG1-CG1 4.34Å; V763-I765 WeakPolarHBondContact O-CG1 3.37Å; V763-I765 PolarHBondContact O-N 3.49Å; V763-G802 CarbonylContact O-C 3.46Å; V763-G802 WeakPolarHBondContact O-CA 3.36Å; V763-V803 PolarHBondContact N-O 3.07Å; V763-V803 PolarHBondContact O-N 2.94Å
764	A	70.7	Confident	74.2	Confident	11 Å²	11	46.2 Å²	46.2	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.7	176.6	0	0	0	0	0	109.9	C582 I800	C582-A764 WeakPolarHBondContact SG-CB 3.11Å; A764-I800 HydrophobicContact CB-CG2 3.85Å
765	I	73.4	Confident	73	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.1	-172.4	-49.8	-161	0	0	0	110.5	M585 L589 L734 V763 Y767 L770 V801 V803 L808	M585-I765 HydrophobicContact CE-CD1 4.01Å; M585-I765 HydrophobicContact CE-CG1 3.93Å; M585-I765 HydrophobicContact CG-CB 4.22Å; M585-I765 HydrophobicContact CG-CG1 4.24Å; M585-I765 HydrophobicContact CG-CG2 3.82Å; M585-I765 HydrophobicContact SD-CD1 4.35Å; M585-I765 HydrophobicContact SD-CG1 4.38Å; M585-I765 HydrophobicContact SD-CG2 4.28Å; L589-I765 HydrophobicContact CD1-CG2 3.53Å; L589-I765 HydrophobicContact CD2-CG2 4.23Å; L589-I765 HydrophobicContact CG-CG2 4.39Å; L734-I765 HydrophobicContact CD2-CD1 4.12Å; V763-I765 HydrophobicContact CB-CG1 4.45Å; V763-I765 HydrophobicContact CG1-CG1 4.34Å; V763-I765 WeakPolarHBondContact O-CG1 3.37Å; V763-I765 PolarHBondContact O-N 3.49Å; I765-Y767 PolarHBondContact O-N 3.49Å; I765-L770 HydrophobicContact CB-CD2 4.39Å; I765-L770 HydrophobicContact CG2-CB 4.18Å; I765-L770 HydrophobicContact CG2-CD1 4.31Å; I765-L770 HydrophobicContact CG2-CD2 3.97Å; I765-L770 HydrophobicContact CG2-CG 4.39Å; I765-V801 PolarHBondContact N-O 2.68Å; I765-V801 WeakPolarHBondContact O-CG2 3.43Å; I765-V801 PolarHBondContact O-N 2.77Å; I765-V803 HydrophobicContact CB-CB 4.47Å; I765-V803 HydrophobicContact CB-CG2 3.74Å; I765-V803 HydrophobicContact CD1-CB 3.61Å; I765-V803 HydrophobicContact CD1-CG1 4.05Å; I765-V803 HydrophobicContact CD1-CG2 3.81Å; I765-V803 HydrophobicContact CG1-CB 3.89Å; I765-V803 HydrophobicContact CG1-CG2 3.72Å; I765-L808 HydrophobicContact CD1-CD2 4.46Å
766	P	73.4	Confident	71.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	120.4	168.3	-25.7	36.5	0	0	0	111.9	C582 Y586 P769 L770 Y798	C582-P766 WeakPolarHBondContact O-CG 3Å; Y586-P766 HydrophobicContact CD2-CB 4.38Å; P766-P769 HydrophobicContact CB-CG 3.97Å; P766-L770 VanDerWaalsContact O-CB 3.3Å; P766-L770 WeakPolarHBondContact O-CB 3.37Å; P766-L770 PolarHBondContact O-N 2.71Å; P766-Y798 HydrophobicContact CB-CD2 3.87Å; P766-Y798 HydrophobicContact CB-CE2 3.93Å; P766-Y798 HydrophobicContact CB-CG 4.26Å; P766-Y798 HydrophobicContact CG-CD2 4.14Å; P766-Y798 HydrophobicContact CG-CE2 3.67Å
767	Y	74.1	Confident	70.5	Confident	56 Å²	56	55.4 Å²	55.4	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-44.7	-174.5	178.1	-104.6	0	0	0	112.3	I765 L770 I771 L783 K787 T799 V801	I765-Y767 PolarHBondContact O-N 3.49Å; Y767-L770 PolarHBondContact O-N 2.68Å; Y767-I771 HydrophobicContact CD1-CG1 4.2Å; Y767-I771 HydrophobicContact CD2-CG1 4.05Å; Y767-I771 HydrophobicContact CE1-CG1 3.98Å; Y767-I771 HydrophobicContact CE2-CD1 3.95Å; Y767-I771 HydrophobicContact CE2-CG1 3.84Å; Y767-I771 HydrophobicContact CG-CG1 4.23Å; Y767-I771 WeakPolarHBondContact O-CB 3.38Å; Y767-I771 VanDerWaalsContact O-CG1 3.25Å; Y767-I771 WeakPolarHBondContact O-CG1 3.31Å; Y767-I771 PolarHBondContact O-N 3.31Å; Y767-L783 HydrophobicContact CD2-CD1 3.84Å; Y767-L783 HydrophobicContact CE2-CD1 3.81Å; Y767-K787 HydrophobicContact CE2-CD 4.33Å; Y767-K787 PolarHBondContact OH-NZ 3.33Å; Y767-T799 WeakPolarHBondContact CB-O 3.49Å; Y767-T799 PolarHBondContact N-O 3.06Å; Y767-V801 HydrophobicContact CD2-CG1 3.77Å; Y767-V801 HydrophobicContact CD2-CG2 4.09Å; Y767-V801 HydrophobicContact CG-CG1 4.39Å
768	E	72.6	Confident	68.9	Low	80 Å²	80	58 Å²	58	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-47.4	-173.5	-65.4	77.1	-173.9	0	0	112.3	L770 G772 Y798 T799	E768-L770 PolarHBondContact O-N 3.03Å; E768-G772 PolarHBondContact O-N 3.35Å; E768-Y798 WeakPolarHBondContact OE2-CB 3.01Å; E768-T799 WeakPolarHBondContact OE1-CB 3.29Å; E768-T799 PolarHBondContact OE1-N 3.46Å; E768-T799 PolarHBondContact OE1-OG1 2.99Å; E768-T799 PolarHBondContact OE2-N 3.15Å
769	P	74.3	Confident	67.4	Low	18 Å²	18	64.5 Å²	64.5	12%	0.117	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-40.7	168.7	-26.8	36.2	0	0	0	114.3	Y586 L589 T590 P766 G772 L773	Y586-P769 HydrophobicContact CD2-CG 3.66Å; Y586-P769 HydrophobicContact CE2-CG 3.8Å; Y586-P769 HydrophobicContact CG-CG 4.31Å; L589-P769 HydrophobicContact CB-CB 4.05Å; L589-P769 HydrophobicContact CD1-CB 3.84Å; T590-P769 HydrophobicContact CG2-CB 3.84Å; T590-P769 HydrophobicContact CG2-CG 4.08Å; P766-P769 HydrophobicContact CB-CG 3.97Å; P769-G772 WeakPolarHBondContact O-CA 3.42Å; P769-G772 PolarHBondContact O-N 2.94Å; P769-G772 VanDerWaalsContact O-N 3.12Å; P769-L773 PolarHBondContact O-N 2.85Å
770	L	76.5	Confident	66	Low	1 Å²	1	71.7 Å²	71.7	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-44.5	-178.7	-177.1	65.6	0	0	0	111.9	L589 I765 P766 Y767 E768 G772 L773 A774 L783 V801 V803 L808 I811	L589-L770 HydrophobicContact CD2-CD1 4.27Å; I765-L770 HydrophobicContact CB-CD2 4.39Å; I765-L770 HydrophobicContact CG2-CB 4.18Å; I765-L770 HydrophobicContact CG2-CD1 4.31Å; I765-L770 HydrophobicContact CG2-CD2 3.97Å; I765-L770 HydrophobicContact CG2-CG 4.39Å; P766-L770 VanDerWaalsContact O-CB 3.3Å; P766-L770 WeakPolarHBondContact O-CB 3.37Å; P766-L770 PolarHBondContact O-N 2.71Å; Y767-L770 PolarHBondContact O-N 2.68Å; E768-L770 PolarHBondContact O-N 3.03Å; L770-G772 VanDerWaalsContact C-N 3.29Å; L770-G772 PolarHBondContact O-N 3.42Å; L770-L773 PolarHBondContact O-N 2.69Å; L770-A774 PolarHBondContact O-N 2.78Å; L770-L783 HydrophobicContact CD2-CD1 4.23Å; L770-V801 HydrophobicContact CD2-CG2 4.24Å; L770-V803 HydrophobicContact CD2-CG2 3.8Å; L770-L808 HydrophobicContact CD1-CD2 4.32Å; L770-I811 HydrophobicContact CD1-CD1 4.24Å; L770-I811 HydrophobicContact CD1-CG2 4.14Å; L770-I811 HydrophobicContact CD2-CD1 3.75Å; L770-I811 HydrophobicContact CG-CD1 4Å; L770-I811 HydrophobicContact CG-CG2 4.46Å
771	I	72.7	Confident	65	Low	83 Å²	83	71.7 Å²	71.7	43%	0.426	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-35.1	171.4	-66.9	-71.2	0	0	0	110.9	Y767 L773 A774	Y767-I771 HydrophobicContact CD1-CG1 4.2Å; Y767-I771 HydrophobicContact CD2-CG1 4.05Å; Y767-I771 HydrophobicContact CE1-CG1 3.98Å; Y767-I771 HydrophobicContact CE2-CD1 3.95Å; Y767-I771 HydrophobicContact CE2-CG1 3.84Å; Y767-I771 HydrophobicContact CG-CG1 4.23Å; Y767-I771 WeakPolarHBondContact O-CB 3.38Å; Y767-I771 VanDerWaalsContact O-CG1 3.25Å; Y767-I771 WeakPolarHBondContact O-CG1 3.31Å; Y767-I771 PolarHBondContact O-N 3.31Å; I771-L773 VanDerWaalsContact C-N 3.3Å; I771-L773 PolarHBondContact O-N 2.95Å; I771-A774 PolarHBondContact O-N 3.28Å
772	G	72.7	Confident	64.3	Low	54 Å²	54	77.3 Å²	77.3	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-62.7	-31	174.3	0	0	0	0	0	114.5	E768 P769 L770	E768-G772 PolarHBondContact O-N 3.35Å; P769-G772 WeakPolarHBondContact O-CA 3.42Å; P769-G772 PolarHBondContact O-N 2.94Å; P769-G772 VanDerWaalsContact O-N 3.12Å; L770-G772 VanDerWaalsContact C-N 3.29Å; L770-G772 PolarHBondContact O-N 3.42Å
773	L	71.3	Confident	63.7	Low	40 Å²	40	74.2 Å²	74.2	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-76.4	-29.3	173.6	-69.7	173.9	0	0	0	113.1	L589 L683 P769 L770 I771 R775 F812	L589-L773 HydrophobicContact CB-CD1 4.06Å; L589-L773 HydrophobicContact CD2-CD1 3.82Å; L683-L773 HydrophobicContact CD2-CD2 3.98Å; P769-L773 PolarHBondContact O-N 2.85Å; L770-L773 PolarHBondContact O-N 2.69Å; I771-L773 VanDerWaalsContact C-N 3.3Å; I771-L773 PolarHBondContact O-N 2.95Å; L773-R775 PolarHBondContact O-N 3.29Å; L773-F812 HydrophobicContact CB-CE1 4.15Å; L773-F812 HydrophobicContact CB-CZ 4.2Å; L773-F812 HydrophobicContact CD1-CZ 4.18Å
774	A	66.2	Low	62.5	Low	24 Å²	24	80.3 Å²	80.3	20%	0.198	39%	0.389	C	S	.	.	S	Bend	trans	-73.3	53.9	-176.3	0	0	0	0	0	113.8	L770 I771 K776 I811	L770-A774 PolarHBondContact O-N 2.78Å; I771-A774 PolarHBondContact O-N 3.28Å; A774-K776 PolarHBondContact O-N 2.95Å; A774-I811 HydrophobicContact CB-CG2 4.09Å
775	R	54.1	Low	61.2	Low	180 Å²	180	80.7 Å²	80.7	68%	0.679	39%	0.394	S	S	*	.			trans	-55.3	100.9	-160.5	-75.8	176.1	168.9	-166.4	-5.5	115.6	L773 Q777	L773-R775 PolarHBondContact O-N 3.29Å; R775-Q777 PolarHBondContact O-N 3.29Å
776	K	50.6	Low	59.6	Low	210 Å²	210	81.9 Å²	81.9	91%	0.913	40%	0.403	S	S	*	.	S	Bend	trans	74.5	0.2	152	-68.2	-170.3	172.1	-174.7	0	119.9	A774	A774-K776 PolarHBondContact O-N 2.95Å
777	Q	50.9	Low	58.5	Low	152 Å²	152	85.2 Å²	85.2	71%	0.71	42%	0.417	S	S	*	.			trans	-113.9	-30	-179	-55.1	-146.9	-65.8	0	0	115.6	R775 K779	R775-Q777 PolarHBondContact O-N 3.29Å; Q777-K779 PolarHBondContact O-N 2.89Å; Q777-K779 VanDerWaalsContact O-N 3.12Å
778	C	49	Very low	57.3	Low	54 Å²	54	86.4 Å²	86.4	37%	0.365	43%	0.427	S	S	.	.			trans	-81.3	88	178.5	-57.9	0	0	0	0	113	F781	C778-F781 HydrophobicContact CB-CB 4Å
779	K	46.6	Very low	56.3	Low	195 Å²	195	88.5 Å²	88.5	85%	0.848	43%	0.432	S	S	*	.	S	Bend	trans	-77.6	-32.6	170.9	-85.5	-166.8	172.7	-172.6	0	114	Q777	Q777-K779 PolarHBondContact O-N 2.89Å; Q777-K779 VanDerWaalsContact O-N 3.12Å
780	D	52.2	Low	55.3	Low	153 Å²	153	95.3 Å²	95.3	82%	0.818	46%	0.459	S	S	*	.	S	Bend	trans	-105.6	9.1	-166.7	-51	-58.7	0	0	0	113.8	K782	D780-K782 PolarHBondContact O-N 3.31Å; D780-K782 VanDerWaalsContact O-N 3.08Å
781	F	52.9	Low	54.3	Low	69 Å²	69	95.9 Å²	95.9	30%	0.303	46%	0.462	S	S	.	.			trans	-79.9	97.1	-171.2	-160	-94.4	0	0	0	113.2	C778 L783 C810 I811	C778-F781 HydrophobicContact CB-CB 4Å; F781-L783 HydrophobicContact CE1-CG 4.39Å; F781-L783 PolarHBondContact O-N 3.24Å; F781-C810 HydrophobicContact CD2-CB 4.41Å; F781-C810 HydrophobicContact CE1-CB 4.09Å; F781-C810 HydrophobicContact CE2-CB 3.44Å; F781-C810 VanDerWaalsContact CE2-CB 3.44Å; F781-C810 HydrophobicContact CZ-CB 3.24Å; F781-I811 HydrophobicContact CE1-CG1 4.38Å
782	K	54.7	Low	53.3	Low	163 Å²	163	95.6 Å²	95.6	71%	0.709	47%	0.468	S	S	*	.			trans	-74.9	99.3	168.2	-72.2	-176.2	178.6	178.6	0	110.5	D780 F784	D780-K782 PolarHBondContact O-N 3.31Å; D780-K782 VanDerWaalsContact O-N 3.08Å; K782-F784 WeakPolarHBondContact O-CD2 3.18Å; K782-F784 WeakPolarHBondContact O-CE2 3.25Å; K782-F784 PolarHBondContact O-N 3.49Å
783	L	56.5	Low	52.1	Low	10 Å²	10	94 Å²	94	5%	0.052	45%	0.447	C	S	.	.			trans	-53.9	125	161.5	-106.4	163	0	0	0	110.5	Y767 L770 F781 G785 V801 V803 D807 I811	Y767-L783 HydrophobicContact CD2-CD1 3.84Å; Y767-L783 HydrophobicContact CE2-CD1 3.81Å; L770-L783 HydrophobicContact CD2-CD1 4.23Å; F781-L783 HydrophobicContact CE1-CG 4.39Å; F781-L783 PolarHBondContact O-N 3.24Å; L783-G785 PolarHBondContact O-N 3.37Å; L783-V801 HydrophobicContact CD1-CG2 4.26Å; L783-V803 HydrophobicContact CD2-CG2 4.45Å; L783-D807 HydrophobicContact CD2-CB 4.09Å; L783-I811 HydrophobicContact CD1-CD1 4.13Å; L783-I811 HydrophobicContact CD2-CD1 4.1Å; L783-I811 HydrophobicContact CG-CD1 4.23Å
784	F	46.3	Very low	51.1	Low	132 Å²	132	98 Å²	98	58%	0.579	47%	0.473	S	S	*	.	S	Bend	trans	-93	85.1	-174.5	-74.7	-85.6	0	0	0	112.1	R762 K782	R762-F784 PolarHBondContact NH1-O 2.91Å; R762-F784 PolarHBondContact NH2-O 2.9Å; K782-F784 WeakPolarHBondContact O-CD2 3.18Å; K782-F784 WeakPolarHBondContact O-CE2 3.25Å; K782-F784 PolarHBondContact O-N 3.49Å
785	G	43.2	Very low	50.5	Low	19 Å²	19	104.6 Å²	104.6	20%	0.196	51%	0.505	C	S	.	.	S	Bend	trans	-173.5	177.5	172.7	0	0	0	0	0	111.1	L783	L783-G785 PolarHBondContact O-N 3.37Å
786	P	41.7	Very low	50.7	Low	27 Å²	27	101.1 Å²	101.1	18%	0.175	50%	0.497	C	S	.	.			trans	-66.1	138.9	176.9	-3.1	17.7	0	0	0	109.1	S846 W847	P786-S846 WeakPolarHBondContact CG-O 3.41Å; P786-W847 WeakPolarHBondContact CD-O 3.45Å; P786-W847 WeakPolarHBondContact CG-O 3.39Å
787	K	49.3	Very low	51.3	Low	70 Å²	70	97.2 Å²	97.2	30%	0.304	49%	0.486	S	S	.	.	S	Bend	trans	-108.1	25.4	176.8	-64.9	-165.9	177.4	-169.3	0	111.9	Y767 T799 V801	Y767-K787 HydrophobicContact CE2-CD 4.33Å; Y767-K787 PolarHBondContact OH-NZ 3.33Å; K787-T799 VanDerWaalsContact C-CG2 3.43Å; K787-T799 HydrophobicContact CB-CG2 4.26Å; K787-T799 WeakPolarHBondContact O-CG2 3.31Å; K787-V801 HydrophobicContact CG-CG1 4.27Å
788	D	49.7	Very low	52	Low	80 Å²	80	90.3 Å²	90.3	43%	0.428	45%	0.453	S	S	.	.			trans	-134	0.1	-160.6	-57.5	-86	0	0	0	113.4	K790 Q849	D788-K790 PolarHBondContact O-N 3.22Å; D788-Q849 HydrophobicContact CB-CG 4.25Å; D788-Q849 VanDerWaalsContact CB-NE2 3.31Å
789	R	51.8	Low	52.9	Low	125 Å²	125	88.7 Å²	88.7	47%	0.472	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	80.5	156.8	-73.7	-165.5	-175	-169.5	5.8	108.4	D578 I800	D578-R789 IonicContact OD2-CZ 2.75Å; D578-R789 IonicContact OD2-NH1 2.87Å; D578-R789 PolarHBondContact OD2-NH1 2.86Å; R789-I800 HydrophobicContact CB-CB 4.11Å; R789-I800 PolarHBondContact O-N 2.73Å
790	K	52.5	Low	53.8	Low	160 Å²	160	80 Å²	80	70%	0.696	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.8	168.2	-66.5	-174.9	179.4	-178.6	0	109.1	D788	D788-K790 PolarHBondContact O-N 3.22Å
791	M	54.9	Low	54.5	Low	13 Å²	13	72.8 Å²	72.8	6%	0.064	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.4	177.3	-160.9	-177.1	86	0	0	110.2	D579 C582 R583 T793 N797 Y798 I800	D579-M791 VanDerWaalsContact CA-SD 3.54Å; D579-M791 HydrophobicContact CB-SD 3.94Å; D579-M791 WeakPolarHBondContact O-CE 3.3Å; C582-M791 HydrophobicContact CB-CE 3.99Å; C582-M791 HydrophobicContact CB-SD 4.42Å; R583-M791 HydrophobicContact CG-CE 4.38Å; M791-T793 HydrophobicContact CE-CG2 3.68Å; M791-N797 WeakPolarHBondContact O-CA 3.23Å; M791-Y798 HydrophobicContact CB-CE2 4.47Å; M791-Y798 HydrophobicContact CE-CE2 3.84Å; M791-Y798 VanDerWaalsContact CE-OH 3.26Å; M791-Y798 WeakPolarHBondContact CE-OH 3.36Å; M791-Y798 PolarHBondContact N-O 3.38Å; M791-Y798 PolarHBondContact O-N 3.13Å; M791-I800 HydrophobicContact CB-CD1 3.63Å; M791-I800 HydrophobicContact CB-CG1 4.39Å; M791-I800 HydrophobicContact CE-CD1 4.33Å; M791-I800 HydrophobicContact CG-CD1 4.19Å; M791-I800 HydrophobicContact SD-CD1 3.53Å; M791-I800 VanDerWaalsContact SD-CD1 3.53Å
792	S	52.1	Low	55.2	Low	78 Å²	78	70.5 Å²	70.5	55%	0.545	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.3	-177.7	50.3	0	0	0	0	111.2	N797	S792-N797 VanDerWaalsContact CB-OD1 3.32Å; S792-N797 WeakPolarHBondContact CB-OD1 3.34Å
793	T	48.1	Very low	56.1	Low	21 Å²	21	62.8 Å²	62.8	13%	0.129	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	85.7	174.3	52.6	0	0	0	0	110.3	R583 M791 D795 E796 Y798	R583-T793 HydrophobicContact CG-CG2 3.7Å; M791-T793 HydrophobicContact CE-CG2 3.68Å; T793-D795 PolarHBondContact O-N 2.83Å; T793-E796 PolarHBondContact N-O 2.87Å; T793-E796 PolarHBondContact O-N 3.46Å; T793-E796 PolarHBondContact OG1-O 2.84Å; T793-Y798 HydrophobicContact CG2-CD1 4.36Å; T793-Y798 HydrophobicContact CG2-CE1 3.4Å; T793-Y798 VanDerWaalsContact CG2-CE1 3.4Å; T793-Y798 WeakPolarHBondContact CG2-OH 3.18Å; T793-Y798 WeakPolarHBondContact OG1-CE1 3.5Å
794	T	49.6	Very low	57.3	Low	122 Å²	122	62.4 Å²	62.4	75%	0.748	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-43.4	171.5	40.2	0	0	0	0	117.8
795	D	54.4	Low	59.4	Low	164 Å²	164	56.1 Å²	56.1	88%	0.877	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-22.3	173.9	-72.6	-72.3	0	0	0	112.9	T793	T793-D795 PolarHBondContact O-N 2.83Å
796	E	56.9	Low	61.4	Low	107 Å²	107	57.6 Å²	57.6	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.3	178	-63.5	-166.5	150.3	0	0	112.1	Y586 T793	Y586-E796 PolarHBondContact OH-OE2 3.39Å; T793-E796 PolarHBondContact N-O 2.87Å; T793-E796 PolarHBondContact O-N 3.46Å; T793-E796 PolarHBondContact OG1-O 2.84Å
797	N	64.2	Low	63.4	Low	128 Å²	128	56.4 Å²	56.4	68%	0.684	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.8	166.9	-70.9	-59.3	0	0	0	108.4	M791 S792	M791-N797 WeakPolarHBondContact O-CA 3.23Å; S792-N797 VanDerWaalsContact CB-OD1 3.32Å; S792-N797 WeakPolarHBondContact CB-OD1 3.34Å
798	Y	65.4	Low	65.2	Low	6 Å²	6	53.1 Å²	53.1	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	161.7	175.7	59.8	-118.9	0	0	0	112.4	C582 R583 Y586 P766 E768 M791 T793 I800	C582-Y798 HydrophobicContact CB-CE2 4.41Å; C582-Y798 PolarHBondContact O-OH 3.44Å; R583-Y798 PolarHBondContact N-OH 3.13Å; Y586-Y798 AromaticContact CD2-CD1 3.72Å; Y586-Y798 HydrophobicContact CD2-CD1 3.72Å; Y586-Y798 AromaticContact CD2-CE1 3.51Å; Y586-Y798 HydrophobicContact CD2-CE1 3.51Å; Y586-Y798 AromaticContact CE2-CD1 3.93Å; Y586-Y798 HydrophobicContact CE2-CD1 3.93Å; Y586-Y798 HydrophobicContact CE2-CE1 4.09Å; Y586-Y798 HydrophobicContact CG-CE1 4.29Å; P766-Y798 HydrophobicContact CB-CD2 3.87Å; P766-Y798 HydrophobicContact CB-CE2 3.93Å; P766-Y798 HydrophobicContact CB-CG 4.26Å; P766-Y798 HydrophobicContact CG-CD2 4.14Å; P766-Y798 HydrophobicContact CG-CE2 3.67Å; E768-Y798 WeakPolarHBondContact OE2-CB 3.01Å; M791-Y798 HydrophobicContact CB-CE2 4.47Å; M791-Y798 HydrophobicContact CE-CE2 3.84Å; M791-Y798 VanDerWaalsContact CE-OH 3.26Å; M791-Y798 WeakPolarHBondContact CE-OH 3.36Å; M791-Y798 PolarHBondContact N-O 3.38Å; M791-Y798 PolarHBondContact O-N 3.13Å; T793-Y798 HydrophobicContact CG2-CD1 4.36Å; T793-Y798 HydrophobicContact CG2-CE1 3.4Å; T793-Y798 VanDerWaalsContact CG2-CE1 3.4Å; T793-Y798 WeakPolarHBondContact CG2-OH 3.18Å; T793-Y798 WeakPolarHBondContact OG1-CE1 3.5Å; Y798-I800 HydrophobicContact CD2-CG1 4.19Å; Y798-I800 HydrophobicContact CE2-CD1 4.37Å; Y798-I800 HydrophobicContact CE2-CG1 4.01Å
799	T	67.5	Low	67.1	Low	20 Å²	20	49.3 Å²	49.3	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.4	-176.9	-53.2	0	0	0	0	109.3	Y767 E768 K787	Y767-T799 WeakPolarHBondContact CB-O 3.49Å; Y767-T799 PolarHBondContact N-O 3.06Å; E768-T799 WeakPolarHBondContact OE1-CB 3.29Å; E768-T799 PolarHBondContact OE1-N 3.46Å; E768-T799 PolarHBondContact OE1-OG1 2.99Å; E768-T799 PolarHBondContact OE2-N 3.15Å; K787-T799 VanDerWaalsContact C-CG2 3.43Å; K787-T799 HydrophobicContact CB-CG2 4.26Å; K787-T799 WeakPolarHBondContact O-CG2 3.31Å
800	I	65.7	Low	68.6	Low	13 Å²	13	44 Å²	44	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.7	176	-65.9	166.3	0	0	0	110	C582 A764 R789 M791 Y798	C582-I800 HydrophobicContact CB-CD1 3.97Å; C582-I800 HydrophobicContact CB-CG1 4.38Å; A764-I800 HydrophobicContact CB-CG2 3.85Å; R789-I800 HydrophobicContact CB-CB 4.11Å; R789-I800 PolarHBondContact O-N 2.73Å; M791-I800 HydrophobicContact CB-CD1 3.63Å; M791-I800 HydrophobicContact CB-CG1 4.39Å; M791-I800 HydrophobicContact CE-CD1 4.33Å; M791-I800 HydrophobicContact CG-CD1 4.19Å; M791-I800 HydrophobicContact SD-CD1 3.53Å; M791-I800 VanDerWaalsContact SD-CD1 3.53Å; Y798-I800 HydrophobicContact CD2-CG1 4.19Å; Y798-I800 HydrophobicContact CE2-CD1 4.37Å; Y798-I800 HydrophobicContact CE2-CG1 4.01Å
801	V	66.5	Low	70	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.6	169.6	-73.1	0	0	0	0	110	I765 Y767 L770 L783 K787 V803	I765-V801 PolarHBondContact N-O 2.68Å; I765-V801 WeakPolarHBondContact O-CG2 3.43Å; I765-V801 PolarHBondContact O-N 2.77Å; Y767-V801 HydrophobicContact CD2-CG1 3.77Å; Y767-V801 HydrophobicContact CD2-CG2 4.09Å; Y767-V801 HydrophobicContact CG-CG1 4.39Å; L770-V801 HydrophobicContact CD2-CG2 4.24Å; L783-V801 HydrophobicContact CD1-CG2 4.26Å; K787-V801 HydrophobicContact CG-CG1 4.27Å; V801-V803 HydrophobicContact CB-CG2 4.42Å; V801-V803 HydrophobicContact CG2-CG2 3.78Å
802	G	68.3	Low	71.3	Confident	21 Å²	21	37.1 Å²	37.1	22%	0.216	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.5	170.9	0	0	0	0	0	110.3	R762 V763	R762-G802 PolarHBondContact NH1-O 2.96Å; V763-G802 CarbonylContact O-C 3.46Å; V763-G802 WeakPolarHBondContact O-CA 3.36Å
803	V	73.4	Confident	72.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.7	-168	-173.6	0	0	0	0	110.6	R762 V763 I765 L770 L783 V801 D807 L808 I811	R762-V803 WeakPolarHBondContact CA-O 3.25Å; V763-V803 PolarHBondContact N-O 3.07Å; V763-V803 PolarHBondContact O-N 2.94Å; I765-V803 HydrophobicContact CB-CB 4.47Å; I765-V803 HydrophobicContact CB-CG2 3.74Å; I765-V803 HydrophobicContact CD1-CB 3.61Å; I765-V803 HydrophobicContact CD1-CG1 4.05Å; I765-V803 HydrophobicContact CD1-CG2 3.81Å; I765-V803 HydrophobicContact CG1-CB 3.89Å; I765-V803 HydrophobicContact CG1-CG2 3.72Å; L770-V803 HydrophobicContact CD2-CG2 3.8Å; L783-V803 HydrophobicContact CD2-CG2 4.45Å; V801-V803 HydrophobicContact CB-CG2 4.42Å; V801-V803 HydrophobicContact CG2-CG2 3.78Å; V803-D807 HydrophobicContact CB-CB 4.5Å; V803-D807 HydrophobicContact CG1-CB 3.52Å; V803-L808 HydrophobicContact CG1-CD2 3.96Å; V803-L808 HydrophobicContact CG1-CG 3.78Å; V803-I811 HydrophobicContact CG1-CD1 4.5Å
804	T	82.8	Confident	74.7	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	21%	0.205	C	C	.	.			trans	-88.8	172.2	175.4	63.2	0	0	0	0	112.6	R762 Y806 D807 L808 M825	R762-T804 HydrophobicContact CG-CG2 3.44Å; R762-T804 VanDerWaalsContact CG-CG2 3.44Å; T804-Y806 PolarHBondContact O-N 3.4Å; T804-Y806 PolarHBondContact OG1-N 3.43Å; T804-D807 WeakPolarHBondContact CB-OD2 3.15Å; T804-D807 PolarHBondContact N-OD2 3.4Å; T804-D807 PolarHBondContact O-N 3.29Å; T804-D807 VanDerWaalsContact OG1-CG 3.31Å; T804-D807 PolarHBondContact OG1-N 3.32Å; T804-D807 PolarHBondContact OG1-OD2 3.49Å; T804-L808 PolarHBondContact O-N 2.63Å; T804-L808 VanDerWaalsContact O-N 3.09Å; T804-M825 HydrophobicContact CG2-CE 4.01Å
805	A	88.5	Confident	76.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-33.5	166.6	0	0	0	0	0	112.5	I737 M738 S741 A809 L821	I737-A805 HydrophobicContact CG1-CB 4.28Å; I737-A805 HydrophobicContact CG2-CB 4.47Å; M738-A805 HydrophobicContact CG-CB 3.98Å; S741-A805 WeakPolarHBondContact CB-O 3.45Å; A805-A809 WeakPolarHBondContact O-CB 3.41Å; A805-A809 PolarHBondContact O-N 2.8Å; A805-L821 VanDerWaalsContact C-CD1 3.48Å; A805-L821 HydrophobicContact CB-CD1 3.92Å; A805-L821 HydrophobicContact CB-CD2 4.38Å; A805-L821 WeakPolarHBondContact O-CD1 3.47Å
806	Y	85.5	Confident	77.9	Confident	49 Å²	49	34.6 Å²	34.6	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-46.4	175.8	166.2	-102.8	0	0	0	111.9	T804 L808 A809 C810 A818 K822 M825	T804-Y806 PolarHBondContact O-N 3.4Å; T804-Y806 PolarHBondContact OG1-N 3.43Å; Y806-L808 VanDerWaalsContact C-N 3.3Å; Y806-L808 PolarHBondContact O-N 2.86Å; Y806-A809 WeakPolarHBondContact O-CB 3.41Å; Y806-A809 PolarHBondContact O-N 2.81Å; Y806-A809 VanDerWaalsContact O-N 3.15Å; Y806-C810 VanDerWaalsContact CE2-SG 3.57Å; Y806-C810 PolarHBondContact O-N 3.41Å; Y806-C810 PolarHBondContact O-SG 3.35Å; Y806-A818 HydrophobicContact CD2-CB 4.23Å; Y806-A818 VanDerWaalsContact CD2-O 3.25Å; Y806-A818 WeakPolarHBondContact CD2-O 3.27Å; Y806-A818 HydrophobicContact CE2-CB 4.07Å; Y806-A818 WeakPolarHBondContact CE2-O 3.48Å; Y806-K822 HydrophobicContact CD2-CB 3.88Å; Y806-K822 HydrophobicContact CE2-CB 3.65Å; Y806-K822 HydrophobicContact CE2-CD 4.24Å; Y806-K822 HydrophobicContact CE2-CG 4.21Å; Y806-M825 HydrophobicContact CG-SD 4.42Å
807	D	83.5	Confident	79.5	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-42.8	177.4	-63.3	-67.3	0	0	0	110.7	L783 V803 T804 C810 I811	L783-D807 HydrophobicContact CD2-CB 4.09Å; V803-D807 HydrophobicContact CB-CB 4.5Å; V803-D807 HydrophobicContact CG1-CB 3.52Å; T804-D807 WeakPolarHBondContact CB-OD2 3.15Å; T804-D807 PolarHBondContact N-OD2 3.4Å; T804-D807 PolarHBondContact O-N 3.29Å; T804-D807 VanDerWaalsContact OG1-CG 3.31Å; T804-D807 PolarHBondContact OG1-N 3.32Å; T804-D807 PolarHBondContact OG1-OD2 3.49Å; D807-C810 PolarHBondContact O-N 3.16Å; D807-I811 WeakPolarHBondContact O-CB 2.9Å; D807-I811 WeakPolarHBondContact O-CD1 3.42Å; D807-I811 WeakPolarHBondContact O-CG1 3.38Å; D807-I811 PolarHBondContact O-N 3.3Å
808	L	88.2	Confident	80.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-42.7	173.8	-72.1	172.8	0	0	0	112.8	L734 M738 A742 I765 L770 V803 T804 Y806 C810 I811 F812	L734-L808 HydrophobicContact CD2-CD1 3.96Å; M738-L808 HydrophobicContact CB-CD1 3.66Å; M738-L808 HydrophobicContact CG-CD1 4Å; A742-L808 HydrophobicContact CB-CB 4.2Å; I765-L808 HydrophobicContact CD1-CD2 4.46Å; L770-L808 HydrophobicContact CD1-CD2 4.32Å; V803-L808 HydrophobicContact CG1-CD2 3.96Å; V803-L808 HydrophobicContact CG1-CG 3.78Å; T804-L808 PolarHBondContact O-N 2.63Å; T804-L808 VanDerWaalsContact O-N 3.09Å; Y806-L808 VanDerWaalsContact C-N 3.3Å; Y806-L808 PolarHBondContact O-N 2.86Å; L808-C810 VanDerWaalsContact C-N 3.27Å; L808-C810 PolarHBondContact O-N 3.32Å; L808-I811 PolarHBondContact O-N 3.06Å; L808-F812 HydrophobicContact CD2-CD2 4.47Å; L808-F812 HydrophobicContact CD2-CE2 4.05Å; L808-F812 WeakPolarHBondContact O-CD2 3.34Å; L808-F812 PolarHBondContact O-N 2.94Å; L808-F812 VanDerWaalsContact O-N 3.08Å
809	A	88.6	Confident	81.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-39.9	176.7	0	0	0	0	0	111.8	A805 Y806 D813 N814 I817 A818 L821	A805-A809 WeakPolarHBondContact O-CB 3.41Å; A805-A809 PolarHBondContact O-N 2.8Å; Y806-A809 WeakPolarHBondContact O-CB 3.41Å; Y806-A809 PolarHBondContact O-N 2.81Å; Y806-A809 VanDerWaalsContact O-N 3.15Å; A809-D813 PolarHBondContact O-N 2.98Å; A809-N814 HydrophobicContact CB-CB 4.49Å; A809-N814 WeakPolarHBondContact O-CA 3.47Å; A809-N814 PolarHBondContact O-N 2.82Å; A809-I817 HydrophobicContact CB-CB 4.26Å; A809-I817 HydrophobicContact CB-CG2 3.93Å; A809-A818 HydrophobicContact CB-CB 3.96Å; A809-L821 HydrophobicContact CB-CD1 4.06Å
810	C	83.3	Confident	82.2	Confident	13 Å²	13	29.6 Å²	29.6	9%	0.088	16%	0.156	C	C	.	.	H	α-helix	trans	-69.5	-46.5	174.7	-67.5	0	0	0	0	113.1	F781 Y806 D807 L808 F812 D813 A818	F781-C810 HydrophobicContact CD2-CB 4.41Å; F781-C810 HydrophobicContact CE1-CB 4.09Å; F781-C810 HydrophobicContact CE2-CB 3.44Å; F781-C810 VanDerWaalsContact CE2-CB 3.44Å; F781-C810 HydrophobicContact CZ-CB 3.24Å; Y806-C810 VanDerWaalsContact CE2-SG 3.57Å; Y806-C810 PolarHBondContact O-N 3.41Å; Y806-C810 PolarHBondContact O-SG 3.35Å; D807-C810 PolarHBondContact O-N 3.16Å; L808-C810 VanDerWaalsContact C-N 3.27Å; L808-C810 PolarHBondContact O-N 3.32Å; C810-F812 PolarHBondContact O-N 3.24Å; C810-D813 PolarHBondContact O-N 2.67Å; C810-D813 VanDerWaalsContact O-N 3.1Å; C810-A818 VanDerWaalsContact SG-CB 3.59Å
811	I	81.6	Confident	83	Confident	10 Å²	10	29 Å²	29	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-30	-179	-75	165.3	0	0	0	112.4	L770 A774 F781 L783 V803 D807 L808	L770-I811 HydrophobicContact CD1-CD1 4.24Å; L770-I811 HydrophobicContact CD1-CG2 4.14Å; L770-I811 HydrophobicContact CD2-CD1 3.75Å; L770-I811 HydrophobicContact CG-CD1 4Å; L770-I811 HydrophobicContact CG-CG2 4.46Å; A774-I811 HydrophobicContact CB-CG2 4.09Å; F781-I811 HydrophobicContact CE1-CG1 4.38Å; L783-I811 HydrophobicContact CD1-CD1 4.13Å; L783-I811 HydrophobicContact CD2-CD1 4.1Å; L783-I811 HydrophobicContact CG-CD1 4.23Å; V803-I811 HydrophobicContact CG1-CD1 4.5Å; D807-I811 WeakPolarHBondContact O-CB 2.9Å; D807-I811 WeakPolarHBondContact O-CD1 3.42Å; D807-I811 WeakPolarHBondContact O-CG1 3.38Å; D807-I811 PolarHBondContact O-N 3.3Å; L808-I811 PolarHBondContact O-N 3.06Å
812	F	83.7	Confident	83.5	Confident	19 Å²	19	33.4 Å²	33.4	8%	0.083	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	22.7	178.2	-68.3	-71.4	0	0	0	113.8	W678 V682 R687 A742 L773 L808 C810 N814	W678-F812 HydrophobicContact CH2-CE2 4.04Å; W678-F812 HydrophobicContact CH2-CZ 4.29Å; V682-F812 HydrophobicContact CG1-CD1 3.87Å; V682-F812 HydrophobicContact CG1-CD2 4.22Å; V682-F812 HydrophobicContact CG1-CE1 3.46Å; V682-F812 VanDerWaalsContact CG1-CE1 3.46Å; V682-F812 HydrophobicContact CG1-CE2 3.86Å; V682-F812 HydrophobicContact CG1-CG 4.24Å; V682-F812 HydrophobicContact CG1-CZ 3.45Å; V682-F812 VanDerWaalsContact CG1-CZ 3.45Å; R687-F812 PolarHBondContact NH1-O 3.4Å; A742-F812 HydrophobicContact CB-CD2 3.68Å; A742-F812 HydrophobicContact CB-CE2 4.03Å; A742-F812 HydrophobicContact CB-CG 4.47Å; L773-F812 HydrophobicContact CB-CE1 4.15Å; L773-F812 HydrophobicContact CB-CZ 4.2Å; L773-F812 HydrophobicContact CD1-CZ 4.18Å; L808-F812 HydrophobicContact CD2-CD2 4.47Å; L808-F812 HydrophobicContact CD2-CE2 4.05Å; L808-F812 WeakPolarHBondContact O-CD2 3.34Å; L808-F812 PolarHBondContact O-N 2.94Å; L808-F812 VanDerWaalsContact O-N 3.08Å; C810-F812 PolarHBondContact O-N 3.24Å; F812-N814 PolarHBondContact O-N 3.14Å; F812-N814 VanDerWaalsContact O-N 3.1Å; F812-N814 PolarHBondContact O-OD1 3.47Å
813	D	83.3	Confident	83.5	Confident	89 Å²	89	35.1 Å²	35.1	48%	0.476	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	16.6	174.4	-91	-45	0	0	0	116.2	A809 C810 N815	A809-D813 PolarHBondContact O-N 2.98Å; C810-D813 PolarHBondContact O-N 2.67Å; C810-D813 VanDerWaalsContact O-N 3.1Å; D813-N815 PolarHBondContact O-N 2.77Å; D813-N815 PolarHBondContact O-ND2 2.95Å
814	N	88	Confident	83.4	Confident	23 Å²	23	38.2 Å²	38.2	12%	0.123	19%	0.19	C	C	.	.			trans	-80.7	58.4	-178.6	-53.8	-52	0	0	0	111.3	R687 S741 A742 G744 A809 F812 E816 I817 A818	R687-N814 PolarHBondContact NH1-OD1 3.39Å; R687-N814 PolarHBondContact NH2-OD1 2.83Å; S741-N814 PolarHBondContact O-ND2 3.46Å; A742-N814 VanDerWaalsContact C-ND2 3.34Å; A742-N814 PolarHBondContact O-ND2 2.73Å; G744-N814 WeakPolarHBondContact CA-OD1 3.46Å; A809-N814 HydrophobicContact CB-CB 4.49Å; A809-N814 WeakPolarHBondContact O-CA 3.47Å; A809-N814 PolarHBondContact O-N 2.82Å; F812-N814 PolarHBondContact O-N 3.14Å; F812-N814 VanDerWaalsContact O-N 3.1Å; F812-N814 PolarHBondContact O-OD1 3.47Å; N814-E816 VanDerWaalsContact C-N 3.28Å; N814-E816 PolarHBondContact O-N 2.82Å; N814-E816 VanDerWaalsContact O-N 3.11Å; N814-I817 HydrophobicContact CB-CB 4.32Å; N814-I817 HydrophobicContact CB-CD1 4.44Å; N814-I817 PolarHBondContact O-N 3.12Å; N814-A818 PolarHBondContact O-N 3.25Å
815	N	85.2	Confident	82.7	Confident	94 Å²	94	39.5 Å²	39.5	50%	0.503	20%	0.196	S	C	.	.	H	α-helix	trans	-54	-33	-168.7	-76.5	-80.9	0	0	0	115.3	D813 A818 N819	D813-N815 PolarHBondContact O-N 2.77Å; D813-N815 PolarHBondContact O-ND2 2.95Å; N815-A818 PolarHBondContact O-N 2.99Å; N815-N819 WeakPolarHBondContact O-CB 3.45Å; N815-N819 PolarHBondContact O-N 3.11Å; N815-N819 PolarHBondContact O-ND2 2.99Å
816	E	86.5	Confident	81	Confident	127 Å²	127	41.7 Å²	41.7	59%	0.593	21%	0.208	S	C	*	.	H	α-helix	trans	-68.4	-42.2	175.7	-170.2	179.1	-178.2	0	0	112	L746 N814 N819 L820	L746-E816 HydrophobicContact CD1-CG 3.99Å; L746-E816 VanDerWaalsContact CD2-CD 3.42Å; L746-E816 HydrophobicContact CD2-CG 4.32Å; L746-E816 VanDerWaalsContact CD2-OE1 3.23Å; L746-E816 WeakPolarHBondContact CD2-OE1 3.32Å; N814-E816 VanDerWaalsContact C-N 3.28Å; N814-E816 PolarHBondContact O-N 2.82Å; N814-E816 VanDerWaalsContact O-N 3.11Å; E816-N819 PolarHBondContact O-N 3.29Å; E816-L820 WeakPolarHBondContact O-CB 3.45Å; E816-L820 PolarHBondContact O-N 2.86Å
817	I	89.6	Confident	79.4	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-40	173.9	-62.9	179.7	0	0	0	110.2	L746 V749 A809 N814 N819 L820 L821	L746-I817 HydrophobicContact CB-CD1 4.43Å; L746-I817 HydrophobicContact CB-CG1 4.26Å; L746-I817 HydrophobicContact CD1-CG1 3.81Å; V749-I817 HydrophobicContact CB-CG2 4.45Å; V749-I817 HydrophobicContact CG1-CG2 4.2Å; V749-I817 HydrophobicContact CG2-CD1 4.23Å; V749-I817 HydrophobicContact CG2-CG2 4.05Å; A809-I817 HydrophobicContact CB-CB 4.26Å; A809-I817 HydrophobicContact CB-CG2 3.93Å; N814-I817 HydrophobicContact CB-CB 4.32Å; N814-I817 HydrophobicContact CB-CD1 4.44Å; N814-I817 PolarHBondContact O-N 3.12Å; I817-N819 VanDerWaalsContact C-N 3.31Å; I817-N819 PolarHBondContact O-N 3Å; I817-L820 PolarHBondContact O-N 3.21Å; I817-L821 HydrophobicContact CG2-CD1 3.58Å; I817-L821 HydrophobicContact CG2-CG 3.95Å; I817-L821 WeakPolarHBondContact O-CB 3.24Å; I817-L821 VanDerWaalsContact O-CG 3.29Å; I817-L821 WeakPolarHBondContact O-CG 3.26Å; I817-L821 PolarHBondContact O-N 2.94Å
818	A	85.1	Confident	78	Confident	3 Å²	3	41 Å²	41	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-45	174	0	0	0	0	0	111	Y806 A809 C810 N814 N815 K822	Y806-A818 HydrophobicContact CD2-CB 4.23Å; Y806-A818 VanDerWaalsContact CD2-O 3.25Å; Y806-A818 WeakPolarHBondContact CD2-O 3.27Å; Y806-A818 HydrophobicContact CE2-CB 4.07Å; Y806-A818 WeakPolarHBondContact CE2-O 3.48Å; A809-A818 HydrophobicContact CB-CB 3.96Å; C810-A818 VanDerWaalsContact SG-CB 3.59Å; N814-A818 PolarHBondContact O-N 3.25Å; N815-A818 PolarHBondContact O-N 2.99Å; A818-K822 WeakPolarHBondContact O-CA 3.17Å; A818-K822 WeakPolarHBondContact O-CB 3.05Å; A818-K822 PolarHBondContact O-N 2.88Å
819	N	80.6	Confident	76	Confident	97 Å²	97	44 Å²	44	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-67.4	-39.5	175.8	-74.7	-33.9	0	0	0	113	N815 E816 I817 T823	N815-N819 WeakPolarHBondContact O-CB 3.45Å; N815-N819 PolarHBondContact O-N 3.11Å; N815-N819 PolarHBondContact O-ND2 2.99Å; E816-N819 PolarHBondContact O-N 3.29Å; I817-N819 VanDerWaalsContact C-N 3.31Å; I817-N819 PolarHBondContact O-N 3Å; N819-T823 VanDerWaalsContact O-CB 3.32Å; N819-T823 WeakPolarHBondContact O-CB 3.23Å; N819-T823 PolarHBondContact O-N 3.09Å; N819-T823 PolarHBondContact O-OG1 2.78Å
820	L	87.7	Confident	73.7	Confident	51 Å²	51	45 Å²	45	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-61.8	-49.8	175.4	175	64.3	0	0	0	111.8	L746 V749 K750 L753 E816 I817 T823 Y824	L746-L820 HydrophobicContact CD1-CD2 4.02Å; V749-L820 HydrophobicContact CG1-CD2 4.06Å; K750-L820 HydrophobicContact CG-CD2 3.61Å; L753-L820 HydrophobicContact CD1-CD2 4.25Å; L753-L820 HydrophobicContact CD1-CG 4.12Å; E816-L820 WeakPolarHBondContact O-CB 3.45Å; E816-L820 PolarHBondContact O-N 2.86Å; I817-L820 PolarHBondContact O-N 3.21Å; L820-T823 PolarHBondContact O-N 3.49Å; L820-Y824 WeakPolarHBondContact O-CB 3.38Å; L820-Y824 PolarHBondContact O-N 3.37Å
821	L	83.6	Confident	71.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-44.1	178.7	-69.7	171.8	0	0	0	111.6	I737 S741 V749 L753 P759 A805 A809 I817 T823 Y824 M825	I737-L821 HydrophobicContact CD1-CD2 3.86Å; I737-L821 HydrophobicContact CG1-CD2 4.29Å; S741-L821 WeakPolarHBondContact OG-CD1 3.03Å; V749-L821 HydrophobicContact CG1-CD2 3.78Å; V749-L821 HydrophobicContact CG1-CG 4.23Å; L753-L821 HydrophobicContact CD1-CD2 4.23Å; L753-L821 HydrophobicContact CD2-CD2 4.44Å; P759-L821 HydrophobicContact CB-CD2 3.87Å; A805-L821 VanDerWaalsContact C-CD1 3.48Å; A805-L821 HydrophobicContact CB-CD1 3.92Å; A805-L821 HydrophobicContact CB-CD2 4.38Å; A805-L821 WeakPolarHBondContact O-CD1 3.47Å; A809-L821 HydrophobicContact CB-CD1 4.06Å; I817-L821 HydrophobicContact CG2-CD1 3.58Å; I817-L821 HydrophobicContact CG2-CG 3.95Å; I817-L821 WeakPolarHBondContact O-CB 3.24Å; I817-L821 VanDerWaalsContact O-CG 3.29Å; I817-L821 WeakPolarHBondContact O-CG 3.26Å; I817-L821 PolarHBondContact O-N 2.94Å; L821-T823 VanDerWaalsContact C-N 3.29Å; L821-T823 PolarHBondContact O-N 3.43Å; L821-Y824 PolarHBondContact O-N 3.36Å; L821-M825 WeakPolarHBondContact O-CB 3.44Å; L821-M825 VanDerWaalsContact O-CG 3.26Å; L821-M825 WeakPolarHBondContact O-CG 3.45Å; L821-M825 PolarHBondContact O-N 3.3Å
822	K	75.6	Confident	69.8	Low	95 Å²	95	53.2 Å²	53.2	41%	0.413	27%	0.267	S	S	.	.	H	α-helix	trans	-50.5	-55.3	172.8	-177.7	176.6	178	-176.8	0	108.6	Y806 A818 M825 I826	Y806-K822 HydrophobicContact CD2-CB 3.88Å; Y806-K822 HydrophobicContact CE2-CB 3.65Å; Y806-K822 HydrophobicContact CE2-CD 4.24Å; Y806-K822 HydrophobicContact CE2-CG 4.21Å; A818-K822 WeakPolarHBondContact O-CA 3.17Å; A818-K822 WeakPolarHBondContact O-CB 3.05Å; A818-K822 PolarHBondContact O-N 2.88Å; K822-M825 PolarHBondContact O-N 3.01Å; K822-I826 HydrophobicContact CG-CD1 4Å; K822-I826 WeakPolarHBondContact O-CB 3.19Å; K822-I826 PolarHBondContact O-N 3.2Å
823	T	68.8	Low	67.8	Low	57 Å²	57	54.3 Å²	54.3	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-46.9	178.6	-53.1	0	0	0	0	112.3	N819 L820 L821 M825 I826 N827	N819-T823 VanDerWaalsContact O-CB 3.32Å; N819-T823 WeakPolarHBondContact O-CB 3.23Å; N819-T823 PolarHBondContact O-N 3.09Å; N819-T823 PolarHBondContact O-OG1 2.78Å; L820-T823 PolarHBondContact O-N 3.49Å; L821-T823 VanDerWaalsContact C-N 3.29Å; L821-T823 PolarHBondContact O-N 3.43Å; T823-M825 PolarHBondContact O-N 3.44Å; T823-I826 WeakPolarHBondContact O-CB 3.41Å; T823-I826 WeakPolarHBondContact O-CG2 3.05Å; T823-I826 PolarHBondContact O-N 3.06Å; T823-I826 VanDerWaalsContact O-N 3.17Å; T823-N827 WeakPolarHBondContact O-CB 3.36Å; T823-N827 PolarHBondContact O-N 2.91Å; T823-N827 PolarHBondContact O-OD1 2.87Å
824	Y	72.6	Confident	65.8	Low	65 Å²	65	52.4 Å²	52.4	26%	0.255	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-45.5	178.8	-169.9	-77.6	0	0	0	112	L753 P759 L820 L821 I826 N827 S828	L753-Y824 HydrophobicContact CB-CD2 4.06Å; L753-Y824 HydrophobicContact CB-CE2 3.8Å; L753-Y824 HydrophobicContact CD1-CD2 3.94Å; L753-Y824 HydrophobicContact CD1-CG 4.18Å; L753-Y824 HydrophobicContact CD2-CD1 3.81Å; L753-Y824 HydrophobicContact CD2-CD2 3.81Å; L753-Y824 HydrophobicContact CD2-CE1 3.85Å; L753-Y824 HydrophobicContact CD2-CE2 3.84Å; L753-Y824 HydrophobicContact CD2-CG 3.77Å; L753-Y824 HydrophobicContact CG-CD2 4.16Å; L753-Y824 HydrophobicContact CG-CE2 4.26Å; L753-Y824 HydrophobicContact CG-CG 4.48Å; L753-Y824 PolarHBondContact O-OH 2.89Å; P759-Y824 HydrophobicContact CG-CD1 3.56Å; P759-Y824 HydrophobicContact CG-CE1 3.99Å; P759-Y824 HydrophobicContact CG-CG 4.48Å; L820-Y824 WeakPolarHBondContact O-CB 3.38Å; L820-Y824 PolarHBondContact O-N 3.37Å; L821-Y824 PolarHBondContact O-N 3.36Å; Y824-I826 VanDerWaalsContact C-N 3.31Å; Y824-I826 PolarHBondContact O-N 2.74Å; Y824-N827 PolarHBondContact O-N 3.26Å; Y824-S828 WeakPolarHBondContact CE1-OG 3.32Å; Y824-S828 VanDerWaalsContact O-CB 3.26Å; Y824-S828 WeakPolarHBondContact O-CB 3.38Å; Y824-S828 PolarHBondContact O-N 3.17Å; Y824-S828 PolarHBondContact O-OG 2.95Å; Y824-S828 VanDerWaalsContact O-OG 3.09Å
825	M	67.3	Low	63.7	Low	30 Å²	30	53.6 Å²	53.6	15%	0.148	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-39.8	174	-69.2	170	79.6	0	0	111.2	P759 F760 T804 Y806 L821 K822 T823 N827 S829	P759-M825 HydrophobicContact CB-CG 3.82Å; P759-M825 HydrophobicContact CB-SD 4.17Å; P759-M825 HydrophobicContact CG-CG 3.6Å; F760-M825 HydrophobicContact CD1-CB 4.25Å; F760-M825 HydrophobicContact CD1-CE 3.77Å; F760-M825 HydrophobicContact CD1-CG 4.06Å; F760-M825 HydrophobicContact CE1-CB 3.57Å; F760-M825 HydrophobicContact CE1-CE 4.21Å; F760-M825 HydrophobicContact CE1-CG 3.85Å; F760-M825 HydrophobicContact CZ-CB 4.04Å; F760-M825 HydrophobicContact CZ-CG 4.36Å; F760-M825 VanDerWaalsContact CZ-O 3.22Å; F760-M825 WeakPolarHBondContact CZ-O 3.09Å; T804-M825 HydrophobicContact CG2-CE 4.01Å; Y806-M825 HydrophobicContact CG-SD 4.42Å; L821-M825 WeakPolarHBondContact O-CB 3.44Å; L821-M825 VanDerWaalsContact O-CG 3.26Å; L821-M825 WeakPolarHBondContact O-CG 3.45Å; L821-M825 PolarHBondContact O-N 3.3Å; K822-M825 PolarHBondContact O-N 3.01Å; T823-M825 PolarHBondContact O-N 3.44Å; M825-N827 VanDerWaalsContact C-N 3.32Å; M825-N827 PolarHBondContact O-N 3.36Å; M825-S829 VanDerWaalsContact O-CB 3.24Å; M825-S829 WeakPolarHBondContact O-CB 3.38Å; M825-S829 PolarHBondContact O-N 2.93Å; M825-S829 PolarHBondContact O-OG 3.21Å; M825-S829 VanDerWaalsContact O-OG 3.11Å
826	I	53.6	Low	62.1	Low	46 Å²	46	50.4 Å²	50.4	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-43.3	177.7	-102.4	177.1	0	0	0	111.4	K822 T823 Y824 L830 K1346	K822-I826 HydrophobicContact CG-CD1 4Å; K822-I826 WeakPolarHBondContact O-CB 3.19Å; K822-I826 PolarHBondContact O-N 3.2Å; T823-I826 WeakPolarHBondContact O-CB 3.41Å; T823-I826 WeakPolarHBondContact O-CG2 3.05Å; T823-I826 PolarHBondContact O-N 3.06Å; T823-I826 VanDerWaalsContact O-N 3.17Å; Y824-I826 VanDerWaalsContact C-N 3.31Å; Y824-I826 PolarHBondContact O-N 2.74Å; I826-L830 WeakPolarHBondContact O-CD1 3.46Å; I826-L830 WeakPolarHBondContact O-CG 3.21Å; I826-L830 PolarHBondContact O-N 3.35Å; I826-K1346 HydrophobicContact CB-CD 3.78Å; I826-K1346 HydrophobicContact CD1-CD 4.16Å; I826-K1346 HydrophobicContact CG1-CD 3.72Å; I826-K1346 HydrophobicContact CG2-CB 3.32Å; I826-K1346 HydrophobicContact CG2-CD 3.34Å; I826-K1346 HydrophobicContact CG2-CG 3.98Å; I826-K1346 PolarHBondContact O-NZ 3.34Å
827	N	50.1	Low	60.2	Low	22 Å²	22	47.1 Å²	47.1	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-76.6	-44.4	-179.8	-66.6	4.6	0	0	0	111.1	T823 Y824 M825 S829 L830 R831 D1344	T823-N827 WeakPolarHBondContact O-CB 3.36Å; T823-N827 PolarHBondContact O-N 2.91Å; T823-N827 PolarHBondContact O-OD1 2.87Å; Y824-N827 PolarHBondContact O-N 3.26Å; M825-N827 VanDerWaalsContact C-N 3.32Å; M825-N827 PolarHBondContact O-N 3.36Å; N827-S829 VanDerWaalsContact C-N 3.34Å; N827-S829 PolarHBondContact O-N 2.86Å; N827-L830 WeakPolarHBondContact O-CB 3.49Å; N827-L830 PolarHBondContact O-N 2.78Å; N827-R831 VanDerWaalsContact O-CG 3.27Å; N827-R831 WeakPolarHBondContact O-CG 3.46Å; N827-R831 PolarHBondContact O-N 3.38Å; N827-D1344 WeakPolarHBondContact CB-OD1 3.34Å; N827-D1344 VanDerWaalsContact ND2-CG 3.27Å; N827-D1344 PolarHBondContact ND2-OD1 2.74Å; N827-D1344 PolarHBondContact ND2-OD2 2.77Å; N827-D1344 PolarHBondContact OD1-OD1 3.15Å
828	S	54.4	Low	57.8	Low	16 Å²	16	47 Å²	47	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-71.5	-25.9	179.9	-62.4	0	0	0	0	113.3	Y824 L830	Y824-S828 WeakPolarHBondContact CE1-OG 3.32Å; Y824-S828 VanDerWaalsContact O-CB 3.26Å; Y824-S828 WeakPolarHBondContact O-CB 3.38Å; Y824-S828 PolarHBondContact O-N 3.17Å; Y824-S828 PolarHBondContact O-OG 2.95Å; Y824-S828 VanDerWaalsContact O-OG 3.09Å; S828-L830 VanDerWaalsContact C-N 3.33Å
829	S	46.1	Very low	55.8	Low	63 Å²	63	46.9 Å²	46.9	44%	0.441	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.2	167.6	-71.5	0	0	0	0	113.5	F760 M825 N827	F760-S829 WeakPolarHBondContact CE1-OG 3.33Å; F760-S829 VanDerWaalsContact CZ-OG 3.26Å; F760-S829 WeakPolarHBondContact CZ-OG 3.29Å; M825-S829 VanDerWaalsContact O-CB 3.24Å; M825-S829 WeakPolarHBondContact O-CB 3.38Å; M825-S829 PolarHBondContact O-N 2.93Å; M825-S829 PolarHBondContact O-OG 3.21Å; M825-S829 VanDerWaalsContact O-OG 3.11Å; N827-S829 VanDerWaalsContact C-N 3.34Å; N827-S829 PolarHBondContact O-N 2.86Å
830	L	40.6	Very low	53.9	Low	22 Å²	22	45.3 Å²	45.3	12%	0.115	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-40.4	171.3	-74.4	163.5	0	0	0	111	I826 N827 S828 H832 P1345 K1346 M1905	I826-L830 WeakPolarHBondContact O-CD1 3.46Å; I826-L830 WeakPolarHBondContact O-CG 3.21Å; I826-L830 PolarHBondContact O-N 3.35Å; N827-L830 WeakPolarHBondContact O-CB 3.49Å; N827-L830 PolarHBondContact O-N 2.78Å; S828-L830 VanDerWaalsContact C-N 3.33Å; L830-H832 CarbonylContact O-C 3.56Å; L830-H832 PolarHBondContact O-N 2.84Å; L830-H832 VanDerWaalsContact O-O 3.04Å; L830-P1345 HydrophobicContact CD1-CB 3.69Å; L830-P1345 HydrophobicContact CD1-CG 3.89Å; L830-P1345 HydrophobicContact CD2-CB 4.17Å; L830-P1345 HydrophobicContact CD2-CG 4.18Å; L830-P1345 HydrophobicContact CG-CG 4.5Å; L830-K1346 HydrophobicContact CD1-CB 4.11Å; L830-K1346 HydrophobicContact CD1-CD 3.46Å; L830-K1346 VanDerWaalsContact CD1-CD 3.46Å; L830-K1346 HydrophobicContact CD1-CG 3.71Å; L830-K1346 HydrophobicContact CG-CD 4.12Å; L830-M1905 HydrophobicContact CB-CG 4.24Å; L830-M1905 HydrophobicContact CB-SD 3.85Å; L830-M1905 HydrophobicContact CD2-SD 4.19Å; L830-M1905 WeakPolarHBondContact O-CE 3.4Å; L830-M1905 WeakPolarHBondContact O-CG 3.47Å
831	R	40.6	Very low	51.6	Low	102 Å²	102	46.8 Å²	46.8	39%	0.385	23%	0.232	S	C	.	.	S	Bend	trans	-59	2.3	176.7	-72.4	171.2	172.2	-153.1	2.4	115.6	N827 I1903	N827-R831 VanDerWaalsContact O-CG 3.27Å; N827-R831 WeakPolarHBondContact O-CG 3.46Å; N827-R831 PolarHBondContact O-N 3.38Å; R831-I1903 HydrophobicContact CB-CB 4.43Å; R831-I1903 HydrophobicContact CB-CD1 4.42Å; R831-I1903 HydrophobicContact CB-CG1 4.11Å; R831-I1903 HydrophobicContact CB-CG2 3.57Å; R831-I1903 HydrophobicContact CG-CG2 3.57Å
832	H	42.1	Very low	49.5	Very low	92 Å²	92	49 Å²	49	43%	0.426	24%	0.244	S	C	.	.	S	Bend	trans	-115.2	127.4	165.3	-65.2	-44.4	0	0	0	109	L830	L830-H832 CarbonylContact O-C 3.56Å; L830-H832 PolarHBondContact O-N 2.84Å; L830-H832 VanDerWaalsContact O-O 3.04Å
833	E	42	Very low	47.7	Very low	42 Å²	42	49.2 Å²	49.2	20%	0.196	24%	0.242	C	C	.	.			trans	-60.5	150.3	-172.1	-65.9	172.3	156.5	0	0	113.4	E835 N836 R1028 T1904	E833-E835 PolarHBondContact O-N 3.43Å; E833-N836 PolarHBondContact O-N 3.24Å; E833-R1028 VanDerWaalsContact CD-NH1 3.35Å; E833-R1028 IonicContact OE1-CZ 3.62Å; E833-R1028 IonicContact OE1-NE 2.69Å; E833-R1028 IonicContact OE1-NH1 3.33Å; E833-R1028 PolarHBondContact OE1-NH1 3.46Å; E833-R1028 WeakPolarHBondContact OE2-CD 3.05Å; E833-R1028 IonicContact OE2-CZ 3.76Å; E833-R1028 IonicContact OE2-NE 3.41Å; E833-R1028 PolarHBondContact OE2-NE 3.12Å; E833-R1028 IonicContact OE2-NH1 3.44Å; E833-T1904 WeakPolarHBondContact CG-OG1 3.46Å; E833-T1904 WeakPolarHBondContact OE1-CB 3.45Å; E833-T1904 PolarHBondContact OE1-OG1 3.18Å
834	P	42.2	Very low	46.2	Very low	50 Å²	50	49.5 Å²	49.5	33%	0.325	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-61.2	-13.1	-175.5	-25.7	35.8	0	0	0	116.3	N836 N1907	P834-N836 PolarHBondContact O-N 3.21Å; P834-N836 VanDerWaalsContact O-N 3.11Å; P834-N1907 WeakPolarHBondContact CG-OD1 3.46Å
835	E	44	Very low	44.4	Very low	48 Å²	48	47.6 Å²	47.6	22%	0.224	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-62	-17.8	-178.9	-62.3	-168.2	-153	0	0	113.7	E833 W837 R1028 R1060	E833-E835 PolarHBondContact O-N 3.43Å; E835-W837 PolarHBondContact O-N 2.96Å; E835-W837 VanDerWaalsContact O-N 3.12Å; E835-R1028 IonicContact OE1-CZ 3.57Å; E835-R1028 IonicContact OE1-NE 3.49Å; E835-R1028 PolarHBondContact OE1-NE 2.94Å; E835-R1028 IonicContact OE1-NH2 2.79Å; E835-R1028 PolarHBondContact OE1-NH2 2.94Å; E835-R1060 PolarHBondContact O-NH1 3.2Å
836	N	50.9	Low	42.9	Very low	26 Å²	26	49.6 Å²	49.6	14%	0.139	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-83.8	26	-173.5	-137.4	12.1	0	0	0	113.7	E833 P834 E838 A839 I840	E833-N836 PolarHBondContact O-N 3.24Å; P834-N836 PolarHBondContact O-N 3.21Å; P834-N836 VanDerWaalsContact O-N 3.11Å; N836-E838 VanDerWaalsContact C-N 3.26Å; N836-E838 PolarHBondContact O-N 3.07Å; N836-A839 HydrophobicContact CB-CB 4.48Å; N836-A839 PolarHBondContact O-N 2.71Å; N836-A839 WeakPolarHBondContact OD1-CB 3.42Å; N836-I840 WeakPolarHBondContact O-CB 3.17Å; N836-I840 WeakPolarHBondContact O-CG1 3.12Å; N836-I840 PolarHBondContact O-N 2.93Å
837	W	46.1	Very low	42	Very low	58 Å²	58	51.4 Å²	51.4	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-29.3	-172.9	73.8	-85.8	0	0	0	114	E835 I840 L841 L1059 F1063	E835-W837 PolarHBondContact O-N 2.96Å; E835-W837 VanDerWaalsContact O-N 3.12Å; W837-I840 CarbonylContact O-C 3.53Å; W837-I840 WeakPolarHBondContact O-CB 3.21Å; W837-L841 HydrophobicContact CE3-CD1 3.84Å; W837-L841 HydrophobicContact CE3-CG 4.38Å; W837-L841 HydrophobicContact CZ3-CD1 3.89Å; W837-L841 WeakPolarHBondContact O-CB 3.41Å; W837-L841 WeakPolarHBondContact O-CG 3.4Å; W837-L841 PolarHBondContact O-N 2.81Å; W837-L1059 HydrophobicContact CH2-CD1 4.36Å; W837-L1059 HydrophobicContact CH2-CG 4.17Å; W837-F1063 HydrophobicContact CE3-CD1 4.36Å; W837-F1063 HydrophobicContact CE3-CG 4.49Å; W837-F1063 HydrophobicContact CH2-CB 3.58Å; W837-F1063 AromaticContact CH2-CD1 4Å; W837-F1063 HydrophobicContact CH2-CD1 4Å; W837-F1063 AromaticContact CH2-CD2 3.28Å; W837-F1063 HydrophobicContact CH2-CD2 3.28Å; W837-F1063 AromaticContact CH2-CE2 3.88Å; W837-F1063 HydrophobicContact CH2-CE2 3.88Å; W837-F1063 AromaticContact CH2-CG 3.35Å; W837-F1063 HydrophobicContact CH2-CG 3.35Å; W837-F1063 HydrophobicContact CH2-CZ 4.45Å; W837-F1063 HydrophobicContact CZ2-CB 3.25Å; W837-F1063 HydrophobicContact CZ2-CD1 4.33Å; W837-F1063 AromaticContact CZ2-CD2 3.93Å; W837-F1063 HydrophobicContact CZ2-CD2 3.93Å; W837-F1063 AromaticContact CZ2-CG 3.61Å; W837-F1063 HydrophobicContact CZ2-CG 3.61Å; W837-F1063 HydrophobicContact CZ3-CB 4.37Å; W837-F1063 AromaticContact CZ3-CD1 3.98Å; W837-F1063 HydrophobicContact CZ3-CD1 3.98Å; W837-F1063 AromaticContact CZ3-CD2 3.83Å; W837-F1063 HydrophobicContact CZ3-CD2 3.83Å; W837-F1063 HydrophobicContact CZ3-CE1 4.16Å; W837-F1063 HydrophobicContact CZ3-CE2 4.02Å; W837-F1063 AromaticContact CZ3-CG 3.81Å; W837-F1063 HydrophobicContact CZ3-CG 3.81Å; W837-F1063 HydrophobicContact CZ3-CZ 4.18Å
838	E	39.7	Very low	41	Very low	3 Å²	3	56.7 Å²	56.7	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-80.9	-44.4	177	-158.3	-171.9	162.7	0	0	110.8	N836 I840 L841 L842 S1057 L1059 R1060	N836-E838 VanDerWaalsContact C-N 3.26Å; N836-E838 PolarHBondContact O-N 3.07Å; E838-I840 PolarHBondContact O-N 3.17Å; E838-L841 CarbonylContact O-C 3.53Å; E838-L841 WeakPolarHBondContact O-CA 2.82Å; E838-L841 PolarHBondContact O-N 3.04Å; E838-L842 HydrophobicContact CG-CD1 3.95Å; E838-L842 HydrophobicContact CG-CG 4.49Å; E838-L842 WeakPolarHBondContact O-CB 3.38Å; E838-L842 WeakPolarHBondContact O-CD1 3.26Å; E838-L842 WeakPolarHBondContact O-CG 3.35Å; E838-L842 PolarHBondContact O-N 3.19Å; E838-S1057 PolarHBondContact OE1-OG 2.98Å; E838-S1057 PolarHBondContact OE2-OG 2.8Å; E838-L1059 HydrophobicContact CG-CD2 3.91Å; E838-L1059 HydrophobicContact CG-CG 4.19Å; E838-R1060 WeakPolarHBondContact OE2-CB 3.42Å; E838-R1060 IonicContact OE2-CZ 3.87Å; E838-R1060 VanDerWaalsContact OE2-CZ 3.27Å; E838-R1060 IonicContact OE2-NE 3.64Å; E838-R1060 PolarHBondContact OE2-NE 3.04Å; E838-R1060 IonicContact OE2-NH2 3.71Å; E838-R1060 PolarHBondContact OE2-NH2 3.13Å
839	A	42.7	Very low	40	Very low	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-36.2	169.8	0	0	0	0	0	111.1	N836 L842 R843 N900	N836-A839 HydrophobicContact CB-CB 4.48Å; N836-A839 PolarHBondContact O-N 2.71Å; N836-A839 WeakPolarHBondContact OD1-CB 3.42Å; A839-L842 PolarHBondContact O-N 3.43Å; A839-R843 VanDerWaalsContact O-CB 3.26Å; A839-R843 WeakPolarHBondContact O-CB 3.45Å; A839-R843 WeakPolarHBondContact O-CD 3.26Å; A839-R843 WeakPolarHBondContact O-CG 3.48Å; A839-R843 PolarHBondContact O-N 3.09Å; A839-N900 HydrophobicContact CB-CB 4.48Å; A839-N900 WeakPolarHBondContact CB-ND2 3.48Å
840	I	41.7	Very low	39.2	Very low	63 Å²	63	62.2 Å²	62.2	32%	0.323	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-54.9	166.7	-73.6	166.1	0	0	0	109.8	N836 W837 E838 L842 R843 F844	N836-I840 WeakPolarHBondContact O-CB 3.17Å; N836-I840 WeakPolarHBondContact O-CG1 3.12Å; N836-I840 PolarHBondContact O-N 2.93Å; W837-I840 CarbonylContact O-C 3.53Å; W837-I840 WeakPolarHBondContact O-CB 3.21Å; E838-I840 PolarHBondContact O-N 3.17Å; I840-L842 PolarHBondContact O-N 3.42Å; I840-L842 VanDerWaalsContact O-N 3.11Å; I840-R843 CarbonylContact O-C 3.45Å; I840-R843 PolarHBondContact O-N 3.48Å; I840-F844 HydrophobicContact CG2-CD1 3.91Å; I840-F844 HydrophobicContact CG2-CD2 3.99Å; I840-F844 HydrophobicContact CG2-CE1 3.8Å; I840-F844 HydrophobicContact CG2-CE2 3.86Å; I840-F844 HydrophobicContact CG2-CG 4.02Å; I840-F844 HydrophobicContact CG2-CZ 3.77Å; I840-F844 WeakPolarHBondContact O-CA 3.34Å; I840-F844 WeakPolarHBondContact O-CB 3.36Å; I840-F844 WeakPolarHBondContact O-CD2 3.26Å; I840-F844 WeakPolarHBondContact O-CG 3.17Å; I840-F844 PolarHBondContact O-N 3.3Å
841	L	39.4	Very low	38.7	Very low	83 Å²	83	65.5 Å²	65.5	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-71.7	5.6	176.4	-73.9	-171.7	0	0	0	115.9	W837 E838 G845	W837-L841 HydrophobicContact CE3-CD1 3.84Å; W837-L841 HydrophobicContact CE3-CG 4.38Å; W837-L841 HydrophobicContact CZ3-CD1 3.89Å; W837-L841 WeakPolarHBondContact O-CB 3.41Å; W837-L841 WeakPolarHBondContact O-CG 3.4Å; W837-L841 PolarHBondContact O-N 2.81Å; E838-L841 CarbonylContact O-C 3.53Å; E838-L841 WeakPolarHBondContact O-CA 2.82Å; E838-L841 PolarHBondContact O-N 3.04Å; L841-G845 VanDerWaalsContact C-N 3.26Å; L841-G845 WeakPolarHBondContact O-CA 2.97Å; L841-G845 PolarHBondContact O-N 2.91Å
842	L	39.9	Very low	38.4	Very low	46 Å²	46	66.4 Å²	66.4	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-108.8	-41.4	170.4	-71.4	159.2	0	0	0	110.4	E838 A839 I840 F844 S846 Q896	E838-L842 HydrophobicContact CG-CD1 3.95Å; E838-L842 HydrophobicContact CG-CG 4.49Å; E838-L842 WeakPolarHBondContact O-CB 3.38Å; E838-L842 WeakPolarHBondContact O-CD1 3.26Å; E838-L842 WeakPolarHBondContact O-CG 3.35Å; E838-L842 PolarHBondContact O-N 3.19Å; A839-L842 PolarHBondContact O-N 3.43Å; I840-L842 PolarHBondContact O-N 3.42Å; I840-L842 VanDerWaalsContact O-N 3.11Å; L842-F844 VanDerWaalsContact C-N 3.25Å; L842-F844 PolarHBondContact O-N 3.32Å; L842-S846 VanDerWaalsContact O-CB 3.31Å; L842-S846 WeakPolarHBondContact O-CB 3.45Å; L842-S846 PolarHBondContact O-N 3.45Å; L842-S846 PolarHBondContact O-OG 3.35Å; L842-Q896 HydrophobicContact CD1-CB 4.38Å; L842-Q896 HydrophobicContact CD1-CG 4.26Å; L842-Q896 VanDerWaalsContact CD1-NE2 3.32Å; L842-Q896 VanDerWaalsContact CD1-OE1 3.22Å
843	R	37.5	Very low	37.7	Very low	99 Å²	99	64 Å²	64	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-40.8	162.2	-69.4	168.1	-178.5	-168.2	2.2	110.4	A839 I840 W847 N900	A839-R843 VanDerWaalsContact O-CB 3.26Å; A839-R843 WeakPolarHBondContact O-CB 3.45Å; A839-R843 WeakPolarHBondContact O-CD 3.26Å; A839-R843 WeakPolarHBondContact O-CG 3.48Å; A839-R843 PolarHBondContact O-N 3.09Å; I840-R843 CarbonylContact O-C 3.45Å; I840-R843 PolarHBondContact O-N 3.48Å; R843-W847 PolarHBondContact O-NE1 2.65Å; R843-N900 PolarHBondContact NH2-O 2.95Å
844	F	37.5	Very low	37	Very low	64 Å²	64	72.8 Å²	72.8	28%	0.281	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-24.1	-178.8	-61.8	-154.6	0	0	0	111.9	I840 L842 S846 W847 F848	I840-F844 HydrophobicContact CG2-CD1 3.91Å; I840-F844 HydrophobicContact CG2-CD2 3.99Å; I840-F844 HydrophobicContact CG2-CE1 3.8Å; I840-F844 HydrophobicContact CG2-CE2 3.86Å; I840-F844 HydrophobicContact CG2-CG 4.02Å; I840-F844 HydrophobicContact CG2-CZ 3.77Å; I840-F844 WeakPolarHBondContact O-CA 3.34Å; I840-F844 WeakPolarHBondContact O-CB 3.36Å; I840-F844 WeakPolarHBondContact O-CD2 3.26Å; I840-F844 WeakPolarHBondContact O-CG 3.17Å; I840-F844 PolarHBondContact O-N 3.3Å; L842-F844 VanDerWaalsContact C-N 3.25Å; L842-F844 PolarHBondContact O-N 3.32Å; F844-S846 PolarHBondContact O-N 2.95Å; F844-W847 VanDerWaalsContact C-N 3.29Å; F844-W847 HydrophobicContact CB-CD2 4.08Å; F844-W847 HydrophobicContact CB-CE3 3.99Å; F844-W847 HydrophobicContact CB-CG 4.37Å; F844-W847 AromaticContact CD1-CE3 3.7Å; F844-W847 HydrophobicContact CD1-CE3 3.7Å; F844-W847 HydrophobicContact CD1-CH2 4.13Å; F844-W847 AromaticContact CD1-CZ3 3.49Å; F844-W847 HydrophobicContact CD1-CZ3 3.49Å; F844-W847 VanDerWaalsContact CD1-CZ3 3.49Å; F844-W847 AromaticContact CD2-CD2 3.99Å; F844-W847 HydrophobicContact CD2-CD2 3.99Å; F844-W847 AromaticContact CD2-CE2 3.82Å; F844-W847 AromaticContact CD2-CE3 3.9Å; F844-W847 HydrophobicContact CD2-CE3 3.9Å; F844-W847 AromaticContact CD2-CH2 3.55Å; F844-W847 HydrophobicContact CD2-CH2 3.55Å; F844-W847 AromaticContact CD2-CZ2 3.62Å; F844-W847 HydrophobicContact CD2-CZ2 3.62Å; F844-W847 AromaticContact CD2-CZ3 3.69Å; F844-W847 HydrophobicContact CD2-CZ3 3.69Å; F844-W847 HydrophobicContact CE1-CE3 4.17Å; F844-W847 AromaticContact CE1-CH2 3.85Å; F844-W847 HydrophobicContact CE1-CH2 3.85Å; F844-W847 AromaticContact CE1-CZ3 3.46Å; F844-W847 HydrophobicContact CE1-CZ3 3.46Å; F844-W847 VanDerWaalsContact CE1-CZ3 3.46Å; F844-W847 HydrophobicContact CE2-CE3 4.35Å; F844-W847 AromaticContact CE2-CH2 3.24Å; F844-W847 HydrophobicContact CE2-CH2 3.24Å; F844-W847 AromaticContact CE2-CZ2 3.59Å; F844-W847 HydrophobicContact CE2-CZ2 3.59Å; F844-W847 AromaticContact CE2-CZ3 3.67Å; F844-W847 HydrophobicContact CE2-CZ3 3.67Å; F844-W847 AromaticContact CG-CD2 3.9Å; F844-W847 HydrophobicContact CG-CD2 3.9Å; F844-W847 AromaticContact CG-CE3 3.55Å; F844-W847 HydrophobicContact CG-CE3 3.55Å; F844-W847 HydrophobicContact CG-CH2 4Å; F844-W847 HydrophobicContact CG-CZ2 4.3Å; F844-W847 AromaticContact CG-CZ3 3.61Å; F844-W847 HydrophobicContact CG-CZ3 3.61Å; F844-W847 HydrophobicContact CZ-CE3 4.48Å; F844-W847 AromaticContact CZ-CH2 3.41Å; F844-W847 HydrophobicContact CZ-CH2 3.41Å; F844-W847 VanDerWaalsContact CZ-CH2 3.41Å; F844-W847 HydrophobicContact CZ-CZ2 4.23Å; F844-W847 AromaticContact CZ-CZ3 3.56Å; F844-W847 HydrophobicContact CZ-CZ3 3.56Å; F844-W847 CarbonylContact O-C 3.47Å; F844-W847 VanDerWaalsContact O-CA 3.26Å; F844-W847 WeakPolarHBondContact O-CA 3.42Å; F844-W847 VanDerWaalsContact O-CB 3.24Å; F844-W847 WeakPolarHBondContact O-CB 3.18Å; F844-W847 PolarHBondContact O-N 3.22Å; F844-F848 HydrophobicContact CB-CE2 4.47Å; F844-F848 WeakPolarHBondContact O-CD2 3.25Å; F844-F848 PolarHBondContact O-N 2.96Å
845	G	33.8	Very low	36.3	Very low	24 Å²	24	74.7 Å²	74.7	25%	0.247	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.1	164	0	0	0	0	0	112.1	L841	L841-G845 VanDerWaalsContact C-N 3.26Å; L841-G845 WeakPolarHBondContact O-CA 2.97Å; L841-G845 PolarHBondContact O-N 2.91Å
846	S	36.6	Very low	35.5	Very low	72 Å²	72	79.3 Å²	79.3	50%	0.503	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.6	161.7	-55.7	0	0	0	0	113.5	P786 L842 F844	P786-S846 WeakPolarHBondContact CG-O 3.41Å; L842-S846 VanDerWaalsContact O-CB 3.31Å; L842-S846 WeakPolarHBondContact O-CB 3.45Å; L842-S846 PolarHBondContact O-N 3.45Å; L842-S846 PolarHBondContact O-OG 3.35Å; F844-S846 PolarHBondContact O-N 2.95Å
847	W	34.9	Very low	34.8	Very low	85 Å²	85	85 Å²	85	32%	0.322	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-27	169.4	-57.7	-4.8	0	0	0	112.8	P786 R843 F844	P786-W847 WeakPolarHBondContact CD-O 3.45Å; P786-W847 WeakPolarHBondContact CG-O 3.39Å; R843-W847 PolarHBondContact O-NE1 2.65Å; F844-W847 VanDerWaalsContact C-N 3.29Å; F844-W847 HydrophobicContact CB-CD2 4.08Å; F844-W847 HydrophobicContact CB-CE3 3.99Å; F844-W847 HydrophobicContact CB-CG 4.37Å; F844-W847 AromaticContact CD1-CE3 3.7Å; F844-W847 HydrophobicContact CD1-CE3 3.7Å; F844-W847 HydrophobicContact CD1-CH2 4.13Å; F844-W847 AromaticContact CD1-CZ3 3.49Å; F844-W847 HydrophobicContact CD1-CZ3 3.49Å; F844-W847 VanDerWaalsContact CD1-CZ3 3.49Å; F844-W847 AromaticContact CD2-CD2 3.99Å; F844-W847 HydrophobicContact CD2-CD2 3.99Å; F844-W847 AromaticContact CD2-CE2 3.82Å; F844-W847 AromaticContact CD2-CE3 3.9Å; F844-W847 HydrophobicContact CD2-CE3 3.9Å; F844-W847 AromaticContact CD2-CH2 3.55Å; F844-W847 HydrophobicContact CD2-CH2 3.55Å; F844-W847 AromaticContact CD2-CZ2 3.62Å; F844-W847 HydrophobicContact CD2-CZ2 3.62Å; F844-W847 AromaticContact CD2-CZ3 3.69Å; F844-W847 HydrophobicContact CD2-CZ3 3.69Å; F844-W847 HydrophobicContact CE1-CE3 4.17Å; F844-W847 AromaticContact CE1-CH2 3.85Å; F844-W847 HydrophobicContact CE1-CH2 3.85Å; F844-W847 AromaticContact CE1-CZ3 3.46Å; F844-W847 HydrophobicContact CE1-CZ3 3.46Å; F844-W847 VanDerWaalsContact CE1-CZ3 3.46Å; F844-W847 HydrophobicContact CE2-CE3 4.35Å; F844-W847 AromaticContact CE2-CH2 3.24Å; F844-W847 HydrophobicContact CE2-CH2 3.24Å; F844-W847 AromaticContact CE2-CZ2 3.59Å; F844-W847 HydrophobicContact CE2-CZ2 3.59Å; F844-W847 AromaticContact CE2-CZ3 3.67Å; F844-W847 HydrophobicContact CE2-CZ3 3.67Å; F844-W847 AromaticContact CG-CD2 3.9Å; F844-W847 HydrophobicContact CG-CD2 3.9Å; F844-W847 AromaticContact CG-CE3 3.55Å; F844-W847 HydrophobicContact CG-CE3 3.55Å; F844-W847 HydrophobicContact CG-CH2 4Å; F844-W847 HydrophobicContact CG-CZ2 4.3Å; F844-W847 AromaticContact CG-CZ3 3.61Å; F844-W847 HydrophobicContact CG-CZ3 3.61Å; F844-W847 HydrophobicContact CZ-CE3 4.48Å; F844-W847 AromaticContact CZ-CH2 3.41Å; F844-W847 HydrophobicContact CZ-CH2 3.41Å; F844-W847 VanDerWaalsContact CZ-CH2 3.41Å; F844-W847 HydrophobicContact CZ-CZ2 4.23Å; F844-W847 AromaticContact CZ-CZ3 3.56Å; F844-W847 HydrophobicContact CZ-CZ3 3.56Å; F844-W847 CarbonylContact O-C 3.47Å; F844-W847 VanDerWaalsContact O-CA 3.26Å; F844-W847 WeakPolarHBondContact O-CA 3.42Å; F844-W847 VanDerWaalsContact O-CB 3.24Å; F844-W847 WeakPolarHBondContact O-CB 3.18Å; F844-W847 PolarHBondContact O-N 3.22Å
848	F	29.3	Very low	34	Very low	133 Å²	133	87.8 Å²	87.8	58%	0.583	45%	0.449	S	S	*	.	S	Bend	trans	-104.8	139.6	179	-63.5	-66.4	0	0	0	111.9	F844 S850	F844-F848 HydrophobicContact CB-CE2 4.47Å; F844-F848 WeakPolarHBondContact O-CD2 3.25Å; F844-F848 PolarHBondContact O-N 2.96Å; F848-S850 PolarHBondContact O-N 2.82Å
849	Q	32.9	Very low	33.5	Very low	135 Å²	135	94.5 Å²	94.5	63%	0.631	49%	0.485	S	S	*	.	S	Bend	trans	-75.2	86	178.9	-171.5	-172.9	18.9	0	0	110.9	D788	D788-Q849 HydrophobicContact CB-CG 4.25Å; D788-Q849 VanDerWaalsContact CB-NE2 3.31Å
850	S	28.3	Very low	32.8	Very low	60 Å²	60	98.8 Å²	98.8	42%	0.42	51%	0.514	S	S	.	.			trans	60.3	98.8	171.9	-168.3	0	0	0	0	117	F848 I852 G853	F848-S850 PolarHBondContact O-N 2.82Å; S850-I852 PolarHBondContact O-N 3.47Å; S850-I852 PolarHBondContact OG-N 3.35Å; S850-G853 PolarHBondContact O-N 3.01Å; S850-G853 PolarHBondContact OG-N 3.37Å
851	P	30.1	Very low	32	Very low	91 Å²	91	99.8 Å²	99.8	59%	0.591	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-5.9	161.1	-20.2	33.3	0	0	0	114.3
852	I	34.6	Very low	31.5	Very low	121 Å²	121	103.9 Å²	103.9	62%	0.621	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.7	-175.4	-57.5	165.2	0	0	0	110.4	S850 Y889	S850-I852 PolarHBondContact O-N 3.47Å; S850-I852 PolarHBondContact OG-N 3.35Å; I852-Y889 HydrophobicContact CD1-CE1 3.89Å; I852-Y889 HydrophobicContact CD1-CE2 4.28Å
853	G	27.3	Very low	30.8	Very low	40 Å²	40	105.2 Å²	105.2	41%	0.412	54%	0.541	S	S	.	.	S	Bend	trans	-145.8	80.1	-171.2	0	0	0	0	0	116.7	S850	S850-G853 PolarHBondContact O-N 3.01Å; S850-G853 PolarHBondContact OG-N 3.37Å
854	R	28.7	Very low	30.4	Very low	228 Å²	228	104.1 Å²	104.1	86%	0.86	56%	0.56	S	S	*	*	S	Bend	trans	87.1	142.2	165.6	-53.8	170.7	176.4	169	-1.5	117.2
855	S	26.8	Very low	29.9	Very low	89 Å²	89	109.7 Å²	109.7	62%	0.622	58%	0.581	S	S	*	*	S	Bend	trans	84.4	133.6	174.7	77.4	0	0	0	0	116.4	F857 D858	S855-F857 PolarHBondContact O-N 3.32Å; S855-D858 WeakPolarHBondContact CA-OD2 3.19Å; S855-D858 PolarHBondContact N-OD2 3.02Å
856	Q	27.3	Very low	29.6	Very low	146 Å²	146	116.8 Å²	116.8	68%	0.682	61%	0.608	S	S	*	*	S	Bend	trans	56.6	-34.9	-176.4	-63.6	-166.6	-11.8	0	0	118	D858	Q856-D858 VanDerWaalsContact C-N 3.28Å; Q856-D858 PolarHBondContact O-N 3.16Å
857	F	35	Very low	29.1	Very low	145 Å²	145	118.1 Å²	118.1	64%	0.636	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-77.6	-7.7	176.1	-75	-79.2	0	0	0	114.6	S855 N859 C860	S855-F857 PolarHBondContact O-N 3.32Å; F857-N859 PolarHBondContact O-N 3.44Å; F857-C860 WeakPolarHBondContact O-CB 3.31Å; F857-C860 PolarHBondContact O-N 2.69Å
858	D	31.1	Very low	28.7	Very low	116 Å²	116	121.6 Å²	121.6	62%	0.62	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-62.5	-16	-175.1	-62.4	-73.5	0	0	0	114.4	S855 Q856	S855-D858 WeakPolarHBondContact CA-OD2 3.19Å; S855-D858 PolarHBondContact N-OD2 3.02Å; Q856-D858 VanDerWaalsContact C-N 3.28Å; Q856-D858 PolarHBondContact O-N 3.16Å
859	N	29.1	Very low	28.6	Very low	145 Å²	145	121 Å²	121	78%	0.775	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-86.6	-23.5	170.5	-79.1	-35.7	0	0	0	114	F857 T861	F857-N859 PolarHBondContact O-N 3.44Å; N859-T861 PolarHBondContact O-N 3.46Å; N859-T861 PolarHBondContact O-OG1 3.27Å
860	C	26.4	Very low	28.4	Very low	90 Å²	90	119.9 Å²	119.9	61%	0.608	64%	0.642	S	S	*	*	S	Bend	trans	-81.5	58.1	176.7	-70.8	0	0	0	0	111.3	F857 F862	F857-C860 WeakPolarHBondContact O-CB 3.31Å; F857-C860 PolarHBondContact O-N 2.69Å; C860-F862 PolarHBondContact O-N 3.49Å
861	T	25.6	Very low	28.4	Very low	84 Å²	84	124.7 Å²	124.7	52%	0.515	66%	0.663	S	S	.	*			trans	-59.5	122.3	177.1	8	0	0	0	0	110.8	K432 N859 K863	K432-T861 PolarHBondContact NZ-OG1 3.49Å; N859-T861 PolarHBondContact O-N 3.46Å; N859-T861 PolarHBondContact O-OG1 3.27Å; T861-K863 VanDerWaalsContact C-N 3.33Å; T861-K863 PolarHBondContact O-N 2.81Å
862	F	28.7	Very low	28.4	Very low	169 Å²	169	126.3 Å²	126.3	74%	0.741	67%	0.666	S	S	*	*			trans	-60.2	87.6	173.5	-90.7	-103.4	0	0	0	111.1	C860 G864 Y865	C860-F862 PolarHBondContact O-N 3.49Å; F862-G864 PolarHBondContact O-N 3.43Å; F862-Y865 WeakPolarHBondContact CB-O 3.34Å; F862-Y865 CarbonylContact O-C 3.59Å; F862-Y865 PolarHBondContact O-N 3.31Å
863	K	26.3	Very low	28.1	Very low	74 Å²	74	124.9 Å²	124.9	32%	0.322	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	70	176.6	-74.6	169.8	152.3	-169.6	0	111.4	L428 N429 T861	L428-K863 HydrophobicContact CB-CD 3.9Å; L428-K863 HydrophobicContact CD1-CB 4.01Å; L428-K863 HydrophobicContact CD1-CD 4.36Å; L428-K863 WeakPolarHBondContact O-CE 3.47Å; L428-K863 PolarHBondContact O-NZ 3.43Å; N429-K863 PolarHBondContact OD1-NZ 3.01Å; T861-K863 VanDerWaalsContact C-N 3.33Å; T861-K863 PolarHBondContact O-N 2.81Å
864	G	28.6	Very low	28.4	Very low	75 Å²	75	125.1 Å²	125.1	77%	0.773	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.7	-17.7	-173.5	0	0	0	0	0	113.1	F862	F862-G864 PolarHBondContact O-N 3.43Å
865	Y	27	Very low	28.6	Very low	181 Å²	181	120.6 Å²	120.6	71%	0.71	67%	0.669	S	S	*	*			trans	-131.6	88.4	170.3	-108.2	-96.5	0	0	0	108.3	F862 P867	F862-Y865 WeakPolarHBondContact CB-O 3.34Å; F862-Y865 CarbonylContact O-C 3.59Å; F862-Y865 PolarHBondContact O-N 3.31Å; Y865-P867 WeakPolarHBondContact O-CD 3.38Å
866	Q	26.1	Very low	28.9	Very low	173 Å²	173	123.3 Å²	123.3	81%	0.808	67%	0.672	S	S	*	*			trans	-75	125.7	160.6	-80.9	-170.9	-43.5	0	0	108.4	F868	Q866-F868 PolarHBondContact O-N 3.1Å
867	P	26.8	Very low	29.4	Very low	100 Å²	100	122.2 Å²	122.2	65%	0.649	67%	0.667	S	S	*	*			trans	-59.2	134	156.2	-16.3	31.2	0	0	0	108.2	Y865 T869	Y865-P867 WeakPolarHBondContact O-CD 3.38Å; P867-T869 HydrophobicContact CB-CG2 4.21Å; P867-T869 PolarHBondContact O-N 2.83Å
868	F	27	Very low	29.4	Very low	159 Å²	159	119 Å²	119	70%	0.697	66%	0.659	S	S	*	*			trans	-69.1	93	174.9	-96.7	-97.8	0	0	0	109.8	Q866 L872	Q866-F868 PolarHBondContact O-N 3.1Å; F868-L872 HydrophobicContact CD1-CD1 4.23Å
869	T	26.7	Very low	29.6	Very low	119 Å²	119	119.1 Å²	119.1	73%	0.73	65%	0.654	S	S	*	*			trans	-130.7	51.6	178.9	61.1	0	0	0	0	112.2	P867	P867-T869 HydrophobicContact CB-CG2 4.21Å; P867-T869 PolarHBondContact O-N 2.83Å
870	T	29.3	Very low	30.2	Very low	113 Å²	113	117.2 Å²	117.2	69%	0.693	65%	0.647	S	S	*	*	S	Bend	trans	-145.3	115.2	168.5	26.3	0	0	0	0	110	L872	T870-L872 PolarHBondContact O-N 3.03Å
871	D	28.5	Very low	30.6	Very low	161 Å²	161	118.2 Å²	118.2	86%	0.861	65%	0.646	S	S	*	*	S	Bend	trans	39.2	68.9	166.3	-61.6	-23.4	0	0	0	118.7
872	L	29.3	Very low	30.8	Very low	124 Å²	124	119.4 Å²	119.4	65%	0.649	65%	0.647	S	S	*	*			trans	-127.8	111.2	158.4	-94.2	140.8	0	0	0	110.2	F868 T870 S874	F868-L872 HydrophobicContact CD1-CD1 4.23Å; T870-L872 PolarHBondContact O-N 3.03Å; L872-S874 VanDerWaalsContact C-N 3.31Å; L872-S874 PolarHBondContact O-N 3.37Å
873	G	28.5	Very low	31.5	Very low	92 Å²	92	116.2 Å²	116.2	95%	0.948	64%	0.638	S	S	*	*			trans	-81.4	58	-172.6	0	0	0	0	0	114.9
874	S	33.7	Very low	32.3	Very low	45 Å²	45	114.4 Å²	114.4	32%	0.315	64%	0.635	S	S	.	*			trans	-137.9	133.5	167.4	99.5	0	0	0	0	111.3	L872 E876 E877	L872-S874 VanDerWaalsContact C-N 3.31Å; L872-S874 PolarHBondContact O-N 3.37Å; S874-E876 VanDerWaalsContact C-N 3.28Å; S874-E877 PolarHBondContact OG-OE2 3.25Å
875	L	32	Very low	33.2	Very low	132 Å²	132	114 Å²	114	69%	0.691	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	12.8	-179.8	-152	85.4	0	0	0	112.7	K879	L875-K879 WeakPolarHBondContact O-CD 3.45Å; L875-K879 WeakPolarHBondContact O-CE 3.28Å; L875-K879 WeakPolarHBondContact O-CG 3.39Å
876	E	34.9	Very low	34.6	Very low	146 Å²	146	109.6 Å²	109.6	68%	0.682	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	-44.1	-172.8	-62.2	-166.1	133.4	0	0	111.7	S874 T878 K879 V880	S874-E876 VanDerWaalsContact C-N 3.28Å; E876-T878 VanDerWaalsContact C-N 3.28Å; E876-T878 PolarHBondContact O-N 2.73Å; E876-K879 WeakPolarHBondContact O-CA 3.47Å; E876-K879 WeakPolarHBondContact O-CB 3.21Å; E876-K879 PolarHBondContact O-N 3.21Å; E876-V880 WeakPolarHBondContact O-CG2 3.31Å; E876-V880 PolarHBondContact O-N 3.16Å
877	E	37.4	Very low	36.2	Very low	124 Å²	124	106.4 Å²	106.4	58%	0.579	59%	0.587	S	S	*	*	H	α-helix	trans	-62.3	-37.4	176.6	-67.4	169.8	129.7	0	0	111.9	S874 K879 V880 L881	S874-E877 PolarHBondContact OG-OE2 3.25Å; E877-K879 VanDerWaalsContact C-N 3.33Å; E877-K879 PolarHBondContact O-N 2.79Å; E877-V880 PolarHBondContact O-N 3.06Å; E877-L881 PolarHBondContact O-N 3.16Å
878	T	34.6	Very low	38	Very low	77 Å²	77	104.7 Å²	104.7	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-34.8	172.5	42.4	0	0	0	0	112.7	E876 M882	E876-T878 VanDerWaalsContact C-N 3.28Å; E876-T878 PolarHBondContact O-N 2.73Å; T878-M882 WeakPolarHBondContact O-CB 3.27Å; T878-M882 WeakPolarHBondContact O-CG 3.35Å; T878-M882 PolarHBondContact O-N 3.43Å; T878-M882 VanDerWaalsContact O-N 3.07Å
879	K	35.8	Very low	39.8	Very low	119 Å²	119	102.5 Å²	102.5	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-69	-41.9	171.2	-70.2	176.4	-176.9	172.5	0	111.6	L875 E876 E877 M882 N883	L875-K879 WeakPolarHBondContact O-CD 3.45Å; L875-K879 WeakPolarHBondContact O-CE 3.28Å; L875-K879 WeakPolarHBondContact O-CG 3.39Å; E876-K879 WeakPolarHBondContact O-CA 3.47Å; E876-K879 WeakPolarHBondContact O-CB 3.21Å; E876-K879 PolarHBondContact O-N 3.21Å; E877-K879 VanDerWaalsContact C-N 3.33Å; E877-K879 PolarHBondContact O-N 2.79Å; K879-M882 PolarHBondContact O-N 3.27Å; K879-N883 VanDerWaalsContact O-CB 3.22Å; K879-N883 WeakPolarHBondContact O-CB 3.31Å; K879-N883 PolarHBondContact O-N 3.23Å; K879-N883 PolarHBondContact O-ND2 2.94Å; K879-N883 PolarHBondContact O-OD1 3.28Å
880	V	42	Very low	41.7	Very low	104 Å²	104	101.3 Å²	101.3	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-61.3	-45.7	177.8	174.2	0	0	0	0	110.8	E876 E877 N883 S884	E876-V880 WeakPolarHBondContact O-CG2 3.31Å; E876-V880 PolarHBondContact O-N 3.16Å; E877-V880 PolarHBondContact O-N 3.06Å; V880-N883 PolarHBondContact O-N 3.38Å; V880-S884 PolarHBondContact O-N 2.65Å
881	L	33.1	Very low	43.8	Very low	112 Å²	112	97 Å²	97	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-46.5	178.5	-152.9	85.4	0	0	0	111.9	E877 N883 S884 L885	E877-L881 PolarHBondContact O-N 3.16Å; L881-N883 VanDerWaalsContact C-N 3.3Å; L881-N883 PolarHBondContact O-N 3.45Å; L881-S884 PolarHBondContact O-N 3.06Å; L881-L885 WeakPolarHBondContact O-CG 3.26Å; L881-L885 PolarHBondContact O-N 3.04Å
882	M	30.4	Very low	45.9	Very low	109 Å²	109	90.1 Å²	90.1	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-36.2	175.5	-73.5	-66.2	-67.5	0	0	112.3	T878 K879 L885 N886	T878-M882 WeakPolarHBondContact O-CB 3.27Å; T878-M882 WeakPolarHBondContact O-CG 3.35Å; T878-M882 PolarHBondContact O-N 3.43Å; T878-M882 VanDerWaalsContact O-N 3.07Å; K879-M882 PolarHBondContact O-N 3.27Å; M882-L885 PolarHBondContact O-N 3.3Å; M882-N886 VanDerWaalsContact O-CB 3.25Å; M882-N886 WeakPolarHBondContact O-CB 3.37Å; M882-N886 PolarHBondContact O-N 3Å; M882-N886 PolarHBondContact O-ND2 3.29Å
883	N	42.8	Very low	47.7	Very low	102 Å²	102	86.4 Å²	86.4	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-41.4	175.9	-73.5	-11.8	0	0	0	111.9	K879 V880 L881 F887	K879-N883 VanDerWaalsContact O-CB 3.22Å; K879-N883 WeakPolarHBondContact O-CB 3.31Å; K879-N883 PolarHBondContact O-N 3.23Å; K879-N883 PolarHBondContact O-ND2 2.94Å; K879-N883 PolarHBondContact O-OD1 3.28Å; V880-N883 PolarHBondContact O-N 3.38Å; L881-N883 VanDerWaalsContact C-N 3.3Å; L881-N883 PolarHBondContact O-N 3.45Å; N883-F887 WeakPolarHBondContact O-CB 3.33Å; N883-F887 PolarHBondContact O-N 2.9Å
884	S	43.2	Very low	49.8	Very low	36 Å²	36	82.3 Å²	82.3	25%	0.252	42%	0.417	S	S	.	.	H	α-helix	trans	-61.5	-44.1	173.4	172.2	0	0	0	0	111.8	V880 L881 F887 R888	V880-S884 PolarHBondContact O-N 2.65Å; L881-S884 PolarHBondContact O-N 3.06Å; S884-F887 PolarHBondContact O-N 3.02Å; S884-R888 PolarHBondContact O-N 3.22Å; S884-R888 PolarHBondContact OG-NH2 3.37Å; S884-R888 VanDerWaalsContact OG-NH2 3.09Å
885	L	49.2	Very low	52	Low	65 Å²	65	80.8 Å²	80.8	34%	0.34	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-50.6	177.2	-70.2	168.8	0	0	0	111.1	L881 M882 F887 R888 Y889	L881-L885 WeakPolarHBondContact O-CG 3.26Å; L881-L885 PolarHBondContact O-N 3.04Å; M882-L885 PolarHBondContact O-N 3.3Å; L885-F887 VanDerWaalsContact C-N 3.26Å; L885-F887 PolarHBondContact O-N 2.69Å; L885-R888 PolarHBondContact O-N 3.38Å; L885-Y889 WeakPolarHBondContact O-CD2 3.33Å; L885-Y889 PolarHBondContact O-N 3.29Å
886	N	55.6	Low	53.8	Low	90 Å²	90	75 Å²	75	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-36.1	176.5	-74	-26.6	0	0	0	112.4	M882 K890	M882-N886 VanDerWaalsContact O-CB 3.25Å; M882-N886 WeakPolarHBondContact O-CB 3.37Å; M882-N886 PolarHBondContact O-N 3Å; M882-N886 PolarHBondContact O-ND2 3.29Å; N886-K890 WeakPolarHBondContact O-CB 3.37Å; N886-K890 PolarHBondContact O-N 3.12Å
887	F	60	Low	55.2	Low	106 Å²	106	71.5 Å²	71.5	47%	0.465	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-50.5	175.9	-177.8	-100.7	0	0	0	111.7	E559 N883 S884 L885 Y889 K890 L891	E559-F887 HydrophobicContact CG-CE1 4.41Å; N883-F887 WeakPolarHBondContact O-CB 3.33Å; N883-F887 PolarHBondContact O-N 2.9Å; S884-F887 PolarHBondContact O-N 3.02Å; L885-F887 VanDerWaalsContact C-N 3.26Å; L885-F887 PolarHBondContact O-N 2.69Å; F887-Y889 PolarHBondContact O-N 3.27Å; F887-K890 PolarHBondContact O-N 3.03Å; F887-L891 HydrophobicContact CE1-CD2 4.23Å; F887-L891 WeakPolarHBondContact O-CB 3.5Å; F887-L891 PolarHBondContact O-N 3.08Å
888	R	63.3	Low	56.8	Low	63 Å²	63	66.3 Å²	66.3	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-44.9	175.3	-88.9	-176.5	-79.2	179.4	-5.1	112.2	D556 E559 S884 L885 L891 L892	D556-R888 IonicContact OD1-NH1 3.41Å; D556-R888 PolarHBondContact OD1-NH1 2.89Å; E559-R888 HydrophobicContact CB-CG 4.41Å; E559-R888 WeakPolarHBondContact OE2-CD 3.28Å; E559-R888 WeakPolarHBondContact OE2-CG 3.42Å; E559-R888 IonicContact OE2-NE 2.74Å; E559-R888 PolarHBondContact OE2-NE 2.71Å; S884-R888 PolarHBondContact O-N 3.22Å; S884-R888 PolarHBondContact OG-NH2 3.37Å; S884-R888 VanDerWaalsContact OG-NH2 3.09Å; L885-R888 PolarHBondContact O-N 3.38Å; R888-L891 PolarHBondContact O-N 3.35Å; R888-L892 VanDerWaalsContact O-CB 3.29Å; R888-L892 WeakPolarHBondContact O-CB 3.48Å; R888-L892 PolarHBondContact O-N 2.82Å
889	Y	65.1	Low	58.5	Low	114 Å²	114	64.2 Å²	64.2	45%	0.447	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-43.2	174.8	-78.8	-61.5	0	0	0	112.3	I852 L885 F887 S893	I852-Y889 HydrophobicContact CD1-CE1 3.89Å; I852-Y889 HydrophobicContact CD1-CE2 4.28Å; L885-Y889 WeakPolarHBondContact O-CD2 3.33Å; L885-Y889 PolarHBondContact O-N 3.29Å; F887-Y889 PolarHBondContact O-N 3.27Å; Y889-S893 VanDerWaalsContact O-CB 3.25Å; Y889-S893 WeakPolarHBondContact O-CB 3.14Å; Y889-S893 PolarHBondContact O-N 3.01Å; Y889-S893 PolarHBondContact O-OG 3.4Å
890	K	66.8	Low	59.4	Low	93 Å²	93	59.1 Å²	59.1	40%	0.404	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-41	176.6	-173.6	174.5	179.4	-179.1	0	111.8	S572 N886 F887 S893 S894	S572-K890 VanDerWaalsContact OG-CE 3.28Å; S572-K890 WeakPolarHBondContact OG-CE 3.45Å; S572-K890 PolarHBondContact OG-NZ 3.32Å; N886-K890 WeakPolarHBondContact O-CB 3.37Å; N886-K890 PolarHBondContact O-N 3.12Å; F887-K890 PolarHBondContact O-N 3.03Å; K890-S893 PolarHBondContact O-N 3.04Å; K890-S894 WeakPolarHBondContact O-CB 2.77Å; K890-S894 PolarHBondContact O-N 3.02Å; K890-S894 PolarHBondContact O-OG 3.43Å
891	L	73	Confident	59.9	Low	24 Å²	24	59.4 Å²	59.4	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-50.7	179.3	-175.6	59.9	0	0	0	111.1	L558 E559 M568 F887 R888 S893 S894 Y895	L558-L891 HydrophobicContact CB-CD2 3.73Å; L558-L891 HydrophobicContact CB-CG 3.97Å; E559-L891 HydrophobicContact CB-CD2 4.42Å; M568-L891 HydrophobicContact CE-CD1 3.87Å; F887-L891 HydrophobicContact CE1-CD2 4.23Å; F887-L891 WeakPolarHBondContact O-CB 3.5Å; F887-L891 PolarHBondContact O-N 3.08Å; R888-L891 PolarHBondContact O-N 3.35Å; L891-S893 PolarHBondContact O-N 2.75Å; L891-S894 PolarHBondContact O-N 3.49Å; L891-S894 VanDerWaalsContact O-N 3.15Å; L891-S894 PolarHBondContact O-OG 3.5Å; L891-Y895 PolarHBondContact O-N 2.79Å
892	L	74.3	Confident	60.8	Low	16 Å²	16	57 Å²	57	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-45.8	174.5	-179.7	65.6	0	0	0	111.3	L554 E555 L558 R888 S894 Y895 Q896	L554-L892 HydrophobicContact CB-CD1 4.48Å; L554-L892 HydrophobicContact CD2-CD1 3.67Å; L554-L892 HydrophobicContact CG-CD1 3.88Å; E555-L892 HydrophobicContact CB-CD2 4.37Å; L558-L892 HydrophobicContact CD1-CD1 4.25Å; R888-L892 VanDerWaalsContact O-CB 3.29Å; R888-L892 WeakPolarHBondContact O-CB 3.48Å; R888-L892 PolarHBondContact O-N 2.82Å; L892-S894 VanDerWaalsContact C-N 3.34Å; L892-S894 PolarHBondContact O-N 2.81Å; L892-Y895 PolarHBondContact O-N 3.29Å; L892-Q896 HydrophobicContact CD1-CG 4.23Å; L892-Q896 HydrophobicContact CG-CG 4.49Å; L892-Q896 WeakPolarHBondContact O-CB 3.29Å; L892-Q896 WeakPolarHBondContact O-CG 3.3Å; L892-Q896 PolarHBondContact O-N 3.28Å
893	S	67.1	Low	62	Low	45 Å²	45	53.8 Å²	53.8	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-41.6	175.5	-56.6	0	0	0	0	112.1	Y889 K890 L891 Q896 L897	Y889-S893 VanDerWaalsContact O-CB 3.25Å; Y889-S893 WeakPolarHBondContact O-CB 3.14Å; Y889-S893 PolarHBondContact O-N 3.01Å; Y889-S893 PolarHBondContact O-OG 3.4Å; K890-S893 PolarHBondContact O-N 3.04Å; L891-S893 PolarHBondContact O-N 2.75Å; S893-Q896 PolarHBondContact O-N 3.02Å; S893-L897 VanDerWaalsContact O-CB 3.26Å; S893-L897 WeakPolarHBondContact O-CB 3.31Å; S893-L897 PolarHBondContact O-N 2.81Å
894	S	72.4	Confident	62.7	Low	7 Å²	7	50.8 Å²	50.8	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-37.6	179.9	72.6	0	0	0	0	112.4	K890 L891 L892 A898	K890-S894 WeakPolarHBondContact O-CB 2.77Å; K890-S894 PolarHBondContact O-N 3.02Å; K890-S894 PolarHBondContact O-OG 3.43Å; L891-S894 PolarHBondContact O-N 3.49Å; L891-S894 VanDerWaalsContact O-N 3.15Å; L891-S894 PolarHBondContact O-OG 3.5Å; L892-S894 VanDerWaalsContact C-N 3.34Å; L892-S894 PolarHBondContact O-N 2.81Å; S894-A898 WeakPolarHBondContact O-CB 3.34Å; S894-A898 PolarHBondContact O-N 3.31Å
895	Y	79.6	Confident	63.7	Low	12 Å²	12	50 Å²	50	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-50.6	172	171.4	-95.3	0	0	0	111	L554 L558 Y563 M568 L891 L892 L897 A898 R899 D909 L912	L554-Y895 HydrophobicContact CD1-CD1 4.48Å; L554-Y895 HydrophobicContact CD1-CE1 3.99Å; L554-Y895 HydrophobicContact CD2-CD1 4.01Å; L554-Y895 HydrophobicContact CD2-CE1 3.65Å; L554-Y895 HydrophobicContact CG-CE1 4.31Å; L558-Y895 HydrophobicContact CD1-CD1 4.13Å; L558-Y895 HydrophobicContact CD1-CD2 4.45Å; L558-Y895 HydrophobicContact CD1-CG 3.87Å; L558-Y895 HydrophobicContact CD2-CD2 3.88Å; L558-Y895 HydrophobicContact CD2-CE2 4.39Å; L558-Y895 HydrophobicContact CD2-CG 4.14Å; Y563-Y895 HydrophobicContact CD1-CD2 4.4Å; Y563-Y895 HydrophobicContact CE1-CD2 4.11Å; Y563-Y895 HydrophobicContact CE1-CE2 4.03Å; M568-Y895 HydrophobicContact SD-CD2 3.94Å; L891-Y895 PolarHBondContact O-N 2.79Å; L892-Y895 PolarHBondContact O-N 3.29Å; Y895-L897 PolarHBondContact O-N 3.19Å; Y895-A898 PolarHBondContact O-N 3.25Å; Y895-R899 WeakPolarHBondContact O-CB 3.43Å; Y895-R899 PolarHBondContact O-N 2.76Å; Y895-R899 PolarHBondContact OH-NH1 3.18Å; Y895-R899 VanDerWaalsContact OH-NH1 3.09Å; Y895-D909 WeakPolarHBondContact CE2-OD2 3.49Å; Y895-L912 HydrophobicContact CE2-CD2 3.86Å
896	Q	69	Low	64.7	Low	11 Å²	11	48 Å²	48	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-38.9	179.5	-73.2	172.2	-36.3	0	0	112.1	L842 L892 S893 N900	L842-Q896 HydrophobicContact CD1-CB 4.38Å; L842-Q896 HydrophobicContact CD1-CG 4.26Å; L842-Q896 VanDerWaalsContact CD1-NE2 3.32Å; L842-Q896 VanDerWaalsContact CD1-OE1 3.22Å; L892-Q896 HydrophobicContact CD1-CG 4.23Å; L892-Q896 HydrophobicContact CG-CG 4.49Å; L892-Q896 WeakPolarHBondContact O-CB 3.29Å; L892-Q896 WeakPolarHBondContact O-CG 3.3Å; L892-Q896 PolarHBondContact O-N 3.28Å; S893-Q896 PolarHBondContact O-N 3.02Å; Q896-N900 WeakPolarHBondContact O-CA 3.42Å; Q896-N900 WeakPolarHBondContact O-CB 3.37Å; Q896-N900 PolarHBondContact O-N 2.68Å
897	L	64.8	Low	65.6	Low	73 Å²	73	46.1 Å²	46.1	38%	0.382	23%	0.226	S	C	.	.	H	α-helix	trans	-68.1	-47.7	175.6	-160	87	0	0	0	111.6	A571 S893 Y895 R899 N901	A571-L897 HydrophobicContact CB-CB 4.49Å; A571-L897 HydrophobicContact CB-CD2 3.92Å; S893-L897 VanDerWaalsContact O-CB 3.26Å; S893-L897 WeakPolarHBondContact O-CB 3.31Å; S893-L897 PolarHBondContact O-N 2.81Å; Y895-L897 PolarHBondContact O-N 3.19Å; L897-R899 PolarHBondContact O-N 3.12Å; L897-N901 WeakPolarHBondContact O-CB 3.4Å; L897-N901 PolarHBondContact O-N 3.38Å; L897-N901 PolarHBondContact O-ND2 3.04Å
898	A	70.7	Confident	66.8	Low	15 Å²	15	41.6 Å²	41.6	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-31.5	179.1	0	0	0	0	0	112.8	R567 M568 S894 Y895	R567-A898 HydrophobicContact CB-CB 3.86Å; M568-A898 HydrophobicContact CB-CB 4.49Å; M568-A898 HydrophobicContact CG-CB 3.75Å; S894-A898 WeakPolarHBondContact O-CB 3.34Å; S894-A898 PolarHBondContact O-N 3.31Å; Y895-A898 PolarHBondContact O-N 3.25Å
899	R	70	Confident	67.9	Low	32 Å²	32	40 Å²	40	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-90.7	-48.1	-178.7	-172.4	173.7	162.7	-166	-18.9	113.1	Y895 L897 N901 M902 E903 P904 E905 I907	Y895-R899 WeakPolarHBondContact O-CB 3.43Å; Y895-R899 PolarHBondContact O-N 2.76Å; Y895-R899 PolarHBondContact OH-NH1 3.18Å; Y895-R899 VanDerWaalsContact OH-NH1 3.09Å; L897-R899 PolarHBondContact O-N 3.12Å; R899-N901 PolarHBondContact O-N 3.32Å; R899-M902 CarbonylContact O-C 3.55Å; R899-M902 WeakPolarHBondContact O-CA 3.31Å; R899-M902 PolarHBondContact O-N 3.36Å; R899-E903 HydrophobicContact CG-CB 4.43Å; R899-E903 HydrophobicContact CG-CG 4Å; R899-E903 PolarHBondContact O-N 2.94Å; R899-P904 PolarHBondContact NH2-O 2.71Å; R899-P904 VanDerWaalsContact NH2-O 3.16Å; R899-E905 PolarHBondContact NH2-O 3.1Å; R899-E905 VanDerWaalsContact NH2-O 3.1Å; R899-I907 PolarHBondContact NH2-O 3.31Å
900	N	55.3	Low	69	Low	13 Å²	13	35.2 Å²	35.2	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-74.6	-7.3	-175.1	-62	-7.5	0	0	0	113.4	A839 R843 Q896 M902 E905	A839-N900 HydrophobicContact CB-CB 4.48Å; A839-N900 WeakPolarHBondContact CB-ND2 3.48Å; R843-N900 PolarHBondContact NH2-O 2.95Å; Q896-N900 WeakPolarHBondContact O-CA 3.42Å; Q896-N900 WeakPolarHBondContact O-CB 3.37Å; Q896-N900 PolarHBondContact O-N 2.68Å; N900-M902 VanDerWaalsContact C-N 3.32Å; N900-E905 PolarHBondContact ND2-OE1 3.16Å; N900-E905 VanDerWaalsContact OD1-CG 3.28Å; N900-E905 WeakPolarHBondContact OD1-CG 3.39Å
901	N	51.4	Low	70.1	Confident	110 Å²	110	34.9 Å²	34.9	59%	0.588	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-11	165.2	-71.2	-2.6	0	0	0	112.8	L897 R899	L897-N901 WeakPolarHBondContact O-CB 3.4Å; L897-N901 PolarHBondContact O-N 3.38Å; L897-N901 PolarHBondContact O-ND2 3.04Å; R899-N901 PolarHBondContact O-N 3.32Å
902	M	52.2	Low	70.9	Confident	60 Å²	60	33.8 Å²	33.8	30%	0.296	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-62.8	-178.4	-59.7	-63.5	-55.3	0	0	111.1	R899 N900 H1900	R899-M902 CarbonylContact O-C 3.55Å; R899-M902 WeakPolarHBondContact O-CA 3.31Å; R899-M902 PolarHBondContact O-N 3.36Å; N900-M902 VanDerWaalsContact C-N 3.32Å; M902-H1900 PolarHBondContact O-CD2 2.96Å; M902-H1900 PolarHBondContact O-NE2 2.98Å
903	E	55.6	Low	71.8	Confident	42 Å²	42	33 Å²	33	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	-112.4	148	-167.9	-19.3	-94.3	126	0	0	111.2	R899 I907 R1178 H1900	R899-E903 HydrophobicContact CG-CB 4.43Å; R899-E903 HydrophobicContact CG-CG 4Å; R899-E903 PolarHBondContact O-N 2.94Å; E903-I907 HydrophobicContact CB-CD1 4.44Å; E903-R1178 IonicContact OE1-CZ 3.75Å; E903-R1178 IonicContact OE1-NH1 3.71Å; E903-R1178 PolarHBondContact OE1-NH1 2.94Å; E903-R1178 IonicContact OE1-NH2 2.8Å; E903-R1178 PolarHBondContact OE1-NH2 3.31Å; E903-R1178 IonicContact OE2-NH2 2.68Å; E903-R1178 PolarHBondContact OE2-NH2 3.1Å; E903-H1900 WeakPolarHBondContact CA-NE2 3.38Å; E903-H1900 WeakPolarHBondContact CB-CE1 3.27Å; E903-H1900 WeakPolarHBondContact CB-NE2 3.47Å; E903-H1900 WeakPolarHBondContact CG-NE2 3.37Å; E903-H1900 PolarHBondContact N-NE2 3.12Å; E903-H1900 VanDerWaalsContact N-NE2 3.12Å; E903-H1900 IonicContact OE1-CD2 3.62Å; E903-H1900 IonicContact OE1-CE1 3.78Å; E903-H1900 IonicContact OE1-NE2 3.54Å; E903-H1900 PolarHBondContact OE1-NE2 3.25Å; E903-H1900 IonicContact OE2-CE1 3.52Å; E903-H1900 PolarHBondContact OE2-CE1 2.97Å; E903-H1900 IonicContact OE2-NE2 3.84Å; E903-H1900 PolarHBondContact OE2-NE2 3.25Å
904	P	58.3	Low	73	Confident	39 Å²	39	31.9 Å²	31.9	25%	0.253	17%	0.169	S	C	.	.			trans	-63.3	153.4	158.6	28.5	-35.3	0	0	0	111.7	R899 T906 I907	R899-P904 PolarHBondContact NH2-O 2.71Å; R899-P904 VanDerWaalsContact NH2-O 3.16Å; P904-T906 PolarHBondContact O-N 3.26Å; P904-I907 HydrophobicContact CG-CD1 3.81Å; P904-I907 HydrophobicContact CG-CG1 4.11Å; P904-I907 PolarHBondContact O-N 2.75Å
905	E	64.2	Low	73.8	Confident	19 Å²	19	33.2 Å²	33.2	9%	0.089	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.9	-179.1	-62.2	179.2	150.2	0	0	112.9	R899 N900 I907 W1031 R1060	R899-E905 PolarHBondContact NH2-O 3.1Å; R899-E905 VanDerWaalsContact NH2-O 3.1Å; N900-E905 PolarHBondContact ND2-OE1 3.16Å; N900-E905 VanDerWaalsContact OD1-CG 3.28Å; N900-E905 WeakPolarHBondContact OD1-CG 3.39Å; E905-I907 VanDerWaalsContact C-N 3.27Å; E905-I907 PolarHBondContact O-N 2.75Å; E905-W1031 HydrophobicContact CB-CZ2 3.95Å; E905-R1060 IonicContact OE2-CZ 3.46Å; E905-R1060 IonicContact OE2-NH1 3.13Å; E905-R1060 IonicContact OE2-NH2 2.69Å; E905-R1060 PolarHBondContact OE2-NH2 2.96Å
906	T	69.8	Low	74.5	Confident	25 Å²	25	32.6 Å²	32.6	15%	0.153	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.4	177.7	51.5	0	0	0	0	115.1	P904 L1012 N1029	P904-T906 PolarHBondContact O-N 3.26Å; T906-L1012 HydrophobicContact CG2-CD2 4.16Å; T906-L1012 VanDerWaalsContact O-CD1 3.31Å; T906-L1012 WeakPolarHBondContact O-CD1 3.32Å; T906-N1029 WeakPolarHBondContact O-CB 3.2Å; T906-N1029 PolarHBondContact O-ND2 3.21Å
907	I	75.2	Confident	75.6	Confident	50 Å²	50	32.1 Å²	32.1	26%	0.256	18%	0.176	S	C	.	.	S	Bend	trans	-89.7	156.8	168.2	-70.4	173.9	0	0	0	109.8	R899 E903 P904 E905 H1900	R899-I907 PolarHBondContact NH2-O 3.31Å; E903-I907 HydrophobicContact CB-CD1 4.44Å; P904-I907 HydrophobicContact CG-CD1 3.81Å; P904-I907 HydrophobicContact CG-CG1 4.11Å; P904-I907 PolarHBondContact O-N 2.75Å; E905-I907 VanDerWaalsContact C-N 3.27Å; E905-I907 PolarHBondContact O-N 2.75Å; I907-H1900 WeakPolarHBondContact CD1-CE1 3.46Å
908	V	84.4	Confident	76.8	Confident	11 Å²	11	30.9 Å²	30.9	7%	0.067	17%	0.171	C	C	.	.			trans	-88.8	124.1	174.6	-177.2	0	0	0	0	110.8	H910 L913 L933 P934 E938 L1012	V908-H910 VanDerWaalsContact C-N 3.34Å; V908-H910 PolarHBondContact O-N 3.3Å; V908-L913 HydrophobicContact CG1-CD2 3.93Å; V908-L933 HydrophobicContact CB-CD2 4.49Å; V908-L933 HydrophobicContact CG1-CD2 3.86Å; V908-L933 HydrophobicContact CG2-CD2 4.02Å; V908-P934 HydrophobicContact CG2-CG 4.16Å; V908-E938 WeakPolarHBondContact CB-OE2 3.46Å; V908-E938 HydrophobicContact CG2-CG 4.34Å; V908-E938 WeakPolarHBondContact CG2-OE2 3.45Å; V908-L1012 HydrophobicContact CG2-CD1 4.42Å
909	D	87.5	Confident	77.7	Confident	28 Å²	28	32.9 Å²	32.9	15%	0.15	18%	0.177	C	C	.	.			trans	-74	92.1	164.1	-174.6	-17.9	0	0	0	108.8	Y563 Y895 D911 L912 L913	Y563-D909 PolarHBondContact OH-OD1 2.95Å; Y563-D909 PolarHBondContact OH-OD2 3.24Å; Y895-D909 WeakPolarHBondContact CE2-OD2 3.49Å; D909-D911 PolarHBondContact O-N 3.12Å; D909-D911 WeakPolarHBondContact OD1-CA 3.23Å; D909-D911 WeakPolarHBondContact OD1-CB 3.49Å; D909-D911 PolarHBondContact OD1-N 3Å; D909-L912 HydrophobicContact CB-CB 4.06Å; D909-L912 VanDerWaalsContact CG-CB 3.49Å; D909-L912 PolarHBondContact OD1-N 3.36Å; D909-L913 VanDerWaalsContact O-CB 3.23Å; D909-L913 WeakPolarHBondContact O-CB 3.33Å; D909-L913 PolarHBondContact O-N 2.86Å
910	H	88.6	Confident	78.8	Confident	15 Å²	15	31.4 Å²	31.4	7%	0.069	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-23.5	176	-70.5	-31	0	0	0	113.9	V908 T914 E938 T941 R945	V908-H910 VanDerWaalsContact C-N 3.34Å; V908-H910 PolarHBondContact O-N 3.3Å; H910-T914 VanDerWaalsContact O-CB 3.28Å; H910-T914 WeakPolarHBondContact O-CB 3.13Å; H910-T914 PolarHBondContact O-N 2.91Å; H910-T914 PolarHBondContact O-OG1 2.86Å; H910-E938 IonicContact CE1-OE2 2.71Å; H910-E938 PolarHBondContact CE1-OE2 3.23Å; H910-E938 IonicContact NE2-OE2 3.38Å; H910-E938 PolarHBondContact NE2-OE2 3.05Å; H910-T941 VanDerWaalsContact CD2-CG2 3.48Å; H910-T941 WeakPolarHBondContact CD2-CG2 3.05Å; H910-T941 WeakPolarHBondContact NE2-CB 3.2Å; H910-T941 WeakPolarHBondContact NE2-CG2 3.28Å; H910-R945 VanDerWaalsContact CB-CZ 3.43Å
911	D	88.2	Confident	80.3	Confident	85 Å²	85	32.6 Å²	32.6	46%	0.455	18%	0.178	S	C	.	.	H	α-helix	trans	-80.2	-44.8	-177.1	-68.4	-62.4	0	0	0	109.8	Y563 D909 T914 A915 R945	Y563-D911 HydrophobicContact CE2-CB 4.28Å; Y563-D911 WeakPolarHBondContact OH-CB 3.09Å; D909-D911 PolarHBondContact O-N 3.12Å; D909-D911 WeakPolarHBondContact OD1-CA 3.23Å; D909-D911 WeakPolarHBondContact OD1-CB 3.49Å; D909-D911 PolarHBondContact OD1-N 3Å; D911-T914 PolarHBondContact O-N 3.5Å; D911-A915 WeakPolarHBondContact O-CB 3.36Å; D911-A915 PolarHBondContact O-N 2.93Å; D911-R945 IonicContact OD1-CZ 2.69Å; D911-R945 IonicContact OD1-NH1 3.98Å; D911-R945 PolarHBondContact OD1-NH1 2.86Å; D911-R945 IonicContact OD1-NH2 2.74Å; D911-R945 IonicContact OD2-CZ 3.84Å; D911-R945 IonicContact OD2-NH1 3.38Å; D911-R945 PolarHBondContact OD2-NH1 3.46Å; D911-R945 IonicContact OD2-NH2 3.34Å; D911-R945 PolarHBondContact OD2-NH2 3.23Å; D911-R945 VanDerWaalsContact OD2-NH2 3.13Å
912	L	91.1	Very high	81.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-44.8	167	176.1	59.1	0	0	0	111.7	L554 I557 L558 Y563 Y895 D909 T914 A915 L916 L1055	L554-L912 HydrophobicContact CD1-CD2 3.64Å; I557-L912 HydrophobicContact CG2-CD1 4.17Å; L558-L912 HydrophobicContact CD2-CD1 4.01Å; L558-L912 HydrophobicContact CD2-CD2 4.26Å; Y563-L912 HydrophobicContact CD1-CB 4.18Å; Y563-L912 HydrophobicContact CD1-CD1 3.71Å; Y563-L912 HydrophobicContact CD1-CG 4.41Å; Y563-L912 HydrophobicContact CD2-CB 4.47Å; Y563-L912 HydrophobicContact CD2-CD1 4.24Å; Y563-L912 HydrophobicContact CE1-CB 3.78Å; Y563-L912 HydrophobicContact CE1-CD1 4.21Å; Y563-L912 HydrophobicContact CE1-CG 4.45Å; Y563-L912 HydrophobicContact CE2-CB 4.14Å; Y563-L912 HydrophobicContact CG-CB 4.47Å; Y563-L912 HydrophobicContact CG-CD1 3.68Å; Y563-L912 PolarHBondContact OH-N 2.93Å; Y895-L912 HydrophobicContact CE2-CD2 3.86Å; D909-L912 HydrophobicContact CB-CB 4.06Å; D909-L912 VanDerWaalsContact CG-CB 3.49Å; D909-L912 PolarHBondContact OD1-N 3.36Å; L912-T914 VanDerWaalsContact C-N 3.33Å; L912-T914 PolarHBondContact O-N 3.4Å; L912-A915 PolarHBondContact O-N 3.12Å; L912-L916 WeakPolarHBondContact O-CB 3.5Å; L912-L916 PolarHBondContact O-N 2.93Å; L912-L1055 HydrophobicContact CD2-CD2 3.95Å; L912-L1055 HydrophobicContact CG-CD2 4.07Å
913	L	92.5	Very high	83.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-40	177.6	176	56	0	0	0	111.7	V908 D909 L916 I917 I931 L933 L942 I1008 L1055	V908-L913 HydrophobicContact CG1-CD2 3.93Å; D909-L913 VanDerWaalsContact O-CB 3.23Å; D909-L913 WeakPolarHBondContact O-CB 3.33Å; D909-L913 PolarHBondContact O-N 2.86Å; L913-L916 PolarHBondContact O-N 3.4Å; L913-I917 HydrophobicContact CD1-CD1 4.07Å; L913-I917 HydrophobicContact CD1-CG1 4.3Å; L913-I917 HydrophobicContact CG-CD1 4.08Å; L913-I917 WeakPolarHBondContact O-CB 3.38Å; L913-I917 WeakPolarHBondContact O-CD1 3.42Å; L913-I917 WeakPolarHBondContact O-CG1 3.5Å; L913-I917 PolarHBondContact O-N 3.24Å; L913-I931 HydrophobicContact CD1-CG2 4.11Å; L913-I931 HydrophobicContact CD2-CG2 4.4Å; L913-L933 HydrophobicContact CD2-CD2 3.83Å; L913-L942 HydrophobicContact CD2-CD1 4.14Å; L913-L942 HydrophobicContact CD2-CD2 3.75Å; L913-L942 HydrophobicContact CD2-CG 4.49Å; L913-L942 HydrophobicContact CG-CD1 4.18Å; L913-L942 HydrophobicContact CG-CD2 4.24Å; L913-I1008 HydrophobicContact CD1-CB 4.46Å; L913-I1008 HydrophobicContact CD1-CD1 4Å; L913-I1008 HydrophobicContact CD1-CG2 3.7Å; L913-L1055 HydrophobicContact CB-CD1 4.16Å; L913-L1055 HydrophobicContact CD1-CD1 3.94Å
914	T	91.5	Very high	85.2	Confident	22 Å²	22	31.4 Å²	31.4	14%	0.135	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-44.2	174.9	-59.2	0	0	0	0	111.1	H910 D911 L912 L916 I917 V918 L946 P953	H910-T914 VanDerWaalsContact O-CB 3.28Å; H910-T914 WeakPolarHBondContact O-CB 3.13Å; H910-T914 PolarHBondContact O-N 2.91Å; H910-T914 PolarHBondContact O-OG1 2.86Å; D911-T914 PolarHBondContact O-N 3.5Å; L912-T914 VanDerWaalsContact C-N 3.33Å; L912-T914 PolarHBondContact O-N 3.4Å; T914-L916 VanDerWaalsContact C-N 3.34Å; T914-L916 PolarHBondContact O-N 2.88Å; T914-I917 PolarHBondContact O-N 3.25Å; T914-V918 WeakPolarHBondContact O-CG2 3.23Å; T914-V918 PolarHBondContact O-N 3.45Å; T914-L946 HydrophobicContact CG2-CD2 4.14Å; T914-P953 HydrophobicContact CG2-CB 4.07Å; T914-P953 HydrophobicContact CG2-CG 3.96Å
915	A	90.3	Very high	86.5	Confident	34 Å²	34	34.1 Å²	34.1	28%	0.281	20%	0.203	S	C	.	.	H	α-helix	trans	-59.6	-42.4	175.4	0	0	0	0	0	112.3	Y563 D911 L912 V918 K919	Y563-A915 HydrophobicContact CD2-CB 4Å; D911-A915 WeakPolarHBondContact O-CB 3.36Å; D911-A915 PolarHBondContact O-N 2.93Å; L912-A915 PolarHBondContact O-N 3.12Å; A915-V918 PolarHBondContact O-N 3.39Å; A915-K919 WeakPolarHBondContact O-CB 3.11Å; A915-K919 PolarHBondContact O-N 2.92Å
916	L	94	Very high	87.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-44.1	175.4	176.1	59.4	0	0	0	112.2	I557 W560 T561 L912 L913 T914 V918 K919 I920 I1008 F1053 L1055	I557-L916 HydrophobicContact CD1-CD2 4.32Å; I557-L916 HydrophobicContact CG2-CD1 4.2Å; I557-L916 HydrophobicContact CG2-CD2 4.21Å; W560-L916 HydrophobicContact CE3-CD1 4.18Å; W560-L916 HydrophobicContact CZ3-CD1 3.79Å; T561-L916 HydrophobicContact CG2-CB 4.39Å; T561-L916 HydrophobicContact CG2-CD1 4.38Å; L912-L916 WeakPolarHBondContact O-CB 3.5Å; L912-L916 PolarHBondContact O-N 2.93Å; L913-L916 PolarHBondContact O-N 3.4Å; T914-L916 VanDerWaalsContact C-N 3.34Å; T914-L916 PolarHBondContact O-N 2.88Å; L916-V918 VanDerWaalsContact C-N 3.34Å; L916-V918 PolarHBondContact O-N 3.09Å; L916-K919 PolarHBondContact O-N 3.21Å; L916-I920 HydrophobicContact CD1-CD1 3.79Å; L916-I920 HydrophobicContact CD1-CG1 4.03Å; L916-I920 HydrophobicContact CG-CD1 3.83Å; L916-I920 HydrophobicContact CG-CG1 4.5Å; L916-I920 VanDerWaalsContact O-CG1 3.32Å; L916-I920 WeakPolarHBondContact O-CG1 3.38Å; L916-I920 PolarHBondContact O-N 3.2Å; L916-I1008 HydrophobicContact CD2-CD1 4Å; L916-I1008 HydrophobicContact CD2-CG1 4.17Å; L916-I1008 HydrophobicContact CD2-CG2 3.74Å; L916-I1008 HydrophobicContact CG-CD1 4.08Å; L916-F1053 HydrophobicContact CD1-CD1 4.05Å; L916-F1053 HydrophobicContact CD1-CE1 4.35Å; L916-F1053 HydrophobicContact CD1-CG 4.17Å; L916-F1053 HydrophobicContact CD2-CB 3.88Å; L916-F1053 HydrophobicContact CD2-CG 4.33Å; L916-L1055 HydrophobicContact CD2-CD2 3.88Å; L916-L1055 HydrophobicContact CD2-CG 4.44Å
917	I	92.8	Very high	88.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-47.2	175.7	-73.1	163.4	0	0	0	110.8	L913 T914 I920 D921 I931 L942 L946 W954 L988 I1008	L913-I917 HydrophobicContact CD1-CD1 4.07Å; L913-I917 HydrophobicContact CD1-CG1 4.3Å; L913-I917 HydrophobicContact CG-CD1 4.08Å; L913-I917 WeakPolarHBondContact O-CB 3.38Å; L913-I917 WeakPolarHBondContact O-CD1 3.42Å; L913-I917 WeakPolarHBondContact O-CG1 3.5Å; L913-I917 PolarHBondContact O-N 3.24Å; T914-I917 PolarHBondContact O-N 3.25Å; I917-I920 PolarHBondContact O-N 3.46Å; I917-D921 WeakPolarHBondContact O-CB 2.98Å; I917-D921 PolarHBondContact O-N 2.99Å; I917-I931 HydrophobicContact CD1-CD1 3.5Å; I917-I931 HydrophobicContact CG1-CD1 3.7Å; I917-L942 HydrophobicContact CD1-CD1 4.13Å; I917-L942 HydrophobicContact CD1-CD2 4.14Å; I917-L946 HydrophobicContact CD1-CD1 4.18Å; I917-L946 HydrophobicContact CD1-CD2 4.34Å; I917-W954 HydrophobicContact CG2-CH2 4.08Å; I917-W954 HydrophobicContact CG2-CZ2 3.79Å; I917-L988 HydrophobicContact CD1-CD2 4.44Å; I917-L988 HydrophobicContact CG1-CD2 4.48Å; I917-L988 HydrophobicContact CG2-CD2 3.72Å; I917-I1008 HydrophobicContact CG1-CD1 3.84Å
918	V	89.6	Confident	88.8	Confident	47 Å²	47	37.3 Å²	37.3	29%	0.285	21%	0.213	S	C	.	.	H	α-helix	trans	-63.6	-40.9	177.5	174.6	0	0	0	0	111.4	T914 A915 L916 D921 S922 P953	T914-V918 WeakPolarHBondContact O-CG2 3.23Å; T914-V918 PolarHBondContact O-N 3.45Å; A915-V918 PolarHBondContact O-N 3.39Å; L916-V918 VanDerWaalsContact C-N 3.34Å; L916-V918 PolarHBondContact O-N 3.09Å; V918-D921 PolarHBondContact O-N 3.22Å; V918-S922 VanDerWaalsContact O-CB 3.32Å; V918-S922 WeakPolarHBondContact O-CB 3.36Å; V918-S922 PolarHBondContact O-N 3.19Å; V918-S922 PolarHBondContact O-OG 3.05Å; V918-P953 HydrophobicContact CG2-CB 3.5Å; V918-P953 HydrophobicContact CG2-CG 4.15Å
919	K	90.5	Very high	89.2	Confident	58 Å²	58	36.9 Å²	36.9	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-46.6	177.4	-168.5	78	-174.2	-151.2	0	111.4	W560 T561 A915 L916 S922 S923	W560-K919 HydrophobicContact CD2-CG 3.79Å; W560-K919 HydrophobicContact CE3-CB 4.48Å; W560-K919 HydrophobicContact CE3-CG 3.68Å; W560-K919 HydrophobicContact CH2-CB 4.21Å; W560-K919 HydrophobicContact CH2-CG 3.54Å; W560-K919 HydrophobicContact CZ2-CG 3.67Å; W560-K919 HydrophobicContact CZ3-CB 4.07Å; W560-K919 HydrophobicContact CZ3-CG 3.55Å; W560-K919 WeakPolarHBondContact O-CE 3.46Å; W560-K919 PolarHBondContact O-NZ 3.42Å; T561-K919 HydrophobicContact CG2-CB 4.18Å; T561-K919 HydrophobicContact CG2-CG 4.33Å; A915-K919 WeakPolarHBondContact O-CB 3.11Å; A915-K919 PolarHBondContact O-N 2.92Å; L916-K919 PolarHBondContact O-N 3.21Å; K919-S922 PolarHBondContact O-OG 3.15Å; K919-S923 WeakPolarHBondContact O-CB 3.43Å; K919-S923 PolarHBondContact O-N 2.6Å; K919-S923 PolarHBondContact O-OG 2.88Å
920	I	91.4	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-44.7	175.4	-66.9	163.1	0	0	0	110.7	W560 L916 I917 L924 I929 R986 Y1006 I1008 F1053	W560-I920 HydrophobicContact CH2-CG1 4.06Å; W560-I920 HydrophobicContact CZ3-CG1 4.03Å; L916-I920 HydrophobicContact CD1-CD1 3.79Å; L916-I920 HydrophobicContact CD1-CG1 4.03Å; L916-I920 HydrophobicContact CG-CD1 3.83Å; L916-I920 HydrophobicContact CG-CG1 4.5Å; L916-I920 VanDerWaalsContact O-CG1 3.32Å; L916-I920 WeakPolarHBondContact O-CG1 3.38Å; L916-I920 PolarHBondContact O-N 3.2Å; I917-I920 PolarHBondContact O-N 3.46Å; I920-L924 HydrophobicContact CB-CD1 4.47Å; I920-L924 HydrophobicContact CG1-CD1 4.22Å; I920-L924 HydrophobicContact CG2-CD1 4.3Å; I920-L924 WeakPolarHBondContact O-CB 3.25Å; I920-L924 PolarHBondContact O-N 3.03Å; I920-L924 VanDerWaalsContact O-N 3.17Å; I920-I929 HydrophobicContact CB-CD1 4.19Å; I920-I929 HydrophobicContact CG2-CD1 3.63Å; I920-I929 HydrophobicContact CG2-CG1 4.03Å; I920-R986 PolarHBondContact O-NH2 3.34Å; I920-Y1006 HydrophobicContact CG2-CD1 4.12Å; I920-Y1006 HydrophobicContact CG2-CD2 3.9Å; I920-Y1006 HydrophobicContact CG2-CE2 4.41Å; I920-Y1006 HydrophobicContact CG2-CG 3.74Å; I920-I1008 HydrophobicContact CD1-CD1 3.72Å; I920-I1008 HydrophobicContact CD1-CG1 3.95Å; I920-F1053 HydrophobicContact CD1-CD2 3.63Å; I920-F1053 HydrophobicContact CD1-CE2 3.54Å; I920-F1053 HydrophobicContact CD1-CG 4.45Å; I920-F1053 HydrophobicContact CD1-CZ 4.3Å; I920-F1053 HydrophobicContact CG1-CD2 4.29Å; I920-F1053 HydrophobicContact CG1-CE2 3.7Å; I920-F1053 HydrophobicContact CG1-CZ 4.05Å
921	D	87.4	Confident	89.8	Confident	39 Å²	39	34.8 Å²	34.8	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-42.6	-177	-174.1	44.8	0	0	0	113	I917 V918 W954 R986	I917-D921 WeakPolarHBondContact O-CB 2.98Å; I917-D921 PolarHBondContact O-N 2.99Å; V918-D921 PolarHBondContact O-N 3.22Å; D921-W954 PolarHBondContact OD2-NE1 3.05Å; D921-R986 PolarHBondContact O-NH2 3.33Å; D921-R986 VanDerWaalsContact OD1-CD 3.29Å; D921-R986 WeakPolarHBondContact OD1-CD 3.25Å; D921-R986 IonicContact OD1-CZ 3.93Å; D921-R986 IonicContact OD1-NE 2.67Å; D921-R986 PolarHBondContact OD1-NE 3.06Å; D921-R986 IonicContact OD1-NH2 3.73Å
922	S	86.1	Confident	90.2	Very high	90 Å²	90	30.8 Å²	30.8	63%	0.629	18%	0.178	S	C	*	.	H	α-helix	trans	-84	-26.5	-175.8	58.7	0	0	0	0	115.4	V918 K919	V918-S922 VanDerWaalsContact O-CB 3.32Å; V918-S922 WeakPolarHBondContact O-CB 3.36Å; V918-S922 PolarHBondContact O-N 3.19Å; V918-S922 PolarHBondContact O-OG 3.05Å; K919-S922 PolarHBondContact O-OG 3.15Å
923	S	87.7	Confident	90.2	Very high	60 Å²	60	30.7 Å²	30.7	42%	0.42	18%	0.178	S	C	.	.	H	α-helix	trans	-120.4	-9.8	-171.4	70.7	0	0	0	0	116.1	W560 K919	W560-S923 VanDerWaalsContact CZ2-OG 3.24Å; W560-S923 WeakPolarHBondContact CZ2-OG 3.45Å; K919-S923 WeakPolarHBondContact O-CB 3.43Å; K919-S923 PolarHBondContact O-N 2.6Å; K919-S923 PolarHBondContact O-OG 2.88Å
924	L	89.2	Confident	89.9	Confident	37 Å²	37	30.9 Å²	30.9	19%	0.194	18%	0.179	C	C	.	.	S	Bend	trans	-115.3	150.2	177.5	-58.3	179.9	0	0	0	111.9	W560 I920 R986 Y1006 I1051 F1053	W560-L924 HydrophobicContact CH2-CD1 3.57Å; W560-L924 HydrophobicContact CH2-CD2 4.4Å; W560-L924 HydrophobicContact CH2-CG 3.86Å; W560-L924 HydrophobicContact CZ2-CD1 4.06Å; W560-L924 HydrophobicContact CZ2-CD2 4.05Å; W560-L924 HydrophobicContact CZ2-CG 3.95Å; I920-L924 HydrophobicContact CB-CD1 4.47Å; I920-L924 HydrophobicContact CG1-CD1 4.22Å; I920-L924 HydrophobicContact CG2-CD1 4.3Å; I920-L924 WeakPolarHBondContact O-CB 3.25Å; I920-L924 PolarHBondContact O-N 3.03Å; I920-L924 VanDerWaalsContact O-N 3.17Å; L924-R986 PolarHBondContact O-NH2 3.25Å; L924-Y1006 HydrophobicContact CB-CE1 3.87Å; L924-Y1006 HydrophobicContact CD1-CD1 4.02Å; L924-Y1006 HydrophobicContact CD1-CE1 3.68Å; L924-Y1006 HydrophobicContact CG-CE1 4.4Å; L924-I1051 HydrophobicContact CD1-CD1 4.21Å; L924-F1053 HydrophobicContact CD1-CE2 4.3Å; L924-F1053 HydrophobicContact CD1-CZ 3.9Å
925	P	85.8	Confident	89.2	Confident	95 Å²	95	30.2 Å²	30.2	62%	0.617	18%	0.175	S	C	*	.			trans	-50.6	155.4	-179.3	-29.9	35.7	0	0	0	115	G927 R986 Y1006	P925-G927 PolarHBondContact O-N 3.09Å; P925-R986 PolarHBondContact O-NH1 3.44Å; P925-Y1006 WeakPolarHBondContact CD-OH 3.46Å; P925-Y1006 VanDerWaalsContact O-CE2 3.24Å; P925-Y1006 WeakPolarHBondContact O-CE2 3.41Å; P925-Y1006 PolarHBondContact O-OH 3Å
926	R	82.7	Confident	88.5	Confident	145 Å²	145	30.4 Å²	30.4	55%	0.547	17%	0.169	S	C	.	.	S	Bend	trans	-60.5	127.5	177.5	-71.7	-173	177.2	-154.8	-10.9	110.9	E958 R983 S984	R926-E958 IonicContact CZ-OE2 2.78Å; R926-E958 IonicContact NH1-OE2 3.22Å; R926-E958 IonicContact NH2-OE2 2.86Å; R926-E958 PolarHBondContact NH2-OE2 2.86Å; R926-R983 PolarHBondContact NH1-O 3.5Å; R926-S984 VanDerWaalsContact NH1-C 3.26Å; R926-S984 PolarHBondContact NH1-O 2.91Å
927	G	85.2	Confident	87.5	Confident	15 Å²	15	33.4 Å²	33.4	16%	0.155	18%	0.183	C	C	.	.			trans	-179.6	155.6	-178.6	0	0	0	0	0	109.8	P925 R986	P925-G927 PolarHBondContact O-N 3.09Å; G927-R986 WeakPolarHBondContact O-CG 3.49Å; G927-R986 PolarHBondContact O-NH1 3.15Å
928	V	89.3	Confident	87.1	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	139.1	-175.4	179.3	0	0	0	0	110.7	S981 K987 I989 D1003 V1004 V1005 Y1006	V928-S981 WeakPolarHBondContact CG2-OG 3.28Å; V928-K987 WeakPolarHBondContact CA-O 3.34Å; V928-K987 HydrophobicContact CG1-CB 4.46Å; V928-K987 HydrophobicContact CG1-CD 4.27Å; V928-K987 HydrophobicContact CG1-CG 3.91Å; V928-K987 WeakPolarHBondContact CG1-O 3.31Å; V928-K987 HydrophobicContact CG2-CB 4.02Å; V928-K987 HydrophobicContact CG2-CD 3.69Å; V928-K987 HydrophobicContact CG2-CG 3.95Å; V928-I989 HydrophobicContact CG1-CD1 3.88Å; V928-I989 HydrophobicContact CG1-CG1 3.96Å; V928-D1003 VanDerWaalsContact CB-O 3.27Å; V928-D1003 WeakPolarHBondContact CB-O 3.41Å; V928-D1003 HydrophobicContact CG2-CB 3.94Å; V928-D1003 VanDerWaalsContact CG2-CG 3.41Å; V928-D1003 WeakPolarHBondContact CG2-O 3.37Å; V928-D1003 WeakPolarHBondContact CG2-OD2 3.46Å; V928-D1003 PolarHBondContact N-O 3.18Å; V928-V1004 HydrophobicContact CB-CG2 4.07Å; V928-V1004 HydrophobicContact CG1-CG2 3.85Å; V928-V1005 PolarHBondContact O-N 3.31Å; V928-Y1006 PolarHBondContact O-N 2.9Å; V928-Y1006 VanDerWaalsContact O-N 3.1Å
929	I	92.9	Very high	87	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120	171.8	-46.4	179	0	0	0	108.4	I920 I931 K987 L988 I989 Y1006 I1008	I920-I929 HydrophobicContact CB-CD1 4.19Å; I920-I929 HydrophobicContact CG2-CD1 3.63Å; I920-I929 HydrophobicContact CG2-CG1 4.03Å; I929-I931 HydrophobicContact CG2-CD1 4.09Å; I929-I931 HydrophobicContact CG2-CG1 3.76Å; I929-K987 PolarHBondContact N-O 3.06Å; I929-K987 VanDerWaalsContact N-O 3.1Å; I929-L988 HydrophobicContact CB-CG 4.38Å; I929-L988 HydrophobicContact CD1-CD2 4.41Å; I929-L988 HydrophobicContact CD1-CG 4.38Å; I929-L988 CarbonylContact O-C 3.59Å; I929-L988 WeakPolarHBondContact O-CA 3.45Å; I929-I989 PolarHBondContact O-N 2.85Å; I929-Y1006 CarbonylContact C-O 3.59Å; I929-Y1006 WeakPolarHBondContact CA-O 3.47Å; I929-Y1006 HydrophobicContact CG1-CD2 4.27Å; I929-I1008 HydrophobicContact CG2-CD1 3.91Å; I929-I1008 HydrophobicContact CG2-CG1 4.04Å
930	L	93.4	Very high	86.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	169.2	176.6	62.5	0	0	0	108.8	F932 I989 A995 V1004 Y1006 I1007 I1008 R1043	L930-F932 HydrophobicContact CD2-CE2 3.75Å; L930-F932 HydrophobicContact CD2-CZ 3.86Å; L930-F932 HydrophobicContact CG-CD2 4.5Å; L930-F932 HydrophobicContact CG-CE2 3.99Å; L930-F932 HydrophobicContact CG-CZ 4.34Å; L930-I989 HydrophobicContact CD1-CB 3.88Å; L930-I989 HydrophobicContact CD1-CG2 3.78Å; L930-A995 HydrophobicContact CD1-CB 3.94Å; L930-A995 HydrophobicContact CD2-CB 4.14Å; L930-V1004 HydrophobicContact CB-CG1 3.88Å; L930-V1004 HydrophobicContact CB-CG2 4.06Å; L930-Y1006 PolarHBondContact N-O 2.84Å; L930-I1007 CarbonylContact O-C 3.52Å; L930-I1007 VanDerWaalsContact O-CA 3.31Å; L930-I1007 WeakPolarHBondContact O-CA 3.5Å; L930-I1008 PolarHBondContact O-N 3.12Å; L930-R1043 HydrophobicContact CD2-CB 3.92Å
931	I	95.4	Very high	86.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.8	-175.6	-53	-171.4	0	0	0	108.7	L913 I917 I929 L933 L942 L988 I989 L990 S991 I1008	L913-I931 HydrophobicContact CD1-CG2 4.11Å; L913-I931 HydrophobicContact CD2-CG2 4.4Å; I917-I931 HydrophobicContact CD1-CD1 3.5Å; I917-I931 HydrophobicContact CG1-CD1 3.7Å; I929-I931 HydrophobicContact CG2-CD1 4.09Å; I929-I931 HydrophobicContact CG2-CG1 3.76Å; I931-L933 HydrophobicContact CG2-CD1 4.35Å; I931-L933 HydrophobicContact CG2-CG 4.15Å; I931-L942 HydrophobicContact CD1-CD2 4.41Å; I931-L942 HydrophobicContact CG2-CD2 4.47Å; I931-L988 HydrophobicContact CD1-CD2 4.22Å; I931-I989 PolarHBondContact N-O 3.2Å; I931-L990 HydrophobicContact CB-CD2 4.08Å; I931-L990 HydrophobicContact CD1-CD2 3.7Å; I931-L990 HydrophobicContact CG1-CD2 4.14Å; I931-S991 PolarHBondContact O-N 3.17Å; I931-S991 VanDerWaalsContact O-O 3.1Å; I931-I1008 WeakPolarHBondContact CA-O 3.47Å; I931-I1008 HydrophobicContact CD1-CD1 3.9Å; I931-I1008 HydrophobicContact CG1-CB 4.27Å; I931-I1008 HydrophobicContact CG1-CD1 4.07Å; I931-I1008 HydrophobicContact CG1-CG1 4.35Å; I931-I1008 HydrophobicContact CG2-CB 4.28Å
932	F	94.8	Very high	86.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.1	174.7	-72.5	-83.3	0	0	0	110.6	L930 S991 A995 E996 I1007 I1008 C1010 R1040 R1043	L930-F932 HydrophobicContact CD2-CE2 3.75Å; L930-F932 HydrophobicContact CD2-CZ 3.86Å; L930-F932 HydrophobicContact CG-CD2 4.5Å; L930-F932 HydrophobicContact CG-CE2 3.99Å; L930-F932 HydrophobicContact CG-CZ 4.34Å; F932-S991 WeakPolarHBondContact CA-O 3.36Å; F932-A995 HydrophobicContact CE1-CB 3.71Å; F932-A995 HydrophobicContact CZ-CB 3.85Å; F932-E996 HydrophobicContact CE1-CB 4.04Å; F932-I1007 HydrophobicContact CD2-CG2 3.92Å; F932-I1007 HydrophobicContact CE2-CG2 3.91Å; F932-I1008 PolarHBondContact N-O 3.33Å; F932-C1010 WeakPolarHBondContact O-CB 3.46Å; F932-C1010 PolarHBondContact O-N 2.77Å; F932-C1010 PolarHBondContact O-SG 3Å; F932-R1040 HydrophobicContact CD1-CG 4.08Å; F932-R1040 HydrophobicContact CD2-CB 4.06Å; F932-R1040 HydrophobicContact CD2-CG 3.94Å; F932-R1040 HydrophobicContact CE1-CG 4.01Å; F932-R1040 HydrophobicContact CE2-CB 3.82Å; F932-R1040 HydrophobicContact CE2-CG 3.87Å; F932-R1040 HydrophobicContact CG-CG 4.05Å; F932-R1040 HydrophobicContact CZ-CB 4.22Å; F932-R1040 HydrophobicContact CZ-CG 3.91Å; F932-R1043 HydrophobicContact CZ-CG 4.34Å
933	L	92.7	Very high	86.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.			trans	-116.1	151.2	174.7	-70.5	162.3	0	0	0	109.2	V908 L913 I931 E938 I939 L942 S991 S992	V908-L933 HydrophobicContact CB-CD2 4.49Å; V908-L933 HydrophobicContact CG1-CD2 3.86Å; V908-L933 HydrophobicContact CG2-CD2 4.02Å; L913-L933 HydrophobicContact CD2-CD2 3.83Å; I931-L933 HydrophobicContact CG2-CD1 4.35Å; I931-L933 HydrophobicContact CG2-CG 4.15Å; L933-E938 HydrophobicContact CB-CB 4.14Å; L933-E938 HydrophobicContact CD2-CB 4.28Å; L933-I939 HydrophobicContact CB-CG1 3.83Å; L933-I939 HydrophobicContact CD1-CB 4.35Å; L933-I939 HydrophobicContact CD1-CG1 3.83Å; L933-I939 HydrophobicContact CG-CG1 4.47Å; L933-L942 HydrophobicContact CD1-CB 4.3Å; L933-L942 HydrophobicContact CD1-CD2 3.83Å; L933-S991 PolarHBondContact N-O 3.42Å; L933-S992 WeakPolarHBondContact O-CA 3.2Å
934	P	86.3	Confident	85.8	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.019	16%	0.16	C	C	.	.	S	Bend	trans	-72.4	-43.1	-173.1	23.5	-27.7	0	0	0	113	V908 E938 L1012 Y1014 N1029	V908-P934 HydrophobicContact CG2-CG 4.16Å; P934-E938 HydrophobicContact CG-CG 4.02Å; P934-L1012 HydrophobicContact CB-CB 3.83Å; P934-L1012 HydrophobicContact CG-CB 3.89Å; P934-L1012 HydrophobicContact CG-CD1 4.35Å; P934-Y1014 VanDerWaalsContact O-CB 3.27Å; P934-Y1014 WeakPolarHBondContact O-CB 3.4Å; P934-Y1014 PolarHBondContact O-N 3.43Å; P934-N1029 WeakPolarHBondContact CB-OD1 3.41Å; P934-N1029 HydrophobicContact CG-CB 4.49Å; P934-N1029 WeakPolarHBondContact CG-OD1 3.5Å
935	S	75.6	Confident	85.5	Confident	8 Å²	8	33 Å²	33	6%	0.056	17%	0.166	C	C	.	.	S	Bend	trans	-126.5	167.1	-172.6	89.1	0	0	0	0	113.8	E937 E938 I939	S935-E937 VanDerWaalsContact C-N 3.3Å; S935-E937 PolarHBondContact O-N 3.03Å; S935-E937 PolarHBondContact OG-N 3.35Å; S935-E938 PolarHBondContact O-N 3.28Å; S935-E938 WeakPolarHBondContact OG-CG 3.37Å; S935-E938 PolarHBondContact OG-N 3.01Å; S935-I939 VanDerWaalsContact O-CG1 3.32Å; S935-I939 WeakPolarHBondContact O-CG1 3.37Å; S935-I939 PolarHBondContact O-N 3.48Å
936	Y	76.2	Confident	85.5	Confident	39 Å²	39	28.6 Å²	28.6	15%	0.153	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-32.6	173.6	-173.3	-93.9	0	0	0	113.3	E938 I939 M940 I964 H966 V1236	Y936-E938 VanDerWaalsContact C-N 3.34Å; Y936-I939 WeakPolarHBondContact O-CB 3.27Å; Y936-I939 PolarHBondContact O-N 3.37Å; Y936-M940 HydrophobicContact CD1-CE 4.42Å; Y936-M940 HydrophobicContact CD1-CG 3.63Å; Y936-M940 HydrophobicContact CD2-CE 4.13Å; Y936-M940 HydrophobicContact CE1-CE 3.91Å; Y936-M940 HydrophobicContact CE1-CG 3.28Å; Y936-M940 HydrophobicContact CE1-SD 3.81Å; Y936-M940 HydrophobicContact CE2-CE 3.58Å; Y936-M940 HydrophobicContact CE2-SD 4.46Å; Y936-M940 HydrophobicContact CG-CG 4.46Å; Y936-M940 VanDerWaalsContact CZ-CE 3.47Å; Y936-M940 WeakPolarHBondContact O-CG 3.49Å; Y936-M940 PolarHBondContact O-N 2.81Å; Y936-I964 HydrophobicContact CE2-CG2 4.44Å; Y936-H966 HydrophobicContact CD2-CB 3.99Å; Y936-H966 AromaticContact CD2-CE1 3.99Å; Y936-H966 AromaticContact CD2-CG 3.6Å; Y936-H966 AromaticContact CD2-ND1 3.52Å; Y936-H966 HydrophobicContact CE2-CB 4.45Å; Y936-V1236 HydrophobicContact CD1-CG2 3.08Å; Y936-V1236 HydrophobicContact CE1-CG2 3.31Å; Y936-V1236 HydrophobicContact CG-CG2 3.76Å
937	E	73.1	Confident	85.4	Confident	62 Å²	62	25.5 Å²	25.5	29%	0.29	13%	0.131	S	C	.	.	H	α-helix	trans	-66.2	-39.3	179.5	-177.3	160.6	-135.1	0	0	111.2	S935 M940 T941 S1230 A1232 T1233	S935-E937 VanDerWaalsContact C-N 3.3Å; S935-E937 PolarHBondContact O-N 3.03Å; S935-E937 PolarHBondContact OG-N 3.35Å; E937-M940 PolarHBondContact O-N 3.18Å; E937-T941 VanDerWaalsContact O-CB 3.31Å; E937-T941 WeakPolarHBondContact O-CB 3.34Å; E937-T941 PolarHBondContact O-N 3.43Å; E937-T941 PolarHBondContact O-OG1 3.31Å; E937-S1230 WeakPolarHBondContact OE1-CB 3.34Å; E937-S1230 PolarHBondContact OE1-OG 3.25Å; E937-A1232 HydrophobicContact CG-CB 4.46Å; E937-T1233 PolarHBondContact OE1-OG1 3Å
938	E	84.5	Confident	84.8	Confident	24 Å²	24	26.6 Å²	26.6	11%	0.112	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-42.3	174	-59.3	-86.5	-158.7	0	0	111.1	V908 H910 L933 P934 S935 Y936 T941 L942 N1029	V908-E938 WeakPolarHBondContact CB-OE2 3.46Å; V908-E938 HydrophobicContact CG2-CG 4.34Å; V908-E938 WeakPolarHBondContact CG2-OE2 3.45Å; H910-E938 IonicContact CE1-OE2 2.71Å; H910-E938 PolarHBondContact CE1-OE2 3.23Å; H910-E938 IonicContact NE2-OE2 3.38Å; H910-E938 PolarHBondContact NE2-OE2 3.05Å; L933-E938 HydrophobicContact CB-CB 4.14Å; L933-E938 HydrophobicContact CD2-CB 4.28Å; P934-E938 HydrophobicContact CG-CG 4.02Å; S935-E938 PolarHBondContact O-N 3.28Å; S935-E938 WeakPolarHBondContact OG-CG 3.37Å; S935-E938 PolarHBondContact OG-N 3.01Å; Y936-E938 VanDerWaalsContact C-N 3.34Å; E938-T941 PolarHBondContact O-N 2.82Å; E938-L942 WeakPolarHBondContact O-CB 3.31Å; E938-L942 PolarHBondContact O-N 3.03Å; E938-N1029 PolarHBondContact OE1-ND2 3.08Å; E938-N1029 VanDerWaalsContact OE1-ND2 3.09Å
939	I	86.9	Confident	83.6	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-44.4	174.9	-64.4	169.8	0	0	0	111	L933 S935 Y936 R943 I964 L990	L933-I939 HydrophobicContact CB-CG1 3.83Å; L933-I939 HydrophobicContact CD1-CB 4.35Å; L933-I939 HydrophobicContact CD1-CG1 3.83Å; L933-I939 HydrophobicContact CG-CG1 4.47Å; S935-I939 VanDerWaalsContact O-CG1 3.32Å; S935-I939 WeakPolarHBondContact O-CG1 3.37Å; S935-I939 PolarHBondContact O-N 3.48Å; Y936-I939 WeakPolarHBondContact O-CB 3.27Å; Y936-I939 PolarHBondContact O-N 3.37Å; I939-R943 WeakPolarHBondContact O-CB 3.24Å; I939-R943 PolarHBondContact O-N 3.45Å; I939-I964 HydrophobicContact CG2-CG1 4.39Å; I939-I964 HydrophobicContact CG2-CG2 4.15Å; I939-L990 HydrophobicContact CG2-CB 3.78Å
940	M	81.5	Confident	82.3	Confident	26 Å²	26	36.3 Å²	36.3	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-38	177.4	-70.1	-52.9	106.2	0	0	112.6	Y936 E937 R943 G944 I964 A1232	Y936-M940 HydrophobicContact CD1-CE 4.42Å; Y936-M940 HydrophobicContact CD1-CG 3.63Å; Y936-M940 HydrophobicContact CD2-CE 4.13Å; Y936-M940 HydrophobicContact CE1-CE 3.91Å; Y936-M940 HydrophobicContact CE1-CG 3.28Å; Y936-M940 HydrophobicContact CE1-SD 3.81Å; Y936-M940 HydrophobicContact CE2-CE 3.58Å; Y936-M940 HydrophobicContact CE2-SD 4.46Å; Y936-M940 HydrophobicContact CG-CG 4.46Å; Y936-M940 VanDerWaalsContact CZ-CE 3.47Å; Y936-M940 WeakPolarHBondContact O-CG 3.49Å; Y936-M940 PolarHBondContact O-N 2.81Å; E937-M940 PolarHBondContact O-N 3.18Å; M940-R943 PolarHBondContact O-N 2.83Å; M940-G944 PolarHBondContact O-N 3.21Å; M940-I964 HydrophobicContact CE-CD1 3.62Å; M940-I964 HydrophobicContact CE-CG1 3.75Å; M940-I964 HydrophobicContact CE-CG2 4.03Å; M940-I964 HydrophobicContact SD-CD1 4.41Å; M940-A1232 HydrophobicContact CB-CB 3.45Å; M940-A1232 VanDerWaalsContact CB-CB 3.45Å; M940-A1232 HydrophobicContact CG-CB 3.74Å
941	T	81.5	Confident	80.9	Confident	55 Å²	55	42 Å²	42	34%	0.337	22%	0.22	S	C	.	.	H	α-helix	trans	-69	-43.7	-178.7	-57.7	0	0	0	0	110.9	H910 E937 E938 G944 R945	H910-T941 VanDerWaalsContact CD2-CG2 3.48Å; H910-T941 WeakPolarHBondContact CD2-CG2 3.05Å; H910-T941 WeakPolarHBondContact NE2-CB 3.2Å; H910-T941 WeakPolarHBondContact NE2-CG2 3.28Å; E937-T941 VanDerWaalsContact O-CB 3.31Å; E937-T941 WeakPolarHBondContact O-CB 3.34Å; E937-T941 PolarHBondContact O-N 3.43Å; E937-T941 PolarHBondContact O-OG1 3.31Å; E938-T941 PolarHBondContact O-N 2.82Å; T941-G944 PolarHBondContact O-N 3.02Å; T941-R945 WeakPolarHBondContact O-CG 3.14Å; T941-R945 PolarHBondContact O-N 2.93Å
942	L	88.8	Confident	79.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-47.9	169.2	-178.9	66.8	0	0	0	111.3	L913 I917 I931 L933 E938 G944 R945 L946 L990	L913-L942 HydrophobicContact CD2-CD1 4.14Å; L913-L942 HydrophobicContact CD2-CD2 3.75Å; L913-L942 HydrophobicContact CD2-CG 4.49Å; L913-L942 HydrophobicContact CG-CD1 4.18Å; L913-L942 HydrophobicContact CG-CD2 4.24Å; I917-L942 HydrophobicContact CD1-CD1 4.13Å; I917-L942 HydrophobicContact CD1-CD2 4.14Å; I931-L942 HydrophobicContact CD1-CD2 4.41Å; I931-L942 HydrophobicContact CG2-CD2 4.47Å; L933-L942 HydrophobicContact CD1-CB 4.3Å; L933-L942 HydrophobicContact CD1-CD2 3.83Å; E938-L942 WeakPolarHBondContact O-CB 3.31Å; E938-L942 PolarHBondContact O-N 3.03Å; L942-G944 PolarHBondContact O-N 3.11Å; L942-R945 PolarHBondContact O-N 3.34Å; L942-L946 HydrophobicContact CD1-CD1 4.16Å; L942-L946 HydrophobicContact CD1-CD2 4.33Å; L942-L946 HydrophobicContact CD1-CG 4.02Å; L942-L946 HydrophobicContact CD2-CD1 4.38Å; L942-L946 HydrophobicContact CG-CD1 3.9Å; L942-L946 HydrophobicContact CG-CG 4.15Å; L942-L946 VanDerWaalsContact O-CG 3.31Å; L942-L946 WeakPolarHBondContact O-CG 3.27Å; L942-L946 PolarHBondContact O-N 3.29Å; L942-L990 HydrophobicContact CD2-CD1 4.21Å; L942-L990 HydrophobicContact CD2-CD2 3.8Å; L942-L990 HydrophobicContact CG-CD1 4.41Å
943	R	86.3	Confident	78.5	Confident	96 Å²	96	44.9 Å²	44.9	36%	0.362	24%	0.239	S	C	.	.	H	α-helix	trans	-56.7	-39.8	177.9	-179.7	174.9	174.9	-82.6	-3.7	112.2	I939 M940 I947 I962 L990	I939-R943 WeakPolarHBondContact O-CB 3.24Å; I939-R943 PolarHBondContact O-N 3.45Å; M940-R943 PolarHBondContact O-N 2.83Å; R943-I947 HydrophobicContact CG-CD1 3.62Å; R943-I947 HydrophobicContact CG-CG1 4.44Å; R943-I947 WeakPolarHBondContact O-CB 3.26Å; R943-I947 VanDerWaalsContact O-CG1 3.29Å; R943-I947 WeakPolarHBondContact O-CG1 3.13Å; R943-I947 PolarHBondContact O-N 2.82Å; R943-I947 VanDerWaalsContact O-N 3.13Å; R943-I962 HydrophobicContact CG-CG2 4.26Å; R943-L990 HydrophobicContact CB-CD1 3.93Å
944	G	79.5	Confident	77.7	Confident	36 Å²	36	45.8 Å²	45.8	37%	0.371	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-56.7	173.8	0	0	0	0	0	111.3	M940 T941 L942 L946 I947 D948	M940-G944 PolarHBondContact O-N 3.21Å; T941-G944 PolarHBondContact O-N 3.02Å; L942-G944 PolarHBondContact O-N 3.11Å; G944-L946 VanDerWaalsContact C-N 3.27Å; G944-L946 PolarHBondContact O-N 2.97Å; G944-I947 PolarHBondContact O-N 3.11Å; G944-I947 VanDerWaalsContact O-N 3.11Å; G944-D948 WeakPolarHBondContact O-CB 3.22Å; G944-D948 PolarHBondContact O-N 2.67Å
945	R	82.6	Confident	76.6	Confident	87 Å²	87	55.8 Å²	55.8	33%	0.328	29%	0.285	S	S	.	.	H	α-helix	trans	-54.6	-38.7	178.1	-72.4	162.1	161.7	-101	13.1	113.3	H910 D911 T941 L942	H910-R945 VanDerWaalsContact CB-CZ 3.43Å; D911-R945 IonicContact OD1-CZ 2.69Å; D911-R945 IonicContact OD1-NH1 3.98Å; D911-R945 PolarHBondContact OD1-NH1 2.86Å; D911-R945 IonicContact OD1-NH2 2.74Å; D911-R945 IonicContact OD2-CZ 3.84Å; D911-R945 IonicContact OD2-NH1 3.38Å; D911-R945 PolarHBondContact OD2-NH1 3.46Å; D911-R945 IonicContact OD2-NH2 3.34Å; D911-R945 PolarHBondContact OD2-NH2 3.23Å; D911-R945 VanDerWaalsContact OD2-NH2 3.13Å; T941-R945 WeakPolarHBondContact O-CG 3.14Å; T941-R945 PolarHBondContact O-N 2.93Å; L942-R945 PolarHBondContact O-N 3.34Å
946	L	85.5	Confident	75.9	Confident	2 Å²	2	58 Å²	58	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-74.5	-30	179.4	-66.9	-177.3	0	0	0	113.7	T914 I917 L942 G944 S952 P953 W954 I962 L988	T914-L946 HydrophobicContact CG2-CD2 4.14Å; I917-L946 HydrophobicContact CD1-CD1 4.18Å; I917-L946 HydrophobicContact CD1-CD2 4.34Å; L942-L946 HydrophobicContact CD1-CD1 4.16Å; L942-L946 HydrophobicContact CD1-CD2 4.33Å; L942-L946 HydrophobicContact CD1-CG 4.02Å; L942-L946 HydrophobicContact CD2-CD1 4.38Å; L942-L946 HydrophobicContact CG-CD1 3.9Å; L942-L946 HydrophobicContact CG-CG 4.15Å; L942-L946 VanDerWaalsContact O-CG 3.31Å; L942-L946 WeakPolarHBondContact O-CG 3.27Å; L942-L946 PolarHBondContact O-N 3.29Å; G944-L946 VanDerWaalsContact C-N 3.27Å; G944-L946 PolarHBondContact O-N 2.97Å; L946-S952 PolarHBondContact O-OG 2.97Å; L946-S952 VanDerWaalsContact O-OG 3.11Å; L946-P953 HydrophobicContact CD2-CG 4.03Å; L946-W954 HydrophobicContact CB-CH2 4.38Å; L946-W954 HydrophobicContact CB-CZ3 3.98Å; L946-W954 HydrophobicContact CD1-CH2 4.34Å; L946-W954 HydrophobicContact CD2-CH2 3.78Å; L946-W954 HydrophobicContact CD2-CZ3 3.96Å; L946-W954 HydrophobicContact CG-CH2 4.38Å; L946-W954 HydrophobicContact CG-CZ3 4.42Å; L946-I962 HydrophobicContact CB-CD1 3.64Å; L946-I962 HydrophobicContact CD1-CD1 4.13Å; L946-L988 HydrophobicContact CD1-CD2 4.3Å
947	I	80.8	Confident	75.3	Confident	80 Å²	80	61.9 Å²	61.9	41%	0.41	33%	0.331	S	S	.	.	H	α-helix	trans	-97	-25	-175.2	-66.3	177.8	0	0	0	113.2	R943 G944 P949 I962	R943-I947 HydrophobicContact CG-CD1 3.62Å; R943-I947 HydrophobicContact CG-CG1 4.44Å; R943-I947 WeakPolarHBondContact O-CB 3.26Å; R943-I947 VanDerWaalsContact O-CG1 3.29Å; R943-I947 WeakPolarHBondContact O-CG1 3.13Å; R943-I947 PolarHBondContact O-N 2.82Å; R943-I947 VanDerWaalsContact O-N 3.13Å; G944-I947 PolarHBondContact O-N 3.11Å; G944-I947 VanDerWaalsContact O-N 3.11Å; I947-P949 WeakPolarHBondContact O-CD 3.49Å; I947-P949 VanDerWaalsContact O-N 3.14Å; I947-I962 HydrophobicContact CD1-CD1 4.28Å; I947-I962 HydrophobicContact CG1-CD1 3.74Å
948	D	72.5	Confident	75	Confident	37 Å²	37	63.6 Å²	63.6	20%	0.198	34%	0.339	C	S	.	.			trans	-52.9	115.2	-173.3	-163.4	43.1	0	0	0	111.5	G944 D950 N951 S952 K1221	G944-D948 WeakPolarHBondContact O-CB 3.22Å; G944-D948 PolarHBondContact O-N 2.67Å; D948-D950 PolarHBondContact O-N 2.87Å; D948-D950 VanDerWaalsContact O-N 3.08Å; D948-N951 HydrophobicContact CB-CB 4.46Å; D948-N951 PolarHBondContact O-N 2.94Å; D948-N951 VanDerWaalsContact O-N 3.16Å; D948-N951 PolarHBondContact OD2-ND2 2.73Å; D948-S952 WeakPolarHBondContact O-CA 3.48Å; D948-S952 WeakPolarHBondContact O-CB 3.27Å; D948-S952 PolarHBondContact O-N 2.91Å; D948-K1221 IonicContact OD1-NZ 3.6Å; D948-K1221 PolarHBondContact OD1-NZ 2.98Å; D948-K1221 IonicContact OD2-NZ 2.66Å
949	P	64.1	Low	74.4	Confident	75 Å²	75	65.4 Å²	65.4	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-169	-27.8	35.7	0	0	0	114.6	I947	I947-P949 WeakPolarHBondContact O-CD 3.49Å; I947-P949 VanDerWaalsContact O-N 3.14Å
950	D	65.4	Low	74.2	Confident	132 Å²	132	66 Å²	66	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-28.3	-175	-49.4	-51	0	0	0	112.4	D948	D948-D950 PolarHBondContact O-N 2.87Å; D948-D950 VanDerWaalsContact O-N 3.08Å
951	N	65.8	Low	74.3	Confident	121 Å²	121	68.1 Å²	68.1	65%	0.647	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	4.1	-174.9	-65.2	-67.8	0	0	0	113.6	D948	D948-N951 HydrophobicContact CB-CB 4.46Å; D948-N951 PolarHBondContact O-N 2.94Å; D948-N951 VanDerWaalsContact O-N 3.16Å; D948-N951 PolarHBondContact OD2-ND2 2.73Å
952	S	68	Low	74.6	Confident	21 Å²	21	67 Å²	67	15%	0.147	35%	0.353	C	S	.	.			trans	-58.9	128.8	-172.8	-169	0	0	0	0	110.9	L946 D948 W954	L946-S952 PolarHBondContact O-OG 2.97Å; L946-S952 VanDerWaalsContact O-OG 3.11Å; D948-S952 WeakPolarHBondContact O-CA 3.48Å; D948-S952 WeakPolarHBondContact O-CB 3.27Å; D948-S952 PolarHBondContact O-N 2.91Å; S952-W954 PolarHBondContact O-N 3.02Å; S952-W954 VanDerWaalsContact O-N 3.14Å
953	P	71.9	Confident	74.4	Confident	39 Å²	39	68.9 Å²	68.9	25%	0.253	36%	0.362	S	S	.	.	S	Bend	trans	-68.2	-16	-175.5	26	-34.1	0	0	0	113.2	T914 V918 L946	T914-P953 HydrophobicContact CG2-CB 4.07Å; T914-P953 HydrophobicContact CG2-CG 3.96Å; V918-P953 HydrophobicContact CG2-CB 3.5Å; V918-P953 HydrophobicContact CG2-CG 4.15Å; L946-P953 HydrophobicContact CD2-CG 4.03Å
954	W	74.3	Confident	74.3	Confident	18 Å²	18	66.1 Å²	66.1	7%	0.068	35%	0.353	C	S	.	.			trans	-94	108.3	177.5	-63	-79.3	0	0	0	112.1	I917 D921 L946 S952 K959 P960 I962	I917-W954 HydrophobicContact CG2-CH2 4.08Å; I917-W954 HydrophobicContact CG2-CZ2 3.79Å; D921-W954 PolarHBondContact OD2-NE1 3.05Å; L946-W954 HydrophobicContact CB-CH2 4.38Å; L946-W954 HydrophobicContact CB-CZ3 3.98Å; L946-W954 HydrophobicContact CD1-CH2 4.34Å; L946-W954 HydrophobicContact CD2-CH2 3.78Å; L946-W954 HydrophobicContact CD2-CZ3 3.96Å; L946-W954 HydrophobicContact CG-CH2 4.38Å; L946-W954 HydrophobicContact CG-CZ3 4.42Å; S952-W954 PolarHBondContact O-N 3.02Å; S952-W954 VanDerWaalsContact O-N 3.14Å; W954-K959 HydrophobicContact CB-CG 4.29Å; W954-P960 HydrophobicContact CD2-CG 3.98Å; W954-P960 HydrophobicContact CE3-CG 4.18Å; W954-P960 HydrophobicContact CH2-CG 3.59Å; W954-P960 HydrophobicContact CZ2-CG 3.35Å; W954-P960 HydrophobicContact CZ3-CG 4Å; W954-I962 HydrophobicContact CZ3-CD1 4.4Å
955	K	63.7	Low	74.4	Confident	214 Å²	214	64.4 Å²	64.4	93%	0.93	34%	0.336	S	S	*	.			trans	-79.5	-4.3	168.1	-61.2	-177.4	-179	179.2	0	113.3
956	S	61.6	Low	74.1	Confident	53 Å²	53	61.3 Å²	61.3	37%	0.371	33%	0.325	S	S	.	.	S	Bend	trans	-88.7	153.6	178.3	48.8	0	0	0	0	112.1	E958	S956-E958 VanDerWaalsContact C-N 3.33Å
957	P	62.4	Low	73.2	Confident	122 Å²	122	63.9 Å²	63.9	79%	0.792	34%	0.342	S	S	*	.	S	Bend	trans	-74.2	-22.5	173.3	30.4	-35.2	0	0	0	113	K959	P957-K959 PolarHBondContact O-N 3.4Å
958	E	66.9	Low	72.2	Confident	97 Å²	97	65.1 Å²	65.1	45%	0.453	34%	0.341	S	S	.	.			trans	-75.7	58.2	174.5	-64.1	-165.6	176	0	0	111.7	R926 S956	R926-E958 IonicContact CZ-OE2 2.78Å; R926-E958 IonicContact NH1-OE2 3.22Å; R926-E958 IonicContact NH2-OE2 2.86Å; R926-E958 PolarHBondContact NH2-OE2 2.86Å; S956-E958 VanDerWaalsContact C-N 3.33Å
959	K	72.9	Confident	71.9	Confident	63 Å²	63	64.8 Å²	64.8	27%	0.274	34%	0.339	S	S	.	.			trans	-63.3	134.1	176	-72.5	174	175.9	171.1	0	109.9	W954 P957 E1776	W954-K959 HydrophobicContact CB-CG 4.29Å; P957-K959 PolarHBondContact O-N 3.4Å; K959-E1776 IonicContact NZ-OE1 3.6Å; K959-E1776 PolarHBondContact NZ-OE1 2.88Å
960	P	82	Confident	71.6	Confident	11 Å²	11	67.2 Å²	67.2	7%	0.071	35%	0.347	C	S	.	.			trans	-80.5	154.9	-173.2	33.9	-36.7	0	0	0	112.2	W954 I962 R986 L988	W954-P960 HydrophobicContact CD2-CG 3.98Å; W954-P960 HydrophobicContact CE3-CG 4.18Å; W954-P960 HydrophobicContact CH2-CG 3.59Å; W954-P960 HydrophobicContact CZ2-CG 3.35Å; W954-P960 HydrophobicContact CZ3-CG 4Å; P960-I962 PolarHBondContact O-N 3.03Å; P960-R986 CarbonylContact C-O 3.5Å; P960-R986 VanDerWaalsContact CA-O 3.26Å; P960-R986 WeakPolarHBondContact CA-O 3.37Å; P960-R986 HydrophobicContact CB-CB 4.04Å; P960-R986 VanDerWaalsContact CB-O 3.23Å; P960-R986 WeakPolarHBondContact CB-O 3.42Å; P960-L988 HydrophobicContact CB-CD1 3.52Å; P960-L988 HydrophobicContact CG-CD1 3.57Å
961	L	84.2	Confident	71.4	Confident	71 Å²	71	62.4 Å²	62.4	37%	0.372	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.2	-175	-58.1	176.2	0	0	0	110.2	F963 H985 R986 K987 L988	L961-F963 HydrophobicContact CB-CD2 4.43Å; L961-F963 HydrophobicContact CB-CE2 3.58Å; L961-F963 HydrophobicContact CB-CZ 4.09Å; L961-F963 WeakPolarHBondContact O-CD2 3.09Å; L961-H985 HydrophobicContact CD1-CB 4.21Å; L961-H985 HydrophobicContact CG-CB 4Å; L961-R986 PolarHBondContact N-O 3.49Å; L961-K987 CarbonylContact O-C 3.59Å; L961-K987 WeakPolarHBondContact O-CA 3.06Å; L961-L988 PolarHBondContact O-N 2.78Å
962	I	87.2	Confident	71.1	Confident	33 Å²	33	60 Å²	60	17%	0.169	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.9	-178.1	-60.9	161.5	0	0	0	110.1	R943 L946 I947 W954 P960 L988 L990	R943-I962 HydrophobicContact CG-CG2 4.26Å; L946-I962 HydrophobicContact CB-CD1 3.64Å; L946-I962 HydrophobicContact CD1-CD1 4.13Å; I947-I962 HydrophobicContact CD1-CD1 4.28Å; I947-I962 HydrophobicContact CG1-CD1 3.74Å; W954-I962 HydrophobicContact CZ3-CD1 4.4Å; P960-I962 PolarHBondContact O-N 3.03Å; I962-L988 HydrophobicContact CG1-CD1 4.2Å; I962-L990 HydrophobicContact CG2-CD1 3.65Å; I962-L990 HydrophobicContact CG2-CG 4.01Å
963	F	85.7	Confident	71	Confident	39 Å²	39	62.4 Å²	62.4	17%	0.171	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148.1	173.9	-59.7	-86.6	0	0	0	110.9	L961 T976 I977 K987 L988 L990	L961-F963 HydrophobicContact CB-CD2 4.43Å; L961-F963 HydrophobicContact CB-CE2 3.58Å; L961-F963 HydrophobicContact CB-CZ 4.09Å; L961-F963 WeakPolarHBondContact O-CD2 3.09Å; F963-T976 VanDerWaalsContact CE1-OG1 3.23Å; F963-T976 WeakPolarHBondContact CE1-OG1 3.32Å; F963-I977 HydrophobicContact CB-CD1 4.01Å; F963-I977 HydrophobicContact CB-CG1 3.92Å; F963-I977 HydrophobicContact CD1-CG1 3.79Å; F963-I977 HydrophobicContact CG-CG1 3.99Å; F963-K987 HydrophobicContact CD2-CD 4.47Å; F963-K987 HydrophobicContact CD2-CG 3.81Å; F963-K987 HydrophobicContact CE2-CB 4.43Å; F963-K987 HydrophobicContact CE2-CD 4.16Å; F963-K987 HydrophobicContact CE2-CG 3.75Å; F963-L988 PolarHBondContact N-O 3.38Å; F963-L990 PolarHBondContact O-N 3.21Å
964	I	84.2	Confident	70.8	Confident	37 Å²	37	60.7 Å²	60.7	19%	0.19	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	152.5	172.6	-65.8	150.8	0	0	0	108.1	Y936 I939 M940 H966 M969 I977 L990	Y936-I964 HydrophobicContact CE2-CG2 4.44Å; I939-I964 HydrophobicContact CG2-CG1 4.39Å; I939-I964 HydrophobicContact CG2-CG2 4.15Å; M940-I964 HydrophobicContact CE-CD1 3.62Å; M940-I964 HydrophobicContact CE-CG1 3.75Å; M940-I964 HydrophobicContact CE-CG2 4.03Å; M940-I964 HydrophobicContact SD-CD1 4.41Å; I964-H966 HydrophobicContact CG2-CB 4.48Å; I964-M969 HydrophobicContact CB-SD 4.22Å; I964-M969 HydrophobicContact CG2-SD 4.24Å; I964-I977 WeakPolarHBondContact O-CD1 3.07Å; I964-L990 CarbonylContact C-O 3.44Å
965	L	81.1	Confident	70.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	114.5	167.6	-174.3	61.3	0	0	0	111	L279 M969 L974 I977 I989 L990 S991 S992 I994 A995 M999 F1001	L279-L965 HydrophobicContact CD2-CD1 3.98Å; L965-M969 HydrophobicContact CD1-CE 3.89Å; L965-L974 HydrophobicContact CD1-CD2 3.77Å; L965-I977 HydrophobicContact CD1-CD1 4.47Å; L965-I989 HydrophobicContact CB-CG2 3.9Å; L965-I989 HydrophobicContact CD2-CG2 3.99Å; L965-L990 PolarHBondContact N-O 3.22Å; L965-S991 VanDerWaalsContact O-CA 3.32Å; L965-S991 WeakPolarHBondContact O-CA 3.47Å; L965-S992 PolarHBondContact O-N 3.08Å; L965-I994 HydrophobicContact CG-CG2 3.89Å; L965-A995 HydrophobicContact CD2-CB 4.06Å; L965-M999 HydrophobicContact CD1-CE 3.74Å; L965-M999 HydrophobicContact CD1-SD 4Å; L965-M999 HydrophobicContact CD2-CE 3.83Å; L965-M999 HydrophobicContact CD2-SD 3.96Å; L965-M999 HydrophobicContact CG-CE 4.41Å; L965-M999 HydrophobicContact CG-SD 4.41Å; L965-F1001 HydrophobicContact CD2-CE2 3.9Å; L965-F1001 HydrophobicContact CD2-CZ 3.7Å
966	H	76.7	Confident	70.8	Confident	22 Å²	22	59.1 Å²	59.1	10%	0.102	32%	0.319	C	S	.	.			trans	-154.7	149.1	-173.1	-170.4	-108	0	0	0	110.4	Y936 I964 R968 M969	Y936-H966 HydrophobicContact CD2-CB 3.99Å; Y936-H966 AromaticContact CD2-CE1 3.99Å; Y936-H966 AromaticContact CD2-CG 3.6Å; Y936-H966 AromaticContact CD2-ND1 3.52Å; Y936-H966 HydrophobicContact CE2-CB 4.45Å; I964-H966 HydrophobicContact CG2-CB 4.48Å; H966-R968 PolarHBondContact ND1-N 2.72Å; H966-R968 PolarHBondContact O-N 2.69Å; H966-M969 WeakPolarHBondContact O-CB 3.49Å; H966-M969 PolarHBondContact O-N 3Å
967	P	66.3	Low	71.3	Confident	57 Å²	57	56.7 Å²	56.7	37%	0.37	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-24	178.6	-25.8	30.8	0	0	0	115.6	Y277 I994	Y277-P967 HydrophobicContact CD1-CB 4.29Å; Y277-P967 HydrophobicContact CD1-CG 4.42Å; Y277-P967 HydrophobicContact CE1-CB 4.49Å; Y277-P967 HydrophobicContact CE1-CG 4.28Å; P967-I994 HydrophobicContact CB-CD1 4.04Å; P967-I994 HydrophobicContact CG-CB 4.22Å; P967-I994 HydrophobicContact CG-CD1 3.78Å
968	R	59.8	Low	71.7	Confident	105 Å²	105	55 Å²	55	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.8	179.6	-59.8	-179	175.7	153	-1.1	114.6	H966 Y1170	H966-R968 PolarHBondContact ND1-N 2.72Å; H966-R968 PolarHBondContact O-N 2.69Å; R968-Y1170 VanDerWaalsContact NH1-CD2 3.33Å
969	M	65.2	Low	71.8	Confident	30 Å²	30	52.8 Å²	52.8	15%	0.148	28%	0.279	C	S	.	.	S	Bend	trans	-79.5	154.3	-180	-169.5	173.5	73.9	0	0	112.8	I964 L965 H966 D973 L974 I977	I964-M969 HydrophobicContact CB-SD 4.22Å; I964-M969 HydrophobicContact CG2-SD 4.24Å; L965-M969 HydrophobicContact CD1-CE 3.89Å; H966-M969 WeakPolarHBondContact O-CB 3.49Å; H966-M969 PolarHBondContact O-N 3Å; M969-D973 HydrophobicContact CE-CB 4.21Å; M969-D973 HydrophobicContact CG-CB 4.17Å; M969-D973 HydrophobicContact SD-CB 4.02Å; M969-L974 HydrophobicContact CE-CD2 3.43Å; M969-L974 VanDerWaalsContact CE-CD2 3.43Å; M969-L974 HydrophobicContact CE-CG 3.96Å; M969-I977 HydrophobicContact CE-CD1 3.74Å; M969-I977 HydrophobicContact SD-CD1 4.49Å
970	L	58.2	Low	71.3	Confident	127 Å²	127	58.8 Å²	58.8	67%	0.665	31%	0.308	S	S	*	.			trans	-76.5	141.2	175.4	-60.7	176.1	0	0	0	111.6	A972 D973	L970-A972 PolarHBondContact O-N 3.25Å; L970-D973 PolarHBondContact O-N 2.63Å; L970-D973 VanDerWaalsContact O-N 3.13Å
971	V	60.9	Low	70.4	Confident	30 Å²	30	60.3 Å²	60.3	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-25.1	-179.7	-177.2	0	0	0	0	112.2	H282 D973 L974	H282-V971 HydrophobicContact CB-CG1 4.47Å; H282-V971 WeakPolarHBondContact CD2-CG1 3.37Å; H282-V971 VanDerWaalsContact NE2-CG1 3.34Å; H282-V971 WeakPolarHBondContact NE2-CG1 3.37Å; V971-D973 VanDerWaalsContact C-N 3.28Å; V971-D973 PolarHBondContact O-N 2.71Å; V971-L974 HydrophobicContact CG1-CD1 4.19Å; V971-L974 WeakPolarHBondContact O-CB 3.32Å; V971-L974 PolarHBondContact O-N 3.22Å
972	A	60.5	Low	69.1	Low	70 Å²	70	59.6 Å²	59.6	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-58.8	-40.5	175.2	0	0	0	0	0	112.2	L970 L974 K975	L970-A972 PolarHBondContact O-N 3.25Å; A972-L974 PolarHBondContact O-N 2.95Å; A972-K975 PolarHBondContact O-N 2.93Å
973	D	64.8	Low	67.9	Low	72 Å²	72	69.5 Å²	69.5	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-68.9	-37	-174.5	-53	-39.6	0	0	0	111.1	M969 L970 V971 K975 T976	M969-D973 HydrophobicContact CE-CB 4.21Å; M969-D973 HydrophobicContact CG-CB 4.17Å; M969-D973 HydrophobicContact SD-CB 4.02Å; L970-D973 PolarHBondContact O-N 2.63Å; L970-D973 VanDerWaalsContact O-N 3.13Å; V971-D973 VanDerWaalsContact C-N 3.28Å; V971-D973 PolarHBondContact O-N 2.71Å; D973-K975 PolarHBondContact O-N 2.76Å; D973-K975 VanDerWaalsContact O-N 3.07Å; D973-T976 WeakPolarHBondContact O-CB 3.36Å; D973-T976 PolarHBondContact O-N 3.05Å; D973-T976 PolarHBondContact O-OG1 3.07Å
974	L	67.5	Low	67.1	Low	4 Å²	4	70.3 Å²	70.3	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-51	-35.4	177.6	-66.4	174.2	0	0	0	113.8	L279 I283 L965 M969 V971 A972 T976 I977 Y978 M999	L279-L974 HydrophobicContact CD1-CD1 3.72Å; L279-L974 HydrophobicContact CD1-CD2 4.24Å; L279-L974 HydrophobicContact CD1-CG 4.29Å; L279-L974 HydrophobicContact CD2-CD2 4.01Å; L279-L974 HydrophobicContact CG-CD1 3.91Å; L279-L974 HydrophobicContact CG-CD2 4.3Å; I283-L974 HydrophobicContact CD1-CD1 3.98Å; I283-L974 HydrophobicContact CD1-CD2 4.45Å; I283-L974 HydrophobicContact CG1-CD1 3.95Å; L965-L974 HydrophobicContact CD1-CD2 3.77Å; M969-L974 HydrophobicContact CE-CD2 3.43Å; M969-L974 VanDerWaalsContact CE-CD2 3.43Å; M969-L974 HydrophobicContact CE-CG 3.96Å; V971-L974 HydrophobicContact CG1-CD1 4.19Å; V971-L974 WeakPolarHBondContact O-CB 3.32Å; V971-L974 PolarHBondContact O-N 3.22Å; A972-L974 PolarHBondContact O-N 2.95Å; L974-T976 PolarHBondContact O-N 3.14Å; L974-I977 WeakPolarHBondContact O-CA 3.34Å; L974-I977 WeakPolarHBondContact O-CB 3.3Å; L974-I977 PolarHBondContact O-N 3.18Å; L974-Y978 PolarHBondContact O-N 3.15Å; L974-M999 HydrophobicContact CD2-CE 4.22Å
975	K	68.3	Low	66.7	Low	125 Å²	125	71.7 Å²	71.7	54%	0.543	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-25.8	-177.7	-66.6	-173.6	176.9	-179.4	0	112.2	A972 D973 A979	A972-K975 PolarHBondContact O-N 2.93Å; D973-K975 PolarHBondContact O-N 2.76Å; D973-K975 VanDerWaalsContact O-N 3.07Å; K975-A979 PolarHBondContact O-N 2.87Å
976	T	69.8	Low	67	Low	74 Å²	74	72.4 Å²	72.4	45%	0.454	37%	0.374	S	S	.	.	H	α-helix	trans	-78.1	-29.2	172.6	70.4	0	0	0	0	112.1	F963 D973 L974	F963-T976 VanDerWaalsContact CE1-OG1 3.23Å; F963-T976 WeakPolarHBondContact CE1-OG1 3.32Å; D973-T976 WeakPolarHBondContact O-CB 3.36Å; D973-T976 PolarHBondContact O-N 3.05Å; D973-T976 PolarHBondContact O-OG1 3.07Å; L974-T976 PolarHBondContact O-N 3.14Å
977	I	73.2	Confident	67.5	Low	2 Å²	2	71.7 Å²	71.7	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-75.8	-38.4	176.7	-46.5	-176.5	0	0	0	111.3	F963 I964 L965 M969 L974 A979 K987 I989 F1001	F963-I977 HydrophobicContact CB-CD1 4.01Å; F963-I977 HydrophobicContact CB-CG1 3.92Å; F963-I977 HydrophobicContact CD1-CG1 3.79Å; F963-I977 HydrophobicContact CG-CG1 3.99Å; I964-I977 WeakPolarHBondContact O-CD1 3.07Å; L965-I977 HydrophobicContact CD1-CD1 4.47Å; M969-I977 HydrophobicContact CE-CD1 3.74Å; M969-I977 HydrophobicContact SD-CD1 4.49Å; L974-I977 WeakPolarHBondContact O-CA 3.34Å; L974-I977 WeakPolarHBondContact O-CB 3.3Å; L974-I977 PolarHBondContact O-N 3.18Å; I977-A979 VanDerWaalsContact C-N 3.32Å; I977-K987 VanDerWaalsContact O-CE 3.28Å; I977-K987 WeakPolarHBondContact O-CE 3.46Å; I977-K987 PolarHBondContact O-NZ 3.23Å; I977-I989 HydrophobicContact CG2-CD1 3.67Å; I977-I989 HydrophobicContact CG2-CG1 4.03Å; I977-F1001 HydrophobicContact CG2-CD1 4.43Å; I977-F1001 HydrophobicContact CG2-CE1 3.69Å; I977-F1001 HydrophobicContact CG2-CZ 4.12Å
978	Y	71.3	Confident	68.7	Low	86 Å²	86	69 Å²	69	34%	0.337	35%	0.353	S	S	.	.	S	Bend	trans	-79.6	-9.5	175.1	-81.1	-69.4	0	0	0	114.2	I283 L974 Q980 M999 F1001	I283-Y978 HydrophobicContact CD1-CE2 4.07Å; I283-Y978 HydrophobicContact CG1-CE2 4.12Å; I283-Y978 HydrophobicContact CG2-CE2 4.13Å; L974-Y978 PolarHBondContact O-N 3.15Å; Y978-Q980 PolarHBondContact O-N 2.67Å; Y978-M999 HydrophobicContact CE2-CE 3.8Å; Y978-M999 VanDerWaalsContact OH-CE 3.22Å; Y978-M999 WeakPolarHBondContact OH-CE 3.43Å; Y978-F1001 HydrophobicContact CD1-CD1 4.32Å; Y978-F1001 HydrophobicContact CD1-CE1 4.36Å; Y978-F1001 AromaticContact CE1-CD1 3.91Å; Y978-F1001 HydrophobicContact CE1-CD1 3.91Å; Y978-F1001 AromaticContact CE1-CE1 3.87Å; Y978-F1001 HydrophobicContact CE1-CE1 3.87Å; Y978-F1001 HydrophobicContact CE2-CE1 4.25Å; Y978-F1001 AromaticContact CZ-CE1 3.81Å
979	A	68.3	Low	70.2	Confident	51 Å²	51	64 Å²	64	42%	0.421	33%	0.334	S	S	.	.	S	Bend	trans	-63.1	134.1	169.2	0	0	0	0	0	110.1	K975 I977 S981 K987	K975-A979 PolarHBondContact O-N 2.87Å; I977-A979 VanDerWaalsContact C-N 3.32Å; A979-S981 PolarHBondContact O-N 3.32Å; A979-K987 PolarHBondContact O-NZ 2.97Å
980	Q	61.9	Low	71.5	Confident	188 Å²	188	62.6 Å²	62.6	88%	0.879	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-61.6	127.9	178.6	-171.2	175	27.1	0	0	109.7	Y978 S982	Y978-Q980 PolarHBondContact O-N 2.67Å; Q980-S982 PolarHBondContact O-N 2.85Å
981	S	62.6	Low	73	Confident	43 Å²	43	56.6 Å²	56.6	30%	0.301	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-50.4	119.6	-175.8	-70.3	0	0	0	0	113	V928 A979 R983 K987 D1003	V928-S981 WeakPolarHBondContact CG2-OG 3.28Å; A979-S981 PolarHBondContact O-N 3.32Å; S981-R983 PolarHBondContact O-N 3.13Å; S981-K987 VanDerWaalsContact OG-CD 3.26Å; S981-K987 WeakPolarHBondContact OG-CD 3.41Å; S981-D1003 PolarHBondContact OG-OD2 3.07Å
982	S	58.2	Low	74.2	Confident	57 Å²	57	55.4 Å²	55.4	40%	0.399	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-60.3	128	170.7	56.4	0	0	0	0	109.8	Q980 S984 H985	Q980-S982 PolarHBondContact O-N 2.85Å; S982-S984 PolarHBondContact O-N 3.41Å; S982-H985 PolarHBondContact O-N 3.09Å
983	R	61.7	Low	75.2	Confident	241 Å²	241	53.6 Å²	53.6	91%	0.909	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.4	-173.5	-72.2	-176.3	173.2	-179.2	-2.8	115.5	R926 S981	R926-R983 PolarHBondContact NH1-O 3.5Å; S981-R983 PolarHBondContact O-N 3.13Å
984	S	68.2	Low	75.8	Confident	55 Å²	55	50.2 Å²	50.2	39%	0.385	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-33.8	-176.8	43.3	0	0	0	0	115.6	R926 S982	R926-S984 VanDerWaalsContact NH1-C 3.26Å; R926-S984 PolarHBondContact NH1-O 2.91Å; S982-S984 PolarHBondContact O-N 3.41Å
985	H	77	Confident	76.4	Confident	66 Å²	66	50 Å²	50	31%	0.306	25%	0.253	S	S	.	.	S	Bend	trans	-126.9	145.5	-173	-57.5	102.6	0	0	0	111.8	L961 S982	L961-H985 HydrophobicContact CD1-CB 4.21Å; L961-H985 HydrophobicContact CG-CB 4Å; S982-H985 PolarHBondContact O-N 3.09Å
986	R	85.7	Confident	76.7	Confident	15 Å²	15	44.4 Å²	44.4	6%	0.057	23%	0.228	C	C	.	.			trans	-70.4	154	164.1	-164.1	178.5	-59.3	-105.3	12.4	109.4	I920 D921 L924 P925 G927 P960 L961	I920-R986 PolarHBondContact O-NH2 3.34Å; D921-R986 PolarHBondContact O-NH2 3.33Å; D921-R986 VanDerWaalsContact OD1-CD 3.29Å; D921-R986 WeakPolarHBondContact OD1-CD 3.25Å; D921-R986 IonicContact OD1-CZ 3.93Å; D921-R986 IonicContact OD1-NE 2.67Å; D921-R986 PolarHBondContact OD1-NE 3.06Å; D921-R986 IonicContact OD1-NH2 3.73Å; L924-R986 PolarHBondContact O-NH2 3.25Å; P925-R986 PolarHBondContact O-NH1 3.44Å; G927-R986 WeakPolarHBondContact O-CG 3.49Å; G927-R986 PolarHBondContact O-NH1 3.15Å; P960-R986 CarbonylContact C-O 3.5Å; P960-R986 VanDerWaalsContact CA-O 3.26Å; P960-R986 WeakPolarHBondContact CA-O 3.37Å; P960-R986 HydrophobicContact CB-CB 4.04Å; P960-R986 VanDerWaalsContact CB-O 3.23Å; P960-R986 WeakPolarHBondContact CB-O 3.42Å; L961-R986 PolarHBondContact N-O 3.49Å
987	K	88.4	Confident	76.7	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.4	-179.8	159.4	-174.8	170.5	-165.9	0	108.7	V928 I929 L961 F963 I977 A979 S981 D1003	V928-K987 WeakPolarHBondContact CA-O 3.34Å; V928-K987 HydrophobicContact CG1-CB 4.46Å; V928-K987 HydrophobicContact CG1-CD 4.27Å; V928-K987 HydrophobicContact CG1-CG 3.91Å; V928-K987 WeakPolarHBondContact CG1-O 3.31Å; V928-K987 HydrophobicContact CG2-CB 4.02Å; V928-K987 HydrophobicContact CG2-CD 3.69Å; V928-K987 HydrophobicContact CG2-CG 3.95Å; I929-K987 PolarHBondContact N-O 3.06Å; I929-K987 VanDerWaalsContact N-O 3.1Å; L961-K987 CarbonylContact O-C 3.59Å; L961-K987 WeakPolarHBondContact O-CA 3.06Å; F963-K987 HydrophobicContact CD2-CD 4.47Å; F963-K987 HydrophobicContact CD2-CG 3.81Å; F963-K987 HydrophobicContact CE2-CB 4.43Å; F963-K987 HydrophobicContact CE2-CD 4.16Å; F963-K987 HydrophobicContact CE2-CG 3.75Å; I977-K987 VanDerWaalsContact O-CE 3.28Å; I977-K987 WeakPolarHBondContact O-CE 3.46Å; I977-K987 PolarHBondContact O-NZ 3.23Å; A979-K987 PolarHBondContact O-NZ 2.97Å; S981-K987 VanDerWaalsContact OG-CD 3.26Å; S981-K987 WeakPolarHBondContact OG-CD 3.41Å; K987-D1003 IonicContact NZ-OD1 3.57Å; K987-D1003 PolarHBondContact NZ-OD1 3.23Å; K987-D1003 IonicContact NZ-OD2 3.39Å; K987-D1003 PolarHBondContact NZ-OD2 2.82Å
988	L	91.2	Very high	76.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.1	174.5	-63.8	89	0	0	0	108.6	I917 I929 I931 L946 P960 L961 I962 F963 L990	I917-L988 HydrophobicContact CD1-CD2 4.44Å; I917-L988 HydrophobicContact CG1-CD2 4.48Å; I917-L988 HydrophobicContact CG2-CD2 3.72Å; I929-L988 HydrophobicContact CB-CG 4.38Å; I929-L988 HydrophobicContact CD1-CD2 4.41Å; I929-L988 HydrophobicContact CD1-CG 4.38Å; I929-L988 CarbonylContact O-C 3.59Å; I929-L988 WeakPolarHBondContact O-CA 3.45Å; I931-L988 HydrophobicContact CD1-CD2 4.22Å; L946-L988 HydrophobicContact CD1-CD2 4.3Å; P960-L988 HydrophobicContact CB-CD1 3.52Å; P960-L988 HydrophobicContact CG-CD1 3.57Å; L961-L988 PolarHBondContact O-N 2.78Å; I962-L988 HydrophobicContact CG1-CD1 4.2Å; F963-L988 PolarHBondContact N-O 3.38Å; L988-L990 HydrophobicContact CB-CD2 4.41Å
989	I	91	Very high	76.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	107.6	172.8	-55.5	175.5	0	0	0	106.9	V928 I929 L930 I931 L965 I977 F1001	V928-I989 HydrophobicContact CG1-CD1 3.88Å; V928-I989 HydrophobicContact CG1-CG1 3.96Å; I929-I989 PolarHBondContact O-N 2.85Å; L930-I989 HydrophobicContact CD1-CB 3.88Å; L930-I989 HydrophobicContact CD1-CG2 3.78Å; I931-I989 PolarHBondContact N-O 3.2Å; L965-I989 HydrophobicContact CB-CG2 3.9Å; L965-I989 HydrophobicContact CD2-CG2 3.99Å; I977-I989 HydrophobicContact CG2-CD1 3.67Å; I977-I989 HydrophobicContact CG2-CG1 4.03Å; I989-F1001 HydrophobicContact CD1-CD1 4.1Å; I989-F1001 HydrophobicContact CD1-CD2 4.01Å; I989-F1001 HydrophobicContact CD1-CE1 4.13Å; I989-F1001 HydrophobicContact CD1-CE2 4.04Å; I989-F1001 HydrophobicContact CD1-CG 4.03Å; I989-F1001 HydrophobicContact CD1-CZ 4.08Å
990	L	92.3	Very high	76.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	104.8	177.6	-51.4	-172.9	0	0	0	108.4	I931 I939 L942 R943 I962 F963 I964 L965 L988	I931-L990 HydrophobicContact CB-CD2 4.08Å; I931-L990 HydrophobicContact CD1-CD2 3.7Å; I931-L990 HydrophobicContact CG1-CD2 4.14Å; I939-L990 HydrophobicContact CG2-CB 3.78Å; L942-L990 HydrophobicContact CD2-CD1 4.21Å; L942-L990 HydrophobicContact CD2-CD2 3.8Å; L942-L990 HydrophobicContact CG-CD1 4.41Å; R943-L990 HydrophobicContact CB-CD1 3.93Å; I962-L990 HydrophobicContact CG2-CD1 3.65Å; I962-L990 HydrophobicContact CG2-CG 4.01Å; F963-L990 PolarHBondContact O-N 3.21Å; I964-L990 CarbonylContact C-O 3.44Å; L965-L990 PolarHBondContact N-O 3.22Å; L988-L990 HydrophobicContact CB-CD2 4.41Å
991	S	90.7	Very high	76.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.5	-166.4	-168.7	0	0	0	0	112.9	I931 F932 L933 L965 A995	I931-S991 PolarHBondContact O-N 3.17Å; I931-S991 VanDerWaalsContact O-O 3.1Å; F932-S991 WeakPolarHBondContact CA-O 3.36Å; L933-S991 PolarHBondContact N-O 3.42Å; L965-S991 VanDerWaalsContact O-CA 3.32Å; L965-S991 WeakPolarHBondContact O-CA 3.47Å; S991-A995 WeakPolarHBondContact OG-CB 3.45Å; S991-A995 PolarHBondContact OG-N 3.16Å
992	S	86	Confident	77.1	Confident	5 Å²	5	30 Å²	30	4%	0.035	15%	0.152	C	C	.	.			trans	-83.3	-169.2	155.2	72.3	0	0	0	0	111.1	L933 L965 I994 A995	L933-S992 WeakPolarHBondContact O-CA 3.2Å; L965-S992 PolarHBondContact O-N 3.08Å; S992-I994 PolarHBondContact O-N 3.33Å; S992-A995 PolarHBondContact O-N 3.17Å
993	S	81.5	Confident	78.2	Confident	32 Å²	32	29 Å²	29	22%	0.224	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-53	-9.3	170.7	39.3	0	0	0	0	115.3	A995 E996 N1013	S993-A995 PolarHBondContact O-N 3.31Å; S993-A995 VanDerWaalsContact O-N 3.17Å; S993-E996 WeakPolarHBondContact O-CA 3.33Å; S993-E996 WeakPolarHBondContact O-CB 3.26Å; S993-E996 PolarHBondContact O-N 3.03Å; S993-N1013 VanDerWaalsContact CB-OD1 3.29Å; S993-N1013 WeakPolarHBondContact CB-OD1 3.31Å; S993-N1013 PolarHBondContact OG-OD1 3.36Å
994	I	77.3	Confident	79.3	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.01	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-65.5	-12	173.4	-167.8	157.6	0	0	0	115	L279 Y280 L965 P967 S992 M999	L279-I994 HydrophobicContact CB-CD1 4.01Å; L279-I994 HydrophobicContact CD2-CD1 3.45Å; L279-I994 VanDerWaalsContact CD2-CD1 3.45Å; L279-I994 HydrophobicContact CD2-CG1 4.02Å; L279-I994 HydrophobicContact CG-CD1 4.31Å; Y280-I994 HydrophobicContact CE1-CD1 4.36Å; Y280-I994 HydrophobicContact CE1-CG1 3.67Å; Y280-I994 PolarHBondContact OH-O 3.09Å; L965-I994 HydrophobicContact CG-CG2 3.89Å; P967-I994 HydrophobicContact CB-CD1 4.04Å; P967-I994 HydrophobicContact CG-CB 4.22Å; P967-I994 HydrophobicContact CG-CD1 3.78Å; S992-I994 PolarHBondContact O-N 3.33Å; I994-M999 HydrophobicContact CG1-SD 4.46Å
995	A	80	Confident	80.3	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-93.8	0	167.1	0	0	0	0	0	113.4	L930 F932 L965 S991 S992 S993 R1043	L930-A995 HydrophobicContact CD1-CB 3.94Å; L930-A995 HydrophobicContact CD2-CB 4.14Å; F932-A995 HydrophobicContact CE1-CB 3.71Å; F932-A995 HydrophobicContact CZ-CB 3.85Å; L965-A995 HydrophobicContact CD2-CB 4.06Å; S991-A995 WeakPolarHBondContact OG-CB 3.45Å; S991-A995 PolarHBondContact OG-N 3.16Å; S992-A995 PolarHBondContact O-N 3.17Å; S993-A995 PolarHBondContact O-N 3.31Å; S993-A995 VanDerWaalsContact O-N 3.17Å; A995-R1043 WeakPolarHBondContact O-CD 3.3Å; A995-R1043 VanDerWaalsContact O-CG 3.29Å; A995-R1043 WeakPolarHBondContact O-CG 3.41Å; A995-R1043 PolarHBondContact O-NE 3.49Å; A995-R1043 VanDerWaalsContact O-NE 3.17Å
996	E	74.7	Confident	81.1	Confident	6 Å²	6	12.7 Å²	12.7	3%	0.028	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-31	-175.8	-163.7	178.2	125.4	0	0	112.2	F932 S993 N1036 Q1039 R1040 R1043	F932-E996 HydrophobicContact CE1-CB 4.04Å; S993-E996 WeakPolarHBondContact O-CA 3.33Å; S993-E996 WeakPolarHBondContact O-CB 3.26Å; S993-E996 PolarHBondContact O-N 3.03Å; E996-N1036 WeakPolarHBondContact OE1-CA 3.24Å; E996-N1036 WeakPolarHBondContact OE1-CB 3.34Å; E996-N1036 VanDerWaalsContact OE1-CG 3.3Å; E996-N1036 PolarHBondContact OE1-ND2 3.35Å; E996-Q1039 HydrophobicContact CG-CB 3.83Å; E996-R1040 HydrophobicContact CG-CG 3.8Å; E996-R1040 IonicContact OE2-CZ 3.67Å; E996-R1040 IonicContact OE2-NE 3.25Å; E996-R1040 PolarHBondContact OE2-NE 2.68Å; E996-R1040 IonicContact OE2-NH2 3.14Å; E996-R1040 PolarHBondContact OE2-NH2 3.09Å; E996-R1043 VanDerWaalsContact C-NH2 3.33Å; E996-R1043 PolarHBondContact O-NE 2.78Å; E996-R1043 PolarHBondContact O-NH2 3.33Å
997	S	68.7	Low	81.5	Confident	10 Å²	10	12 Å²	12	7%	0.07	7%	0.069	C	C	.	.	S	Bend	trans	-102.6	176.3	172.8	21.5	0	0	0	0	111.8	Y280 E345 M999 R1043	Y280-S997 WeakPolarHBondContact OH-CB 3.13Å; Y280-S997 PolarHBondContact OH-OG 3.48Å; E345-S997 WeakPolarHBondContact OE2-CB 3.47Å; S997-M999 VanDerWaalsContact C-N 3.31Å; S997-M999 PolarHBondContact O-N 2.93Å; S997-R1043 VanDerWaalsContact O-CZ 3.23Å; S997-R1043 PolarHBondContact O-NH1 2.86Å; S997-R1043 PolarHBondContact O-NH2 3.09Å
998	S	65.1	Low	81.9	Confident	12 Å²	12	11.6 Å²	11.6	8%	0.084	7%	0.067	C	C	.	.	S	Bend	trans	26.3	-55.3	173.5	-113.2	0	0	0	0	122.1	Y280 N284 E345 T1000	Y280-S998 VanDerWaalsContact CD2-CB 3.47Å; N284-S998 PolarHBondContact ND2-OG 2.98Å; E345-S998 WeakPolarHBondContact OE1-CA 3.45Å; E345-S998 WeakPolarHBondContact OE1-CB 3.3Å; E345-S998 PolarHBondContact OE1-N 2.94Å; E345-S998 PolarHBondContact OE1-OG 3.03Å; E345-S998 PolarHBondContact OE2-N 3.38Å; S998-T1000 PolarHBondContact O-N 3.31Å
999	M	69.6	Low	82.1	Confident	2 Å²	2	11.6 Å²	11.6	1%	0.01	7%	0.067	C	C	.	.			trans	-63.3	124.2	-176.4	-65.5	-174.2	71	0	0	113.1	L279 Y280 I283 L965 L974 Y978 I994 S997 F1001 R1043	L279-M999 HydrophobicContact CD2-CE 4.41Å; L279-M999 HydrophobicContact CD2-SD 3.71Å; Y280-M999 HydrophobicContact CD1-CG 4.05Å; Y280-M999 HydrophobicContact CE1-CG 3.82Å; Y280-M999 HydrophobicContact CE1-SD 4.2Å; I283-M999 HydrophobicContact CD1-CE 3.64Å; I283-M999 HydrophobicContact CD1-CG 3.92Å; I283-M999 HydrophobicContact CD1-SD 3.79Å; L965-M999 HydrophobicContact CD1-CE 3.74Å; L965-M999 HydrophobicContact CD1-SD 4Å; L965-M999 HydrophobicContact CD2-CE 3.83Å; L965-M999 HydrophobicContact CD2-SD 3.96Å; L965-M999 HydrophobicContact CG-CE 4.41Å; L965-M999 HydrophobicContact CG-SD 4.41Å; L974-M999 HydrophobicContact CD2-CE 4.22Å; Y978-M999 HydrophobicContact CE2-CE 3.8Å; Y978-M999 VanDerWaalsContact OH-CE 3.22Å; Y978-M999 WeakPolarHBondContact OH-CE 3.43Å; I994-M999 HydrophobicContact CG1-SD 4.46Å; S997-M999 VanDerWaalsContact C-N 3.31Å; S997-M999 PolarHBondContact O-N 2.93Å; M999-F1001 HydrophobicContact CE-CE1 3.98Å; M999-F1001 HydrophobicContact CE-CE2 4.3Å; M999-F1001 HydrophobicContact CE-CZ 3.42Å; M999-F1001 VanDerWaalsContact CE-CZ 3.42Å; M999-R1043 PolarHBondContact O-NH1 3.49Å
1000	T	66.7	Low	82.2	Confident	21 Å²	21	11.9 Å²	11.9	13%	0.129	7%	0.069	C	C	.	.			trans	-117.6	132.3	171.2	64.6	0	0	0	0	110.4	R287 S998	R287-T1000 VanDerWaalsContact CZ-OG1 3.25Å; R287-T1000 PolarHBondContact NH1-OG1 3.05Å; R287-T1000 PolarHBondContact NH2-OG1 3.02Å; S998-T1000 PolarHBondContact O-N 3.31Å
1001	F	74.8	Confident	82	Confident	7 Å²	7	11.9 Å²	11.9	3%	0.031	7%	0.069	C	C	.	.			trans	-113.6	111.8	174.6	-59.5	-70.6	0	0	0	109.2	L965 I977 Y978 I989 M999 D1003 V1004	L965-F1001 HydrophobicContact CD2-CE2 3.9Å; L965-F1001 HydrophobicContact CD2-CZ 3.7Å; I977-F1001 HydrophobicContact CG2-CD1 4.43Å; I977-F1001 HydrophobicContact CG2-CE1 3.69Å; I977-F1001 HydrophobicContact CG2-CZ 4.12Å; Y978-F1001 HydrophobicContact CD1-CD1 4.32Å; Y978-F1001 HydrophobicContact CD1-CE1 4.36Å; Y978-F1001 AromaticContact CE1-CD1 3.91Å; Y978-F1001 HydrophobicContact CE1-CD1 3.91Å; Y978-F1001 AromaticContact CE1-CE1 3.87Å; Y978-F1001 HydrophobicContact CE1-CE1 3.87Å; Y978-F1001 HydrophobicContact CE2-CE1 4.25Å; Y978-F1001 AromaticContact CZ-CE1 3.81Å; I989-F1001 HydrophobicContact CD1-CD1 4.1Å; I989-F1001 HydrophobicContact CD1-CD2 4.01Å; I989-F1001 HydrophobicContact CD1-CE1 4.13Å; I989-F1001 HydrophobicContact CD1-CE2 4.04Å; I989-F1001 HydrophobicContact CD1-CG 4.03Å; I989-F1001 HydrophobicContact CD1-CZ 4.08Å; M999-F1001 HydrophobicContact CE-CE1 3.98Å; M999-F1001 HydrophobicContact CE-CE2 4.3Å; M999-F1001 HydrophobicContact CE-CZ 3.42Å; M999-F1001 VanDerWaalsContact CE-CZ 3.42Å; F1001-D1003 PolarHBondContact O-N 3.31Å; F1001-V1004 HydrophobicContact CB-CB 4.29Å; F1001-V1004 HydrophobicContact CB-CG2 3.54Å; F1001-V1004 HydrophobicContact CD2-CG2 4.26Å; F1001-V1004 HydrophobicContact CG-CG2 4.24Å; F1001-V1004 PolarHBondContact O-N 3.32Å
1002	D	70.7	Confident	81.9	Confident	90 Å²	90	12 Å²	12	48%	0.481	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.1	-173.6	-59.7	-51	0	0	0	113.2
1003	D	80.3	Confident	81.6	Confident	35 Å²	35	13.5 Å²	13.5	19%	0.187	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2.3	177.8	63.7	-12.8	0	0	0	115.4	V928 S981 K987 F1001	V928-D1003 VanDerWaalsContact CB-O 3.27Å; V928-D1003 WeakPolarHBondContact CB-O 3.41Å; V928-D1003 HydrophobicContact CG2-CB 3.94Å; V928-D1003 VanDerWaalsContact CG2-CG 3.41Å; V928-D1003 WeakPolarHBondContact CG2-O 3.37Å; V928-D1003 WeakPolarHBondContact CG2-OD2 3.46Å; V928-D1003 PolarHBondContact N-O 3.18Å; S981-D1003 PolarHBondContact OG-OD2 3.07Å; K987-D1003 IonicContact NZ-OD1 3.57Å; K987-D1003 PolarHBondContact NZ-OD1 3.23Å; K987-D1003 IonicContact NZ-OD2 3.39Å; K987-D1003 PolarHBondContact NZ-OD2 2.82Å; F1001-D1003 PolarHBondContact O-N 3.31Å
1004	V	86.5	Confident	81.2	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.2	174.7	169	0	0	0	0	111.7	V928 L930 F1001 I1007 G1045	V928-V1004 HydrophobicContact CB-CG2 4.07Å; V928-V1004 HydrophobicContact CG1-CG2 3.85Å; L930-V1004 HydrophobicContact CB-CG1 3.88Å; L930-V1004 HydrophobicContact CB-CG2 4.06Å; F1001-V1004 HydrophobicContact CB-CB 4.29Å; F1001-V1004 HydrophobicContact CB-CG2 3.54Å; F1001-V1004 HydrophobicContact CD2-CG2 4.26Å; F1001-V1004 HydrophobicContact CG-CG2 4.24Å; F1001-V1004 PolarHBondContact O-N 3.32Å; V1004-I1007 HydrophobicContact CG1-CG1 4.04Å; V1004-G1045 PolarHBondContact O-N 3.11Å
1005	V	89.1	Confident	80.5	Confident	13 Å²	13	15.8 Å²	15.8	8%	0.079	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-33.9	179.6	-174.7	0	0	0	0	111.2	V928 I1048 G1050 I1051	V928-V1005 PolarHBondContact O-N 3.31Å; V1005-I1048 HydrophobicContact CG1-CG2 3.94Å; V1005-I1048 HydrophobicContact CG2-CD1 3.74Å; V1005-I1048 HydrophobicContact CG2-CG2 3.97Å; V1005-G1050 CarbonylContact O-C 3.54Å; V1005-G1050 WeakPolarHBondContact O-CA 3.29Å; V1005-I1051 PolarHBondContact O-N 3.37Å
1006	Y	93.3	Very high	79.3	Confident	8 Å²	8	20.2 Å²	20.2	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.4	-177.1	-50.3	-72.7	0	0	0	109.7	I920 L924 P925 V928 I929 L930 I1051 F1053	I920-Y1006 HydrophobicContact CG2-CD1 4.12Å; I920-Y1006 HydrophobicContact CG2-CD2 3.9Å; I920-Y1006 HydrophobicContact CG2-CE2 4.41Å; I920-Y1006 HydrophobicContact CG2-CG 3.74Å; L924-Y1006 HydrophobicContact CB-CE1 3.87Å; L924-Y1006 HydrophobicContact CD1-CD1 4.02Å; L924-Y1006 HydrophobicContact CD1-CE1 3.68Å; L924-Y1006 HydrophobicContact CG-CE1 4.4Å; P925-Y1006 WeakPolarHBondContact CD-OH 3.46Å; P925-Y1006 VanDerWaalsContact O-CE2 3.24Å; P925-Y1006 WeakPolarHBondContact O-CE2 3.41Å; P925-Y1006 PolarHBondContact O-OH 3Å; V928-Y1006 PolarHBondContact O-N 2.9Å; V928-Y1006 VanDerWaalsContact O-N 3.1Å; I929-Y1006 CarbonylContact C-O 3.59Å; I929-Y1006 WeakPolarHBondContact CA-O 3.47Å; I929-Y1006 HydrophobicContact CG1-CD2 4.27Å; L930-Y1006 PolarHBondContact N-O 2.84Å; Y1006-I1051 WeakPolarHBondContact CA-O 3.29Å; Y1006-I1051 HydrophobicContact CD1-CB 4.25Å; Y1006-I1051 HydrophobicContact CE1-CD1 4.25Å; Y1006-F1053 HydrophobicContact CD1-CE2 4.38Å
1007	I	93.6	Very high	78.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.9	173.5	-57.4	-173.1	0	0	0	107.9	L930 F932 V1004 R1040 R1043 V1044 I1051 C1052 F1053	L930-I1007 CarbonylContact O-C 3.52Å; L930-I1007 VanDerWaalsContact O-CA 3.31Å; L930-I1007 WeakPolarHBondContact O-CA 3.5Å; F932-I1007 HydrophobicContact CD2-CG2 3.92Å; F932-I1007 HydrophobicContact CE2-CG2 3.91Å; V1004-I1007 HydrophobicContact CG1-CG1 4.04Å; I1007-R1040 WeakPolarHBondContact CD1-O 3.25Å; I1007-R1043 HydrophobicContact CD1-CB 3.92Å; I1007-V1044 HydrophobicContact CD1-CG2 3.78Å; I1007-V1044 HydrophobicContact CG1-CG2 4.14Å; I1007-I1051 PolarHBondContact N-O 3.15Å; I1007-C1052 HydrophobicContact CB-CB 4.39Å; I1007-C1052 CarbonylContact O-C 3.6Å; I1007-C1052 WeakPolarHBondContact O-CA 3.41Å; I1007-F1053 PolarHBondContact O-N 3.02Å
1008	I	96.4	Very high	77.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	166.9	-49.7	176.9	0	0	0	107.2	L913 L916 I917 I920 I929 L930 I931 F932 F1053 L1055	L913-I1008 HydrophobicContact CD1-CB 4.46Å; L913-I1008 HydrophobicContact CD1-CD1 4Å; L913-I1008 HydrophobicContact CD1-CG2 3.7Å; L916-I1008 HydrophobicContact CD2-CD1 4Å; L916-I1008 HydrophobicContact CD2-CG1 4.17Å; L916-I1008 HydrophobicContact CD2-CG2 3.74Å; L916-I1008 HydrophobicContact CG-CD1 4.08Å; I917-I1008 HydrophobicContact CG1-CD1 3.84Å; I920-I1008 HydrophobicContact CD1-CD1 3.72Å; I920-I1008 HydrophobicContact CD1-CG1 3.95Å; I929-I1008 HydrophobicContact CG2-CD1 3.91Å; I929-I1008 HydrophobicContact CG2-CG1 4.04Å; L930-I1008 PolarHBondContact O-N 3.12Å; I931-I1008 WeakPolarHBondContact CA-O 3.47Å; I931-I1008 HydrophobicContact CD1-CD1 3.9Å; I931-I1008 HydrophobicContact CG1-CB 4.27Å; I931-I1008 HydrophobicContact CG1-CD1 4.07Å; I931-I1008 HydrophobicContact CG1-CG1 4.35Å; I931-I1008 HydrophobicContact CG2-CB 4.28Å; F932-I1008 PolarHBondContact N-O 3.33Å; I1008-F1053 WeakPolarHBondContact CA-O 3.47Å; I1008-L1055 HydrophobicContact CG2-CD1 3.89Å; I1008-L1055 HydrophobicContact CG2-CG 4.14Å
1009	D	94.8	Very high	76.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.9	-179.4	177.8	22.4	0	0	0	110	G1011 R1040 F1053 L1055 Y1056	D1009-G1011 PolarHBondContact O-N 3.46Å; D1009-G1011 PolarHBondContact OD1-N 3.26Å; D1009-R1040 VanDerWaalsContact CG-CD 3.48Å; D1009-R1040 WeakPolarHBondContact OD1-CD 3.08Å; D1009-R1040 IonicContact OD1-CZ 3.26Å; D1009-R1040 IonicContact OD1-NE 3.58Å; D1009-R1040 IonicContact OD1-NH1 3.13Å; D1009-R1040 PolarHBondContact OD1-NH1 2.68Å; D1009-F1053 PolarHBondContact N-O 3.46Å; D1009-L1055 PolarHBondContact O-N 3.12Å; D1009-Y1056 HydrophobicContact CB-CE1 4.4Å; D1009-Y1056 WeakPolarHBondContact OD2-CE1 3.26Å; D1009-Y1056 PolarHBondContact OD2-OH 3.07Å
1010	C	93.1	Very high	74.6	Confident	7 Å²	7	28.3 Å²	28.3	5%	0.047	14%	0.144	C	C	.	.			trans	-74.1	-8.8	176.1	-60.6	0	0	0	0	113.4	F932 L1012	F932-C1010 WeakPolarHBondContact O-CB 3.46Å; F932-C1010 PolarHBondContact O-N 2.77Å; F932-C1010 PolarHBondContact O-SG 3Å; C1010-L1012 PolarHBondContact O-N 3.5Å
1011	G	88.8	Confident	73.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	76.4	5.2	-179.6	0	0	0	0	0	114.8	D1009 W1031 I1032 Y1056	D1009-G1011 PolarHBondContact O-N 3.46Å; D1009-G1011 PolarHBondContact OD1-N 3.26Å; G1011-W1031 VanDerWaalsContact O-CE3 3.27Å; G1011-I1032 WeakPolarHBondContact O-CG1 3.47Å; G1011-I1032 PolarHBondContact O-N 2.97Å; G1011-Y1056 VanDerWaalsContact CA-CD1 3.47Å
1012	L	88.6	Confident	71.6	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.5	-173.1	-60.3	168.2	0	0	0	112.3	T906 V908 P934 C1010 Q1030 W1031 I1032 R1040	T906-L1012 HydrophobicContact CG2-CD2 4.16Å; T906-L1012 VanDerWaalsContact O-CD1 3.31Å; T906-L1012 WeakPolarHBondContact O-CD1 3.32Å; V908-L1012 HydrophobicContact CG2-CD1 4.42Å; P934-L1012 HydrophobicContact CB-CB 3.83Å; P934-L1012 HydrophobicContact CG-CB 3.89Å; P934-L1012 HydrophobicContact CG-CD1 4.35Å; C1010-L1012 PolarHBondContact O-N 3.5Å; L1012-Q1030 CarbonylContact C-O 3.21Å; L1012-Q1030 WeakPolarHBondContact CA-O 3.31Å; L1012-W1031 HydrophobicContact CD2-CD2 3.9Å; L1012-W1031 HydrophobicContact CD2-CE3 4.07Å; L1012-W1031 HydrophobicContact CD2-CG 4.3Å; L1012-W1031 HydrophobicContact CD2-CH2 4.47Å; L1012-W1031 HydrophobicContact CD2-CZ2 4.32Å; L1012-W1031 HydrophobicContact CD2-CZ3 4.35Å; L1012-I1032 VanDerWaalsContact C-CG2 3.45Å; L1012-R1040 PolarHBondContact O-NH1 3.32Å; L1012-R1040 PolarHBondContact O-NH2 3.3Å
1013	N	79.6	Confident	70.4	Confident	36 Å²	36	31 Å²	31	19%	0.193	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.6	166.2	-175.1	58	0	0	0	109.2	S993 N1029 Q1030 I1032	S993-N1013 VanDerWaalsContact CB-OD1 3.29Å; S993-N1013 WeakPolarHBondContact CB-OD1 3.31Å; S993-N1013 PolarHBondContact OG-OD1 3.36Å; N1013-N1029 WeakPolarHBondContact O-CA 3.42Å; N1013-Q1030 PolarHBondContact N-O 3.38Å; N1013-Q1030 PolarHBondContact O-N 2.93Å; N1013-I1032 HydrophobicContact CB-CG2 3.89Å
1014	Y	73.6	Confident	68.4	Low	69 Å²	69	30.7 Å²	30.7	27%	0.271	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.7	171.2	-162.7	-114.4	0	0	0	108.8	P934 L1027 N1029	P934-Y1014 VanDerWaalsContact O-CB 3.27Å; P934-Y1014 WeakPolarHBondContact O-CB 3.4Å; P934-Y1014 PolarHBondContact O-N 3.43Å; Y1014-L1027 HydrophobicContact CD1-CD2 4.14Å; Y1014-L1027 HydrophobicContact CE1-CB 4.08Å; Y1014-L1027 HydrophobicContact CE1-CD1 4.22Å; Y1014-L1027 HydrophobicContact CE1-CD2 3.71Å; Y1014-L1027 HydrophobicContact CE1-CG 4.24Å; Y1014-N1029 WeakPolarHBondContact CD2-OD1 3.5Å
1015	G	62	Low	66.3	Low	12 Å²	12	33.1 Å²	33.1	12%	0.124	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	-172.7	0	0	0	0	0	113.6	L1027 R1028	G1015-L1027 WeakPolarHBondContact O-CA 3.43Å; G1015-R1028 PolarHBondContact N-O 3.11Å; G1015-R1028 PolarHBondContact O-N 2.88Å; G1015-R1028 VanDerWaalsContact O-N 3.15Å
1016	E	54.4	Low	64.2	Low	93 Å²	93	34.2 Å²	34.2	44%	0.435	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	169	-71.9	-179.9	-150.8	0	0	109.9	S1026 L1027	E1016-S1026 CarbonylContact C-O 3.54Å; E1016-S1026 WeakPolarHBondContact CA-O 3.17Å; E1016-L1027 HydrophobicContact CB-CD2 4.43Å; E1016-L1027 HydrophobicContact CG-CD2 3.32Å; E1016-L1027 HydrophobicContact CG-CG 4.15Å
1017	E	51	Low	62.2	Low	57 Å²	57	37 Å²	37	27%	0.266	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.6	171.3	-178.4	-174.4	-108.2	0	0	109.1	L1019 T1025 S1026 R1028	E1017-L1019 HydrophobicContact CG-CD2 4.18Å; E1017-L1019 WeakPolarHBondContact OE2-CD2 3.31Å; E1017-T1025 CarbonylContact O-C 3.57Å; E1017-T1025 WeakPolarHBondContact O-CA 3.35Å; E1017-S1026 PolarHBondContact N-O 3.09Å; E1017-S1026 PolarHBondContact O-N 3.39Å; E1017-R1028 VanDerWaalsContact CD-NH2 3.33Å; E1017-R1028 IonicContact OE1-CZ 3.27Å; E1017-R1028 IonicContact OE1-NH1 2.64Å; E1017-R1028 IonicContact OE1-NH2 2.8Å; E1017-R1028 PolarHBondContact OE1-NH2 2.8Å; E1017-R1028 IonicContact OE2-CZ 3.92Å; E1017-R1028 IonicContact OE2-NH1 3.91Å; E1017-R1028 PolarHBondContact OE2-NH1 3.11Å; E1017-R1028 IonicContact OE2-NH2 2.82Å; E1017-R1028 PolarHBondContact OE2-NH2 3.05Å
1018	F	47.5	Very low	60.6	Low	36 Å²	36	38.8 Å²	38.8	16%	0.158	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.1	171.4	-173.2	-107.8	0	0	0	110.7	D1020 Q1023 T1024 T1025 G1074	F1018-D1020 WeakPolarHBondContact CE1-OD1 3.3Å; F1018-Q1023 VanDerWaalsContact CE2-C 3.45Å; F1018-Q1023 HydrophobicContact CE2-CB 4.47Å; F1018-Q1023 HydrophobicContact CZ-CB 4.1Å; F1018-T1024 WeakPolarHBondContact CA-O 3.39Å; F1018-T1025 HydrophobicContact CB-CG2 4.27Å; F1018-T1025 HydrophobicContact CD2-CG2 4.1Å; F1018-G1074 WeakPolarHBondContact CB-O 3.4Å
1019	L	44.1	Very low	59.4	Low	18 Å²	18	39.8 Å²	39.8	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	102.1	176.1	-56.9	179.6	0	0	0	108.6	E1017 W1021 T1022 Q1023 T1024	E1017-L1019 HydrophobicContact CG-CD2 4.18Å; E1017-L1019 WeakPolarHBondContact OE2-CD2 3.31Å; L1019-W1021 HydrophobicContact CB-CZ2 3.96Å; L1019-W1021 HydrophobicContact CD2-CH2 4.14Å; L1019-W1021 HydrophobicContact CD2-CZ2 3.81Å; L1019-W1021 HydrophobicContact CG-CZ2 4.3Å; L1019-W1021 PolarHBondContact O-N 2.89Å; L1019-T1022 WeakPolarHBondContact CB-OG1 3.44Å; L1019-T1022 PolarHBondContact O-N 3.27Å; L1019-T1022 PolarHBondContact O-OG1 2.81Å; L1019-T1022 VanDerWaalsContact O-OG1 3.06Å; L1019-Q1023 PolarHBondContact O-N 3.19Å; L1019-T1024 PolarHBondContact N-O 3.04Å
1020	D	38.8	Very low	58.4	Low	90 Å²	90	42.1 Å²	42.1	48%	0.481	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-36.1	-171.6	-96	-32.5	0	0	0	113.7	F1018 Q1023	F1018-D1020 WeakPolarHBondContact CE1-OD1 3.3Å; D1020-Q1023 PolarHBondContact O-NE2 3.2Å
1021	W	38.8	Very low	57.8	Low	75 Å²	75	43.9 Å²	43.9	28%	0.284	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.7	-178	55.3	81.1	0	0	0	115.2	L1019 E1906	L1019-W1021 HydrophobicContact CB-CZ2 3.96Å; L1019-W1021 HydrophobicContact CD2-CH2 4.14Å; L1019-W1021 HydrophobicContact CD2-CZ2 3.81Å; L1019-W1021 HydrophobicContact CG-CZ2 4.3Å; L1019-W1021 PolarHBondContact O-N 2.89Å; W1021-E1906 HydrophobicContact CD2-CB 4.36Å; W1021-E1906 HydrophobicContact CE3-CB 4.39Å; W1021-E1906 VanDerWaalsContact CH2-C 3.41Å; W1021-E1906 HydrophobicContact CH2-CB 3.52Å; W1021-E1906 WeakPolarHBondContact CH2-O 3.36Å; W1021-E1906 VanDerWaalsContact CZ2-C 3.47Å; W1021-E1906 HydrophobicContact CZ2-CB 3.45Å; W1021-E1906 VanDerWaalsContact CZ2-CB 3.45Å; W1021-E1906 VanDerWaalsContact CZ2-N 3.3Å; W1021-E1906 VanDerWaalsContact CZ2-O 3.28Å; W1021-E1906 WeakPolarHBondContact CZ2-O 3.44Å; W1021-E1906 HydrophobicContact CZ3-CB 3.99Å
1022	T	37.7	Very low	57.5	Low	18 Å²	18	44.1 Å²	44.1	11%	0.11	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-24.3	168.8	60.1	0	0	0	0	112.5	L1019 T1024 V1339	L1019-T1022 WeakPolarHBondContact CB-OG1 3.44Å; L1019-T1022 PolarHBondContact O-N 3.27Å; L1019-T1022 PolarHBondContact O-OG1 2.81Å; L1019-T1022 VanDerWaalsContact O-OG1 3.06Å; T1022-T1024 VanDerWaalsContact C-N 3.35Å; T1022-T1024 WeakPolarHBondContact CB-OG1 3.2Å; T1022-T1024 PolarHBondContact OG1-N 2.92Å; T1022-T1024 PolarHBondContact OG1-OG1 3.24Å; T1022-V1339 WeakPolarHBondContact CB-O 3.43Å; T1022-V1339 WeakPolarHBondContact CG2-O 3.29Å
1023	Q	46.7	Very low	56.8	Low	81 Å²	81	44 Å²	44	38%	0.379	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	41.1	-167.6	-55.3	-83.4	-81.4	0	0	112	F1018 L1019 D1020 N1112	F1018-Q1023 VanDerWaalsContact CE2-C 3.45Å; F1018-Q1023 HydrophobicContact CE2-CB 4.47Å; F1018-Q1023 HydrophobicContact CZ-CB 4.1Å; L1019-Q1023 PolarHBondContact O-N 3.19Å; D1020-Q1023 PolarHBondContact O-NE2 3.2Å; Q1023-N1112 PolarHBondContact OE1-ND2 3.32Å
1024	T	38.7	Very low	56.7	Low	29 Å²	29	44.5 Å²	44.5	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143	178.9	62.6	0	0	0	0	111.5	F1018 L1019 T1022 E1338	F1018-T1024 WeakPolarHBondContact CA-O 3.39Å; L1019-T1024 PolarHBondContact N-O 3.04Å; T1022-T1024 VanDerWaalsContact C-N 3.35Å; T1022-T1024 WeakPolarHBondContact CB-OG1 3.2Å; T1022-T1024 PolarHBondContact OG1-N 2.92Å; T1022-T1024 PolarHBondContact OG1-OG1 3.24Å; T1024-E1338 HydrophobicContact CG2-CB 4.36Å
1025	T	42.5	Very low	56.3	Low	51 Å²	51	41.2 Å²	41.2	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	140.8	164.4	45.4	0	0	0	0	111.3	E1017 F1018 V1076	E1017-T1025 CarbonylContact O-C 3.57Å; E1017-T1025 WeakPolarHBondContact O-CA 3.35Å; F1018-T1025 HydrophobicContact CB-CG2 4.27Å; F1018-T1025 HydrophobicContact CD2-CG2 4.1Å; T1025-V1076 HydrophobicContact CG2-CG2 4.3Å
1026	S	43.4	Very low	57.1	Low	36 Å²	36	40.8 Å²	40.8	25%	0.252	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140	173.3	-175.8	0	0	0	0	108.8	E1016 E1017	E1016-S1026 CarbonylContact C-O 3.54Å; E1016-S1026 WeakPolarHBondContact CA-O 3.17Å; E1017-S1026 PolarHBondContact N-O 3.09Å; E1017-S1026 PolarHBondContact O-N 3.39Å
1027	L	53.2	Low	58.5	Low	67 Å²	67	36.4 Å²	36.4	35%	0.351	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.3	178.2	-78.5	167	0	0	0	109.9	Y1014 G1015 E1016	Y1014-L1027 HydrophobicContact CD1-CD2 4.14Å; Y1014-L1027 HydrophobicContact CE1-CB 4.08Å; Y1014-L1027 HydrophobicContact CE1-CD1 4.22Å; Y1014-L1027 HydrophobicContact CE1-CD2 3.71Å; Y1014-L1027 HydrophobicContact CE1-CG 4.24Å; G1015-L1027 WeakPolarHBondContact O-CA 3.43Å; E1016-L1027 HydrophobicContact CB-CD2 4.43Å; E1016-L1027 HydrophobicContact CG-CD2 3.32Å; E1016-L1027 HydrophobicContact CG-CG 4.15Å
1028	R	59.8	Low	59.7	Low	36 Å²	36	34.9 Å²	34.9	14%	0.136	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.2	174.2	75.2	169.1	179.3	-95.1	-17	114.1	E833 E835 G1015 E1017 Q1030	E833-R1028 VanDerWaalsContact CD-NH1 3.35Å; E833-R1028 IonicContact OE1-CZ 3.62Å; E833-R1028 IonicContact OE1-NE 2.69Å; E833-R1028 IonicContact OE1-NH1 3.33Å; E833-R1028 PolarHBondContact OE1-NH1 3.46Å; E833-R1028 WeakPolarHBondContact OE2-CD 3.05Å; E833-R1028 IonicContact OE2-CZ 3.76Å; E833-R1028 IonicContact OE2-NE 3.41Å; E833-R1028 PolarHBondContact OE2-NE 3.12Å; E833-R1028 IonicContact OE2-NH1 3.44Å; E835-R1028 IonicContact OE1-CZ 3.57Å; E835-R1028 IonicContact OE1-NE 3.49Å; E835-R1028 PolarHBondContact OE1-NE 2.94Å; E835-R1028 IonicContact OE1-NH2 2.79Å; E835-R1028 PolarHBondContact OE1-NH2 2.94Å; G1015-R1028 PolarHBondContact N-O 3.11Å; G1015-R1028 PolarHBondContact O-N 2.88Å; G1015-R1028 VanDerWaalsContact O-N 3.15Å; E1017-R1028 VanDerWaalsContact CD-NH2 3.33Å; E1017-R1028 IonicContact OE1-CZ 3.27Å; E1017-R1028 IonicContact OE1-NH1 2.64Å; E1017-R1028 IonicContact OE1-NH2 2.8Å; E1017-R1028 PolarHBondContact OE1-NH2 2.8Å; E1017-R1028 IonicContact OE2-CZ 3.92Å; E1017-R1028 IonicContact OE2-NH1 3.91Å; E1017-R1028 PolarHBondContact OE2-NH1 3.11Å; E1017-R1028 IonicContact OE2-NH2 2.82Å; E1017-R1028 PolarHBondContact OE2-NH2 3.05Å; R1028-Q1030 HydrophobicContact CG-CG 3.91Å; R1028-Q1030 PolarHBondContact O-N 3.04Å
1029	N	71.3	Confident	61	Low	21 Å²	21	33.4 Å²	33.4	11%	0.112	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	120.3	163.5	-73.8	-7.7	0	0	0	108.2	T906 P934 E938 N1013 Y1014	T906-N1029 WeakPolarHBondContact O-CB 3.2Å; T906-N1029 PolarHBondContact O-ND2 3.21Å; P934-N1029 WeakPolarHBondContact CB-OD1 3.41Å; P934-N1029 HydrophobicContact CG-CB 4.49Å; P934-N1029 WeakPolarHBondContact CG-OD1 3.5Å; E938-N1029 PolarHBondContact OE1-ND2 3.08Å; E938-N1029 VanDerWaalsContact OE1-ND2 3.09Å; N1013-N1029 WeakPolarHBondContact O-CA 3.42Å; Y1014-N1029 WeakPolarHBondContact CD2-OD1 3.5Å
1030	Q	72.2	Confident	62.9	Low	50 Å²	50	32.6 Å²	32.6	23%	0.234	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.3	178.2	-66.4	175.8	-12.8	0	0	110.5	L1012 N1013 R1028	L1012-Q1030 CarbonylContact C-O 3.21Å; L1012-Q1030 WeakPolarHBondContact CA-O 3.31Å; N1013-Q1030 PolarHBondContact N-O 3.38Å; N1013-Q1030 PolarHBondContact O-N 2.93Å; R1028-Q1030 HydrophobicContact CG-CG 3.91Å; R1028-Q1030 PolarHBondContact O-N 3.04Å
1031	W	81.9	Confident	65.1	Low	44 Å²	44	30.8 Å²	30.8	17%	0.167	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.6	171.6	-73.3	97	0	0	0	112.5	E905 G1011 L1012 Y1056 R1060 L1064	E905-W1031 HydrophobicContact CB-CZ2 3.95Å; G1011-W1031 VanDerWaalsContact O-CE3 3.27Å; L1012-W1031 HydrophobicContact CD2-CD2 3.9Å; L1012-W1031 HydrophobicContact CD2-CE3 4.07Å; L1012-W1031 HydrophobicContact CD2-CG 4.3Å; L1012-W1031 HydrophobicContact CD2-CH2 4.47Å; L1012-W1031 HydrophobicContact CD2-CZ2 4.32Å; L1012-W1031 HydrophobicContact CD2-CZ3 4.35Å; W1031-Y1056 HydrophobicContact CZ3-CD1 4.35Å; W1031-Y1056 HydrophobicContact CZ3-CG 4.11Å; W1031-R1060 HydrophobicContact CD2-CG 4.48Å; W1031-R1060 VanDerWaalsContact CE2-NH1 3.31Å; W1031-R1060 HydrophobicContact CE3-CG 3.97Å; W1031-R1060 HydrophobicContact CH2-CG 4.09Å; W1031-R1060 HydrophobicContact CZ3-CG 3.77Å; W1031-L1064 HydrophobicContact CB-CD2 4.03Å; W1031-L1064 HydrophobicContact CD2-CD2 4.43Å; W1031-L1064 HydrophobicContact CE3-CD2 4.08Å; W1031-L1064 HydrophobicContact CG-CD2 4.44Å
1032	I	81.9	Confident	66.8	Low	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-80	160.2	178.6	71.8	-176	0	0	0	112.6	G1011 L1012 N1013 N1036 A1037 L1064	G1011-I1032 WeakPolarHBondContact O-CG1 3.47Å; G1011-I1032 PolarHBondContact O-N 2.97Å; L1012-I1032 VanDerWaalsContact C-CG2 3.45Å; N1013-I1032 HydrophobicContact CB-CG2 3.89Å; I1032-N1036 HydrophobicContact CB-CB 3.78Å; I1032-N1036 HydrophobicContact CD1-CB 4.2Å; I1032-N1036 HydrophobicContact CG1-CB 4.2Å; I1032-N1036 HydrophobicContact CG2-CB 4.5Å; I1032-A1037 HydrophobicContact CD1-CB 3.83Å; I1032-A1037 HydrophobicContact CG1-CB 4.3Å; I1032-L1064 HydrophobicContact CG1-CD1 4.38Å; I1032-L1064 WeakPolarHBondContact O-CD1 3.17Å; I1032-L1064 WeakPolarHBondContact O-CD2 3.47Å
1033	S	74.5	Confident	68.7	Low	1 Å²	1	29 Å²	29	1%	0.007	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-73.5	159.7	169.9	68.2	0	0	0	0	112.2	S1035 N1036 A1037 P1065	S1033-S1035 PolarHBondContact O-N 3.15Å; S1033-S1035 WeakPolarHBondContact OG-CB 3.35Å; S1033-N1036 WeakPolarHBondContact CB-OD1 3.29Å; S1033-N1036 PolarHBondContact N-OD1 3.23Å; S1033-N1036 VanDerWaalsContact N-OD1 3.09Å; S1033-N1036 WeakPolarHBondContact O-CB 3.48Å; S1033-N1036 PolarHBondContact O-N 3.47Å; S1033-N1036 VanDerWaalsContact O-N 3.08Å; S1033-N1036 PolarHBondContact OG-N 2.72Å; S1033-N1036 PolarHBondContact OG-OD1 3.2Å; S1033-A1037 PolarHBondContact O-N 3.38Å; S1033-P1065 CarbonylContact C-O 3.26Å; S1033-P1065 WeakPolarHBondContact CA-O 3.4Å; S1033-P1065 VanDerWaalsContact CB-O 3.24Å; S1033-P1065 WeakPolarHBondContact CB-O 3.33Å
1034	K	76.5	Confident	70.2	Confident	45 Å²	45	25.3 Å²	25.3	20%	0.196	13%	0.131	C	C	.	.	H	α-helix	trans	-52.2	-41.6	168.7	-69.3	171.2	176.5	152	0	110.8	A1037 I1038 Y1061 S1062 L1064 P1065 E1066	K1034-A1037 CarbonylContact O-C 3.6Å; K1034-A1037 WeakPolarHBondContact O-CB 3.38Å; K1034-A1037 PolarHBondContact O-N 2.95Å; K1034-I1038 WeakPolarHBondContact O-CG1 3.47Å; K1034-I1038 PolarHBondContact O-N 2.97Å; K1034-Y1061 HydrophobicContact CB-CE2 4.31Å; K1034-Y1061 WeakPolarHBondContact CE-O 3.31Å; K1034-Y1061 HydrophobicContact CG-CE2 4.14Å; K1034-S1062 WeakPolarHBondContact CE-O 3.33Å; K1034-S1062 PolarHBondContact NZ-O 2.9Å; K1034-L1064 WeakPolarHBondContact CD-O 3.27Å; K1034-L1064 WeakPolarHBondContact CE-O 3.45Å; K1034-L1064 HydrophobicContact CG-CB 3.87Å; K1034-L1064 PolarHBondContact NZ-O 3.47Å; K1034-P1065 PolarHBondContact N-O 2.89Å; K1034-E1066 HydrophobicContact CD-CG 4.37Å
1035	S	65.9	Low	71.6	Confident	1 Å²	1	24 Å²	24	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-54.8	-49.5	173.7	-79.4	0	0	0	0	113.4	R416 S1033 A1037 I1038 Q1039 E1066	R416-S1035 VanDerWaalsContact CB-CB 3.41Å; R416-S1035 WeakPolarHBondContact CB-OG 3Å; S1033-S1035 PolarHBondContact O-N 3.15Å; S1033-S1035 WeakPolarHBondContact OG-CB 3.35Å; S1035-A1037 PolarHBondContact O-N 3.1Å; S1035-I1038 PolarHBondContact O-N 3.14Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.37Å; S1035-Q1039 PolarHBondContact O-N 3Å; S1035-E1066 WeakPolarHBondContact CB-O 3.34Å; S1035-E1066 PolarHBondContact N-O 3.39Å; S1035-E1066 PolarHBondContact OG-O 2.99Å
1036	N	78.9	Confident	72.4	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-44.3	174.3	-62	121.8	0	0	0	111	R416 E996 I1032 S1033 I1038 Q1039 R1040 R1068	R416-N1036 PolarHBondContact NH2-ND2 3.47Å; E996-N1036 WeakPolarHBondContact OE1-CA 3.24Å; E996-N1036 WeakPolarHBondContact OE1-CB 3.34Å; E996-N1036 VanDerWaalsContact OE1-CG 3.3Å; E996-N1036 PolarHBondContact OE1-ND2 3.35Å; I1032-N1036 HydrophobicContact CB-CB 3.78Å; I1032-N1036 HydrophobicContact CD1-CB 4.2Å; I1032-N1036 HydrophobicContact CG1-CB 4.2Å; I1032-N1036 HydrophobicContact CG2-CB 4.5Å; S1033-N1036 WeakPolarHBondContact CB-OD1 3.29Å; S1033-N1036 PolarHBondContact N-OD1 3.23Å; S1033-N1036 VanDerWaalsContact N-OD1 3.09Å; S1033-N1036 WeakPolarHBondContact O-CB 3.48Å; S1033-N1036 PolarHBondContact O-N 3.47Å; S1033-N1036 VanDerWaalsContact O-N 3.08Å; S1033-N1036 PolarHBondContact OG-N 2.72Å; S1033-N1036 PolarHBondContact OG-OD1 3.2Å; N1036-I1038 PolarHBondContact O-N 3.1Å; N1036-Q1039 PolarHBondContact O-N 2.75Å; N1036-Q1039 VanDerWaalsContact O-N 3.1Å; N1036-R1040 WeakPolarHBondContact O-CG 3.42Å; N1036-R1040 PolarHBondContact O-N 3.04Å; N1036-R1068 PolarHBondContact OD1-NE 3.44Å
1037	A	82.6	Confident	73	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-24.7	178.8	0	0	0	0	0	113.8	I1032 S1033 K1034 S1035 K1041 R1054 Y1056 Y1061	I1032-A1037 HydrophobicContact CD1-CB 3.83Å; I1032-A1037 HydrophobicContact CG1-CB 4.3Å; S1033-A1037 PolarHBondContact O-N 3.38Å; K1034-A1037 CarbonylContact O-C 3.6Å; K1034-A1037 WeakPolarHBondContact O-CB 3.38Å; K1034-A1037 PolarHBondContact O-N 2.95Å; S1035-A1037 PolarHBondContact O-N 3.1Å; A1037-K1041 WeakPolarHBondContact O-CB 3.22Å; A1037-K1041 PolarHBondContact O-N 3.33Å; A1037-R1054 PolarHBondContact O-NH2 3.07Å; A1037-Y1056 WeakPolarHBondContact CB-OH 3.36Å; A1037-Y1061 HydrophobicContact CB-CD2 4.49Å; A1037-Y1061 HydrophobicContact CB-CE2 4.06Å
1038	I	77.6	Confident	73.5	Confident	26 Å²	26	28.4 Å²	28.4	13%	0.133	14%	0.139	C	C	.	.	H	α-helix	trans	-78	-43.7	170.1	-69.1	164.3	0	0	0	110.6	K1034 S1035 N1036 R1040 K1041 S1042	K1034-I1038 WeakPolarHBondContact O-CG1 3.47Å; K1034-I1038 PolarHBondContact O-N 2.97Å; S1035-I1038 PolarHBondContact O-N 3.14Å; N1036-I1038 PolarHBondContact O-N 3.1Å; I1038-R1040 VanDerWaalsContact C-N 3.35Å; I1038-R1040 PolarHBondContact O-N 3.06Å; I1038-K1041 WeakPolarHBondContact O-CB 3.47Å; I1038-K1041 PolarHBondContact O-N 3.21Å; I1038-S1042 PolarHBondContact O-N 3.26Å
1039	Q	74.3	Confident	74.1	Confident	5 Å²	5	33.7 Å²	33.7	2%	0.023	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-41.8	174.9	-70.9	-167.2	-28.7	0	0	111.9	P246 N414 E996 S1035 N1036 S1042	P246-Q1039 HydrophobicContact CG-CB 4.46Å; P246-Q1039 HydrophobicContact CG-CG 4.04Å; N414-Q1039 PolarHBondContact O-NE2 3.06Å; E996-Q1039 HydrophobicContact CG-CB 3.83Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.37Å; S1035-Q1039 PolarHBondContact O-N 3Å; N1036-Q1039 PolarHBondContact O-N 2.75Å; N1036-Q1039 VanDerWaalsContact O-N 3.1Å; Q1039-S1042 WeakPolarHBondContact O-CB 3.09Å; Q1039-S1042 PolarHBondContact O-N 3.41Å; Q1039-S1042 PolarHBondContact O-OG 3.47Å
1040	R	84.6	Confident	74.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-52	172.8	-68.2	-179.8	-175.4	-166.3	-3.4	111.5	F932 E996 I1007 D1009 L1012 N1036 I1038 S1042 R1043	F932-R1040 HydrophobicContact CD1-CG 4.08Å; F932-R1040 HydrophobicContact CD2-CB 4.06Å; F932-R1040 HydrophobicContact CD2-CG 3.94Å; F932-R1040 HydrophobicContact CE1-CG 4.01Å; F932-R1040 HydrophobicContact CE2-CB 3.82Å; F932-R1040 HydrophobicContact CE2-CG 3.87Å; F932-R1040 HydrophobicContact CG-CG 4.05Å; F932-R1040 HydrophobicContact CZ-CB 4.22Å; F932-R1040 HydrophobicContact CZ-CG 3.91Å; E996-R1040 HydrophobicContact CG-CG 3.8Å; E996-R1040 IonicContact OE2-CZ 3.67Å; E996-R1040 IonicContact OE2-NE 3.25Å; E996-R1040 PolarHBondContact OE2-NE 2.68Å; E996-R1040 IonicContact OE2-NH2 3.14Å; E996-R1040 PolarHBondContact OE2-NH2 3.09Å; I1007-R1040 WeakPolarHBondContact CD1-O 3.25Å; D1009-R1040 VanDerWaalsContact CG-CD 3.48Å; D1009-R1040 WeakPolarHBondContact OD1-CD 3.08Å; D1009-R1040 IonicContact OD1-CZ 3.26Å; D1009-R1040 IonicContact OD1-NE 3.58Å; D1009-R1040 IonicContact OD1-NH1 3.13Å; D1009-R1040 PolarHBondContact OD1-NH1 2.68Å; L1012-R1040 PolarHBondContact O-NH1 3.32Å; L1012-R1040 PolarHBondContact O-NH2 3.3Å; N1036-R1040 WeakPolarHBondContact O-CG 3.42Å; N1036-R1040 PolarHBondContact O-N 3.04Å; I1038-R1040 VanDerWaalsContact C-N 3.35Å; I1038-R1040 PolarHBondContact O-N 3.06Å; R1040-S1042 PolarHBondContact O-N 3.28Å; R1040-S1042 VanDerWaalsContact O-N 3.13Å; R1040-R1043 WeakPolarHBondContact O-CB 3.19Å; R1040-R1043 PolarHBondContact O-N 2.89Å; R1040-R1043 VanDerWaalsContact O-N 3.15Å
1041	K	83.9	Confident	75.5	Confident	53 Å²	53	31.6 Å²	31.6	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-52.9	-33	175.6	-175.7	-177.8	68.4	179.7	0	113.1	V549 V551 A1037 I1038 R1043 C1052	V549-K1041 HydrophobicContact CB-CG 4.05Å; V549-K1041 HydrophobicContact CG1-CG 3.88Å; V551-K1041 HydrophobicContact CG2-CD 3.61Å; V551-K1041 HydrophobicContact CG2-CG 4.37Å; A1037-K1041 WeakPolarHBondContact O-CB 3.22Å; A1037-K1041 PolarHBondContact O-N 3.33Å; I1038-K1041 WeakPolarHBondContact O-CB 3.47Å; I1038-K1041 PolarHBondContact O-N 3.21Å; K1041-R1043 PolarHBondContact O-N 2.81Å; K1041-C1052 HydrophobicContact CG-CB 4.3Å
1042	S	74.1	Confident	76	Confident	43 Å²	43	29.5 Å²	29.5	30%	0.301	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.7	-177.5	83.5	0	0	0	0	114.9	I1038 Q1039 R1040 V1044	I1038-S1042 PolarHBondContact O-N 3.26Å; Q1039-S1042 WeakPolarHBondContact O-CB 3.09Å; Q1039-S1042 PolarHBondContact O-N 3.41Å; Q1039-S1042 PolarHBondContact O-OG 3.47Å; R1040-S1042 PolarHBondContact O-N 3.28Å; R1040-S1042 VanDerWaalsContact O-N 3.13Å; S1042-V1044 PolarHBondContact O-N 3.42Å; S1042-V1044 VanDerWaalsContact O-N 3.16Å
1043	R	78.9	Confident	76.6	Confident	11 Å²	11	29.5 Å²	29.5	4%	0.042	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3.4	-168.7	-61.4	-71.5	163.7	-174.2	-6.8	115.3	L930 F932 A995 E996 S997 M999 I1007 R1040 K1041	L930-R1043 HydrophobicContact CD2-CB 3.92Å; F932-R1043 HydrophobicContact CZ-CG 4.34Å; A995-R1043 WeakPolarHBondContact O-CD 3.3Å; A995-R1043 VanDerWaalsContact O-CG 3.29Å; A995-R1043 WeakPolarHBondContact O-CG 3.41Å; A995-R1043 PolarHBondContact O-NE 3.49Å; A995-R1043 VanDerWaalsContact O-NE 3.17Å; E996-R1043 VanDerWaalsContact C-NH2 3.33Å; E996-R1043 PolarHBondContact O-NE 2.78Å; E996-R1043 PolarHBondContact O-NH2 3.33Å; S997-R1043 VanDerWaalsContact O-CZ 3.23Å; S997-R1043 PolarHBondContact O-NH1 2.86Å; S997-R1043 PolarHBondContact O-NH2 3.09Å; M999-R1043 PolarHBondContact O-NH1 3.49Å; I1007-R1043 HydrophobicContact CD1-CB 3.92Å; R1040-R1043 WeakPolarHBondContact O-CB 3.19Å; R1040-R1043 PolarHBondContact O-N 2.89Å; R1040-R1043 VanDerWaalsContact O-N 3.15Å; K1041-R1043 PolarHBondContact O-N 2.81Å
1044	V	78.1	Confident	77.5	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.024	15%	0.153	C	C	.	.	S	Bend	trans	-60.1	140.6	168.7	173.6	0	0	0	0	109.5	K547 V549 I1007 S1042 I1048	K547-V1044 PolarHBondContact NZ-O 2.62Å; V549-V1044 HydrophobicContact CG1-CG2 3.93Å; V549-V1044 HydrophobicContact CG2-CB 4.06Å; V549-V1044 HydrophobicContact CG2-CG1 4.48Å; V549-V1044 HydrophobicContact CG2-CG2 3.82Å; I1007-V1044 HydrophobicContact CD1-CG2 3.78Å; I1007-V1044 HydrophobicContact CG1-CG2 4.14Å; S1042-V1044 PolarHBondContact O-N 3.42Å; S1042-V1044 VanDerWaalsContact O-N 3.16Å; V1044-I1048 WeakPolarHBondContact CG1-O 3.24Å
1045	G	67.9	Low	78.3	Confident	2 Å²	2	28.5 Å²	28.5	2%	0.021	15%	0.149	C	C	.	.			trans	-53.3	157.5	179	0	0	0	0	0	113.6	K547 V1004 N1047	K547-G1045 VanDerWaalsContact NZ-C 3.35Å; K547-G1045 PolarHBondContact NZ-O 2.86Å; V1004-G1045 PolarHBondContact O-N 3.11Å; G1045-N1047 PolarHBondContact O-N 2.88Å
1046	K	59.2	Low	79.4	Confident	58 Å²	58	28.6 Å²	28.6	25%	0.252	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-46.1	-171	-75.2	-178.4	171.1	178	0	113.8	E220	E220-K1046 WeakPolarHBondContact OE1-CD 3.42Å; E220-K1046 IonicContact OE1-NZ 3.37Å; E220-K1046 PolarHBondContact OE1-NZ 3.02Å
1047	N	55.6	Low	79.5	Confident	116 Å²	116	28.6 Å²	28.6	62%	0.62	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	28.7	-165.5	-60	-12	0	0	0	113.4	T217 G1045	T217-N1047 PolarHBondContact OG1-OD1 3.45Å; G1045-N1047 PolarHBondContact O-N 2.88Å
1048	I	64.4	Low	79.3	Confident	72 Å²	72	31.3 Å²	31.3	37%	0.369	17%	0.168	S	C	.	.	S	Bend	trans	-138.5	134.4	-174.3	-47.7	175.9	0	0	0	110.9	V1005 V1044 G1050	V1005-I1048 HydrophobicContact CG1-CG2 3.94Å; V1005-I1048 HydrophobicContact CG2-CD1 3.74Å; V1005-I1048 HydrophobicContact CG2-CG2 3.97Å; V1044-I1048 WeakPolarHBondContact CG1-O 3.24Å; I1048-G1050 PolarHBondContact O-N 3.27Å; I1048-G1050 VanDerWaalsContact O-N 3.12Å
1049	N	71.7	Confident	78.9	Confident	147 Å²	147	33.6 Å²	33.6	79%	0.786	18%	0.18	S	C	*	.			trans	-72.1	98.8	168.3	-70.1	-11.9	0	0	0	109.4
1050	G	81.5	Confident	79	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.021	18%	0.18	C	C	.	.			trans	-92.7	173.4	-179.3	0	0	0	0	0	114.8	R550 V1005 I1048	R550-G1050 PolarHBondContact N-O 3.44Å; R550-G1050 VanDerWaalsContact N-O 3.16Å; V1005-G1050 CarbonylContact O-C 3.54Å; V1005-G1050 WeakPolarHBondContact O-CA 3.29Å; I1048-G1050 PolarHBondContact O-N 3.27Å; I1048-G1050 VanDerWaalsContact O-N 3.12Å
1051	I	90.9	Very high	78.8	Confident	26 Å²	26	35.2 Å²	35.2	13%	0.133	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.2	-179.6	-54.4	178.6	0	0	0	109.6	R550 Y552 L924 V1005 Y1006 I1007 F1053	R550-I1051 HydrophobicContact CB-CG1 4.45Å; R550-I1051 CarbonylContact O-C 3.59Å; R550-I1051 WeakPolarHBondContact O-CA 3.31Å; Y552-I1051 HydrophobicContact CD2-CG2 3.46Å; Y552-I1051 VanDerWaalsContact CD2-CG2 3.46Å; Y552-I1051 HydrophobicContact CE2-CD1 4.5Å; Y552-I1051 HydrophobicContact CE2-CG2 3.55Å; L924-I1051 HydrophobicContact CD1-CD1 4.21Å; V1005-I1051 PolarHBondContact O-N 3.37Å; Y1006-I1051 WeakPolarHBondContact CA-O 3.29Å; Y1006-I1051 HydrophobicContact CD1-CB 4.25Å; Y1006-I1051 HydrophobicContact CE1-CD1 4.25Å; I1007-I1051 PolarHBondContact N-O 3.15Å; I1051-F1053 HydrophobicContact CB-CE2 4.11Å; I1051-F1053 HydrophobicContact CB-CZ 4.37Å; I1051-F1053 HydrophobicContact CG2-CD1 4.45Å; I1051-F1053 HydrophobicContact CG2-CD2 4.08Å; I1051-F1053 HydrophobicContact CG2-CE1 3.99Å; I1051-F1053 HydrophobicContact CG2-CE2 3.57Å; I1051-F1053 HydrophobicContact CG2-CG 4.5Å; I1051-F1053 HydrophobicContact CG2-CZ 3.52Å
1052	C	92.3	Very high	78.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.3	173.8	-172	0	0	0	0	110	V549 R550 V551 Y552 I1007 K1041	V549-C1052 HydrophobicContact CG1-CB 3.99Å; R550-C1052 PolarHBondContact O-N 3.08Å; V551-C1052 WeakPolarHBondContact CA-O 3.44Å; V551-C1052 HydrophobicContact CG2-CB 4.42Å; Y552-C1052 PolarHBondContact N-O 3.46Å; I1007-C1052 HydrophobicContact CB-CB 4.39Å; I1007-C1052 CarbonylContact O-C 3.6Å; I1007-C1052 WeakPolarHBondContact O-CA 3.41Å; K1041-C1052 HydrophobicContact CG-CB 4.3Å
1053	F	95.5	Very high	77.8	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.9	176.8	-62.7	-81.2	0	0	0	109.1	Y552 I557 W560 L916 I920 L924 Y1006 I1007 I1008 D1009 I1051	Y552-F1053 HydrophobicContact CD2-CD1 4.06Å; Y552-F1053 AromaticContact CD2-CE1 3.71Å; Y552-F1053 HydrophobicContact CD2-CE1 3.71Å; Y552-F1053 HydrophobicContact CD2-CZ 4.39Å; Y552-F1053 HydrophobicContact CE2-CE1 4.42Å; Y552-F1053 HydrophobicContact CG-CD1 4.39Å; Y552-F1053 HydrophobicContact CG-CE1 4.29Å; I557-F1053 HydrophobicContact CD1-CB 3.8Å; I557-F1053 HydrophobicContact CD1-CD1 4.28Å; I557-F1053 HydrophobicContact CG1-CB 4.4Å; I557-F1053 HydrophobicContact CG1-CD1 3.96Å; W560-F1053 AromaticContact CE3-CE1 3.97Å; W560-F1053 HydrophobicContact CE3-CE1 3.97Å; W560-F1053 HydrophobicContact CE3-CZ 4.46Å; W560-F1053 HydrophobicContact CH2-CE1 4.38Å; W560-F1053 HydrophobicContact CH2-CZ 4.07Å; W560-F1053 AromaticContact CZ3-CE1 3.64Å; W560-F1053 HydrophobicContact CZ3-CE1 3.64Å; W560-F1053 AromaticContact CZ3-CZ 3.7Å; W560-F1053 HydrophobicContact CZ3-CZ 3.7Å; L916-F1053 HydrophobicContact CD1-CD1 4.05Å; L916-F1053 HydrophobicContact CD1-CE1 4.35Å; L916-F1053 HydrophobicContact CD1-CG 4.17Å; L916-F1053 HydrophobicContact CD2-CB 3.88Å; L916-F1053 HydrophobicContact CD2-CG 4.33Å; I920-F1053 HydrophobicContact CD1-CD2 3.63Å; I920-F1053 HydrophobicContact CD1-CE2 3.54Å; I920-F1053 HydrophobicContact CD1-CG 4.45Å; I920-F1053 HydrophobicContact CD1-CZ 4.3Å; I920-F1053 HydrophobicContact CG1-CD2 4.29Å; I920-F1053 HydrophobicContact CG1-CE2 3.7Å; I920-F1053 HydrophobicContact CG1-CZ 4.05Å; L924-F1053 HydrophobicContact CD1-CE2 4.3Å; L924-F1053 HydrophobicContact CD1-CZ 3.9Å; Y1006-F1053 HydrophobicContact CD1-CE2 4.38Å; I1007-F1053 PolarHBondContact O-N 3.02Å; I1008-F1053 WeakPolarHBondContact CA-O 3.47Å; D1009-F1053 PolarHBondContact N-O 3.46Å; I1051-F1053 HydrophobicContact CB-CE2 4.11Å; I1051-F1053 HydrophobicContact CB-CZ 4.37Å; I1051-F1053 HydrophobicContact CG2-CD1 4.45Å; I1051-F1053 HydrophobicContact CG2-CD2 4.08Å; I1051-F1053 HydrophobicContact CG2-CE1 3.99Å; I1051-F1053 HydrophobicContact CG2-CE2 3.57Å; I1051-F1053 HydrophobicContact CG2-CG 4.5Å; I1051-F1053 HydrophobicContact CG2-CZ 3.52Å
1054	R	94	Very high	77.4	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.3	179.7	-70.4	176.8	162.5	-179.8	-11.1	109.4	V551 Y552 Y553 L554 I557 A1037 Y1056 Y1061	V551-R1054 HydrophobicContact CG1-CG 4.24Å; Y552-R1054 PolarHBondContact O-N 3.23Å; Y553-R1054 CarbonylContact C-O 3.19Å; Y553-R1054 HydrophobicContact CD1-CB 4.13Å; Y553-R1054 PolarHBondContact OH-NH1 3.29Å; L554-R1054 PolarHBondContact N-O 2.76Å; L554-R1054 VanDerWaalsContact N-O 3.11Å; I557-R1054 VanDerWaalsContact CD1-O 3.27Å; I557-R1054 WeakPolarHBondContact CD1-O 3.48Å; A1037-R1054 PolarHBondContact O-NH2 3.07Å; R1054-Y1056 HydrophobicContact CB-CD1 3.99Å; R1054-Y1056 HydrophobicContact CB-CD2 4.29Å; R1054-Y1056 HydrophobicContact CB-CE1 3.67Å; R1054-Y1056 HydrophobicContact CB-CE2 4.01Å; R1054-Y1056 HydrophobicContact CB-CG 4.3Å; R1054-Y1056 WeakPolarHBondContact CD-OH 3.2Å; R1054-Y1056 HydrophobicContact CG-CE1 3.87Å; R1054-Y1056 HydrophobicContact CG-CE2 4.09Å; R1054-Y1056 WeakPolarHBondContact CG-OH 3.4Å; R1054-Y1056 PolarHBondContact NE-OH 2.9Å; R1054-Y1056 VanDerWaalsContact NE-OH 3.11Å; R1054-Y1056 PolarHBondContact O-N 2.8Å; R1054-Y1061 VanDerWaalsContact NH2-CE2 3.29Å
1055	L	92.2	Very high	76.6	Confident	22 Å²	22	41.7 Å²	41.7	12%	0.115	22%	0.223	C	C	.	.	S	Bend	trans	-79.3	33.2	178.4	-66.9	174.7	0	0	0	113	I557 L912 L913 L916 I1008 D1009	I557-L1055 HydrophobicContact CD1-CD2 4.07Å; I557-L1055 HydrophobicContact CG2-CD2 4.15Å; L912-L1055 HydrophobicContact CD2-CD2 3.95Å; L912-L1055 HydrophobicContact CG-CD2 4.07Å; L913-L1055 HydrophobicContact CB-CD1 4.16Å; L913-L1055 HydrophobicContact CD1-CD1 3.94Å; L916-L1055 HydrophobicContact CD2-CD2 3.88Å; L916-L1055 HydrophobicContact CD2-CG 4.44Å; I1008-L1055 HydrophobicContact CG2-CD1 3.89Å; I1008-L1055 HydrophobicContact CG2-CG 4.14Å; D1009-L1055 PolarHBondContact O-N 3.12Å
1056	Y	88.3	Confident	76.2	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.016	25%	0.249	C	C	.	.	S	Bend	trans	-141.9	154	177.1	50.2	-85.8	0	0	0	108.9	L554 D1009 G1011 W1031 A1037 R1054 R1060 Y1061 L1064	L554-Y1056 VanDerWaalsContact CB-C 3.48Å; L554-Y1056 PolarHBondContact N-O 3.07Å; L554-Y1056 VanDerWaalsContact N-O 3.09Å; D1009-Y1056 HydrophobicContact CB-CE1 4.4Å; D1009-Y1056 WeakPolarHBondContact OD2-CE1 3.26Å; D1009-Y1056 PolarHBondContact OD2-OH 3.07Å; G1011-Y1056 VanDerWaalsContact CA-CD1 3.47Å; W1031-Y1056 HydrophobicContact CZ3-CD1 4.35Å; W1031-Y1056 HydrophobicContact CZ3-CG 4.11Å; A1037-Y1056 WeakPolarHBondContact CB-OH 3.36Å; R1054-Y1056 HydrophobicContact CB-CD1 3.99Å; R1054-Y1056 HydrophobicContact CB-CD2 4.29Å; R1054-Y1056 HydrophobicContact CB-CE1 3.67Å; R1054-Y1056 HydrophobicContact CB-CE2 4.01Å; R1054-Y1056 HydrophobicContact CB-CG 4.3Å; R1054-Y1056 WeakPolarHBondContact CD-OH 3.2Å; R1054-Y1056 HydrophobicContact CG-CE1 3.87Å; R1054-Y1056 HydrophobicContact CG-CE2 4.09Å; R1054-Y1056 WeakPolarHBondContact CG-OH 3.4Å; R1054-Y1056 PolarHBondContact NE-OH 2.9Å; R1054-Y1056 VanDerWaalsContact NE-OH 3.11Å; R1054-Y1056 PolarHBondContact O-N 2.8Å; Y1056-R1060 HydrophobicContact CD2-CB 4.34Å; Y1056-R1060 HydrophobicContact CD2-CG 4.23Å; Y1056-R1060 HydrophobicContact CG-CG 4.46Å; Y1056-Y1061 HydrophobicContact CE2-CD2 4.13Å; Y1056-L1064 HydrophobicContact CE2-CD1 4.18Å
1057	S	81.2	Confident	76.1	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	25%	0.247	C	C	.	.			trans	-68.3	159.4	-174.3	57	0	0	0	0	112.4	E555 E838 L1059 R1060 Y1061	E555-S1057 VanDerWaalsContact OE2-CA 3.24Å; E555-S1057 WeakPolarHBondContact OE2-CA 3.26Å; E838-S1057 PolarHBondContact OE1-OG 2.98Å; E838-S1057 PolarHBondContact OE2-OG 2.8Å; S1057-L1059 PolarHBondContact O-N 3.08Å; S1057-R1060 PolarHBondContact O-N 3.29Å; S1057-R1060 WeakPolarHBondContact OG-CB 3.38Å; S1057-R1060 PolarHBondContact OG-N 2.92Å; S1057-Y1061 PolarHBondContact O-N 3.37Å; S1057-Y1061 VanDerWaalsContact O-N 3.15Å
1058	S	78.2	Confident	75.8	Confident	57 Å²	57	45.1 Å²	45.1	40%	0.399	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-32	166.7	58.7	0	0	0	0	111.8	E555 Y1061 S1062	E555-S1058 WeakPolarHBondContact OE1-CB 3.2Å; E555-S1058 PolarHBondContact OE1-N 2.9Å; E555-S1058 PolarHBondContact OE1-OG 3.43Å; E555-S1058 PolarHBondContact OE2-N 2.97Å; S1058-Y1061 PolarHBondContact O-N 3.08Å; S1058-S1062 PolarHBondContact O-N 2.6Å
1059	L	69.8	Low	75.1	Confident	74 Å²	74	49.7 Å²	49.7	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-41.6	173.2	-178.5	60.4	0	0	0	112.8	W837 E838 S1057 Y1061 S1062 F1063	W837-L1059 HydrophobicContact CH2-CD1 4.36Å; W837-L1059 HydrophobicContact CH2-CG 4.17Å; E838-L1059 HydrophobicContact CG-CD2 3.91Å; E838-L1059 HydrophobicContact CG-CG 4.19Å; S1057-L1059 PolarHBondContact O-N 3.08Å; L1059-Y1061 VanDerWaalsContact C-N 3.3Å; L1059-Y1061 PolarHBondContact O-N 3.46Å; L1059-S1062 PolarHBondContact O-N 3.38Å; L1059-S1062 PolarHBondContact O-OG 3.33Å; L1059-F1063 HydrophobicContact CD1-CD2 4.05Å; L1059-F1063 HydrophobicContact CD1-CE2 3.79Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.41Å
1060	R	76.6	Confident	73.7	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-47.3	171.5	-179.9	51	51.5	132.4	11.6	110.2	E835 E838 E905 W1031 Y1056 S1057 S1062 F1063 L1064	E835-R1060 PolarHBondContact O-NH1 3.2Å; E838-R1060 WeakPolarHBondContact OE2-CB 3.42Å; E838-R1060 IonicContact OE2-CZ 3.87Å; E838-R1060 VanDerWaalsContact OE2-CZ 3.27Å; E838-R1060 IonicContact OE2-NE 3.64Å; E838-R1060 PolarHBondContact OE2-NE 3.04Å; E838-R1060 IonicContact OE2-NH2 3.71Å; E838-R1060 PolarHBondContact OE2-NH2 3.13Å; E905-R1060 IonicContact OE2-CZ 3.46Å; E905-R1060 IonicContact OE2-NH1 3.13Å; E905-R1060 IonicContact OE2-NH2 2.69Å; E905-R1060 PolarHBondContact OE2-NH2 2.96Å; W1031-R1060 HydrophobicContact CD2-CG 4.48Å; W1031-R1060 VanDerWaalsContact CE2-NH1 3.31Å; W1031-R1060 HydrophobicContact CE3-CG 3.97Å; W1031-R1060 HydrophobicContact CH2-CG 4.09Å; W1031-R1060 HydrophobicContact CZ3-CG 3.77Å; Y1056-R1060 HydrophobicContact CD2-CB 4.34Å; Y1056-R1060 HydrophobicContact CD2-CG 4.23Å; Y1056-R1060 HydrophobicContact CG-CG 4.46Å; S1057-R1060 PolarHBondContact O-N 3.29Å; S1057-R1060 WeakPolarHBondContact OG-CB 3.38Å; S1057-R1060 PolarHBondContact OG-N 2.92Å; R1060-S1062 PolarHBondContact O-N 2.77Å; R1060-F1063 CarbonylContact O-C 3.53Å; R1060-F1063 PolarHBondContact O-N 2.9Å; R1060-L1064 HydrophobicContact CG-CD2 3.97Å; R1060-L1064 HydrophobicContact CG-CG 4.41Å; R1060-L1064 WeakPolarHBondContact O-CG 3.48Å; R1060-L1064 PolarHBondContact O-N 3.34Å
1061	Y	80.9	Confident	71.8	Confident	35 Å²	35	46.4 Å²	46.4	14%	0.137	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-38.1	-176.1	-179.3	-107.7	0	0	0	113.8	Y553 K1034 A1037 R1054 Y1056 S1057 S1058 L1059 F1063 L1064	Y553-Y1061 HydrophobicContact CE1-CD1 4.3Å; Y553-Y1061 HydrophobicContact CE1-CG 4.02Å; Y553-Y1061 WeakPolarHBondContact OH-CD1 3.26Å; K1034-Y1061 HydrophobicContact CB-CE2 4.31Å; K1034-Y1061 WeakPolarHBondContact CE-O 3.31Å; K1034-Y1061 HydrophobicContact CG-CE2 4.14Å; A1037-Y1061 HydrophobicContact CB-CD2 4.49Å; A1037-Y1061 HydrophobicContact CB-CE2 4.06Å; R1054-Y1061 VanDerWaalsContact NH2-CE2 3.29Å; Y1056-Y1061 HydrophobicContact CE2-CD2 4.13Å; S1057-Y1061 PolarHBondContact O-N 3.37Å; S1057-Y1061 VanDerWaalsContact O-N 3.15Å; S1058-Y1061 PolarHBondContact O-N 3.08Å; L1059-Y1061 VanDerWaalsContact C-N 3.3Å; L1059-Y1061 PolarHBondContact O-N 3.46Å; Y1061-F1063 VanDerWaalsContact C-N 3.27Å; Y1061-F1063 PolarHBondContact O-N 2.99Å; Y1061-L1064 HydrophobicContact CD2-CD1 4.13Å; Y1061-L1064 PolarHBondContact O-N 2.8Å
1062	S	68.6	Low	69.4	Low	63 Å²	63	46.7 Å²	46.7	44%	0.441	24%	0.239	S	C	.	.	H	α-helix	trans	-67.2	-28.5	179	57.5	0	0	0	0	113.1	K1034 S1058 L1059 R1060	K1034-S1062 WeakPolarHBondContact CE-O 3.33Å; K1034-S1062 PolarHBondContact NZ-O 2.9Å; S1058-S1062 PolarHBondContact O-N 2.6Å; L1059-S1062 PolarHBondContact O-N 3.38Å; L1059-S1062 PolarHBondContact O-OG 3.33Å; R1060-S1062 PolarHBondContact O-N 2.77Å
1063	F	69.1	Low	66.7	Low	122 Å²	122	51.4 Å²	51.4	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-99.4	-1.9	178.8	-75	-95.7	0	0	0	114.9	W837 L1059 R1060 Y1061	W837-F1063 HydrophobicContact CE3-CD1 4.36Å; W837-F1063 HydrophobicContact CE3-CG 4.49Å; W837-F1063 HydrophobicContact CH2-CB 3.58Å; W837-F1063 AromaticContact CH2-CD1 4Å; W837-F1063 HydrophobicContact CH2-CD1 4Å; W837-F1063 AromaticContact CH2-CD2 3.28Å; W837-F1063 HydrophobicContact CH2-CD2 3.28Å; W837-F1063 AromaticContact CH2-CE2 3.88Å; W837-F1063 HydrophobicContact CH2-CE2 3.88Å; W837-F1063 AromaticContact CH2-CG 3.35Å; W837-F1063 HydrophobicContact CH2-CG 3.35Å; W837-F1063 HydrophobicContact CH2-CZ 4.45Å; W837-F1063 HydrophobicContact CZ2-CB 3.25Å; W837-F1063 HydrophobicContact CZ2-CD1 4.33Å; W837-F1063 AromaticContact CZ2-CD2 3.93Å; W837-F1063 HydrophobicContact CZ2-CD2 3.93Å; W837-F1063 AromaticContact CZ2-CG 3.61Å; W837-F1063 HydrophobicContact CZ2-CG 3.61Å; W837-F1063 HydrophobicContact CZ3-CB 4.37Å; W837-F1063 AromaticContact CZ3-CD1 3.98Å; W837-F1063 HydrophobicContact CZ3-CD1 3.98Å; W837-F1063 AromaticContact CZ3-CD2 3.83Å; W837-F1063 HydrophobicContact CZ3-CD2 3.83Å; W837-F1063 HydrophobicContact CZ3-CE1 4.16Å; W837-F1063 HydrophobicContact CZ3-CE2 4.02Å; W837-F1063 AromaticContact CZ3-CG 3.81Å; W837-F1063 HydrophobicContact CZ3-CG 3.81Å; W837-F1063 HydrophobicContact CZ3-CZ 4.18Å; L1059-F1063 HydrophobicContact CD1-CD2 4.05Å; L1059-F1063 HydrophobicContact CD1-CE2 3.79Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.41Å; R1060-F1063 CarbonylContact O-C 3.53Å; R1060-F1063 PolarHBondContact O-N 2.9Å; Y1061-F1063 VanDerWaalsContact C-N 3.27Å; Y1061-F1063 PolarHBondContact O-N 2.99Å
1064	L	69.2	Low	64	Low	5 Å²	5	51.6 Å²	51.6	3%	0.026	28%	0.276	C	S	.	.	S	Bend	trans	-59.4	141.8	167	-67.3	-176.1	0	0	0	109.7	W1031 I1032 K1034 Y1056 R1060 Y1061	W1031-L1064 HydrophobicContact CB-CD2 4.03Å; W1031-L1064 HydrophobicContact CD2-CD2 4.43Å; W1031-L1064 HydrophobicContact CE3-CD2 4.08Å; W1031-L1064 HydrophobicContact CG-CD2 4.44Å; I1032-L1064 HydrophobicContact CG1-CD1 4.38Å; I1032-L1064 WeakPolarHBondContact O-CD1 3.17Å; I1032-L1064 WeakPolarHBondContact O-CD2 3.47Å; K1034-L1064 WeakPolarHBondContact CD-O 3.27Å; K1034-L1064 WeakPolarHBondContact CE-O 3.45Å; K1034-L1064 HydrophobicContact CG-CB 3.87Å; K1034-L1064 PolarHBondContact NZ-O 3.47Å; Y1056-L1064 HydrophobicContact CE2-CD1 4.18Å; R1060-L1064 HydrophobicContact CG-CD2 3.97Å; R1060-L1064 HydrophobicContact CG-CG 4.41Å; R1060-L1064 WeakPolarHBondContact O-CG 3.48Å; R1060-L1064 PolarHBondContact O-N 3.34Å; Y1061-L1064 HydrophobicContact CD2-CD1 4.13Å; Y1061-L1064 PolarHBondContact O-N 2.8Å
1065	P	62.4	Low	61.8	Low	57 Å²	57	52.5 Å²	52.5	37%	0.37	28%	0.28	S	S	.	.			trans	-65.8	152.1	178.4	30.4	-36	0	0	0	110.4	S1033 K1034 E1067	S1033-P1065 CarbonylContact C-O 3.26Å; S1033-P1065 WeakPolarHBondContact CA-O 3.4Å; S1033-P1065 VanDerWaalsContact CB-O 3.24Å; S1033-P1065 WeakPolarHBondContact CB-O 3.33Å; K1034-P1065 PolarHBondContact N-O 2.89Å; P1065-E1067 WeakPolarHBondContact CB-O 3.46Å
1066	E	59.2	Low	60.1	Low	121 Å²	121	53.1 Å²	53.1	57%	0.565	28%	0.284	S	S	*	.	S	Bend	trans	-72.8	-43.7	-174.5	-51.9	-155.6	137.2	0	0	112.1	K1034 S1035	K1034-E1066 HydrophobicContact CD-CG 4.37Å; S1035-E1066 WeakPolarHBondContact CB-O 3.34Å; S1035-E1066 PolarHBondContact N-O 3.39Å; S1035-E1066 PolarHBondContact OG-O 2.99Å
1067	E	55.8	Low	59.2	Low	44 Å²	44	53.6 Å²	53.6	21%	0.206	29%	0.287	C	S	.	.	S	Bend	trans	-117.5	165.9	171.3	-61.6	-174.9	161.3	0	0	109.2	D349 Y524 P1065	D349-E1067 HydrophobicContact CB-CB 4.49Å; Y524-E1067 PolarHBondContact OH-OE1 3.15Å; P1065-E1067 WeakPolarHBondContact CB-O 3.46Å
1068	R	50.9	Low	59	Low	84 Å²	84	55.4 Å²	55.4	32%	0.317	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-73.1	138.8	169.3	-51.8	-164.9	-147.2	97	-6.7	108.8	E347 D349 N1036 G1070	E347-R1068 IonicContact OE1-NH2 3.81Å; E347-R1068 PolarHBondContact OE1-NH2 3.2Å; E347-R1068 IonicContact OE2-CZ 3.67Å; E347-R1068 IonicContact OE2-NH1 2.74Å; E347-R1068 PolarHBondContact OE2-NH1 3.01Å; E347-R1068 IonicContact OE2-NH2 3.76Å; E347-R1068 PolarHBondContact OE2-NH2 3.36Å; D349-R1068 HydrophobicContact CB-CB 4.45Å; D349-R1068 IonicContact OD1-NH1 3.19Å; D349-R1068 WeakPolarHBondContact OD2-CB 3.5Å; D349-R1068 IonicContact OD2-CZ 2.81Å; D349-R1068 IonicContact OD2-NH1 3.35Å; D349-R1068 PolarHBondContact OD2-NH1 2.84Å; N1036-R1068 PolarHBondContact OD1-NE 3.44Å; R1068-G1070 PolarHBondContact O-N 3.4Å
1069	R	49.3	Very low	58.6	Low	167 Å²	167	54.4 Å²	54.4	63%	0.63	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-62.5	129.3	168.9	-70.4	175.5	168.8	-163.1	-10.1	108.4	S1071 V1909	R1069-S1071 PolarHBondContact O-N 3.23Å; R1069-V1909 VanDerWaalsContact CZ-O 3.25Å; R1069-V1909 PolarHBondContact NH1-O 3.47Å; R1069-V1909 PolarHBondContact NH2-O 2.99Å
1070	G	42	Very low	58.8	Low	30 Å²	30	51.2 Å²	51.2	31%	0.309	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-60.4	117.3	-161.3	0	0	0	0	0	114.2	R1068 L1072	R1068-G1070 PolarHBondContact O-N 3.4Å; G1070-L1072 PolarHBondContact O-N 3.18Å
1071	S	40.6	Very low	59	Low	50 Å²	50	51 Å²	51	35%	0.35	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.8	-14.7	-173.9	57.9	0	0	0	0	115.4	R1069 S1073 G1074 H1075	R1069-S1071 PolarHBondContact O-N 3.23Å; S1071-S1073 PolarHBondContact O-N 2.94Å; S1071-S1073 VanDerWaalsContact O-N 3.09Å; S1071-G1074 PolarHBondContact O-N 3.39Å; S1071-H1075 PolarHBondContact O-CD2 3.32Å; S1071-H1075 PolarHBondContact OG-NE2 3.09Å
1072	L	40.6	Very low	58.8	Low	32 Å²	32	49.8 Å²	49.8	17%	0.168	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.8	-0.3	-178.6	-80.6	159	0	0	0	115.2	G1070 G1074 K1103	G1070-L1072 PolarHBondContact O-N 3.18Å; L1072-G1074 VanDerWaalsContact C-N 3.28Å; L1072-K1103 HydrophobicContact CB-CB 4.43Å; L1072-K1103 HydrophobicContact CD1-CB 3.77Å; L1072-K1103 HydrophobicContact CD1-CD 4.47Å
1073	S	36.4	Very low	58.9	Low	99 Å²	99	47.6 Å²	47.6	69%	0.692	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-78.5	-7.9	161.9	63.1	0	0	0	0	113.7	S1071	S1071-S1073 PolarHBondContact O-N 2.94Å; S1071-S1073 VanDerWaalsContact O-N 3.09Å
1074	G	38.7	Very low	59.1	Low	8 Å²	8	41.9 Å²	41.9	8%	0.082	22%	0.221	C	C	.	.	S	Bend	trans	-149.7	34.2	-167	0	0	0	0	0	118.1	F1018 S1071 L1072	F1018-G1074 WeakPolarHBondContact CB-O 3.4Å; S1071-G1074 PolarHBondContact O-N 3.39Å; L1072-G1074 VanDerWaalsContact C-N 3.28Å
1075	H	48.5	Very low	59.5	Low	23 Å²	23	42.2 Å²	42.2	11%	0.106	22%	0.222	C	C	.	.	S	Bend	trans	-94.2	158.5	167.8	-70.9	-59.4	0	0	0	111.8	V388 S1071 I1077	V388-H1075 HydrophobicContact CG2-CB 4.44Å; S1071-H1075 PolarHBondContact O-CD2 3.32Å; S1071-H1075 PolarHBondContact OG-NE2 3.09Å; H1075-I1077 VanDerWaalsContact O-CG1 3.31Å; H1075-I1077 WeakPolarHBondContact O-CG1 3.32Å; H1075-I1077 PolarHBondContact O-N 3.23Å
1076	V	55.1	Low	59.7	Low	34 Å²	34	40.3 Å²	40.3	21%	0.206	21%	0.208	C	C	.	.			trans	-64.5	92.4	173.5	-179.9	0	0	0	0	109.7	T1025 E1078 E1079	T1025-V1076 HydrophobicContact CG2-CG2 4.3Å; V1076-E1078 HydrophobicContact CG1-CB 4.15Å; V1076-E1078 WeakPolarHBondContact CG1-OE2 3.15Å; V1076-E1078 PolarHBondContact O-N 2.79Å; V1076-E1078 VanDerWaalsContact O-N 3.15Å; V1076-E1079 HydrophobicContact CG1-CG 4.29Å; V1076-E1079 PolarHBondContact O-N 3.13Å
1077	I	69.9	Low	59.9	Low	15 Å²	15	36 Å²	36	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-26.2	-172.6	-58	-170.5	0	0	0	111	H1075 E1079 M1080 C1081 P1105 S1109 A1113	H1075-I1077 VanDerWaalsContact O-CG1 3.31Å; H1075-I1077 WeakPolarHBondContact O-CG1 3.32Å; H1075-I1077 PolarHBondContact O-N 3.23Å; I1077-E1079 VanDerWaalsContact C-N 3.3Å; I1077-E1079 PolarHBondContact O-N 3.09Å; I1077-M1080 HydrophobicContact CG1-CE 4.42Å; I1077-M1080 HydrophobicContact CG2-CE 4.06Å; I1077-M1080 CarbonylContact O-C 3.6Å; I1077-M1080 WeakPolarHBondContact O-CA 3.38Å; I1077-M1080 PolarHBondContact O-N 3.36Å; I1077-C1081 WeakPolarHBondContact O-CB 3.35Å; I1077-C1081 PolarHBondContact O-N 3.18Å; I1077-P1105 HydrophobicContact CD1-CB 3.88Å; I1077-S1109 WeakPolarHBondContact CD1-OG 3.12Å; I1077-A1113 HydrophobicContact CB-CB 3.8Å; I1077-A1113 HydrophobicContact CG2-CB 3.68Å
1078	E	76.9	Confident	60.3	Low	39 Å²	39	34.3 Å²	34.3	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-53.9	-42.1	172.8	-63.6	99.4	122.4	0	0	112.9	V1076 M1080 I1082 A1113 T1116 L1117 P1143	V1076-E1078 HydrophobicContact CG1-CB 4.15Å; V1076-E1078 WeakPolarHBondContact CG1-OE2 3.15Å; V1076-E1078 PolarHBondContact O-N 2.79Å; V1076-E1078 VanDerWaalsContact O-N 3.15Å; E1078-M1080 VanDerWaalsContact C-N 3.35Å; E1078-I1082 WeakPolarHBondContact O-CB 3.25Å; E1078-I1082 WeakPolarHBondContact O-CD1 3.44Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.45Å; E1078-I1082 PolarHBondContact O-N 3.4Å; E1078-A1113 HydrophobicContact CG-CB 4.11Å; E1078-T1116 HydrophobicContact CG-CG2 4.35Å; E1078-L1117 HydrophobicContact CB-CD1 4.39Å; E1078-L1117 HydrophobicContact CB-CD2 3.88Å; E1078-L1117 HydrophobicContact CB-CG 4.11Å; E1078-L1117 HydrophobicContact CG-CD2 4.21Å; E1078-L1117 HydrophobicContact CG-CG 4.13Å; E1078-P1143 HydrophobicContact CB-CG 4.22Å
1079	E	71.2	Confident	60.8	Low	36 Å²	36	32.3 Å²	32.3	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-34.9	176.8	-68	-166.5	-178.5	0	0	112	V1076 I1077 Q1083 P1143	V1076-E1079 HydrophobicContact CG1-CG 4.29Å; V1076-E1079 PolarHBondContact O-N 3.13Å; I1077-E1079 VanDerWaalsContact C-N 3.3Å; I1077-E1079 PolarHBondContact O-N 3.09Å; E1079-Q1083 WeakPolarHBondContact O-CB 3.22Å; E1079-Q1083 VanDerWaalsContact O-CG 3.29Å; E1079-Q1083 WeakPolarHBondContact O-CG 3.24Å; E1079-Q1083 PolarHBondContact O-N 2.81Å; E1079-Q1083 PolarHBondContact O-NE2 2.81Å; E1079-P1143 HydrophobicContact CG-CG 4.26Å
1080	M	73	Confident	61.6	Low	8 Å²	8	28.8 Å²	28.8	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-72.7	-38.9	177	-169.4	174.2	51.7	0	0	111.8	V388 I392 I1077 E1078 Q1083 A1084 L1098 L1101 P1105	V388-M1080 HydrophobicContact CG1-CB 4.02Å; V388-M1080 HydrophobicContact CG1-CG 4.23Å; I392-M1080 HydrophobicContact CD1-CG 4.03Å; I1077-M1080 HydrophobicContact CG1-CE 4.42Å; I1077-M1080 HydrophobicContact CG2-CE 4.06Å; I1077-M1080 CarbonylContact O-C 3.6Å; I1077-M1080 WeakPolarHBondContact O-CA 3.38Å; I1077-M1080 PolarHBondContact O-N 3.36Å; E1078-M1080 VanDerWaalsContact C-N 3.35Å; M1080-Q1083 PolarHBondContact O-N 3.48Å; M1080-A1084 WeakPolarHBondContact O-CB 3.29Å; M1080-A1084 PolarHBondContact O-N 2.78Å; M1080-L1098 HydrophobicContact CE-CD2 4.17Å; M1080-L1098 HydrophobicContact CG-CD2 3.87Å; M1080-L1098 HydrophobicContact SD-CD2 4.19Å; M1080-L1101 HydrophobicContact SD-CD1 3.74Å; M1080-P1105 HydrophobicContact CE-CB 3.96Å; M1080-P1105 HydrophobicContact CE-CG 3.65Å
1081	C	80.4	Confident	62.7	Low	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-43.6	171.8	-78.9	0	0	0	0	111.4	I1077 A1084 R1085 L1094 L1117	I1077-C1081 WeakPolarHBondContact O-CB 3.35Å; I1077-C1081 PolarHBondContact O-N 3.18Å; C1081-A1084 PolarHBondContact O-N 3.46Å; C1081-R1085 WeakPolarHBondContact O-CB 3.33Å; C1081-R1085 PolarHBondContact O-N 2.77Å; C1081-L1094 HydrophobicContact CB-CD1 4.06Å; C1081-L1094 WeakPolarHBondContact O-CD2 3.25Å; C1081-L1117 HydrophobicContact CB-CD1 3.52Å
1082	I	77.9	Confident	64.1	Low	8 Å²	8	32 Å²	32	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-52.1	172.5	-71.9	164.7	0	0	0	109.8	E1078 A1084 R1085 L1086 L1117 V1122 L1129 I1136 C1137 P1143	E1078-I1082 WeakPolarHBondContact O-CB 3.25Å; E1078-I1082 WeakPolarHBondContact O-CD1 3.44Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.45Å; E1078-I1082 PolarHBondContact O-N 3.4Å; I1082-A1084 PolarHBondContact O-N 3.17Å; I1082-R1085 PolarHBondContact O-N 3.44Å; I1082-L1086 HydrophobicContact CG2-CD1 4.11Å; I1082-L1086 HydrophobicContact CG2-CG 4.49Å; I1082-L1086 VanDerWaalsContact O-CB 3.22Å; I1082-L1086 WeakPolarHBondContact O-CB 3.49Å; I1082-L1086 WeakPolarHBondContact O-CG 3.37Å; I1082-L1086 PolarHBondContact O-N 2.87Å; I1082-L1117 HydrophobicContact CD1-CD2 3.84Å; I1082-L1117 HydrophobicContact CG1-CD1 4.01Å; I1082-L1117 HydrophobicContact CG1-CD2 3.98Å; I1082-V1122 HydrophobicContact CD1-CG1 3.89Å; I1082-V1122 HydrophobicContact CG1-CG1 3.8Å; I1082-L1129 HydrophobicContact CG2-CD2 4.46Å; I1082-I1136 HydrophobicContact CD1-CG2 4.23Å; I1082-C1137 HydrophobicContact CG2-CB 4.41Å; I1082-C1137 WeakPolarHBondContact CG2-SG 3.26Å; I1082-P1143 HydrophobicContact CD1-CB 4.49Å; I1082-P1143 HydrophobicContact CD1-CG 3.84Å
1083	Q	69.7	Low	66	Low	18 Å²	18	34 Å²	34	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-36.3	180	-72.3	174.2	64.6	0	0	113.5	I392 E1079 M1080 L1086 L1087	I392-Q1083 HydrophobicContact CD1-CB 3.53Å; E1079-Q1083 WeakPolarHBondContact O-CB 3.22Å; E1079-Q1083 VanDerWaalsContact O-CG 3.29Å; E1079-Q1083 WeakPolarHBondContact O-CG 3.24Å; E1079-Q1083 PolarHBondContact O-N 2.81Å; E1079-Q1083 PolarHBondContact O-NE2 2.81Å; M1080-Q1083 PolarHBondContact O-N 3.48Å; Q1083-L1086 WeakPolarHBondContact O-CB 3.5Å; Q1083-L1087 WeakPolarHBondContact O-CD1 3.26Å; Q1083-L1087 PolarHBondContact O-N 3.38Å
1084	A	74.6	Confident	68.1	Low	2 Å²	2	29.2 Å²	29.2	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-72.4	-39.7	177.4	0	0	0	0	0	112.5	M1080 C1081 I1082 L1087 A1088 L1094 V1097 L1098	M1080-A1084 WeakPolarHBondContact O-CB 3.29Å; M1080-A1084 PolarHBondContact O-N 2.78Å; C1081-A1084 PolarHBondContact O-N 3.46Å; I1082-A1084 PolarHBondContact O-N 3.17Å; A1084-L1087 PolarHBondContact O-N 3.38Å; A1084-A1088 VanDerWaalsContact O-CB 3.32Å; A1084-A1088 WeakPolarHBondContact O-CB 3.24Å; A1084-A1088 PolarHBondContact O-N 3.21Å; A1084-L1094 HydrophobicContact CB-CD2 3.61Å; A1084-V1097 HydrophobicContact CB-CG1 4.01Å; A1084-L1098 HydrophobicContact CB-CD2 3.71Å; A1084-L1098 HydrophobicContact CB-CG 4.29Å
1085	R	77.4	Confident	70	Confident	11 Å²	11	31.7 Å²	31.7	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-69.4	-42	178.1	-178.7	66.3	-145.3	114.2	35.4	110.9	C1081 I1082 L1087 A1088 P1089 I1092 L1094 L1123 E1127 E1128 L1129	C1081-R1085 WeakPolarHBondContact O-CB 3.33Å; C1081-R1085 PolarHBondContact O-N 2.77Å; I1082-R1085 PolarHBondContact O-N 3.44Å; R1085-L1087 PolarHBondContact O-N 2.93Å; R1085-A1088 VanDerWaalsContact CZ-O 3.3Å; R1085-A1088 PolarHBondContact NH1-O 3.46Å; R1085-A1088 PolarHBondContact NH2-O 3.35Å; R1085-A1088 PolarHBondContact O-N 3.49Å; R1085-P1089 PolarHBondContact NH1-O 3.41Å; R1085-I1092 PolarHBondContact NH1-O 3.28Å; R1085-L1094 HydrophobicContact CB-CD1 4.13Å; R1085-L1094 HydrophobicContact CB-CD2 3.75Å; R1085-L1094 HydrophobicContact CB-CG 4.09Å; R1085-L1094 VanDerWaalsContact N-CD2 3.3Å; R1085-L1123 HydrophobicContact CB-CD2 4.34Å; R1085-L1123 HydrophobicContact CG-CD2 4.14Å; R1085-E1127 WeakPolarHBondContact CD-O 3.16Å; R1085-E1127 WeakPolarHBondContact CG-O 3.42Å; R1085-E1127 PolarHBondContact NE-O 2.99Å; R1085-E1128 IonicContact CZ-OE1 3.18Å; R1085-E1128 IonicContact CZ-OE2 3.7Å; R1085-E1128 VanDerWaalsContact CZ-OE2 3.27Å; R1085-E1128 IonicContact NE-OE1 3.79Å; R1085-E1128 IonicContact NE-OE2 2.71Å; R1085-E1128 PolarHBondContact NE-OE2 3.47Å; R1085-E1128 IonicContact NH2-OE1 2.77Å; R1085-E1128 PolarHBondContact NH2-OE1 2.91Å; R1085-E1128 IonicContact NH2-OE2 3.59Å; R1085-E1128 PolarHBondContact NH2-OE2 2.63Å; R1085-L1129 HydrophobicContact CB-CD1 4.25Å; R1085-L1129 HydrophobicContact CG-CD1 4.05Å; R1085-L1129 HydrophobicContact CG-CG 4.12Å
1086	L	65.8	Low	71.2	Confident	17 Å²	17	33.1 Å²	33.1	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-45.6	-52.6	167.8	-85.8	179.8	0	0	0	110.2	W381 I1082 Q1083 L1129 Y1134 C1137	W381-L1086 HydrophobicContact CB-CD1 4.44Å; W381-L1086 HydrophobicContact CD2-CB 4.35Å; W381-L1086 HydrophobicContact CD2-CD1 4.08Å; W381-L1086 HydrophobicContact CD2-CD2 3.58Å; W381-L1086 HydrophobicContact CD2-CG 4.21Å; W381-L1086 HydrophobicContact CE3-CB 3.56Å; W381-L1086 HydrophobicContact CE3-CD1 3.82Å; W381-L1086 HydrophobicContact CE3-CD2 3.7Å; W381-L1086 HydrophobicContact CE3-CG 3.88Å; W381-L1086 HydrophobicContact CG-CD1 4.33Å; W381-L1086 HydrophobicContact CG-CD2 4.16Å; W381-L1086 HydrophobicContact CH2-CB 4.02Å; W381-L1086 HydrophobicContact CH2-CD2 4.04Å; W381-L1086 WeakPolarHBondContact CH2-O 3.15Å; W381-L1086 HydrophobicContact CZ2-CD2 3.83Å; W381-L1086 HydrophobicContact CZ3-CB 3.39Å; W381-L1086 HydrophobicContact CZ3-CD2 3.96Å; W381-L1086 HydrophobicContact CZ3-CG 4.13Å; W381-L1086 WeakPolarHBondContact CZ3-O 2.73Å; I1082-L1086 HydrophobicContact CG2-CD1 4.11Å; I1082-L1086 HydrophobicContact CG2-CG 4.49Å; I1082-L1086 VanDerWaalsContact O-CB 3.22Å; I1082-L1086 WeakPolarHBondContact O-CB 3.49Å; I1082-L1086 WeakPolarHBondContact O-CG 3.37Å; I1082-L1086 PolarHBondContact O-N 2.87Å; Q1083-L1086 WeakPolarHBondContact O-CB 3.5Å; L1086-L1129 HydrophobicContact CB-CD1 4.21Å; L1086-L1129 HydrophobicContact CD2-CD1 3.41Å; L1086-L1129 VanDerWaalsContact CD2-CD1 3.41Å; L1086-L1129 HydrophobicContact CG-CD1 3.55Å; L1086-Y1134 HydrophobicContact CD2-CD1 4.23Å; L1086-Y1134 HydrophobicContact CD2-CE1 4.04Å; L1086-C1137 HydrophobicContact CD1-CB 4.34Å
1087	L	63	Low	71.9	Confident	32 Å²	32	32.4 Å²	32.4	17%	0.168	18%	0.183	C	C	.	.	H	α-helix	trans	-81.2	-13	-174.5	-85.3	151.8	0	0	0	116.6	L325 C329 W381 I392 I396 Q1083 A1084 R1085	L325-L1087 HydrophobicContact CD2-CD1 4.35Å; C329-L1087 WeakPolarHBondContact SG-CD2 3.39Å; W381-L1087 HydrophobicContact CZ3-CG 4.44Å; I392-L1087 HydrophobicContact CG2-CD1 3.31Å; I396-L1087 HydrophobicContact CD1-CD1 3.67Å; I396-L1087 HydrophobicContact CD1-CD2 3.56Å; I396-L1087 HydrophobicContact CD1-CG 4.17Å; I396-L1087 HydrophobicContact CG1-CD2 4.34Å; Q1083-L1087 WeakPolarHBondContact O-CD1 3.26Å; Q1083-L1087 PolarHBondContact O-N 3.38Å; A1084-L1087 PolarHBondContact O-N 3.38Å; R1085-L1087 PolarHBondContact O-N 2.93Å
1088	A	64.8	Low	72.2	Confident	7 Å²	7	31.8 Å²	31.8	6%	0.058	18%	0.18	C	C	.	.	S	Bend	trans	-98.9	137.7	-175.7	0	0	0	0	0	112.4	A1084 R1085 V1097	A1084-A1088 VanDerWaalsContact O-CB 3.32Å; A1084-A1088 WeakPolarHBondContact O-CB 3.24Å; A1084-A1088 PolarHBondContact O-N 3.21Å; R1085-A1088 VanDerWaalsContact CZ-O 3.3Å; R1085-A1088 PolarHBondContact NH1-O 3.46Å; R1085-A1088 PolarHBondContact NH2-O 3.35Å; R1085-A1088 PolarHBondContact O-N 3.49Å; A1088-V1097 HydrophobicContact CB-CG1 4.49Å; A1088-V1097 HydrophobicContact CB-CG2 3.53Å
1089	P	61.4	Low	72	Confident	43 Å²	43	33 Å²	33	28%	0.279	19%	0.192	S	C	.	.			trans	-63	156.1	171.4	27.7	-34	0	0	0	111.5	L367 R1085 N1091 I1092	L367-P1089 WeakPolarHBondContact O-CD 3.23Å; L367-P1089 WeakPolarHBondContact O-CG 3.47Å; R1085-P1089 PolarHBondContact NH1-O 3.41Å; P1089-N1091 WeakPolarHBondContact CB-OD1 3.32Å; P1089-N1091 WeakPolarHBondContact CG-OD1 3.25Å; P1089-N1091 PolarHBondContact O-N 3.05Å; P1089-I1092 HydrophobicContact CG-CD1 3.76Å; P1089-I1092 HydrophobicContact CG-CG1 4.18Å; P1089-I1092 PolarHBondContact O-N 3.45Å
1090	S	65.7	Low	71.7	Confident	92 Å²	92	33.3 Å²	33.3	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.4	-171.4	-54.3	0	0	0	0	116.1	E1128	S1090-E1128 WeakPolarHBondContact CA-OE1 3.31Å; S1090-E1128 WeakPolarHBondContact CB-OE1 3.33Å; S1090-E1128 PolarHBondContact OG-OE1 3.26Å
1091	N	65.7	Low	71.5	Confident	126 Å²	126	33.7 Å²	33.7	67%	0.674	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	10.7	-178.6	63.3	-34.7	0	0	0	113.7	P1089	P1089-N1091 WeakPolarHBondContact CB-OD1 3.32Å; P1089-N1091 WeakPolarHBondContact CG-OD1 3.25Å; P1089-N1091 PolarHBondContact O-N 3.05Å
1092	I	69.8	Low	70.7	Confident	21 Å²	21	34.2 Å²	34.2	11%	0.108	21%	0.207	C	C	.	.	S	Bend	trans	-129	129.6	-177.2	-49.3	-178.1	0	0	0	110.2	L367 R1085 P1089 T1096 V1097	L367-I1092 HydrophobicContact CB-CD1 3.61Å; L367-I1092 HydrophobicContact CD1-CD1 4.31Å; L367-I1092 HydrophobicContact CD2-CD1 3.82Å; L367-I1092 HydrophobicContact CD2-CG1 4.4Å; L367-I1092 HydrophobicContact CG-CD1 4.1Å; L367-I1092 WeakPolarHBondContact O-CD1 3.34Å; R1085-I1092 PolarHBondContact NH1-O 3.28Å; P1089-I1092 HydrophobicContact CG-CD1 3.76Å; P1089-I1092 HydrophobicContact CG-CG1 4.18Å; P1089-I1092 PolarHBondContact O-N 3.45Å; I1092-T1096 HydrophobicContact CG2-CG2 4.07Å; I1092-V1097 HydrophobicContact CG2-CG2 3.78Å
1093	T	79.9	Confident	69.9	Low	74 Å²	74	35.7 Å²	35.7	45%	0.454	21%	0.213	S	C	.	.			trans	-70.7	148.7	175.1	63.7	0	0	0	0	110.9	Q1095 T1096 V1097	T1093-Q1095 PolarHBondContact O-N 3.04Å; T1093-T1096 PolarHBondContact O-N 3.03Å; T1093-T1096 VanDerWaalsContact O-N 3.17Å; T1093-T1096 PolarHBondContact OG1-OG1 2.97Å; T1093-V1097 PolarHBondContact O-N 3.13Å
1094	L	80.3	Confident	69.7	Low	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.7	-36	178.2	-90.2	175.3	0	0	0	113	C1081 A1084 R1085 T1096 V1097 L1098 I1114 L1123 E1127	C1081-L1094 HydrophobicContact CB-CD1 4.06Å; C1081-L1094 WeakPolarHBondContact O-CD2 3.25Å; A1084-L1094 HydrophobicContact CB-CD2 3.61Å; R1085-L1094 HydrophobicContact CB-CD1 4.13Å; R1085-L1094 HydrophobicContact CB-CD2 3.75Å; R1085-L1094 HydrophobicContact CB-CG 4.09Å; R1085-L1094 VanDerWaalsContact N-CD2 3.3Å; L1094-T1096 VanDerWaalsContact C-N 3.31Å; L1094-T1096 PolarHBondContact O-N 3.3Å; L1094-V1097 PolarHBondContact O-N 2.87Å; L1094-L1098 WeakPolarHBondContact O-CG 3.37Å; L1094-L1098 PolarHBondContact O-N 3.43Å; L1094-I1114 HydrophobicContact CB-CD1 3.61Å; L1094-I1114 HydrophobicContact CB-CG1 4.23Å; L1094-I1114 HydrophobicContact CD1-CD1 4.16Å; L1094-I1114 HydrophobicContact CD1-CG1 3.83Å; L1094-L1123 HydrophobicContact CD1-CD1 3.68Å; L1094-E1127 PolarHBondContact N-OE2 2.95Å
1095	Q	78.8	Confident	69.3	Low	60 Å²	60	38.9 Å²	38.9	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-38.3	-179.6	-169.4	59.2	27.5	0	0	112.8	T1093 S1099	T1093-Q1095 PolarHBondContact O-N 3.04Å; Q1095-S1099 WeakPolarHBondContact O-CB 3.4Å; Q1095-S1099 PolarHBondContact O-N 2.94Å; Q1095-S1099 VanDerWaalsContact O-N 3.15Å; Q1095-S1099 PolarHBondContact O-OG 2.79Å
1096	T	74.4	Confident	68.9	Low	53 Å²	53	41.2 Å²	41.2	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-46.9	176.1	-57.7	0	0	0	0	110.8	I1092 T1093 L1094 L1098 S1099 A1100	I1092-T1096 HydrophobicContact CG2-CG2 4.07Å; T1093-T1096 PolarHBondContact O-N 3.03Å; T1093-T1096 VanDerWaalsContact O-N 3.17Å; T1093-T1096 PolarHBondContact OG1-OG1 2.97Å; L1094-T1096 VanDerWaalsContact C-N 3.31Å; L1094-T1096 PolarHBondContact O-N 3.3Å; T1096-L1098 PolarHBondContact O-N 2.97Å; T1096-S1099 PolarHBondContact O-N 2.92Å; T1096-S1099 PolarHBondContact O-OG 2.85Å; T1096-A1100 PolarHBondContact O-N 3.39Å
1097	V	70.1	Confident	69.2	Low	19 Å²	19	44 Å²	44	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-46.5	-178.4	-174.6	0	0	0	0	111.2	M368 A1084 A1088 I1092 T1093 L1094 S1099 A1100	M368-V1097 HydrophobicContact CE-CG1 4.21Å; A1084-V1097 HydrophobicContact CB-CG1 4.01Å; A1088-V1097 HydrophobicContact CB-CG1 4.49Å; A1088-V1097 HydrophobicContact CB-CG2 3.53Å; I1092-V1097 HydrophobicContact CG2-CG2 3.78Å; T1093-V1097 PolarHBondContact O-N 3.13Å; L1094-V1097 PolarHBondContact O-N 2.87Å; V1097-S1099 VanDerWaalsContact C-N 3.28Å; V1097-S1099 PolarHBondContact O-N 3.49Å; V1097-A1100 PolarHBondContact O-N 2.86Å
1098	L	75.1	Confident	69.6	Low	2 Å²	2	47.8 Å²	47.8	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-26.5	179.8	-64.5	175.2	0	0	0	112.6	M1080 A1084 L1094 T1096 A1100 L1101 P1104 P1105 C1110	M1080-L1098 HydrophobicContact CE-CD2 4.17Å; M1080-L1098 HydrophobicContact CG-CD2 3.87Å; M1080-L1098 HydrophobicContact SD-CD2 4.19Å; A1084-L1098 HydrophobicContact CB-CD2 3.71Å; A1084-L1098 HydrophobicContact CB-CG 4.29Å; L1094-L1098 WeakPolarHBondContact O-CG 3.37Å; L1094-L1098 PolarHBondContact O-N 3.43Å; T1096-L1098 PolarHBondContact O-N 2.97Å; L1098-A1100 VanDerWaalsContact C-N 3.28Å; L1098-A1100 PolarHBondContact O-N 3.04Å; L1098-L1101 HydrophobicContact CB-CD1 4.47Å; L1098-L1101 HydrophobicContact CD2-CD1 3.84Å; L1098-L1101 WeakPolarHBondContact O-CG 3.37Å; L1098-P1104 WeakPolarHBondContact O-CB 3.33Å; L1098-P1105 HydrophobicContact CB-CG 4.14Å; L1098-C1110 HydrophobicContact CD1-CB 4.4Å
1099	S	72.4	Confident	69.9	Low	64 Å²	64	48 Å²	48	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-72.4	-16.6	175.7	75.4	0	0	0	0	114.5	Q1095 T1096 V1097	Q1095-S1099 WeakPolarHBondContact O-CB 3.4Å; Q1095-S1099 PolarHBondContact O-N 2.94Å; Q1095-S1099 VanDerWaalsContact O-N 3.15Å; Q1095-S1099 PolarHBondContact O-OG 2.79Å; T1096-S1099 PolarHBondContact O-N 2.92Å; T1096-S1099 PolarHBondContact O-OG 2.85Å; V1097-S1099 VanDerWaalsContact C-N 3.28Å; V1097-S1099 PolarHBondContact O-N 3.49Å
1100	A	66.2	Low	70.7	Confident	43 Å²	43	46 Å²	46	36%	0.355	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.2	178.7	0	0	0	0	0	114.2	Y533 T1096 V1097 L1098	Y533-A1100 PolarHBondContact OH-O 2.89Å; T1096-A1100 PolarHBondContact O-N 3.39Å; V1097-A1100 PolarHBondContact O-N 2.86Å; L1098-A1100 VanDerWaalsContact C-N 3.28Å; L1098-A1100 PolarHBondContact O-N 3.04Å
1101	L	68.9	Low	71.5	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.079	27%	0.267	C	S	.	.	S	Bend	trans	-63.7	152	177.5	-64.1	175	0	0	0	111.7	I392 A395 M1080 L1098 K1103	I392-L1101 HydrophobicContact CG1-CD2 4.08Å; A395-L1101 HydrophobicContact CB-CD2 4.04Å; M1080-L1101 HydrophobicContact SD-CD1 3.74Å; L1098-L1101 HydrophobicContact CB-CD1 4.47Å; L1098-L1101 HydrophobicContact CD2-CD1 3.84Å; L1098-L1101 WeakPolarHBondContact O-CG 3.37Å; L1101-K1103 VanDerWaalsContact C-N 3.25Å; L1101-K1103 PolarHBondContact O-N 2.98Å
1102	P	62.9	Low	72	Confident	11 Å²	11	42.4 Å²	42.4	7%	0.071	25%	0.245	C	C	.	.	S	Bend	trans	-55.3	-37.5	177.9	-26.7	34.4	0	0	0	113.8	P352 L394 Y533	P352-P1102 VanDerWaalsContact CB-O 3.26Å; P352-P1102 WeakPolarHBondContact CB-O 3.28Å; P352-P1102 VanDerWaalsContact CG-O 3.3Å; P352-P1102 WeakPolarHBondContact CG-O 3.27Å; L394-P1102 HydrophobicContact CB-CG 4.05Å; L394-P1102 HydrophobicContact CD1-CG 4.39Å; Y533-P1102 HydrophobicContact CE1-CG 4.11Å; Y533-P1102 HydrophobicContact CE2-CB 4.47Å; Y533-P1102 HydrophobicContact CE2-CG 4.35Å
1103	K	61.4	Low	72.6	Confident	40 Å²	40	41.6 Å²	41.6	17%	0.174	24%	0.242	C	C	.	.	S	Bend	trans	-126.7	100.7	166.9	-73.6	-174.6	179.8	-176.8	0	108.1	D349 E350 I351 P352 L1072 L1101	D349-K1103 PolarHBondContact O-NZ 2.73Å; E350-K1103 WeakPolarHBondContact O-CE 3.4Å; I351-K1103 WeakPolarHBondContact O-CE 3.26Å; I351-K1103 PolarHBondContact O-NZ 2.98Å; P352-K1103 HydrophobicContact CB-CG 4.35Å; L1072-K1103 HydrophobicContact CB-CB 4.43Å; L1072-K1103 HydrophobicContact CD1-CB 3.77Å; L1072-K1103 HydrophobicContact CD1-CD 4.47Å; L1101-K1103 VanDerWaalsContact C-N 3.25Å; L1101-K1103 PolarHBondContact O-N 2.98Å
1104	P	64.5	Low	72.9	Confident	73 Å²	73	38.6 Å²	38.6	47%	0.474	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-76.2	142.6	-177.8	30.4	-34.5	0	0	0	111.5	L1098	L1098-P1104 WeakPolarHBondContact O-CB 3.33Å
1105	P	66.8	Low	73	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.084	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.9	165.6	172.1	28.5	-39.1	0	0	0	113.3	I1077 M1080 L1098 C1110	I1077-P1105 HydrophobicContact CD1-CB 3.88Å; M1080-P1105 HydrophobicContact CE-CB 3.96Å; M1080-P1105 HydrophobicContact CE-CG 3.65Å; L1098-P1105 HydrophobicContact CB-CG 4.14Å; P1105-C1110 WeakPolarHBondContact CG-SG 3.4Å
1106	S	68.4	Low	73.1	Confident	61 Å²	61	41.7 Å²	41.7	43%	0.427	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-67.8	134.4	175.9	82.9	0	0	0	0	111.3	K1108 S1109 C1110	S1106-K1108 VanDerWaalsContact C-N 3.3Å; S1106-K1108 PolarHBondContact O-N 3.11Å; S1106-S1109 PolarHBondContact O-N 3.06Å; S1106-S1109 VanDerWaalsContact O-N 3.09Å; S1106-S1109 VanDerWaalsContact OG-CB 3.31Å; S1106-S1109 WeakPolarHBondContact OG-CB 3.46Å; S1106-C1110 PolarHBondContact O-N 2.97Å; S1106-C1110 VanDerWaalsContact O-N 3.12Å
1107	P	73.3	Confident	73.7	Confident	76 Å²	76	39.2 Å²	39.2	49%	0.494	22%	0.224	S	C	.	.	H	α-helix	trans	-57.2	-38.5	-176.4	-29.2	35.9	0	0	0	114.3	S1109 C1110 E1111	P1107-S1109 VanDerWaalsContact C-N 3.31Å; P1107-S1109 PolarHBondContact O-N 3.02Å; P1107-C1110 WeakPolarHBondContact O-CB 3.25Å; P1107-C1110 PolarHBondContact O-N 3.17Å; P1107-E1111 WeakPolarHBondContact O-CG 3.41Å; P1107-E1111 PolarHBondContact O-N 2.92Å
1108	K	71.7	Confident	74.5	Confident	111 Å²	111	41.4 Å²	41.4	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-35.9	179.1	-170.6	72.7	-139.5	80.2	0	112.2	S1106 E1111 N1112	S1106-K1108 VanDerWaalsContact C-N 3.3Å; S1106-K1108 PolarHBondContact O-N 3.11Å; K1108-E1111 WeakPolarHBondContact CD-OE2 3.44Å; K1108-E1111 WeakPolarHBondContact CE-OE2 3.39Å; K1108-E1111 IonicContact NZ-OE2 2.66Å; K1108-E1111 PolarHBondContact NZ-OE2 3.27Å; K1108-E1111 PolarHBondContact O-N 2.68Å; K1108-N1112 WeakPolarHBondContact CE-OD1 3.21Å; K1108-N1112 PolarHBondContact NZ-OD1 2.94Å; K1108-N1112 PolarHBondContact O-N 2.98Å; K1108-N1112 VanDerWaalsContact O-N 3.08Å; K1108-N1112 PolarHBondContact O-OD1 2.85Å; K1108-N1112 VanDerWaalsContact O-OD1 3.07Å
1109	S	69.4	Low	74.7	Confident	11 Å²	11	43.8 Å²	43.8	8%	0.077	24%	0.243	C	C	.	.	H	α-helix	trans	-76.8	-31.8	179.3	-153.1	0	0	0	0	111.7	I1077 S1106 P1107 N1112 A1113	I1077-S1109 WeakPolarHBondContact CD1-OG 3.12Å; S1106-S1109 PolarHBondContact O-N 3.06Å; S1106-S1109 VanDerWaalsContact O-N 3.09Å; S1106-S1109 VanDerWaalsContact OG-CB 3.31Å; S1106-S1109 WeakPolarHBondContact OG-CB 3.46Å; P1107-S1109 VanDerWaalsContact C-N 3.31Å; P1107-S1109 PolarHBondContact O-N 3.02Å; S1109-N1112 PolarHBondContact O-N 2.94Å; S1109-A1113 WeakPolarHBondContact O-CB 3.31Å; S1109-A1113 PolarHBondContact O-N 3.46Å
1110	C	78.9	Confident	75.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-49.1	166.2	-66.6	0	0	0	0	112.3	L1098 P1105 S1106 P1107 N1112 A1113 I1114	L1098-C1110 HydrophobicContact CD1-CB 4.4Å; P1105-C1110 WeakPolarHBondContact CG-SG 3.4Å; S1106-C1110 PolarHBondContact O-N 2.97Å; S1106-C1110 VanDerWaalsContact O-N 3.12Å; P1107-C1110 WeakPolarHBondContact O-CB 3.25Å; P1107-C1110 PolarHBondContact O-N 3.17Å; C1110-N1112 VanDerWaalsContact C-N 3.33Å; C1110-N1112 PolarHBondContact O-N 3.39Å; C1110-A1113 PolarHBondContact O-N 2.84Å; C1110-I1114 HydrophobicContact CB-CD1 4.49Å; C1110-I1114 WeakPolarHBondContact O-CB 3.28Å; C1110-I1114 WeakPolarHBondContact O-CD1 3.21Å; C1110-I1114 WeakPolarHBondContact O-CG1 3.46Å; C1110-I1114 PolarHBondContact O-N 2.98Å
1111	E	81.7	Confident	76.1	Confident	100 Å²	100	39.1 Å²	39.1	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-54.7	-49	176.6	-72	167.1	-172.7	0	0	111.2	P1107 K1108 A1113 I1114 E1115	P1107-E1111 WeakPolarHBondContact O-CG 3.41Å; P1107-E1111 PolarHBondContact O-N 2.92Å; K1108-E1111 WeakPolarHBondContact CD-OE2 3.44Å; K1108-E1111 WeakPolarHBondContact CE-OE2 3.39Å; K1108-E1111 IonicContact NZ-OE2 2.66Å; K1108-E1111 PolarHBondContact NZ-OE2 3.27Å; K1108-E1111 PolarHBondContact O-N 2.68Å; E1111-A1113 PolarHBondContact O-N 2.69Å; E1111-I1114 PolarHBondContact O-N 2.86Å; E1111-E1115 WeakPolarHBondContact O-CB 3.3Å; E1111-E1115 PolarHBondContact O-N 3.26Å
1112	N	77.2	Confident	76.9	Confident	43 Å²	43	38.4 Å²	38.4	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-43.4	179.1	-66.6	0.6	0	0	0	112.2	Q1023 K1108 S1109 C1110 T1116	Q1023-N1112 PolarHBondContact OE1-ND2 3.32Å; K1108-N1112 WeakPolarHBondContact CE-OD1 3.21Å; K1108-N1112 PolarHBondContact NZ-OD1 2.94Å; K1108-N1112 PolarHBondContact O-N 2.98Å; K1108-N1112 VanDerWaalsContact O-N 3.08Å; K1108-N1112 PolarHBondContact O-OD1 2.85Å; K1108-N1112 VanDerWaalsContact O-OD1 3.07Å; S1109-N1112 PolarHBondContact O-N 2.94Å; C1110-N1112 VanDerWaalsContact C-N 3.33Å; C1110-N1112 PolarHBondContact O-N 3.39Å; N1112-T1116 VanDerWaalsContact O-CB 3.3Å; N1112-T1116 WeakPolarHBondContact O-CB 3.47Å; N1112-T1116 PolarHBondContact O-N 3.14Å; N1112-T1116 PolarHBondContact O-OG1 3.15Å
1113	A	81.9	Confident	78.1	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-42.4	179.4	0	0	0	0	0	111.9	I1077 E1078 S1109 C1110 E1111 T1116 L1117	I1077-A1113 HydrophobicContact CB-CB 3.8Å; I1077-A1113 HydrophobicContact CG2-CB 3.68Å; E1078-A1113 HydrophobicContact CG-CB 4.11Å; S1109-A1113 WeakPolarHBondContact O-CB 3.31Å; S1109-A1113 PolarHBondContact O-N 3.46Å; C1110-A1113 PolarHBondContact O-N 2.84Å; E1111-A1113 PolarHBondContact O-N 2.69Å; A1113-T1116 PolarHBondContact O-N 2.82Å; A1113-L1117 WeakPolarHBondContact O-CB 3.36Å; A1113-L1117 VanDerWaalsContact O-CG 3.23Å; A1113-L1117 WeakPolarHBondContact O-CG 3.47Å; A1113-L1117 PolarHBondContact O-N 2.99Å
1114	I	86.9	Confident	79	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-41	176.7	-66.5	165.1	0	0	0	110.8	L1094 C1110 E1111 L1117 K1118 E1127	L1094-I1114 HydrophobicContact CB-CD1 3.61Å; L1094-I1114 HydrophobicContact CB-CG1 4.23Å; L1094-I1114 HydrophobicContact CD1-CD1 4.16Å; L1094-I1114 HydrophobicContact CD1-CG1 3.83Å; C1110-I1114 HydrophobicContact CB-CD1 4.49Å; C1110-I1114 WeakPolarHBondContact O-CB 3.28Å; C1110-I1114 WeakPolarHBondContact O-CD1 3.21Å; C1110-I1114 WeakPolarHBondContact O-CG1 3.46Å; C1110-I1114 PolarHBondContact O-N 2.98Å; E1111-I1114 PolarHBondContact O-N 2.86Å; I1114-L1117 PolarHBondContact O-N 3.5Å; I1114-K1118 HydrophobicContact CG2-CD 4.19Å; I1114-K1118 VanDerWaalsContact CG2-CE 3.5Å; I1114-K1118 VanDerWaalsContact O-CG 3.29Å; I1114-K1118 WeakPolarHBondContact O-CG 3.4Å; I1114-K1118 PolarHBondContact O-N 3.15Å; I1114-K1118 VanDerWaalsContact O-N 3.11Å; I1114-E1127 HydrophobicContact CG2-CG 4.08Å
1115	E	82.7	Confident	79.7	Confident	100 Å²	100	38.9 Å²	38.9	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-64.7	-47.8	175.1	-171.1	161.7	-143.9	0	0	111.1	E1111 L1117 K1118 E1119 H1588	E1111-E1115 WeakPolarHBondContact O-CB 3.3Å; E1111-E1115 PolarHBondContact O-N 3.26Å; E1115-L1117 VanDerWaalsContact C-N 3.32Å; E1115-L1117 PolarHBondContact O-N 2.91Å; E1115-K1118 WeakPolarHBondContact O-CA 3.34Å; E1115-K1118 WeakPolarHBondContact O-CB 3.45Å; E1115-K1118 PolarHBondContact O-N 3.43Å; E1115-E1119 PolarHBondContact O-N 3.09Å; E1115-H1588 IonicContact OE1-CE1 3.59Å
1116	T	81	Confident	80.2	Confident	25 Å²	25	44.6 Å²	44.6	15%	0.153	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-43.9	174.4	-62.5	0	0	0	0	112.2	E1078 N1112 A1113 K1118 E1119 M1120 R1144	E1078-T1116 HydrophobicContact CG-CG2 4.35Å; N1112-T1116 VanDerWaalsContact O-CB 3.3Å; N1112-T1116 WeakPolarHBondContact O-CB 3.47Å; N1112-T1116 PolarHBondContact O-N 3.14Å; N1112-T1116 PolarHBondContact O-OG1 3.15Å; A1113-T1116 PolarHBondContact O-N 2.82Å; T1116-K1118 VanDerWaalsContact C-N 3.3Å; T1116-K1118 PolarHBondContact O-N 3.34Å; T1116-E1119 PolarHBondContact O-N 2.86Å; T1116-M1120 HydrophobicContact CG2-SD 4.04Å; T1116-M1120 WeakPolarHBondContact O-CB 3.38Å; T1116-M1120 VanDerWaalsContact O-CG 3.26Å; T1116-M1120 WeakPolarHBondContact O-CG 3.46Å; T1116-M1120 PolarHBondContact O-N 3.16Å; T1116-R1144 VanDerWaalsContact CG2-NH2 3.28Å
1117	L	87.1	Confident	80.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-30	177.3	-73.3	176.7	0	0	0	113.2	E1078 C1081 I1082 A1113 I1114 E1115 V1122 L1123	E1078-L1117 HydrophobicContact CB-CD1 4.39Å; E1078-L1117 HydrophobicContact CB-CD2 3.88Å; E1078-L1117 HydrophobicContact CB-CG 4.11Å; E1078-L1117 HydrophobicContact CG-CD2 4.21Å; E1078-L1117 HydrophobicContact CG-CG 4.13Å; C1081-L1117 HydrophobicContact CB-CD1 3.52Å; I1082-L1117 HydrophobicContact CD1-CD2 3.84Å; I1082-L1117 HydrophobicContact CG1-CD1 4.01Å; I1082-L1117 HydrophobicContact CG1-CD2 3.98Å; A1113-L1117 WeakPolarHBondContact O-CB 3.36Å; A1113-L1117 VanDerWaalsContact O-CG 3.23Å; A1113-L1117 WeakPolarHBondContact O-CG 3.47Å; A1113-L1117 PolarHBondContact O-N 2.99Å; I1114-L1117 PolarHBondContact O-N 3.5Å; E1115-L1117 VanDerWaalsContact C-N 3.32Å; E1115-L1117 PolarHBondContact O-N 2.91Å; L1117-V1122 HydrophobicContact CB-CB 4.32Å; L1117-V1122 HydrophobicContact CD2-CB 3.85Å; L1117-V1122 HydrophobicContact CD2-CG1 3.74Å; L1117-V1122 HydrophobicContact CD2-CG2 4.14Å; L1117-V1122 WeakPolarHBondContact O-CB 3.29Å; L1117-V1122 PolarHBondContact O-N 2.9Å; L1117-L1123 HydrophobicContact CB-CB 4.42Å; L1117-L1123 HydrophobicContact CB-CD1 3.87Å; L1117-L1123 HydrophobicContact CB-CG 3.87Å; L1117-L1123 HydrophobicContact CD1-CD1 3.82Å; L1117-L1123 HydrophobicContact CD1-CG 4.21Å; L1117-L1123 PolarHBondContact O-N 2.96Å; L1117-L1123 VanDerWaalsContact O-N 3.12Å
1118	K	85.3	Confident	81.1	Confident	65 Å²	65	41.9 Å²	41.9	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-73.8	-43.5	173.3	-70.8	168.2	-175.3	171.1	0	111.2	I1114 E1115 T1116 M1120 D1121 L1123 E1127	I1114-K1118 HydrophobicContact CG2-CD 4.19Å; I1114-K1118 VanDerWaalsContact CG2-CE 3.5Å; I1114-K1118 VanDerWaalsContact O-CG 3.29Å; I1114-K1118 WeakPolarHBondContact O-CG 3.4Å; I1114-K1118 PolarHBondContact O-N 3.15Å; I1114-K1118 VanDerWaalsContact O-N 3.11Å; E1115-K1118 WeakPolarHBondContact O-CA 3.34Å; E1115-K1118 WeakPolarHBondContact O-CB 3.45Å; E1115-K1118 PolarHBondContact O-N 3.43Å; T1116-K1118 VanDerWaalsContact C-N 3.3Å; T1116-K1118 PolarHBondContact O-N 3.34Å; K1118-M1120 PolarHBondContact O-N 3.16Å; K1118-D1121 PolarHBondContact O-N 3.33Å; K1118-D1121 VanDerWaalsContact O-N 3.12Å; K1118-L1123 HydrophobicContact CG-CB 4.07Å; K1118-E1127 IonicContact NZ-OE1 3.85Å; K1118-E1127 PolarHBondContact NZ-OE1 3.32Å
1119	E	79.8	Confident	81.4	Confident	53 Å²	53	37 Å²	37	25%	0.248	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-37.8	171.9	-69.6	-173.3	154.9	0	0	112.3	E1115 T1116 D1121	E1115-E1119 PolarHBondContact O-N 3.09Å; T1116-E1119 PolarHBondContact O-N 2.86Å; E1119-D1121 VanDerWaalsContact C-N 3.28Å; E1119-D1121 PolarHBondContact O-N 2.86Å
1120	M	83.3	Confident	82.1	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.6	-179.5	-72.6	179.7	61.2	0	0	114.7	T1116 K1118 V1122 P1143 R1144 K1147	T1116-M1120 HydrophobicContact CG2-SD 4.04Å; T1116-M1120 WeakPolarHBondContact O-CB 3.38Å; T1116-M1120 VanDerWaalsContact O-CG 3.26Å; T1116-M1120 WeakPolarHBondContact O-CG 3.46Å; T1116-M1120 PolarHBondContact O-N 3.16Å; K1118-M1120 PolarHBondContact O-N 3.16Å; M1120-V1122 VanDerWaalsContact C-N 3.29Å; M1120-V1122 HydrophobicContact CB-CG2 3.95Å; M1120-V1122 HydrophobicContact CE-CG2 4.4Å; M1120-P1143 HydrophobicContact CE-CB 3.81Å; M1120-R1144 HydrophobicContact CE-CB 4.38Å; M1120-R1144 HydrophobicContact CE-CG 3.83Å; M1120-R1144 HydrophobicContact SD-CG 3.86Å; M1120-K1147 HydrophobicContact CE-CD 4.4Å; M1120-K1147 PolarHBondContact O-NZ 3Å
1121	D	84.5	Confident	82.2	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.032	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	34.8	-167.1	-164	50.1	0	0	0	112.8	K1118 E1119 T1130 S1384 I1385 R1386	K1118-D1121 PolarHBondContact O-N 3.33Å; K1118-D1121 VanDerWaalsContact O-N 3.12Å; E1119-D1121 VanDerWaalsContact C-N 3.28Å; E1119-D1121 PolarHBondContact O-N 2.86Å; D1121-T1130 WeakPolarHBondContact O-CB 3.32Å; D1121-T1130 VanDerWaalsContact O-CG2 3.22Å; D1121-T1130 WeakPolarHBondContact O-CG2 3.42Å; D1121-T1130 PolarHBondContact O-OG1 3.43Å; D1121-S1384 WeakPolarHBondContact CB-OG 3.23Å; D1121-S1384 PolarHBondContact OD1-OG 2.97Å; D1121-I1385 WeakPolarHBondContact OD2-CB 3.24Å; D1121-R1386 IonicContact OD1-NE 2.72Å; D1121-R1386 PolarHBondContact OD1-NE 3.47Å
1122	V	87.3	Confident	82.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-86.6	-44.1	170.1	172.9	0	0	0	0	110.6	I1082 L1117 M1120 L1129 T1130 I1136	I1082-V1122 HydrophobicContact CD1-CG1 3.89Å; I1082-V1122 HydrophobicContact CG1-CG1 3.8Å; L1117-V1122 HydrophobicContact CB-CB 4.32Å; L1117-V1122 HydrophobicContact CD2-CB 3.85Å; L1117-V1122 HydrophobicContact CD2-CG1 3.74Å; L1117-V1122 HydrophobicContact CD2-CG2 4.14Å; L1117-V1122 WeakPolarHBondContact O-CB 3.29Å; L1117-V1122 PolarHBondContact O-N 2.9Å; M1120-V1122 VanDerWaalsContact C-N 3.29Å; M1120-V1122 HydrophobicContact CB-CG2 3.95Å; M1120-V1122 HydrophobicContact CE-CG2 4.4Å; V1122-L1129 HydrophobicContact CG1-CD2 4.3Å; V1122-T1130 WeakPolarHBondContact O-CG2 3.49Å; V1122-T1130 PolarHBondContact O-N 3.26Å; V1122-I1136 HydrophobicContact CG2-CD1 3.85Å
1123	L	86.3	Confident	82.7	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-109.1	153.9	167.4	-56	-179.9	0	0	0	109	R1085 L1094 L1117 K1118 E1127 E1128 L1129	R1085-L1123 HydrophobicContact CB-CD2 4.34Å; R1085-L1123 HydrophobicContact CG-CD2 4.14Å; L1094-L1123 HydrophobicContact CD1-CD1 3.68Å; L1117-L1123 HydrophobicContact CB-CB 4.42Å; L1117-L1123 HydrophobicContact CB-CD1 3.87Å; L1117-L1123 HydrophobicContact CB-CG 3.87Å; L1117-L1123 HydrophobicContact CD1-CD1 3.82Å; L1117-L1123 HydrophobicContact CD1-CG 4.21Å; L1117-L1123 PolarHBondContact O-N 2.96Å; L1117-L1123 VanDerWaalsContact O-N 3.12Å; K1118-L1123 HydrophobicContact CG-CB 4.07Å; L1123-E1127 WeakPolarHBondContact CD2-O 3.39Å; L1123-E1128 CarbonylContact C-O 3.58Å; L1123-E1128 VanDerWaalsContact CA-O 3.31Å; L1123-E1128 WeakPolarHBondContact CA-O 3.39Å; L1123-L1129 HydrophobicContact CD2-CD2 3.61Å; L1123-L1129 HydrophobicContact CD2-CG 3.75Å
1124	D	80.4	Confident	82.6	Confident	27 Å²	27	32.4 Å²	32.4	14%	0.144	16%	0.158	C	C	.	.			trans	-98.3	-173.2	169.3	71.3	31.5	0	0	0	112.9	F1126 E1127 E1128 T1130 R1386	D1124-F1126 PolarHBondContact O-N 2.78Å; D1124-F1126 VanDerWaalsContact O-N 3.16Å; D1124-F1126 PolarHBondContact OD1-N 3.42Å; D1124-E1127 WeakPolarHBondContact O-CA 3.42Å; D1124-E1127 PolarHBondContact O-N 3.34Å; D1124-E1128 PolarHBondContact N-O 2.75Å; D1124-E1128 PolarHBondContact OD1-N 3.46Å; D1124-T1130 HydrophobicContact CB-CG2 4.41Å; D1124-R1386 IonicContact OD2-NH2 2.69Å
1125	T	79.4	Confident	82.4	Confident	106 Å²	106	32.7 Å²	32.7	65%	0.65	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.1	-177	46	0	0	0	0	113.9	E1127	T1125-E1127 VanDerWaalsContact C-N 3.33Å
1126	F	78.2	Confident	82.4	Confident	134 Å²	134	28.2 Å²	28.2	59%	0.588	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	12.2	177.6	-54.3	-76.5	0	0	0	112.5	D1124 E1128	D1124-F1126 PolarHBondContact O-N 2.78Å; D1124-F1126 VanDerWaalsContact O-N 3.16Å; D1124-F1126 PolarHBondContact OD1-N 3.42Å; F1126-E1128 PolarHBondContact O-N 3.4Å
1127	E	81	Confident	82.1	Confident	35 Å²	35	27.6 Å²	27.6	16%	0.164	14%	0.135	C	C	.	.	S	Bend	trans	66	10.3	-169.3	-70.1	168.4	-164.3	0	0	114.1	R1085 L1094 I1114 K1118 L1123 D1124 T1125	R1085-E1127 WeakPolarHBondContact CD-O 3.16Å; R1085-E1127 WeakPolarHBondContact CG-O 3.42Å; R1085-E1127 PolarHBondContact NE-O 2.99Å; L1094-E1127 PolarHBondContact N-OE2 2.95Å; I1114-E1127 HydrophobicContact CG2-CG 4.08Å; K1118-E1127 IonicContact NZ-OE1 3.85Å; K1118-E1127 PolarHBondContact NZ-OE1 3.32Å; L1123-E1127 WeakPolarHBondContact CD2-O 3.39Å; D1124-E1127 WeakPolarHBondContact O-CA 3.42Å; D1124-E1127 PolarHBondContact O-N 3.34Å; T1125-E1127 VanDerWaalsContact C-N 3.33Å
1128	E	78.5	Confident	81.1	Confident	45 Å²	45	28 Å²	28	21%	0.21	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-82.2	146	-178.3	-73.8	-70.9	-156.3	0	0	113.9	R1085 S1090 L1123 D1124 F1126 T1130	R1085-E1128 IonicContact CZ-OE1 3.18Å; R1085-E1128 IonicContact CZ-OE2 3.7Å; R1085-E1128 VanDerWaalsContact CZ-OE2 3.27Å; R1085-E1128 IonicContact NE-OE1 3.79Å; R1085-E1128 IonicContact NE-OE2 2.71Å; R1085-E1128 PolarHBondContact NE-OE2 3.47Å; R1085-E1128 IonicContact NH2-OE1 2.77Å; R1085-E1128 PolarHBondContact NH2-OE1 2.91Å; R1085-E1128 IonicContact NH2-OE2 3.59Å; R1085-E1128 PolarHBondContact NH2-OE2 2.63Å; S1090-E1128 WeakPolarHBondContact CA-OE1 3.31Å; S1090-E1128 WeakPolarHBondContact CB-OE1 3.33Å; S1090-E1128 PolarHBondContact OG-OE1 3.26Å; L1123-E1128 CarbonylContact C-O 3.58Å; L1123-E1128 VanDerWaalsContact CA-O 3.31Å; L1123-E1128 WeakPolarHBondContact CA-O 3.39Å; D1124-E1128 PolarHBondContact N-O 2.75Å; D1124-E1128 PolarHBondContact OD1-N 3.46Å; F1126-E1128 PolarHBondContact O-N 3.4Å; E1128-T1130 PolarHBondContact O-N 3.29Å
1129	L	79.5	Confident	80.6	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.047	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-71.9	128	-176.7	-78.3	153.1	0	0	0	112.2	I1082 R1085 L1086 V1122 L1123 Y1134	I1082-L1129 HydrophobicContact CG2-CD2 4.46Å; R1085-L1129 HydrophobicContact CB-CD1 4.25Å; R1085-L1129 HydrophobicContact CG-CD1 4.05Å; R1085-L1129 HydrophobicContact CG-CG 4.12Å; L1086-L1129 HydrophobicContact CB-CD1 4.21Å; L1086-L1129 HydrophobicContact CD2-CD1 3.41Å; L1086-L1129 VanDerWaalsContact CD2-CD1 3.41Å; L1086-L1129 HydrophobicContact CG-CD1 3.55Å; V1122-L1129 HydrophobicContact CG1-CD2 4.3Å; L1123-L1129 HydrophobicContact CD2-CD2 3.61Å; L1123-L1129 HydrophobicContact CD2-CG 3.75Å; L1129-Y1134 HydrophobicContact CB-CD2 4.31Å; L1129-Y1134 HydrophobicContact CB-CE1 4.2Å; L1129-Y1134 HydrophobicContact CB-CE2 3.89Å; L1129-Y1134 HydrophobicContact CD1-CE1 4.39Å; L1129-Y1134 VanDerWaalsContact O-CE2 3.27Å; L1129-Y1134 WeakPolarHBondContact O-CE2 3.41Å
1130	T	84.1	Confident	80.1	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.018	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-80.1	170.1	178.5	80.6	0	0	0	0	111.6	D1121 V1122 D1124 E1128 L1132 G1133 Y1134	D1121-T1130 WeakPolarHBondContact O-CB 3.32Å; D1121-T1130 VanDerWaalsContact O-CG2 3.22Å; D1121-T1130 WeakPolarHBondContact O-CG2 3.42Å; D1121-T1130 PolarHBondContact O-OG1 3.43Å; V1122-T1130 WeakPolarHBondContact O-CG2 3.49Å; V1122-T1130 PolarHBondContact O-N 3.26Å; D1124-T1130 HydrophobicContact CB-CG2 4.41Å; E1128-T1130 PolarHBondContact O-N 3.29Å; T1130-L1132 PolarHBondContact O-N 3.44Å; T1130-L1132 WeakPolarHBondContact OG1-CB 3.39Å; T1130-L1132 PolarHBondContact OG1-N 2.9Å; T1130-L1132 VanDerWaalsContact OG1-N 3.12Å; T1130-G1133 PolarHBondContact O-N 3.02Å; T1130-G1133 VanDerWaalsContact O-N 3.09Å; T1130-G1133 PolarHBondContact OG1-N 3.4Å; T1130-Y1134 WeakPolarHBondContact O-CD2 3.41Å; T1130-Y1134 PolarHBondContact O-N 2.94Å
1131	E	79.7	Confident	79.8	Confident	15 Å²	15	24.5 Å²	24.5	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-57.7	-34	169.8	-62.5	-70.6	128.7	0	0	111.7	R181 R184 H1135 K1619	R181-E1131 IonicContact CZ-OE1 2.83Å; R181-E1131 IonicContact NE-OE1 2.71Å; R181-E1131 PolarHBondContact NE-OE1 3.48Å; R181-E1131 IonicContact NH2-OE1 2.7Å; R181-E1131 PolarHBondContact NH2-OE1 3.5Å; R184-E1131 IonicContact CZ-OE2 3.17Å; R184-E1131 IonicContact NH1-OE2 2.73Å; R184-E1131 PolarHBondContact NH1-OE2 3.01Å; R184-E1131 IonicContact NH2-OE2 2.65Å; R184-E1131 PolarHBondContact NH2-OE2 3.41Å; R184-E1131 VanDerWaalsContact NH2-OE2 3.13Å; E1131-H1135 PolarHBondContact O-CD2 2.94Å; E1131-K1619 HydrophobicContact CG-CG 3.89Å
1132	L	86.7	Confident	79.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-67.2	-46.3	173.4	175.8	67.1	0	0	0	110.4	T1130 Y1134 H1135 I1136 K1147 L1150 I1385 L1618	T1130-L1132 PolarHBondContact O-N 3.44Å; T1130-L1132 WeakPolarHBondContact OG1-CB 3.39Å; T1130-L1132 PolarHBondContact OG1-N 2.9Å; T1130-L1132 VanDerWaalsContact OG1-N 3.12Å; L1132-Y1134 PolarHBondContact O-N 3.22Å; L1132-H1135 PolarHBondContact O-N 3.37Å; L1132-H1135 VanDerWaalsContact O-N 3.11Å; L1132-I1136 HydrophobicContact CD1-CD1 3.84Å; L1132-I1136 HydrophobicContact CD1-CG1 4.11Å; L1132-I1136 HydrophobicContact CD2-CD1 4.13Å; L1132-I1136 HydrophobicContact CG-CD1 3.72Å; L1132-I1136 HydrophobicContact CG-CG1 4.28Å; L1132-I1136 PolarHBondContact O-N 3.43Å; L1132-K1147 HydrophobicContact CD2-CD 4.08Å; L1132-K1147 HydrophobicContact CD2-CG 4.2Å; L1132-L1150 HydrophobicContact CD1-CD1 3.8Å; L1132-I1385 HydrophobicContact CB-CD1 4.48Å; L1132-I1385 HydrophobicContact CD2-CD1 3.89Å; L1132-L1618 HydrophobicContact CB-CD1 4.23Å; L1132-L1618 HydrophobicContact CD1-CD1 4.14Å; L1132-L1618 HydrophobicContact CD1-CD2 4.5Å
1133	G	84.2	Confident	79.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.2	-51	177.9	0	0	0	0	0	112.2	T1130 H1135 I1136 C1137	T1130-G1133 PolarHBondContact O-N 3.02Å; T1130-G1133 VanDerWaalsContact O-N 3.09Å; T1130-G1133 PolarHBondContact OG1-N 3.4Å; G1133-H1135 PolarHBondContact O-N 2.98Å; G1133-H1135 VanDerWaalsContact O-N 3.11Å; G1133-I1136 PolarHBondContact O-N 3.41Å; G1133-I1136 VanDerWaalsContact O-N 3.09Å; G1133-C1137 PolarHBondContact O-N 3.12Å; G1133-C1137 PolarHBondContact O-SG 3.44Å
1134	Y	78.8	Confident	79.6	Confident	41 Å²	41	28.6 Å²	28.6	16%	0.161	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-26.9	177.5	-76.3	-64.3	0	0	0	114.8	K379 L1086 L1129 T1130 L1132	K379-Y1134 HydrophobicContact CD-CD1 4.04Å; K379-Y1134 PolarHBondContact NZ-O 3.24Å; L1086-Y1134 HydrophobicContact CD2-CD1 4.23Å; L1086-Y1134 HydrophobicContact CD2-CE1 4.04Å; L1129-Y1134 HydrophobicContact CB-CD2 4.31Å; L1129-Y1134 HydrophobicContact CB-CE1 4.2Å; L1129-Y1134 HydrophobicContact CB-CE2 3.89Å; L1129-Y1134 HydrophobicContact CD1-CE1 4.39Å; L1129-Y1134 VanDerWaalsContact O-CE2 3.27Å; L1129-Y1134 WeakPolarHBondContact O-CE2 3.41Å; T1130-Y1134 WeakPolarHBondContact O-CD2 3.41Å; T1130-Y1134 PolarHBondContact O-N 2.94Å; L1132-Y1134 PolarHBondContact O-N 3.22Å
1135	H	82.1	Confident	80.2	Confident	18 Å²	18	28.8 Å²	28.8	8%	0.083	14%	0.144	C	C	.	.	H	α-helix	trans	-86.1	-37.7	174.4	-73.7	-57.6	0	0	0	112.8	E1131 L1132 G1133 C1137 D1138 M1139 L1150 F1253 L1618	E1131-H1135 PolarHBondContact O-CD2 2.94Å; L1132-H1135 PolarHBondContact O-N 3.37Å; L1132-H1135 VanDerWaalsContact O-N 3.11Å; G1133-H1135 PolarHBondContact O-N 2.98Å; G1133-H1135 VanDerWaalsContact O-N 3.11Å; H1135-C1137 VanDerWaalsContact C-N 3.25Å; H1135-C1137 PolarHBondContact O-N 3.28Å; H1135-D1138 PolarHBondContact O-N 3.06Å; H1135-M1139 WeakPolarHBondContact O-CG 3.37Å; H1135-L1150 HydrophobicContact CB-CD1 3.76Å; H1135-L1150 HydrophobicContact CB-CD2 4.31Å; H1135-F1253 HydrophobicContact CB-CE2 4.42Å; H1135-F1253 HydrophobicContact CB-CZ 4.31Å; H1135-F1253 AromaticContact CD2-CZ 3.87Å; H1135-F1253 AromaticContact CE1-CE2 3.88Å; H1135-F1253 AromaticContact CE1-CZ 3.65Å; H1135-F1253 AromaticContact CG-CE2 3.97Å; H1135-F1253 AromaticContact CG-CZ 3.69Å; H1135-F1253 AromaticContact ND1-CE2 3.5Å; H1135-F1253 AromaticContact ND1-CZ 3.56Å; H1135-F1253 AromaticContact NE2-CZ 3.84Å; H1135-L1618 PolarHBondContact NE2-O 3.14Å
1136	I	84.5	Confident	80.7	Confident	6 Å²	6	23.7 Å²	23.7	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-37.6	173.2	-75.5	-179.7	0	0	0	110.5	I1082 V1122 L1132 G1133 D1138 M1139 P1143 A1146 K1147 L1150	I1082-I1136 HydrophobicContact CD1-CG2 4.23Å; V1122-I1136 HydrophobicContact CG2-CD1 3.85Å; L1132-I1136 HydrophobicContact CD1-CD1 3.84Å; L1132-I1136 HydrophobicContact CD1-CG1 4.11Å; L1132-I1136 HydrophobicContact CD2-CD1 4.13Å; L1132-I1136 HydrophobicContact CG-CD1 3.72Å; L1132-I1136 HydrophobicContact CG-CG1 4.28Å; L1132-I1136 PolarHBondContact O-N 3.43Å; G1133-I1136 PolarHBondContact O-N 3.41Å; G1133-I1136 VanDerWaalsContact O-N 3.09Å; I1136-D1138 VanDerWaalsContact C-N 3.26Å; I1136-D1138 PolarHBondContact O-N 3.45Å; I1136-M1139 PolarHBondContact O-N 3.31Å; I1136-P1143 HydrophobicContact CG2-CB 3.91Å; I1136-P1143 HydrophobicContact CG2-CG 4.31Å; I1136-A1146 HydrophobicContact CB-CB 4.24Å; I1136-A1146 HydrophobicContact CD1-CB 4.49Å; I1136-A1146 HydrophobicContact CG1-CB 3.85Å; I1136-A1146 HydrophobicContact CG2-CB 3.97Å; I1136-K1147 HydrophobicContact CD1-CB 3.85Å; I1136-L1150 HydrophobicContact CG1-CD1 3.74Å
1137	C	72.9	Confident	81.4	Confident	13 Å²	13	17.4 Å²	17.4	9%	0.088	9%	0.086	C	C	.	.	H	α-helix	trans	-47.6	-50.9	168.5	-58.7	0	0	0	0	111.1	C382 I1082 L1086 G1133 H1135 M1139	C382-C1137 WeakPolarHBondContact CB-O 3.31Å; I1082-C1137 HydrophobicContact CG2-CB 4.41Å; I1082-C1137 WeakPolarHBondContact CG2-SG 3.26Å; L1086-C1137 HydrophobicContact CD1-CB 4.34Å; G1133-C1137 PolarHBondContact O-N 3.12Å; G1133-C1137 PolarHBondContact O-SG 3.44Å; H1135-C1137 VanDerWaalsContact C-N 3.25Å; H1135-C1137 PolarHBondContact O-N 3.28Å; C1137-M1139 PolarHBondContact O-N 2.93Å
1138	D	68	Low	82.1	Confident	8 Å²	8	15.8 Å²	15.8	4%	0.043	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-0.9	-171.6	-99.6	-37.3	0	0	0	115.6	R305 K379 S380 H1135 I1136 Q1247	R305-D1138 IonicContact CZ-OD1 2.79Å; R305-D1138 IonicContact NH1-OD1 2.51Å; R305-D1138 PolarHBondContact NH2-O 2.96Å; R305-D1138 IonicContact NH2-OD1 2.71Å; R305-D1138 PolarHBondContact NH2-OD1 2.78Å; K379-D1138 IonicContact NZ-OD2 3.51Å; K379-D1138 PolarHBondContact NZ-OD2 2.97Å; S380-D1138 VanDerWaalsContact O-OD2 3.04Å; S380-D1138 PolarHBondContact OG-OD2 3.35Å; H1135-D1138 PolarHBondContact O-N 3.06Å; I1136-D1138 VanDerWaalsContact C-N 3.26Å; I1136-D1138 PolarHBondContact O-N 3.45Å; D1138-Q1247 VanDerWaalsContact O-CD 3.22Å; D1138-Q1247 WeakPolarHBondContact O-CG 3.31Å; D1138-Q1247 PolarHBondContact O-NE2 3.09Å
1139	M	73	Confident	82.8	Confident	10 Å²	10	13.7 Å²	13.7	5%	0.049	7%	0.068	C	C	.	.			trans	-104	127.2	-174	-65	-72.3	-85	0	0	111.7	H1135 I1136 C1137 I1141 A1146 V1149 L1244 Q1247 L1248	H1135-M1139 WeakPolarHBondContact O-CG 3.37Å; I1136-M1139 PolarHBondContact O-N 3.31Å; C1137-M1139 PolarHBondContact O-N 2.93Å; M1139-I1141 HydrophobicContact CB-CG1 4.24Å; M1139-I1141 HydrophobicContact CE-CD1 4.35Å; M1139-I1141 PolarHBondContact O-N 3.05Å; M1139-A1146 HydrophobicContact CB-CB 3.88Å; M1139-A1146 HydrophobicContact CG-CB 4.23Å; M1139-V1149 HydrophobicContact CE-CB 3.92Å; M1139-V1149 HydrophobicContact CE-CG1 3.56Å; M1139-L1244 HydrophobicContact CE-CD1 3.62Å; M1139-L1244 HydrophobicContact CE-CG 4.4Å; M1139-L1244 HydrophobicContact SD-CD1 4.02Å; M1139-Q1247 HydrophobicContact SD-CG 4.39Å; M1139-L1248 HydrophobicContact CE-CD2 3.8Å; M1139-L1248 HydrophobicContact CE-CG 4.28Å; M1139-L1248 HydrophobicContact SD-CD2 3.87Å; M1139-L1248 HydrophobicContact SD-CG 4.37Å
1140	P	70.6	Confident	83.5	Confident	32 Å²	32	13.3 Å²	13.3	21%	0.208	7%	0.066	C	C	.	.	S	Bend	trans	-83.6	50.4	178.8	36.1	-38.3	0	0	0	112.3	D384 Q1243 L1244	D384-P1140 HydrophobicContact CB-CB 3.86Å; P1140-Q1243 HydrophobicContact CG-CG 4.46Å; P1140-L1244 HydrophobicContact CG-CD1 4.16Å
1141	I	75.7	Confident	84	Confident	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.066	C	C	.	.	S	Bend	trans	-150.4	152.4	176.1	58	175.7	0	0	0	109.6	M1139 A1146 V1149 A1165 T1169 L1244	M1139-I1141 HydrophobicContact CB-CG1 4.24Å; M1139-I1141 HydrophobicContact CE-CD1 4.35Å; M1139-I1141 PolarHBondContact O-N 3.05Å; I1141-A1146 HydrophobicContact CD1-CB 4.46Å; I1141-A1146 HydrophobicContact CG1-CB 4.08Å; I1141-V1149 HydrophobicContact CD1-CG2 3.95Å; I1141-A1165 HydrophobicContact CD1-CB 4.35Å; I1141-T1169 HydrophobicContact CB-CG2 4.37Å; I1141-T1169 HydrophobicContact CG2-CG2 4.03Å; I1141-L1244 HydrophobicContact CD1-CD1 4.13Å; I1141-L1244 HydrophobicContact CD1-CD2 3.81Å; I1141-L1244 HydrophobicContact CG1-CD1 4.28Å; I1141-L1244 HydrophobicContact CG2-CD1 4.26Å; I1141-L1244 HydrophobicContact CG2-CD2 4.06Å
1142	P	80.6	Confident	84.7	Confident	38 Å²	38	12.5 Å²	12.5	25%	0.247	6%	0.062	C	C	.	.			trans	-49.2	146	179.9	-32.8	35.1	0	0	0	114.9	R1144 Y1145 A1146	P1142-R1144 VanDerWaalsContact C-N 3.27Å; P1142-R1144 PolarHBondContact O-N 3.24Å; P1142-Y1145 HydrophobicContact CB-CD2 4Å; P1142-Y1145 HydrophobicContact CB-CE2 4.29Å; P1142-Y1145 HydrophobicContact CG-CD2 4.02Å; P1142-Y1145 HydrophobicContact CG-CE2 4.12Å; P1142-Y1145 PolarHBondContact O-N 2.91Å; P1142-A1146 PolarHBondContact O-N 3.47Å
1143	P	85.7	Confident	85	Confident	7 Å²	7	12.6 Å²	12.6	5%	0.045	6%	0.063	C	C	.	.	H	α-helix	trans	-50.9	-37.2	-171.8	-33.2	37.5	0	0	0	115.9	E1078 E1079 I1082 M1120 I1136 A1146 K1147	E1078-P1143 HydrophobicContact CB-CG 4.22Å; E1079-P1143 HydrophobicContact CG-CG 4.26Å; I1082-P1143 HydrophobicContact CD1-CB 4.49Å; I1082-P1143 HydrophobicContact CD1-CG 3.84Å; M1120-P1143 HydrophobicContact CE-CB 3.81Å; I1136-P1143 HydrophobicContact CG2-CB 3.91Å; I1136-P1143 HydrophobicContact CG2-CG 4.31Å; P1143-A1146 PolarHBondContact O-N 3.39Å; P1143-K1147 WeakPolarHBondContact O-CB 3.45Å; P1143-K1147 PolarHBondContact O-N 2.94Å
1144	R	88.6	Confident	85.3	Confident	48 Å²	48	13 Å²	13	18%	0.181	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-44.6	179.4	-67.6	177.4	-178.6	-82.1	3.2	111.4	T1116 M1120 P1142 K1147 M1148 G1282 Y1284	T1116-R1144 VanDerWaalsContact CG2-NH2 3.28Å; M1120-R1144 HydrophobicContact CE-CB 4.38Å; M1120-R1144 HydrophobicContact CE-CG 3.83Å; M1120-R1144 HydrophobicContact SD-CG 3.86Å; P1142-R1144 VanDerWaalsContact C-N 3.27Å; P1142-R1144 PolarHBondContact O-N 3.24Å; R1144-K1147 PolarHBondContact O-N 3Å; R1144-M1148 PolarHBondContact O-N 3.43Å; R1144-G1282 WeakPolarHBondContact CB-O 3.23Å; R1144-G1282 VanDerWaalsContact O-CA 3.29Å; R1144-G1282 WeakPolarHBondContact O-CA 3.5Å; R1144-Y1284 PolarHBondContact NH1-O 3.31Å
1145	Y	92.1	Very high	86	Confident	31 Å²	31	11.1 Å²	11.1	12%	0.122	6%	0.058	C	C	.	.	H	α-helix	trans	-73.7	-33.3	176.3	-48.6	-32.2	0	0	0	111.7	P1142 M1148 V1149 L1168 T1169 M1283 N1337	P1142-Y1145 HydrophobicContact CB-CD2 4Å; P1142-Y1145 HydrophobicContact CB-CE2 4.29Å; P1142-Y1145 HydrophobicContact CG-CD2 4.02Å; P1142-Y1145 HydrophobicContact CG-CE2 4.12Å; P1142-Y1145 PolarHBondContact O-N 2.91Å; Y1145-M1148 WeakPolarHBondContact O-CB 3.5Å; Y1145-M1148 PolarHBondContact O-N 3.46Å; Y1145-V1149 WeakPolarHBondContact O-CG2 3.26Å; Y1145-V1149 PolarHBondContact O-N 2.97Å; Y1145-L1168 HydrophobicContact CE1-CB 3.92Å; Y1145-L1168 HydrophobicContact CE1-CD1 4.14Å; Y1145-L1168 HydrophobicContact CE2-CB 4.06Å; Y1145-L1168 VanDerWaalsContact CE2-O 3.26Å; Y1145-L1168 WeakPolarHBondContact CE2-O 3.44Å; Y1145-L1168 PolarHBondContact OH-O 3.36Å; Y1145-L1168 VanDerWaalsContact OH-O 3.07Å; Y1145-T1169 VanDerWaalsContact CD2-OG1 3.25Å; Y1145-T1169 WeakPolarHBondContact CD2-OG1 3.4Å; Y1145-M1283 HydrophobicContact CE1-CE 4.4Å; Y1145-N1337 PolarHBondContact OH-ND2 3.33Å; Y1145-N1337 PolarHBondContact OH-OD1 3.34Å; Y1145-N1337 VanDerWaalsContact OH-OD1 3.13Å
1146	A	91.2	Very high	86.6	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.1	-45.3	171.8	0	0	0	0	0	111.6	I1136 M1139 I1141 P1142 P1143 V1149 L1150	I1136-A1146 HydrophobicContact CB-CB 4.24Å; I1136-A1146 HydrophobicContact CD1-CB 4.49Å; I1136-A1146 HydrophobicContact CG1-CB 3.85Å; I1136-A1146 HydrophobicContact CG2-CB 3.97Å; M1139-A1146 HydrophobicContact CB-CB 3.88Å; M1139-A1146 HydrophobicContact CG-CB 4.23Å; I1141-A1146 HydrophobicContact CD1-CB 4.46Å; I1141-A1146 HydrophobicContact CG1-CB 4.08Å; P1142-A1146 PolarHBondContact O-N 3.47Å; P1143-A1146 PolarHBondContact O-N 3.39Å; A1146-V1149 PolarHBondContact O-N 2.88Å; A1146-L1150 VanDerWaalsContact O-CG 3.31Å; A1146-L1150 WeakPolarHBondContact O-CG 3.47Å; A1146-L1150 PolarHBondContact O-N 3.18Å
1147	K	93	Very high	87	Confident	2 Å²	2	10.8 Å²	10.8	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-58.8	-47.6	172.3	-171.4	171.6	178.5	177.1	0	111.4	M1120 L1132 I1136 P1143 R1144 V1149 L1150 F1151 A1281	M1120-K1147 HydrophobicContact CE-CD 4.4Å; M1120-K1147 PolarHBondContact O-NZ 3Å; L1132-K1147 HydrophobicContact CD2-CD 4.08Å; L1132-K1147 HydrophobicContact CD2-CG 4.2Å; I1136-K1147 HydrophobicContact CD1-CB 3.85Å; P1143-K1147 WeakPolarHBondContact O-CB 3.45Å; P1143-K1147 PolarHBondContact O-N 2.94Å; R1144-K1147 PolarHBondContact O-N 3Å; K1147-V1149 PolarHBondContact O-N 3.32Å; K1147-L1150 PolarHBondContact O-N 3.42Å; K1147-F1151 HydrophobicContact CD-CE2 4.41Å; K1147-F1151 HydrophobicContact CG-CD2 3.97Å; K1147-F1151 HydrophobicContact CG-CE2 3.78Å; K1147-F1151 VanDerWaalsContact O-CD2 3.31Å; K1147-F1151 WeakPolarHBondContact O-CD2 3.44Å; K1147-F1151 PolarHBondContact O-N 3.4Å; K1147-A1281 VanDerWaalsContact CD-O 3.26Å; K1147-A1281 WeakPolarHBondContact CD-O 3.2Å; K1147-A1281 WeakPolarHBondContact CE-O 3.48Å
1148	M	94.2	Very high	88	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-53.3	-49.3	176.2	-165.3	176.5	59	0	0	112.1	R1144 Y1145 F1151 S1152 I1161 I1164 A1165 A1278 I1279	R1144-M1148 PolarHBondContact O-N 3.43Å; Y1145-M1148 WeakPolarHBondContact O-CB 3.5Å; Y1145-M1148 PolarHBondContact O-N 3.46Å; M1148-F1151 PolarHBondContact O-N 2.84Å; M1148-S1152 PolarHBondContact O-N 3.22Å; M1148-S1152 VanDerWaalsContact O-N 3.12Å; M1148-I1161 HydrophobicContact CB-CG2 4.46Å; M1148-I1161 HydrophobicContact CE-CG2 4.16Å; M1148-I1161 HydrophobicContact CG-CD1 4.14Å; M1148-I1161 HydrophobicContact CG-CG2 3.77Å; M1148-I1161 HydrophobicContact SD-CD1 4.25Å; M1148-I1161 HydrophobicContact SD-CG2 4.44Å; M1148-I1164 HydrophobicContact CE-CG2 4.19Å; M1148-A1165 HydrophobicContact CE-CB 3.64Å; M1148-A1278 WeakPolarHBondContact CG-O 3.12Å; M1148-I1279 HydrophobicContact SD-CB 4.34Å; M1148-I1279 HydrophobicContact SD-CG1 3.97Å
1149	V	94.6	Very high	89.1	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.6	-42.8	179.8	174	0	0	0	0	111.6	M1139 I1141 Y1145 A1146 K1147 F1151 S1152 V1153 L1158 I1161 L1162 A1165 L1248	M1139-V1149 HydrophobicContact CE-CB 3.92Å; M1139-V1149 HydrophobicContact CE-CG1 3.56Å; I1141-V1149 HydrophobicContact CD1-CG2 3.95Å; Y1145-V1149 WeakPolarHBondContact O-CG2 3.26Å; Y1145-V1149 PolarHBondContact O-N 2.97Å; A1146-V1149 PolarHBondContact O-N 2.88Å; K1147-V1149 PolarHBondContact O-N 3.32Å; V1149-F1151 PolarHBondContact O-N 3.41Å; V1149-S1152 PolarHBondContact O-N 3.5Å; V1149-S1152 VanDerWaalsContact O-N 3.15Å; V1149-S1152 PolarHBondContact O-OG 2.83Å; V1149-V1153 PolarHBondContact O-N 2.92Å; V1149-L1158 HydrophobicContact CG1-CD1 4.05Å; V1149-I1161 HydrophobicContact CG2-CG2 4.06Å; V1149-L1162 HydrophobicContact CG1-CD1 4.32Å; V1149-A1165 HydrophobicContact CG2-CB 3.68Å; V1149-L1248 HydrophobicContact CG1-CD1 3.82Å; V1149-L1248 HydrophobicContact CG1-CD2 4.24Å
1150	L	93.4	Very high	90.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-39.5	178.3	-70.9	170.8	0	0	0	112.6	L1132 H1135 I1136 A1146 K1147 S1152 V1153 F1253 L1618	L1132-L1150 HydrophobicContact CD1-CD1 3.8Å; H1135-L1150 HydrophobicContact CB-CD1 3.76Å; H1135-L1150 HydrophobicContact CB-CD2 4.31Å; I1136-L1150 HydrophobicContact CG1-CD1 3.74Å; A1146-L1150 VanDerWaalsContact O-CG 3.31Å; A1146-L1150 WeakPolarHBondContact O-CG 3.47Å; A1146-L1150 PolarHBondContact O-N 3.18Å; K1147-L1150 PolarHBondContact O-N 3.42Å; L1150-S1152 VanDerWaalsContact C-N 3.35Å; L1150-V1153 PolarHBondContact O-N 2.9Å; L1150-F1253 HydrophobicContact CD2-CD1 4.45Å; L1150-F1253 HydrophobicContact CD2-CD2 4.13Å; L1150-F1253 HydrophobicContact CD2-CE1 3.96Å; L1150-F1253 HydrophobicContact CD2-CE2 3.61Å; L1150-F1253 HydrophobicContact CD2-CZ 3.51Å; L1150-L1618 HydrophobicContact CB-CD2 4.42Å
1151	F	94.5	Very high	91.3	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-62.6	-40.7	172.4	-88.1	-115.5	0	0	0	111.7	K1147 M1148 V1149 V1153 V1154 L1155 A1281 M1381 I1385 W1610 L1614	K1147-F1151 HydrophobicContact CD-CE2 4.41Å; K1147-F1151 HydrophobicContact CG-CD2 3.97Å; K1147-F1151 HydrophobicContact CG-CE2 3.78Å; K1147-F1151 VanDerWaalsContact O-CD2 3.31Å; K1147-F1151 WeakPolarHBondContact O-CD2 3.44Å; K1147-F1151 PolarHBondContact O-N 3.4Å; M1148-F1151 PolarHBondContact O-N 2.84Å; V1149-F1151 PolarHBondContact O-N 3.41Å; F1151-V1153 PolarHBondContact O-N 3.44Å; F1151-V1154 PolarHBondContact O-N 3.13Å; F1151-L1155 PolarHBondContact O-N 2.75Å; F1151-A1281 HydrophobicContact CB-CB 4.3Å; F1151-A1281 HydrophobicContact CD1-CB 3.28Å; F1151-A1281 HydrophobicContact CD2-CB 4.18Å; F1151-A1281 HydrophobicContact CE1-CB 3.43Å; F1151-A1281 VanDerWaalsContact CE1-CB 3.43Å; F1151-A1281 HydrophobicContact CE2-CB 4.3Å; F1151-A1281 HydrophobicContact CG-CB 3.67Å; F1151-A1281 HydrophobicContact CZ-CB 3.93Å; F1151-M1381 HydrophobicContact CD1-SD 4.46Å; F1151-I1385 HydrophobicContact CE2-CD1 4.25Å; F1151-I1385 HydrophobicContact CZ-CD1 4.23Å; F1151-I1385 HydrophobicContact CZ-CG1 4.31Å; F1151-W1610 HydrophobicContact CD1-CZ2 4.34Å; F1151-L1614 HydrophobicContact CD1-CD2 4.23Å; F1151-L1614 HydrophobicContact CD2-CD2 4.32Å; F1151-L1614 HydrophobicContact CE1-CD2 3.58Å; F1151-L1614 HydrophobicContact CE2-CD2 3.69Å; F1151-L1614 HydrophobicContact CZ-CD2 3.28Å
1152	S	94.5	Very high	92.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.8	-26.3	180	78.4	0	0	0	0	114.4	M1148 V1149 L1150 K1156 C1157 L1158	M1148-S1152 PolarHBondContact O-N 3.22Å; M1148-S1152 VanDerWaalsContact O-N 3.12Å; V1149-S1152 PolarHBondContact O-N 3.5Å; V1149-S1152 VanDerWaalsContact O-N 3.15Å; V1149-S1152 PolarHBondContact O-OG 2.83Å; L1150-S1152 VanDerWaalsContact C-N 3.35Å; S1152-K1156 WeakPolarHBondContact O-CA 3.47Å; S1152-K1156 PolarHBondContact O-N 2.93Å; S1152-C1157 PolarHBondContact O-N 2.76Å; S1152-L1158 WeakPolarHBondContact OG-CD1 3.2Å
1153	V	92.2	Very high	92.7	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.012	4%	0.036	C	C	.	.	H	α-helix	trans	-67.4	-37.7	173.1	178.7	0	0	0	0	111.2	V1149 L1150 F1151 L1158 F1253 L1265	V1149-V1153 PolarHBondContact O-N 2.92Å; L1150-V1153 PolarHBondContact O-N 2.9Å; F1151-V1153 PolarHBondContact O-N 3.44Å; V1153-L1158 HydrophobicContact CG2-CD1 4.04Å; V1153-L1158 HydrophobicContact CG2-CD2 4.42Å; V1153-F1253 HydrophobicContact CG1-CB 4.2Å; V1153-F1253 HydrophobicContact CG1-CD1 4.05Å; V1153-F1253 HydrophobicContact CG2-CB 4.43Å; V1153-L1265 HydrophobicContact CG1-CD1 4.33Å; V1153-L1265 HydrophobicContact CG1-CD2 3.78Å; V1153-L1265 WeakPolarHBondContact O-CD2 3.01Å
1154	V	91.5	Very high	93.1	Very high	10 Å²	10	7.5 Å²	7.5	6%	0.061	3%	0.034	C	C	.	.	H	α-helix	trans	-82.1	-36.6	179.2	-174.3	0	0	0	0	111.6	F1151 K1156 W1610 L1613 L1614 R1617	F1151-V1154 PolarHBondContact O-N 3.13Å; V1154-K1156 PolarHBondContact O-N 2.76Å; V1154-W1610 HydrophobicContact CB-CH2 4Å; V1154-W1610 HydrophobicContact CG1-CH2 3.57Å; V1154-W1610 HydrophobicContact CG1-CZ3 3.66Å; V1154-L1613 HydrophobicContact CG1-CG 4.32Å; V1154-L1614 HydrophobicContact CB-CD1 4.33Å; V1154-L1614 HydrophobicContact CG2-CD1 3.83Å; V1154-R1617 HydrophobicContact CG1-CB 4.44Å; V1154-R1617 HydrophobicContact CG1-CG 3.98Å; V1154-R1617 HydrophobicContact CG2-CB 3.67Å; V1154-R1617 HydrophobicContact CG2-CG 4.07Å
1155	L	93.9	Very high	93.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7	172.8	-70.2	170	0	0	0	113.6	F1151 C1157 N1268 V1274 A1277 A1278 W1610 L1633 L1636	F1151-L1155 PolarHBondContact O-N 2.75Å; L1155-C1157 VanDerWaalsContact C-N 3.28Å; L1155-C1157 PolarHBondContact O-N 3.07Å; L1155-N1268 PolarHBondContact O-ND2 3.27Å; L1155-V1274 HydrophobicContact CB-CG1 3.87Å; L1155-V1274 HydrophobicContact CD2-CG1 4.31Å; L1155-V1274 HydrophobicContact CG-CG1 4.5Å; L1155-A1277 HydrophobicContact CD1-CB 4.31Å; L1155-A1278 HydrophobicContact CD1-CB 3.88Å; L1155-W1610 HydrophobicContact CD1-CZ2 4.4Å; L1155-W1610 HydrophobicContact CD2-CH2 3.43Å; L1155-W1610 VanDerWaalsContact CD2-CH2 3.43Å; L1155-W1610 HydrophobicContact CD2-CZ2 3.6Å; L1155-W1610 HydrophobicContact CD2-CZ3 4.23Å; L1155-W1610 HydrophobicContact CG-CH2 3.68Å; L1155-W1610 HydrophobicContact CG-CZ2 3.8Å; L1155-L1633 HydrophobicContact CD2-CD1 4.34Å; L1155-L1636 HydrophobicContact CD2-CD2 3.96Å
1156	K	93.3	Very high	93.2	Very high	17 Å²	17	3.8 Å²	3.8	7%	0.074	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.1	-175.9	-55.1	-179.1	-179.8	-169.4	0	113.5	S1152 V1154 D1264 L1265 N1266 S1267 N1268 E1630 L1633	S1152-K1156 WeakPolarHBondContact O-CA 3.47Å; S1152-K1156 PolarHBondContact O-N 2.93Å; V1154-K1156 PolarHBondContact O-N 2.76Å; K1156-D1264 WeakPolarHBondContact CB-O 3.35Å; K1156-D1264 WeakPolarHBondContact CD-O 3.44Å; K1156-D1264 WeakPolarHBondContact CE-OD1 3.37Å; K1156-D1264 IonicContact NZ-OD1 2.84Å; K1156-D1264 PolarHBondContact NZ-OD1 3.07Å; K1156-D1264 IonicContact NZ-OD2 3.27Å; K1156-L1265 CarbonylContact C-O 3.59Å; K1156-L1265 WeakPolarHBondContact CA-O 3.41Å; K1156-L1265 CarbonylContact O-C 3.6Å; K1156-N1266 CarbonylContact O-C 3.22Å; K1156-N1266 VanDerWaalsContact O-C 3.3Å; K1156-N1266 VanDerWaalsContact O-CA 3.3Å; K1156-N1266 WeakPolarHBondContact O-CA 3.13Å; K1156-S1267 WeakPolarHBondContact CB-OG 3.43Å; K1156-S1267 VanDerWaalsContact CD-OG 3.29Å; K1156-S1267 WeakPolarHBondContact CD-OG 3.41Å; K1156-S1267 PolarHBondContact O-N 2.91Å; K1156-N1268 PolarHBondContact O-N 2.98Å; K1156-E1630 WeakPolarHBondContact CE-OE1 3.44Å; K1156-E1630 IonicContact NZ-OE1 2.79Å; K1156-E1630 PolarHBondContact NZ-OE1 3.19Å; K1156-E1630 IonicContact NZ-OE2 3.23Å; K1156-E1630 PolarHBondContact NZ-OE2 3.16Å; K1156-L1633 HydrophobicContact CD-CD2 4.15Å; K1156-L1633 HydrophobicContact CG-CD2 4.32Å
1157	C	93.7	Very high	93.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.			trans	-122.1	34.6	178.5	63.6	0	0	0	0	112.6	S1152 L1155 P1160 L1265 S1269 V1274 V1275	S1152-C1157 PolarHBondContact O-N 2.76Å; L1155-C1157 VanDerWaalsContact C-N 3.28Å; L1155-C1157 PolarHBondContact O-N 3.07Å; C1157-P1160 WeakPolarHBondContact O-CD 3.43Å; C1157-P1160 WeakPolarHBondContact O-CG 3.47Å; C1157-L1265 PolarHBondContact N-O 3.17Å; C1157-S1269 VanDerWaalsContact CA-OG 3.26Å; C1157-S1269 WeakPolarHBondContact CA-OG 3.46Å; C1157-V1274 HydrophobicContact CB-CG1 4.04Å; C1157-V1275 HydrophobicContact CB-CG2 4.12Å
1158	L	93.7	Very high	92.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-65.4	-44.2	-163.4	177.7	59.8	0	0	0	114.7	V1149 S1152 V1153 I1161 L1162 L1248 V1254 I1262 L1265	V1149-L1158 HydrophobicContact CG1-CD1 4.05Å; S1152-L1158 WeakPolarHBondContact OG-CD1 3.2Å; V1153-L1158 HydrophobicContact CG2-CD1 4.04Å; V1153-L1158 HydrophobicContact CG2-CD2 4.42Å; L1158-I1161 PolarHBondContact O-N 2.79Å; L1158-L1162 HydrophobicContact CD1-CB 4.33Å; L1158-L1162 WeakPolarHBondContact O-CB 3.36Å; L1158-L1162 PolarHBondContact O-N 3.49Å; L1158-L1248 HydrophobicContact CD1-CD1 3.93Å; L1158-L1248 HydrophobicContact CD2-CD1 4.36Å; L1158-V1254 HydrophobicContact CD2-CG2 3.79Å; L1158-I1262 HydrophobicContact CD2-CD1 3.93Å; L1158-L1265 HydrophobicContact CB-CB 4.35Å; L1158-L1265 WeakPolarHBondContact CB-O 3.42Å; L1158-L1265 HydrophobicContact CD2-CB 4.29Å; L1158-L1265 HydrophobicContact CD2-CD1 4.16Å; L1158-L1265 PolarHBondContact N-O 3.45Å
1159	D	91.2	Very high	92.2	Very high	42 Å²	42	6.6 Å²	6.6	23%	0.225	4%	0.036	C	C	.	.	H	α-helix	trans	-60.2	-51.8	-173.3	-161.5	112.4	0	0	0	114.1	I1161 L1162 T1163 R1241 N1266	D1159-I1161 PolarHBondContact O-N 3.28Å; D1159-L1162 PolarHBondContact O-N 2.94Å; D1159-T1163 PolarHBondContact O-N 3.12Å; D1159-T1163 PolarHBondContact O-OG1 3.32Å; D1159-R1241 PolarHBondContact O-NH1 2.97Å; D1159-R1241 IonicContact OD1-CZ 3.15Å; D1159-R1241 IonicContact OD1-NH1 3.2Å; D1159-R1241 IonicContact OD1-NH2 3.47Å; D1159-R1241 PolarHBondContact OD1-NH2 3.39Å; D1159-R1241 IonicContact OD2-CZ 3.43Å; D1159-R1241 IonicContact OD2-NH1 2.75Å; D1159-R1241 PolarHBondContact OD2-NH1 2.6Å; D1159-R1241 IonicContact OD2-NH2 3.58Å; D1159-R1241 PolarHBondContact OD2-NH2 3.46Å; D1159-R1241 VanDerWaalsContact OD2-NH2 3.16Å; D1159-N1266 WeakPolarHBondContact CA-OD1 3.46Å; D1159-N1266 WeakPolarHBondContact CB-OD1 3.45Å; D1159-N1266 PolarHBondContact N-OD1 3.07Å
1160	P	93.7	Very high	91.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.7	-41.4	178.1	25.2	-34.7	0	0	0	112	C1157 T1163 I1164 L1205 S1269 V1275	C1157-P1160 WeakPolarHBondContact O-CD 3.43Å; C1157-P1160 WeakPolarHBondContact O-CG 3.47Å; P1160-T1163 PolarHBondContact O-N 3.19Å; P1160-I1164 WeakPolarHBondContact O-CB 3.27Å; P1160-I1164 VanDerWaalsContact O-CG1 3.26Å; P1160-I1164 WeakPolarHBondContact O-CG1 3.43Å; P1160-I1164 PolarHBondContact O-N 3.39Å; P1160-L1205 HydrophobicContact CB-CD1 3.97Å; P1160-L1205 HydrophobicContact CB-CD2 3.58Å; P1160-L1205 HydrophobicContact CB-CG 4.45Å; P1160-S1269 WeakPolarHBondContact CD-OG 3.21Å; P1160-V1275 HydrophobicContact CB-CG1 4.26Å; P1160-V1275 HydrophobicContact CB-CG2 4.32Å; P1160-V1275 HydrophobicContact CG-CG1 4.3Å; P1160-V1275 HydrophobicContact CG-CG2 3.69Å
1161	I	95.8	Very high	90.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.3	-40.5	178.4	-68.8	-64.4	0	0	0	112	M1148 V1149 L1158 D1159 T1163 I1164 A1165 V1275 A1278 I1279	M1148-I1161 HydrophobicContact CB-CG2 4.46Å; M1148-I1161 HydrophobicContact CE-CG2 4.16Å; M1148-I1161 HydrophobicContact CG-CD1 4.14Å; M1148-I1161 HydrophobicContact CG-CG2 3.77Å; M1148-I1161 HydrophobicContact SD-CD1 4.25Å; M1148-I1161 HydrophobicContact SD-CG2 4.44Å; V1149-I1161 HydrophobicContact CG2-CG2 4.06Å; L1158-I1161 PolarHBondContact O-N 2.79Å; D1159-I1161 PolarHBondContact O-N 3.28Å; I1161-T1163 VanDerWaalsContact C-N 3.3Å; I1161-T1163 PolarHBondContact O-N 2.89Å; I1161-I1164 PolarHBondContact O-N 3.49Å; I1161-A1165 VanDerWaalsContact O-CB 3.27Å; I1161-A1165 WeakPolarHBondContact O-CB 3.41Å; I1161-A1165 PolarHBondContact O-N 3.36Å; I1161-V1275 HydrophobicContact CD1-CG1 3.61Å; I1161-V1275 HydrophobicContact CG1-CG1 4.01Å; I1161-A1278 HydrophobicContact CD1-CB 3.7Å; I1161-A1278 HydrophobicContact CG1-CB 3.8Å; I1161-I1279 HydrophobicContact CD1-CD1 4.48Å; I1161-I1279 HydrophobicContact CD1-CG1 3.72Å
1162	L	93.5	Very high	89.5	Confident	1 Å²	1	12 Å²	12	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-38.9	176.6	-171.4	76.5	0	0	0	111.2	V1149 L1158 D1159 C1166 R1241 L1244 L1245 L1248	V1149-L1162 HydrophobicContact CG1-CD1 4.32Å; L1158-L1162 HydrophobicContact CD1-CB 4.33Å; L1158-L1162 WeakPolarHBondContact O-CB 3.36Å; L1158-L1162 PolarHBondContact O-N 3.49Å; D1159-L1162 PolarHBondContact O-N 2.94Å; L1162-C1166 PolarHBondContact O-N 3.37Å; L1162-C1166 PolarHBondContact O-SG 2.93Å; L1162-R1241 HydrophobicContact CD2-CG 3.77Å; L1162-R1241 HydrophobicContact CG-CG 4.04Å; L1162-L1244 HydrophobicContact CD1-CB 4.23Å; L1162-L1244 HydrophobicContact CD1-CD2 3.48Å; L1162-L1244 VanDerWaalsContact CD1-CD2 3.48Å; L1162-L1244 HydrophobicContact CD1-CG 3.71Å; L1162-L1245 HydrophobicContact CD2-CB 4.13Å; L1162-L1245 HydrophobicContact CD2-CD1 4.41Å; L1162-L1248 HydrophobicContact CD1-CD1 4.04Å
1163	T	93.2	Very high	89	Confident	1 Å²	1	12 Å²	12	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-64.6	-51.7	172	-64	0	0	0	0	111.5	D1159 P1160 I1161 A1165 C1166 I1167 L1205 F1208 R1241	D1159-T1163 PolarHBondContact O-N 3.12Å; D1159-T1163 PolarHBondContact O-OG1 3.32Å; P1160-T1163 PolarHBondContact O-N 3.19Å; I1161-T1163 VanDerWaalsContact C-N 3.3Å; I1161-T1163 PolarHBondContact O-N 2.89Å; T1163-A1165 PolarHBondContact O-N 3.25Å; T1163-C1166 PolarHBondContact O-N 3.47Å; T1163-C1166 VanDerWaalsContact O-N 3.14Å; T1163-I1167 HydrophobicContact CG2-CD1 3.83Å; T1163-I1167 HydrophobicContact CG2-CG1 4.5Å; T1163-I1167 WeakPolarHBondContact O-CG1 3.22Å; T1163-I1167 PolarHBondContact O-N 3.39Å; T1163-L1205 HydrophobicContact CG2-CD1 4.01Å; T1163-F1208 HydrophobicContact CG2-CB 4.02Å; T1163-F1208 HydrophobicContact CG2-CD1 3.45Å; T1163-F1208 VanDerWaalsContact CG2-CD1 3.45Å; T1163-F1208 HydrophobicContact CG2-CD2 4.41Å; T1163-F1208 HydrophobicContact CG2-CE1 3.9Å; T1163-F1208 HydrophobicContact CG2-CG 3.72Å; T1163-R1241 PolarHBondContact OG1-NH1 3.33Å
1164	I	94.3	Very high	88.5	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59	-46.6	-178.7	-70.1	165.6	0	0	0	110.7	M1148 P1160 I1161 C1166 I1167 L1168 H1201 L1205 W1272 V1275 I1279	M1148-I1164 HydrophobicContact CE-CG2 4.19Å; P1160-I1164 WeakPolarHBondContact O-CB 3.27Å; P1160-I1164 VanDerWaalsContact O-CG1 3.26Å; P1160-I1164 WeakPolarHBondContact O-CG1 3.43Å; P1160-I1164 PolarHBondContact O-N 3.39Å; I1161-I1164 PolarHBondContact O-N 3.49Å; I1164-C1166 VanDerWaalsContact C-N 3.32Å; I1164-C1166 PolarHBondContact O-N 3.37Å; I1164-I1167 PolarHBondContact O-N 3.44Å; I1164-L1168 HydrophobicContact CG2-CD1 3.73Å; I1164-L1168 HydrophobicContact CG2-CG 4.26Å; I1164-L1168 WeakPolarHBondContact O-CG 3.32Å; I1164-L1168 PolarHBondContact O-N 2.77Å; I1164-H1201 HydrophobicContact CD1-CB 4.41Å; I1164-L1205 HydrophobicContact CD1-CB 4.43Å; I1164-L1205 HydrophobicContact CG1-CB 4.33Å; I1164-W1272 HydrophobicContact CD1-CH2 4.37Å; I1164-W1272 HydrophobicContact CD1-CZ3 4.43Å; I1164-V1275 HydrophobicContact CD1-CG1 4.36Å; I1164-I1279 HydrophobicContact CD1-CD1 4.32Å
1165	A	92	Very high	87.6	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56	-44.2	175.3	0	0	0	0	0	112.3	I1141 M1148 V1149 I1161 T1163 I1167 L1168 T1169	I1141-A1165 HydrophobicContact CD1-CB 4.35Å; M1148-A1165 HydrophobicContact CE-CB 3.64Å; V1149-A1165 HydrophobicContact CG2-CB 3.68Å; I1161-A1165 VanDerWaalsContact O-CB 3.27Å; I1161-A1165 WeakPolarHBondContact O-CB 3.41Å; I1161-A1165 PolarHBondContact O-N 3.36Å; T1163-A1165 PolarHBondContact O-N 3.25Å; A1165-I1167 PolarHBondContact O-N 3.26Å; A1165-L1168 PolarHBondContact O-N 3.49Å; A1165-T1169 WeakPolarHBondContact O-CB 3.18Å; A1165-T1169 PolarHBondContact O-N 2.86Å; A1165-T1169 PolarHBondContact O-OG1 3.18Å
1166	C	89.6	Confident	86.2	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.1	-28.6	-179.5	-64.6	0	0	0	0	113.3	L1162 T1163 I1164 I1237 I1240 R1241	L1162-C1166 PolarHBondContact O-N 3.37Å; L1162-C1166 PolarHBondContact O-SG 2.93Å; T1163-C1166 PolarHBondContact O-N 3.47Å; T1163-C1166 VanDerWaalsContact O-N 3.14Å; I1164-C1166 VanDerWaalsContact C-N 3.32Å; I1164-C1166 PolarHBondContact O-N 3.37Å; C1166-I1237 HydrophobicContact CB-CG2 3.95Å; C1166-I1240 HydrophobicContact CB-CB 4.37Å; C1166-I1240 HydrophobicContact CB-CG2 4.14Å; C1166-R1241 HydrophobicContact CB-CB 4.33Å; C1166-R1241 WeakPolarHBondContact SG-CA 3.25Å
1167	I	88.7	Confident	84.8	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-69	-52.9	171.3	-64.4	167	0	0	0	109.6	T1163 I1164 A1165 T1169 Y1170 T1171 L1204 I1237	T1163-I1167 HydrophobicContact CG2-CD1 3.83Å; T1163-I1167 HydrophobicContact CG2-CG1 4.5Å; T1163-I1167 WeakPolarHBondContact O-CG1 3.22Å; T1163-I1167 PolarHBondContact O-N 3.39Å; I1164-I1167 PolarHBondContact O-N 3.44Å; A1165-I1167 PolarHBondContact O-N 3.26Å; I1167-T1169 PolarHBondContact O-N 3.4Å; I1167-Y1170 PolarHBondContact O-N 3.12Å; I1167-T1171 PolarHBondContact O-N 2.9Å; I1167-T1171 VanDerWaalsContact O-N 3.09Å; I1167-L1204 HydrophobicContact CD1-CB 3.98Å; I1167-L1204 HydrophobicContact CG2-CB 4.46Å; I1167-L1204 HydrophobicContact CG2-CD1 4.05Å; I1167-L1204 HydrophobicContact CG2-CD2 4.17Å; I1167-L1204 HydrophobicContact CG2-CG 4.46Å; I1167-I1237 HydrophobicContact CB-CD1 4.4Å; I1167-I1237 HydrophobicContact CG1-CD1 3.82Å; I1167-I1237 HydrophobicContact CG1-CG1 4.4Å; I1167-I1237 HydrophobicContact CG1-CG2 4.09Å
1168	L	88.4	Confident	82.8	Confident	24 Å²	24	18.7 Å²	18.7	13%	0.126	9%	0.094	C	C	.	.	H	α-helix	trans	-67.2	-16.3	-178.6	-62	176.2	0	0	0	114.1	Y1145 I1164 A1165 L1204 M1283 N1337	Y1145-L1168 HydrophobicContact CE1-CB 3.92Å; Y1145-L1168 HydrophobicContact CE1-CD1 4.14Å; Y1145-L1168 HydrophobicContact CE2-CB 4.06Å; Y1145-L1168 VanDerWaalsContact CE2-O 3.26Å; Y1145-L1168 WeakPolarHBondContact CE2-O 3.44Å; Y1145-L1168 PolarHBondContact OH-O 3.36Å; Y1145-L1168 VanDerWaalsContact OH-O 3.07Å; I1164-L1168 HydrophobicContact CG2-CD1 3.73Å; I1164-L1168 HydrophobicContact CG2-CG 4.26Å; I1164-L1168 WeakPolarHBondContact O-CG 3.32Å; I1164-L1168 PolarHBondContact O-N 2.77Å; A1165-L1168 PolarHBondContact O-N 3.49Å; L1168-L1204 HydrophobicContact CD2-CD1 4.38Å; L1168-M1283 HydrophobicContact CD1-CE 3.51Å; L1168-N1337 HydrophobicContact CD2-CB 4.43Å
1169	T	81.1	Confident	81.1	Confident	37 Å²	37	22.2 Å²	22.2	23%	0.227	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.5	171.9	-48.2	0	0	0	0	112.9	I1141 Y1145 A1165 I1167	I1141-T1169 HydrophobicContact CB-CG2 4.37Å; I1141-T1169 HydrophobicContact CG2-CG2 4.03Å; Y1145-T1169 VanDerWaalsContact CD2-OG1 3.25Å; Y1145-T1169 WeakPolarHBondContact CD2-OG1 3.4Å; A1165-T1169 WeakPolarHBondContact O-CB 3.18Å; A1165-T1169 PolarHBondContact O-N 2.86Å; A1165-T1169 PolarHBondContact O-OG1 3.18Å; I1167-T1169 PolarHBondContact O-N 3.4Å
1170	Y	76.3	Confident	79.8	Confident	17 Å²	17	23.8 Å²	23.8	7%	0.067	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-73.3	-179.7	-174.2	-134.5	0	0	0	113.8	R968 I1167 T1233 V1236 I1237 I1240	R968-Y1170 VanDerWaalsContact NH1-CD2 3.33Å; I1167-Y1170 PolarHBondContact O-N 3.12Å; Y1170-T1233 HydrophobicContact CD1-CG2 4.16Å; Y1170-T1233 HydrophobicContact CE1-CG2 4.16Å; Y1170-V1236 HydrophobicContact CD1-CB 3.86Å; Y1170-V1236 HydrophobicContact CD1-CG1 3.57Å; Y1170-V1236 HydrophobicContact CD2-CG1 4.41Å; Y1170-V1236 HydrophobicContact CE1-CB 3.55Å; Y1170-V1236 HydrophobicContact CE1-CG1 3.49Å; Y1170-V1236 VanDerWaalsContact CE1-CG1 3.49Å; Y1170-V1236 HydrophobicContact CE1-CG2 3.8Å; Y1170-V1236 HydrophobicContact CE2-CG1 4.36Å; Y1170-V1236 HydrophobicContact CG-CG1 4.06Å; Y1170-I1237 HydrophobicContact CD1-CG1 4.38Å; Y1170-I1240 HydrophobicContact CG-CD1 4.39Å
1171	T	72.7	Confident	78.6	Confident	55 Å²	55	26.2 Å²	26.2	34%	0.337	15%	0.152	S	C	.	.			trans	-174.2	162.6	174.3	-174.2	0	0	0	0	110.1	I1167 T1233	I1167-T1171 PolarHBondContact O-N 2.9Å; I1167-T1171 VanDerWaalsContact O-N 3.09Å; T1171-T1233 HydrophobicContact CG2-CG2 3.61Å
1172	E	76.4	Confident	77.5	Confident	44 Å²	44	28.8 Å²	28.8	21%	0.206	16%	0.164	C	C	.	.			trans	-67.1	144.3	168.2	-75.4	-155.7	-151.8	0	0	110.8	F1174 R1190 L1204	E1172-F1174 VanDerWaalsContact C-N 3.29Å; E1172-F1174 PolarHBondContact O-N 3.12Å; E1172-R1190 IonicContact OE1-NH2 3.55Å; E1172-R1190 IonicContact OE2-CZ 3.07Å; E1172-R1190 IonicContact OE2-NH1 2.72Å; E1172-R1190 PolarHBondContact OE2-NH1 2.85Å; E1172-R1190 IonicContact OE2-NH2 3.47Å; E1172-R1190 PolarHBondContact OE2-NH2 2.93Å; E1172-L1204 HydrophobicContact CB-CD2 4.25Å; E1172-L1204 HydrophobicContact CG-CD1 4.33Å; E1172-L1204 HydrophobicContact CG-CD2 3.76Å
1173	P	83.1	Confident	76.1	Confident	1 Å²	1	33 Å²	33	1%	0.006	18%	0.18	C	C	.	.			trans	-82.2	-3.3	-178	36.6	-39.2	0	0	0	113.8	L1204 I1229 S1230 T1233 F1234	P1173-L1204 HydrophobicContact CG-CD2 4.3Å; P1173-I1229 CarbonylContact O-C 3.3Å; P1173-I1229 WeakPolarHBondContact O-CA 3.3Å; P1173-S1230 PolarHBondContact O-N 3.05Å; P1173-T1233 HydrophobicContact CB-CG2 4.3Å; P1173-F1234 HydrophobicContact CB-CD1 3.95Å; P1173-F1234 HydrophobicContact CB-CD2 4.38Å; P1173-F1234 HydrophobicContact CB-CE1 3.47Å; P1173-F1234 VanDerWaalsContact CB-CE1 3.47Å; P1173-F1234 HydrophobicContact CB-CE2 3.97Å; P1173-F1234 HydrophobicContact CB-CG 4.4Å; P1173-F1234 HydrophobicContact CB-CZ 3.48Å; P1173-F1234 VanDerWaalsContact CB-CZ 3.48Å; P1173-F1234 HydrophobicContact CG-CD1 4.48Å; P1173-F1234 HydrophobicContact CG-CE1 3.55Å; P1173-F1234 HydrophobicContact CG-CE2 4.3Å; P1173-F1234 HydrophobicContact CG-CZ 3.44Å; P1173-F1234 VanDerWaalsContact CG-CZ 3.44Å
1174	F	82.2	Confident	75.2	Confident	24 Å²	24	39.8 Å²	39.8	11%	0.105	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-87.8	135.2	-171.7	-74.2	-80	0	0	0	112.6	E1172 L1186 R1190 L1193 V1203 L1204 A1207 F1228 I1229	E1172-F1174 VanDerWaalsContact C-N 3.29Å; E1172-F1174 PolarHBondContact O-N 3.12Å; F1174-L1186 HydrophobicContact CD1-CD1 3.75Å; F1174-L1186 HydrophobicContact CE1-CD1 4.35Å; F1174-L1186 HydrophobicContact CG-CD1 4.49Å; F1174-R1190 HydrophobicContact CE1-CG 4.37Å; F1174-R1190 HydrophobicContact CZ-CG 4.44Å; F1174-L1193 HydrophobicContact CE1-CD1 4.25Å; F1174-L1193 HydrophobicContact CZ-CD1 3.81Å; F1174-V1203 HydrophobicContact CE2-CG1 3.69Å; F1174-V1203 HydrophobicContact CZ-CG1 3.64Å; F1174-L1204 HydrophobicContact CD2-CD2 4.32Å; F1174-L1204 HydrophobicContact CE2-CD2 4.23Å; F1174-A1207 HydrophobicContact CE2-CB 4.02Å; F1174-A1207 HydrophobicContact CZ-CB 3.76Å; F1174-F1228 WeakPolarHBondContact CA-O 3.31Å; F1174-I1229 HydrophobicContact CD1-CG1 4.07Å; F1174-I1229 HydrophobicContact CE1-CD1 4.09Å; F1174-I1229 HydrophobicContact CE1-CG1 3.92Å; F1174-I1229 HydrophobicContact CZ-CD1 4.37Å; F1174-I1229 HydrophobicContact CZ-CG1 4.48Å
1175	I	73.3	Confident	74.6	Confident	54 Å²	54	43.5 Å²	43.5	28%	0.277	23%	0.23	S	C	.	.			trans	-102	127.6	-177.1	-62.7	176	0	0	0	108.2	P1177 F1228 N1899	I1175-P1177 WeakPolarHBondContact O-CD 3.49Å; I1175-F1228 HydrophobicContact CB-CB 4.4Å; I1175-F1228 WeakPolarHBondContact CB-O 3.43Å; I1175-F1228 PolarHBondContact N-O 2.61Å; I1175-F1228 WeakPolarHBondContact O-CB 3.4Å; I1175-N1899 HydrophobicContact CG2-CB 4.3Å; I1175-N1899 WeakPolarHBondContact CG2-ND2 3.46Å; I1175-N1899 VanDerWaalsContact CG2-OD1 3.26Å; I1175-N1899 WeakPolarHBondContact CG2-OD1 3.44Å
1176	L	64.6	Low	74	Confident	33 Å²	33	43.5 Å²	43.5	17%	0.173	23%	0.23	C	C	.	.			trans	-96.2	108.6	-173.1	-178.6	69.6	0	0	0	113.1	R1183 L1186 N1899 H1900	L1176-R1183 HydrophobicContact CD1-CG 4.43Å; L1176-L1186 HydrophobicContact CD1-CD2 4.03Å; L1176-N1899 WeakPolarHBondContact O-CA 3.34Å; L1176-N1899 WeakPolarHBondContact O-CB 3.41Å; L1176-N1899 PolarHBondContact O-OD1 3.12Å; L1176-H1900 PolarHBondContact O-N 2.72Å
1177	P	62.6	Low	73.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-61.7	161.4	-174.9	-24.9	36.4	0	0	0	115	I1175 E1182 R1183 F1228 N1899	I1175-P1177 WeakPolarHBondContact O-CD 3.49Å; P1177-E1182 HydrophobicContact CB-CB 3.48Å; P1177-E1182 VanDerWaalsContact CB-CB 3.48Å; P1177-E1182 HydrophobicContact CG-CB 3.69Å; P1177-R1183 HydrophobicContact CB-CG 4.29Å; P1177-R1183 PolarHBondContact O-NE 3.47Å; P1177-R1183 PolarHBondContact O-NH2 3.46Å; P1177-F1228 HydrophobicContact CG-CD1 3.75Å; P1177-F1228 HydrophobicContact CG-CE1 3.65Å; P1177-F1228 HydrophobicContact CG-CG 4.32Å; P1177-F1228 HydrophobicContact CG-CZ 4.14Å; P1177-N1899 WeakPolarHBondContact CA-OD1 3.49Å
1178	R	53.3	Low	73.4	Confident	58 Å²	58	48.4 Å²	48.4	22%	0.219	26%	0.255	C	S	.	.	S	Bend	trans	-76.1	-43.8	167.2	-76.6	165.9	-156.4	-172.1	11.6	111.2	E903 A1898 N1899 H1900	E903-R1178 IonicContact OE1-CZ 3.75Å; E903-R1178 IonicContact OE1-NH1 3.71Å; E903-R1178 PolarHBondContact OE1-NH1 2.94Å; E903-R1178 IonicContact OE1-NH2 2.8Å; E903-R1178 PolarHBondContact OE1-NH2 3.31Å; E903-R1178 IonicContact OE2-NH2 2.68Å; E903-R1178 PolarHBondContact OE2-NH2 3.1Å; R1178-A1898 VanDerWaalsContact CB-O 3.25Å; R1178-A1898 WeakPolarHBondContact CB-O 3.49Å; R1178-A1898 VanDerWaalsContact CG-O 3.24Å; R1178-A1898 WeakPolarHBondContact CG-O 3.36Å; R1178-A1898 PolarHBondContact N-O 3.13Å; R1178-N1899 VanDerWaalsContact CG-C 3.47Å; R1178-N1899 VanDerWaalsContact CZ-O 3.23Å; R1178-N1899 VanDerWaalsContact NE-C 3.27Å; R1178-N1899 PolarHBondContact NE-O 2.94Å; R1178-N1899 PolarHBondContact NH2-O 2.84Å; R1178-H1900 HydrophobicContact CG-CB 3.99Å; R1178-H1900 VanDerWaalsContact CZ-NE2 3.27Å; R1178-H1900 PolarHBondContact NE-CD2 3.08Å; R1178-H1900 VanDerWaalsContact NE-CD2 3.27Å; R1178-H1900 PolarHBondContact NH1-NE2 3.02Å; R1178-H1900 PolarHBondContact NH2-CD2 3.42Å; R1178-H1900 PolarHBondContact NH2-NE2 3.1Å
1179	N	57.1	Low	73.4	Confident	74 Å²	74	48.4 Å²	48.4	40%	0.396	26%	0.255	S	S	.	.	S	Bend	trans	-70.2	134.7	-172.7	-177.6	-0	0	0	0	111.9	A1181 E1182 R1183	N1179-A1181 VanDerWaalsContact C-N 3.27Å; N1179-A1181 PolarHBondContact O-N 3.36Å; N1179-A1181 PolarHBondContact OD1-N 3.09Å; N1179-E1182 HydrophobicContact CB-CB 4.12Å; N1179-E1182 VanDerWaalsContact CB-CD 3.43Å; N1179-E1182 HydrophobicContact CB-CG 4.05Å; N1179-E1182 VanDerWaalsContact CB-OE1 3.27Å; N1179-E1182 WeakPolarHBondContact CB-OE1 3.47Å; N1179-E1182 PolarHBondContact ND2-OE1 3.23Å; N1179-E1182 PolarHBondContact O-N 2.91Å; N1179-R1183 WeakPolarHBondContact O-CB 3.32Å; N1179-R1183 VanDerWaalsContact O-CG 3.28Å; N1179-R1183 WeakPolarHBondContact O-CG 3.19Å; N1179-R1183 PolarHBondContact O-N 3.47Å
1180	A	64.4	Low	73.7	Confident	76 Å²	76	46.9 Å²	46.9	63%	0.628	25%	0.245	S	C	*	.	H	α-helix	trans	-63.2	-31.3	176.9	0	0	0	0	0	113	K1184	A1180-K1184 PolarHBondContact O-N 3.11Å; A1180-K1184 VanDerWaalsContact O-N 3.14Å
1181	A	67.9	Low	74.2	Confident	50 Å²	50	48.4 Å²	48.4	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-54.9	174.5	0	0	0	0	0	111.2	N1179 R1183 K1184 D1185	N1179-A1181 VanDerWaalsContact C-N 3.27Å; N1179-A1181 PolarHBondContact O-N 3.36Å; N1179-A1181 PolarHBondContact OD1-N 3.09Å; A1181-R1183 VanDerWaalsContact C-N 3.25Å; A1181-R1183 PolarHBondContact O-N 2.97Å; A1181-K1184 WeakPolarHBondContact O-CA 3.44Å; A1181-K1184 VanDerWaalsContact O-CB 3.26Å; A1181-K1184 WeakPolarHBondContact O-CB 3.38Å; A1181-K1184 PolarHBondContact O-N 3.01Å; A1181-D1185 PolarHBondContact O-N 3.12Å
1182	E	72.2	Confident	74.8	Confident	55 Å²	55	49.9 Å²	49.9	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-33.8	178.2	-67.1	152.9	-138.2	0	0	112.4	P1177 N1179 D1185 L1186 F1228	P1177-E1182 HydrophobicContact CB-CB 3.48Å; P1177-E1182 VanDerWaalsContact CB-CB 3.48Å; P1177-E1182 HydrophobicContact CG-CB 3.69Å; N1179-E1182 HydrophobicContact CB-CB 4.12Å; N1179-E1182 VanDerWaalsContact CB-CD 3.43Å; N1179-E1182 HydrophobicContact CB-CG 4.05Å; N1179-E1182 VanDerWaalsContact CB-OE1 3.27Å; N1179-E1182 WeakPolarHBondContact CB-OE1 3.47Å; N1179-E1182 PolarHBondContact ND2-OE1 3.23Å; N1179-E1182 PolarHBondContact O-N 2.91Å; E1182-D1185 PolarHBondContact O-N 3.43Å; E1182-L1186 PolarHBondContact O-N 3.41Å; E1182-F1228 HydrophobicContact CB-CE1 4.13Å; E1182-F1228 HydrophobicContact CB-CZ 3.92Å; E1182-F1228 HydrophobicContact CG-CE1 4.44Å; E1182-F1228 HydrophobicContact CG-CZ 4.32Å
1183	R	65.2	Low	75.3	Confident	88 Å²	88	48.1 Å²	48.1	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-42.7	170.5	-75.2	170.4	178	172.7	-1.8	112.3	L1176 P1177 N1179 A1181 D1185 L1186 M1187 H1900	L1176-R1183 HydrophobicContact CD1-CG 4.43Å; P1177-R1183 HydrophobicContact CB-CG 4.29Å; P1177-R1183 PolarHBondContact O-NE 3.47Å; P1177-R1183 PolarHBondContact O-NH2 3.46Å; N1179-R1183 WeakPolarHBondContact O-CB 3.32Å; N1179-R1183 VanDerWaalsContact O-CG 3.28Å; N1179-R1183 WeakPolarHBondContact O-CG 3.19Å; N1179-R1183 PolarHBondContact O-N 3.47Å; A1181-R1183 VanDerWaalsContact C-N 3.25Å; A1181-R1183 PolarHBondContact O-N 2.97Å; R1183-D1185 VanDerWaalsContact C-N 3.31Å; R1183-L1186 PolarHBondContact O-N 2.8Å; R1183-M1187 WeakPolarHBondContact O-CG 3.3Å; R1183-M1187 PolarHBondContact O-N 2.7Å; R1183-M1187 VanDerWaalsContact O-N 3.09Å; R1183-H1900 PolarHBondContact NH2-O 3.02Å
1184	K	73.6	Confident	75.5	Confident	145 Å²	145	48.3 Å²	48.3	63%	0.63	26%	0.257	S	S	*	.	H	α-helix	trans	-63.1	-39.7	175.1	-172.1	-177.8	179.4	-177.3	0	110.9	A1180 A1181 M1187 N1188	A1180-K1184 PolarHBondContact O-N 3.11Å; A1180-K1184 VanDerWaalsContact O-N 3.14Å; A1181-K1184 WeakPolarHBondContact O-CA 3.44Å; A1181-K1184 VanDerWaalsContact O-CB 3.26Å; A1181-K1184 WeakPolarHBondContact O-CB 3.38Å; A1181-K1184 PolarHBondContact O-N 3.01Å; K1184-M1187 PolarHBondContact O-N 2.87Å; K1184-N1188 VanDerWaalsContact O-CG 3.24Å; K1184-N1188 PolarHBondContact O-N 2.92Å; K1184-N1188 PolarHBondContact O-ND2 3.36Å
1185	D	81.6	Confident	75.5	Confident	78 Å²	78	49.8 Å²	49.8	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-42.4	177	-63.1	-33.3	0	0	0	112.3	A1181 E1182 R1183 M1187 N1188 I1189 F1228	A1181-D1185 PolarHBondContact O-N 3.12Å; E1182-D1185 PolarHBondContact O-N 3.43Å; R1183-D1185 VanDerWaalsContact C-N 3.31Å; D1185-M1187 VanDerWaalsContact C-N 3.3Å; D1185-M1187 PolarHBondContact O-N 2.81Å; D1185-N1188 WeakPolarHBondContact O-CB 3.15Å; D1185-N1188 PolarHBondContact O-N 3.23Å; D1185-N1188 VanDerWaalsContact O-N 3.14Å; D1185-I1189 WeakPolarHBondContact O-CB 2.94Å; D1185-I1189 WeakPolarHBondContact O-CD1 3.04Å; D1185-I1189 VanDerWaalsContact O-CG1 3.28Å; D1185-I1189 WeakPolarHBondContact O-CG1 3.35Å; D1185-I1189 PolarHBondContact O-N 2.92Å; D1185-F1228 HydrophobicContact CB-CE2 4.39Å
1186	L	79.5	Confident	75.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.3	-43.4	170.3	170.8	60.8	0	0	0	111.9	F1174 L1176 E1182 R1183 I1189 R1190 F1228	F1174-L1186 HydrophobicContact CD1-CD1 3.75Å; F1174-L1186 HydrophobicContact CE1-CD1 4.35Å; F1174-L1186 HydrophobicContact CG-CD1 4.49Å; L1176-L1186 HydrophobicContact CD1-CD2 4.03Å; E1182-L1186 PolarHBondContact O-N 3.41Å; R1183-L1186 PolarHBondContact O-N 2.8Å; L1186-I1189 PolarHBondContact O-N 3.22Å; L1186-R1190 HydrophobicContact CD1-CG 4.14Å; L1186-R1190 PolarHBondContact O-N 3.41Å; L1186-F1228 HydrophobicContact CB-CD2 3.94Å; L1186-F1228 HydrophobicContact CB-CE2 4.16Å; L1186-F1228 HydrophobicContact CD1-CB 4.35Å; L1186-F1228 HydrophobicContact CD1-CD2 4.24Å
1187	M	81.2	Confident	76.7	Confident	35 Å²	35	50.8 Å²	50.8	17%	0.172	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-40.7	176	-62.7	-50	168.5	0	0	112.2	R1183 K1184 D1185 I1189 R1190 R1191 Q1312	R1183-M1187 WeakPolarHBondContact O-CG 3.3Å; R1183-M1187 PolarHBondContact O-N 2.7Å; R1183-M1187 VanDerWaalsContact O-N 3.09Å; K1184-M1187 PolarHBondContact O-N 2.87Å; D1185-M1187 VanDerWaalsContact C-N 3.3Å; D1185-M1187 PolarHBondContact O-N 2.81Å; M1187-I1189 VanDerWaalsContact C-N 3.3Å; M1187-I1189 PolarHBondContact O-N 2.86Å; M1187-R1190 PolarHBondContact O-N 3.21Å; M1187-R1191 WeakPolarHBondContact O-CG 3.15Å; M1187-R1191 PolarHBondContact O-N 3.05Å; M1187-Q1312 HydrophobicContact CE-CB 4.14Å; M1187-Q1312 HydrophobicContact CE-CG 4.03Å
1188	N	84.7	Confident	77.9	Confident	68 Å²	68	54.5 Å²	54.5	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-39.3	174.1	-66.3	-28	0	0	0	111.6	K1184 D1185 R1191 S1192	K1184-N1188 VanDerWaalsContact O-CG 3.24Å; K1184-N1188 PolarHBondContact O-N 2.92Å; K1184-N1188 PolarHBondContact O-ND2 3.36Å; D1185-N1188 WeakPolarHBondContact O-CB 3.15Å; D1185-N1188 PolarHBondContact O-N 3.23Å; D1185-N1188 VanDerWaalsContact O-N 3.14Å; N1188-R1191 PolarHBondContact O-N 3.2Å; N1188-R1191 PolarHBondContact OD1-NH1 2.93Å; N1188-S1192 WeakPolarHBondContact O-CB 3.49Å; N1188-S1192 PolarHBondContact O-N 2.94Å
1189	I	87.7	Confident	79.8	Confident	25 Å²	25	51.8 Å²	51.8	13%	0.128	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-48.3	175.1	-71.4	156.4	0	0	0	111.3	D1185 L1186 M1187 R1191 S1192 L1193 K1226 H1227 F1228	D1185-I1189 WeakPolarHBondContact O-CB 2.94Å; D1185-I1189 WeakPolarHBondContact O-CD1 3.04Å; D1185-I1189 VanDerWaalsContact O-CG1 3.28Å; D1185-I1189 WeakPolarHBondContact O-CG1 3.35Å; D1185-I1189 PolarHBondContact O-N 2.92Å; L1186-I1189 PolarHBondContact O-N 3.22Å; M1187-I1189 VanDerWaalsContact C-N 3.3Å; M1187-I1189 PolarHBondContact O-N 2.86Å; I1189-R1191 VanDerWaalsContact C-N 3.34Å; I1189-R1191 PolarHBondContact O-N 2.8Å; I1189-S1192 PolarHBondContact O-N 2.97Å; I1189-L1193 HydrophobicContact CG2-CD1 3.97Å; I1189-L1193 HydrophobicContact CG2-CG 4.45Å; I1189-L1193 WeakPolarHBondContact O-CG 3.31Å; I1189-L1193 PolarHBondContact O-N 2.59Å; I1189-K1226 VanDerWaalsContact CD1-O 3.23Å; I1189-K1226 WeakPolarHBondContact CD1-O 3.3Å; I1189-H1227 HydrophobicContact CG2-CB 4.38Å; I1189-H1227 WeakPolarHBondContact CG2-ND1 3.21Å; I1189-F1228 HydrophobicContact CD1-CD2 3.94Å; I1189-F1228 HydrophobicContact CD1-CE2 3.83Å
1190	R	88.8	Confident	81.4	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-42.3	176.6	-70.6	179.8	69.1	103.2	-5.5	111.1	E1172 F1174 L1186 M1187 L1193 S1194 D1200 V1203 Q1312 V1314	E1172-R1190 IonicContact OE1-NH2 3.55Å; E1172-R1190 IonicContact OE2-CZ 3.07Å; E1172-R1190 IonicContact OE2-NH1 2.72Å; E1172-R1190 PolarHBondContact OE2-NH1 2.85Å; E1172-R1190 IonicContact OE2-NH2 3.47Å; E1172-R1190 PolarHBondContact OE2-NH2 2.93Å; F1174-R1190 HydrophobicContact CE1-CG 4.37Å; F1174-R1190 HydrophobicContact CZ-CG 4.44Å; L1186-R1190 HydrophobicContact CD1-CG 4.14Å; L1186-R1190 PolarHBondContact O-N 3.41Å; M1187-R1190 PolarHBondContact O-N 3.21Å; R1190-L1193 PolarHBondContact O-N 3.14Å; R1190-S1194 PolarHBondContact O-N 3.08Å; R1190-D1200 IonicContact NH2-OD1 3.83Å; R1190-D1200 PolarHBondContact NH2-OD1 2.76Å; R1190-V1203 HydrophobicContact CB-CG1 4.24Å; R1190-V1203 HydrophobicContact CG-CG1 4.09Å; R1190-V1203 WeakPolarHBondContact O-CG2 3.37Å; R1190-Q1312 PolarHBondContact NE-O 2.87Å; R1190-Q1312 PolarHBondContact NH2-O 3.17Å; R1190-V1314 HydrophobicContact CB-CG1 3.74Å; R1190-V1314 WeakPolarHBondContact O-CG1 3.43Å
1191	R	85.8	Confident	82.8	Confident	49 Å²	49	44.7 Å²	44.7	19%	0.185	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-45.3	172.6	-69.9	179.7	-164	130	3.2	112.6	M1187 N1188 I1189 L1193 S1194 S1195 T1317 N1318	M1187-R1191 WeakPolarHBondContact O-CG 3.15Å; M1187-R1191 PolarHBondContact O-N 3.05Å; N1188-R1191 PolarHBondContact O-N 3.2Å; N1188-R1191 PolarHBondContact OD1-NH1 2.93Å; I1189-R1191 VanDerWaalsContact C-N 3.34Å; I1189-R1191 PolarHBondContact O-N 2.8Å; R1191-L1193 VanDerWaalsContact C-N 3.34Å; R1191-L1193 PolarHBondContact O-N 2.89Å; R1191-S1194 PolarHBondContact O-N 3.35Å; R1191-S1194 PolarHBondContact O-OG 2.81Å; R1191-S1194 VanDerWaalsContact O-OG 3.06Å; R1191-S1195 PolarHBondContact O-N 2.88Å; R1191-T1317 PolarHBondContact NH2-OG1 3.49Å; R1191-N1318 PolarHBondContact NH2-O 3.47Å
1192	S	85	Confident	84	Confident	87 Å²	87	42.3 Å²	42.3	61%	0.608	21%	0.212	S	C	*	.	H	α-helix	trans	-59.8	-44.4	176.8	-179.7	0	0	0	0	111.8	N1188 I1189 S1195	N1188-S1192 WeakPolarHBondContact O-CB 3.49Å; N1188-S1192 PolarHBondContact O-N 2.94Å; I1189-S1192 PolarHBondContact O-N 2.97Å; S1192-S1195 PolarHBondContact O-N 2.83Å; S1192-S1195 PolarHBondContact O-OG 3.11Å
1193	L	87.8	Confident	84.9	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-34.8	179.1	-70.8	173.6	0	0	0	112.6	F1174 I1189 R1190 R1191 S1195 V1203 R1206 A1207 F1210	F1174-L1193 HydrophobicContact CE1-CD1 4.25Å; F1174-L1193 HydrophobicContact CZ-CD1 3.81Å; I1189-L1193 HydrophobicContact CG2-CD1 3.97Å; I1189-L1193 HydrophobicContact CG2-CG 4.45Å; I1189-L1193 WeakPolarHBondContact O-CG 3.31Å; I1189-L1193 PolarHBondContact O-N 2.59Å; R1190-L1193 PolarHBondContact O-N 3.14Å; R1191-L1193 VanDerWaalsContact C-N 3.34Å; R1191-L1193 PolarHBondContact O-N 2.89Å; L1193-S1195 VanDerWaalsContact C-N 3.32Å; L1193-V1203 HydrophobicContact CB-CB 4.38Å; L1193-V1203 HydrophobicContact CB-CG1 3.95Å; L1193-V1203 HydrophobicContact CB-CG2 4.27Å; L1193-V1203 HydrophobicContact CD1-CG1 3.97Å; L1193-R1206 HydrophobicContact CD2-CB 4.33Å; L1193-R1206 WeakPolarHBondContact O-CD 3.45Å; L1193-R1206 PolarHBondContact O-NH1 3.45Å; L1193-A1207 HydrophobicContact CD1-CB 4.48Å; L1193-F1210 HydrophobicContact CD2-CD2 3.64Å; L1193-F1210 HydrophobicContact CD2-CE2 3.68Å
1194	S	86.3	Confident	86.3	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-70.5	-28.8	175.2	83.4	0	0	0	0	112.5	R1190 R1191 N1196 S1197	R1190-S1194 PolarHBondContact O-N 3.08Å; R1191-S1194 PolarHBondContact O-N 3.35Å; R1191-S1194 PolarHBondContact O-OG 2.81Å; R1191-S1194 VanDerWaalsContact O-OG 3.06Å; S1194-N1196 PolarHBondContact O-N 3.24Å; S1194-S1197 VanDerWaalsContact O-CB 3.31Å; S1194-S1197 WeakPolarHBondContact O-CB 3.41Å; S1194-S1197 PolarHBondContact O-N 3.01Å; S1194-S1197 PolarHBondContact O-OG 2.88Å
1195	S	82.1	Confident	87.2	Confident	55 Å²	55	28.6 Å²	28.6	39%	0.385	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	47.8	-176.4	-56.5	0	0	0	0	112.9	R1191 S1192 L1193 S1197 R1206	R1191-S1195 PolarHBondContact O-N 2.88Å; S1192-S1195 PolarHBondContact O-N 2.83Å; S1192-S1195 PolarHBondContact O-OG 3.11Å; L1193-S1195 VanDerWaalsContact C-N 3.32Å; S1195-S1197 PolarHBondContact O-N 2.83Å; S1195-R1206 VanDerWaalsContact CB-NH1 3.31Å; S1195-R1206 PolarHBondContact OG-NH1 3.28Å
1196	N	79.2	Confident	87.6	Confident	105 Å²	105	26.1 Å²	26.1	56%	0.561	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	22.6	178.4	-54.6	-13.4	0	0	0	114.8	S1194 Y1198 L1650	S1194-N1196 PolarHBondContact O-N 3.24Å; N1196-Y1198 VanDerWaalsContact O-CD2 3.23Å; N1196-Y1198 WeakPolarHBondContact O-CD2 3.4Å; N1196-Y1198 WeakPolarHBondContact O-CE2 3.39Å; N1196-Y1198 PolarHBondContact O-N 2.91Å; N1196-L1650 HydrophobicContact CB-CD1 3.98Å
1197	S	84.3	Confident	88.2	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-80.3	3	172.8	83.9	0	0	0	0	114.1	S1194 S1195 S1199 M1202	S1194-S1197 VanDerWaalsContact O-CB 3.31Å; S1194-S1197 WeakPolarHBondContact O-CB 3.41Å; S1194-S1197 PolarHBondContact O-N 3.01Å; S1194-S1197 PolarHBondContact O-OG 2.88Å; S1195-S1197 PolarHBondContact O-N 2.83Å; S1197-S1199 PolarHBondContact O-N 2.81Å; S1197-M1202 WeakPolarHBondContact OG-CB 3.41Å; S1197-M1202 WeakPolarHBondContact OG-CG 3.41Å
1198	Y	88.5	Confident	88.7	Confident	78 Å²	78	24.6 Å²	24.6	31%	0.306	13%	0.132	S	C	.	.			trans	42.1	57	-174.9	-59.5	-91.9	0	0	0	113.8	N1196 M1324 P1330 I1372	N1196-Y1198 VanDerWaalsContact O-CD2 3.23Å; N1196-Y1198 WeakPolarHBondContact O-CD2 3.4Å; N1196-Y1198 WeakPolarHBondContact O-CE2 3.39Å; N1196-Y1198 PolarHBondContact O-N 2.91Å; Y1198-M1324 HydrophobicContact CE1-SD 4.49Å; Y1198-P1330 HydrophobicContact CD2-CG 4.27Å; Y1198-P1330 HydrophobicContact CE2-CG 4.21Å; Y1198-I1372 VanDerWaalsContact CB-CD1 3.45Å; Y1198-I1372 HydrophobicContact CD1-CD1 3.88Å; Y1198-I1372 HydrophobicContact CG-CD1 3.76Å; Y1198-I1372 PolarHBondContact O-N 3.19Å
1199	S	92.1	Very high	89	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-154.9	127.5	-177.1	176.1	0	0	0	0	112.8	S1197 H1201 M1202 W1272 V1370 S1371	S1197-S1199 PolarHBondContact O-N 2.81Å; S1199-H1201 WeakPolarHBondContact OG-CB 3.23Å; S1199-H1201 PolarHBondContact OG-N 3Å; S1199-H1201 VanDerWaalsContact OG-N 3.15Å; S1199-M1202 PolarHBondContact OG-N 3.39Å; S1199-W1272 WeakPolarHBondContact OG-CZ2 3.34Å; S1199-V1370 CarbonylContact C-O 3.53Å; S1199-V1370 WeakPolarHBondContact CA-O 3.27Å; S1199-S1371 WeakPolarHBondContact CB-OG 3.42Å; S1199-S1371 PolarHBondContact OG-OG 3.4Å
1200	D	92.4	Very high	89.1	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-70.7	-33.6	167.2	-64.3	-54.8	0	0	0	111.4	R1190 M1202 V1203 L1204 S1313 V1314 C1369 V1370	R1190-D1200 IonicContact NH2-OD1 3.83Å; R1190-D1200 PolarHBondContact NH2-OD1 2.76Å; D1200-M1202 PolarHBondContact O-N 3.36Å; D1200-V1203 WeakPolarHBondContact O-CA 3.44Å; D1200-V1203 VanDerWaalsContact O-CB 3.29Å; D1200-V1203 WeakPolarHBondContact O-CB 3.46Å; D1200-V1203 PolarHBondContact O-N 3.44Å; D1200-L1204 WeakPolarHBondContact O-CG 3.15Å; D1200-L1204 PolarHBondContact O-N 3.29Å; D1200-S1313 VanDerWaalsContact OD1-CA 3.32Å; D1200-S1313 WeakPolarHBondContact OD1-CA 3.41Å; D1200-S1313 VanDerWaalsContact OD2-CB 3.31Å; D1200-S1313 WeakPolarHBondContact OD2-CB 3.39Å; D1200-S1313 PolarHBondContact OD2-OG 2.92Å; D1200-V1314 PolarHBondContact OD1-N 3.11Å; D1200-C1369 HydrophobicContact CB-CB 4.47Å; D1200-V1370 PolarHBondContact N-O 3.09Å; D1200-V1370 PolarHBondContact OD2-N 3.48Å
1201	H	93.8	Very high	89.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-32.9	175.8	-61.6	85.6	0	0	0	112.4	I1164 S1199 L1205 W1272 I1279 M1283 C1369 S1371	I1164-H1201 HydrophobicContact CD1-CB 4.41Å; S1199-H1201 WeakPolarHBondContact OG-CB 3.23Å; S1199-H1201 PolarHBondContact OG-N 3Å; S1199-H1201 VanDerWaalsContact OG-N 3.15Å; H1201-L1205 WeakPolarHBondContact O-CB 3.2Å; H1201-L1205 PolarHBondContact O-N 3.11Å; H1201-L1205 VanDerWaalsContact O-N 3.12Å; H1201-W1272 HydrophobicContact CB-CH2 4.2Å; H1201-I1279 HydrophobicContact CB-CD1 4.09Å; H1201-M1283 WeakPolarHBondContact NE2-CE 3.38Å; H1201-C1369 PolarHBondContact CE1-O 2.96Å; H1201-C1369 VanDerWaalsContact CE1-SG 3.55Å; H1201-S1371 PolarHBondContact ND1-OG 3.41Å
1202	M	92.4	Very high	89.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-41.8	170.7	179.1	54.3	50.9	0	0	112.2	S1197 S1199 D1200 L1205 R1206 W1272 P1652 V1655	S1197-M1202 WeakPolarHBondContact OG-CB 3.41Å; S1197-M1202 WeakPolarHBondContact OG-CG 3.41Å; S1199-M1202 PolarHBondContact OG-N 3.39Å; D1200-M1202 PolarHBondContact O-N 3.36Å; M1202-L1205 PolarHBondContact O-N 2.87Å; M1202-R1206 WeakPolarHBondContact O-CB 3.48Å; M1202-R1206 PolarHBondContact O-N 3.29Å; M1202-R1206 WeakPolarHBondContact SD-CD 3.45Å; M1202-R1206 HydrophobicContact SD-CG 3.84Å; M1202-R1206 PolarHBondContact SD-NE 2.99Å; M1202-R1206 VanDerWaalsContact SD-NE 3.43Å; M1202-W1272 HydrophobicContact CB-CH2 4.28Å; M1202-W1272 HydrophobicContact CB-CZ2 3.92Å; M1202-W1272 HydrophobicContact CE-CD2 3.19Å; M1202-W1272 HydrophobicContact CE-CE3 3.21Å; M1202-W1272 HydrophobicContact CE-CG 3.85Å; M1202-W1272 HydrophobicContact CE-CH2 3.66Å; M1202-W1272 HydrophobicContact CE-CZ2 3.63Å; M1202-W1272 HydrophobicContact CE-CZ3 3.43Å; M1202-W1272 VanDerWaalsContact CE-CZ3 3.43Å; M1202-P1652 HydrophobicContact CE-CG 3.67Å; M1202-P1652 HydrophobicContact SD-CG 4.11Å; M1202-V1655 HydrophobicContact CE-CG1 4.29Å; M1202-V1655 HydrophobicContact CE-CG2 3.57Å; M1202-V1655 HydrophobicContact SD-CG2 4.03Å
1203	V	92.1	Very high	89.4	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-47.1	177.7	179.5	0	0	0	0	110.5	F1174 R1190 L1193 D1200 R1206 A1207 V1314	F1174-V1203 HydrophobicContact CE2-CG1 3.69Å; F1174-V1203 HydrophobicContact CZ-CG1 3.64Å; R1190-V1203 HydrophobicContact CB-CG1 4.24Å; R1190-V1203 HydrophobicContact CG-CG1 4.09Å; R1190-V1203 WeakPolarHBondContact O-CG2 3.37Å; L1193-V1203 HydrophobicContact CB-CB 4.38Å; L1193-V1203 HydrophobicContact CB-CG1 3.95Å; L1193-V1203 HydrophobicContact CB-CG2 4.27Å; L1193-V1203 HydrophobicContact CD1-CG1 3.97Å; D1200-V1203 WeakPolarHBondContact O-CA 3.44Å; D1200-V1203 VanDerWaalsContact O-CB 3.29Å; D1200-V1203 WeakPolarHBondContact O-CB 3.46Å; D1200-V1203 PolarHBondContact O-N 3.44Å; V1203-R1206 PolarHBondContact O-N 2.78Å; V1203-A1207 VanDerWaalsContact O-CB 3.22Å; V1203-A1207 WeakPolarHBondContact O-CB 3.03Å; V1203-A1207 PolarHBondContact O-N 3.25Å; V1203-V1314 HydrophobicContact CG2-CG1 3.75Å
1204	L	92.8	Very high	89.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-46.8	177.8	-66.2	177.4	0	0	0	112.4	I1167 L1168 E1172 P1173 F1174 D1200 F1208	I1167-L1204 HydrophobicContact CD1-CB 3.98Å; I1167-L1204 HydrophobicContact CG2-CB 4.46Å; I1167-L1204 HydrophobicContact CG2-CD1 4.05Å; I1167-L1204 HydrophobicContact CG2-CD2 4.17Å; I1167-L1204 HydrophobicContact CG2-CG 4.46Å; L1168-L1204 HydrophobicContact CD2-CD1 4.38Å; E1172-L1204 HydrophobicContact CB-CD2 4.25Å; E1172-L1204 HydrophobicContact CG-CD1 4.33Å; E1172-L1204 HydrophobicContact CG-CD2 3.76Å; P1173-L1204 HydrophobicContact CG-CD2 4.3Å; F1174-L1204 HydrophobicContact CD2-CD2 4.32Å; F1174-L1204 HydrophobicContact CE2-CD2 4.23Å; D1200-L1204 WeakPolarHBondContact O-CG 3.15Å; D1200-L1204 PolarHBondContact O-N 3.29Å; L1204-F1208 PolarHBondContact O-N 2.9Å
1205	L	92.7	Very high	89.5	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-46.3	176.8	177	62.1	0	0	0	112	P1160 T1163 I1164 H1201 M1202 F1208 Q1209 W1272 V1655	P1160-L1205 HydrophobicContact CB-CD1 3.97Å; P1160-L1205 HydrophobicContact CB-CD2 3.58Å; P1160-L1205 HydrophobicContact CB-CG 4.45Å; T1163-L1205 HydrophobicContact CG2-CD1 4.01Å; I1164-L1205 HydrophobicContact CD1-CB 4.43Å; I1164-L1205 HydrophobicContact CG1-CB 4.33Å; H1201-L1205 WeakPolarHBondContact O-CB 3.2Å; H1201-L1205 PolarHBondContact O-N 3.11Å; H1201-L1205 VanDerWaalsContact O-N 3.12Å; M1202-L1205 PolarHBondContact O-N 2.87Å; L1205-F1208 PolarHBondContact O-N 3.49Å; L1205-Q1209 HydrophobicContact CD1-CG 4.44Å; L1205-Q1209 WeakPolarHBondContact O-CG 3.47Å; L1205-Q1209 PolarHBondContact O-N 2.88Å; L1205-W1272 HydrophobicContact CD2-CZ3 4.33Å; L1205-V1655 HydrophobicContact CD2-CG1 3.8Å
1206	R	91.3	Very high	89.5	Confident	25 Å²	25	28.2 Å²	28.2	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-74	-34.2	-177.7	-78.2	174.4	159.1	-165.5	-9.7	113.4	L1193 S1195 M1202 V1203 F1208 Q1209 F1210 F1653	L1193-R1206 HydrophobicContact CD2-CB 4.33Å; L1193-R1206 WeakPolarHBondContact O-CD 3.45Å; L1193-R1206 PolarHBondContact O-NH1 3.45Å; S1195-R1206 VanDerWaalsContact CB-NH1 3.31Å; S1195-R1206 PolarHBondContact OG-NH1 3.28Å; M1202-R1206 WeakPolarHBondContact O-CB 3.48Å; M1202-R1206 PolarHBondContact O-N 3.29Å; M1202-R1206 WeakPolarHBondContact SD-CD 3.45Å; M1202-R1206 HydrophobicContact SD-CG 3.84Å; M1202-R1206 PolarHBondContact SD-NE 2.99Å; M1202-R1206 VanDerWaalsContact SD-NE 3.43Å; V1203-R1206 PolarHBondContact O-N 2.78Å; R1206-F1208 VanDerWaalsContact C-N 3.28Å; R1206-F1208 PolarHBondContact O-N 3.41Å; R1206-Q1209 PolarHBondContact O-N 2.77Å; R1206-F1210 WeakPolarHBondContact O-CB 3.32Å; R1206-F1210 WeakPolarHBondContact O-CG 3.24Å; R1206-F1210 PolarHBondContact O-N 3.31Å; R1206-F1653 PolarHBondContact NH2-O 3.12Å; R1206-F1653 VanDerWaalsContact NH2-O 3.09Å
1207	A	91.5	Very high	90	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.9	-46.2	170.1	0	0	0	0	0	110.6	F1174 L1193 V1203 W1211 I1229 F1234	F1174-A1207 HydrophobicContact CE2-CB 4.02Å; F1174-A1207 HydrophobicContact CZ-CB 3.76Å; L1193-A1207 HydrophobicContact CD1-CB 4.48Å; V1203-A1207 VanDerWaalsContact O-CB 3.22Å; V1203-A1207 WeakPolarHBondContact O-CB 3.03Å; V1203-A1207 PolarHBondContact O-N 3.25Å; A1207-W1211 WeakPolarHBondContact O-CB 3.28Å; A1207-W1211 PolarHBondContact O-N 3.27Å; A1207-I1229 HydrophobicContact CB-CD1 3.82Å; A1207-F1234 HydrophobicContact CB-CE2 4.42Å; A1207-F1234 HydrophobicContact CB-CZ 3.85Å
1208	F	92.3	Very high	89.9	Confident	3 Å²	3	30.7 Å²	30.7	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-46.5	175.3	-177.5	-99	0	0	0	112.5	T1163 L1204 L1205 R1206 F1210 W1211 Q1212 F1234 I1237 I1238	T1163-F1208 HydrophobicContact CG2-CB 4.02Å; T1163-F1208 HydrophobicContact CG2-CD1 3.45Å; T1163-F1208 VanDerWaalsContact CG2-CD1 3.45Å; T1163-F1208 HydrophobicContact CG2-CD2 4.41Å; T1163-F1208 HydrophobicContact CG2-CE1 3.9Å; T1163-F1208 HydrophobicContact CG2-CG 3.72Å; L1204-F1208 PolarHBondContact O-N 2.9Å; L1205-F1208 PolarHBondContact O-N 3.49Å; R1206-F1208 VanDerWaalsContact C-N 3.28Å; R1206-F1208 PolarHBondContact O-N 3.41Å; F1208-F1210 PolarHBondContact O-N 2.92Å; F1208-W1211 HydrophobicContact CD2-CE3 4.15Å; F1208-W1211 HydrophobicContact CD2-CZ3 4.24Å; F1208-W1211 HydrophobicContact CE2-CE3 4.32Å; F1208-W1211 AromaticContact CE2-CZ3 3.96Å; F1208-W1211 HydrophobicContact CE2-CZ3 3.96Å; F1208-W1211 PolarHBondContact O-N 3.01Å; F1208-Q1212 HydrophobicContact CD1-CG 4.37Å; F1208-Q1212 VanDerWaalsContact CE1-CD 3.43Å; F1208-Q1212 HydrophobicContact CE1-CG 4.14Å; F1208-Q1212 VanDerWaalsContact CE1-NE2 3.31Å; F1208-Q1212 HydrophobicContact CZ-CG 4.25Å; F1208-Q1212 WeakPolarHBondContact O-CB 3.33Å; F1208-Q1212 WeakPolarHBondContact O-CG 3.39Å; F1208-Q1212 PolarHBondContact O-N 3.11Å; F1208-F1234 HydrophobicContact CB-CD1 4.42Å; F1208-F1234 HydrophobicContact CB-CE1 3.8Å; F1208-F1234 HydrophobicContact CB-CZ 3.92Å; F1208-F1234 HydrophobicContact CD2-CB 4.49Å; F1208-F1234 AromaticContact CD2-CD1 3.61Å; F1208-F1234 HydrophobicContact CD2-CD1 3.61Å; F1208-F1234 AromaticContact CD2-CE1 3.86Å; F1208-F1234 HydrophobicContact CD2-CE1 3.86Å; F1208-F1234 HydrophobicContact CD2-CG 4.11Å; F1208-F1234 HydrophobicContact CE2-CD1 4.44Å; F1208-F1234 HydrophobicContact CG-CE1 4.34Å; F1208-F1234 VanDerWaalsContact N-CZ 3.34Å; F1208-I1237 HydrophobicContact CD2-CG2 4.18Å; F1208-I1237 HydrophobicContact CE2-CB 4.48Å; F1208-I1237 HydrophobicContact CE2-CG2 3.79Å; F1208-I1237 HydrophobicContact CZ-CG2 4.47Å; F1208-I1238 HydrophobicContact CE2-CG1 4Å; F1208-I1238 HydrophobicContact CZ-CG1 3.98Å
1209	Q	90	Very high	89.9	Confident	24 Å²	24	31.5 Å²	31.5	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-42.8	178.9	-73.5	178.4	-51.2	0	0	112.8	L1205 R1206 K1213 G1654	L1205-Q1209 HydrophobicContact CD1-CG 4.44Å; L1205-Q1209 WeakPolarHBondContact O-CG 3.47Å; L1205-Q1209 PolarHBondContact O-N 2.88Å; R1206-Q1209 PolarHBondContact O-N 2.77Å; Q1209-K1213 PolarHBondContact O-N 3.04Å; Q1209-G1654 PolarHBondContact NE2-O 3.12Å
1210	F	90.3	Very high	89.6	Confident	63 Å²	63	33 Å²	33	28%	0.276	17%	0.172	S	C	.	.	H	α-helix	trans	-75.5	-35.7	179.1	-67.2	-16.4	0	0	0	112.5	L1193 R1206 F1208 K1213 S1214 F1223 M1662	L1193-F1210 HydrophobicContact CD2-CD2 3.64Å; L1193-F1210 HydrophobicContact CD2-CE2 3.68Å; R1206-F1210 WeakPolarHBondContact O-CB 3.32Å; R1206-F1210 WeakPolarHBondContact O-CG 3.24Å; R1206-F1210 PolarHBondContact O-N 3.31Å; F1208-F1210 PolarHBondContact O-N 2.92Å; F1210-K1213 WeakPolarHBondContact O-CB 3.4Å; F1210-K1213 PolarHBondContact O-N 3.37Å; F1210-S1214 PolarHBondContact O-N 3.11Å; F1210-S1214 PolarHBondContact O-OG 3.42Å; F1210-F1223 HydrophobicContact CB-CE1 4.49Å; F1210-F1223 HydrophobicContact CB-CE2 3.6Å; F1210-F1223 HydrophobicContact CB-CZ 3.53Å; F1210-M1662 HydrophobicContact CE1-CE 4.41Å
1211	W	92.4	Very high	88.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-50.8	168.7	169.3	75.6	0	0	0	111.1	A1207 F1208 K1213 S1214 R1215 E1220 F1223 F1234 E1235 I1238	A1207-W1211 WeakPolarHBondContact O-CB 3.28Å; A1207-W1211 PolarHBondContact O-N 3.27Å; F1208-W1211 HydrophobicContact CD2-CE3 4.15Å; F1208-W1211 HydrophobicContact CD2-CZ3 4.24Å; F1208-W1211 HydrophobicContact CE2-CE3 4.32Å; F1208-W1211 AromaticContact CE2-CZ3 3.96Å; F1208-W1211 HydrophobicContact CE2-CZ3 3.96Å; F1208-W1211 PolarHBondContact O-N 3.01Å; W1211-K1213 VanDerWaalsContact C-N 3.26Å; W1211-K1213 PolarHBondContact O-N 2.73Å; W1211-S1214 PolarHBondContact O-N 3.29Å; W1211-S1214 VanDerWaalsContact O-N 3.12Å; W1211-S1214 PolarHBondContact O-OG 3.02Å; W1211-R1215 WeakPolarHBondContact O-CB 3.41Å; W1211-R1215 PolarHBondContact O-N 3.11Å; W1211-E1220 PolarHBondContact NE1-OE1 2.85Å; W1211-F1223 HydrophobicContact CB-CD1 4.13Å; W1211-F1223 HydrophobicContact CB-CE1 3.75Å; W1211-F1234 HydrophobicContact CB-CD2 3.7Å; W1211-F1234 HydrophobicContact CB-CE2 3.67Å; W1211-F1234 HydrophobicContact CD2-CB 3.71Å; W1211-F1234 AromaticContact CD2-CD2 3.49Å; W1211-F1234 HydrophobicContact CD2-CD2 3.49Å; W1211-F1234 VanDerWaalsContact CD2-CD2 3.49Å; W1211-F1234 HydrophobicContact CD2-CE2 4.35Å; W1211-F1234 AromaticContact CD2-CG 3.97Å; W1211-F1234 HydrophobicContact CD2-CG 3.97Å; W1211-F1234 HydrophobicContact CE3-CB 3.59Å; W1211-F1234 AromaticContact CE3-CD2 3.79Å; W1211-F1234 HydrophobicContact CE3-CD2 3.79Å; W1211-F1234 AromaticContact CE3-CG 3.88Å; W1211-F1234 HydrophobicContact CE3-CG 3.88Å; W1211-F1234 AromaticContact CG-CD2 3.44Å; W1211-F1234 HydrophobicContact CG-CD2 3.44Å; W1211-F1234 VanDerWaalsContact CG-CD2 3.44Å; W1211-F1234 AromaticContact CG-CE2 3.96Å; W1211-F1234 HydrophobicContact CG-CE2 3.96Å; W1211-F1234 HydrophobicContact CG-CG 4.37Å; W1211-F1234 HydrophobicContact CH2-CB 3.63Å; W1211-F1234 HydrophobicContact CZ2-CB 3.76Å; W1211-F1234 HydrophobicContact CZ3-CB 3.54Å; W1211-F1234 HydrophobicContact CZ3-CG 4.29Å; W1211-E1235 VanDerWaalsContact CH2-OE1 3.3Å; W1211-E1235 WeakPolarHBondContact CH2-OE1 3.26Å; W1211-E1235 HydrophobicContact CZ2-CG 4.34Å; W1211-E1235 WeakPolarHBondContact CZ2-OE1 3.41Å; W1211-I1238 HydrophobicContact CH2-CD1 3.59Å; W1211-I1238 HydrophobicContact CH2-CG1 4.24Å; W1211-I1238 HydrophobicContact CZ3-CD1 3.62Å; W1211-I1238 HydrophobicContact CZ3-CG1 4.09Å
1212	Q	88.7	Confident	88.5	Confident	60 Å²	60	41 Å²	41	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-56.6	-38.9	175.4	-76.7	-163.6	-26.9	0	0	112.6	F1208 S1216	F1208-Q1212 HydrophobicContact CD1-CG 4.37Å; F1208-Q1212 VanDerWaalsContact CE1-CD 3.43Å; F1208-Q1212 HydrophobicContact CE1-CG 4.14Å; F1208-Q1212 VanDerWaalsContact CE1-NE2 3.31Å; F1208-Q1212 HydrophobicContact CZ-CG 4.25Å; F1208-Q1212 WeakPolarHBondContact O-CB 3.33Å; F1208-Q1212 WeakPolarHBondContact O-CG 3.39Å; F1208-Q1212 PolarHBondContact O-N 3.11Å; Q1212-S1216 PolarHBondContact O-N 3.36Å; Q1212-S1216 PolarHBondContact O-OG 3.36Å
1213	K	85.5	Confident	88.3	Confident	34 Å²	34	41.1 Å²	41.1	15%	0.148	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-54.1	173.8	-168	-166.1	179.9	-138.1	0	111	Q1209 F1210 W1211 R1215 S1216 E1217	Q1209-K1213 PolarHBondContact O-N 3.04Å; F1210-K1213 WeakPolarHBondContact O-CB 3.4Å; F1210-K1213 PolarHBondContact O-N 3.37Å; W1211-K1213 VanDerWaalsContact C-N 3.26Å; W1211-K1213 PolarHBondContact O-N 2.73Å; K1213-R1215 VanDerWaalsContact C-N 3.25Å; K1213-R1215 PolarHBondContact O-N 3.33Å; K1213-S1216 PolarHBondContact O-N 3.42Å; K1213-S1216 PolarHBondContact O-OG 3.17Å; K1213-E1217 VanDerWaalsContact CE-CD 3.41Å; K1213-E1217 WeakPolarHBondContact CE-OE1 3.41Å; K1213-E1217 VanDerWaalsContact CE-OE2 3.23Å; K1213-E1217 WeakPolarHBondContact CE-OE2 3.39Å; K1213-E1217 IonicContact NZ-OE1 3.91Å; K1213-E1217 PolarHBondContact NZ-OE1 3.5Å; K1213-E1217 IonicContact NZ-OE2 3.57Å; K1213-E1217 PolarHBondContact NZ-OE2 3.19Å; K1213-E1217 PolarHBondContact O-N 3.5Å
1214	S	89.6	Confident	88.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-36.1	-179	73.1	0	0	0	0	112.7	F1210 W1211 E1217 G1218 W1219 E1220 F1223	F1210-S1214 PolarHBondContact O-N 3.11Å; F1210-S1214 PolarHBondContact O-OG 3.42Å; W1211-S1214 PolarHBondContact O-N 3.29Å; W1211-S1214 VanDerWaalsContact O-N 3.12Å; W1211-S1214 PolarHBondContact O-OG 3.02Å; S1214-E1217 CarbonylContact O-C 3.57Å; S1214-E1217 PolarHBondContact O-N 2.99Å; S1214-G1218 PolarHBondContact O-N 2.7Å; S1214-W1219 PolarHBondContact O-N 2.96Å; S1214-E1220 PolarHBondContact O-N 3.25Å; S1214-F1223 WeakPolarHBondContact OG-CB 3.33Å
1215	R	85.4	Confident	87.7	Confident	104 Å²	104	48.1 Å²	48.1	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-44.7	172	-179.1	170.8	-176.8	104.2	-17.4	112.7	W1211 K1213 E1217 G1218 E1220 E1235	W1211-R1215 WeakPolarHBondContact O-CB 3.41Å; W1211-R1215 PolarHBondContact O-N 3.11Å; K1213-R1215 VanDerWaalsContact C-N 3.25Å; K1213-R1215 PolarHBondContact O-N 3.33Å; R1215-E1217 PolarHBondContact O-N 3.15Å; R1215-G1218 PolarHBondContact O-N 3.19Å; R1215-E1220 HydrophobicContact CB-CB 4.44Å; R1215-E1220 HydrophobicContact CB-CG 4.21Å; R1215-E1220 WeakPolarHBondContact CB-OE2 3.42Å; R1215-E1220 VanDerWaalsContact CD-OE2 3.26Å; R1215-E1220 WeakPolarHBondContact CD-OE2 3.44Å; R1215-E1220 WeakPolarHBondContact CG-OE2 3.16Å; R1215-E1220 IonicContact CZ-OE2 2.68Å; R1215-E1220 IonicContact NE-OE2 3.4Å; R1215-E1220 IonicContact NH1-OE1 3.51Å; R1215-E1220 IonicContact NH1-OE2 2.82Å; R1215-E1220 PolarHBondContact NH1-OE2 2.96Å; R1215-E1235 IonicContact CZ-OE1 3.59Å; R1215-E1235 IonicContact CZ-OE2 2.74Å; R1215-E1235 IonicContact NE-OE1 2.78Å; R1215-E1235 IonicContact NH1-OE1 2.69Å; R1215-E1235 IonicContact NH1-OE2 3.69Å; R1215-E1235 IonicContact NH2-OE1 3.87Å; R1215-E1235 PolarHBondContact NH2-OE1 3.49Å; R1215-E1235 IonicContact NH2-OE2 3.45Å; R1215-E1235 PolarHBondContact NH2-OE2 2.91Å
1216	S	82.9	Confident	87.4	Confident	92 Å²	92	54.6 Å²	54.6	64%	0.643	28%	0.281	S	S	*	.	H	α-helix	trans	-69.1	-20.8	176.4	69.5	0	0	0	0	114.2	Q1212 K1213	Q1212-S1216 PolarHBondContact O-N 3.36Å; Q1212-S1216 PolarHBondContact O-OG 3.36Å; K1213-S1216 PolarHBondContact O-N 3.42Å; K1213-S1216 PolarHBondContact O-OG 3.17Å
1217	E	89.1	Confident	87.3	Confident	88 Å²	88	54.1 Å²	54.1	41%	0.411	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	0.2	179.9	-69	178.7	162.9	0	0	113.1	K1213 S1214 R1215 W1219	K1213-E1217 VanDerWaalsContact CE-CD 3.41Å; K1213-E1217 WeakPolarHBondContact CE-OE1 3.41Å; K1213-E1217 VanDerWaalsContact CE-OE2 3.23Å; K1213-E1217 WeakPolarHBondContact CE-OE2 3.39Å; K1213-E1217 IonicContact NZ-OE1 3.91Å; K1213-E1217 PolarHBondContact NZ-OE1 3.5Å; K1213-E1217 IonicContact NZ-OE2 3.57Å; K1213-E1217 PolarHBondContact NZ-OE2 3.19Å; K1213-E1217 PolarHBondContact O-N 3.5Å; S1214-E1217 CarbonylContact O-C 3.57Å; S1214-E1217 PolarHBondContact O-N 2.99Å; R1215-E1217 PolarHBondContact O-N 3.15Å; E1217-W1219 VanDerWaalsContact CB-CD1 3.41Å; E1217-W1219 VanDerWaalsContact CB-NE1 3.27Å; E1217-W1219 PolarHBondContact OE2-NE1 3.22Å
1218	G	82.2	Confident	87	Confident	71 Å²	71	56 Å²	56	73%	0.732	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	6.4	173.1	0	0	0	0	0	117.2	S1214 R1215	S1214-G1218 PolarHBondContact O-N 2.7Å; R1215-G1218 PolarHBondContact O-N 3.19Å
1219	W	89.1	Confident	86.8	Confident	96 Å²	96	56.1 Å²	56.1	36%	0.364	29%	0.288	S	S	.	.			trans	-109	24	-176.6	56.3	-78	0	0	0	114.5	S1214 E1217 K1221 A1222 F1223	S1214-W1219 PolarHBondContact O-N 2.96Å; E1217-W1219 VanDerWaalsContact CB-CD1 3.41Å; E1217-W1219 VanDerWaalsContact CB-NE1 3.27Å; E1217-W1219 PolarHBondContact OE2-NE1 3.22Å; W1219-K1221 PolarHBondContact O-N 3.39Å; W1219-A1222 PolarHBondContact O-N 2.84Å; W1219-F1223 HydrophobicContact CE3-CB 4.02Å; W1219-F1223 HydrophobicContact CH2-CD2 4.41Å; W1219-F1223 HydrophobicContact CZ3-CB 4.13Å; W1219-F1223 AromaticContact CZ3-CD2 3.99Å; W1219-F1223 HydrophobicContact CZ3-CD2 3.99Å; W1219-F1223 PolarHBondContact O-N 3.42Å
1220	E	84.8	Confident	86.4	Confident	31 Å²	31	55.4 Å²	55.4	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-55.2	-47.3	-176.3	-160.2	-171.9	142	0	0	114.1	W1211 S1214 R1215 A1222 F1223 C1224 S1231	W1211-E1220 PolarHBondContact NE1-OE1 2.85Å; S1214-E1220 PolarHBondContact O-N 3.25Å; R1215-E1220 HydrophobicContact CB-CB 4.44Å; R1215-E1220 HydrophobicContact CB-CG 4.21Å; R1215-E1220 WeakPolarHBondContact CB-OE2 3.42Å; R1215-E1220 VanDerWaalsContact CD-OE2 3.26Å; R1215-E1220 WeakPolarHBondContact CD-OE2 3.44Å; R1215-E1220 WeakPolarHBondContact CG-OE2 3.16Å; R1215-E1220 IonicContact CZ-OE2 2.68Å; R1215-E1220 IonicContact NE-OE2 3.4Å; R1215-E1220 IonicContact NH1-OE1 3.51Å; R1215-E1220 IonicContact NH1-OE2 2.82Å; R1215-E1220 PolarHBondContact NH1-OE2 2.96Å; E1220-A1222 VanDerWaalsContact C-N 3.3Å; E1220-A1222 PolarHBondContact O-N 3.12Å; E1220-F1223 PolarHBondContact O-N 3.12Å; E1220-C1224 WeakPolarHBondContact O-CB 3.22Å; E1220-C1224 PolarHBondContact O-N 2.92Å; E1220-S1231 VanDerWaalsContact OE1-CB 3.29Å; E1220-S1231 WeakPolarHBondContact OE1-CB 3.45Å; E1220-S1231 PolarHBondContact OE1-OG 3.03Å
1221	K	79.5	Confident	86	Confident	114 Å²	114	54.1 Å²	54.1	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-56.9	-44	-178.7	-168.2	172.1	-179.7	178.5	0	110.9	D948 W1219 Q1225	D948-K1221 IonicContact OD1-NZ 3.6Å; D948-K1221 PolarHBondContact OD1-NZ 2.98Å; D948-K1221 IonicContact OD2-NZ 2.66Å; W1219-K1221 PolarHBondContact O-N 3.39Å; K1221-Q1225 WeakPolarHBondContact O-CB 3.27Å; K1221-Q1225 VanDerWaalsContact O-CG 3.23Å; K1221-Q1225 WeakPolarHBondContact O-CG 3.48Å; K1221-Q1225 PolarHBondContact O-N 3.5Å; K1221-Q1225 VanDerWaalsContact O-N 3.11Å; K1221-Q1225 PolarHBondContact O-OE1 2.74Å
1222	A	83.7	Confident	85.1	Confident	55 Å²	55	54.8 Å²	54.8	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-71.7	-38.5	178.5	0	0	0	0	0	113.1	W1219 E1220 K1226	W1219-A1222 PolarHBondContact O-N 2.84Å; E1220-A1222 VanDerWaalsContact C-N 3.3Å; E1220-A1222 PolarHBondContact O-N 3.12Å; A1222-K1226 WeakPolarHBondContact O-CB 3.28Å; A1222-K1226 PolarHBondContact O-N 3.02Å
1223	F	89.6	Confident	84.4	Confident	2 Å²	2	52 Å²	52	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-49.9	174.7	177.3	-92.1	0	0	0	111.4	F1210 W1211 S1214 W1219 E1220 Q1225 K1226 H1227 I1229	F1210-F1223 HydrophobicContact CB-CE1 4.49Å; F1210-F1223 HydrophobicContact CB-CE2 3.6Å; F1210-F1223 HydrophobicContact CB-CZ 3.53Å; W1211-F1223 HydrophobicContact CB-CD1 4.13Å; W1211-F1223 HydrophobicContact CB-CE1 3.75Å; S1214-F1223 WeakPolarHBondContact OG-CB 3.33Å; W1219-F1223 HydrophobicContact CE3-CB 4.02Å; W1219-F1223 HydrophobicContact CH2-CD2 4.41Å; W1219-F1223 HydrophobicContact CZ3-CB 4.13Å; W1219-F1223 AromaticContact CZ3-CD2 3.99Å; W1219-F1223 HydrophobicContact CZ3-CD2 3.99Å; W1219-F1223 PolarHBondContact O-N 3.42Å; E1220-F1223 PolarHBondContact O-N 3.12Å; F1223-Q1225 VanDerWaalsContact C-N 3.33Å; F1223-Q1225 PolarHBondContact O-N 2.99Å; F1223-K1226 PolarHBondContact O-N 3.21Å; F1223-H1227 AromaticContact CD2-CD2 3.38Å; F1223-H1227 WeakPolarHBondContact CD2-CD2 3.44Å; F1223-H1227 AromaticContact CD2-NE2 3.84Å; F1223-H1227 HydrophobicContact CE1-CB 4.46Å; F1223-H1227 AromaticContact CE2-CD2 3.25Å; F1223-H1227 WeakPolarHBondContact CE2-CD2 3.49Å; F1223-H1227 AromaticContact CE2-CG 3.85Å; F1223-H1227 AromaticContact CE2-NE2 3.57Å; F1223-H1227 HydrophobicContact CZ-CB 4.28Å; F1223-H1227 AromaticContact CZ-CD2 3.83Å; F1223-H1227 AromaticContact CZ-CG 3.99Å; F1223-H1227 WeakPolarHBondContact O-CB 3.43Å; F1223-H1227 PolarHBondContact O-CD2 2.9Å; F1223-H1227 PolarHBondContact O-N 3.38Å; F1223-I1229 HydrophobicContact CE1-CD1 3.7Å; F1223-I1229 HydrophobicContact CZ-CD1 4.06Å
1224	C	86.7	Confident	84.4	Confident	16 Å²	16	50.3 Å²	50.3	11%	0.108	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-40.9	178.8	-75	0	0	0	0	112.6	E1220 F1228 I1229	E1220-C1224 WeakPolarHBondContact O-CB 3.22Å; E1220-C1224 PolarHBondContact O-N 2.92Å; C1224-F1228 PolarHBondContact O-N 3.41Å; C1224-F1228 VanDerWaalsContact O-N 3.14Å; C1224-I1229 WeakPolarHBondContact CB-O 3.36Å; C1224-I1229 PolarHBondContact O-N 3.01Å
1225	Q	84.5	Confident	83.9	Confident	132 Å²	132	53 Å²	53	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-64.2	-52.6	174	-74.7	171.1	-32.6	0	0	112	K1221 F1223 H1227 F1228	K1221-Q1225 WeakPolarHBondContact O-CB 3.27Å; K1221-Q1225 VanDerWaalsContact O-CG 3.23Å; K1221-Q1225 WeakPolarHBondContact O-CG 3.48Å; K1221-Q1225 PolarHBondContact O-N 3.5Å; K1221-Q1225 VanDerWaalsContact O-N 3.11Å; K1221-Q1225 PolarHBondContact O-OE1 2.74Å; F1223-Q1225 VanDerWaalsContact C-N 3.33Å; F1223-Q1225 PolarHBondContact O-N 2.99Å; Q1225-H1227 VanDerWaalsContact C-N 3.3Å; Q1225-H1227 PolarHBondContact O-N 3Å; Q1225-F1228 PolarHBondContact O-N 3.41Å
1226	K	87.8	Confident	83.1	Confident	137 Å²	137	48.2 Å²	48.2	60%	0.596	27%	0.265	S	S	*	.	H	α-helix	trans	-64.1	-31.7	-177.3	-179.3	168.6	-179.3	169.8	0	113.5	I1189 A1222 F1223	I1189-K1226 VanDerWaalsContact CD1-O 3.23Å; I1189-K1226 WeakPolarHBondContact CD1-O 3.3Å; A1222-K1226 WeakPolarHBondContact O-CB 3.28Å; A1222-K1226 PolarHBondContact O-N 3.02Å; F1223-K1226 PolarHBondContact O-N 3.21Å
1227	H	87.7	Confident	82.9	Confident	15 Å²	15	43.9 Å²	43.9	7%	0.069	23%	0.234	C	C	.	.	H	α-helix	trans	-101.8	4.5	-176.2	-69.7	-82.5	0	0	0	114.5	I1189 F1223 Q1225 I1229	I1189-H1227 HydrophobicContact CG2-CB 4.38Å; I1189-H1227 WeakPolarHBondContact CG2-ND1 3.21Å; F1223-H1227 AromaticContact CD2-CD2 3.38Å; F1223-H1227 WeakPolarHBondContact CD2-CD2 3.44Å; F1223-H1227 AromaticContact CD2-NE2 3.84Å; F1223-H1227 HydrophobicContact CE1-CB 4.46Å; F1223-H1227 AromaticContact CE2-CD2 3.25Å; F1223-H1227 WeakPolarHBondContact CE2-CD2 3.49Å; F1223-H1227 AromaticContact CE2-CG 3.85Å; F1223-H1227 AromaticContact CE2-NE2 3.57Å; F1223-H1227 HydrophobicContact CZ-CB 4.28Å; F1223-H1227 AromaticContact CZ-CD2 3.83Å; F1223-H1227 AromaticContact CZ-CG 3.99Å; F1223-H1227 WeakPolarHBondContact O-CB 3.43Å; F1223-H1227 PolarHBondContact O-CD2 2.9Å; F1223-H1227 PolarHBondContact O-N 3.38Å; Q1225-H1227 VanDerWaalsContact C-N 3.3Å; Q1225-H1227 PolarHBondContact O-N 3Å; H1227-I1229 HydrophobicContact CB-CD1 3.72Å; H1227-I1229 HydrophobicContact CB-CG1 4.18Å
1228	F	86.4	Confident	82.6	Confident	39 Å²	39	42.1 Å²	42.1	17%	0.171	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	52.5	-175.3	-50.6	-83.3	0	0	0	112.6	F1174 I1175 P1177 E1182 D1185 L1186 I1189 C1224 Q1225	F1174-F1228 WeakPolarHBondContact CA-O 3.31Å; I1175-F1228 HydrophobicContact CB-CB 4.4Å; I1175-F1228 WeakPolarHBondContact CB-O 3.43Å; I1175-F1228 PolarHBondContact N-O 2.61Å; I1175-F1228 WeakPolarHBondContact O-CB 3.4Å; P1177-F1228 HydrophobicContact CG-CD1 3.75Å; P1177-F1228 HydrophobicContact CG-CE1 3.65Å; P1177-F1228 HydrophobicContact CG-CG 4.32Å; P1177-F1228 HydrophobicContact CG-CZ 4.14Å; E1182-F1228 HydrophobicContact CB-CE1 4.13Å; E1182-F1228 HydrophobicContact CB-CZ 3.92Å; E1182-F1228 HydrophobicContact CG-CE1 4.44Å; E1182-F1228 HydrophobicContact CG-CZ 4.32Å; D1185-F1228 HydrophobicContact CB-CE2 4.39Å; L1186-F1228 HydrophobicContact CB-CD2 3.94Å; L1186-F1228 HydrophobicContact CB-CE2 4.16Å; L1186-F1228 HydrophobicContact CD1-CB 4.35Å; L1186-F1228 HydrophobicContact CD1-CD2 4.24Å; I1189-F1228 HydrophobicContact CD1-CD2 3.94Å; I1189-F1228 HydrophobicContact CD1-CE2 3.83Å; C1224-F1228 PolarHBondContact O-N 3.41Å; C1224-F1228 VanDerWaalsContact O-N 3.14Å; Q1225-F1228 PolarHBondContact O-N 3.41Å
1229	I	86.8	Confident	82.1	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.026	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-117.3	131.8	-172.7	-80.5	169.8	0	0	0	112	P1173 F1174 A1207 F1223 C1224 H1227 S1231 F1234	P1173-I1229 CarbonylContact O-C 3.3Å; P1173-I1229 WeakPolarHBondContact O-CA 3.3Å; F1174-I1229 HydrophobicContact CD1-CG1 4.07Å; F1174-I1229 HydrophobicContact CE1-CD1 4.09Å; F1174-I1229 HydrophobicContact CE1-CG1 3.92Å; F1174-I1229 HydrophobicContact CZ-CD1 4.37Å; F1174-I1229 HydrophobicContact CZ-CG1 4.48Å; A1207-I1229 HydrophobicContact CB-CD1 3.82Å; F1223-I1229 HydrophobicContact CE1-CD1 3.7Å; F1223-I1229 HydrophobicContact CZ-CD1 4.06Å; C1224-I1229 WeakPolarHBondContact CB-O 3.36Å; C1224-I1229 PolarHBondContact O-N 3.01Å; H1227-I1229 HydrophobicContact CB-CD1 3.72Å; H1227-I1229 HydrophobicContact CB-CG1 4.18Å; I1229-S1231 PolarHBondContact O-N 3.44Å; I1229-F1234 HydrophobicContact CD1-CE2 4.4Å; I1229-F1234 HydrophobicContact CG2-CD2 3.71Å; I1229-F1234 HydrophobicContact CG2-CE2 3.45Å; I1229-F1234 VanDerWaalsContact CG2-CE2 3.45Å; I1229-F1234 HydrophobicContact CG2-CZ 4.47Å
1230	S	81.2	Confident	81.3	Confident	10 Å²	10	36.9 Å²	36.9	7%	0.07	20%	0.195	C	C	.	.			trans	-79.2	105.4	171.8	-176.3	0	0	0	0	111.7	E937 P1173 A1232 T1233 F1234	E937-S1230 WeakPolarHBondContact OE1-CB 3.34Å; E937-S1230 PolarHBondContact OE1-OG 3.25Å; P1173-S1230 PolarHBondContact O-N 3.05Å; S1230-A1232 VanDerWaalsContact C-N 3.26Å; S1230-A1232 PolarHBondContact O-N 3.42Å; S1230-T1233 PolarHBondContact O-N 3.48Å; S1230-T1233 PolarHBondContact OG-N 3.35Å; S1230-T1233 PolarHBondContact OG-OG1 3.46Å; S1230-F1234 PolarHBondContact O-N 2.82Å
1231	S	82.9	Confident	81.4	Confident	36 Å²	36	37.1 Å²	37.1	25%	0.252	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-40	170.2	166.7	0	0	0	0	111.7	E1220 I1229 T1233 F1234 E1235	E1220-S1231 VanDerWaalsContact OE1-CB 3.29Å; E1220-S1231 WeakPolarHBondContact OE1-CB 3.45Å; E1220-S1231 PolarHBondContact OE1-OG 3.03Å; I1229-S1231 PolarHBondContact O-N 3.44Å; S1231-T1233 VanDerWaalsContact C-N 3.32Å; S1231-T1233 PolarHBondContact O-N 2.84Å; S1231-F1234 PolarHBondContact O-N 2.88Å; S1231-F1234 VanDerWaalsContact O-N 3.13Å; S1231-E1235 PolarHBondContact O-N 3.35Å
1232	A	72.7	Confident	81.4	Confident	13 Å²	13	36.1 Å²	36.1	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-45.4	178.5	0	0	0	0	0	112.2	E937 M940 S1230 F1234 E1235 V1236	E937-A1232 HydrophobicContact CG-CB 4.46Å; M940-A1232 HydrophobicContact CB-CB 3.45Å; M940-A1232 VanDerWaalsContact CB-CB 3.45Å; M940-A1232 HydrophobicContact CG-CB 3.74Å; S1230-A1232 VanDerWaalsContact C-N 3.26Å; S1230-A1232 PolarHBondContact O-N 3.42Å; A1232-F1234 VanDerWaalsContact C-N 3.35Å; A1232-F1234 PolarHBondContact O-N 2.94Å; A1232-E1235 PolarHBondContact O-N 3.02Å; A1232-V1236 PolarHBondContact O-N 3.25Å
1233	T	74.1	Confident	81	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-40.2	177.9	-68.7	0	0	0	0	111.9	E937 Y1170 T1171 P1173 S1230 S1231 V1236 I1237	E937-T1233 PolarHBondContact OE1-OG1 3Å; Y1170-T1233 HydrophobicContact CD1-CG2 4.16Å; Y1170-T1233 HydrophobicContact CE1-CG2 4.16Å; T1171-T1233 HydrophobicContact CG2-CG2 3.61Å; P1173-T1233 HydrophobicContact CB-CG2 4.3Å; S1230-T1233 PolarHBondContact O-N 3.48Å; S1230-T1233 PolarHBondContact OG-N 3.35Å; S1230-T1233 PolarHBondContact OG-OG1 3.46Å; S1231-T1233 VanDerWaalsContact C-N 3.32Å; S1231-T1233 PolarHBondContact O-N 2.84Å; T1233-V1236 WeakPolarHBondContact O-CB 3.19Å; T1233-V1236 PolarHBondContact O-N 2.84Å; T1233-I1237 HydrophobicContact CG2-CD1 3.87Å; T1233-I1237 WeakPolarHBondContact O-CD1 3.44Å; T1233-I1237 WeakPolarHBondContact O-CG1 3.4Å; T1233-I1237 PolarHBondContact O-N 2.98Å; T1233-I1237 VanDerWaalsContact O-N 3.12Å
1234	F	86.2	Confident	80.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-30.7	177.4	-76.8	-34	0	0	0	114.9	P1173 A1207 F1208 W1211 I1229 S1230 S1231 A1232 V1236 I1237 I1238	P1173-F1234 HydrophobicContact CB-CD1 3.95Å; P1173-F1234 HydrophobicContact CB-CD2 4.38Å; P1173-F1234 HydrophobicContact CB-CE1 3.47Å; P1173-F1234 VanDerWaalsContact CB-CE1 3.47Å; P1173-F1234 HydrophobicContact CB-CE2 3.97Å; P1173-F1234 HydrophobicContact CB-CG 4.4Å; P1173-F1234 HydrophobicContact CB-CZ 3.48Å; P1173-F1234 VanDerWaalsContact CB-CZ 3.48Å; P1173-F1234 HydrophobicContact CG-CD1 4.48Å; P1173-F1234 HydrophobicContact CG-CE1 3.55Å; P1173-F1234 HydrophobicContact CG-CE2 4.3Å; P1173-F1234 HydrophobicContact CG-CZ 3.44Å; P1173-F1234 VanDerWaalsContact CG-CZ 3.44Å; A1207-F1234 HydrophobicContact CB-CE2 4.42Å; A1207-F1234 HydrophobicContact CB-CZ 3.85Å; F1208-F1234 HydrophobicContact CB-CD1 4.42Å; F1208-F1234 HydrophobicContact CB-CE1 3.8Å; F1208-F1234 HydrophobicContact CB-CZ 3.92Å; F1208-F1234 HydrophobicContact CD2-CB 4.49Å; F1208-F1234 AromaticContact CD2-CD1 3.61Å; F1208-F1234 HydrophobicContact CD2-CD1 3.61Å; F1208-F1234 AromaticContact CD2-CE1 3.86Å; F1208-F1234 HydrophobicContact CD2-CE1 3.86Å; F1208-F1234 HydrophobicContact CD2-CG 4.11Å; F1208-F1234 HydrophobicContact CE2-CD1 4.44Å; F1208-F1234 HydrophobicContact CG-CE1 4.34Å; F1208-F1234 VanDerWaalsContact N-CZ 3.34Å; W1211-F1234 HydrophobicContact CB-CD2 3.7Å; W1211-F1234 HydrophobicContact CB-CE2 3.67Å; W1211-F1234 HydrophobicContact CD2-CB 3.71Å; W1211-F1234 AromaticContact CD2-CD2 3.49Å; W1211-F1234 HydrophobicContact CD2-CD2 3.49Å; W1211-F1234 VanDerWaalsContact CD2-CD2 3.49Å; W1211-F1234 HydrophobicContact CD2-CE2 4.35Å; W1211-F1234 AromaticContact CD2-CG 3.97Å; W1211-F1234 HydrophobicContact CD2-CG 3.97Å; W1211-F1234 HydrophobicContact CE3-CB 3.59Å; W1211-F1234 AromaticContact CE3-CD2 3.79Å; W1211-F1234 HydrophobicContact CE3-CD2 3.79Å; W1211-F1234 AromaticContact CE3-CG 3.88Å; W1211-F1234 HydrophobicContact CE3-CG 3.88Å; W1211-F1234 AromaticContact CG-CD2 3.44Å; W1211-F1234 HydrophobicContact CG-CD2 3.44Å; W1211-F1234 VanDerWaalsContact CG-CD2 3.44Å; W1211-F1234 AromaticContact CG-CE2 3.96Å; W1211-F1234 HydrophobicContact CG-CE2 3.96Å; W1211-F1234 HydrophobicContact CG-CG 4.37Å; W1211-F1234 HydrophobicContact CH2-CB 3.63Å; W1211-F1234 HydrophobicContact CZ2-CB 3.76Å; W1211-F1234 HydrophobicContact CZ3-CB 3.54Å; W1211-F1234 HydrophobicContact CZ3-CG 4.29Å; I1229-F1234 HydrophobicContact CD1-CE2 4.4Å; I1229-F1234 HydrophobicContact CG2-CD2 3.71Å; I1229-F1234 HydrophobicContact CG2-CE2 3.45Å; I1229-F1234 VanDerWaalsContact CG2-CE2 3.45Å; I1229-F1234 HydrophobicContact CG2-CZ 4.47Å; S1230-F1234 PolarHBondContact O-N 2.82Å; S1231-F1234 PolarHBondContact O-N 2.88Å; S1231-F1234 VanDerWaalsContact O-N 3.13Å; A1232-F1234 VanDerWaalsContact C-N 3.35Å; A1232-F1234 PolarHBondContact O-N 2.94Å; F1234-V1236 VanDerWaalsContact C-N 3.32Å; F1234-V1236 PolarHBondContact O-N 2.87Å; F1234-I1237 HydrophobicContact CD1-CD1 3.74Å; F1234-I1237 HydrophobicContact CE1-CD1 4.32Å; F1234-I1237 PolarHBondContact O-N 2.69Å; F1234-I1238 PolarHBondContact O-N 2.79Å
1235	E	78.1	Confident	80.7	Confident	56 Å²	56	37.4 Å²	37.4	26%	0.262	19%	0.194	S	C	.	.	H	α-helix	trans	-61.6	-40.7	170.5	-69.2	-72.3	88.8	0	0	111.5	W1211 R1215 S1231 A1232 I1238 A1239	W1211-E1235 VanDerWaalsContact CH2-OE1 3.3Å; W1211-E1235 WeakPolarHBondContact CH2-OE1 3.26Å; W1211-E1235 HydrophobicContact CZ2-CG 4.34Å; W1211-E1235 WeakPolarHBondContact CZ2-OE1 3.41Å; R1215-E1235 IonicContact CZ-OE1 3.59Å; R1215-E1235 IonicContact CZ-OE2 2.74Å; R1215-E1235 IonicContact NE-OE1 2.78Å; R1215-E1235 IonicContact NH1-OE1 2.69Å; R1215-E1235 IonicContact NH1-OE2 3.69Å; R1215-E1235 IonicContact NH2-OE1 3.87Å; R1215-E1235 PolarHBondContact NH2-OE1 3.49Å; R1215-E1235 IonicContact NH2-OE2 3.45Å; R1215-E1235 PolarHBondContact NH2-OE2 2.91Å; S1231-E1235 PolarHBondContact O-N 3.35Å; A1232-E1235 PolarHBondContact O-N 3.02Å; E1235-I1238 PolarHBondContact O-N 2.96Å; E1235-A1239 PolarHBondContact O-N 2.55Å; E1235-A1239 VanDerWaalsContact O-N 3.15Å
1236	V	69.4	Low	80.4	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-43	174.2	179.3	0	0	0	0	111.3	Y936 Y1170 A1232 T1233 F1234 I1238 A1239 I1240	Y936-V1236 HydrophobicContact CD1-CG2 3.08Å; Y936-V1236 HydrophobicContact CE1-CG2 3.31Å; Y936-V1236 HydrophobicContact CG-CG2 3.76Å; Y1170-V1236 HydrophobicContact CD1-CB 3.86Å; Y1170-V1236 HydrophobicContact CD1-CG1 3.57Å; Y1170-V1236 HydrophobicContact CD2-CG1 4.41Å; Y1170-V1236 HydrophobicContact CE1-CB 3.55Å; Y1170-V1236 HydrophobicContact CE1-CG1 3.49Å; Y1170-V1236 VanDerWaalsContact CE1-CG1 3.49Å; Y1170-V1236 HydrophobicContact CE1-CG2 3.8Å; Y1170-V1236 HydrophobicContact CE2-CG1 4.36Å; Y1170-V1236 HydrophobicContact CG-CG1 4.06Å; A1232-V1236 PolarHBondContact O-N 3.25Å; T1233-V1236 WeakPolarHBondContact O-CB 3.19Å; T1233-V1236 PolarHBondContact O-N 2.84Å; F1234-V1236 VanDerWaalsContact C-N 3.32Å; F1234-V1236 PolarHBondContact O-N 2.87Å; V1236-I1238 VanDerWaalsContact C-N 3.31Å; V1236-I1238 PolarHBondContact O-N 2.76Å; V1236-A1239 WeakPolarHBondContact O-CB 3.14Å; V1236-A1239 PolarHBondContact O-N 3.3Å; V1236-I1240 HydrophobicContact CG1-CD1 3.96Å; V1236-I1240 HydrophobicContact CG1-CG1 4.36Å; V1236-I1240 WeakPolarHBondContact O-CG1 3.4Å; V1236-I1240 PolarHBondContact O-N 3.33Å
1237	I	78.6	Confident	80	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-37.1	178.3	-71.3	155.4	0	0	0	111	C1166 I1167 Y1170 F1208 T1233 F1234 A1239 R1241	C1166-I1237 HydrophobicContact CB-CG2 3.95Å; I1167-I1237 HydrophobicContact CB-CD1 4.4Å; I1167-I1237 HydrophobicContact CG1-CD1 3.82Å; I1167-I1237 HydrophobicContact CG1-CG1 4.4Å; I1167-I1237 HydrophobicContact CG1-CG2 4.09Å; Y1170-I1237 HydrophobicContact CD1-CG1 4.38Å; F1208-I1237 HydrophobicContact CD2-CG2 4.18Å; F1208-I1237 HydrophobicContact CE2-CB 4.48Å; F1208-I1237 HydrophobicContact CE2-CG2 3.79Å; F1208-I1237 HydrophobicContact CZ-CG2 4.47Å; T1233-I1237 HydrophobicContact CG2-CD1 3.87Å; T1233-I1237 WeakPolarHBondContact O-CD1 3.44Å; T1233-I1237 WeakPolarHBondContact O-CG1 3.4Å; T1233-I1237 PolarHBondContact O-N 2.98Å; T1233-I1237 VanDerWaalsContact O-N 3.12Å; F1234-I1237 HydrophobicContact CD1-CD1 3.74Å; F1234-I1237 HydrophobicContact CE1-CD1 4.32Å; F1234-I1237 PolarHBondContact O-N 2.69Å; I1237-A1239 VanDerWaalsContact C-N 3.34Å; I1237-A1239 PolarHBondContact O-N 3.3Å; I1237-R1241 WeakPolarHBondContact O-CB 3.43Å; I1237-R1241 PolarHBondContact O-N 2.72Å
1238	I	83.6	Confident	79.9	Confident	51 Å²	51	25.2 Å²	25.2	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-59.9	-42.7	170.1	-74.5	-173.4	0	0	0	111.4	F1208 W1211 F1234 E1235 V1236 T1242	F1208-I1238 HydrophobicContact CE2-CG1 4Å; F1208-I1238 HydrophobicContact CZ-CG1 3.98Å; W1211-I1238 HydrophobicContact CH2-CD1 3.59Å; W1211-I1238 HydrophobicContact CH2-CG1 4.24Å; W1211-I1238 HydrophobicContact CZ3-CD1 3.62Å; W1211-I1238 HydrophobicContact CZ3-CG1 4.09Å; F1234-I1238 PolarHBondContact O-N 2.79Å; E1235-I1238 PolarHBondContact O-N 2.96Å; V1236-I1238 VanDerWaalsContact C-N 3.31Å; V1236-I1238 PolarHBondContact O-N 2.76Å; I1238-T1242 WeakPolarHBondContact O-CB 3.44Å; I1238-T1242 PolarHBondContact O-N 3.3Å; I1238-T1242 PolarHBondContact O-OG1 2.99Å
1239	A	71	Confident	79.7	Confident	40 Å²	40	29.1 Å²	29.1	33%	0.331	16%	0.158	S	C	.	.	H	α-helix	trans	-64.5	-49.6	179.8	0	0	0	0	0	112	E1235 V1236 I1237 R1241 T1242 Q1243	E1235-A1239 PolarHBondContact O-N 2.55Å; E1235-A1239 VanDerWaalsContact O-N 3.15Å; V1236-A1239 WeakPolarHBondContact O-CB 3.14Å; V1236-A1239 PolarHBondContact O-N 3.3Å; I1237-A1239 VanDerWaalsContact C-N 3.34Å; I1237-A1239 PolarHBondContact O-N 3.3Å; A1239-R1241 PolarHBondContact O-N 3.34Å; A1239-T1242 PolarHBondContact O-N 2.7Å; A1239-Q1243 PolarHBondContact O-N 3.17Å
1240	I	72.2	Confident	79	Confident	18 Å²	18	30.5 Å²	30.5	9%	0.092	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-49.8	176.6	-60.2	167.5	0	0	0	110.1	C1166 Y1170 V1236 T1242 Q1243 L1244	C1166-I1240 HydrophobicContact CB-CB 4.37Å; C1166-I1240 HydrophobicContact CB-CG2 4.14Å; Y1170-I1240 HydrophobicContact CG-CD1 4.39Å; V1236-I1240 HydrophobicContact CG1-CD1 3.96Å; V1236-I1240 HydrophobicContact CG1-CG1 4.36Å; V1236-I1240 WeakPolarHBondContact O-CG1 3.4Å; V1236-I1240 PolarHBondContact O-N 3.33Å; I1240-T1242 PolarHBondContact O-N 2.86Å; I1240-Q1243 PolarHBondContact O-N 3.05Å; I1240-Q1243 VanDerWaalsContact O-N 3.15Å; I1240-L1244 WeakPolarHBondContact O-CB 3.39Å; I1240-L1244 PolarHBondContact O-N 2.88Å
1241	R	86.6	Confident	78.7	Confident	36 Å²	36	31.2 Å²	31.2	14%	0.136	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-34.6	178.5	177.9	171.8	152.7	108.7	8	112.7	D1159 L1162 T1163 C1166 I1237 A1239 L1245	D1159-R1241 PolarHBondContact O-NH1 2.97Å; D1159-R1241 IonicContact OD1-CZ 3.15Å; D1159-R1241 IonicContact OD1-NH1 3.2Å; D1159-R1241 IonicContact OD1-NH2 3.47Å; D1159-R1241 PolarHBondContact OD1-NH2 3.39Å; D1159-R1241 IonicContact OD2-CZ 3.43Å; D1159-R1241 IonicContact OD2-NH1 2.75Å; D1159-R1241 PolarHBondContact OD2-NH1 2.6Å; D1159-R1241 IonicContact OD2-NH2 3.58Å; D1159-R1241 PolarHBondContact OD2-NH2 3.46Å; D1159-R1241 VanDerWaalsContact OD2-NH2 3.16Å; L1162-R1241 HydrophobicContact CD2-CG 3.77Å; L1162-R1241 HydrophobicContact CG-CG 4.04Å; T1163-R1241 PolarHBondContact OG1-NH1 3.33Å; C1166-R1241 HydrophobicContact CB-CB 4.33Å; C1166-R1241 WeakPolarHBondContact SG-CA 3.25Å; I1237-R1241 WeakPolarHBondContact O-CB 3.43Å; I1237-R1241 PolarHBondContact O-N 2.72Å; A1239-R1241 PolarHBondContact O-N 3.34Å; R1241-L1245 VanDerWaalsContact O-CB 3.26Å; R1241-L1245 WeakPolarHBondContact O-CB 3.26Å; R1241-L1245 PolarHBondContact O-N 2.98Å
1242	T	80.7	Confident	78.5	Confident	93 Å²	93	30.9 Å²	30.9	57%	0.571	18%	0.177	S	C	*	.	H	α-helix	trans	-71.7	-43.1	177.1	-59.6	0	0	0	0	111.8	I1238 A1239 I1240 G1246	I1238-T1242 WeakPolarHBondContact O-CB 3.44Å; I1238-T1242 PolarHBondContact O-N 3.3Å; I1238-T1242 PolarHBondContact O-OG1 2.99Å; A1239-T1242 PolarHBondContact O-N 2.7Å; I1240-T1242 PolarHBondContact O-N 2.86Å; T1242-G1246 PolarHBondContact O-N 3.39Å
1243	Q	73.6	Confident	79.2	Confident	75 Å²	75	30.6 Å²	30.6	35%	0.35	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-46.5	173.8	177.2	171.9	-14	0	0	111.5	D384 P1140 A1239 I1240 G1246 Q1247	D384-Q1243 PolarHBondContact OD2-NE2 2.93Å; D384-Q1243 VanDerWaalsContact OD2-NE2 3.1Å; P1140-Q1243 HydrophobicContact CG-CG 4.46Å; A1239-Q1243 PolarHBondContact O-N 3.17Å; I1240-Q1243 PolarHBondContact O-N 3.05Å; I1240-Q1243 VanDerWaalsContact O-N 3.15Å; Q1243-G1246 CarbonylContact O-C 3.56Å; Q1243-G1246 WeakPolarHBondContact O-CA 3.23Å; Q1243-G1246 PolarHBondContact O-N 3.24Å; Q1243-G1246 VanDerWaalsContact O-N 3.16Å; Q1243-Q1247 PolarHBondContact O-N 3.24Å
1244	L	83.4	Confident	79.8	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-40	-178.6	-170.4	61	0	0	0	112.3	M1139 P1140 I1141 L1162 I1240 G1246 Q1247 L1248	M1139-L1244 HydrophobicContact CE-CD1 3.62Å; M1139-L1244 HydrophobicContact CE-CG 4.4Å; M1139-L1244 HydrophobicContact SD-CD1 4.02Å; P1140-L1244 HydrophobicContact CG-CD1 4.16Å; I1141-L1244 HydrophobicContact CD1-CD1 4.13Å; I1141-L1244 HydrophobicContact CD1-CD2 3.81Å; I1141-L1244 HydrophobicContact CG1-CD1 4.28Å; I1141-L1244 HydrophobicContact CG2-CD1 4.26Å; I1141-L1244 HydrophobicContact CG2-CD2 4.06Å; L1162-L1244 HydrophobicContact CD1-CB 4.23Å; L1162-L1244 HydrophobicContact CD1-CD2 3.48Å; L1162-L1244 VanDerWaalsContact CD1-CD2 3.48Å; L1162-L1244 HydrophobicContact CD1-CG 3.71Å; I1240-L1244 WeakPolarHBondContact O-CB 3.39Å; I1240-L1244 PolarHBondContact O-N 2.88Å; L1244-G1246 VanDerWaalsContact C-N 3.34Å; L1244-Q1247 WeakPolarHBondContact O-CB 3.29Å; L1244-Q1247 PolarHBondContact O-N 2.65Å; L1244-L1248 WeakPolarHBondContact O-CG 3.41Å; L1244-L1248 PolarHBondContact O-N 3.01Å
1245	L	86.4	Confident	79.6	Confident	24 Å²	24	33.1 Å²	33.1	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-33	172.1	-175.3	58.5	0	0	0	112.5	L1162 R1241 Q1247 R1249 V1254 I1262	L1162-L1245 HydrophobicContact CD2-CB 4.13Å; L1162-L1245 HydrophobicContact CD2-CD1 4.41Å; R1241-L1245 VanDerWaalsContact O-CB 3.26Å; R1241-L1245 WeakPolarHBondContact O-CB 3.26Å; R1241-L1245 PolarHBondContact O-N 2.98Å; L1245-Q1247 VanDerWaalsContact C-N 3.33Å; L1245-R1249 WeakPolarHBondContact O-CG 3.32Å; L1245-R1249 PolarHBondContact O-N 3.03Å; L1245-V1254 HydrophobicContact CD1-CG1 4.33Å; L1245-V1254 HydrophobicContact CD1-CG2 4.18Å; L1245-I1262 HydrophobicContact CD1-CD1 4Å
1246	G	79	Confident	79.6	Confident	20 Å²	20	37 Å²	37	21%	0.206	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-42	169.4	0	0	0	0	0	111.9	T1242 Q1243 L1244 R1249 A1250	T1242-G1246 PolarHBondContact O-N 3.39Å; Q1243-G1246 CarbonylContact O-C 3.56Å; Q1243-G1246 WeakPolarHBondContact O-CA 3.23Å; Q1243-G1246 PolarHBondContact O-N 3.24Å; Q1243-G1246 VanDerWaalsContact O-N 3.16Å; L1244-G1246 VanDerWaalsContact C-N 3.34Å; G1246-R1249 WeakPolarHBondContact O-CB 3.27Å; G1246-R1249 PolarHBondContact O-N 3.23Å; G1246-A1250 PolarHBondContact O-N 2.94Å; G1246-A1250 VanDerWaalsContact O-N 3.07Å
1247	Q	78.3	Confident	79.9	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-45.9	177.1	-177	55.1	46.7	0	0	112.8	R305 D1138 M1139 Q1243 L1244 L1245 R1249 A1250 S1251	R305-Q1247 VanDerWaalsContact CZ-OE1 3.31Å; D1138-Q1247 VanDerWaalsContact O-CD 3.22Å; D1138-Q1247 WeakPolarHBondContact O-CG 3.31Å; D1138-Q1247 PolarHBondContact O-NE2 3.09Å; M1139-Q1247 HydrophobicContact SD-CG 4.39Å; Q1243-Q1247 PolarHBondContact O-N 3.24Å; L1244-Q1247 WeakPolarHBondContact O-CB 3.29Å; L1244-Q1247 PolarHBondContact O-N 2.65Å; L1245-Q1247 VanDerWaalsContact C-N 3.33Å; Q1247-R1249 PolarHBondContact O-N 3.49Å; Q1247-A1250 PolarHBondContact O-N 2.81Å; Q1247-S1251 PolarHBondContact NE2-OG 2.9Å; Q1247-S1251 PolarHBondContact O-N 3.11Å
1248	L	86	Confident	79.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-28.3	176.8	-72.1	170.4	0	0	0	112.8	M1139 V1149 L1158 L1162 L1244 G1252 F1253 V1254	M1139-L1248 HydrophobicContact CE-CD2 3.8Å; M1139-L1248 HydrophobicContact CE-CG 4.28Å; M1139-L1248 HydrophobicContact SD-CD2 3.87Å; M1139-L1248 HydrophobicContact SD-CG 4.37Å; V1149-L1248 HydrophobicContact CG1-CD1 3.82Å; V1149-L1248 HydrophobicContact CG1-CD2 4.24Å; L1158-L1248 HydrophobicContact CD1-CD1 3.93Å; L1158-L1248 HydrophobicContact CD2-CD1 4.36Å; L1162-L1248 HydrophobicContact CD1-CD1 4.04Å; L1244-L1248 WeakPolarHBondContact O-CG 3.41Å; L1244-L1248 PolarHBondContact O-N 3.01Å; L1248-G1252 PolarHBondContact O-N 3.07Å; L1248-F1253 HydrophobicContact CB-CB 4.48Å; L1248-F1253 HydrophobicContact CD2-CB 4.13Å; L1248-F1253 HydrophobicContact CD2-CD2 4.2Å; L1248-F1253 HydrophobicContact CD2-CG 4.38Å; L1248-F1253 WeakPolarHBondContact O-CB 3.4Å; L1248-F1253 PolarHBondContact O-N 3.37Å; L1248-V1254 HydrophobicContact CB-CB 4.45Å; L1248-V1254 HydrophobicContact CB-CG2 3.75Å; L1248-V1254 PolarHBondContact O-N 2.88Å
1249	R	83.7	Confident	78.9	Confident	121 Å²	121	46.8 Å²	46.8	46%	0.457	27%	0.27	S	S	.	.	H	α-helix	trans	-71.7	-45.6	169.9	-69.5	168.8	177.7	144.2	1.3	111.9	L1245 G1246 Q1247 S1251 G1252 V1254	L1245-R1249 WeakPolarHBondContact O-CG 3.32Å; L1245-R1249 PolarHBondContact O-N 3.03Å; G1246-R1249 WeakPolarHBondContact O-CB 3.27Å; G1246-R1249 PolarHBondContact O-N 3.23Å; Q1247-R1249 PolarHBondContact O-N 3.49Å; R1249-S1251 VanDerWaalsContact C-N 3.33Å; R1249-S1251 PolarHBondContact O-N 2.8Å; R1249-G1252 PolarHBondContact O-N 3.46Å; R1249-V1254 WeakPolarHBondContact CA-O 3.44Å; R1249-V1254 HydrophobicContact CG-CB 3.78Å; R1249-V1254 HydrophobicContact CG-CG1 3.78Å; R1249-V1254 WeakPolarHBondContact CG-O 3.49Å
1250	A	71.3	Confident	79.1	Confident	34 Å²	34	45.1 Å²	45.1	28%	0.281	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-36.1	178.8	0	0	0	0	0	113	L306 G1246 Q1247 G1252	L306-A1250 HydrophobicContact CD2-CB 3.89Å; G1246-A1250 PolarHBondContact O-N 2.94Å; G1246-A1250 VanDerWaalsContact O-N 3.07Å; Q1247-A1250 PolarHBondContact O-N 2.81Å; A1250-G1252 PolarHBondContact O-N 2.83Å
1251	S	74.9	Confident	79.7	Confident	24 Å²	24	45.8 Å²	45.8	17%	0.168	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4	173.2	-63.1	0	0	0	0	113.9	Q1247 R1249 F1253	Q1247-S1251 PolarHBondContact NE2-OG 2.9Å; Q1247-S1251 PolarHBondContact O-N 3.11Å; R1249-S1251 VanDerWaalsContact C-N 3.33Å; R1249-S1251 PolarHBondContact O-N 2.8Å; S1251-F1253 VanDerWaalsContact C-N 3.28Å; S1251-F1253 PolarHBondContact O-N 2.86Å
1252	G	79.6	Confident	79.6	Confident	29 Å²	29	46.9 Å²	46.9	30%	0.299	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	6.7	174.9	0	0	0	0	0	116.2	L1248 R1249 A1250	L1248-G1252 PolarHBondContact O-N 3.07Å; R1249-G1252 PolarHBondContact O-N 3.46Å; A1250-G1252 PolarHBondContact O-N 2.83Å
1253	F	85.8	Confident	79.9	Confident	7 Å²	7	52.5 Å²	52.5	3%	0.031	28%	0.28	C	S	.	.	S	Bend	trans	-72	-33.5	174.4	-73.4	-74.3	0	0	0	112.4	H1135 L1150 V1153 L1248 S1251 L1265 L1618 P1621	H1135-F1253 HydrophobicContact CB-CE2 4.42Å; H1135-F1253 HydrophobicContact CB-CZ 4.31Å; H1135-F1253 AromaticContact CD2-CZ 3.87Å; H1135-F1253 AromaticContact CE1-CE2 3.88Å; H1135-F1253 AromaticContact CE1-CZ 3.65Å; H1135-F1253 AromaticContact CG-CE2 3.97Å; H1135-F1253 AromaticContact CG-CZ 3.69Å; H1135-F1253 AromaticContact ND1-CE2 3.5Å; H1135-F1253 AromaticContact ND1-CZ 3.56Å; H1135-F1253 AromaticContact NE2-CZ 3.84Å; L1150-F1253 HydrophobicContact CD2-CD1 4.45Å; L1150-F1253 HydrophobicContact CD2-CD2 4.13Å; L1150-F1253 HydrophobicContact CD2-CE1 3.96Å; L1150-F1253 HydrophobicContact CD2-CE2 3.61Å; L1150-F1253 HydrophobicContact CD2-CZ 3.51Å; V1153-F1253 HydrophobicContact CG1-CB 4.2Å; V1153-F1253 HydrophobicContact CG1-CD1 4.05Å; V1153-F1253 HydrophobicContact CG2-CB 4.43Å; L1248-F1253 HydrophobicContact CB-CB 4.48Å; L1248-F1253 HydrophobicContact CD2-CB 4.13Å; L1248-F1253 HydrophobicContact CD2-CD2 4.2Å; L1248-F1253 HydrophobicContact CD2-CG 4.38Å; L1248-F1253 WeakPolarHBondContact O-CB 3.4Å; L1248-F1253 PolarHBondContact O-N 3.37Å; S1251-F1253 VanDerWaalsContact C-N 3.28Å; S1251-F1253 PolarHBondContact O-N 2.86Å; F1253-L1265 WeakPolarHBondContact O-CD1 3.43Å; F1253-L1618 HydrophobicContact CE1-CD2 4.24Å; F1253-L1618 HydrophobicContact CZ-CD2 4.23Å; F1253-P1621 HydrophobicContact CD1-CB 3.64Å; F1253-P1621 HydrophobicContact CD1-CG 3.96Å; F1253-P1621 HydrophobicContact CE1-CB 3.79Å; F1253-P1621 HydrophobicContact CE1-CG 3.56Å; F1253-P1621 HydrophobicContact CE2-CG 4.26Å; F1253-P1621 HydrophobicContact CG-CB 4.07Å; F1253-P1621 HydrophobicContact CG-CG 4.46Å; F1253-P1621 HydrophobicContact CZ-CB 4.32Å; F1253-P1621 HydrophobicContact CZ-CG 3.72Å
1254	V	87.1	Confident	80.5	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	27%	0.273	C	S	.	.	S	Bend	trans	-116.1	111.4	179.2	178.4	0	0	0	0	110.1	L1158 L1245 L1248 R1249 I1262 L1265	L1158-V1254 HydrophobicContact CD2-CG2 3.79Å; L1245-V1254 HydrophobicContact CD1-CG1 4.33Å; L1245-V1254 HydrophobicContact CD1-CG2 4.18Å; L1248-V1254 HydrophobicContact CB-CB 4.45Å; L1248-V1254 HydrophobicContact CB-CG2 3.75Å; L1248-V1254 PolarHBondContact O-N 2.88Å; R1249-V1254 WeakPolarHBondContact CA-O 3.44Å; R1249-V1254 HydrophobicContact CG-CB 3.78Å; R1249-V1254 HydrophobicContact CG-CG1 3.78Å; R1249-V1254 WeakPolarHBondContact CG-O 3.49Å; V1254-I1262 HydrophobicContact CG1-CB 4.44Å; V1254-L1265 HydrophobicContact CB-CD1 4.25Å; V1254-L1265 HydrophobicContact CG1-CD1 4.46Å; V1254-L1265 HydrophobicContact CG2-CD1 3.69Å
1255	K	83.1	Confident	80.8	Confident	50 Å²	50	51 Å²	51	22%	0.217	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-78.8	164.1	175	-63.5	-175.4	-173.8	165.4	0	112.1	S1259 G1260 G1622 H1624	K1255-S1259 WeakPolarHBondContact CD-O 3.47Å; K1255-S1259 PolarHBondContact NZ-O 2.87Å; K1255-G1260 PolarHBondContact N-O 3.48Å; K1255-G1622 WeakPolarHBondContact CE-O 3.25Å; K1255-G1622 PolarHBondContact NZ-O 3.36Å; K1255-H1624 PolarHBondContact NZ-NE2 2.82Å; K1255-H1624 VanDerWaalsContact NZ-NE2 3.12Å
1256	T	77.1	Confident	81	Confident	136 Å²	136	51.3 Å²	51.3	83%	0.834	28%	0.276	S	S	*	.	S	Bend	trans	-79	-31.4	175	51.9	0	0	0	0	113.4
1257	K	75.5	Confident	81.6	Confident	175 Å²	175	53.2 Å²	53.2	76%	0.761	29%	0.286	S	S	*	.	S	Bend	trans	-153.8	151.1	177.4	-62.1	-176.2	-178.2	175.6	0	110.9
1258	G	72.4	Confident	82.2	Confident	42 Å²	42	54 Å²	54	43%	0.433	29%	0.291	S	S	.	.	S	Bend	trans	91.8	-173.4	173.4	0	0	0	0	0	112.9	G1260 D1261	G1258-G1260 PolarHBondContact O-N 3.3Å; G1258-D1261 PolarHBondContact N-OD2 3.3Å; G1258-D1261 WeakPolarHBondContact O-CA 3.31Å; G1258-D1261 WeakPolarHBondContact O-CB 3.49Å; G1258-D1261 PolarHBondContact O-N 2.73Å
1259	S	68.2	Low	82.5	Confident	45 Å²	45	54.1 Å²	54.1	32%	0.315	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	130.2	178.5	64	0	0	0	0	111.1	K1255 D1264 H1624	K1255-S1259 WeakPolarHBondContact CD-O 3.47Å; K1255-S1259 PolarHBondContact NZ-O 2.87Å; S1259-D1264 WeakPolarHBondContact CA-OD2 3.33Å; S1259-D1264 WeakPolarHBondContact CB-OD2 3.48Å; S1259-H1624 PolarHBondContact OG-CE1 2.93Å; S1259-H1624 VanDerWaalsContact OG-CE1 3.29Å; S1259-H1624 PolarHBondContact OG-ND1 2.82Å
1260	G	75.7	Confident	82.7	Confident	5 Å²	5	53.3 Å²	53.3	5%	0.052	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	0.8	-161.1	0	0	0	0	0	114.4	K1255 G1258 D1264 L1265	K1255-G1260 PolarHBondContact N-O 3.48Å; G1258-G1260 PolarHBondContact O-N 3.3Å; G1260-D1264 PolarHBondContact N-OD2 2.7Å; G1260-L1265 VanDerWaalsContact O-CD1 3.31Å; G1260-L1265 WeakPolarHBondContact O-CD1 3.49Å
1261	D	84.7	Confident	83.6	Confident	31 Å²	31	53 Å²	53	17%	0.166	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-78.2	168.9	167.3	83	31.4	0	0	0	112.1	G1258 R1263 D1264 L1265	G1258-D1261 PolarHBondContact N-OD2 3.3Å; G1258-D1261 WeakPolarHBondContact O-CA 3.31Å; G1258-D1261 WeakPolarHBondContact O-CB 3.49Å; G1258-D1261 PolarHBondContact O-N 2.73Å; D1261-R1263 PolarHBondContact O-N 3.08Å; D1261-R1263 WeakPolarHBondContact OD1-CB 3.28Å; D1261-R1263 PolarHBondContact OD1-N 2.98Å; D1261-D1264 PolarHBondContact O-N 3.5Å; D1261-D1264 PolarHBondContact OD1-N 2.7Å; D1261-L1265 WeakPolarHBondContact O-CG 3.22Å; D1261-L1265 PolarHBondContact O-N 3.48Å
1262	I	85.7	Confident	84.5	Confident	60 Å²	60	51.8 Å²	51.8	31%	0.308	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-9.2	-173.1	-162.2	55.2	0	0	0	114.5	L1158 L1245 V1254 N1266	L1158-I1262 HydrophobicContact CD2-CD1 3.93Å; L1245-I1262 HydrophobicContact CD1-CD1 4Å; V1254-I1262 HydrophobicContact CG1-CB 4.44Å; I1262-N1266 PolarHBondContact O-ND2 3.24Å
1263	R	86.1	Confident	85.1	Confident	211 Å²	211	50.4 Å²	50.4	80%	0.796	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-45.9	172.8	-60.2	179.2	176.6	-174.1	-0.9	111.5	D1261 N1266	D1261-R1263 PolarHBondContact O-N 3.08Å; D1261-R1263 WeakPolarHBondContact OD1-CB 3.28Å; D1261-R1263 PolarHBondContact OD1-N 2.98Å; R1263-N1266 PolarHBondContact O-N 3.27Å
1264	D	87.3	Confident	85.5	Confident	41 Å²	41	50.1 Å²	50.1	22%	0.219	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.2	-43.4	176	177.6	40.2	0	0	0	110.7	K1156 S1259 G1260 D1261 N1266 S1267	K1156-D1264 WeakPolarHBondContact CB-O 3.35Å; K1156-D1264 WeakPolarHBondContact CD-O 3.44Å; K1156-D1264 WeakPolarHBondContact CE-OD1 3.37Å; K1156-D1264 IonicContact NZ-OD1 2.84Å; K1156-D1264 PolarHBondContact NZ-OD1 3.07Å; K1156-D1264 IonicContact NZ-OD2 3.27Å; S1259-D1264 WeakPolarHBondContact CA-OD2 3.33Å; S1259-D1264 WeakPolarHBondContact CB-OD2 3.48Å; G1260-D1264 PolarHBondContact N-OD2 2.7Å; D1261-D1264 PolarHBondContact O-N 3.5Å; D1261-D1264 PolarHBondContact OD1-N 2.7Å; D1264-N1266 PolarHBondContact O-N 3.08Å; D1264-S1267 PolarHBondContact O-N 3.38Å; D1264-S1267 VanDerWaalsContact O-N 3.12Å
1265	L	89.4	Confident	85.9	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-67.6	6	176.2	-61.3	177.4	0	0	0	115	V1153 K1156 C1157 L1158 F1253 V1254 G1260 D1261	V1153-L1265 HydrophobicContact CG1-CD1 4.33Å; V1153-L1265 HydrophobicContact CG1-CD2 3.78Å; V1153-L1265 WeakPolarHBondContact O-CD2 3.01Å; K1156-L1265 CarbonylContact C-O 3.59Å; K1156-L1265 WeakPolarHBondContact CA-O 3.41Å; K1156-L1265 CarbonylContact O-C 3.6Å; C1157-L1265 PolarHBondContact N-O 3.17Å; L1158-L1265 HydrophobicContact CB-CB 4.35Å; L1158-L1265 WeakPolarHBondContact CB-O 3.42Å; L1158-L1265 HydrophobicContact CD2-CB 4.29Å; L1158-L1265 HydrophobicContact CD2-CD1 4.16Å; L1158-L1265 PolarHBondContact N-O 3.45Å; F1253-L1265 WeakPolarHBondContact O-CD1 3.43Å; V1254-L1265 HydrophobicContact CB-CD1 4.25Å; V1254-L1265 HydrophobicContact CG1-CD1 4.46Å; V1254-L1265 HydrophobicContact CG2-CD1 3.69Å; G1260-L1265 VanDerWaalsContact O-CD1 3.31Å; G1260-L1265 WeakPolarHBondContact O-CD1 3.49Å; D1261-L1265 WeakPolarHBondContact O-CG 3.22Å; D1261-L1265 PolarHBondContact O-N 3.48Å
1266	N	90.7	Very high	86.5	Confident	30 Å²	30	47.5 Å²	47.5	16%	0.16	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-129.9	14.7	177.9	-81.7	-63.9	0	0	0	113.3	K1156 D1159 I1262 R1263 D1264 N1268 S1269	K1156-N1266 CarbonylContact O-C 3.22Å; K1156-N1266 VanDerWaalsContact O-C 3.3Å; K1156-N1266 VanDerWaalsContact O-CA 3.3Å; K1156-N1266 WeakPolarHBondContact O-CA 3.13Å; D1159-N1266 WeakPolarHBondContact CA-OD1 3.46Å; D1159-N1266 WeakPolarHBondContact CB-OD1 3.45Å; D1159-N1266 PolarHBondContact N-OD1 3.07Å; I1262-N1266 PolarHBondContact O-ND2 3.24Å; R1263-N1266 PolarHBondContact O-N 3.27Å; D1264-N1266 PolarHBondContact O-N 3.08Å; N1266-N1268 PolarHBondContact O-N 3.23Å; N1266-N1268 VanDerWaalsContact O-N 3.16Å; N1266-S1269 WeakPolarHBondContact CA-OG 3.38Å; N1266-S1269 PolarHBondContact O-N 3.27Å; N1266-S1269 PolarHBondContact OD1-OG 3.25Å
1267	S	90.6	Very high	87.3	Confident	60 Å²	60	41 Å²	41	42%	0.42	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	-178.5	72.4	0	0	0	0	114.4	K1156 D1264	K1156-S1267 WeakPolarHBondContact CB-OG 3.43Å; K1156-S1267 VanDerWaalsContact CD-OG 3.29Å; K1156-S1267 WeakPolarHBondContact CD-OG 3.41Å; K1156-S1267 PolarHBondContact O-N 2.91Å; D1264-S1267 PolarHBondContact O-N 3.38Å; D1264-S1267 VanDerWaalsContact O-N 3.12Å
1268	N	91.9	Very high	88.3	Confident	26 Å²	26	32.7 Å²	32.7	14%	0.139	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	13	-177.8	-51	-34.4	0	0	0	112.1	L1155 K1156 N1266 D1270 N1271 V1274 I1637	L1155-N1268 PolarHBondContact O-ND2 3.27Å; K1156-N1268 PolarHBondContact O-N 2.98Å; N1266-N1268 PolarHBondContact O-N 3.23Å; N1266-N1268 VanDerWaalsContact O-N 3.16Å; N1268-D1270 PolarHBondContact O-N 2.9Å; N1268-N1271 WeakPolarHBondContact O-CB 3.41Å; N1268-N1271 PolarHBondContact O-N 2.91Å; N1268-N1271 VanDerWaalsContact O-N 3.08Å; N1268-V1274 HydrophobicContact CB-CG1 4.12Å; N1268-I1637 WeakPolarHBondContact ND2-CD1 3.25Å
1269	S	91.3	Very high	89.4	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.5	-175.9	-67.8	0	0	0	0	114.1	C1157 P1160 N1266 V1655 G1656	C1157-S1269 VanDerWaalsContact CA-OG 3.26Å; C1157-S1269 WeakPolarHBondContact CA-OG 3.46Å; P1160-S1269 WeakPolarHBondContact CD-OG 3.21Å; N1266-S1269 WeakPolarHBondContact CA-OG 3.38Å; N1266-S1269 PolarHBondContact O-N 3.27Å; N1266-S1269 PolarHBondContact OD1-OG 3.25Å; S1269-V1655 CarbonylContact O-C 3.59Å; S1269-V1655 VanDerWaalsContact O-CG1 3.31Å; S1269-V1655 WeakPolarHBondContact O-CG1 3.38Å; S1269-G1656 VanDerWaalsContact O-CA 3.3Å; S1269-G1656 WeakPolarHBondContact O-CA 3.43Å; S1269-G1656 PolarHBondContact O-N 3.04Å
1270	D	87.9	Confident	90.7	Very high	104 Å²	104	28.6 Å²	28.6	56%	0.556	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.7	171.1	59.8	-14.5	0	0	0	113.8	N1268 W1272 V1655	N1268-D1270 PolarHBondContact O-N 2.9Å; D1270-W1272 PolarHBondContact O-N 3.36Å; D1270-V1655 WeakPolarHBondContact CA-O 3.44Å; D1270-V1655 WeakPolarHBondContact CB-O 3.44Å
1271	N	91.4	Very high	91.5	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.139	14%	0.14	C	C	.	.			trans	-89.7	103.9	176.6	-171.9	-40.9	0	0	0	110.6	N1268 A1273 V1274 V1275 T1641	N1268-N1271 WeakPolarHBondContact O-CB 3.41Å; N1268-N1271 PolarHBondContact O-N 2.91Å; N1268-N1271 VanDerWaalsContact O-N 3.08Å; N1271-A1273 VanDerWaalsContact C-N 3.35Å; N1271-A1273 PolarHBondContact O-N 2.89Å; N1271-A1273 WeakPolarHBondContact OD1-CB 3.04Å; N1271-A1273 PolarHBondContact OD1-N 3.42Å; N1271-V1274 HydrophobicContact CB-CB 4.13Å; N1271-V1274 HydrophobicContact CB-CG2 3.97Å; N1271-V1274 PolarHBondContact O-N 3.47Å; N1271-V1274 VanDerWaalsContact O-N 3.17Å; N1271-V1274 PolarHBondContact OD1-N 2.58Å; N1271-V1275 PolarHBondContact O-N 3.39Å; N1271-V1275 VanDerWaalsContact O-N 3.16Å; N1271-T1641 PolarHBondContact ND2-OG1 2.89Å
1272	W	92.7	Very high	91.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.1	-31.9	-174.6	-172.8	-129.2	0	0	0	113	I1164 S1199 H1201 M1202 L1205 D1270 V1274 V1275 K1276 I1279 Q1651 P1652 V1655	I1164-W1272 HydrophobicContact CD1-CH2 4.37Å; I1164-W1272 HydrophobicContact CD1-CZ3 4.43Å; S1199-W1272 WeakPolarHBondContact OG-CZ2 3.34Å; H1201-W1272 HydrophobicContact CB-CH2 4.2Å; M1202-W1272 HydrophobicContact CB-CH2 4.28Å; M1202-W1272 HydrophobicContact CB-CZ2 3.92Å; M1202-W1272 HydrophobicContact CE-CD2 3.19Å; M1202-W1272 HydrophobicContact CE-CE3 3.21Å; M1202-W1272 HydrophobicContact CE-CG 3.85Å; M1202-W1272 HydrophobicContact CE-CH2 3.66Å; M1202-W1272 HydrophobicContact CE-CZ2 3.63Å; M1202-W1272 HydrophobicContact CE-CZ3 3.43Å; M1202-W1272 VanDerWaalsContact CE-CZ3 3.43Å; L1205-W1272 HydrophobicContact CD2-CZ3 4.33Å; D1270-W1272 PolarHBondContact O-N 3.36Å; W1272-V1274 VanDerWaalsContact C-N 3.28Å; W1272-V1274 PolarHBondContact O-N 2.6Å; W1272-V1275 HydrophobicContact CE3-CB 3.59Å; W1272-V1275 HydrophobicContact CE3-CG1 3.77Å; W1272-V1275 HydrophobicContact CE3-CG2 4.14Å; W1272-V1275 HydrophobicContact CH2-CG1 4.23Å; W1272-V1275 HydrophobicContact CZ3-CB 3.77Å; W1272-V1275 HydrophobicContact CZ3-CG1 3.37Å; W1272-V1275 HydrophobicContact CZ3-CG2 4.48Å; W1272-V1275 PolarHBondContact O-N 2.86Å; W1272-K1276 VanDerWaalsContact CD1-CE 3.48Å; W1272-K1276 HydrophobicContact CD2-CG 4.45Å; W1272-K1276 HydrophobicContact CZ2-CG 4.4Å; W1272-K1276 WeakPolarHBondContact O-CG 3.47Å; W1272-K1276 PolarHBondContact O-N 3.09Å; W1272-I1279 HydrophobicContact CH2-CD1 4.27Å; W1272-Q1651 VanDerWaalsContact N-OE1 3.08Å; W1272-P1652 HydrophobicContact CB-CG 4.26Å; W1272-P1652 HydrophobicContact CG-CG 4.15Å; W1272-V1655 HydrophobicContact CE3-CG1 3.92Å; W1272-V1655 HydrophobicContact CZ3-CG1 4.42Å
1273	A	93.2	Very high	91.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-38.1	172.2	0	0	0	0	0	112.3	N1271 A1277 L1640 E1644	N1271-A1273 VanDerWaalsContact C-N 3.35Å; N1271-A1273 PolarHBondContact O-N 2.89Å; N1271-A1273 WeakPolarHBondContact OD1-CB 3.04Å; N1271-A1273 PolarHBondContact OD1-N 3.42Å; A1273-A1277 WeakPolarHBondContact O-CB 3.38Å; A1273-A1277 PolarHBondContact O-N 3.43Å; A1273-L1640 HydrophobicContact CB-CB 4.22Å; A1273-E1644 WeakPolarHBondContact CA-OE2 3.42Å; A1273-E1644 HydrophobicContact CB-CB 4.29Å; A1273-E1644 HydrophobicContact CB-CG 3.8Å; A1273-E1644 WeakPolarHBondContact CB-OE2 3.4Å
1274	V	94.6	Very high	91.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-72.4	-33.8	176.9	177.7	0	0	0	0	111.9	L1155 C1157 N1268 N1271 W1272 A1277 A1278 I1637	L1155-V1274 HydrophobicContact CB-CG1 3.87Å; L1155-V1274 HydrophobicContact CD2-CG1 4.31Å; L1155-V1274 HydrophobicContact CG-CG1 4.5Å; C1157-V1274 HydrophobicContact CB-CG1 4.04Å; N1268-V1274 HydrophobicContact CB-CG1 4.12Å; N1271-V1274 HydrophobicContact CB-CB 4.13Å; N1271-V1274 HydrophobicContact CB-CG2 3.97Å; N1271-V1274 PolarHBondContact O-N 3.47Å; N1271-V1274 VanDerWaalsContact O-N 3.17Å; N1271-V1274 PolarHBondContact OD1-N 2.58Å; W1272-V1274 VanDerWaalsContact C-N 3.28Å; W1272-V1274 PolarHBondContact O-N 2.6Å; V1274-A1277 PolarHBondContact O-N 3.3Å; V1274-A1278 PolarHBondContact O-N 2.97Å; V1274-I1637 HydrophobicContact CG2-CB 4.26Å; V1274-I1637 HydrophobicContact CG2-CG1 3.85Å; V1274-I1637 HydrophobicContact CG2-CG2 3.89Å
1275	V	94.7	Very high	91.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.5	-44.9	172.7	-176.4	0	0	0	0	110.7	C1157 P1160 I1161 I1164 N1271 W1272 A1277 A1278 I1279	C1157-V1275 HydrophobicContact CB-CG2 4.12Å; P1160-V1275 HydrophobicContact CB-CG1 4.26Å; P1160-V1275 HydrophobicContact CB-CG2 4.32Å; P1160-V1275 HydrophobicContact CG-CG1 4.3Å; P1160-V1275 HydrophobicContact CG-CG2 3.69Å; I1161-V1275 HydrophobicContact CD1-CG1 3.61Å; I1161-V1275 HydrophobicContact CG1-CG1 4.01Å; I1164-V1275 HydrophobicContact CD1-CG1 4.36Å; N1271-V1275 PolarHBondContact O-N 3.39Å; N1271-V1275 VanDerWaalsContact O-N 3.16Å; W1272-V1275 HydrophobicContact CE3-CB 3.59Å; W1272-V1275 HydrophobicContact CE3-CG1 3.77Å; W1272-V1275 HydrophobicContact CE3-CG2 4.14Å; W1272-V1275 HydrophobicContact CH2-CG1 4.23Å; W1272-V1275 HydrophobicContact CZ3-CB 3.77Å; W1272-V1275 HydrophobicContact CZ3-CG1 3.37Å; W1272-V1275 HydrophobicContact CZ3-CG2 4.48Å; W1272-V1275 PolarHBondContact O-N 2.86Å; V1275-A1277 VanDerWaalsContact C-N 3.28Å; V1275-A1277 PolarHBondContact O-N 3.22Å; V1275-A1278 PolarHBondContact O-N 3.33Å; V1275-A1278 VanDerWaalsContact O-N 3.17Å; V1275-I1279 HydrophobicContact CG1-CD1 4.41Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.5Å; V1275-I1279 PolarHBondContact O-N 2.95Å; V1275-I1279 VanDerWaalsContact O-N 3.09Å
1276	K	94.9	Very high	90.9	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-56.2	-40.5	172.2	-73.4	179.8	-176.3	-169.4	0	112.5	W1272 A1278 I1279 V1280 I1372 V1373 E1644	W1272-K1276 VanDerWaalsContact CD1-CE 3.48Å; W1272-K1276 HydrophobicContact CD2-CG 4.45Å; W1272-K1276 HydrophobicContact CZ2-CG 4.4Å; W1272-K1276 WeakPolarHBondContact O-CG 3.47Å; W1272-K1276 PolarHBondContact O-N 3.09Å; K1276-A1278 VanDerWaalsContact C-N 3.33Å; K1276-A1278 PolarHBondContact O-N 3.5Å; K1276-I1279 WeakPolarHBondContact O-CB 3.48Å; K1276-I1279 PolarHBondContact O-N 2.74Å; K1276-I1279 VanDerWaalsContact O-N 3.15Å; K1276-V1280 WeakPolarHBondContact O-CG2 3.31Å; K1276-V1280 PolarHBondContact O-N 2.8Å; K1276-I1372 WeakPolarHBondContact CE-O 3.43Å; K1276-I1372 PolarHBondContact NZ-O 3.43Å; K1276-V1373 HydrophobicContact CB-CG1 4.39Å; K1276-V1373 HydrophobicContact CD-CG1 4.31Å; K1276-E1644 WeakPolarHBondContact CD-OE1 3.35Å; K1276-E1644 WeakPolarHBondContact CE-OE1 3.44Å; K1276-E1644 IonicContact NZ-OE1 3.95Å; K1276-E1644 PolarHBondContact NZ-OE1 3.23Å; K1276-E1644 IonicContact NZ-OE2 2.76Å; K1276-E1644 PolarHBondContact NZ-OE2 3.3Å
1277	A	95.5	Very high	90.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-41.8	177.4	0	0	0	0	0	112.6	L1155 A1273 V1274 V1275 A1281 T1377 M1381 L1640	L1155-A1277 HydrophobicContact CD1-CB 4.31Å; A1273-A1277 WeakPolarHBondContact O-CB 3.38Å; A1273-A1277 PolarHBondContact O-N 3.43Å; V1274-A1277 PolarHBondContact O-N 3.3Å; V1275-A1277 VanDerWaalsContact C-N 3.28Å; V1275-A1277 PolarHBondContact O-N 3.22Å; A1277-A1281 WeakPolarHBondContact O-CB 3.48Å; A1277-A1281 PolarHBondContact O-N 2.89Å; A1277-A1281 VanDerWaalsContact O-N 3.09Å; A1277-T1377 HydrophobicContact CB-CG2 4.03Å; A1277-M1381 HydrophobicContact CB-CE 4.26Å; A1277-M1381 HydrophobicContact CB-CG 3.86Å; A1277-M1381 HydrophobicContact CB-SD 4.06Å; A1277-M1381 WeakPolarHBondContact O-CG 3.39Å; A1277-L1640 HydrophobicContact CB-CD1 3.74Å; A1277-L1640 HydrophobicContact CB-CD2 4.21Å
1278	A	95.8	Very high	90.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-41.7	173.1	0	0	0	0	0	112.3	M1148 L1155 I1161 V1274 V1275 K1276 A1281 G1282	M1148-A1278 WeakPolarHBondContact CG-O 3.12Å; L1155-A1278 HydrophobicContact CD1-CB 3.88Å; I1161-A1278 HydrophobicContact CD1-CB 3.7Å; I1161-A1278 HydrophobicContact CG1-CB 3.8Å; V1274-A1278 PolarHBondContact O-N 2.97Å; V1275-A1278 PolarHBondContact O-N 3.33Å; V1275-A1278 VanDerWaalsContact O-N 3.17Å; K1276-A1278 VanDerWaalsContact C-N 3.33Å; K1276-A1278 PolarHBondContact O-N 3.5Å; A1278-A1281 PolarHBondContact O-N 3.35Å; A1278-G1282 PolarHBondContact O-N 3.16Å; A1278-G1282 VanDerWaalsContact O-N 3.16Å
1279	I	95.8	Very high	90.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-58.4	-51.2	175.8	-62.9	170.1	0	0	0	110.6	M1148 I1161 I1164 H1201 W1272 V1275 K1276 A1281 G1282 M1283 V1335	M1148-I1279 HydrophobicContact SD-CB 4.34Å; M1148-I1279 HydrophobicContact SD-CG1 3.97Å; I1161-I1279 HydrophobicContact CD1-CD1 4.48Å; I1161-I1279 HydrophobicContact CD1-CG1 3.72Å; I1164-I1279 HydrophobicContact CD1-CD1 4.32Å; H1201-I1279 HydrophobicContact CB-CD1 4.09Å; W1272-I1279 HydrophobicContact CH2-CD1 4.27Å; V1275-I1279 HydrophobicContact CG1-CD1 4.41Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.5Å; V1275-I1279 PolarHBondContact O-N 2.95Å; V1275-I1279 VanDerWaalsContact O-N 3.09Å; K1276-I1279 WeakPolarHBondContact O-CB 3.48Å; K1276-I1279 PolarHBondContact O-N 2.74Å; K1276-I1279 VanDerWaalsContact O-N 3.15Å; I1279-A1281 VanDerWaalsContact C-N 3.3Å; I1279-A1281 PolarHBondContact O-N 2.91Å; I1279-G1282 PolarHBondContact O-N 2.83Å; I1279-G1282 VanDerWaalsContact O-N 3.16Å; I1279-M1283 HydrophobicContact CG2-CG 4.31Å; I1279-M1283 HydrophobicContact CG2-SD 3.6Å; I1279-M1283 VanDerWaalsContact CG2-SD 3.6Å; I1279-M1283 WeakPolarHBondContact O-CB 3.36Å; I1279-M1283 PolarHBondContact O-N 3.21Å; I1279-V1335 HydrophobicContact CG2-CG1 3.98Å; I1279-V1335 HydrophobicContact CG2-CG2 4.4Å
1280	V	94.2	Very high	90.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.5	-38.9	178.7	173.3	0	0	0	0	112.1	K1276 G1282 Y1284 V1335 V1373 T1377 M1381	K1276-V1280 WeakPolarHBondContact O-CG2 3.31Å; K1276-V1280 PolarHBondContact O-N 2.8Å; V1280-G1282 VanDerWaalsContact C-N 3.35Å; V1280-G1282 PolarHBondContact O-N 3.28Å; V1280-Y1284 PolarHBondContact O-N 2.85Å; V1280-Y1284 VanDerWaalsContact O-N 3.11Å; V1280-V1335 HydrophobicContact CG2-CB 4.32Å; V1280-V1335 HydrophobicContact CG2-CG1 4.19Å; V1280-V1373 HydrophobicContact CG2-CB 4.15Å; V1280-V1373 HydrophobicContact CG2-CG1 3.72Å; V1280-V1373 HydrophobicContact CG2-CG2 4.21Å; V1280-T1377 HydrophobicContact CB-CG2 4.34Å; V1280-T1377 HydrophobicContact CG2-CG2 4.04Å; V1280-M1381 HydrophobicContact CB-CB 4.26Å; V1280-M1381 HydrophobicContact CG1-CB 3.91Å
1281	A	92.4	Very high	89.8	Confident	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.2	-33.6	177.8	0	0	0	0	0	113.7	K1147 F1151 A1277 A1278 I1279 M1381	K1147-A1281 VanDerWaalsContact CD-O 3.26Å; K1147-A1281 WeakPolarHBondContact CD-O 3.2Å; K1147-A1281 WeakPolarHBondContact CE-O 3.48Å; F1151-A1281 HydrophobicContact CB-CB 4.3Å; F1151-A1281 HydrophobicContact CD1-CB 3.28Å; F1151-A1281 HydrophobicContact CD2-CB 4.18Å; F1151-A1281 HydrophobicContact CE1-CB 3.43Å; F1151-A1281 VanDerWaalsContact CE1-CB 3.43Å; F1151-A1281 HydrophobicContact CE2-CB 4.3Å; F1151-A1281 HydrophobicContact CG-CB 3.67Å; F1151-A1281 HydrophobicContact CZ-CB 3.93Å; A1277-A1281 WeakPolarHBondContact O-CB 3.48Å; A1277-A1281 PolarHBondContact O-N 2.89Å; A1277-A1281 VanDerWaalsContact O-N 3.09Å; A1278-A1281 PolarHBondContact O-N 3.35Å; I1279-A1281 VanDerWaalsContact C-N 3.3Å; I1279-A1281 PolarHBondContact O-N 2.91Å; A1281-M1381 HydrophobicContact CB-CB 4.25Å
1282	G	90	Very high	89.4	Confident	1 Å²	1	8.4 Å²	8.4	1%	0.01	4%	0.04	C	C	.	.	H	α-helix	trans	-82.2	-39.9	176.4	0	0	0	0	0	113.9	R1144 A1278 I1279 V1280 Y1284	R1144-G1282 WeakPolarHBondContact CB-O 3.23Å; R1144-G1282 VanDerWaalsContact O-CA 3.29Å; R1144-G1282 WeakPolarHBondContact O-CA 3.5Å; A1278-G1282 PolarHBondContact O-N 3.16Å; A1278-G1282 VanDerWaalsContact O-N 3.16Å; I1279-G1282 PolarHBondContact O-N 2.83Å; I1279-G1282 VanDerWaalsContact O-N 3.16Å; V1280-G1282 VanDerWaalsContact C-N 3.35Å; V1280-G1282 PolarHBondContact O-N 3.28Å; G1282-Y1284 VanDerWaalsContact C-N 3.29Å; G1282-Y1284 PolarHBondContact O-N 3.41Å
1283	M	88.3	Confident	88.5	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.01	8%	0.077	C	C	.	.	S	Bend	trans	-89.6	19.6	179.7	-66.7	-176.8	164.2	0	0	113.4	Y1145 L1168 H1201 I1279 G1285 N1286 V1335 N1337	Y1145-M1283 HydrophobicContact CE1-CE 4.4Å; L1168-M1283 HydrophobicContact CD1-CE 3.51Å; H1201-M1283 WeakPolarHBondContact NE2-CE 3.38Å; I1279-M1283 HydrophobicContact CG2-CG 4.31Å; I1279-M1283 HydrophobicContact CG2-SD 3.6Å; I1279-M1283 VanDerWaalsContact CG2-SD 3.6Å; I1279-M1283 WeakPolarHBondContact O-CB 3.36Å; I1279-M1283 PolarHBondContact O-N 3.21Å; M1283-G1285 PolarHBondContact O-N 3.47Å; M1283-N1286 HydrophobicContact CB-CB 4.44Å; M1283-N1286 WeakPolarHBondContact O-CA 3.33Å; M1283-N1286 WeakPolarHBondContact O-CB 3.47Å; M1283-N1286 PolarHBondContact O-N 3.3Å; M1283-V1335 HydrophobicContact CB-CG2 3.46Å; M1283-V1335 VanDerWaalsContact CB-CG2 3.46Å; M1283-V1335 HydrophobicContact CG-CG2 4.28Å; M1283-V1335 HydrophobicContact SD-CG2 3.88Å; M1283-N1337 HydrophobicContact CE-CB 4.07Å; M1283-N1337 WeakPolarHBondContact CE-OD1 3.39Å
1284	Y	81.4	Confident	87.6	Confident	24 Å²	24	19.7 Å²	19.7	9%	0.094	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	127.8	174.7	-179.9	-108	0	0	0	110.7	R1144 V1280 G1282 L1287 G1383 L1591	R1144-Y1284 PolarHBondContact NH1-O 3.31Å; V1280-Y1284 PolarHBondContact O-N 2.85Å; V1280-Y1284 VanDerWaalsContact O-N 3.11Å; G1282-Y1284 VanDerWaalsContact C-N 3.29Å; G1282-Y1284 PolarHBondContact O-N 3.41Å; Y1284-L1287 HydrophobicContact CD2-CD1 4.42Å; Y1284-G1383 VanDerWaalsContact CZ-CA 3.49Å; Y1284-G1383 VanDerWaalsContact CZ-N 3.26Å; Y1284-L1591 HydrophobicContact CE2-CD1 3.85Å
1285	G	77.6	Confident	86.8	Confident	14 Å²	14	22.7 Å²	22.7	14%	0.144	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-16.7	-167.1	0	0	0	0	0	114.6	M1283 N1301	M1283-G1285 PolarHBondContact O-N 3.47Å; G1285-N1301 PolarHBondContact O-ND2 3.44Å; G1285-N1301 PolarHBondContact O-OD1 3.41Å
1286	N	85.2	Confident	86.1	Confident	30 Å²	30	23.8 Å²	23.8	16%	0.16	13%	0.129	C	C	.	.			trans	-109.3	57.2	176.7	-63.5	17.1	0	0	0	110.2	M1283 F1336 N1337	M1283-N1286 HydrophobicContact CB-CB 4.44Å; M1283-N1286 WeakPolarHBondContact O-CA 3.33Å; M1283-N1286 WeakPolarHBondContact O-CB 3.47Å; M1283-N1286 PolarHBondContact O-N 3.3Å; N1286-F1336 VanDerWaalsContact C-CE1 3.43Å; N1286-F1336 HydrophobicContact CB-CD2 3.9Å; N1286-F1336 HydrophobicContact CB-CE2 3.58Å; N1286-F1336 HydrophobicContact CB-CZ 3.99Å; N1286-F1336 VanDerWaalsContact CB-O 3.29Å; N1286-F1336 WeakPolarHBondContact CB-O 3.26Å; N1286-F1336 WeakPolarHBondContact O-CD1 3.09Å; N1286-F1336 PolarHBondContact O-N 2.87Å; N1286-F1336 VanDerWaalsContact O-N 3.14Å; N1286-N1337 PolarHBondContact ND2-O 3.43Å
1287	L	88	Confident	85.6	Confident	4 Å²	4	24 Å²	24	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.8	-177.2	-64	176.1	0	0	0	111.5	Y1284 V1300 W1333 V1335 V1378 L1591	Y1284-L1287 HydrophobicContact CD2-CD1 4.42Å; L1287-V1300 PolarHBondContact O-N 3.31Å; L1287-W1333 HydrophobicContact CB-CE3 4.46Å; L1287-W1333 HydrophobicContact CB-CZ3 4.29Å; L1287-W1333 HydrophobicContact CD1-CZ3 4.3Å; L1287-V1335 HydrophobicContact CD2-CB 3.94Å; L1287-V1335 HydrophobicContact CD2-CG2 3.99Å; L1287-V1378 HydrophobicContact CD1-CG1 3.91Å; L1287-L1591 HydrophobicContact CD1-CD2 4.4Å
1288	A	87.9	Confident	84.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.5	172.9	0	0	0	0	0	111.2	R1298 L1334 F1336 I1367	A1288-R1298 CarbonylContact C-O 3.58Å; A1288-R1298 WeakPolarHBondContact CA-O 3.46Å; A1288-L1334 HydrophobicContact CB-CB 4.48Å; A1288-L1334 PolarHBondContact N-O 3.2Å; A1288-L1334 PolarHBondContact O-N 3.45Å; A1288-F1336 HydrophobicContact CB-CD1 4.04Å; A1288-F1336 HydrophobicContact CB-CE1 4.01Å; A1288-I1367 HydrophobicContact CB-CD1 4.05Å
1289	Q	86.5	Confident	84.1	Confident	5 Å²	5	26.1 Å²	26.1	2%	0.023	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.6	175.3	-170.2	-175.4	57.9	0	0	110.4	S135 T137 D1291 L1297 R1298 V1300 D1332	S135-Q1289 PolarHBondContact O-NE2 2.88Å; T137-Q1289 HydrophobicContact CG2-CG 4.47Å; Q1289-D1291 PolarHBondContact O-N 2.93Å; Q1289-L1297 WeakPolarHBondContact O-CA 3.42Å; Q1289-R1298 PolarHBondContact N-O 2.97Å; Q1289-R1298 PolarHBondContact O-N 2.97Å; Q1289-V1300 HydrophobicContact CB-CG2 3.72Å; Q1289-D1332 CarbonylContact C-O 3.41Å; Q1289-D1332 WeakPolarHBondContact CA-O 3.47Å
1290	V	85.6	Confident	83	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	104.9	171.8	-178.6	0	0	0	0	109.8	R1292 L1297 V1326 L1329 D1332 L1334	V1290-R1292 HydrophobicContact CG1-CG 3.68Å; V1290-R1292 PolarHBondContact O-N 2.9Å; V1290-L1297 HydrophobicContact CB-CD2 4.4Å; V1290-L1297 HydrophobicContact CG2-CD2 3.82Å; V1290-V1326 HydrophobicContact CG1-CG1 3.64Å; V1290-L1329 HydrophobicContact CG1-CD1 4.34Å; V1290-L1329 HydrophobicContact CG2-CB 4.48Å; V1290-L1329 HydrophobicContact CG2-CD1 3.62Å; V1290-D1332 HydrophobicContact CB-CB 4.15Å; V1290-D1332 PolarHBondContact N-O 3.31Å; V1290-L1334 HydrophobicContact CG2-CD1 3.71Å
1291	D	80.3	Confident	81.5	Confident	12 Å²	12	30 Å²	30	6%	0.064	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	85.5	170	179.8	-9	0	0	0	109.1	Q1289 N1293 N1294 S1295 C1296 R1298	Q1289-D1291 PolarHBondContact O-N 2.93Å; D1291-N1293 PolarHBondContact O-N 3.06Å; D1291-N1293 WeakPolarHBondContact OD1-CB 3.23Å; D1291-N1293 PolarHBondContact OD1-N 2.84Å; D1291-N1294 VanDerWaalsContact CG-ND2 3.32Å; D1291-N1294 CarbonylContact O-C 3.4Å; D1291-N1294 PolarHBondContact O-N 3.49Å; D1291-N1294 PolarHBondContact OD1-N 2.98Å; D1291-N1294 PolarHBondContact OD1-ND2 2.94Å; D1291-N1294 VanDerWaalsContact OD1-ND2 3.12Å; D1291-N1294 WeakPolarHBondContact OD2-CB 3.49Å; D1291-N1294 PolarHBondContact OD2-ND2 3.33Å; D1291-S1295 WeakPolarHBondContact O-CA 3.36Å; D1291-S1295 PolarHBondContact O-N 3.11Å; D1291-C1296 WeakPolarHBondContact CA-O 3.48Å; D1291-C1296 WeakPolarHBondContact CB-O 3.47Å; D1291-C1296 PolarHBondContact N-O 3.16Å; D1291-C1296 PolarHBondContact O-N 3.43Å; D1291-R1298 HydrophobicContact CB-CG 4.39Å; D1291-R1298 IonicContact OD2-CZ 2.76Å; D1291-R1298 IonicContact OD2-NE 3.4Å; D1291-R1298 PolarHBondContact OD2-NE 3.06Å; D1291-R1298 IonicContact OD2-NH2 3.63Å; D1291-R1298 PolarHBondContact OD2-NH2 3.25Å
1292	R	82.4	Confident	79.6	Confident	81 Å²	81	32.2 Å²	32.2	31%	0.306	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.7	178.7	-62.5	-176.3	-177.4	-91	-5.9	112.3	V1290 N1294 S1295 N1327 L1329 D1332	V1290-R1292 HydrophobicContact CG1-CG 3.68Å; V1290-R1292 PolarHBondContact O-N 2.9Å; R1292-N1294 VanDerWaalsContact C-N 3.35Å; R1292-N1294 PolarHBondContact O-N 3.4Å; R1292-S1295 PolarHBondContact O-N 3.17Å; R1292-S1295 PolarHBondContact O-OG 2.89Å; R1292-N1327 PolarHBondContact NH1-O 3.28Å; R1292-N1327 PolarHBondContact O-OD1 3.14Å; R1292-L1329 PolarHBondContact NH2-O 3.37Å; R1292-D1332 IonicContact CZ-OD1 2.81Å; R1292-D1332 IonicContact NE-OD1 2.69Å; R1292-D1332 PolarHBondContact NE-OD1 3.39Å; R1292-D1332 IonicContact NH2-OD1 2.69Å; R1292-D1332 PolarHBondContact NH2-OD1 3.48Å
1293	N	75.3	Confident	77.9	Confident	142 Å²	142	38.9 Å²	38.9	76%	0.759	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-39.3	-179.2	-64.1	-27.7	0	0	0	112	D1291	D1291-N1293 PolarHBondContact O-N 3.06Å; D1291-N1293 WeakPolarHBondContact OD1-CB 3.23Å; D1291-N1293 PolarHBondContact OD1-N 2.84Å
1294	N	72.8	Confident	76.5	Confident	96 Å²	96	40.6 Å²	40.6	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	4.9	175.6	-62.2	-82.9	0	0	0	113.2	D1291 R1292 C1296 R1298	D1291-N1294 VanDerWaalsContact CG-ND2 3.32Å; D1291-N1294 CarbonylContact O-C 3.4Å; D1291-N1294 PolarHBondContact O-N 3.49Å; D1291-N1294 PolarHBondContact OD1-N 2.98Å; D1291-N1294 PolarHBondContact OD1-ND2 2.94Å; D1291-N1294 VanDerWaalsContact OD1-ND2 3.12Å; D1291-N1294 WeakPolarHBondContact OD2-CB 3.49Å; D1291-N1294 PolarHBondContact OD2-ND2 3.33Å; R1292-N1294 VanDerWaalsContact C-N 3.35Å; R1292-N1294 PolarHBondContact O-N 3.4Å; N1294-C1296 VanDerWaalsContact C-N 3.27Å; N1294-C1296 PolarHBondContact O-N 2.87Å; N1294-R1298 PolarHBondContact ND2-NH2 3.21Å
1295	S	77.5	Confident	75.7	Confident	62 Å²	62	44.4 Å²	44.4	43%	0.434	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	42.9	-176.7	-63.5	0	0	0	0	113.9	D1291 R1292 N1327	D1291-S1295 WeakPolarHBondContact O-CA 3.36Å; D1291-S1295 PolarHBondContact O-N 3.11Å; R1292-S1295 PolarHBondContact O-N 3.17Å; R1292-S1295 PolarHBondContact O-OG 2.89Å; S1295-N1327 PolarHBondContact OG-ND2 3.16Å
1296	C	80.8	Confident	75.5	Confident	24 Å²	24	46.6 Å²	46.6	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.5	-177.4	69.9	0	0	0	0	112.8	D1291 N1294 P1306	D1291-C1296 WeakPolarHBondContact CA-O 3.48Å; D1291-C1296 WeakPolarHBondContact CB-O 3.47Å; D1291-C1296 PolarHBondContact N-O 3.16Å; D1291-C1296 PolarHBondContact O-N 3.43Å; N1294-C1296 VanDerWaalsContact C-N 3.27Å; N1294-C1296 PolarHBondContact O-N 2.87Å; C1296-P1306 HydrophobicContact CB-CB 4.46Å
1297	L	84.3	Confident	75.2	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.2	169.5	-58.9	-178.5	0	0	0	109.3	Q1289 V1290 P1306 V1307 L1309 V1326 L1329 L1334 I1367	Q1289-L1297 WeakPolarHBondContact O-CA 3.42Å; V1290-L1297 HydrophobicContact CB-CD2 4.4Å; V1290-L1297 HydrophobicContact CG2-CD2 3.82Å; L1297-P1306 CarbonylContact O-C 3.58Å; L1297-P1306 VanDerWaalsContact O-CA 3.24Å; L1297-P1306 WeakPolarHBondContact O-CA 3.24Å; L1297-V1307 HydrophobicContact CB-CG2 3.67Å; L1297-V1307 PolarHBondContact O-N 3.48Å; L1297-L1309 HydrophobicContact CD1-CD1 4.3Å; L1297-L1309 HydrophobicContact CD1-CD2 3.85Å; L1297-L1309 HydrophobicContact CD1-CG 3.79Å; L1297-V1326 HydrophobicContact CD2-CG1 3.94Å; L1297-V1326 HydrophobicContact CG-CG2 4.41Å; L1297-L1329 HydrophobicContact CD2-CD1 3.93Å; L1297-L1334 HydrophobicContact CD2-CD1 3.92Å; L1297-I1367 HydrophobicContact CD1-CD1 4.31Å
1298	R	81.5	Confident	74.7	Confident	29 Å²	29	48.9 Å²	48.9	11%	0.109	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.3	173.6	-62	-177.9	-172	-97.6	3	111	A1288 Q1289 D1291 N1294 S1304 M1305	A1288-R1298 CarbonylContact C-O 3.58Å; A1288-R1298 WeakPolarHBondContact CA-O 3.46Å; Q1289-R1298 PolarHBondContact N-O 2.97Å; Q1289-R1298 PolarHBondContact O-N 2.97Å; D1291-R1298 HydrophobicContact CB-CG 4.39Å; D1291-R1298 IonicContact OD2-CZ 2.76Å; D1291-R1298 IonicContact OD2-NE 3.4Å; D1291-R1298 PolarHBondContact OD2-NE 3.06Å; D1291-R1298 IonicContact OD2-NH2 3.63Å; D1291-R1298 PolarHBondContact OD2-NH2 3.25Å; N1294-R1298 PolarHBondContact ND2-NH2 3.21Å; R1298-S1304 PolarHBondContact NH1-O 3.29Å; R1298-M1305 WeakPolarHBondContact CA-O 3.46Å
1299	I	78.8	Confident	74.4	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.5	169.9	-69	167.6	0	0	0	109.5	N1301 V1307 F1336 V1339 I1367	I1299-N1301 HydrophobicContact CG2-CB 4.02Å; I1299-N1301 WeakPolarHBondContact CG2-OD1 3.2Å; I1299-N1301 PolarHBondContact O-N 2.8Å; I1299-N1301 VanDerWaalsContact O-N 3.08Å; I1299-V1307 HydrophobicContact CD1-CG1 3.61Å; I1299-V1307 HydrophobicContact CG1-CG1 3.71Å; I1299-V1307 HydrophobicContact CG1-CG2 4.44Å; I1299-F1336 HydrophobicContact CD1-CZ 4.17Å; I1299-F1336 HydrophobicContact CG1-CE1 4Å; I1299-F1336 HydrophobicContact CG1-CZ 3.96Å; I1299-F1336 HydrophobicContact CG2-CZ 4.37Å; I1299-V1339 HydrophobicContact CD1-CB 4.38Å; I1299-V1339 HydrophobicContact CD1-CG1 3.76Å; I1299-V1339 HydrophobicContact CD1-CG2 3.67Å; I1299-I1367 HydrophobicContact CD1-CG2 4.29Å; I1299-I1367 HydrophobicContact CG1-CG2 4.48Å
1300	V	71.5	Confident	73.8	Confident	14 Å²	14	50.4 Å²	50.4	9%	0.085	29%	0.286	C	S	.	.	S	Bend	trans	-89.4	52.8	-175.5	-167.2	0	0	0	0	111.3	L1287 Q1289 W1333 F1590 L1591	L1287-V1300 PolarHBondContact O-N 3.31Å; Q1289-V1300 HydrophobicContact CB-CG2 3.72Å; V1300-W1333 HydrophobicContact CB-CZ3 4.37Å; V1300-W1333 HydrophobicContact CG1-CH2 4.19Å; V1300-W1333 HydrophobicContact CG1-CZ3 4.3Å; V1300-W1333 HydrophobicContact CG2-CH2 4.15Å; V1300-W1333 HydrophobicContact CG2-CZ3 3.76Å; V1300-F1590 HydrophobicContact CG1-CB 4.37Å; V1300-L1591 HydrophobicContact CG1-CD2 4.23Å
1301	N	64	Low	73.2	Confident	70 Å²	70	54.6 Å²	54.6	37%	0.374	31%	0.313	S	S	.	.	S	Bend	trans	-124.1	163.2	174.2	-57	37.8	0	0	0	107.7	G1285 I1299 N1303 S1304	G1285-N1301 PolarHBondContact O-ND2 3.44Å; G1285-N1301 PolarHBondContact O-OD1 3.41Å; I1299-N1301 HydrophobicContact CG2-CB 4.02Å; I1299-N1301 WeakPolarHBondContact CG2-OD1 3.2Å; I1299-N1301 PolarHBondContact O-N 2.8Å; I1299-N1301 VanDerWaalsContact O-N 3.08Å; N1301-N1303 CarbonylContact O-C 3.53Å; N1301-N1303 PolarHBondContact O-N 3.3Å; N1301-S1304 PolarHBondContact O-N 2.8Å; N1301-S1304 PolarHBondContact O-OG 2.76Å
1302	G	51.6	Low	72.9	Confident	46 Å²	46	55.6 Å²	55.6	47%	0.474	32%	0.317	S	S	.	.	S	Bend	trans	-57.2	-8.6	-169.2	0	0	0	0	0	118.1
1303	N	53.7	Low	73	Confident	141 Å²	141	51.9 Å²	51.9	75%	0.754	30%	0.304	S	S	*	.	S	Bend	trans	-113.9	86.6	166.1	-72.6	-51.8	0	0	0	109.4	N1301 M1305	N1301-N1303 CarbonylContact O-C 3.53Å; N1301-N1303 PolarHBondContact O-N 3.3Å; N1303-M1305 PolarHBondContact O-N 2.71Å
1304	S	59.6	Low	73.4	Confident	38 Å²	38	45.9 Å²	45.9	27%	0.266	27%	0.272	S	S	.	.			trans	-73.6	56.4	-171.2	-45.9	0	0	0	0	114.7	R1298 N1301	R1298-S1304 PolarHBondContact NH1-O 3.29Å; N1301-S1304 PolarHBondContact O-N 2.8Å; N1301-S1304 PolarHBondContact O-OG 2.76Å
1305	M	65.4	Low	74.1	Confident	104 Å²	104	41.3 Å²	41.3	51%	0.512	25%	0.248	S	C	.	.			trans	-70.8	146.2	-179	-65.6	-62.6	-72.2	0	0	111.9	R1298 N1303	R1298-M1305 WeakPolarHBondContact CA-O 3.46Å; N1303-M1305 PolarHBondContact O-N 2.71Å
1306	P	73.5	Confident	74.1	Confident	60 Å²	60	39 Å²	39	39%	0.39	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.4	173.8	29.9	-35	0	0	0	111.4	C1296 L1297	C1296-P1306 HydrophobicContact CB-CB 4.46Å; L1297-P1306 CarbonylContact O-C 3.58Å; L1297-P1306 VanDerWaalsContact O-CA 3.24Å; L1297-P1306 WeakPolarHBondContact O-CA 3.24Å
1307	V	77.7	Confident	73.5	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.1	178	-53	0	0	0	0	111.8	L1297 I1299 K1365 I1367	L1297-V1307 HydrophobicContact CB-CG2 3.67Å; L1297-V1307 PolarHBondContact O-N 3.48Å; I1299-V1307 HydrophobicContact CD1-CG1 3.61Å; I1299-V1307 HydrophobicContact CG1-CG1 3.71Å; I1299-V1307 HydrophobicContact CG1-CG2 4.44Å; V1307-K1365 CarbonylContact C-O 3.5Å; V1307-K1365 WeakPolarHBondContact CA-O 3.32Å; V1307-K1365 HydrophobicContact CB-CB 4.31Å; V1307-K1365 HydrophobicContact CG1-CB 3.74Å; V1307-I1367 HydrophobicContact CB-CG2 4.31Å; V1307-I1367 HydrophobicContact CG2-CD1 4.14Å; V1307-I1367 HydrophobicContact CG2-CG1 4.3Å; V1307-I1367 HydrophobicContact CG2-CG2 4.06Å
1308	V	78	Confident	72.7	Confident	74 Å²	74	41.5 Å²	41.5	45%	0.448	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.1	177.7	-177.4	0	0	0	0	109.3	L1364 K1365 I1366 I1367	V1308-L1364 HydrophobicContact CB-CD1 4.33Å; V1308-L1364 HydrophobicContact CG2-CD1 3.71Å; V1308-K1365 PolarHBondContact N-O 3.18Å; V1308-I1366 CarbonylContact O-C 3.57Å; V1308-I1366 VanDerWaalsContact O-CA 3.28Å; V1308-I1366 WeakPolarHBondContact O-CA 3.5Å; V1308-I1367 PolarHBondContact O-N 3.04Å
1309	L	80.9	Confident	71.6	Confident	21 Å²	21	44.3 Å²	44.3	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.6	174.8	-65.3	165.4	0	0	0	110.9	L1297 I1315 A1316 L1334 I1367 V1370	L1297-L1309 HydrophobicContact CD1-CD1 4.3Å; L1297-L1309 HydrophobicContact CD1-CD2 3.85Å; L1297-L1309 HydrophobicContact CD1-CG 3.79Å; L1309-I1315 HydrophobicContact CD1-CB 3.94Å; L1309-I1315 HydrophobicContact CD1-CG2 3.64Å; L1309-A1316 HydrophobicContact CB-CB 3.87Å; L1309-A1316 HydrophobicContact CD1-CB 4.46Å; L1309-L1334 HydrophobicContact CD2-CD2 4.48Å; L1309-I1367 HydrophobicContact CD2-CD1 4.02Å; L1309-I1367 HydrophobicContact CD2-CG1 4.08Å; L1309-V1370 HydrophobicContact CD2-CB 4.4Å; L1309-V1370 HydrophobicContact CD2-CG1 4.19Å; L1309-V1370 HydrophobicContact CD2-CG2 4.02Å
1310	D	75.3	Confident	70.3	Confident	16 Å²	16	50.9 Å²	50.9	9%	0.086	31%	0.31	C	S	.	.			trans	-57.5	130.9	167	-170	-53.8	0	0	0	110.5	Q1312 S1313 A1316 I1366 I1367 R1368	D1310-Q1312 PolarHBondContact O-N 2.78Å; D1310-Q1312 WeakPolarHBondContact OD1-CB 3.37Å; D1310-Q1312 WeakPolarHBondContact OD1-CG 3.1Å; D1310-Q1312 PolarHBondContact OD1-N 2.95Å; D1310-S1313 WeakPolarHBondContact O-CB 3.42Å; D1310-S1313 PolarHBondContact O-N 2.83Å; D1310-A1316 WeakPolarHBondContact O-CB 3.35Å; D1310-I1366 HydrophobicContact CB-CG2 4.06Å; D1310-I1367 PolarHBondContact N-O 3.02Å; D1310-R1368 HydrophobicContact CB-CB 4.46Å; D1310-R1368 HydrophobicContact CB-CG 4.07Å; D1310-R1368 WeakPolarHBondContact OD2-CD 3.34Å; D1310-R1368 WeakPolarHBondContact OD2-CG 3.48Å; D1310-R1368 IonicContact OD2-CZ 3.46Å; D1310-R1368 IonicContact OD2-NE 3.16Å; D1310-R1368 PolarHBondContact OD2-NE 2.77Å; D1310-R1368 IonicContact OD2-NH2 3.46Å
1311	P	71.2	Confident	69.5	Low	89 Å²	89	52.3 Å²	52.3	58%	0.578	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.5	177	-27.1	35.8	0	0	0	115.5
1312	Q	75	Confident	68.8	Low	33 Å²	33	51.5 Å²	51.5	15%	0.154	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.6	175.1	-47.2	-172.7	27.8	0	0	113.5	M1187 R1190 D1310	M1187-Q1312 HydrophobicContact CE-CB 4.14Å; M1187-Q1312 HydrophobicContact CE-CG 4.03Å; R1190-Q1312 PolarHBondContact NE-O 2.87Å; R1190-Q1312 PolarHBondContact NH2-O 3.17Å; D1310-Q1312 PolarHBondContact O-N 2.78Å; D1310-Q1312 WeakPolarHBondContact OD1-CB 3.37Å; D1310-Q1312 WeakPolarHBondContact OD1-CG 3.1Å; D1310-Q1312 PolarHBondContact OD1-N 2.95Å
1313	S	83.8	Confident	69.3	Low	3 Å²	3	57.7 Å²	57.7	2%	0.021	35%	0.347	C	S	.	.	S	Bend	trans	-67.7	136.6	174.3	-177.3	0	0	0	0	110.5	D1200 D1310 I1315 A1316	D1200-S1313 VanDerWaalsContact OD1-CA 3.32Å; D1200-S1313 WeakPolarHBondContact OD1-CA 3.41Å; D1200-S1313 VanDerWaalsContact OD2-CB 3.31Å; D1200-S1313 WeakPolarHBondContact OD2-CB 3.39Å; D1200-S1313 PolarHBondContact OD2-OG 2.92Å; D1310-S1313 WeakPolarHBondContact O-CB 3.42Å; D1310-S1313 PolarHBondContact O-N 2.83Å; S1313-I1315 PolarHBondContact O-N 3.44Å; S1313-I1315 PolarHBondContact OG-N 3.26Å; S1313-A1316 PolarHBondContact O-N 3.41Å
1314	V	85.5	Confident	70.1	Confident	16 Å²	16	52.7 Å²	52.7	10%	0.097	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-6.7	175	-62	0	0	0	0	114.1	R1190 D1200 V1203	R1190-V1314 HydrophobicContact CB-CG1 3.74Å; R1190-V1314 WeakPolarHBondContact O-CG1 3.43Å; D1200-V1314 PolarHBondContact OD1-N 3.11Å; V1203-V1314 HydrophobicContact CG2-CG1 3.75Å
1315	I	85.9	Confident	70.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-20.1	178.8	-49	177.2	0	0	0	110.9	L1309 S1313 M1324 L1329 L1334 V1370 I1372	L1309-I1315 HydrophobicContact CD1-CB 3.94Å; L1309-I1315 HydrophobicContact CD1-CG2 3.64Å; S1313-I1315 PolarHBondContact O-N 3.44Å; S1313-I1315 PolarHBondContact OG-N 3.26Å; I1315-M1324 HydrophobicContact CG2-CE 3.68Å; I1315-M1324 WeakPolarHBondContact O-CB 3.37Å; I1315-M1324 VanDerWaalsContact O-CE 3.3Å; I1315-M1324 WeakPolarHBondContact O-CE 3.44Å; I1315-L1329 HydrophobicContact CG2-CD2 3.71Å; I1315-L1334 HydrophobicContact CD1-CD2 4.26Å; I1315-L1334 HydrophobicContact CG2-CD2 4.48Å; I1315-V1370 HydrophobicContact CD1-CB 3.93Å; I1315-V1370 HydrophobicContact CD1-CG1 3.8Å; I1315-I1372 HydrophobicContact CD1-CG1 3.98Å; I1315-I1372 HydrophobicContact CG2-CD1 4.5Å
1316	A	78.3	Confident	71.3	Confident	14 Å²	14	51 Å²	51	12%	0.116	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-27.6	-172	0	0	0	0	0	114.5	L1309 D1310 S1313 M1324	L1309-A1316 HydrophobicContact CB-CB 3.87Å; L1309-A1316 HydrophobicContact CD1-CB 4.46Å; D1310-A1316 WeakPolarHBondContact O-CB 3.35Å; S1313-A1316 PolarHBondContact O-N 3.41Å; A1316-M1324 PolarHBondContact O-N 2.85Å
1317	T	68.7	Low	71.5	Confident	30 Å²	30	50.6 Å²	50.6	18%	0.184	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-130.9	137	-178.2	54.3	0	0	0	0	112.6	R1191 A1322	R1191-T1317 PolarHBondContact NH2-OG1 3.49Å; T1317-A1322 CarbonylContact C-O 3.59Å; T1317-A1322 VanDerWaalsContact CA-O 3.25Å; T1317-A1322 WeakPolarHBondContact CA-O 3.37Å
1318	N	66.4	Low	71.7	Confident	50 Å²	50	55.1 Å²	55.1	27%	0.267	33%	0.33	S	S	.	.			trans	-73	178.3	177.2	71.3	30.1	0	0	0	112.1	R1191 N1320 G1321 A1322 M1324	R1191-N1318 PolarHBondContact NH2-O 3.47Å; N1318-N1320 PolarHBondContact O-N 2.86Å; N1318-N1320 VanDerWaalsContact O-N 3.11Å; N1318-N1320 WeakPolarHBondContact OD1-CA 3.41Å; N1318-N1320 WeakPolarHBondContact OD1-CB 3.3Å; N1318-N1320 PolarHBondContact OD1-N 3.42Å; N1318-G1321 PolarHBondContact O-N 3.39Å; N1318-G1321 PolarHBondContact OD1-N 3.5Å; N1318-A1322 PolarHBondContact N-O 3.02Å; N1318-A1322 PolarHBondContact OD1-N 2.92Å; N1318-A1322 PolarHBondContact OD1-O 3.33Å; N1318-M1324 HydrophobicContact CB-CG 4.39Å
1319	A	59.4	Low	71.9	Confident	89 Å²	89	51.9 Å²	51.9	74%	0.736	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.1	-177.8	0	0	0	0	0	114.2	G1321	A1319-G1321 VanDerWaalsContact C-N 3.33Å
1320	N	51	Low	72.1	Confident	154 Å²	154	53 Å²	53	82%	0.824	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.5	179.3	-61.2	-4.6	0	0	0	112.6	N1318	N1318-N1320 PolarHBondContact O-N 2.86Å; N1318-N1320 VanDerWaalsContact O-N 3.11Å; N1318-N1320 WeakPolarHBondContact OD1-CA 3.41Å; N1318-N1320 WeakPolarHBondContact OD1-CB 3.3Å; N1318-N1320 PolarHBondContact OD1-N 3.42Å
1321	G	53.9	Low	72.5	Confident	43 Å²	43	52.6 Å²	52.6	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	83.9	2.4	-176.7	0	0	0	0	0	115.3	N1318 A1319	N1318-G1321 PolarHBondContact O-N 3.39Å; N1318-G1321 PolarHBondContact OD1-N 3.5Å; A1319-G1321 VanDerWaalsContact C-N 3.33Å
1322	A	50.5	Low	73.1	Confident	54 Å²	54	50.2 Å²	50.2	45%	0.446	30%	0.299	S	S	.	.	S	Bend	trans	-77.2	157.1	169.4	0	0	0	0	0	110.7	T1317 N1318 M1324	T1317-A1322 CarbonylContact C-O 3.59Å; T1317-A1322 VanDerWaalsContact CA-O 3.25Å; T1317-A1322 WeakPolarHBondContact CA-O 3.37Å; N1318-A1322 PolarHBondContact N-O 3.02Å; N1318-A1322 PolarHBondContact OD1-N 2.92Å; N1318-A1322 PolarHBondContact OD1-O 3.33Å; A1322-M1324 PolarHBondContact O-N 3.33Å
1323	E	61.5	Low	73.8	Confident	176 Å²	176	48.8 Å²	48.8	82%	0.822	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-53.6	135.1	173.7	-64.5	-175.8	156.9	0	0	110.5
1324	M	71.7	Confident	74.3	Confident	35 Å²	35	48.6 Å²	48.6	17%	0.172	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-78.9	126.5	179.9	-161	173.7	79.5	0	0	110	Y1198 I1315 A1316 N1318 A1322 V1326 L1329	Y1198-M1324 HydrophobicContact CE1-SD 4.49Å; I1315-M1324 HydrophobicContact CG2-CE 3.68Å; I1315-M1324 WeakPolarHBondContact O-CB 3.37Å; I1315-M1324 VanDerWaalsContact O-CE 3.3Å; I1315-M1324 WeakPolarHBondContact O-CE 3.44Å; A1316-M1324 PolarHBondContact O-N 2.85Å; N1318-M1324 HydrophobicContact CB-CG 4.39Å; A1322-M1324 PolarHBondContact O-N 3.33Å; M1324-V1326 PolarHBondContact O-N 3.22Å; M1324-L1329 HydrophobicContact CE-CD2 3.31Å; M1324-L1329 HydrophobicContact CE-CG 3.98Å
1325	N	73	Confident	74.6	Confident	78 Å²	78	47.9 Å²	47.9	42%	0.417	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64.9	129.2	176.9	-177.6	-5.2	0	0	0	109.2	N1327 D1328	N1325-N1327 PolarHBondContact O-N 2.85Å; N1325-N1327 VanDerWaalsContact O-N 3.08Å; N1325-N1327 PolarHBondContact OD1-N 3.31Å; N1325-N1327 PolarHBondContact OD1-ND2 2.96Å; N1325-D1328 WeakPolarHBondContact CB-OD2 3.41Å; N1325-D1328 WeakPolarHBondContact O-CB 3.43Å; N1325-D1328 PolarHBondContact O-N 3.28Å
1326	V	75.9	Confident	74.9	Confident	28 Å²	28	48 Å²	48	17%	0.17	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-55.7	-27.4	177.9	172.6	0	0	0	0	111.8	V1290 L1297 M1324 D1328 L1329	V1290-V1326 HydrophobicContact CG1-CG1 3.64Å; L1297-V1326 HydrophobicContact CD2-CG1 3.94Å; L1297-V1326 HydrophobicContact CG-CG2 4.41Å; M1324-V1326 PolarHBondContact O-N 3.22Å; V1326-D1328 VanDerWaalsContact C-N 3.33Å; V1326-D1328 PolarHBondContact O-N 2.94Å; V1326-L1329 HydrophobicContact CG1-CD1 4.27Å; V1326-L1329 WeakPolarHBondContact O-CB 3.39Å; V1326-L1329 WeakPolarHBondContact O-CD1 3.39Å; V1326-L1329 WeakPolarHBondContact O-CG 3.41Å
1327	N	78.5	Confident	75.3	Confident	52 Å²	52	48.2 Å²	48.2	28%	0.278	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-73.8	-19.5	176.4	-62.5	-74	0	0	0	114.2	R1292 S1295 N1325 L1329	R1292-N1327 PolarHBondContact NH1-O 3.28Å; R1292-N1327 PolarHBondContact O-OD1 3.14Å; S1295-N1327 PolarHBondContact OG-ND2 3.16Å; N1325-N1327 PolarHBondContact O-N 2.85Å; N1325-N1327 VanDerWaalsContact O-N 3.08Å; N1325-N1327 PolarHBondContact OD1-N 3.31Å; N1325-N1327 PolarHBondContact OD1-ND2 2.96Å; N1327-L1329 VanDerWaalsContact C-N 3.26Å; N1327-L1329 PolarHBondContact O-N 3.49Å
1328	D	81.5	Confident	75.6	Confident	103 Å²	103	49 Å²	49	55%	0.551	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-83.5	-3.4	179.6	-58	-14.6	0	0	0	112.1	N1325 V1326	N1325-D1328 WeakPolarHBondContact CB-OD2 3.41Å; N1325-D1328 WeakPolarHBondContact O-CB 3.43Å; N1325-D1328 PolarHBondContact O-N 3.28Å; V1326-D1328 VanDerWaalsContact C-N 3.33Å; V1326-D1328 PolarHBondContact O-N 2.94Å
1329	L	83.3	Confident	75.8	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	28%	0.28	C	S	.	.			trans	-65.2	130.8	177.3	-72.5	167.6	0	0	0	111.3	V1290 R1292 L1297 I1315 M1324 V1326 N1327 C1331 I1372	V1290-L1329 HydrophobicContact CG1-CD1 4.34Å; V1290-L1329 HydrophobicContact CG2-CB 4.48Å; V1290-L1329 HydrophobicContact CG2-CD1 3.62Å; R1292-L1329 PolarHBondContact NH2-O 3.37Å; L1297-L1329 HydrophobicContact CD2-CD1 3.93Å; I1315-L1329 HydrophobicContact CG2-CD2 3.71Å; M1324-L1329 HydrophobicContact CE-CD2 3.31Å; M1324-L1329 HydrophobicContact CE-CG 3.98Å; V1326-L1329 HydrophobicContact CG1-CD1 4.27Å; V1326-L1329 WeakPolarHBondContact O-CB 3.39Å; V1326-L1329 WeakPolarHBondContact O-CD1 3.39Å; V1326-L1329 WeakPolarHBondContact O-CG 3.41Å; N1327-L1329 VanDerWaalsContact C-N 3.26Å; N1327-L1329 PolarHBondContact O-N 3.49Å; L1329-C1331 VanDerWaalsContact C-N 3.32Å; L1329-C1331 PolarHBondContact O-N 3.44Å; L1329-I1372 HydrophobicContact CD2-CD1 3.49Å; L1329-I1372 VanDerWaalsContact CD2-CD1 3.49Å; L1329-I1372 HydrophobicContact CD2-CG1 4.45Å
1330	P	83.5	Confident	75.9	Confident	45 Å²	45	45.6 Å²	45.6	29%	0.292	26%	0.258	S	S	.	.	S	Bend	trans	-68.5	-22.3	-174.1	24.7	-34.8	0	0	0	115	Y1198 I1372 L1649	Y1198-P1330 HydrophobicContact CD2-CG 4.27Å; Y1198-P1330 HydrophobicContact CE2-CG 4.21Å; P1330-I1372 HydrophobicContact CG-CD1 3.98Å; P1330-I1372 HydrophobicContact CG-CG2 4.41Å; P1330-L1649 HydrophobicContact CB-CD2 4.15Å; P1330-L1649 HydrophobicContact CG-CD2 3.75Å
1331	C	83.5	Confident	76	Confident	7 Å²	7	38.6 Å²	38.6	5%	0.047	22%	0.22	C	C	.	.	S	Bend	trans	-154.1	166.7	169.6	62.7	0	0	0	0	112.3	L1329 W1333 I1372 V1373 L1647	L1329-C1331 VanDerWaalsContact C-N 3.32Å; L1329-C1331 PolarHBondContact O-N 3.44Å; C1331-W1333 VanDerWaalsContact C-N 3.33Å; C1331-W1333 PolarHBondContact O-N 2.91Å; C1331-I1372 WeakPolarHBondContact SG-CG2 2.92Å; C1331-V1373 PolarHBondContact SG-O 3.28Å; C1331-L1647 HydrophobicContact CB-CD1 4.17Å; C1331-L1647 HydrophobicContact CB-CD2 4.35Å
1332	D	85.2	Confident	75.8	Confident	40 Å²	40	38.6 Å²	38.6	21%	0.214	21%	0.21	C	C	.	.	S	Bend	trans	-86.8	6.6	-159.3	-54.3	-27.7	0	0	0	115.6	T137 Q1289 V1290 R1292	T137-D1332 HydrophobicContact CG2-CB 4.07Å; Q1289-D1332 CarbonylContact C-O 3.41Å; Q1289-D1332 WeakPolarHBondContact CA-O 3.47Å; V1290-D1332 HydrophobicContact CB-CB 4.15Å; V1290-D1332 PolarHBondContact N-O 3.31Å; R1292-D1332 IonicContact CZ-OD1 2.81Å; R1292-D1332 IonicContact NE-OD1 2.69Å; R1292-D1332 PolarHBondContact NE-OD1 3.39Å; R1292-D1332 IonicContact NH2-OD1 2.69Å; R1292-D1332 PolarHBondContact NH2-OD1 3.48Å
1333	W	89.6	Confident	75.4	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.1	-173.7	-70.9	88	0	0	0	112.4	T137 L1287 V1300 C1331 V1373 V1378 L1591 F1593	T137-W1333 HydrophobicContact CG2-CZ2 4.36Å; L1287-W1333 HydrophobicContact CB-CE3 4.46Å; L1287-W1333 HydrophobicContact CB-CZ3 4.29Å; L1287-W1333 HydrophobicContact CD1-CZ3 4.3Å; V1300-W1333 HydrophobicContact CB-CZ3 4.37Å; V1300-W1333 HydrophobicContact CG1-CH2 4.19Å; V1300-W1333 HydrophobicContact CG1-CZ3 4.3Å; V1300-W1333 HydrophobicContact CG2-CH2 4.15Å; V1300-W1333 HydrophobicContact CG2-CZ3 3.76Å; C1331-W1333 VanDerWaalsContact C-N 3.33Å; C1331-W1333 PolarHBondContact O-N 2.91Å; W1333-V1373 HydrophobicContact CB-CG2 3.94Å; W1333-V1373 PolarHBondContact O-N 3.06Å; W1333-V1378 HydrophobicContact CB-CG2 4.09Å; W1333-V1378 HydrophobicContact CD2-CG1 4.46Å; W1333-V1378 HydrophobicContact CD2-CG2 4.08Å; W1333-V1378 HydrophobicContact CE3-CG1 4.15Å; W1333-V1378 HydrophobicContact CE3-CG2 4.09Å; W1333-V1378 HydrophobicContact CG-CG2 4.09Å; W1333-V1378 HydrophobicContact CZ3-CG1 4.21Å; W1333-L1591 HydrophobicContact CH2-CD2 3.4Å; W1333-L1591 VanDerWaalsContact CH2-CD2 3.4Å; W1333-L1591 HydrophobicContact CZ2-CD2 4.38Å; W1333-L1591 HydrophobicContact CZ3-CD2 3.71Å; W1333-F1593 AromaticContact CZ2-CE1 3.95Å; W1333-F1593 HydrophobicContact CZ2-CE1 3.95Å; W1333-F1593 AromaticContact CZ2-CZ 3.96Å; W1333-F1593 HydrophobicContact CZ2-CZ 3.96Å; W1333-F1593 AromaticContact NE1-CE1 3.81Å
1334	L	92.7	Very high	74.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.1	173.9	-50.3	91.9	0	0	0	109.9	A1288 V1290 L1297 L1309 I1315 V1370 S1371 I1372	A1288-L1334 HydrophobicContact CB-CB 4.48Å; A1288-L1334 PolarHBondContact N-O 3.2Å; A1288-L1334 PolarHBondContact O-N 3.45Å; V1290-L1334 HydrophobicContact CG2-CD1 3.71Å; L1297-L1334 HydrophobicContact CD2-CD1 3.92Å; L1309-L1334 HydrophobicContact CD2-CD2 4.48Å; I1315-L1334 HydrophobicContact CD1-CD2 4.26Å; I1315-L1334 HydrophobicContact CG2-CD2 4.48Å; L1334-V1370 HydrophobicContact CB-CG1 3.83Å; L1334-V1370 HydrophobicContact CD2-CG1 3.64Å; L1334-V1370 HydrophobicContact CG-CG1 4.37Å; L1334-S1371 WeakPolarHBondContact CA-O 3.45Å; L1334-I1372 HydrophobicContact CD2-CG1 4.11Å; L1334-I1372 HydrophobicContact CG-CG1 4.36Å
1335	V	92.9	Very high	72.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.6	168.3	65.7	0	0	0	0	108.9	I1279 V1280 M1283 L1287 V1370 S1371 V1373	I1279-V1335 HydrophobicContact CG2-CG1 3.98Å; I1279-V1335 HydrophobicContact CG2-CG2 4.4Å; V1280-V1335 HydrophobicContact CG2-CB 4.32Å; V1280-V1335 HydrophobicContact CG2-CG1 4.19Å; M1283-V1335 HydrophobicContact CB-CG2 3.46Å; M1283-V1335 VanDerWaalsContact CB-CG2 3.46Å; M1283-V1335 HydrophobicContact CG-CG2 4.28Å; M1283-V1335 HydrophobicContact SD-CG2 3.88Å; L1287-V1335 HydrophobicContact CD2-CB 3.94Å; L1287-V1335 HydrophobicContact CD2-CG2 3.99Å; V1335-V1370 CarbonylContact O-C 3.46Å; V1335-V1370 WeakPolarHBondContact O-CA 3.26Å; V1335-S1371 PolarHBondContact N-O 3.48Å; V1335-S1371 PolarHBondContact O-N 3.35Å; V1335-V1373 HydrophobicContact CB-CG1 4.49Å; V1335-V1373 HydrophobicContact CG1-CG1 3.72Å
1336	F	91.6	Very high	70.7	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.6	-174.8	61	-102.4	0	0	0	111.8	N1286 A1288 I1299 V1339 I1367 V1370	N1286-F1336 VanDerWaalsContact C-CE1 3.43Å; N1286-F1336 HydrophobicContact CB-CD2 3.9Å; N1286-F1336 HydrophobicContact CB-CE2 3.58Å; N1286-F1336 HydrophobicContact CB-CZ 3.99Å; N1286-F1336 VanDerWaalsContact CB-O 3.29Å; N1286-F1336 WeakPolarHBondContact CB-O 3.26Å; N1286-F1336 WeakPolarHBondContact O-CD1 3.09Å; N1286-F1336 PolarHBondContact O-N 2.87Å; N1286-F1336 VanDerWaalsContact O-N 3.14Å; A1288-F1336 HydrophobicContact CB-CD1 4.04Å; A1288-F1336 HydrophobicContact CB-CE1 4.01Å; I1299-F1336 HydrophobicContact CD1-CZ 4.17Å; I1299-F1336 HydrophobicContact CG1-CE1 4Å; I1299-F1336 HydrophobicContact CG1-CZ 3.96Å; I1299-F1336 HydrophobicContact CG2-CZ 4.37Å; F1336-V1339 HydrophobicContact CD2-CG2 4.14Å; F1336-V1339 HydrophobicContact CE2-CG2 3.33Å; F1336-V1339 HydrophobicContact CZ-CG2 3.78Å; F1336-I1367 HydrophobicContact CB-CB 4.11Å; F1336-I1367 HydrophobicContact CB-CD1 4.43Å; F1336-I1367 HydrophobicContact CD1-CB 4.23Å; F1336-I1367 HydrophobicContact CD1-CD1 4.05Å; F1336-I1367 HydrophobicContact CD1-CG2 4.01Å; F1336-I1367 HydrophobicContact CD2-CB 4.4Å; F1336-I1367 HydrophobicContact CD2-CG2 4.23Å; F1336-I1367 HydrophobicContact CE1-CG2 4.13Å; F1336-I1367 HydrophobicContact CE2-CG2 4.39Å; F1336-I1367 HydrophobicContact CG-CB 4Å; F1336-I1367 HydrophobicContact CG-CD1 4.47Å; F1336-I1367 HydrophobicContact CG-CG2 4.07Å; F1336-I1367 HydrophobicContact CZ-CG2 4.34Å; F1336-V1370 HydrophobicContact CB-CG2 4.05Å
1337	N	86.8	Confident	68.5	Low	19 Å²	19	33.8 Å²	33.8	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-53.6	178	-167.1	70.1	0	0	0	112.2	Y1145 L1168 M1283 N1286 R1368 C1369	Y1145-N1337 PolarHBondContact OH-ND2 3.33Å; Y1145-N1337 PolarHBondContact OH-OD1 3.34Å; Y1145-N1337 VanDerWaalsContact OH-OD1 3.13Å; L1168-N1337 HydrophobicContact CD2-CB 4.43Å; M1283-N1337 HydrophobicContact CE-CB 4.07Å; M1283-N1337 WeakPolarHBondContact CE-OD1 3.39Å; N1286-N1337 PolarHBondContact ND2-O 3.43Å; N1337-R1368 PolarHBondContact N-O 3.25Å; N1337-C1369 HydrophobicContact CB-CB 3.98Å; N1337-C1369 PolarHBondContact N-O 2.96Å
1338	E	75	Confident	66.1	Low	46 Å²	46	38.5 Å²	38.5	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	166.3	-168.5	64.3	-169.2	-143.2	0	0	112.6	T1024 I1367 R1368	T1024-E1338 HydrophobicContact CG2-CB 4.36Å; E1338-I1367 WeakPolarHBondContact O-CA 3.48Å; E1338-R1368 HydrophobicContact CG-CB 3.79Å; E1338-R1368 HydrophobicContact CG-CG 4.17Å; E1338-R1368 PolarHBondContact O-N 3.17Å; E1338-R1368 VanDerWaalsContact O-N 3.11Å; E1338-R1368 VanDerWaalsContact OE1-CD 3.3Å; E1338-R1368 WeakPolarHBondContact OE1-CD 3.42Å; E1338-R1368 IonicContact OE1-CZ 3.44Å; E1338-R1368 IonicContact OE1-NE 2.71Å; E1338-R1368 IonicContact OE1-NH1 3.36Å; E1338-R1368 PolarHBondContact OE1-NH1 2.72Å
1339	V	71.6	Confident	63.4	Low	19 Å²	19	39.8 Å²	39.8	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.4	178.9	-165.9	0	0	0	0	110.1	T1022 I1299 F1336 K1365 I1366 I1367	T1022-V1339 WeakPolarHBondContact CB-O 3.43Å; T1022-V1339 WeakPolarHBondContact CG2-O 3.29Å; I1299-V1339 HydrophobicContact CD1-CB 4.38Å; I1299-V1339 HydrophobicContact CD1-CG1 3.76Å; I1299-V1339 HydrophobicContact CD1-CG2 3.67Å; F1336-V1339 HydrophobicContact CD2-CG2 4.14Å; F1336-V1339 HydrophobicContact CE2-CG2 3.33Å; F1336-V1339 HydrophobicContact CZ-CG2 3.78Å; V1339-K1365 HydrophobicContact CG1-CB 4.12Å; V1339-K1365 HydrophobicContact CG1-CD 4.07Å; V1339-K1365 HydrophobicContact CG1-CG 4.39Å; V1339-I1366 CarbonylContact C-O 3.46Å; V1339-I1366 WeakPolarHBondContact CA-O 3.44Å; V1339-I1367 HydrophobicContact CG1-CG2 4.31Å; V1339-I1367 HydrophobicContact CG2-CG2 4.23Å
1340	L	60.5	Low	60.8	Low	50 Å²	50	44.9 Å²	44.9	26%	0.262	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.4	166.9	-57.5	-171.8	0	0	0	109.4	K1365 I1366 R1368	L1340-K1365 CarbonylContact O-C 3.48Å; L1340-K1365 WeakPolarHBondContact O-CA 3.26Å; L1340-I1366 PolarHBondContact N-O 3.4Å; L1340-I1366 PolarHBondContact O-N 2.86Å; L1340-R1368 VanDerWaalsContact CD1-CD 3.46Å; L1340-R1368 HydrophobicContact CG-CG 4.34Å
1341	T	54.3	Low	58.1	Low	6 Å²	6	45.6 Å²	45.6	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	103.8	170.8	-59.3	0	0	0	0	108.2	T1343 K1363 K1365	T1341-T1343 PolarHBondContact O-N 2.99Å; T1341-T1343 VanDerWaalsContact O-N 3.14Å; T1341-K1363 HydrophobicContact CG2-CB 4.17Å; T1341-K1363 HydrophobicContact CG2-CD 4.39Å; T1341-K1365 HydrophobicContact CG2-CG 4.16Å; T1341-K1365 VanDerWaalsContact OG1-CE 3.27Å; T1341-K1365 WeakPolarHBondContact OG1-CE 3.49Å
1342	L	49.8	Very low	55.4	Low	43 Å²	43	50.2 Å²	50.2	23%	0.225	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	94.9	168.3	-66.3	-178.2	0	0	0	108.5	L1364 I1366 I1903	L1342-L1364 HydrophobicContact CB-CB 4.29Å; L1342-L1364 HydrophobicContact CD1-CD2 4.49Å; L1342-L1364 PolarHBondContact N-O 2.75Å; L1342-L1364 PolarHBondContact O-N 3.13Å; L1342-I1366 HydrophobicContact CD1-CD1 3.63Å; L1342-I1366 HydrophobicContact CG-CD1 4.25Å; L1342-I1903 HydrophobicContact CD2-CG2 4.35Å
1343	T	41.7	Very low	52.8	Low	14 Å²	14	53.6 Å²	53.6	9%	0.086	30%	0.301	C	S	.	.			trans	-75.5	153.9	166.8	-12.8	0	0	0	0	110.8	T1341 P1345 K1363 E1906	T1341-T1343 PolarHBondContact O-N 2.99Å; T1341-T1343 VanDerWaalsContact O-N 3.14Å; T1343-P1345 VanDerWaalsContact C-CD 3.48Å; T1343-P1345 WeakPolarHBondContact O-CD 3.38Å; T1343-K1363 HydrophobicContact CG2-CD 3.59Å; T1343-K1363 HydrophobicContact CG2-CG 3.71Å; T1343-E1906 WeakPolarHBondContact CB-OE2 3.36Å; T1343-E1906 WeakPolarHBondContact CG2-OE1 3.25Å; T1343-E1906 VanDerWaalsContact CG2-OE2 3.22Å; T1343-E1906 WeakPolarHBondContact CG2-OE2 3.48Å; T1343-E1906 PolarHBondContact OG1-OE2 3.17Å
1344	D	37.6	Very low	49.7	Very low	49 Å²	49	57 Å²	57	26%	0.262	32%	0.319	S	S	.	.			trans	-123.3	79.4	177.4	-161.6	34.8	0	0	0	110.4	N827 K1346	N827-D1344 WeakPolarHBondContact CB-OD1 3.34Å; N827-D1344 VanDerWaalsContact ND2-CG 3.27Å; N827-D1344 PolarHBondContact ND2-OD1 2.74Å; N827-D1344 PolarHBondContact ND2-OD2 2.77Å; N827-D1344 PolarHBondContact OD1-OD1 3.15Å; D1344-K1346 PolarHBondContact O-N 3.2Å
1345	P	33.1	Very low	46.7	Very low	34 Å²	34	64.4 Å²	64.4	22%	0.221	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-1.7	-165.7	-29	28.9	0	0	0	119.6	L830 T1343 M1905 E1906	L830-P1345 HydrophobicContact CD1-CB 3.69Å; L830-P1345 HydrophobicContact CD1-CG 3.89Å; L830-P1345 HydrophobicContact CD2-CB 4.17Å; L830-P1345 HydrophobicContact CD2-CG 4.18Å; L830-P1345 HydrophobicContact CG-CG 4.5Å; T1343-P1345 VanDerWaalsContact C-CD 3.48Å; T1343-P1345 WeakPolarHBondContact O-CD 3.38Å; P1345-M1905 HydrophobicContact CG-SD 4.2Å; P1345-E1906 HydrophobicContact CG-CG 3.91Å
1346	K	35.2	Very low	43.5	Very low	78 Å²	78	70.4 Å²	70.4	34%	0.339	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	16	-170.7	-76.6	168.6	-167.5	162.6	0	116	I826 L830 D1344 H1348	I826-K1346 HydrophobicContact CB-CD 3.78Å; I826-K1346 HydrophobicContact CD1-CD 4.16Å; I826-K1346 HydrophobicContact CG1-CD 3.72Å; I826-K1346 HydrophobicContact CG2-CB 3.32Å; I826-K1346 HydrophobicContact CG2-CD 3.34Å; I826-K1346 HydrophobicContact CG2-CG 3.98Å; I826-K1346 PolarHBondContact O-NZ 3.34Å; L830-K1346 HydrophobicContact CD1-CB 4.11Å; L830-K1346 HydrophobicContact CD1-CD 3.46Å; L830-K1346 VanDerWaalsContact CD1-CD 3.46Å; L830-K1346 HydrophobicContact CD1-CG 3.71Å; L830-K1346 HydrophobicContact CG-CD 4.12Å; D1344-K1346 PolarHBondContact O-N 3.2Å; K1346-H1348 PolarHBondContact O-N 2.77Å
1347	L	30	Very low	40.5	Very low	96 Å²	96	77.6 Å²	77.6	50%	0.503	43%	0.434	S	S	.	.			trans	-71.5	1.3	158.8	-92.1	154.9	0	0	0	113.3	T1349 L1361	L1347-T1349 PolarHBondContact O-N 2.74Å; L1347-L1361 HydrophobicContact CB-CD1 3.84Å; L1347-L1361 HydrophobicContact CB-CD2 3.78Å; L1347-L1361 HydrophobicContact CB-CG 4.4Å; L1347-L1361 HydrophobicContact CD1-CD2 4.14Å; L1347-L1361 HydrophobicContact CD2-CD2 4.19Å; L1347-L1361 HydrophobicContact CG-CD2 4.25Å
1348	H	28.5	Very low	37.7	Very low	150 Å²	150	85.2 Å²	85.2	69%	0.694	47%	0.468	S	S	*	.			trans	-83.6	85.1	163.3	-69.4	-87.4	0	0	0	111.5	K1346	K1346-H1348 PolarHBondContact O-N 2.77Å
1349	T	26	Very low	35.3	Very low	131 Å²	131	90.5 Å²	90.5	80%	0.804	50%	0.498	S	S	*	.			trans	175.5	89.2	147.5	24.4	0	0	0	0	114	L1347	L1347-T1349 PolarHBondContact O-N 2.74Å
1350	S	27.2	Very low	33.4	Very low	111 Å²	111	93.6 Å²	93.6	78%	0.776	53%	0.525	S	S	*	.			trans	173.6	119	139.1	46	0	0	0	0	110.7
1351	P	27.1	Very low	31.9	Very low	60 Å²	60	95.1 Å²	95.1	39%	0.39	53%	0.533	S	S	.	.			trans	-111.6	36.5	-169	42.7	-37.2	0	0	0	114	R1514	P1351-R1514 WeakPolarHBondContact CB-O 3.27Å; P1351-R1514 HydrophobicContact CG-CB 3.69Å; P1351-R1514 WeakPolarHBondContact CG-O 3.29Å
1352	E	27.8	Very low	31.3	Very low	104 Å²	104	103.8 Å²	103.8	49%	0.486	57%	0.57	S	S	.	*			trans	-136.8	54.8	-171.1	-68.2	-177.7	-162.5	0	0	113.1	R1514	E1352-R1514 WeakPolarHBondContact OE1-CD 3.29Å; E1352-R1514 IonicContact OE1-CZ 3.65Å; E1352-R1514 IonicContact OE1-NE 3.59Å; E1352-R1514 IonicContact OE1-NH1 3.69Å; E1352-R1514 PolarHBondContact OE1-NH1 3.04Å; E1352-R1514 IonicContact OE2-NH1 3.27Å
1353	S	29.6	Very low	31.3	Very low	112 Å²	112	106.9 Å²	106.9	78%	0.783	58%	0.582	S	S	*	*			trans	-148.7	139.4	161.5	67.3	0	0	0	0	111.2
1354	N	25.7	Very low	32.2	Very low	73 Å²	73	109.9 Å²	109.9	39%	0.39	60%	0.597	S	S	.	*			trans	-103.4	113.8	-177.1	-80.8	-79	0	0	0	111.6	S1517 F1518	N1354-S1517 PolarHBondContact ND2-OG 3.47Å; N1354-S1517 PolarHBondContact OD1-O 3.46Å; N1354-F1518 PolarHBondContact OD1-N 2.99Å; N1354-F1518 PolarHBondContact OD1-O 2.81Å
1355	N	29.3	Very low	33.7	Very low	155 Å²	155	110.4 Å²	110.4	83%	0.829	60%	0.597	S	S	*	*			trans	-160.2	134.2	132.4	-90.7	-30.5	0	0	0	108.7	D1357	N1355-D1357 PolarHBondContact O-N 3.36Å
1356	T	26.3	Very low	35.4	Very low	126 Å²	126	109.8 Å²	109.8	77%	0.773	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	109.4	175.4	45.8	0	0	0	0	109.6
1357	D	27	Very low	37.5	Very low	154 Å²	154	106.1 Å²	106.1	82%	0.824	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	175	-18.7	146.6	-92.7	-15.7	0	0	0	114	N1355	N1355-D1357 PolarHBondContact O-N 3.36Å
1358	H	28	Very low	39.9	Very low	178 Å²	178	104.4 Å²	104.4	82%	0.824	56%	0.562	S	S	*	*			trans	-106.7	1.3	-159.8	-86.4	-65.8	0	0	0	119.7	A1360	H1358-A1360 PolarHBondContact O-N 3.11Å
1359	L	25.6	Very low	42.7	Very low	158 Å²	158	97.6 Å²	97.6	83%	0.827	53%	0.532	S	S	*	.			trans	-95	56.4	179.8	-80.6	93.7	0	0	0	114.7
1360	A	30.5	Very low	45.9	Very low	83 Å²	83	91.4 Å²	91.4	69%	0.686	49%	0.493	S	S	*	.			trans	-96.9	94.7	160.7	0	0	0	0	0	109.4	H1358 K1362	H1358-A1360 PolarHBondContact O-N 3.11Å; A1360-K1362 PolarHBondContact O-N 3.32Å
1361	L	30.1	Very low	49	Very low	83 Å²	83	86.1 Å²	86.1	44%	0.435	46%	0.456	S	S	.	.			trans	-66.3	99.3	179.9	-56.9	-172.6	0	0	0	110.2	L1347 K1363	L1347-L1361 HydrophobicContact CB-CD1 3.84Å; L1347-L1361 HydrophobicContact CB-CD2 3.78Å; L1347-L1361 HydrophobicContact CB-CG 4.4Å; L1347-L1361 HydrophobicContact CD1-CD2 4.14Å; L1347-L1361 HydrophobicContact CD2-CD2 4.19Å; L1347-L1361 HydrophobicContact CG-CD2 4.25Å; L1361-K1363 PolarHBondContact O-N 2.87Å
1362	K	41.4	Very low	52.2	Low	188 Å²	188	83.2 Å²	83.2	82%	0.817	44%	0.438	S	S	*	.			trans	-68.7	88.2	-177.7	-74.2	-173.6	175.5	-178.3	0	111.2	A1360 L1364	A1360-K1362 PolarHBondContact O-N 3.32Å; K1362-L1364 PolarHBondContact O-N 3.35Å; K1362-L1364 VanDerWaalsContact O-N 3.11Å
1363	K	50.6	Low	55.3	Low	108 Å²	108	78.3 Å²	78.3	47%	0.47	42%	0.415	S	S	.	.			trans	-53	114.2	157	-66.7	-164.2	170.1	-141.6	0	107.6	T1341 T1343 L1361 K1365 E1906	T1341-K1363 HydrophobicContact CG2-CB 4.17Å; T1341-K1363 HydrophobicContact CG2-CD 4.39Å; T1343-K1363 HydrophobicContact CG2-CD 3.59Å; T1343-K1363 HydrophobicContact CG2-CG 3.71Å; L1361-K1363 PolarHBondContact O-N 2.87Å; K1363-K1365 PolarHBondContact O-N 2.88Å; K1363-E1906 IonicContact NZ-OE2 3.25Å
1364	L	59.1	Low	58.2	Low	77 Å²	77	73 Å²	73	40%	0.403	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109	-173.3	178.9	65.2	0	0	0	109.3	V1308 L1342 K1362 I1366	V1308-L1364 HydrophobicContact CB-CD1 4.33Å; V1308-L1364 HydrophobicContact CG2-CD1 3.71Å; L1342-L1364 HydrophobicContact CB-CB 4.29Å; L1342-L1364 HydrophobicContact CD1-CD2 4.49Å; L1342-L1364 PolarHBondContact N-O 2.75Å; L1342-L1364 PolarHBondContact O-N 3.13Å; K1362-L1364 PolarHBondContact O-N 3.35Å; K1362-L1364 VanDerWaalsContact O-N 3.11Å; L1364-I1366 HydrophobicContact CD2-CD1 4.42Å; L1364-I1366 HydrophobicContact CG-CG1 4.28Å
1365	K	68.8	Low	61.2	Low	59 Å²	59	70.1 Å²	70.1	26%	0.257	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.2	175	-71.9	-160.9	170.9	-147.1	0	110.8	V1307 V1308 V1339 L1340 T1341 K1363	V1307-K1365 CarbonylContact C-O 3.5Å; V1307-K1365 WeakPolarHBondContact CA-O 3.32Å; V1307-K1365 HydrophobicContact CB-CB 4.31Å; V1307-K1365 HydrophobicContact CG1-CB 3.74Å; V1308-K1365 PolarHBondContact N-O 3.18Å; V1339-K1365 HydrophobicContact CG1-CB 4.12Å; V1339-K1365 HydrophobicContact CG1-CD 4.07Å; V1339-K1365 HydrophobicContact CG1-CG 4.39Å; L1340-K1365 CarbonylContact O-C 3.48Å; L1340-K1365 WeakPolarHBondContact O-CA 3.26Å; T1341-K1365 HydrophobicContact CG2-CG 4.16Å; T1341-K1365 VanDerWaalsContact OG1-CE 3.27Å; T1341-K1365 WeakPolarHBondContact OG1-CE 3.49Å; K1363-K1365 PolarHBondContact O-N 2.88Å
1366	I	68.8	Low	64.1	Low	22 Å²	22	62.9 Å²	62.9	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130	179.9	-60.9	-180	0	0	0	108.6	V1308 D1310 V1339 L1340 L1342 L1364 R1368	V1308-I1366 CarbonylContact O-C 3.57Å; V1308-I1366 VanDerWaalsContact O-CA 3.28Å; V1308-I1366 WeakPolarHBondContact O-CA 3.5Å; D1310-I1366 HydrophobicContact CB-CG2 4.06Å; V1339-I1366 CarbonylContact C-O 3.46Å; V1339-I1366 WeakPolarHBondContact CA-O 3.44Å; L1340-I1366 PolarHBondContact N-O 3.4Å; L1340-I1366 PolarHBondContact O-N 2.86Å; L1342-I1366 HydrophobicContact CD1-CD1 3.63Å; L1342-I1366 HydrophobicContact CG-CD1 4.25Å; L1364-I1366 HydrophobicContact CD2-CD1 4.42Å; L1364-I1366 HydrophobicContact CG-CG1 4.28Å; I1366-R1368 HydrophobicContact CG2-CG 4.48Å
1367	I	80.8	Confident	67.3	Low	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.2	174.9	57.9	170.1	0	0	0	111.3	A1288 L1297 I1299 V1307 V1308 L1309 D1310 F1336 E1338 V1339 V1370	A1288-I1367 HydrophobicContact CB-CD1 4.05Å; L1297-I1367 HydrophobicContact CD1-CD1 4.31Å; I1299-I1367 HydrophobicContact CD1-CG2 4.29Å; I1299-I1367 HydrophobicContact CG1-CG2 4.48Å; V1307-I1367 HydrophobicContact CB-CG2 4.31Å; V1307-I1367 HydrophobicContact CG2-CD1 4.14Å; V1307-I1367 HydrophobicContact CG2-CG1 4.3Å; V1307-I1367 HydrophobicContact CG2-CG2 4.06Å; V1308-I1367 PolarHBondContact O-N 3.04Å; L1309-I1367 HydrophobicContact CD2-CD1 4.02Å; L1309-I1367 HydrophobicContact CD2-CG1 4.08Å; D1310-I1367 PolarHBondContact N-O 3.02Å; F1336-I1367 HydrophobicContact CB-CB 4.11Å; F1336-I1367 HydrophobicContact CB-CD1 4.43Å; F1336-I1367 HydrophobicContact CD1-CB 4.23Å; F1336-I1367 HydrophobicContact CD1-CD1 4.05Å; F1336-I1367 HydrophobicContact CD1-CG2 4.01Å; F1336-I1367 HydrophobicContact CD2-CB 4.4Å; F1336-I1367 HydrophobicContact CD2-CG2 4.23Å; F1336-I1367 HydrophobicContact CE1-CG2 4.13Å; F1336-I1367 HydrophobicContact CE2-CG2 4.39Å; F1336-I1367 HydrophobicContact CG-CB 4Å; F1336-I1367 HydrophobicContact CG-CD1 4.47Å; F1336-I1367 HydrophobicContact CG-CG2 4.07Å; F1336-I1367 HydrophobicContact CZ-CG2 4.34Å; E1338-I1367 WeakPolarHBondContact O-CA 3.48Å; V1339-I1367 HydrophobicContact CG1-CG2 4.31Å; V1339-I1367 HydrophobicContact CG2-CG2 4.23Å; I1367-V1370 HydrophobicContact CD1-CG2 4.25Å; I1367-V1370 HydrophobicContact CG1-CG2 4.16Å
1368	R	80.4	Confident	70.3	Confident	61 Å²	61	49.6 Å²	49.6	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.8	-172.8	-49	-171.3	57.9	-129.4	4	112.9	D1310 N1337 E1338 L1340 I1366	D1310-R1368 HydrophobicContact CB-CB 4.46Å; D1310-R1368 HydrophobicContact CB-CG 4.07Å; D1310-R1368 WeakPolarHBondContact OD2-CD 3.34Å; D1310-R1368 WeakPolarHBondContact OD2-CG 3.48Å; D1310-R1368 IonicContact OD2-CZ 3.46Å; D1310-R1368 IonicContact OD2-NE 3.16Å; D1310-R1368 PolarHBondContact OD2-NE 2.77Å; D1310-R1368 IonicContact OD2-NH2 3.46Å; N1337-R1368 PolarHBondContact N-O 3.25Å; E1338-R1368 HydrophobicContact CG-CB 3.79Å; E1338-R1368 HydrophobicContact CG-CG 4.17Å; E1338-R1368 PolarHBondContact O-N 3.17Å; E1338-R1368 VanDerWaalsContact O-N 3.11Å; E1338-R1368 VanDerWaalsContact OE1-CD 3.3Å; E1338-R1368 WeakPolarHBondContact OE1-CD 3.42Å; E1338-R1368 IonicContact OE1-CZ 3.44Å; E1338-R1368 IonicContact OE1-NE 2.71Å; E1338-R1368 IonicContact OE1-NH1 3.36Å; E1338-R1368 PolarHBondContact OE1-NH1 2.72Å; L1340-R1368 VanDerWaalsContact CD1-CD 3.46Å; L1340-R1368 HydrophobicContact CG-CG 4.34Å; I1366-R1368 HydrophobicContact CG2-CG 4.48Å
1369	C	87.1	Confident	73.1	Confident	7 Å²	7	41.1 Å²	41.1	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	43.6	83.4	-173.6	-177.2	0	0	0	0	112.5	D1200 H1201 N1337	D1200-C1369 HydrophobicContact CB-CB 4.47Å; H1201-C1369 PolarHBondContact CE1-O 2.96Å; H1201-C1369 VanDerWaalsContact CE1-SG 3.55Å; N1337-C1369 HydrophobicContact CB-CB 3.98Å; N1337-C1369 PolarHBondContact N-O 2.96Å
1370	V	92	Very high	76.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149	-165.4	-171.5	0	0	0	0	111.3	S1199 D1200 L1309 I1315 L1334 V1335 F1336 I1367	S1199-V1370 CarbonylContact C-O 3.53Å; S1199-V1370 WeakPolarHBondContact CA-O 3.27Å; D1200-V1370 PolarHBondContact N-O 3.09Å; D1200-V1370 PolarHBondContact OD2-N 3.48Å; L1309-V1370 HydrophobicContact CD2-CB 4.4Å; L1309-V1370 HydrophobicContact CD2-CG1 4.19Å; L1309-V1370 HydrophobicContact CD2-CG2 4.02Å; I1315-V1370 HydrophobicContact CD1-CB 3.93Å; I1315-V1370 HydrophobicContact CD1-CG1 3.8Å; L1334-V1370 HydrophobicContact CB-CG1 3.83Å; L1334-V1370 HydrophobicContact CD2-CG1 3.64Å; L1334-V1370 HydrophobicContact CG-CG1 4.37Å; V1335-V1370 CarbonylContact O-C 3.46Å; V1335-V1370 WeakPolarHBondContact O-CA 3.26Å; F1336-V1370 HydrophobicContact CB-CG2 4.05Å; I1367-V1370 HydrophobicContact CD1-CG2 4.25Å; I1367-V1370 HydrophobicContact CG1-CG2 4.16Å
1371	S	93.8	Very high	79	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.7	170.5	-68.8	0	0	0	0	111	S1199 H1201 L1334 V1335	S1199-S1371 WeakPolarHBondContact CB-OG 3.42Å; S1199-S1371 PolarHBondContact OG-OG 3.4Å; H1201-S1371 PolarHBondContact ND1-OG 3.41Å; L1334-S1371 WeakPolarHBondContact CA-O 3.45Å; V1335-S1371 PolarHBondContact N-O 3.48Å; V1335-S1371 PolarHBondContact O-N 3.35Å
1372	I	92.9	Very high	81.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134	167.7	-60.1	-171.5	0	0	0	109.9	Y1198 K1276 I1315 L1329 P1330 C1331 L1334 L1649	Y1198-I1372 VanDerWaalsContact CB-CD1 3.45Å; Y1198-I1372 HydrophobicContact CD1-CD1 3.88Å; Y1198-I1372 HydrophobicContact CG-CD1 3.76Å; Y1198-I1372 PolarHBondContact O-N 3.19Å; K1276-I1372 WeakPolarHBondContact CE-O 3.43Å; K1276-I1372 PolarHBondContact NZ-O 3.43Å; I1315-I1372 HydrophobicContact CD1-CG1 3.98Å; I1315-I1372 HydrophobicContact CG2-CD1 4.5Å; L1329-I1372 HydrophobicContact CD2-CD1 3.49Å; L1329-I1372 VanDerWaalsContact CD2-CD1 3.49Å; L1329-I1372 HydrophobicContact CD2-CG1 4.45Å; P1330-I1372 HydrophobicContact CG-CD1 3.98Å; P1330-I1372 HydrophobicContact CG-CG2 4.41Å; C1331-I1372 WeakPolarHBondContact SG-CG2 2.92Å; L1334-I1372 HydrophobicContact CD2-CG1 4.11Å; L1334-I1372 HydrophobicContact CG-CG1 4.36Å; I1372-L1649 HydrophobicContact CG2-CD2 4.15Å
1373	V	92.7	Very high	82.9	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.4	-176.7	-64.4	0	0	0	0	111.2	K1276 V1280 C1331 W1333 V1335 V1378	K1276-V1373 HydrophobicContact CB-CG1 4.39Å; K1276-V1373 HydrophobicContact CD-CG1 4.31Å; V1280-V1373 HydrophobicContact CG2-CB 4.15Å; V1280-V1373 HydrophobicContact CG2-CG1 3.72Å; V1280-V1373 HydrophobicContact CG2-CG2 4.21Å; C1331-V1373 PolarHBondContact SG-O 3.28Å; W1333-V1373 HydrophobicContact CB-CG2 3.94Å; W1333-V1373 PolarHBondContact O-N 3.06Å; V1335-V1373 HydrophobicContact CB-CG1 4.49Å; V1335-V1373 HydrophobicContact CG1-CG1 3.72Å; V1373-V1378 HydrophobicContact CG2-CG2 3.85Å
1374	S	91.2	Very high	84	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.			trans	-71.3	151.5	178.8	79.3	0	0	0	0	112.3	I1376 T1377 V1378 L1647	S1374-I1376 PolarHBondContact O-N 2.9Å; S1374-I1376 WeakPolarHBondContact OG-CG2 3.44Å; S1374-T1377 WeakPolarHBondContact O-CB 3.46Å; S1374-T1377 PolarHBondContact O-N 3.29Å; S1374-T1377 PolarHBondContact OG-N 2.91Å; S1374-T1377 VanDerWaalsContact OG-N 3.11Å; S1374-T1377 PolarHBondContact OG-OG1 2.71Å; S1374-V1378 PolarHBondContact O-N 3.06Å; S1374-L1647 VanDerWaalsContact CB-CD1 3.49Å
1375	P	89.4	Confident	84.7	Confident	13 Å²	13	9.8 Å²	9.8	8%	0.084	5%	0.049	C	C	.	.	H	α-helix	trans	-56.1	-35.7	173.3	-23.8	32.8	0	0	0	113	F139 T1377 V1378 A1379 F1593	F139-P1375 HydrophobicContact CB-CB 4.08Å; F139-P1375 HydrophobicContact CD1-CB 4.42Å; P1375-T1377 VanDerWaalsContact C-N 3.35Å; P1375-T1377 PolarHBondContact O-N 3.01Å; P1375-V1378 PolarHBondContact O-N 3.22Å; P1375-A1379 WeakPolarHBondContact O-CB 3.44Å; P1375-A1379 PolarHBondContact O-N 3.15Å; P1375-F1593 HydrophobicContact CB-CE1 4.17Å
1376	I	90.6	Very high	84.5	Confident	4 Å²	4	9.3 Å²	9.3	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-69.6	-31.8	178.4	-165.3	59	0	0	0	112.2	F139 L141 S1374 A1379 L1380 V1603 V1639 E1643	F139-I1376 HydrophobicContact CE2-CD1 4.2Å; F139-I1376 HydrophobicContact CZ-CD1 4.42Å; L141-I1376 HydrophobicContact CD2-CD1 3.79Å; L141-I1376 HydrophobicContact CD2-CG1 4.11Å; S1374-I1376 PolarHBondContact O-N 2.9Å; S1374-I1376 WeakPolarHBondContact OG-CG2 3.44Å; I1376-A1379 HydrophobicContact CD1-CB 4.4Å; I1376-A1379 PolarHBondContact O-N 2.92Å; I1376-L1380 HydrophobicContact CD1-CD1 4.1Å; I1376-L1380 HydrophobicContact CD1-CG 4.06Å; I1376-L1380 HydrophobicContact CG1-CD1 3.77Å; I1376-L1380 HydrophobicContact CG1-CG 4.16Å; I1376-L1380 WeakPolarHBondContact O-CB 3.29Å; I1376-L1380 WeakPolarHBondContact O-CG 3.22Å; I1376-L1380 PolarHBondContact O-N 3.04Å; I1376-V1603 HydrophobicContact CD1-CG1 4.18Å; I1376-V1603 HydrophobicContact CD1-CG2 3.61Å; I1376-V1639 HydrophobicContact CG1-CG1 4.01Å; I1376-E1643 HydrophobicContact CB-CB 4.46Å; I1376-E1643 HydrophobicContact CB-CG 4.24Å; I1376-E1643 HydrophobicContact CG1-CG 4.4Å; I1376-E1643 HydrophobicContact CG2-CB 3.41Å; I1376-E1643 VanDerWaalsContact CG2-CB 3.41Å; I1376-E1643 HydrophobicContact CG2-CG 3.57Å
1377	T	92.7	Very high	84	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.5	-43.9	175.1	-52.8	0	0	0	0	110	A1277 V1280 S1374 P1375 A1379 M1381 L1640	A1277-T1377 HydrophobicContact CB-CG2 4.03Å; V1280-T1377 HydrophobicContact CB-CG2 4.34Å; V1280-T1377 HydrophobicContact CG2-CG2 4.04Å; S1374-T1377 WeakPolarHBondContact O-CB 3.46Å; S1374-T1377 PolarHBondContact O-N 3.29Å; S1374-T1377 PolarHBondContact OG-N 2.91Å; S1374-T1377 VanDerWaalsContact OG-N 3.11Å; S1374-T1377 PolarHBondContact OG-OG1 2.71Å; P1375-T1377 VanDerWaalsContact C-N 3.35Å; P1375-T1377 PolarHBondContact O-N 3.01Å; T1377-A1379 VanDerWaalsContact C-N 3.34Å; T1377-M1381 HydrophobicContact CG2-CG 4.4Å; T1377-M1381 VanDerWaalsContact O-CB 3.25Å; T1377-M1381 WeakPolarHBondContact O-CB 3.49Å; T1377-M1381 WeakPolarHBondContact O-CG 3.38Å; T1377-M1381 PolarHBondContact O-N 3.18Å; T1377-L1640 HydrophobicContact CG2-CD2 4.14Å
1378	V	89.2	Confident	82.5	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-42.8	172.6	-178.3	0	0	0	0	110.6	L1287 W1333 V1373 S1374 P1375 L1380 G1382 L1591 F1593	L1287-V1378 HydrophobicContact CD1-CG1 3.91Å; W1333-V1378 HydrophobicContact CB-CG2 4.09Å; W1333-V1378 HydrophobicContact CD2-CG1 4.46Å; W1333-V1378 HydrophobicContact CD2-CG2 4.08Å; W1333-V1378 HydrophobicContact CE3-CG1 4.15Å; W1333-V1378 HydrophobicContact CE3-CG2 4.09Å; W1333-V1378 HydrophobicContact CG-CG2 4.09Å; W1333-V1378 HydrophobicContact CZ3-CG1 4.21Å; V1373-V1378 HydrophobicContact CG2-CG2 3.85Å; S1374-V1378 PolarHBondContact O-N 3.06Å; P1375-V1378 PolarHBondContact O-N 3.22Å; V1378-L1380 PolarHBondContact O-N 3.34Å; V1378-G1382 WeakPolarHBondContact O-CA 3.35Å; V1378-G1382 PolarHBondContact O-N 3.46Å; V1378-L1591 HydrophobicContact CG1-CD1 4.06Å; V1378-L1591 HydrophobicContact CG1-CD2 4.13Å; V1378-F1593 HydrophobicContact CB-CZ 4.35Å; V1378-F1593 HydrophobicContact CG1-CZ 4.06Å
1379	A	87	Confident	80.7	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.8	-32.6	-177.5	0	0	0	0	0	114.7	F139 P1375 I1376 T1377 L1585 F1593 V1603	F139-A1379 HydrophobicContact CE1-CB 4.23Å; P1375-A1379 WeakPolarHBondContact O-CB 3.44Å; P1375-A1379 PolarHBondContact O-N 3.15Å; I1376-A1379 HydrophobicContact CD1-CB 4.4Å; I1376-A1379 PolarHBondContact O-N 2.92Å; T1377-A1379 VanDerWaalsContact C-N 3.34Å; A1379-L1585 HydrophobicContact CB-CD1 4.13Å; A1379-F1593 HydrophobicContact CB-CE2 4.33Å; A1379-F1593 HydrophobicContact CB-CZ 4.44Å; A1379-V1603 HydrophobicContact CB-CG1 4.29Å
1380	L	89.5	Confident	78.6	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-90.4	-23.1	180	-67.8	173.5	0	0	0	114.1	I1376 V1378 V1603 L1606 R1607 L1636 V1639	I1376-L1380 HydrophobicContact CD1-CD1 4.1Å; I1376-L1380 HydrophobicContact CD1-CG 4.06Å; I1376-L1380 HydrophobicContact CG1-CD1 3.77Å; I1376-L1380 HydrophobicContact CG1-CG 4.16Å; I1376-L1380 WeakPolarHBondContact O-CB 3.29Å; I1376-L1380 WeakPolarHBondContact O-CG 3.22Å; I1376-L1380 PolarHBondContact O-N 3.04Å; V1378-L1380 PolarHBondContact O-N 3.34Å; L1380-V1603 HydrophobicContact CD2-CG1 3.91Å; L1380-L1606 HydrophobicContact CD1-CD2 3.93Å; L1380-L1606 HydrophobicContact CD2-CB 4.4Å; L1380-L1606 HydrophobicContact CD2-CD2 3.89Å; L1380-L1606 HydrophobicContact CD2-CG 4.17Å; L1380-R1607 HydrophobicContact CD2-CB 4.35Å; L1380-L1636 HydrophobicContact CD1-CD1 3.83Å; L1380-V1639 HydrophobicContact CD1-CG1 4.13Å
1381	M	90.3	Very high	76.5	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-111.1	-19.2	-175.7	-59.7	-66	135.2	0	0	114.3	F1151 A1277 V1280 A1281 T1377 L1636 L1640	F1151-M1381 HydrophobicContact CD1-SD 4.46Å; A1277-M1381 HydrophobicContact CB-CE 4.26Å; A1277-M1381 HydrophobicContact CB-CG 3.86Å; A1277-M1381 HydrophobicContact CB-SD 4.06Å; A1277-M1381 WeakPolarHBondContact O-CG 3.39Å; V1280-M1381 HydrophobicContact CB-CB 4.26Å; V1280-M1381 HydrophobicContact CG1-CB 3.91Å; A1281-M1381 HydrophobicContact CB-CB 4.25Å; T1377-M1381 HydrophobicContact CG2-CG 4.4Å; T1377-M1381 VanDerWaalsContact O-CB 3.25Å; T1377-M1381 WeakPolarHBondContact O-CB 3.49Å; T1377-M1381 WeakPolarHBondContact O-CG 3.38Å; T1377-M1381 PolarHBondContact O-N 3.18Å; M1381-L1636 HydrophobicContact CE-CD1 3.85Å; M1381-L1636 HydrophobicContact CE-CD2 4.02Å; M1381-L1636 HydrophobicContact CE-CG 4.41Å; M1381-L1640 HydrophobicContact CE-CD1 4.47Å
1382	G	79.1	Confident	74.1	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-79.4	155.5	179.3	0	0	0	0	0	113.6	V1378 R1607	V1378-G1382 WeakPolarHBondContact O-CA 3.35Å; V1378-G1382 PolarHBondContact O-N 3.46Å; G1382-R1607 PolarHBondContact O-NE 3.38Å; G1382-R1607 PolarHBondContact O-NH2 2.96Å
1383	G	75	Confident	71.7	Confident	3 Å²	3	25.8 Å²	25.8	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	91	179.9	178.3	0	0	0	0	0	114.5	Y1284	Y1284-G1383 VanDerWaalsContact CZ-CA 3.49Å; Y1284-G1383 VanDerWaalsContact CZ-N 3.26Å
1384	S	73.3	Confident	69.4	Low	34 Å²	34	29.1 Å²	29.1	24%	0.238	15%	0.148	C	C	.	.			trans	-65.4	152	170.4	177.2	0	0	0	0	111	D1121 R1386 R1607	D1121-S1384 WeakPolarHBondContact CB-OG 3.23Å; D1121-S1384 PolarHBondContact OD1-OG 2.97Å; S1384-R1386 VanDerWaalsContact C-N 3.34Å; S1384-R1386 PolarHBondContact OG-N 2.71Å; S1384-R1607 PolarHBondContact O-NH2 2.85Å
1385	I	73.3	Confident	67.2	Low	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-67	-41.4	174.7	-56.4	173.5	0	0	0	109.5	D1121 L1132 F1151 H1611 L1614 L1615	D1121-I1385 WeakPolarHBondContact OD2-CB 3.24Å; L1132-I1385 HydrophobicContact CB-CD1 4.48Å; L1132-I1385 HydrophobicContact CD2-CD1 3.89Å; F1151-I1385 HydrophobicContact CE2-CD1 4.25Å; F1151-I1385 HydrophobicContact CZ-CD1 4.23Å; F1151-I1385 HydrophobicContact CZ-CG1 4.31Å; I1385-H1611 WeakPolarHBondContact CA-ND1 3.43Å; I1385-H1611 HydrophobicContact CG2-CB 3.77Å; I1385-H1611 PolarHBondContact O-ND1 3.16Å; I1385-L1614 HydrophobicContact CD1-CD2 3.67Å; I1385-L1614 HydrophobicContact CD1-CG 4.44Å; I1385-L1614 HydrophobicContact CG1-CD2 4.11Å; I1385-L1614 HydrophobicContact CG2-CD2 4.27Å; I1385-L1615 HydrophobicContact CG2-CD1 4.07Å; I1385-L1615 HydrophobicContact CG2-CD2 3.99Å; I1385-L1615 HydrophobicContact CG2-CG 3.79Å
1386	R	65.2	Low	64.8	Low	48 Å²	48	34.7 Å²	34.7	18%	0.181	18%	0.175	C	C	.	.	S	Bend	trans	-72.9	148.9	178.7	-55.4	-162.9	-147.3	-165.8	21.5	111.6	L166 D1121 D1124 S1384	L166-R1386 VanDerWaalsContact O-CA 3.29Å; L166-R1386 WeakPolarHBondContact O-CA 3.5Å; L166-R1386 VanDerWaalsContact O-CB 3.29Å; L166-R1386 WeakPolarHBondContact O-CB 3.33Å; D1121-R1386 IonicContact OD1-NE 2.72Å; D1121-R1386 PolarHBondContact OD1-NE 3.47Å; D1124-R1386 IonicContact OD2-NH2 2.69Å; S1384-R1386 VanDerWaalsContact C-N 3.34Å; S1384-R1386 PolarHBondContact OG-N 2.71Å
1387	V	58.5	Low	62.5	Low	8 Å²	8	38.2 Å²	38.2	5%	0.048	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-88.5	122.8	-178.4	174.7	0	0	0	0	109.6	L166 Y167 I1391 Q1608	L166-V1387 HydrophobicContact CB-CB 4.42Å; L166-V1387 HydrophobicContact CB-CG2 4.01Å; L166-V1387 HydrophobicContact CD1-CG2 4.07Å; L166-V1387 PolarHBondContact O-N 3.35Å; Y167-V1387 WeakPolarHBondContact CD1-O 3.29Å; Y167-V1387 HydrophobicContact CE1-CB 4.2Å; Y167-V1387 HydrophobicContact CE1-CG1 4.09Å; Y167-V1387 WeakPolarHBondContact CE1-O 3.48Å; V1387-I1391 HydrophobicContact CG1-CB 4.36Å; V1387-Q1608 HydrophobicContact CG2-CG 4.29Å
1388	C	49.8	Very low	60.2	Low	39 Å²	39	39.4 Å²	39.4	26%	0.264	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-71.4	128.9	169.3	-169.6	0	0	0	0	109.2	Q1390 I1391	C1388-Q1390 PolarHBondContact O-N 2.8Å; C1388-I1391 PolarHBondContact O-N 3.23Å
1389	P	41.8	Very low	57.8	Low	70 Å²	70	42 Å²	42	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-9.1	-177.3	-27.4	35.2	0	0	0	116.1	Y167	Y167-P1389 HydrophobicContact CD1-CG 4.19Å; Y167-P1389 HydrophobicContact CE1-CB 4.37Å; Y167-P1389 HydrophobicContact CE1-CG 3.93Å
1390	Q	42.8	Very low	55.3	Low	101 Å²	101	48.8 Å²	48.8	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-67.2	-34.4	172.6	-65.2	168	-10.1	0	0	111.9	C1388 E1392 K1393 E1394	C1388-Q1390 PolarHBondContact O-N 2.8Å; Q1390-E1392 VanDerWaalsContact C-N 3.35Å; Q1390-E1392 PolarHBondContact O-N 2.94Å; Q1390-K1393 WeakPolarHBondContact O-CB 3.38Å; Q1390-K1393 PolarHBondContact O-N 2.98Å; Q1390-K1393 VanDerWaalsContact O-N 3.1Å; Q1390-E1394 PolarHBondContact O-N 3.41Å
1391	I	48.3	Very low	53	Low	24 Å²	24	53.7 Å²	53.7	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-34.8	-178	-59.4	175	0	0	0	111.5	V1387 C1388 T1395 T1604	V1387-I1391 HydrophobicContact CG1-CB 4.36Å; C1388-I1391 PolarHBondContact O-N 3.23Å; I1391-T1395 WeakPolarHBondContact O-CG2 3.5Å; I1391-T1395 PolarHBondContact O-N 3.3Å; I1391-T1395 PolarHBondContact O-OG1 2.81Å; I1391-T1604 HydrophobicContact CG2-CG2 4.3Å
1392	E	44.4	Very low	50.3	Low	32 Å²	32	56.6 Å²	56.6	15%	0.15	31%	0.309	C	S	.	.	H	α-helix	trans	-71.9	-32.7	171.9	-79.2	-161.2	143.5	0	0	112.6	K163 Y167 Q1390 E1394 T1395 H1396	K163-E1392 WeakPolarHBondContact CD-OE1 3.28Å; K163-E1392 WeakPolarHBondContact CE-OE1 3.3Å; K163-E1392 IonicContact NZ-OE1 3.35Å; K163-E1392 PolarHBondContact NZ-OE1 3.28Å; Y167-E1392 WeakPolarHBondContact OH-CG 3.2Å; Y167-E1392 PolarHBondContact OH-OE2 3.16Å; Q1390-E1392 VanDerWaalsContact C-N 3.35Å; Q1390-E1392 PolarHBondContact O-N 2.94Å; E1392-E1394 VanDerWaalsContact C-N 3.34Å; E1392-E1394 PolarHBondContact O-N 2.97Å; E1392-T1395 WeakPolarHBondContact CA-OG1 3.49Å; E1392-T1395 PolarHBondContact O-N 3.34Å; E1392-T1395 PolarHBondContact O-OG1 3.05Å; E1392-H1396 VanDerWaalsContact O-CB 3.22Å; E1392-H1396 WeakPolarHBondContact O-CB 3.06Å; E1392-H1396 PolarHBondContact O-CD2 3.5Å; E1392-H1396 VanDerWaalsContact O-CG 3.31Å; E1392-H1396 PolarHBondContact O-N 3.22Å
1393	K	41.8	Very low	47.9	Very low	163 Å²	163	62.1 Å²	62.1	71%	0.709	34%	0.344	S	S	*	.	H	α-helix	trans	-65.1	-39	173.9	-69	-177.1	178.5	-177.9	0	112	Q1390 S1397	Q1390-K1393 WeakPolarHBondContact O-CB 3.38Å; Q1390-K1393 PolarHBondContact O-N 2.98Å; Q1390-K1393 VanDerWaalsContact O-N 3.1Å; K1393-S1397 WeakPolarHBondContact O-CB 3.46Å; K1393-S1397 PolarHBondContact O-N 3.08Å; K1393-S1397 VanDerWaalsContact O-N 3.16Å
1394	E	44.4	Very low	45.7	Very low	70 Å²	70	68.7 Å²	68.7	33%	0.327	38%	0.379	S	S	.	.	H	α-helix	trans	-71	-45.4	176	-67.9	-177.7	-179.8	0	0	111.4	Q1390 E1392 S1397 I1398 H1584	Q1390-E1394 PolarHBondContact O-N 3.41Å; E1392-E1394 VanDerWaalsContact C-N 3.34Å; E1392-E1394 PolarHBondContact O-N 2.97Å; E1394-S1397 VanDerWaalsContact O-CB 3.29Å; E1394-S1397 WeakPolarHBondContact O-CB 3.27Å; E1394-S1397 PolarHBondContact O-N 2.97Å; E1394-S1397 VanDerWaalsContact O-N 3.16Å; E1394-I1398 WeakPolarHBondContact O-CG1 3.49Å; E1394-I1398 PolarHBondContact O-N 3.11Å; E1394-H1584 IonicContact OE2-CD2 3.73Å
1395	T	44.6	Very low	43.6	Very low	26 Å²	26	74.5 Å²	74.5	16%	0.16	41%	0.406	C	S	.	.	H	α-helix	trans	-70.2	-33.3	178.3	51.2	0	0	0	0	114.1	I1391 E1392 S1397 I1398 A1399 T1604	I1391-T1395 WeakPolarHBondContact O-CG2 3.5Å; I1391-T1395 PolarHBondContact O-N 3.3Å; I1391-T1395 PolarHBondContact O-OG1 2.81Å; E1392-T1395 WeakPolarHBondContact CA-OG1 3.49Å; E1392-T1395 PolarHBondContact O-N 3.34Å; E1392-T1395 PolarHBondContact O-OG1 3.05Å; T1395-S1397 VanDerWaalsContact C-N 3.31Å; T1395-S1397 PolarHBondContact O-N 3.23Å; T1395-I1398 PolarHBondContact O-N 3.43Å; T1395-A1399 WeakPolarHBondContact O-CB 3.27Å; T1395-A1399 PolarHBondContact O-N 3.41Å; T1395-T1604 HydrophobicContact CG2-CG2 4.45Å
1396	H	39.6	Very low	41.6	Very low	104 Å²	104	82 Å²	82	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-66.9	-31.1	169.1	-75.1	-55.7	0	0	0	112.6	E1392 N1400	E1392-H1396 VanDerWaalsContact O-CB 3.22Å; E1392-H1396 WeakPolarHBondContact O-CB 3.06Å; E1392-H1396 PolarHBondContact O-CD2 3.5Å; E1392-H1396 VanDerWaalsContact O-CG 3.31Å; E1392-H1396 PolarHBondContact O-N 3.22Å; H1396-N1400 PolarHBondContact O-N 2.85Å; H1396-N1400 PolarHBondContact O-ND2 3.22Å
1397	S	42.6	Very low	39.9	Very low	78 Å²	78	85.3 Å²	85.3	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-46.5	171	-163.8	0	0	0	0	110.8	K1393 E1394 T1395 A1399 N1400 V1401	K1393-S1397 WeakPolarHBondContact O-CB 3.46Å; K1393-S1397 PolarHBondContact O-N 3.08Å; K1393-S1397 VanDerWaalsContact O-N 3.16Å; E1394-S1397 VanDerWaalsContact O-CB 3.29Å; E1394-S1397 WeakPolarHBondContact O-CB 3.27Å; E1394-S1397 PolarHBondContact O-N 2.97Å; E1394-S1397 VanDerWaalsContact O-N 3.16Å; T1395-S1397 VanDerWaalsContact C-N 3.31Å; T1395-S1397 PolarHBondContact O-N 3.23Å; S1397-A1399 PolarHBondContact O-N 3.32Å; S1397-N1400 PolarHBondContact O-N 2.78Å; S1397-V1401 WeakPolarHBondContact O-CG2 3.11Å
1398	I	43.9	Very low	38.6	Very low	24 Å²	24	93.8 Å²	93.8	12%	0.123	50%	0.503	C	S	.	.	H	α-helix	trans	-60.4	-45.6	176.9	-62	166.2	0	0	0	111.6	E1394 T1395 N1400 V1401 V1581 I1601	E1394-I1398 WeakPolarHBondContact O-CG1 3.49Å; E1394-I1398 PolarHBondContact O-N 3.11Å; T1395-I1398 PolarHBondContact O-N 3.43Å; I1398-N1400 PolarHBondContact O-N 3.44Å; I1398-V1401 PolarHBondContact O-N 2.95Å; I1398-V1581 HydrophobicContact CD1-CB 4.37Å; I1398-V1581 HydrophobicContact CD1-CG1 3.73Å; I1398-V1581 HydrophobicContact CD1-CG2 4.43Å; I1398-V1581 HydrophobicContact CG1-CG1 3.96Å; I1398-V1581 HydrophobicContact CG1-CG2 4.34Å; I1398-I1601 HydrophobicContact CG2-CD1 4.28Å
1399	A	38.6	Very low	37.7	Very low	56 Å²	56	95.5 Å²	95.5	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-28.8	-178.7	0	0	0	0	0	113.5	T1395 S1397 V1401	T1395-A1399 WeakPolarHBondContact O-CB 3.27Å; T1395-A1399 PolarHBondContact O-N 3.41Å; S1397-A1399 PolarHBondContact O-N 3.32Å; A1399-V1401 VanDerWaalsContact C-N 3.28Å; A1399-V1401 PolarHBondContact O-N 3.32Å
1400	N	35.7	Very low	37.3	Very low	142 Å²	142	95 Å²	95	76%	0.759	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.9	177.1	-74.7	-48.7	0	0	0	114	H1396 S1397 I1398	H1396-N1400 PolarHBondContact O-N 2.85Å; H1396-N1400 PolarHBondContact O-ND2 3.22Å; S1397-N1400 PolarHBondContact O-N 2.78Å; I1398-N1400 PolarHBondContact O-N 3.44Å
1401	V	39.8	Very low	36.7	Very low	102 Å²	102	94.7 Å²	94.7	62%	0.618	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.4	-177	177	0	0	0	0	112.8	S1397 I1398 A1399 P1403	S1397-V1401 WeakPolarHBondContact O-CG2 3.11Å; I1398-V1401 PolarHBondContact O-N 2.95Å; A1399-V1401 VanDerWaalsContact C-N 3.28Å; A1399-V1401 PolarHBondContact O-N 3.32Å; V1401-P1403 WeakPolarHBondContact O-CD 3.37Å
1402	I	34.1	Very low	35.9	Very low	64 Å²	64	100.9 Å²	100.9	33%	0.328	54%	0.541	S	S	.	.			trans	-108.4	90	-178.5	-53.5	177.6	0	0	0	111.1	D1404 N1598	I1402-D1404 PolarHBondContact O-N 2.94Å; I1402-D1404 VanDerWaalsContact O-N 3.12Å; I1402-N1598 WeakPolarHBondContact CD1-OD1 3.4Å
1403	P	27.7	Very low	35.4	Very low	115 Å²	115	104.3 Å²	104.3	75%	0.747	56%	0.557	S	S	*	*			trans	-84.4	73.7	174.3	35.6	-36.4	0	0	0	111.5	V1401	V1401-P1403 WeakPolarHBondContact O-CD 3.37Å
1404	D	28.8	Very low	35	Very low	142 Å²	142	100 Å²	100	76%	0.759	54%	0.542	S	S	*	.			trans	177.9	109.6	150.8	-95.4	-25.3	0	0	0	110.9	I1402	I1402-D1404 PolarHBondContact O-N 2.94Å; I1402-D1404 VanDerWaalsContact O-N 3.12Å
1405	L	30.9	Very low	34.4	Very low	155 Å²	155	102.2 Å²	102.2	81%	0.812	56%	0.555	S	S	*	*	S	Bend	trans	160	85.4	156.1	-91.8	160.3	0	0	0	111.6	L1407	L1405-L1407 VanDerWaalsContact C-N 3.29Å; L1405-L1407 PolarHBondContact O-N 3.25Å
1406	N	29.6	Very low	33.8	Very low	159 Å²	159	109.2 Å²	109.2	85%	0.85	58%	0.578	S	S	*	*	S	Bend	trans	36.1	0.6	155.5	-80.4	-15.3	0	0	0	124.6	K1408	N1406-K1408 PolarHBondContact O-N 3.44Å; N1406-K1408 VanDerWaalsContact O-N 3.08Å
1407	L	31.3	Very low	33.5	Very low	117 Å²	117	110 Å²	110	61%	0.613	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-2.8	-173	-78.1	158.8	0	0	0	115.8	L1405 S1409 S1410 L1411	L1405-L1407 VanDerWaalsContact C-N 3.29Å; L1405-L1407 PolarHBondContact O-N 3.25Å; L1407-S1409 VanDerWaalsContact C-N 3.25Å; L1407-S1409 PolarHBondContact O-N 2.78Å; L1407-S1410 PolarHBondContact O-N 3.12Å; L1407-L1411 HydrophobicContact CB-CD1 4.32Å; L1407-L1411 PolarHBondContact O-N 2.76Å; L1407-L1411 VanDerWaalsContact O-N 3.11Å
1408	K	29.3	Very low	32.9	Very low	187 Å²	187	112 Å²	112	81%	0.813	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-14.1	-176.8	-89.8	-179.9	175.8	171.4	0	115.3	N1406	N1406-K1408 PolarHBondContact O-N 3.44Å; N1406-K1408 VanDerWaalsContact O-N 3.08Å
1409	S	31.2	Very low	32.2	Very low	75 Å²	75	116 Å²	116	52%	0.524	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-62.1	168.3	46.4	0	0	0	0	110.7	L1407 L1411 K1412 E1413	L1407-S1409 VanDerWaalsContact C-N 3.25Å; L1407-S1409 PolarHBondContact O-N 2.78Å; S1409-L1411 VanDerWaalsContact C-N 3.28Å; S1409-L1411 PolarHBondContact O-N 3.01Å; S1409-K1412 WeakPolarHBondContact O-CB 3.36Å; S1409-K1412 PolarHBondContact O-N 3.16Å; S1409-E1413 PolarHBondContact O-N 3.09Å
1410	S	33.5	Very low	31.7	Very low	60 Å²	60	121.1 Å²	121.1	42%	0.42	62%	0.623	S	S	.	*	H	α-helix	trans	-57.3	-35.3	-175.9	-54.9	0	0	0	0	113.9	L1407 K1412 E1413 L1414	L1407-S1410 PolarHBondContact O-N 3.12Å; S1410-K1412 VanDerWaalsContact C-N 3.29Å; S1410-K1412 PolarHBondContact O-N 2.88Å; S1410-E1413 WeakPolarHBondContact O-CB 3.29Å; S1410-E1413 PolarHBondContact O-N 3.36Å; S1410-E1413 VanDerWaalsContact O-N 3.14Å; S1410-L1414 PolarHBondContact O-N 3.09Å
1411	L	30.9	Very low	31.3	Very low	93 Å²	93	121.4 Å²	121.4	49%	0.487	63%	0.625	S	S	.	*	H	α-helix	trans	-64.4	-29.6	175.2	-81.8	164.4	0	0	0	113.5	L1407 S1409 L1415	L1407-L1411 HydrophobicContact CB-CD1 4.32Å; L1407-L1411 PolarHBondContact O-N 2.76Å; L1407-L1411 VanDerWaalsContact O-N 3.11Å; S1409-L1411 VanDerWaalsContact C-N 3.28Å; S1409-L1411 PolarHBondContact O-N 3.01Å; L1411-L1415 WeakPolarHBondContact O-CB 3.46Å; L1411-L1415 WeakPolarHBondContact O-CG 3.47Å; L1411-L1415 PolarHBondContact O-N 3.17Å; L1411-L1415 VanDerWaalsContact O-N 3.17Å
1412	K	31.9	Very low	30.8	Very low	155 Å²	155	121.5 Å²	121.5	67%	0.674	63%	0.63	S	S	*	*	H	α-helix	trans	-77.4	-24.3	173.2	-79.1	-173.3	172.7	-177.2	0	113	S1409 S1410 R1416	S1409-K1412 WeakPolarHBondContact O-CB 3.36Å; S1409-K1412 PolarHBondContact O-N 3.16Å; S1410-K1412 VanDerWaalsContact C-N 3.29Å; S1410-K1412 PolarHBondContact O-N 2.88Å; K1412-R1416 WeakPolarHBondContact O-CB 3.43Å; K1412-R1416 VanDerWaalsContact O-CD 3.32Å; K1412-R1416 WeakPolarHBondContact O-CD 3.31Å; K1412-R1416 VanDerWaalsContact O-CG 3.25Å; K1412-R1416 WeakPolarHBondContact O-CG 3.45Å
1413	E	34.2	Very low	30.4	Very low	104 Å²	104	125.1 Å²	125.1	49%	0.486	66%	0.655	S	S	.	*	H	α-helix	trans	-74.9	-45.3	171.1	-121.7	66.6	-108.5	0	0	111.1	S1409 S1410 R1416 Q1417	S1409-E1413 PolarHBondContact O-N 3.09Å; S1410-E1413 WeakPolarHBondContact O-CB 3.29Å; S1410-E1413 PolarHBondContact O-N 3.36Å; S1410-E1413 VanDerWaalsContact O-N 3.14Å; E1413-R1416 CarbonylContact O-C 3.58Å; E1413-R1416 WeakPolarHBondContact O-CA 3.37Å; E1413-R1416 WeakPolarHBondContact O-CB 3.4Å; E1413-R1416 PolarHBondContact O-N 3.12Å; E1413-Q1417 WeakPolarHBondContact O-CG 3.42Å; E1413-Q1417 PolarHBondContact O-N 2.67Å; E1413-Q1417 VanDerWaalsContact O-N 3.14Å
1414	L	32.2	Very low	30.4	Very low	73 Å²	73	128.7 Å²	128.7	38%	0.382	66%	0.661	S	S	.	*	H	α-helix	trans	-62.4	-49	179.5	-76.2	159.9	0	0	0	112.1	S1410 R1416 Q1417 E1418	S1410-L1414 PolarHBondContact O-N 3.09Å; L1414-R1416 PolarHBondContact O-N 2.82Å; L1414-Q1417 PolarHBondContact O-N 2.95Å; L1414-E1418 PolarHBondContact O-N 2.95Å
1415	L	32.5	Very low	30.3	Very low	116 Å²	116	131 Å²	131	61%	0.607	67%	0.668	S	S	*	*	H	α-helix	trans	-64.2	-8.3	174.1	-70.3	169.4	0	0	0	113.9	L1411	L1411-L1415 WeakPolarHBondContact O-CB 3.46Å; L1411-L1415 WeakPolarHBondContact O-CG 3.47Å; L1411-L1415 PolarHBondContact O-N 3.17Å; L1411-L1415 VanDerWaalsContact O-N 3.17Å
1416	R	30.7	Very low	30.2	Very low	172 Å²	172	133 Å²	133	65%	0.649	67%	0.673	S	S	*	*	H	α-helix	trans	-99.6	-11.8	170.9	-79.9	176.2	162.3	-173.6	-7	113.9	K1412 E1413 L1414	K1412-R1416 WeakPolarHBondContact O-CB 3.43Å; K1412-R1416 VanDerWaalsContact O-CD 3.32Å; K1412-R1416 WeakPolarHBondContact O-CD 3.31Å; K1412-R1416 VanDerWaalsContact O-CG 3.25Å; K1412-R1416 WeakPolarHBondContact O-CG 3.45Å; E1413-R1416 CarbonylContact O-C 3.58Å; E1413-R1416 WeakPolarHBondContact O-CA 3.37Å; E1413-R1416 WeakPolarHBondContact O-CB 3.4Å; E1413-R1416 PolarHBondContact O-N 3.12Å; L1414-R1416 PolarHBondContact O-N 2.82Å
1417	Q	33.5	Very low	30	Very low	120 Å²	120	134.9 Å²	134.9	56%	0.561	68%	0.677	S	S	*	*	H	α-helix	trans	-102.5	-35.8	178.5	-71.8	-175.3	-3.4	0	0	112.6	E1413 L1414 C1419 K1420	E1413-Q1417 WeakPolarHBondContact O-CG 3.42Å; E1413-Q1417 PolarHBondContact O-N 2.67Å; E1413-Q1417 VanDerWaalsContact O-N 3.14Å; L1414-Q1417 PolarHBondContact O-N 2.95Å; Q1417-C1419 VanDerWaalsContact C-N 3.3Å; Q1417-C1419 PolarHBondContact O-N 2.77Å; Q1417-K1420 PolarHBondContact O-N 2.97Å
1418	E	31.5	Very low	29.7	Very low	121 Å²	121	135.4 Å²	135.4	57%	0.565	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-64	-36.1	177.2	-69	179.8	150.3	0	0	111.5	L1414 K1420	L1414-E1418 PolarHBondContact O-N 2.95Å; E1418-K1420 PolarHBondContact O-N 3.03Å
1419	C	28.4	Very low	29.6	Very low	107 Å²	107	132.4 Å²	132.4	72%	0.723	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-75.6	21	174.6	-56.8	0	0	0	0	115.2	Q1417	Q1417-C1419 VanDerWaalsContact C-N 3.3Å; Q1417-C1419 PolarHBondContact O-N 2.77Å
1420	K	27.6	Very low	29.4	Very low	164 Å²	164	134.3 Å²	134.3	71%	0.713	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-132.9	-8.1	-177.8	-74.3	-166.9	172.4	-170.4	0	116.7	Q1417 E1418	Q1417-K1420 PolarHBondContact O-N 2.97Å; E1418-K1420 PolarHBondContact O-N 3.03Å
1421	N	28	Very low	28.9	Very low	148 Å²	148	137 Å²	137	79%	0.791	72%	0.716	S	S	*	*			trans	-124.2	54.6	-171	-73.3	-33.6	0	0	0	113.4
1422	S	28.6	Very low	28.6	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	71%	0.712	S	S	*	*			trans	-140.8	74.1	174.6	61.5	0	0	0	0	111.9	H1424	S1422-H1424 PolarHBondContact O-N 3.11Å
1423	V	26.7	Very low	28.4	Very low	140 Å²	140	133.1 Å²	133.1	85%	0.848	71%	0.71	S	S	*	*			trans	-94.4	87.2	174.2	-178	0	0	0	0	109.2
1424	H	28.3	Very low	28.1	Very low	191 Å²	191	134.3 Å²	134.3	88%	0.884	72%	0.72	S	S	*	*			trans	-157.9	24.3	160.4	-116.2	-54.3	0	0	0	116.3	S1422	S1422-H1424 PolarHBondContact O-N 3.11Å
1425	E	26	Very low	27.9	Very low	191 Å²	191	138.7 Å²	138.7	89%	0.893	74%	0.736	S	S	*	*			trans	-118.9	105.1	163.6	-79.1	-163.4	124.1	0	0	110.7
1426	Q	27.9	Very low	27.7	Very low	196 Å²	196	138.5 Å²	138.5	92%	0.916	74%	0.735	S	S	*	*			trans	-163.7	52.3	156.4	-119.6	171.2	27.6	0	0	114.3
1427	E	26	Very low	27.6	Very low	199 Å²	199	137.3 Å²	137.3	93%	0.93	74%	0.737	S	S	*	*	S	Bend	trans	-126.2	34.2	163.5	-85.3	-157.7	137.4	0	0	113.3
1428	V	25.7	Very low	27.4	Very low	128 Å²	128	137.5 Å²	137.5	78%	0.776	74%	0.742	S	S	*	*	S	Bend	trans	-134.6	115.6	155.4	-177	0	0	0	0	110.1
1429	C	26.8	Very low	27.3	Very low	123 Å²	123	138.4 Å²	138.4	83%	0.831	75%	0.75	S	S	*	*			trans	50.2	89.1	161.8	-63.2	0	0	0	0	118.8
1430	S	26.9	Very low	27.3	Very low	115 Å²	115	137.7 Å²	137.7	80%	0.804	75%	0.753	S	S	*	*			trans	-55.5	141.2	145.6	55.4	0	0	0	0	112.8
1431	C	23.5	Very low	27.3	Very low	118 Å²	118	133 Å²	133	80%	0.797	75%	0.75	S	S	*	*			trans	-169.7	149.8	139	-116.4	0	0	0	0	111.5
1432	L	24	Very low	27.4	Very low	76 Å²	76	135.1 Å²	135.1	40%	0.398	75%	0.752	S	S	.	*			trans	59	85	175.8	-51.1	174.1	0	0	0	113.8	E1462	L1432-E1462 HydrophobicContact CD2-CG 4.37Å
1433	S	27.8	Very low	27.3	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	75%	0.748	S	S	*	*				65.5	143.1	62.8	100.6	0	0	0	0	113.3
1434	N	27	Very low	27.3	Very low	130 Å²	130	137 Å²	137	70%	0.695	75%	0.746	S	S	*	*			cis	-162.9	161.5	6.1	-145.2	-18.9	0	0	0	112
1435	K	28.4	Very low	27.4	Very low	165 Å²	165	134.2 Å²	134.2	72%	0.717	74%	0.743	S	S	*	*			trans	67.1	158	162.3	-59.6	174.6	-177.7	179	0	117.2
1436	N	28	Very low	27.7	Very low	111 Å²	111	132.1 Å²	132.1	59%	0.594	74%	0.737	S	S	*	*			cis	-166.5	161.1	-19	-100.7	10.4	0	0	0	105
1437	E	28.5	Very low	27.9	Very low	148 Å²	148	128 Å²	128	69%	0.692	73%	0.728	S	S	*	*			cis	-161.2	178.6	1.8	-122.9	152.5	174.9	0	0	109.4
1438	D	28.8	Very low	27.9	Very low	123 Å²	123	126.9 Å²	126.9	66%	0.658	72%	0.723	S	S	*	*			trans	73.5	112.2	144.3	-82.2	25.4	0	0	0	124.7
1439	N	29.8	Very low	28.2	Very low	140 Å²	140	126.1 Å²	126.1	75%	0.749	71%	0.714	S	S	*	*				81.8	147	127.6	-64.2	-33.3	0	0	0	121.8
1440	A	28.7	Very low	28.4	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	71%	0.712	S	S	*	*			cis	-170.9	154.5	-22.7	0	0	0	0	0	111.1
1441	G	28.6	Very low	28.5	Very low	64 Å²	64	132.2 Å²	132.2	66%	0.66	71%	0.713	S	S	*	*			trans	120.3	99.8	168.4	0	0	0	0	0	113.6
1442	K	28.5	Very low	28.7	Very low	193 Å²	193	133.8 Å²	133.8	84%	0.839	71%	0.709	S	S	*	*				67.4	133.4	74.4	-64.2	174.1	-179.2	177.9	0	112.5
1443	A	28.2	Very low	28.9	Very low	78 Å²	78	136 Å²	136	65%	0.645	72%	0.721	S	S	*	*			cis	-173.1	164.7	3.8	0	0	0	0	0	108.5
1444	Y	26.7	Very low	28.9	Very low	206 Å²	206	138.7 Å²	138.7	81%	0.808	73%	0.728	S	S	*	*			cis	-145.3	-140	-9.2	-99	-44.9	0	0	0	107.1
1445	V	28.8	Very low	28.9	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	73%	0.727	S	S	*	*			cis	-155.6	159.4	12.2	-169.5	0	0	0	0	110.6
1446	N	33.2	Very low	28.8	Very low	146 Å²	146	137.4 Å²	137.4	78%	0.781	73%	0.729	S	S	*	*			trans	-64.6	176.3	174.3	-76.1	16.4	0	0	0	115.5
1447	P	31.3	Very low	28.8	Very low	110 Å²	110	136.7 Å²	136.7	71%	0.714	73%	0.732	S	S	*	*			cis	-127.3	-173.3	13.4	47	-31.4	0	0	0	114.2
1448	E	26.9	Very low	28.7	Very low	176 Å²	176	137.1 Å²	137.1	82%	0.822	74%	0.739	S	S	*	*			cis	-151.9	160.4	12.1	-152.2	151	-104.1	0	0	112.7
1449	D	32.1	Very low	28.6	Very low	111 Å²	111	135.9 Å²	135.9	59%	0.594	74%	0.74	S	S	*	*			trans	-30.8	153.6	167.5	-74.1	12.7	0	0	0	116.9
1450	R	30.7	Very low	28.5	Very low	210 Å²	210	135.6 Å²	135.6	79%	0.792	74%	0.743	S	S	*	*			cis	-163.9	-178.6	15.9	-119.7	169	-122	-176.8	0.7	107.8
1451	L	29.5	Very low	28.5	Very low	156 Å²	156	135.2 Å²	135.2	82%	0.817	74%	0.735	S	S	*	*			cis	-153	170.4	20	-136.9	144.5	0	0	0	109.9
1452	E	27.3	Very low	28.5	Very low	152 Å²	152	138.4 Å²	138.4	71%	0.71	73%	0.733	S	S	*	*			trans	-134.4	166.5	-160.8	-164.8	-170.9	-123.2	0	0	112.8
1453	N	27	Very low	28.4	Very low	123 Å²	123	133.9 Å²	133.9	66%	0.658	72%	0.718	S	S	*	*			trans	82.9	114	163.5	-56.2	-63	0	0	0	120.3
1454	D	29.4	Very low	28.4	Very low	145 Å²	145	135.6 Å²	135.6	78%	0.775	72%	0.716	S	S	*	*				155.2	144.6	124.4	-85.1	-2.2	0	0	0	111.6
1455	L	25.8	Very low	28.3	Very low	127 Å²	127	134.2 Å²	134.2	67%	0.665	72%	0.719	S	S	*	*			cis	-165.5	141.5	-21.8	-115.9	171	0	0	0	108.3
1456	N	26.2	Very low	28.1	Very low	141 Å²	141	133.5 Å²	133.5	75%	0.754	72%	0.715	S	S	*	*			trans	32.4	128.2	154.2	-64	-11.6	0	0	0	120.5
1457	S	28.1	Very low	27.8	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	72%	0.716	S	S	*	*				172.6	156.9	57.7	40.7	0	0	0	0	113.6
1458	N	27.7	Very low	27.4	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	72%	0.724	S	S	*	*			trans	53.4	138.2	139.7	-62.6	-8	0	0	0	121.2
1459	S	26.9	Very low	27.4	Very low	97 Å²	97	130 Å²	130	68%	0.678	72%	0.724	S	S	*	*			cis	-169.1	147.6	4.8	52	0	0	0	0	113.5
1460	V	27.6	Very low	27.1	Very low	134 Å²	134	132 Å²	132	81%	0.812	73%	0.733	S	S	*	*				45.7	139.9	124	-175.8	0	0	0	0	119.9
1461	S	27.2	Very low	26.8	Very low	86 Å²	86	129.2 Å²	129.2	60%	0.601	73%	0.733	S	S	*	*			cis	-175	-172.7	-25.4	66.8	0	0	0	0	107.1
1462	E	28.4	Very low	26.5	Very low	131 Å²	131	129.6 Å²	129.6	61%	0.612	73%	0.731	S	S	*	*			cis	-165.1	-171.9	0.6	-136.1	159.8	111.8	0	0	111.3	L1432	L1432-E1462 HydrophobicContact CD2-CG 4.37Å
1463	N	26.9	Very low	26.6	Very low	98 Å²	98	129.6 Å²	129.6	52%	0.524	74%	0.736	S	S	.	*			trans	32.9	119.6	150.3	-56.7	-35.4	0	0	0	121.1
1464	N	28	Very low	26.6	Very low	114 Å²	114	131.5 Å²	131.5	61%	0.61	75%	0.746	S	S	*	*				61.4	108.1	63.7	-71.9	-30.2	0	0	0	115.9
1465	M	26.1	Very low	26.4	Very low	177 Å²	177	128 Å²	128	87%	0.872	74%	0.744	S	S	*	*			trans	-159.6	119.6	132.9	-118.9	-179.1	-179.7	0	0	115.1
1466	T	24.3	Very low	26.4	Very low	117 Å²	117	130.5 Å²	130.5	72%	0.718	75%	0.752	S	S	*	*			trans	36.4	101.7	140.6	55.8	0	0	0	0	121.2
1467	A	26.9	Very low	26.4	Very low	96 Å²	96	130.4 Å²	130.4	79%	0.793	75%	0.751	S	S	*	*				26.4	99.9	120.1	0	0	0	0	0	119.9
1468	T	23.4	Very low	26.4	Very low	146 Å²	146	132.9 Å²	132.9	90%	0.896	76%	0.756	S	S	*	*				-170.3	81.6	127.6	30.4	0	0	0	0	110.2
1469	S	25.5	Very low	26.3	Very low	117 Å²	117	127.6 Å²	127.6	82%	0.818	73%	0.731	S	S	*	*			trans	-149.4	77	171.7	63	0	0	0	0	109.5
1470	I	26.1	Very low	26.3	Very low	154 Å²	154	126.1 Å²	126.1	79%	0.79	72%	0.721	S	S	*	*			trans	-95	138.2	175.3	-62.7	168.9	0	0	0	106.8
1471	L	24.3	Very low	26.3	Very low	151 Å²	151	128.5 Å²	128.5	79%	0.791	72%	0.717	S	S	*	*	S	Bend	trans	73.2	141.8	-174.8	-62.7	145.7	0	0	0	115.5
1472	E	23.3	Very low	26.5	Very low	164 Å²	164	128.1 Å²	128.1	77%	0.766	71%	0.707	S	S	*	*			trans	65.9	159.9	165.5	-63.8	174.6	-179.9	0	0	117.8
1473	N	28.8	Very low	26.4	Very low	152 Å²	152	127.5 Å²	127.5	81%	0.813	70%	0.704	S	S	*	*			trans	56.5	77	-173.3	-49	-53.6	0	0	0	113.6
1474	N	28.1	Very low	26.4	Very low	163 Å²	163	130.3 Å²	130.3	87%	0.872	71%	0.714	S	S	*	*			cis	54.2	91.6	42	-86.4	-20.4	0	0	0	113.8
1475	G	25.1	Very low	26.4	Very low	72 Å²	72	129.7 Å²	129.7	74%	0.742	71%	0.711	S	S	*	*			trans	130.6	145.5	170.5	0	0	0	0	0	113.7
1476	Q	25.5	Very low	26.6	Very low	178 Å²	178	125.3 Å²	125.3	83%	0.832	69%	0.69	S	S	*	*	S	Bend	trans	51.5	76.4	162.3	-56.9	179.1	6.6	0	0	117.1
1477	L	25.4	Very low	26.7	Very low	140 Å²	140	126.5 Å²	126.5	73%	0.733	69%	0.688	S	S	*	*	S	Bend	trans	-172.5	-21	145.2	-105.3	162	0	0	0	112.3	S1479	L1477-S1479 PolarHBondContact O-N 3.21Å
1478	L	28.8	Very low	26.7	Very low	147 Å²	147	130.7 Å²	130.7	77%	0.77	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	34	152.5	-97.1	79.1	0	0	0	112.3	I1482	L1478-I1482 HydrophobicContact CB-CD1 4.12Å; L1478-I1482 HydrophobicContact CD2-CD1 3.93Å; L1478-I1482 HydrophobicContact CG-CD1 3.92Å; L1478-I1482 WeakPolarHBondContact O-CB 3.38Å; L1478-I1482 VanDerWaalsContact O-CG2 3.29Å; L1478-I1482 WeakPolarHBondContact O-CG2 3.19Å
1479	S	26.6	Very low	27	Very low	45 Å²	45	128.7 Å²	128.7	32%	0.315	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.9	17.2	-173	63.2	0	0	0	0	113.1	L1477 Q1483	L1477-S1479 PolarHBondContact O-N 3.21Å; S1479-Q1483 WeakPolarHBondContact O-CB 3.28Å; S1479-Q1483 WeakPolarHBondContact O-CG 3.44Å; S1479-Q1483 PolarHBondContact O-OE1 2.99Å; S1479-Q1483 VanDerWaalsContact O-OE1 3.13Å
1480	S	26.1	Very low	27	Very low	67 Å²	67	129 Å²	129	47%	0.469	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.4	-57.4	168.6	56.8	0	0	0	0	110.6	I1482 Q1483 Q1484	S1480-I1482 VanDerWaalsContact C-N 3.32Å; S1480-I1482 PolarHBondContact O-N 3.47Å; S1480-Q1483 CarbonylContact O-C 3.56Å; S1480-Q1483 WeakPolarHBondContact O-CA 3.36Å; S1480-Q1483 PolarHBondContact O-N 2.96Å; S1480-Q1484 PolarHBondContact O-N 2.86Å
1481	Y	26.7	Very low	26.9	Very low	184 Å²	184	125.7 Å²	125.7	72%	0.722	66%	0.656	S	S	*	*	H	α-helix	trans	-61.8	-41.9	173.1	-149.3	-104.7	0	0	0	111.6	Q1483 Q1484 N1485	Y1481-Q1483 VanDerWaalsContact C-N 3.28Å; Y1481-Q1483 PolarHBondContact O-N 3.43Å; Y1481-Q1484 PolarHBondContact O-N 2.82Å; Y1481-N1485 PolarHBondContact O-N 2.67Å
1482	I	31.3	Very low	27.1	Very low	77 Å²	77	124.8 Å²	124.8	40%	0.395	66%	0.657	S	S	.	*	H	α-helix	trans	-74.3	-12.7	171.9	-82.7	172.3	0	0	0	112.9	L1478 S1480 I1486	L1478-I1482 HydrophobicContact CB-CD1 4.12Å; L1478-I1482 HydrophobicContact CD2-CD1 3.93Å; L1478-I1482 HydrophobicContact CG-CD1 3.92Å; L1478-I1482 WeakPolarHBondContact O-CB 3.38Å; L1478-I1482 VanDerWaalsContact O-CG2 3.29Å; L1478-I1482 WeakPolarHBondContact O-CG2 3.19Å; S1480-I1482 VanDerWaalsContact C-N 3.32Å; S1480-I1482 PolarHBondContact O-N 3.47Å; I1482-I1486 HydrophobicContact CG2-CD1 3.93Å; I1482-I1486 WeakPolarHBondContact O-CB 2.97Å; I1482-I1486 WeakPolarHBondContact O-CG1 3.16Å
1483	Q	26.5	Very low	27.1	Very low	118 Å²	118	124.4 Å²	124.4	55%	0.551	66%	0.657	S	S	*	*	H	α-helix	trans	-90	-29.9	169.7	-83.6	-171.2	-4	0	0	113.6	S1479 S1480 Y1481 H1487	S1479-Q1483 WeakPolarHBondContact O-CB 3.28Å; S1479-Q1483 WeakPolarHBondContact O-CG 3.44Å; S1479-Q1483 PolarHBondContact O-OE1 2.99Å; S1479-Q1483 VanDerWaalsContact O-OE1 3.13Å; S1480-Q1483 CarbonylContact O-C 3.56Å; S1480-Q1483 WeakPolarHBondContact O-CA 3.36Å; S1480-Q1483 PolarHBondContact O-N 2.96Å; Y1481-Q1483 VanDerWaalsContact C-N 3.28Å; Y1481-Q1483 PolarHBondContact O-N 3.43Å; Q1483-H1487 WeakPolarHBondContact O-CB 3.2Å
1484	Q	26.9	Very low	27	Very low	157 Å²	157	126 Å²	126	73%	0.734	66%	0.662	S	S	*	*	H	α-helix	trans	-82	-34.8	178.6	-71.4	-170.6	-15.7	0	0	113.7	S1480 Y1481	S1480-Q1484 PolarHBondContact O-N 2.86Å; Y1481-Q1484 PolarHBondContact O-N 2.82Å
1485	N	29.2	Very low	26.9	Very low	102 Å²	102	126.6 Å²	126.6	55%	0.545	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	-1.8	-178.8	-76.2	-23.6	0	0	0	115.6	Y1481 T1489	Y1481-N1485 PolarHBondContact O-N 2.67Å; N1485-T1489 PolarHBondContact O-OG1 3.21Å; N1485-T1489 VanDerWaalsContact O-OG1 3.04Å
1486	I	29.1	Very low	26.9	Very low	85 Å²	85	130.7 Å²	130.7	44%	0.436	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.6	-26.3	168.9	-59.3	-170.8	0	0	0	111.7	I1482 K1488 T1489 L1490	I1482-I1486 HydrophobicContact CG2-CD1 3.93Å; I1482-I1486 WeakPolarHBondContact O-CB 2.97Å; I1482-I1486 WeakPolarHBondContact O-CG1 3.16Å; I1486-K1488 PolarHBondContact O-N 2.57Å; I1486-T1489 PolarHBondContact O-N 3.03Å; I1486-L1490 HydrophobicContact CG2-CB 4.09Å; I1486-L1490 PolarHBondContact O-N 2.98Å; I1486-L1490 VanDerWaalsContact O-N 3.14Å
1487	H	27.4	Very low	27.2	Very low	142 Å²	142	131.9 Å²	131.9	66%	0.657	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-4.7	176.3	-98.8	-75.8	0	0	0	116.1	Q1483	Q1483-H1487 WeakPolarHBondContact O-CB 3.2Å
1488	K	27.3	Very low	27.2	Very low	183 Å²	183	131 Å²	131	80%	0.796	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-6.2	170.8	-82.8	-172.8	173.7	179.8	0	114.9	I1486	I1486-K1488 PolarHBondContact O-N 2.57Å
1489	T	29.1	Very low	27.1	Very low	105 Å²	105	131 Å²	131	64%	0.644	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-6.5	-167	-20.6	0	0	0	0	113.4	N1485 I1486	N1485-T1489 PolarHBondContact O-OG1 3.21Å; N1485-T1489 VanDerWaalsContact O-OG1 3.04Å; I1486-T1489 PolarHBondContact O-N 3.03Å
1490	L	24.9	Very low	27.1	Very low	123 Å²	123	134.7 Å²	134.7	64%	0.644	67%	0.672	S	S	*	*	S	Bend	trans	-134.8	28	175.5	-143.2	77.6	0	0	0	115.7	I1486	I1486-L1490 HydrophobicContact CG2-CB 4.09Å; I1486-L1490 PolarHBondContact O-N 2.98Å; I1486-L1490 VanDerWaalsContact O-N 3.14Å
1491	P	25.2	Very low	27.1	Very low	84 Å²	84	133.8 Å²	133.8	55%	0.545	66%	0.66	S	S	.	*	S	Bend	trans	-127.8	44	151.7	39.3	-29.5	0	0	0	113.9
1492	T	27.9	Very low	27	Very low	133 Å²	133	128 Å²	128	82%	0.816	64%	0.641	S	S	*	*	S	Bend	trans	-100.8	-3.2	153.7	-25.6	0	0	0	0	111.9
1493	M	24.3	Very low	26.7	Very low	155 Å²	155	129.8 Å²	129.8	76%	0.764	66%	0.659	S	S	*	*	S	Bend	trans	-112.6	105.7	174.6	-62.2	-177.3	78.9	0	0	109.8
1494	M	24.8	Very low	26.6	Very low	187 Å²	187	131.3 Å²	131.3	92%	0.921	66%	0.66	S	S	*	*	S	Bend	trans	68.7	73.8	168.4	-57.5	-158.7	-177.4	0	0	120.4
1495	Q	26.6	Very low	26.4	Very low	175 Å²	175	126.8 Å²	126.8	82%	0.818	65%	0.646	S	S	*	*			trans	179.9	139.8	135.2	-107.5	-170.7	71.9	0	0	109.2
1496	Q	24.8	Very low	26.1	Very low	158 Å²	158	126 Å²	126	74%	0.738	64%	0.64	S	S	*	*			cis	-129.7	149.9	-9	-65.7	156.2	9.1	0	0	106
1497	K	31.8	Very low	26.1	Very low	202 Å²	202	129.5 Å²	129.5	88%	0.878	66%	0.659	S	S	*	*			cis	78.5	60.3	32.2	-148.3	-172.4	-173.5	-174.4	0	116.2
1498	T	25.5	Very low	25.8	Very low	122 Å²	122	124.9 Å²	124.9	75%	0.748	64%	0.642	S	S	*	*			trans	-125.7	114.8	146.5	33.2	0	0	0	0	107.6
1499	I	27.6	Very low	25.8	Very low	146 Å²	146	120.7 Å²	120.7	75%	0.749	63%	0.629	S	S	*	*				71.9	108.2	97.2	-74.5	172.4	0	0	0	110.5
1500	K	26.3	Very low	25.6	Very low	124 Å²	124	119.8 Å²	119.8	54%	0.539	63%	0.627	S	S	.	*			cis	-154.4	156.5	12.5	-110.7	170.6	162.4	-160.6	0	113.7	H88	H88-K1500 PolarHBondContact NE2-NZ 3.42Å
1501	Q	25.1	Very low	25.8	Very low	47 Å²	47	118.7 Å²	118.7	22%	0.22	62%	0.622	C	S	.	*			trans	19.6	127.4	142.7	-59.6	148.1	-24.6	0	0	116.9	H88 I91 E95	H88-Q1501 PolarHBondContact CE1-OE1 2.83Å; H88-Q1501 PolarHBondContact ND1-OE1 3.26Å; H88-Q1501 PolarHBondContact NE2-OE1 3.42Å; I91-Q1501 HydrophobicContact CG2-CG 4.05Å; E95-Q1501 PolarHBondContact OE2-NE2 2.92Å
1502	N	26.3	Very low	25.8	Very low	62 Å²	62	120.2 Å²	120.2	33%	0.332	63%	0.629	S	S	.	*				-156.6	104.4	55.7	-179.3	-7.7	0	0	0	113.4	I91 Y1504	I91-N1502 HydrophobicContact CD1-CB 4.25Å; I91-N1502 VanDerWaalsContact CD1-ND2 3.25Å; I91-N1502 WeakPolarHBondContact CD1-ND2 3.34Å; I91-N1502 VanDerWaalsContact CD1-OD1 3.23Å; I91-N1502 WeakPolarHBondContact CD1-OD1 3.32Å; N1502-Y1504 PolarHBondContact O-N 3.41Å; N1502-Y1504 PolarHBondContact OD1-N 2.73Å; N1502-Y1504 VanDerWaalsContact OD1-N 3.09Å
1503	P	23.5	Very low	25.7	Very low	116 Å²	116	119.6 Å²	119.6	75%	0.753	63%	0.626	S	S	*	*			trans	-92	39.8	178.3	37.7	-36.2	0	0	0	114.1
1504	Y	24.2	Very low	25.9	Very low	149 Å²	149	119.8 Å²	119.8	58%	0.584	62%	0.618	S	S	*	*			trans	-152	84.7	164.7	-95.8	-69.9	0	0	0	111.5	M1 N1502	M1-Y1504 PolarHBondContact N-OH 3.15Å; N1502-Y1504 PolarHBondContact O-N 3.41Å; N1502-Y1504 PolarHBondContact OD1-N 2.73Å; N1502-Y1504 VanDerWaalsContact OD1-N 3.09Å
1505	S	23.1	Very low	26.1	Very low	63 Å²	63	117.9 Å²	117.9	44%	0.441	61%	0.61	S	S	.	*			trans	-149.3	111.8	159.8	71.6	0	0	0	0	115.2	R87	R87-S1505 PolarHBondContact NH1-OG 2.86Å; R87-S1505 VanDerWaalsContact NH1-OG 3.17Å
1506	M	24.3	Very low	26	Very low	84 Å²	84	112.3 Å²	112.3	41%	0.414	59%	0.59	S	S	.	*			trans	65.5	125.7	152.8	-66.7	168.1	150.2	0	0	119.2	I70 K74 R87	I70-M1506 HydrophobicContact CG2-CE 3.64Å; K74-M1506 HydrophobicContact CD-CE 4.16Å; K74-M1506 HydrophobicContact CD-SD 4.48Å; R87-M1506 PolarHBondContact NH2-SD 2.99Å
1507	L	27.6	Very low	26	Very low	160 Å²	160	108.4 Å²	108.4	84%	0.838	58%	0.58	S	S	*	*			cis	47.8	66.2	-6.4	-72.6	173.6	0	0	0	116.3
1508	S	22.4	Very low	25.7	Very low	44 Å²	44	105.7 Å²	105.7	31%	0.308	57%	0.569	S	S	.	*			trans	-126.8	112.1	134.9	57.6	0	0	0	0	104.1	K74	K74-S1508 PolarHBondContact NZ-OG 3.27Å
1509	D	26.9	Very low	25.7	Very low	96 Å²	96	107.2 Å²	107.2	51%	0.513	57%	0.565	S	S	.	*				64.2	133.1	68.3	-54	-42.9	0	0	0	109.5
1510	S	25.4	Very low	25.5	Very low	86 Å²	86	108.5 Å²	108.5	60%	0.601	57%	0.572	S	S	*	*	S	Bend	cis	-101.7	173.4	23.6	73.7	0	0	0	0	114.4
1511	D	28.7	Very low	25.4	Very low	100 Å²	100	107.2 Å²	107.2	54%	0.535	58%	0.578	S	S	.	*			cis	-133.3	135.8	11.8	-106.8	-70.7	0	0	0	114	Y1919	D1511-Y1919 PolarHBondContact OD2-OH 3.4Å
1512	T	25.1	Very low	25.6	Very low	115 Å²	115	113.7 Å²	113.7	71%	0.706	61%	0.609	S	S	*	*			trans	-137.5	87.3	168.6	54.7	0	0	0	0	113.3
1513	T	26.2	Very low	25.6	Very low	121 Å²	121	118.4 Å²	118.4	74%	0.742	63%	0.633	S	S	*	*			trans	-135.4	148.8	152.7	71.3	0	0	0	0	109.7
1514	R	28.6	Very low	25.9	Very low	159 Å²	159	120.2 Å²	120.2	60%	0.6	64%	0.636	S	S	*	*			cis	-127.1	175.8	4.9	-60.1	168.5	178	178.6	-0.3	111.2	P1351 E1352	P1351-R1514 WeakPolarHBondContact CB-O 3.27Å; P1351-R1514 HydrophobicContact CG-CB 3.69Å; P1351-R1514 WeakPolarHBondContact CG-O 3.29Å; E1352-R1514 WeakPolarHBondContact OE1-CD 3.29Å; E1352-R1514 IonicContact OE1-CZ 3.65Å; E1352-R1514 IonicContact OE1-NE 3.59Å; E1352-R1514 IonicContact OE1-NH1 3.69Å; E1352-R1514 PolarHBondContact OE1-NH1 3.04Å; E1352-R1514 IonicContact OE2-NH1 3.27Å
1515	I	28.2	Very low	26.2	Very low	147 Å²	147	118.6 Å²	118.6	75%	0.754	64%	0.638	S	S	*	*			trans	-136.8	133.6	154.2	-63.5	172.4	0	0	0	105.2
1516	S	25.3	Very low	26.5	Very low	58 Å²	58	119.8 Å²	119.8	41%	0.406	65%	0.646	S	S	.	*			trans	-152.8	138.3	159.5	77.6	0	0	0	0	114.9
1517	S	24.8	Very low	26.7	Very low	75 Å²	75	119 Å²	119	52%	0.524	65%	0.652	S	S	.	*			trans	67.1	163.4	165.7	82	0	0	0	0	116.4	N1354	N1354-S1517 PolarHBondContact ND2-OG 3.47Å; N1354-S1517 PolarHBondContact OD1-O 3.46Å
1518	F	24.3	Very low	26.7	Very low	145 Å²	145	117.3 Å²	117.3	64%	0.636	64%	0.644	S	S	*	*			cis	-159.4	142.9	-3.9	-130.3	-39.8	0	0	0	111.2	N1354	N1354-F1518 PolarHBondContact OD1-N 2.99Å; N1354-F1518 PolarHBondContact OD1-O 2.81Å
1519	K	25.7	Very low	27.2	Very low	154 Å²	154	122.8 Å²	122.8	67%	0.67	66%	0.662	S	S	*	*			trans	63	134.8	165.3	-66.5	154.6	-175.1	175.4	0	116.1
1520	I	23.9	Very low	27.2	Very low	174 Å²	174	124.5 Å²	124.5	89%	0.892	67%	0.668	S	S	*	*			cis	69.8	64.4	7.7	-38.1	-178.5	0	0	0	115.2
1521	S	24.8	Very low	27.2	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	67%	0.668	S	S	*	*			trans	-150.4	165.4	141.8	44.7	0	0	0	0	107.7
1522	E	27.6	Very low	27.2	Very low	184 Å²	184	129.8 Å²	129.8	86%	0.86	68%	0.681	S	S	*	*			trans	60.6	84.6	174.9	-58.9	179.9	-155.2	0	0	117.4
1523	L	28.1	Very low	27.3	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	69%	0.687	S	S	*	*			trans	-172.1	65.2	148.8	-109.8	166.8	0	0	0	111.6
1524	N	27.8	Very low	27.3	Very low	154 Å²	154	137.3 Å²	137.3	82%	0.824	69%	0.69	S	S	*	*	S	Bend	trans	-132.8	-0	-175.2	-139	14.6	0	0	0	116.1
1525	D	30.8	Very low	27.1	Very low	116 Å²	116	136.5 Å²	136.5	62%	0.62	70%	0.697	S	S	*	*	S	Bend	trans	-106	-25.9	-176.2	-112.7	-62.2	0	0	0	114.4
1526	S	29.8	Very low	27	Very low	87 Å²	87	134 Å²	134	61%	0.608	69%	0.692	S	S	*	*	H	α-helix	trans	-73.5	-33.8	-174.3	-49.4	0	0	0	0	113.4
1527	A	28.4	Very low	27	Very low	67 Å²	67	139.1 Å²	139.1	55%	0.554	71%	0.712	S	S	*	*	H	α-helix	trans	-70.9	-32.4	-179.1	0	0	0	0	0	112.9	L1531	A1527-L1531 PolarHBondContact O-N 3.48Å
1528	L	28.8	Very low	27.1	Very low	125 Å²	125	143.5 Å²	143.5	65%	0.654	72%	0.724	S	S	*	*	H	α-helix	trans	-80.1	-20	-171.5	-142.1	73.8	0	0	0	113.7
1529	K	31.6	Very low	27.2	Very low	159 Å²	159	144.6 Å²	144.6	69%	0.691	74%	0.735	S	S	*	*	H	α-helix	trans	-80	-37.9	174	-75.4	171.8	179.7	162.3	0	112.5	L1531 K1532	K1529-L1531 VanDerWaalsContact C-N 3.33Å; K1529-L1531 PolarHBondContact O-N 3.28Å; K1529-K1532 PolarHBondContact O-N 3.37Å
1530	M	27.5	Very low	27.1	Very low	132 Å²	132	141.7 Å²	141.7	65%	0.65	73%	0.734	S	S	*	*	H	α-helix	trans	-62.1	-39.2	174.8	-71.4	-75.9	-80.1	0	0	112.2	K1532 Y1533	M1530-K1532 PolarHBondContact O-N 3Å; M1530-K1532 VanDerWaalsContact O-N 3.12Å; M1530-Y1533 PolarHBondContact O-N 2.93Å
1531	L	25.5	Very low	27.1	Very low	115 Å²	115	140.1 Å²	140.1	60%	0.602	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-8.1	-179.2	-86.5	164.1	0	0	0	115.4	A1527 K1529 N1535	A1527-L1531 PolarHBondContact O-N 3.48Å; K1529-L1531 VanDerWaalsContact C-N 3.33Å; K1529-L1531 PolarHBondContact O-N 3.28Å; L1531-N1535 PolarHBondContact O-ND2 3.26Å
1532	K	28	Very low	27.2	Very low	182 Å²	182	141.5 Å²	141.5	79%	0.791	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-14	174.4	-80.2	-171	173	-177.3	0	114.9	K1529 M1530	K1529-K1532 PolarHBondContact O-N 3.37Å; M1530-K1532 PolarHBondContact O-N 3Å; M1530-K1532 VanDerWaalsContact O-N 3.12Å
1533	Y	28.3	Very low	27.1	Very low	213 Å²	213	141.9 Å²	141.9	84%	0.835	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-16.1	-178.2	-140.2	-88.9	0	0	0	113.8	M1530	M1530-Y1533 PolarHBondContact O-N 2.93Å
1534	F	25.8	Very low	26.9	Very low	182 Å²	182	141 Å²	141	80%	0.798	73%	0.731	S	S	*	*	S	Bend	trans	-91.3	7.9	-177.1	-94.2	-87.7	0	0	0	115.1
1535	N	24.8	Very low	26.8	Very low	141 Å²	141	143 Å²	143	75%	0.754	74%	0.735	S	S	*	*	S	Bend	trans	-116.5	38.4	-169.6	-85.5	-49.3	0	0	0	114.4	L1531	L1531-N1535 PolarHBondContact O-ND2 3.26Å
1536	S	26.1	Very low	26.5	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	74%	0.739	S	S	*	*	S	Bend	trans	-154.1	114	171.5	57.2	0	0	0	0	114.6
1537	M	24.9	Very low	26.2	Very low	166 Å²	166	147.8 Å²	147.8	82%	0.818	75%	0.749	S	S	*	*			trans	64.8	114	154.1	-55.6	174.1	73.3	0	0	117
1538	Q	26.5	Very low	25.9	Very low	168 Å²	168	149.9 Å²	149.9	79%	0.785	76%	0.759	S	S	*	*				61.3	106.1	75.1	-67.8	-175.2	-34.2	0	0	112
1539	I	26.4	Very low	25.8	Very low	168 Å²	168	151.8 Å²	151.8	86%	0.862	77%	0.769	S	S	*	*				69.8	90.7	60.2	-54.9	169.9	0	0	0	112.7
1540	S	23.7	Very low	25.4	Very low	93 Å²	93	148.5 Å²	148.5	65%	0.65	77%	0.766	S	S	*	*			trans	-163.8	169.3	142.4	63.4	0	0	0	0	110.9
1541	D	24.9	Very low	25.3	Very low	141 Å²	141	149.3 Å²	149.3	75%	0.754	77%	0.773	S	S	*	*			trans	69.2	72.6	153.4	-45.5	-35.9	0	0	0	119.8
1542	C	26	Very low	25.4	Very low	124 Å²	124	151.3 Å²	151.3	84%	0.838	78%	0.779	S	S	*	*	S	Bend	trans	-72.5	130.4	143.9	-74.1	0	0	0	0	110.2
1543	F	25.5	Very low	25.3	Very low	193 Å²	193	148.5 Å²	148.5	85%	0.846	77%	0.772	S	S	*	*	S	Bend	trans	68.5	152.6	174.9	-76.3	-97.8	0	0	0	117.5
1544	D	24.3	Very low	25.3	Very low	141 Å²	141	146.3 Å²	146.3	75%	0.754	77%	0.77	S	S	*	*			trans	57.8	93.5	174.7	-63.2	-11.1	0	0	0	119.3
1545	H	25.7	Very low	25.2	Very low	197 Å²	197	143.2 Å²	143.2	91%	0.912	77%	0.766	S	S	*	*				-159.4	164.6	115.8	-112.1	61.2	0	0	0	114.9
1546	V	23.8	Very low	25.3	Very low	117 Å²	117	144.8 Å²	144.8	71%	0.709	77%	0.766	S	S	*	*			trans	-125.5	139.4	-164.8	165.4	0	0	0	0	111.8
1547	K	23.1	Very low	25.3	Very low	186 Å²	186	147.8 Å²	147.8	81%	0.809	77%	0.774	S	S	*	*			trans	68.3	144.4	170.8	-71.9	164.2	-178.7	175.1	0	118.1
1548	S	23.7	Very low	25.5	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	77%	0.773	S	S	*	*			trans	70.8	149.8	157.3	80.9	0	0	0	0	116.4
1549	L	25.1	Very low	25.5	Very low	165 Å²	165	146 Å²	146	86%	0.864	78%	0.776	S	S	*	*			cis	-126.1	172.4	-2.1	-99.6	111.2	0	0	0	112.8
1550	S	24.5	Very low	25.7	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	77%	0.771	S	S	*	*			trans	-97.4	168.9	-169.9	54.5	0	0	0	0	116.3
1551	L	25.2	Very low	25.8	Very low	150 Å²	150	143.9 Å²	143.9	79%	0.785	77%	0.773	S	S	*	*			trans	89.1	153.6	141.6	-118.1	111.6	0	0	0	119.8
1552	Q	26.4	Very low	26.1	Very low	156 Å²	156	143 Å²	143	73%	0.729	77%	0.773	S	S	*	*			trans	73.5	134.2	171.2	-58	-164.8	14.5	0	0	117
1553	N	27	Very low	26.2	Very low	124 Å²	124	144.6 Å²	144.6	66%	0.663	77%	0.768	S	S	*	*			cis	-149.2	150.9	-3.7	-98.5	-26.5	0	0	0	114.4
1554	Q	27.1	Very low	26.3	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	76%	0.763	S	S	*	*			trans	-13.3	154.4	143.5	-67.3	177.9	1.2	0	0	118.2
1555	T	25.6	Very low	26.7	Very low	117 Å²	117	141.7 Å²	141.7	72%	0.718	76%	0.763	S	S	*	*			cis	-152.5	-142.7	3.3	24.6	0	0	0	0	109.1
1556	K	25.9	Very low	26.8	Very low	173 Å²	173	139.7 Å²	139.7	75%	0.752	76%	0.759	S	S	*	*			cis	-169.9	124.4	11	-158.4	169.6	-174.4	177.1	0	115
1557	L	25.4	Very low	27.2	Very low	158 Å²	158	141.8 Å²	141.8	83%	0.827	76%	0.763	S	S	*	*			trans	62.5	158.4	161	-94.3	63.2	0	0	0	118.6
1558	S	29.4	Very low	27.4	Very low	114 Å²	114	141 Å²	141	80%	0.797	76%	0.762	S	S	*	*			cis	-145.9	168	8.7	24	0	0	0	0	114.5
1559	Q	26.4	Very low	27.6	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	76%	0.757	S	S	*	*			trans	-107.3	-164.5	-172.7	-119.8	179.4	-3.1	0	0	111.2
1560	P	31.6	Very low	27.7	Very low	118 Å²	118	137.5 Å²	137.5	77%	0.766	75%	0.751	S	S	*	*			cis	-130.4	-174.5	16.9	44.7	-27.2	0	0	0	114.3
1561	S	25.8	Very low	27.7	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	76%	0.759	S	S	*	*			cis	-149.9	-173.9	-3.2	35.2	0	0	0	0	106.6
1562	V	31	Very low	27.8	Very low	124 Å²	124	137.1 Å²	137.1	75%	0.752	76%	0.761	S	S	*	*			cis	-144.3	153.6	10.7	-136	0	0	0	0	105.3
1563	E	27.1	Very low	27.7	Very low	157 Å²	157	136.3 Å²	136.3	73%	0.734	77%	0.767	S	S	*	*			cis	70.8	122.7	40.8	-98.9	-167.7	-112.7	0	0	114.2
1564	Q	29.2	Very low	27.7	Very low	157 Å²	157	138.3 Å²	138.3	73%	0.734	78%	0.778	S	S	*	*			cis	-153.2	-178.8	17.7	-82.5	-178.3	7.9	0	0	111.3
1565	P	31.8	Very low	27.7	Very low	116 Å²	116	136.4 Å²	136.4	75%	0.753	78%	0.777	S	S	*	*			cis	-132.4	-175.9	-36.4	35.2	-15.9	0	0	0	114.6
1566	N	27.5	Very low	28	Very low	155 Å²	155	139.6 Å²	139.6	83%	0.829	78%	0.784	S	S	*	*			trans	-85.1	167.6	-169.6	-47.1	-51.2	0	0	0	117
1567	M	31.9	Very low	28.5	Very low	160 Å²	160	140 Å²	140	79%	0.788	79%	0.786	S	S	*	*				-156.3	133.2	125.8	-102.3	-56.5	179.4	0	0	113
1568	E	28.3	Very low	29.3	Very low	169 Å²	169	139.2 Å²	139.2	79%	0.79	78%	0.783	S	S	*	*			trans	17.9	148.6	153.1	-71	170.3	-168.4	0	0	123.1
1569	S	28	Very low	30.9	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	76%	0.764	S	S	*	*			cis	-167.5	148	-6.8	53.7	0	0	0	0	113.7
1570	S	26.1	Very low	32.7	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	75%	0.749	S	S	*	*			trans	50.4	115.2	152.1	64.2	0	0	0	0	122.3
1571	S	25.3	Very low	34.3	Very low	114 Å²	114	130.1 Å²	130.1	80%	0.797	73%	0.725	S	S	*	*				175.6	156.5	106.5	48.6	0	0	0	0	114.1
1572	S	27.3	Very low	36.2	Very low	118 Å²	118	127.1 Å²	127.1	83%	0.825	70%	0.704	S	S	*	*			trans	49.6	111.5	169.5	55.5	0	0	0	0	119.7
1573	T	24.5	Very low	37.9	Very low	139 Å²	139	121.9 Å²	121.9	85%	0.853	67%	0.671	S	S	*	*			trans	-78.1	139.1	165.5	50.2	0	0	0	0	112.5
1574	N	27	Very low	39.8	Very low	166 Å²	166	115.4 Å²	115.4	89%	0.888	64%	0.641	S	S	*	*			trans	-147.1	145.6	157.9	-127.9	-14	0	0	0	111.3
1575	V	26.7	Very low	41.5	Very low	127 Å²	127	108.3 Å²	108.3	77%	0.77	61%	0.608	S	S	*	*			trans	-96.1	106.4	-166.2	179.8	0	0	0	0	111.4	K1577	V1575-K1577 PolarHBondContact O-N 2.97Å
1576	Q	30.9	Very low	43	Very low	185 Å²	185	103.4 Å²	103.4	86%	0.864	58%	0.575	S	S	*	*			trans	-75.6	114.3	166.8	-72.1	-178.1	-21.1	0	0	110
1577	K	36.6	Very low	44	Very low	181 Å²	181	99.5 Å²	99.5	79%	0.787	56%	0.558	S	S	*	*			trans	-82.3	143.4	161.1	-71.9	-178.9	175.7	179.4	0	108.4	V1575 N1579	V1575-K1577 PolarHBondContact O-N 2.97Å; K1577-N1579 PolarHBondContact O-N 2.93Å; K1577-N1579 PolarHBondContact O-OD1 3.2Å
1578	N	43.5	Very low	45.1	Very low	142 Å²	142	96 Å²	96	76%	0.759	54%	0.54	S	S	*	.			trans	-75.4	115.3	-172.7	-69.4	-21.2	0	0	0	112.3	I1580	N1578-I1580 VanDerWaalsContact C-N 3.26Å; N1578-I1580 HydrophobicContact CB-CD1 4.32Å; N1578-I1580 HydrophobicContact CB-CG1 4.36Å; N1578-I1580 PolarHBondContact O-N 3.29Å
1579	N	61.5	Low	46.3	Very low	75 Å²	75	93.4 Å²	93.4	40%	0.401	53%	0.526	S	S	.	.			trans	-77.3	65	177.5	-68.7	0.8	0	0	0	112.6	K1577 N1596 S1597	K1577-N1579 PolarHBondContact O-N 2.93Å; K1577-N1579 PolarHBondContact O-OD1 3.2Å; N1579-N1596 WeakPolarHBondContact O-CA 3.37Å; N1579-S1597 WeakPolarHBondContact CB-OG 3.49Å; N1579-S1597 PolarHBondContact O-N 3.38Å
1580	I	64.1	Low	48	Very low	104 Å²	104	92.7 Å²	92.7	53%	0.533	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.5	176.1	-59.8	174.5	0	0	0	109.3	N1578 T1594 V1595	N1578-I1580 VanDerWaalsContact C-N 3.26Å; N1578-I1580 HydrophobicContact CB-CD1 4.32Å; N1578-I1580 HydrophobicContact CB-CG1 4.36Å; N1578-I1580 PolarHBondContact O-N 3.29Å; I1580-T1594 HydrophobicContact CG2-CG2 3.41Å; I1580-T1594 VanDerWaalsContact CG2-CG2 3.41Å; I1580-V1595 WeakPolarHBondContact CA-O 3.3Å
1581	V	67.2	Low	50.2	Low	42 Å²	42	87.9 Å²	87.9	26%	0.255	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.6	-177.1	-165.8	0	0	0	0	110.4	I1398 V1595	I1398-V1581 HydrophobicContact CD1-CB 4.37Å; I1398-V1581 HydrophobicContact CD1-CG1 3.73Å; I1398-V1581 HydrophobicContact CD1-CG2 4.43Å; I1398-V1581 HydrophobicContact CG1-CG1 3.96Å; I1398-V1581 HydrophobicContact CG1-CG2 4.34Å; V1581-V1595 PolarHBondContact N-O 3.25Å; V1581-V1595 PolarHBondContact O-N 2.84Å
1582	S	65.5	Low	52.3	Low	37 Å²	37	87.3 Å²	87.3	26%	0.259	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.2	167.8	63.2	0	0	0	0	111.1	R1592 F1593	S1582-R1592 VanDerWaalsContact CB-NE 3.34Å; S1582-R1592 PolarHBondContact OG-NH2 3.14Å; S1582-R1592 VanDerWaalsContact OG-NH2 3.16Å; S1582-F1593 CarbonylContact C-O 3.39Å; S1582-F1593 WeakPolarHBondContact CA-O 3.42Å
1583	F	66.8	Low	54.7	Low	14 Å²	14	81.7 Å²	81.7	6%	0.061	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.6	178.4	174.4	-118.6	0	0	0	110.3	L1585 F1593 V1595 A1600 V1603 T1604	F1583-L1585 HydrophobicContact CD1-CG 4.44Å; F1583-L1585 HydrophobicContact CE1-CD1 4.15Å; F1583-L1585 HydrophobicContact CE1-CD2 3.57Å; F1583-L1585 HydrophobicContact CE1-CG 3.77Å; F1583-L1585 HydrophobicContact CE2-CD2 4.37Å; F1583-L1585 HydrophobicContact CZ-CD2 3.42Å; F1583-L1585 VanDerWaalsContact CZ-CD2 3.42Å; F1583-L1585 HydrophobicContact CZ-CG 4.05Å; F1583-F1593 HydrophobicContact CD1-CB 4.36Å; F1583-F1593 HydrophobicContact CD1-CD2 4.21Å; F1583-F1593 PolarHBondContact N-O 3.16Å; F1583-F1593 PolarHBondContact O-N 3.36Å; F1583-V1595 HydrophobicContact CB-CG2 4.43Å; F1583-A1600 HydrophobicContact CB-CB 4.37Å; F1583-A1600 HydrophobicContact CD2-CB 4.28Å; F1583-A1600 HydrophobicContact CG-CB 4.44Å; F1583-V1603 HydrophobicContact CE1-CG1 4.14Å; F1583-V1603 HydrophobicContact CZ-CG1 4.22Å; F1583-T1604 VanDerWaalsContact CE2-OG1 3.29Å; F1583-T1604 WeakPolarHBondContact CE2-OG1 3.31Å
1584	H	67	Low	57.1	Low	21 Å²	21	75.6 Å²	75.6	10%	0.097	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.7	-178.3	-67.2	-82.4	0	0	0	110.8	E1394 R1592	E1394-H1584 IonicContact OE2-CD2 3.73Å; H1584-R1592 PolarHBondContact CE1-NE 3.07Å; H1584-R1592 PolarHBondContact NE2-NE 3.07Å
1585	L	64.1	Low	59.7	Low	8 Å²	8	67.9 Å²	67.9	4%	0.042	34%	0.339	C	S	.	.			trans	-114.1	-20.9	-175.5	-73.5	167.7	0	0	0	114.8	A1379 F1583 L1591 F1593	A1379-L1585 HydrophobicContact CB-CD1 4.13Å; F1583-L1585 HydrophobicContact CD1-CG 4.44Å; F1583-L1585 HydrophobicContact CE1-CD1 4.15Å; F1583-L1585 HydrophobicContact CE1-CD2 3.57Å; F1583-L1585 HydrophobicContact CE1-CG 3.77Å; F1583-L1585 HydrophobicContact CE2-CD2 4.37Å; F1583-L1585 HydrophobicContact CZ-CD2 3.42Å; F1583-L1585 VanDerWaalsContact CZ-CD2 3.42Å; F1583-L1585 HydrophobicContact CZ-CG 4.05Å; L1585-L1591 HydrophobicContact CB-CB 4.19Å; L1585-L1591 HydrophobicContact CB-CD1 4.4Å; L1585-L1591 HydrophobicContact CD1-CB 4.41Å; L1585-L1591 HydrophobicContact CD1-CD1 4.15Å; L1585-F1593 HydrophobicContact CD1-CD2 4.24Å; L1585-F1593 HydrophobicContact CD1-CE2 3.72Å
1586	D	62.7	Low	62.3	Low	12 Å²	12	64.8 Å²	64.8	6%	0.064	32%	0.318	C	S	.	.	S	Bend	trans	-125.1	146.1	-171.5	68.4	-62.1	0	0	0	111.2	H1588 K1589 F1590 L1591	D1586-H1588 PolarHBondContact O-N 3.31Å; D1586-H1588 VanDerWaalsContact OD2-C 3.25Å; D1586-H1588 WeakPolarHBondContact OD2-CA 3.35Å; D1586-H1588 WeakPolarHBondContact OD2-CB 3.46Å; D1586-H1588 PolarHBondContact OD2-N 3.42Å; D1586-K1589 PolarHBondContact O-N 3.07Å; D1586-K1589 PolarHBondContact OD2-N 3.47Å; D1586-F1590 PolarHBondContact OD1-N 3.48Å; D1586-F1590 VanDerWaalsContact OD1-N 3.13Å; D1586-F1590 PolarHBondContact OD2-N 2.84Å; D1586-L1591 PolarHBondContact OD1-N 3.36Å
1587	P	49.8	Very low	64.4	Low	74 Å²	74	56.1 Å²	56.1	48%	0.481	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.4	-179.7	26.3	-32.5	0	0	0	113.4
1588	H	53.3	Low	66.6	Low	87 Å²	87	51.2 Å²	51.2	40%	0.403	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.4	176.1	-51.2	-102.7	0	0	0	112.7	E1115 D1586 F1590	E1115-H1588 IonicContact OE1-CE1 3.59Å; D1586-H1588 PolarHBondContact O-N 3.31Å; D1586-H1588 VanDerWaalsContact OD2-C 3.25Å; D1586-H1588 WeakPolarHBondContact OD2-CA 3.35Å; D1586-H1588 WeakPolarHBondContact OD2-CB 3.46Å; D1586-H1588 PolarHBondContact OD2-N 3.42Å; H1588-F1590 VanDerWaalsContact C-N 3.3Å; H1588-F1590 HydrophobicContact CB-CD2 3.61Å; H1588-F1590 HydrophobicContact CB-CE2 3.43Å; H1588-F1590 VanDerWaalsContact CB-CE2 3.43Å; H1588-F1590 HydrophobicContact CB-CG 4.46Å; H1588-F1590 HydrophobicContact CB-CZ 4.14Å; H1588-F1590 PolarHBondContact O-N 3.31Å
1589	K	54.8	Low	68.6	Low	114 Å²	114	45.2 Å²	45.2	50%	0.496	23%	0.228	S	C	.	.			trans	63.2	17.4	176.5	-50.2	-168.5	178.1	-155.5	0	116.7	D1586	D1586-K1589 PolarHBondContact O-N 3.07Å; D1586-K1589 PolarHBondContact OD2-N 3.47Å
1590	F	64.1	Low	69.5	Low	81 Å²	81	41.8 Å²	41.8	36%	0.355	21%	0.21	S	C	.	.			trans	-72.5	-30.2	-179.3	-59.5	-52.3	0	0	0	113.3	V1300 D1586 H1588 R1592	V1300-F1590 HydrophobicContact CG1-CB 4.37Å; D1586-F1590 PolarHBondContact OD1-N 3.48Å; D1586-F1590 VanDerWaalsContact OD1-N 3.13Å; D1586-F1590 PolarHBondContact OD2-N 2.84Å; H1588-F1590 VanDerWaalsContact C-N 3.3Å; H1588-F1590 HydrophobicContact CB-CD2 3.61Å; H1588-F1590 HydrophobicContact CB-CE2 3.43Å; H1588-F1590 VanDerWaalsContact CB-CE2 3.43Å; H1588-F1590 HydrophobicContact CB-CG 4.46Å; H1588-F1590 HydrophobicContact CB-CZ 4.14Å; H1588-F1590 PolarHBondContact O-N 3.31Å; F1590-R1592 PolarHBondContact O-N 3.34Å
1591	L	70.7	Confident	70.4	Confident	4 Å²	4	39 Å²	39	2%	0.021	20%	0.196	C	C	.	.			trans	-91	86.7	174.5	-70.8	-169.2	0	0	0	110.9	Y1284 L1287 V1300 W1333 V1378 L1585 D1586 F1593	Y1284-L1591 HydrophobicContact CE2-CD1 3.85Å; L1287-L1591 HydrophobicContact CD1-CD2 4.4Å; V1300-L1591 HydrophobicContact CG1-CD2 4.23Å; W1333-L1591 HydrophobicContact CH2-CD2 3.4Å; W1333-L1591 VanDerWaalsContact CH2-CD2 3.4Å; W1333-L1591 HydrophobicContact CZ2-CD2 4.38Å; W1333-L1591 HydrophobicContact CZ3-CD2 3.71Å; V1378-L1591 HydrophobicContact CG1-CD1 4.06Å; V1378-L1591 HydrophobicContact CG1-CD2 4.13Å; L1585-L1591 HydrophobicContact CB-CB 4.19Å; L1585-L1591 HydrophobicContact CB-CD1 4.4Å; L1585-L1591 HydrophobicContact CD1-CB 4.41Å; L1585-L1591 HydrophobicContact CD1-CD1 4.15Å; D1586-L1591 PolarHBondContact OD1-N 3.36Å; L1591-F1593 HydrophobicContact CB-CE2 4.2Å
1592	R	70.5	Confident	71.4	Confident	102 Å²	102	38.9 Å²	38.9	39%	0.385	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.2	175	-167.5	177.6	-148.1	-158	10.5	111.9	E136 T137 S1582 H1584 F1590	E136-R1592 IonicContact OE1-CZ 1.85Å; E136-R1592 IonicContact OE1-NH1 3.98Å; E136-R1592 PolarHBondContact OE1-NH1 3.31Å; T137-R1592 PolarHBondContact OG1-O 3.12Å; S1582-R1592 VanDerWaalsContact CB-NE 3.34Å; S1582-R1592 PolarHBondContact OG-NH2 3.14Å; S1582-R1592 VanDerWaalsContact OG-NH2 3.16Å; H1584-R1592 PolarHBondContact CE1-NE 3.07Å; H1584-R1592 PolarHBondContact NE2-NE 3.07Å; F1590-R1592 PolarHBondContact O-N 3.34Å
1593	F	76.4	Confident	72.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.7	172.4	-60.3	-88.2	0	0	0	110.7	T137 F139 W1333 P1375 V1378 A1379 S1582 F1583 L1585 L1591 V1595	T137-F1593 VanDerWaalsContact O-CA 3.27Å; T137-F1593 WeakPolarHBondContact O-CA 3.29Å; F139-F1593 HydrophobicContact CD1-CB 4.04Å; F139-F1593 AromaticContact CD1-CD1 3.68Å; F139-F1593 HydrophobicContact CD1-CD1 3.68Å; F139-F1593 HydrophobicContact CD1-CE1 4.43Å; F139-F1593 HydrophobicContact CD1-CG 4.03Å; F139-F1593 HydrophobicContact CE1-CB 3.77Å; F139-F1593 AromaticContact CE1-CD1 3.92Å; F139-F1593 HydrophobicContact CE1-CD1 3.92Å; F139-F1593 AromaticContact CE1-CG 3.81Å; F139-F1593 HydrophobicContact CE1-CG 3.81Å; W1333-F1593 AromaticContact CZ2-CE1 3.95Å; W1333-F1593 HydrophobicContact CZ2-CE1 3.95Å; W1333-F1593 AromaticContact CZ2-CZ 3.96Å; W1333-F1593 HydrophobicContact CZ2-CZ 3.96Å; W1333-F1593 AromaticContact NE1-CE1 3.81Å; P1375-F1593 HydrophobicContact CB-CE1 4.17Å; V1378-F1593 HydrophobicContact CB-CZ 4.35Å; V1378-F1593 HydrophobicContact CG1-CZ 4.06Å; A1379-F1593 HydrophobicContact CB-CE2 4.33Å; A1379-F1593 HydrophobicContact CB-CZ 4.44Å; S1582-F1593 CarbonylContact C-O 3.39Å; S1582-F1593 WeakPolarHBondContact CA-O 3.42Å; F1583-F1593 HydrophobicContact CD1-CB 4.36Å; F1583-F1593 HydrophobicContact CD1-CD2 4.21Å; F1583-F1593 PolarHBondContact N-O 3.16Å; F1583-F1593 PolarHBondContact O-N 3.36Å; L1585-F1593 HydrophobicContact CD1-CD2 4.24Å; L1585-F1593 HydrophobicContact CD1-CE2 3.72Å; L1591-F1593 HydrophobicContact CB-CE2 4.2Å; F1593-V1595 HydrophobicContact CB-CG2 3.71Å
1594	T	75.5	Confident	73.2	Confident	12 Å²	12	37 Å²	37	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.6	178.7	-67.9	0	0	0	0	109.5	E136 T137 K138 I1580	E136-T1594 PolarHBondContact OE2-OG1 3.31Å; T137-T1594 PolarHBondContact O-N 2.82Å; T137-T1594 VanDerWaalsContact O-N 3.11Å; K138-T1594 WeakPolarHBondContact CA-O 3.12Å; K138-T1594 HydrophobicContact CG-CG2 4.24Å; K138-T1594 WeakPolarHBondContact CG-O 3.34Å; I1580-T1594 HydrophobicContact CG2-CG2 3.41Å; I1580-T1594 VanDerWaalsContact CG2-CG2 3.41Å
1595	V	81.3	Confident	74.1	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.4	-157.6	-170	0	0	0	0	110.3	F139 I1580 V1581 F1583 F1593 E1599 A1600	F139-V1595 HydrophobicContact CD1-CG2 3.89Å; F139-V1595 HydrophobicContact CD2-CG1 4.3Å; F139-V1595 HydrophobicContact CE1-CG2 3.53Å; F139-V1595 HydrophobicContact CE2-CG1 3.79Å; F139-V1595 HydrophobicContact CE2-CG2 4.18Å; F139-V1595 HydrophobicContact CG-CG2 4.36Å; F139-V1595 HydrophobicContact CZ-CG1 3.96Å; F139-V1595 HydrophobicContact CZ-CG2 3.68Å; I1580-V1595 WeakPolarHBondContact CA-O 3.3Å; V1581-V1595 PolarHBondContact N-O 3.25Å; V1581-V1595 PolarHBondContact O-N 2.84Å; F1583-V1595 HydrophobicContact CB-CG2 4.43Å; F1593-V1595 HydrophobicContact CB-CG2 3.71Å; V1595-E1599 HydrophobicContact CG1-CB 3.77Å; V1595-A1600 HydrophobicContact CB-CB 4.48Å; V1595-A1600 HydrophobicContact CG1-CB 4.43Å
1596	N	82.9	Confident	75.4	Confident	62 Å²	62	38.7 Å²	38.7	33%	0.332	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.7	168.3	-176.5	-49.8	0	0	0	110.5	N1579 N1598 E1599 A1600	N1579-N1596 WeakPolarHBondContact O-CA 3.37Å; N1596-N1598 PolarHBondContact O-N 3.38Å; N1596-N1598 VanDerWaalsContact O-N 3.11Å; N1596-N1598 PolarHBondContact OD1-N 2.89Å; N1596-E1599 HydrophobicContact CB-CB 4.26Å; N1596-E1599 HydrophobicContact CB-CG 4.05Å; N1596-E1599 PolarHBondContact O-N 3.17Å; N1596-A1600 PolarHBondContact O-N 3.37Å
1597	S	74.9	Confident	76.6	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-46.4	-43.6	178.7	57.5	0	0	0	0	113.6	N1579 I1601	N1579-S1597 WeakPolarHBondContact CB-OG 3.49Å; N1579-S1597 PolarHBondContact O-N 3.38Å; S1597-I1601 WeakPolarHBondContact O-CG1 3.35Å; S1597-I1601 PolarHBondContact O-N 3.28Å
1598	N	82.3	Confident	78.4	Confident	78 Å²	78	35.7 Å²	35.7	42%	0.417	17%	0.168	S	C	.	.	H	α-helix	trans	-74.9	-32.4	-173.9	-61	7.8	0	0	0	111.2	I1402 N1596 M1602	I1402-N1598 WeakPolarHBondContact CD1-OD1 3.4Å; N1596-N1598 PolarHBondContact O-N 3.38Å; N1596-N1598 VanDerWaalsContact O-N 3.11Å; N1596-N1598 PolarHBondContact OD1-N 2.89Å; N1598-M1602 VanDerWaalsContact O-CG 3.31Å; N1598-M1602 WeakPolarHBondContact O-CG 3.48Å; N1598-M1602 PolarHBondContact O-N 2.9Å
1599	E	85.3	Confident	80.1	Confident	17 Å²	17	32 Å²	32	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-77.1	-35.1	178.5	-62.5	-180	-141.7	0	0	111.3	S140 L141 K146 V1595 N1596 I1601 M1602 V1603	S140-E1599 VanDerWaalsContact CA-OE2 3.27Å; S140-E1599 WeakPolarHBondContact CA-OE2 3.39Å; L141-E1599 HydrophobicContact CD1-CB 4.24Å; L141-E1599 HydrophobicContact CD1-CG 4.45Å; L141-E1599 PolarHBondContact N-OE2 3.05Å; K146-E1599 VanDerWaalsContact CE-CG 3.5Å; K146-E1599 WeakPolarHBondContact CE-OE1 3.21Å; K146-E1599 WeakPolarHBondContact CE-OE2 3.35Å; K146-E1599 IonicContact NZ-OE1 2.84Å; K146-E1599 PolarHBondContact NZ-OE1 3.5Å; K146-E1599 IonicContact NZ-OE2 2.8Å; K146-E1599 PolarHBondContact NZ-OE2 2.92Å; V1595-E1599 HydrophobicContact CG1-CB 3.77Å; N1596-E1599 HydrophobicContact CB-CB 4.26Å; N1596-E1599 HydrophobicContact CB-CG 4.05Å; N1596-E1599 PolarHBondContact O-N 3.17Å; E1599-I1601 VanDerWaalsContact C-N 3.32Å; E1599-I1601 PolarHBondContact O-N 2.8Å; E1599-M1602 PolarHBondContact O-N 3.19Å; E1599-V1603 WeakPolarHBondContact O-CG2 3.25Å; E1599-V1603 PolarHBondContact O-N 2.95Å
1600	A	79.9	Confident	81.8	Confident	2 Å²	2	26.6 Å²	26.6	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-40.1	170.9	0	0	0	0	0	111.8	F1583 V1595 N1596 T1604	F1583-A1600 HydrophobicContact CB-CB 4.37Å; F1583-A1600 HydrophobicContact CD2-CB 4.28Å; F1583-A1600 HydrophobicContact CG-CB 4.44Å; V1595-A1600 HydrophobicContact CB-CB 4.48Å; V1595-A1600 HydrophobicContact CG1-CB 4.43Å; N1596-A1600 PolarHBondContact O-N 3.37Å; A1600-T1604 WeakPolarHBondContact O-CB 3.49Å; A1600-T1604 PolarHBondContact O-N 3Å; A1600-T1604 PolarHBondContact O-OG1 3.2Å
1601	I	82.7	Confident	83.1	Confident	47 Å²	47	22.9 Å²	22.9	24%	0.241	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-51.8	173.2	-67	164.1	0	0	0	110.4	I1398 S1597 E1599 V1603 T1604 E1605	I1398-I1601 HydrophobicContact CG2-CD1 4.28Å; S1597-I1601 WeakPolarHBondContact O-CG1 3.35Å; S1597-I1601 PolarHBondContact O-N 3.28Å; E1599-I1601 VanDerWaalsContact C-N 3.32Å; E1599-I1601 PolarHBondContact O-N 2.8Å; I1601-V1603 VanDerWaalsContact C-N 3.33Å; I1601-V1603 PolarHBondContact O-N 3.12Å; I1601-T1604 WeakPolarHBondContact O-CB 3.34Å; I1601-T1604 PolarHBondContact O-N 2.75Å; I1601-E1605 HydrophobicContact CG2-CG 4.33Å; I1601-E1605 PolarHBondContact O-N 3.42Å
1602	M	88.3	Confident	83.8	Confident	38 Å²	38	22.7 Å²	22.7	19%	0.187	11%	0.11	C	C	.	.	H	α-helix	trans	-52.9	-45.5	177.6	-76.5	173.9	178.4	0	0	113.2	L141 K146 I149 T150 N1598 E1599 L1606	L141-M1602 HydrophobicContact CD1-CB 4.24Å; L141-M1602 HydrophobicContact CD1-SD 4.4Å; K146-M1602 HydrophobicContact CG-SD 4.09Å; I149-M1602 HydrophobicContact CD1-CB 4.49Å; I149-M1602 HydrophobicContact CG2-CB 3.84Å; I149-M1602 HydrophobicContact CG2-CG 4.04Å; T150-M1602 WeakPolarHBondContact OG1-CE 3.23Å; N1598-M1602 VanDerWaalsContact O-CG 3.31Å; N1598-M1602 WeakPolarHBondContact O-CG 3.48Å; N1598-M1602 PolarHBondContact O-N 2.9Å; E1599-M1602 PolarHBondContact O-N 3.19Å; M1602-L1606 WeakPolarHBondContact O-CB 3.45Å; M1602-L1606 PolarHBondContact O-N 3.44Å
1603	V	87	Confident	84.7	Confident	1 Å²	1	18 Å²	18	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-67.9	-38.9	177.5	173.7	0	0	0	0	111.5	F139 L141 I1376 A1379 L1380 F1583 E1599 I1601 R1607	F139-V1603 HydrophobicContact CE2-CG2 3.93Å; F139-V1603 HydrophobicContact CZ-CG2 4Å; L141-V1603 HydrophobicContact CD1-CG2 4.07Å; L141-V1603 HydrophobicContact CD2-CG2 4.3Å; L141-V1603 HydrophobicContact CG-CG2 4.47Å; I1376-V1603 HydrophobicContact CD1-CG1 4.18Å; I1376-V1603 HydrophobicContact CD1-CG2 3.61Å; A1379-V1603 HydrophobicContact CB-CG1 4.29Å; L1380-V1603 HydrophobicContact CD2-CG1 3.91Å; F1583-V1603 HydrophobicContact CE1-CG1 4.14Å; F1583-V1603 HydrophobicContact CZ-CG1 4.22Å; E1599-V1603 WeakPolarHBondContact O-CG2 3.25Å; E1599-V1603 PolarHBondContact O-N 2.95Å; I1601-V1603 VanDerWaalsContact C-N 3.33Å; I1601-V1603 PolarHBondContact O-N 3.12Å; V1603-R1607 VanDerWaalsContact O-CB 3.27Å; V1603-R1607 WeakPolarHBondContact O-CB 3.38Å; V1603-R1607 PolarHBondContact O-N 2.8Å
1604	T	82.9	Confident	85.4	Confident	11 Å²	11	18 Å²	18	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-62.8	-48.1	177	-56.7	0	0	0	0	111.5	I1391 T1395 F1583 A1600 I1601 R1607 Q1608	I1391-T1604 HydrophobicContact CG2-CG2 4.3Å; T1395-T1604 HydrophobicContact CG2-CG2 4.45Å; F1583-T1604 VanDerWaalsContact CE2-OG1 3.29Å; F1583-T1604 WeakPolarHBondContact CE2-OG1 3.31Å; A1600-T1604 WeakPolarHBondContact O-CB 3.49Å; A1600-T1604 PolarHBondContact O-N 3Å; A1600-T1604 PolarHBondContact O-OG1 3.2Å; I1601-T1604 WeakPolarHBondContact O-CB 3.34Å; I1601-T1604 PolarHBondContact O-N 2.75Å; T1604-R1607 PolarHBondContact O-N 3.16Å; T1604-Q1608 WeakPolarHBondContact O-CG 3.44Å; T1604-Q1608 PolarHBondContact O-N 2.99Å
1605	E	86.8	Confident	85.9	Confident	65 Å²	65	18.3 Å²	18.3	30%	0.304	9%	0.093	S	C	.	.	H	α-helix	trans	-69.6	-37.7	-178.2	-66.7	-172.5	118	0	0	112.2	L153 V158 I1601 Q1608 K1609	L153-E1605 HydrophobicContact CD1-CB 3.87Å; L153-E1605 HydrophobicContact CD2-CB 3.84Å; V158-E1605 HydrophobicContact CG2-CB 3.83Å; V158-E1605 HydrophobicContact CG2-CG 4.08Å; I1601-E1605 HydrophobicContact CG2-CG 4.33Å; I1601-E1605 PolarHBondContact O-N 3.42Å; E1605-Q1608 PolarHBondContact O-N 2.97Å; E1605-K1609 PolarHBondContact O-N 2.96Å
1606	L	90.9	Very high	86.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.7	-43.7	170.9	-178.9	64.6	0	0	0	111.5	I149 L152 L1380 M1602 K1609 W1610 V1639	I149-L1606 HydrophobicContact CD1-CD2 4.06Å; I149-L1606 HydrophobicContact CG1-CD2 4.07Å; L152-L1606 HydrophobicContact CD2-CD1 3.83Å; L1380-L1606 HydrophobicContact CD1-CD2 3.93Å; L1380-L1606 HydrophobicContact CD2-CB 4.4Å; L1380-L1606 HydrophobicContact CD2-CD2 3.89Å; L1380-L1606 HydrophobicContact CD2-CG 4.17Å; M1602-L1606 WeakPolarHBondContact O-CB 3.45Å; M1602-L1606 PolarHBondContact O-N 3.44Å; L1606-K1609 PolarHBondContact O-N 2.73Å; L1606-W1610 WeakPolarHBondContact O-CB 3.37Å; L1606-W1610 PolarHBondContact O-N 2.88Å; L1606-V1639 HydrophobicContact CD2-CG2 4.23Å
1607	R	88.7	Confident	86.3	Confident	12 Å²	12	19.8 Å²	19.8	5%	0.045	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-42	176.7	-170.5	-179.8	-177.1	-79.4	2	111.3	L1380 G1382 S1384 V1603 T1604 W1610 H1611	L1380-R1607 HydrophobicContact CD2-CB 4.35Å; G1382-R1607 PolarHBondContact O-NE 3.38Å; G1382-R1607 PolarHBondContact O-NH2 2.96Å; S1384-R1607 PolarHBondContact O-NH2 2.85Å; V1603-R1607 VanDerWaalsContact O-CB 3.27Å; V1603-R1607 WeakPolarHBondContact O-CB 3.38Å; V1603-R1607 PolarHBondContact O-N 2.8Å; T1604-R1607 PolarHBondContact O-N 3.16Å; R1607-W1610 PolarHBondContact O-N 3.38Å; R1607-H1611 PolarHBondContact NH1-CE1 2.83Å; R1607-H1611 PolarHBondContact NH1-ND1 3.16Å; R1607-H1611 PolarHBondContact NH2-CE1 2.93Å; R1607-H1611 WeakPolarHBondContact O-CB 3.35Å; R1607-H1611 VanDerWaalsContact O-CG 3.31Å; R1607-H1611 PolarHBondContact O-N 3.06Å
1608	Q	86.6	Confident	86.7	Confident	11 Å²	11	19.7 Å²	19.7	5%	0.051	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-47.9	174	-73.2	178.8	-0.4	0	0	111.6	V158 L166 V1387 T1604 E1605 W1610 H1611 A1612	V158-Q1608 HydrophobicContact CG1-CB 4.24Å; L166-Q1608 HydrophobicContact CD1-CB 3.85Å; L166-Q1608 HydrophobicContact CD1-CG 3.97Å; V1387-Q1608 HydrophobicContact CG2-CG 4.29Å; T1604-Q1608 WeakPolarHBondContact O-CG 3.44Å; T1604-Q1608 PolarHBondContact O-N 2.99Å; E1605-Q1608 PolarHBondContact O-N 2.97Å; Q1608-W1610 PolarHBondContact O-N 3.3Å; Q1608-H1611 PolarHBondContact O-N 3.5Å; Q1608-A1612 WeakPolarHBondContact O-CB 3.41Å; Q1608-A1612 PolarHBondContact O-N 3.48Å
1609	K	90.2	Very high	86.7	Confident	9 Å²	9	18.9 Å²	18.9	4%	0.039	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-45.7	174.8	-78.2	-61.5	-167.3	-179.3	0	113.1	N156 P157 V158 E162 E1605 L1606 L1613 V1632	N156-K1609 WeakPolarHBondContact O-CE 3.48Å; N156-K1609 PolarHBondContact O-NZ 3.28Å; P157-K1609 VanDerWaalsContact O-CE 3.29Å; P157-K1609 WeakPolarHBondContact O-CE 3.37Å; P157-K1609 PolarHBondContact O-NZ 2.93Å; V158-K1609 HydrophobicContact CG2-CG 4.32Å; E162-K1609 IonicContact OE1-NZ 3.69Å; E162-K1609 PolarHBondContact OE1-NZ 3.09Å; E162-K1609 IonicContact OE2-NZ 3.87Å; E162-K1609 PolarHBondContact OE2-NZ 3.47Å; E1605-K1609 PolarHBondContact O-N 2.96Å; L1606-K1609 PolarHBondContact O-N 2.73Å; K1609-L1613 WeakPolarHBondContact O-CB 3.39Å; K1609-L1613 PolarHBondContact O-N 3.03Å; K1609-V1632 HydrophobicContact CB-CG1 3.96Å; K1609-V1632 HydrophobicContact CB-CG2 4.11Å; K1609-V1632 HydrophobicContact CD-CG2 4.37Å; K1609-V1632 HydrophobicContact CG-CG2 4.47Å
1610	W	90.5	Very high	86.4	Confident	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-45.2	179.1	171.9	-128.4	0	0	0	112.1	F1151 V1154 L1155 L1606 R1607 Q1608 L1613 L1614 L1633 L1636	F1151-W1610 HydrophobicContact CD1-CZ2 4.34Å; V1154-W1610 HydrophobicContact CB-CH2 4Å; V1154-W1610 HydrophobicContact CG1-CH2 3.57Å; V1154-W1610 HydrophobicContact CG1-CZ3 3.66Å; L1155-W1610 HydrophobicContact CD1-CZ2 4.4Å; L1155-W1610 HydrophobicContact CD2-CH2 3.43Å; L1155-W1610 VanDerWaalsContact CD2-CH2 3.43Å; L1155-W1610 HydrophobicContact CD2-CZ2 3.6Å; L1155-W1610 HydrophobicContact CD2-CZ3 4.23Å; L1155-W1610 HydrophobicContact CG-CH2 3.68Å; L1155-W1610 HydrophobicContact CG-CZ2 3.8Å; L1606-W1610 WeakPolarHBondContact O-CB 3.37Å; L1606-W1610 PolarHBondContact O-N 2.88Å; R1607-W1610 PolarHBondContact O-N 3.38Å; Q1608-W1610 PolarHBondContact O-N 3.3Å; W1610-L1613 HydrophobicContact CE3-CD2 3.96Å; W1610-L1613 HydrophobicContact CE3-CG 4.43Å; W1610-L1613 HydrophobicContact CZ3-CD2 3.93Å; W1610-L1613 HydrophobicContact CZ3-CG 4.41Å; W1610-L1613 WeakPolarHBondContact O-CB 3.32Å; W1610-L1613 PolarHBondContact O-N 3.48Å; W1610-L1614 WeakPolarHBondContact O-CB 3.29Å; W1610-L1614 PolarHBondContact O-N 3.29Å; W1610-L1633 HydrophobicContact CZ3-CD1 4.17Å; W1610-L1636 HydrophobicContact CB-CD2 4.49Å; W1610-L1636 HydrophobicContact CD2-CD2 3.34Å; W1610-L1636 HydrophobicContact CE3-CD2 3.37Å; W1610-L1636 HydrophobicContact CG-CD2 3.83Å; W1610-L1636 HydrophobicContact CH2-CD2 4.12Å; W1610-L1636 HydrophobicContact CZ2-CD2 4.09Å; W1610-L1636 HydrophobicContact CZ3-CD2 3.77Å
1611	H	89.9	Confident	86.2	Confident	3 Å²	3	22 Å²	22	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-71.4	-37	-178.8	-72.9	-163.7	0	0	0	112.6	L166 I1385 R1607 Q1608 L1614 L1615	L166-H1611 HydrophobicContact CD2-CB 3.48Å; L166-H1611 VanDerWaalsContact CD2-CB 3.48Å; I1385-H1611 WeakPolarHBondContact CA-ND1 3.43Å; I1385-H1611 HydrophobicContact CG2-CB 3.77Å; I1385-H1611 PolarHBondContact O-ND1 3.16Å; R1607-H1611 PolarHBondContact NH1-CE1 2.83Å; R1607-H1611 PolarHBondContact NH1-ND1 3.16Å; R1607-H1611 PolarHBondContact NH2-CE1 2.93Å; R1607-H1611 WeakPolarHBondContact O-CB 3.35Å; R1607-H1611 VanDerWaalsContact O-CG 3.31Å; R1607-H1611 PolarHBondContact O-N 3.06Å; Q1608-H1611 PolarHBondContact O-N 3.5Å; H1611-L1614 PolarHBondContact O-N 3.04Å; H1611-L1615 WeakPolarHBondContact O-CG 3.4Å; H1611-L1615 PolarHBondContact O-N 3.23Å
1612	A	87.1	Confident	85.5	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-42.9	172.1	0	0	0	0	0	111.2	E162 Q1608 L1615 R1616	E162-A1612 HydrophobicContact CB-CB 3.95Å; E162-A1612 HydrophobicContact CG-CB 3.9Å; Q1608-A1612 WeakPolarHBondContact O-CB 3.41Å; Q1608-A1612 PolarHBondContact O-N 3.48Å; A1612-L1615 PolarHBondContact O-N 2.68Å; A1612-R1616 WeakPolarHBondContact O-CB 3.49Å; A1612-R1616 VanDerWaalsContact O-CG 3.25Å; A1612-R1616 WeakPolarHBondContact O-CG 3.33Å; A1612-R1616 PolarHBondContact O-N 3.43Å
1613	L	89.8	Confident	84.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-56.6	-51.4	171	167.5	57.5	0	0	0	111.7	V1154 K1609 W1610 L1615 R1616 R1617 D1629 V1632 L1633	V1154-L1613 HydrophobicContact CG1-CG 4.32Å; K1609-L1613 WeakPolarHBondContact O-CB 3.39Å; K1609-L1613 PolarHBondContact O-N 3.03Å; W1610-L1613 HydrophobicContact CE3-CD2 3.96Å; W1610-L1613 HydrophobicContact CE3-CG 4.43Å; W1610-L1613 HydrophobicContact CZ3-CD2 3.93Å; W1610-L1613 HydrophobicContact CZ3-CG 4.41Å; W1610-L1613 WeakPolarHBondContact O-CB 3.32Å; W1610-L1613 PolarHBondContact O-N 3.48Å; L1613-L1615 PolarHBondContact O-N 3.05Å; L1613-R1616 PolarHBondContact O-N 3.1Å; L1613-R1617 HydrophobicContact CD1-CG 3.77Å; L1613-R1617 HydrophobicContact CG-CG 4.49Å; L1613-R1617 VanDerWaalsContact O-CG 3.31Å; L1613-R1617 WeakPolarHBondContact O-CG 3.37Å; L1613-R1617 PolarHBondContact O-N 3.14Å; L1613-D1629 HydrophobicContact CD1-CB 3.56Å; L1613-D1629 WeakPolarHBondContact CD1-OD1 3.5Å; L1613-V1632 HydrophobicContact CD2-CB 4.2Å; L1613-V1632 HydrophobicContact CD2-CG1 3.99Å; L1613-L1633 HydrophobicContact CD2-CB 4.41Å
1614	L	89.7	Confident	84.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.1	-48.2	178.8	176.3	61.5	0	0	0	111.9	F1151 V1154 I1385 W1610 H1611 R1616 R1617 L1618	F1151-L1614 HydrophobicContact CD1-CD2 4.23Å; F1151-L1614 HydrophobicContact CD2-CD2 4.32Å; F1151-L1614 HydrophobicContact CE1-CD2 3.58Å; F1151-L1614 HydrophobicContact CE2-CD2 3.69Å; F1151-L1614 HydrophobicContact CZ-CD2 3.28Å; V1154-L1614 HydrophobicContact CB-CD1 4.33Å; V1154-L1614 HydrophobicContact CG2-CD1 3.83Å; I1385-L1614 HydrophobicContact CD1-CD2 3.67Å; I1385-L1614 HydrophobicContact CD1-CG 4.44Å; I1385-L1614 HydrophobicContact CG1-CD2 4.11Å; I1385-L1614 HydrophobicContact CG2-CD2 4.27Å; W1610-L1614 WeakPolarHBondContact O-CB 3.29Å; W1610-L1614 PolarHBondContact O-N 3.29Å; H1611-L1614 PolarHBondContact O-N 3.04Å; L1614-R1616 PolarHBondContact O-N 3.24Å; L1614-R1617 PolarHBondContact O-N 3.08Å; L1614-L1618 HydrophobicContact CD1-CD1 4.05Å; L1614-L1618 HydrophobicContact CD1-CG 4.17Å; L1614-L1618 HydrophobicContact CG-CD1 4.02Å; L1614-L1618 WeakPolarHBondContact O-CG 3.26Å; L1614-L1618 PolarHBondContact O-N 3.19Å
1615	L	86	Confident	83.8	Confident	20 Å²	20	33.5 Å²	33.5	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-40.4	176.6	-70.3	174.9	0	0	0	112.2	E165 L166 I1385 H1611 A1612 L1613 R1617 L1618 K1619	E165-L1615 WeakPolarHBondContact O-CD1 3.38Å; L166-L1615 HydrophobicContact CD2-CD1 3.94Å; I1385-L1615 HydrophobicContact CG2-CD1 4.07Å; I1385-L1615 HydrophobicContact CG2-CD2 3.99Å; I1385-L1615 HydrophobicContact CG2-CG 3.79Å; H1611-L1615 WeakPolarHBondContact O-CG 3.4Å; H1611-L1615 PolarHBondContact O-N 3.23Å; A1612-L1615 PolarHBondContact O-N 2.68Å; L1613-L1615 PolarHBondContact O-N 3.05Å; L1615-R1617 VanDerWaalsContact C-N 3.31Å; L1615-R1617 PolarHBondContact O-N 3.38Å; L1615-L1618 PolarHBondContact O-N 2.94Å; L1615-K1619 WeakPolarHBondContact O-CB 3.47Å; L1615-K1619 WeakPolarHBondContact O-CG 3.44Å; L1615-K1619 PolarHBondContact O-N 3.29Å
1616	R	86.3	Confident	83.7	Confident	68 Å²	68	32.7 Å²	32.7	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-61.9	-37.2	174.3	-71.1	-173.5	-52.9	-112.5	12.2	112.2	E162 A1612 L1613 L1614 N1620 D1629	E162-R1616 IonicContact OE1-CZ 3.62Å; E162-R1616 IonicContact OE1-NH1 3.99Å; E162-R1616 PolarHBondContact OE1-NH1 3.11Å; E162-R1616 IonicContact OE1-NH2 2.65Å; A1612-R1616 WeakPolarHBondContact O-CB 3.49Å; A1612-R1616 VanDerWaalsContact O-CG 3.25Å; A1612-R1616 WeakPolarHBondContact O-CG 3.33Å; A1612-R1616 PolarHBondContact O-N 3.43Å; L1613-R1616 PolarHBondContact O-N 3.1Å; L1614-R1616 PolarHBondContact O-N 3.24Å; R1616-N1620 PolarHBondContact O-N 3.06Å; R1616-N1620 VanDerWaalsContact O-N 3.1Å; R1616-D1629 IonicContact CZ-OD1 3.2Å; R1616-D1629 IonicContact NE-OD1 2.74Å; R1616-D1629 PolarHBondContact NE-OD1 3Å; R1616-D1629 IonicContact NH2-OD1 2.77Å; R1616-D1629 PolarHBondContact NH2-OD1 2.96Å
1617	R	85.7	Confident	83.4	Confident	27 Å²	27	41.4 Å²	41.4	10%	0.102	21%	0.209	C	C	.	.	H	α-helix	trans	-73.4	-40.9	176.4	-66.7	-66.4	-56.4	139.4	8.2	112.6	V1154 L1613 L1614 L1615 N1620 P1621 K1623	V1154-R1617 HydrophobicContact CG1-CB 4.44Å; V1154-R1617 HydrophobicContact CG1-CG 3.98Å; V1154-R1617 HydrophobicContact CG2-CB 3.67Å; V1154-R1617 HydrophobicContact CG2-CG 4.07Å; L1613-R1617 HydrophobicContact CD1-CG 3.77Å; L1613-R1617 HydrophobicContact CG-CG 4.49Å; L1613-R1617 VanDerWaalsContact O-CG 3.31Å; L1613-R1617 WeakPolarHBondContact O-CG 3.37Å; L1613-R1617 PolarHBondContact O-N 3.14Å; L1614-R1617 PolarHBondContact O-N 3.08Å; L1615-R1617 VanDerWaalsContact C-N 3.31Å; L1615-R1617 PolarHBondContact O-N 3.38Å; R1617-N1620 CarbonylContact O-C 3.58Å; R1617-N1620 PolarHBondContact O-N 2.93Å; R1617-P1621 PolarHBondContact NH1-O 3.31Å; R1617-P1621 PolarHBondContact NH2-O 3.17Å; R1617-P1621 WeakPolarHBondContact O-CA 3.39Å; R1617-P1621 VanDerWaalsContact O-N 3.1Å; R1617-K1623 PolarHBondContact NH1-O 3.45Å
1618	L	85.1	Confident	83.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-42.6	173.4	-71.4	171.1	0	0	0	111.2	L1132 H1135 L1150 F1253 L1614 L1615 N1620	L1132-L1618 HydrophobicContact CB-CD1 4.23Å; L1132-L1618 HydrophobicContact CD1-CD1 4.14Å; L1132-L1618 HydrophobicContact CD1-CD2 4.5Å; H1135-L1618 PolarHBondContact NE2-O 3.14Å; L1150-L1618 HydrophobicContact CB-CD2 4.42Å; F1253-L1618 HydrophobicContact CE1-CD2 4.24Å; F1253-L1618 HydrophobicContact CZ-CD2 4.23Å; L1614-L1618 HydrophobicContact CD1-CD1 4.05Å; L1614-L1618 HydrophobicContact CD1-CG 4.17Å; L1614-L1618 HydrophobicContact CG-CD1 4.02Å; L1614-L1618 WeakPolarHBondContact O-CG 3.26Å; L1614-L1618 PolarHBondContact O-N 3.19Å; L1615-L1618 PolarHBondContact O-N 2.94Å; L1618-N1620 PolarHBondContact O-N 3.36Å
1619	K	81.1	Confident	83.4	Confident	62 Å²	62	46.7 Å²	46.7	27%	0.27	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-45.4	173.3	-76.1	-165.9	175.6	-165	0	111.3	D177 R184 E1131 L1615	D177-K1619 IonicContact OD1-NZ 3.17Å; D177-K1619 PolarHBondContact OD1-NZ 3.03Å; D177-K1619 IonicContact OD2-NZ 3.7Å; R184-K1619 VanDerWaalsContact CD-O 3.27Å; R184-K1619 WeakPolarHBondContact CD-O 3.49Å; R184-K1619 PolarHBondContact NE-O 2.91Å; R184-K1619 VanDerWaalsContact NE-O 3.14Å; R184-K1619 PolarHBondContact NH1-O 3.14Å; E1131-K1619 HydrophobicContact CG-CG 3.89Å; L1615-K1619 WeakPolarHBondContact O-CB 3.47Å; L1615-K1619 WeakPolarHBondContact O-CG 3.44Å; L1615-K1619 PolarHBondContact O-N 3.29Å
1620	N	79.3	Confident	83.4	Confident	70 Å²	70	48.5 Å²	48.5	37%	0.374	24%	0.243	S	C	.	.			trans	-130.1	76.8	-176.2	-63	-72.5	0	0	0	113.8	R1616 R1617 L1618 G1622 K1623	R1616-N1620 PolarHBondContact O-N 3.06Å; R1616-N1620 VanDerWaalsContact O-N 3.1Å; R1617-N1620 CarbonylContact O-C 3.58Å; R1617-N1620 PolarHBondContact O-N 2.93Å; L1618-N1620 PolarHBondContact O-N 3.36Å; N1620-G1622 VanDerWaalsContact C-N 3.31Å; N1620-G1622 PolarHBondContact O-N 2.97Å; N1620-K1623 HydrophobicContact CB-CB 3.88Å; N1620-K1623 WeakPolarHBondContact O-CB 3.45Å; N1620-K1623 PolarHBondContact O-N 3.46Å
1621	P	76	Confident	83.4	Confident	15 Å²	15	50.1 Å²	50.1	10%	0.097	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-43.1	-176	-28.8	37.1	0	0	0	113.7	F1253 R1617 K1623	F1253-P1621 HydrophobicContact CD1-CB 3.64Å; F1253-P1621 HydrophobicContact CD1-CG 3.96Å; F1253-P1621 HydrophobicContact CE1-CB 3.79Å; F1253-P1621 HydrophobicContact CE1-CG 3.56Å; F1253-P1621 HydrophobicContact CE2-CG 4.26Å; F1253-P1621 HydrophobicContact CG-CB 4.07Å; F1253-P1621 HydrophobicContact CG-CG 4.46Å; F1253-P1621 HydrophobicContact CZ-CB 4.32Å; F1253-P1621 HydrophobicContact CZ-CG 3.72Å; R1617-P1621 PolarHBondContact NH1-O 3.31Å; R1617-P1621 PolarHBondContact NH2-O 3.17Å; R1617-P1621 WeakPolarHBondContact O-CA 3.39Å; R1617-P1621 VanDerWaalsContact O-N 3.1Å; P1621-K1623 VanDerWaalsContact C-N 3.31Å; P1621-K1623 PolarHBondContact O-N 3.41Å
1622	G	67.9	Low	83.6	Confident	38 Å²	38	50.1 Å²	50.1	39%	0.392	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.7	-179.7	0	0	0	0	0	115.4	K1255 N1620	K1255-G1622 WeakPolarHBondContact CE-O 3.25Å; K1255-G1622 PolarHBondContact NZ-O 3.36Å; N1620-G1622 VanDerWaalsContact C-N 3.31Å; N1620-G1622 PolarHBondContact O-N 2.97Å
1623	K	74.1	Confident	83.9	Confident	146 Å²	146	50.3 Å²	50.3	64%	0.635	26%	0.258	S	S	*	.	S	Bend	trans	-64.7	155.8	175.9	-164.3	175.9	179.1	-178.5	0	110	R1617 N1620 P1621	R1617-K1623 PolarHBondContact NH1-O 3.45Å; N1620-K1623 HydrophobicContact CB-CB 3.88Å; N1620-K1623 WeakPolarHBondContact O-CB 3.45Å; N1620-K1623 PolarHBondContact O-N 3.46Å; P1621-K1623 VanDerWaalsContact C-N 3.31Å; P1621-K1623 PolarHBondContact O-N 3.41Å
1624	H	73.5	Confident	84.1	Confident	115 Å²	115	56.2 Å²	56.2	53%	0.532	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-80.3	149	171.9	-69.9	-106.2	0	0	0	110.3	K1255 S1259	K1255-H1624 PolarHBondContact NZ-NE2 2.82Å; K1255-H1624 VanDerWaalsContact NZ-NE2 3.12Å; S1259-H1624 PolarHBondContact OG-CE1 2.93Å; S1259-H1624 VanDerWaalsContact OG-CE1 3.29Å; S1259-H1624 PolarHBondContact OG-ND1 2.82Å
1625	C	75.4	Confident	84.3	Confident	38 Å²	38	56.6 Å²	56.6	26%	0.257	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68	130.3	171.8	-146.6	0	0	0	0	108.7	D1629 E1630	C1625-D1629 WeakPolarHBondContact SG-CB 3.49Å; C1625-E1630 HydrophobicContact CB-CG 4.06Å; C1625-E1630 VanDerWaalsContact CB-OE1 3.29Å; C1625-E1630 WeakPolarHBondContact CB-OE1 3.28Å; C1625-E1630 PolarHBondContact SG-OE1 3.01Å
1626	S	84.8	Confident	84.8	Confident	48 Å²	48	55.6 Å²	55.6	34%	0.336	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-78.7	166.7	173.3	73	0	0	0	0	111.4	Q1628 D1629 E1630	S1626-Q1628 PolarHBondContact O-N 2.95Å; S1626-Q1628 PolarHBondContact OG-N 3.17Å; S1626-D1629 VanDerWaalsContact CB-OD2 3.23Å; S1626-D1629 WeakPolarHBondContact CB-OD2 3.48Å; S1626-D1629 PolarHBondContact N-OD2 3.42Å; S1626-D1629 PolarHBondContact O-N 3.36Å; S1626-D1629 PolarHBondContact OG-N 3.44Å; S1626-D1629 VanDerWaalsContact OG-N 3.12Å; S1626-D1629 PolarHBondContact OG-OD2 3.36Å; S1626-E1630 PolarHBondContact O-N 2.76Å
1627	Q	84.8	Confident	85.2	Confident	183 Å²	183	53.2 Å²	53.2	86%	0.855	27%	0.273	S	S	*	.	H	α-helix	trans	-61.2	-30.4	174.5	-67.9	-179.5	-9.9	0	0	112.3	A1631	Q1627-A1631 WeakPolarHBondContact O-CB 3.27Å; Q1627-A1631 PolarHBondContact O-N 3.46Å; Q1627-A1631 VanDerWaalsContact O-N 3.07Å
1628	Q	85.9	Confident	85.6	Confident	118 Å²	118	55.6 Å²	55.6	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-73.3	-41.6	175.2	-59.4	-178	-66.3	0	0	111.4	N156 S1626 A1631 V1632	N156-Q1628 WeakPolarHBondContact OD1-CG 3.44Å; N156-Q1628 PolarHBondContact OD1-NE2 2.87Å; S1626-Q1628 PolarHBondContact O-N 2.95Å; S1626-Q1628 PolarHBondContact OG-N 3.17Å; Q1628-A1631 WeakPolarHBondContact O-CB 3.49Å; Q1628-A1631 PolarHBondContact O-N 3.26Å; Q1628-V1632 WeakPolarHBondContact O-CG2 3.35Å; Q1628-V1632 PolarHBondContact O-N 3.28Å
1629	D	88.7	Confident	86.1	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-43.7	175.4	-61.6	-46.8	0	0	0	111.3	L1613 R1616 C1625 S1626 A1631 V1632 L1633	L1613-D1629 HydrophobicContact CD1-CB 3.56Å; L1613-D1629 WeakPolarHBondContact CD1-OD1 3.5Å; R1616-D1629 IonicContact CZ-OD1 3.2Å; R1616-D1629 IonicContact NE-OD1 2.74Å; R1616-D1629 PolarHBondContact NE-OD1 3Å; R1616-D1629 IonicContact NH2-OD1 2.77Å; R1616-D1629 PolarHBondContact NH2-OD1 2.96Å; C1625-D1629 WeakPolarHBondContact SG-CB 3.49Å; S1626-D1629 VanDerWaalsContact CB-OD2 3.23Å; S1626-D1629 WeakPolarHBondContact CB-OD2 3.48Å; S1626-D1629 PolarHBondContact N-OD2 3.42Å; S1626-D1629 PolarHBondContact O-N 3.36Å; S1626-D1629 PolarHBondContact OG-N 3.44Å; S1626-D1629 VanDerWaalsContact OG-N 3.12Å; S1626-D1629 PolarHBondContact OG-OD2 3.36Å; D1629-A1631 VanDerWaalsContact C-N 3.32Å; D1629-A1631 PolarHBondContact O-N 3.11Å; D1629-V1632 PolarHBondContact O-N 2.96Å; D1629-L1633 WeakPolarHBondContact O-CB 3.23Å; D1629-L1633 PolarHBondContact O-N 3.02Å
1630	E	89.1	Confident	86.7	Confident	47 Å²	47	52.6 Å²	52.6	22%	0.22	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-31.7	173.5	-70.5	-72.2	144.6	0	0	112.7	K1156 C1625 S1626 K1634	K1156-E1630 WeakPolarHBondContact CE-OE1 3.44Å; K1156-E1630 IonicContact NZ-OE1 2.79Å; K1156-E1630 PolarHBondContact NZ-OE1 3.19Å; K1156-E1630 IonicContact NZ-OE2 3.23Å; K1156-E1630 PolarHBondContact NZ-OE2 3.16Å; C1625-E1630 HydrophobicContact CB-CG 4.06Å; C1625-E1630 VanDerWaalsContact CB-OE1 3.29Å; C1625-E1630 WeakPolarHBondContact CB-OE1 3.28Å; C1625-E1630 PolarHBondContact SG-OE1 3.01Å; S1626-E1630 PolarHBondContact O-N 2.76Å; E1630-K1634 WeakPolarHBondContact O-CB 3.39Å; E1630-K1634 WeakPolarHBondContact O-CD 3.47Å; E1630-K1634 WeakPolarHBondContact O-CG 3.49Å; E1630-K1634 PolarHBondContact O-N 3.21Å
1631	A	92.2	Very high	87.3	Confident	34 Å²	34	50 Å²	50	28%	0.281	26%	0.261	S	S	.	.	H	α-helix	trans	-70	-43.9	175.7	0	0	0	0	0	112.1	L152 Q1627 Q1628 D1629 K1634 C1635	L152-A1631 HydrophobicContact CD1-CB 4.17Å; Q1627-A1631 WeakPolarHBondContact O-CB 3.27Å; Q1627-A1631 PolarHBondContact O-N 3.46Å; Q1627-A1631 VanDerWaalsContact O-N 3.07Å; Q1628-A1631 WeakPolarHBondContact O-CB 3.49Å; Q1628-A1631 PolarHBondContact O-N 3.26Å; D1629-A1631 VanDerWaalsContact C-N 3.32Å; D1629-A1631 PolarHBondContact O-N 3.11Å; A1631-K1634 PolarHBondContact O-N 3.05Å; A1631-C1635 WeakPolarHBondContact O-CB 3.37Å; A1631-C1635 PolarHBondContact O-N 3.17Å
1632	V	93.2	Very high	88.1	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-47.9	173	172.5	0	0	0	0	110.3	L152 K1609 L1613 Q1628 D1629 K1634 C1635 L1636	L152-V1632 HydrophobicContact CD1-CG2 4.09Å; L152-V1632 HydrophobicContact CD2-CG2 4.28Å; K1609-V1632 HydrophobicContact CB-CG1 3.96Å; K1609-V1632 HydrophobicContact CB-CG2 4.11Å; K1609-V1632 HydrophobicContact CD-CG2 4.37Å; K1609-V1632 HydrophobicContact CG-CG2 4.47Å; L1613-V1632 HydrophobicContact CD2-CB 4.2Å; L1613-V1632 HydrophobicContact CD2-CG1 3.99Å; Q1628-V1632 WeakPolarHBondContact O-CG2 3.35Å; Q1628-V1632 PolarHBondContact O-N 3.28Å; D1629-V1632 PolarHBondContact O-N 2.96Å; V1632-K1634 PolarHBondContact O-N 3.31Å; V1632-C1635 PolarHBondContact O-N 3.42Å; V1632-L1636 WeakPolarHBondContact O-CB 3.48Å; V1632-L1636 PolarHBondContact O-N 3.03Å
1633	L	92.9	Very high	89.3	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-44.1	178.8	179.2	59.2	0	0	0	112.1	L1155 K1156 W1610 L1613 D1629 L1636 I1637	L1155-L1633 HydrophobicContact CD2-CD1 4.34Å; K1156-L1633 HydrophobicContact CD-CD2 4.15Å; K1156-L1633 HydrophobicContact CG-CD2 4.32Å; W1610-L1633 HydrophobicContact CZ3-CD1 4.17Å; L1613-L1633 HydrophobicContact CD2-CB 4.41Å; D1629-L1633 WeakPolarHBondContact O-CB 3.23Å; D1629-L1633 PolarHBondContact O-N 3.02Å; L1633-L1636 PolarHBondContact O-N 3.48Å; L1633-I1637 HydrophobicContact CD1-CD1 3.85Å; L1633-I1637 HydrophobicContact CD1-CG1 4.23Å; L1633-I1637 HydrophobicContact CG-CD1 3.77Å; L1633-I1637 VanDerWaalsContact O-CD1 3.32Å; L1633-I1637 WeakPolarHBondContact O-CD1 3.47Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.29Å; L1633-I1637 PolarHBondContact O-N 3.22Å
1634	K	93.9	Very high	90	Very high	125 Å²	125	42.9 Å²	42.9	54%	0.543	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-43	177.3	-76.2	169.7	-176.4	178.3	0	113.1	E1630 A1631 V1632 I1637 N1638	E1630-K1634 WeakPolarHBondContact O-CB 3.39Å; E1630-K1634 WeakPolarHBondContact O-CD 3.47Å; E1630-K1634 WeakPolarHBondContact O-CG 3.49Å; E1630-K1634 PolarHBondContact O-N 3.21Å; A1631-K1634 PolarHBondContact O-N 3.05Å; V1632-K1634 PolarHBondContact O-N 3.31Å; K1634-I1637 PolarHBondContact O-N 3.45Å; K1634-N1638 WeakPolarHBondContact O-CB 3.48Å; K1634-N1638 PolarHBondContact O-N 3.27Å; K1634-N1638 PolarHBondContact O-OD1 3.27Å
1635	C	95.6	Very high	90.7	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.054	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-47.8	175.6	-179.2	0	0	0	0	110.9	S148 L152 A1631 V1632 I1637 N1638 V1639	S148-C1635 VanDerWaalsContact C-SG 3.59Å; S148-C1635 PolarHBondContact O-SG 3.11Å; L152-C1635 HydrophobicContact CB-CB 4.16Å; L152-C1635 HydrophobicContact CD1-CB 4.37Å; L152-C1635 HydrophobicContact CD2-CB 3.8Å; L152-C1635 HydrophobicContact CG-CB 4.32Å; A1631-C1635 WeakPolarHBondContact O-CB 3.37Å; A1631-C1635 PolarHBondContact O-N 3.17Å; V1632-C1635 PolarHBondContact O-N 3.42Å; C1635-I1637 PolarHBondContact O-N 3.06Å; C1635-N1638 PolarHBondContact O-N 3.04Å; C1635-V1639 WeakPolarHBondContact O-CG2 3.22Å; C1635-V1639 PolarHBondContact O-N 3.35Å
1636	L	95	Very high	91.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-46	176.3	175.4	64	0	0	0	112.7	L1155 L1380 M1381 W1610 V1632 L1633 V1639 L1640	L1155-L1636 HydrophobicContact CD2-CD2 3.96Å; L1380-L1636 HydrophobicContact CD1-CD1 3.83Å; M1381-L1636 HydrophobicContact CE-CD1 3.85Å; M1381-L1636 HydrophobicContact CE-CD2 4.02Å; M1381-L1636 HydrophobicContact CE-CG 4.41Å; W1610-L1636 HydrophobicContact CB-CD2 4.49Å; W1610-L1636 HydrophobicContact CD2-CD2 3.34Å; W1610-L1636 HydrophobicContact CE3-CD2 3.37Å; W1610-L1636 HydrophobicContact CG-CD2 3.83Å; W1610-L1636 HydrophobicContact CH2-CD2 4.12Å; W1610-L1636 HydrophobicContact CZ2-CD2 4.09Å; W1610-L1636 HydrophobicContact CZ3-CD2 3.77Å; V1632-L1636 WeakPolarHBondContact O-CB 3.48Å; V1632-L1636 PolarHBondContact O-N 3.03Å; L1633-L1636 PolarHBondContact O-N 3.48Å; L1636-V1639 PolarHBondContact O-N 1.85Å; L1636-L1640 HydrophobicContact CD1-CD1 4.01Å; L1636-L1640 HydrophobicContact CD1-CG 4.22Å; L1636-L1640 HydrophobicContact CG-CD1 3.99Å; L1636-L1640 WeakPolarHBondContact O-CB 3.49Å; L1636-L1640 VanDerWaalsContact O-CG 3.32Å; L1636-L1640 WeakPolarHBondContact O-CG 3.37Å; L1636-L1640 PolarHBondContact O-N 2.81Å
1637	I	94.5	Very high	91.3	Very high	18 Å²	18	45.4 Å²	45.4	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-44.7	177.6	-67.1	159.5	0	0	0	110.7	N1268 V1274 L1633 K1634 C1635 V1639 L1640 T1641	N1268-I1637 WeakPolarHBondContact ND2-CD1 3.25Å; V1274-I1637 HydrophobicContact CG2-CB 4.26Å; V1274-I1637 HydrophobicContact CG2-CG1 3.85Å; V1274-I1637 HydrophobicContact CG2-CG2 3.89Å; L1633-I1637 HydrophobicContact CD1-CD1 3.85Å; L1633-I1637 HydrophobicContact CD1-CG1 4.23Å; L1633-I1637 HydrophobicContact CG-CD1 3.77Å; L1633-I1637 VanDerWaalsContact O-CD1 3.32Å; L1633-I1637 WeakPolarHBondContact O-CD1 3.47Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.29Å; L1633-I1637 PolarHBondContact O-N 3.22Å; K1634-I1637 PolarHBondContact O-N 3.45Å; C1635-I1637 PolarHBondContact O-N 3.06Å; I1637-V1639 PolarHBondContact O-N 3.44Å; I1637-L1640 PolarHBondContact O-N 3.47Å; I1637-T1641 VanDerWaalsContact O-CB 3.27Å; I1637-T1641 WeakPolarHBondContact O-CB 3.42Å; I1637-T1641 PolarHBondContact O-N 2.79Å; I1637-T1641 PolarHBondContact O-OG1 3.41Å
1638	N	94.5	Very high	91.2	Very high	77 Å²	77	39.5 Å²	39.5	41%	0.412	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-48.9	177	-75.2	0.8	0	0	0	111.1	K1634 C1635 T1641 N1642	K1634-N1638 WeakPolarHBondContact O-CB 3.48Å; K1634-N1638 PolarHBondContact O-N 3.27Å; K1634-N1638 PolarHBondContact O-OD1 3.27Å; C1635-N1638 PolarHBondContact O-N 3.04Å; N1638-T1641 PolarHBondContact O-N 3.48Å; N1638-N1642 VanDerWaalsContact O-CB 3.27Å; N1638-N1642 WeakPolarHBondContact O-CB 3.49Å; N1638-N1642 PolarHBondContact O-N 3.35Å; N1638-N1642 PolarHBondContact O-ND2 3.25Å
1639	V	95.2	Very high	91.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-53.6	178.8	173.4	0	0	0	0	110.9	I149 I1376 L1380 L1606 C1635 L1636 I1637 T1641 N1642 E1643	I149-V1639 HydrophobicContact CD1-CG2 3.84Å; I149-V1639 HydrophobicContact CG1-CG2 3.79Å; I1376-V1639 HydrophobicContact CG1-CG1 4.01Å; L1380-V1639 HydrophobicContact CD1-CG1 4.13Å; L1606-V1639 HydrophobicContact CD2-CG2 4.23Å; C1635-V1639 WeakPolarHBondContact O-CG2 3.22Å; C1635-V1639 PolarHBondContact O-N 3.35Å; L1636-V1639 PolarHBondContact O-N 1.85Å; I1637-V1639 PolarHBondContact O-N 3.44Å; V1639-T1641 VanDerWaalsContact C-N 3.26Å; V1639-T1641 PolarHBondContact O-N 3.19Å; V1639-N1642 PolarHBondContact O-N 2.77Å; V1639-E1643 HydrophobicContact CG1-CG 4.3Å; V1639-E1643 WeakPolarHBondContact O-CG 3.49Å; V1639-E1643 PolarHBondContact O-N 2.88Å
1640	L	94.2	Very high	90.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.1	-42.9	177.9	-71.5	168.2	0	0	0	112	A1273 A1277 T1377 M1381 L1636 I1637 E1644	A1273-L1640 HydrophobicContact CB-CB 4.22Å; A1277-L1640 HydrophobicContact CB-CD1 3.74Å; A1277-L1640 HydrophobicContact CB-CD2 4.21Å; T1377-L1640 HydrophobicContact CG2-CD2 4.14Å; M1381-L1640 HydrophobicContact CE-CD1 4.47Å; L1636-L1640 HydrophobicContact CD1-CD1 4.01Å; L1636-L1640 HydrophobicContact CD1-CG 4.22Å; L1636-L1640 HydrophobicContact CG-CD1 3.99Å; L1636-L1640 WeakPolarHBondContact O-CB 3.49Å; L1636-L1640 VanDerWaalsContact O-CG 3.32Å; L1636-L1640 WeakPolarHBondContact O-CG 3.37Å; L1636-L1640 PolarHBondContact O-N 2.81Å; I1637-L1640 PolarHBondContact O-N 3.47Å; L1640-E1644 WeakPolarHBondContact O-CG 3.32Å; L1640-E1644 PolarHBondContact O-N 3.45Å
1641	T	92.9	Very high	89.9	Confident	15 Å²	15	38 Å²	38	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-70.8	-40	-178.2	-52.1	0	0	0	0	112.4	N1271 I1637 N1638 V1639 K1645	N1271-T1641 PolarHBondContact ND2-OG1 2.89Å; I1637-T1641 VanDerWaalsContact O-CB 3.27Å; I1637-T1641 WeakPolarHBondContact O-CB 3.42Å; I1637-T1641 PolarHBondContact O-N 2.79Å; I1637-T1641 PolarHBondContact O-OG1 3.41Å; N1638-T1641 PolarHBondContact O-N 3.48Å; V1639-T1641 VanDerWaalsContact C-N 3.26Å; V1639-T1641 PolarHBondContact O-N 3.19Å; T1641-K1645 HydrophobicContact CG2-CD 4.25Å; T1641-K1645 WeakPolarHBondContact O-CB 3.48Å; T1641-K1645 WeakPolarHBondContact O-CD 3.49Å; T1641-K1645 VanDerWaalsContact O-CG 3.23Å; T1641-K1645 WeakPolarHBondContact O-CG 3.38Å; T1641-K1645 PolarHBondContact O-N 2.96Å; T1641-K1645 VanDerWaalsContact O-N 3.15Å
1642	N	92.6	Very high	89	Confident	33 Å²	33	36.9 Å²	36.9	18%	0.176	21%	0.207	C	C	.	.	H	α-helix	trans	-76.4	-40.4	-175.1	-69.7	-10.1	0	0	0	111.7	D144 N1638 V1639 K1645 A1646	D144-N1642 WeakPolarHBondContact CB-ND2 3.41Å; N1638-N1642 VanDerWaalsContact O-CB 3.27Å; N1638-N1642 WeakPolarHBondContact O-CB 3.49Å; N1638-N1642 PolarHBondContact O-N 3.35Å; N1638-N1642 PolarHBondContact O-ND2 3.25Å; V1639-N1642 PolarHBondContact O-N 2.77Å; N1642-K1645 PolarHBondContact O-N 3.36Å; N1642-A1646 WeakPolarHBondContact O-CB 3.25Å; N1642-A1646 PolarHBondContact O-N 2.96Å
1643	E	92.4	Very high	87.8	Confident	17 Å²	17	46.1 Å²	46.1	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-36.8	175.8	-57.7	-51.9	125.5	0	0	112.1	T142 S145 I1376 V1639 A1646 L1647	T142-E1643 VanDerWaalsContact CB-OE1 3.26Å; T142-E1643 WeakPolarHBondContact CB-OE1 3.44Å; T142-E1643 VanDerWaalsContact CG2-OE1 3.3Å; T142-E1643 WeakPolarHBondContact CG2-OE1 3.29Å; T142-E1643 PolarHBondContact N-OE1 3.3Å; T142-E1643 PolarHBondContact N-OE2 3.04Å; T142-E1643 PolarHBondContact OG1-OE1 3.44Å; S145-E1643 WeakPolarHBondContact CB-OE1 3.47Å; S145-E1643 PolarHBondContact OG-OE1 3.33Å; I1376-E1643 HydrophobicContact CB-CB 4.46Å; I1376-E1643 HydrophobicContact CB-CG 4.24Å; I1376-E1643 HydrophobicContact CG1-CG 4.4Å; I1376-E1643 HydrophobicContact CG2-CB 3.41Å; I1376-E1643 VanDerWaalsContact CG2-CB 3.41Å; I1376-E1643 HydrophobicContact CG2-CG 3.57Å; V1639-E1643 HydrophobicContact CG1-CG 4.3Å; V1639-E1643 WeakPolarHBondContact O-CG 3.49Å; V1639-E1643 PolarHBondContact O-N 2.88Å; E1643-A1646 PolarHBondContact O-N 3.44Å; E1643-L1647 WeakPolarHBondContact O-CG 3.24Å; E1643-L1647 PolarHBondContact O-N 2.94Å; E1643-L1647 VanDerWaalsContact O-N 3.11Å
1644	E	89.6	Confident	86.3	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-43.3	171.6	-76.7	-131.5	127.6	0	0	112	A1273 K1276 L1640 A1646 L1647 G1648 L1649 Q1651	A1273-E1644 WeakPolarHBondContact CA-OE2 3.42Å; A1273-E1644 HydrophobicContact CB-CB 4.29Å; A1273-E1644 HydrophobicContact CB-CG 3.8Å; A1273-E1644 WeakPolarHBondContact CB-OE2 3.4Å; K1276-E1644 WeakPolarHBondContact CD-OE1 3.35Å; K1276-E1644 WeakPolarHBondContact CE-OE1 3.44Å; K1276-E1644 IonicContact NZ-OE1 3.95Å; K1276-E1644 PolarHBondContact NZ-OE1 3.23Å; K1276-E1644 IonicContact NZ-OE2 2.76Å; K1276-E1644 PolarHBondContact NZ-OE2 3.3Å; L1640-E1644 WeakPolarHBondContact O-CG 3.32Å; L1640-E1644 PolarHBondContact O-N 3.45Å; E1644-A1646 VanDerWaalsContact C-N 3.35Å; E1644-A1646 PolarHBondContact O-N 3.48Å; E1644-L1647 PolarHBondContact O-N 2.73Å; E1644-G1648 PolarHBondContact O-N 3.24Å; E1644-L1649 HydrophobicContact CB-CB 4.21Å; E1644-L1649 HydrophobicContact CG-CD1 4.25Å; E1644-L1649 WeakPolarHBondContact O-CB 3.26Å; E1644-L1649 PolarHBondContact O-N 3.2Å; E1644-L1649 VanDerWaalsContact OE1-CD1 3.31Å; E1644-L1649 WeakPolarHBondContact OE1-CD1 3.36Å; E1644-Q1651 PolarHBondContact OE2-NE2 3.12Å
1645	K	88.1	Confident	84.8	Confident	124 Å²	124	42.1 Å²	42.1	54%	0.539	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-41.8	174.9	-75.7	167.9	-179.8	169.8	0	112.3	T1641 N1642 L1647 G1648	T1641-K1645 HydrophobicContact CG2-CD 4.25Å; T1641-K1645 WeakPolarHBondContact O-CB 3.48Å; T1641-K1645 WeakPolarHBondContact O-CD 3.49Å; T1641-K1645 VanDerWaalsContact O-CG 3.23Å; T1641-K1645 WeakPolarHBondContact O-CG 3.38Å; T1641-K1645 PolarHBondContact O-N 2.96Å; T1641-K1645 VanDerWaalsContact O-N 3.15Å; N1642-K1645 PolarHBondContact O-N 3.36Å; K1645-L1647 VanDerWaalsContact C-N 3.27Å; K1645-L1647 PolarHBondContact O-N 2.86Å; K1645-G1648 PolarHBondContact O-N 3.46Å
1646	A	88	Confident	82.7	Confident	67 Å²	67	42.4 Å²	42.4	55%	0.554	25%	0.247	S	C	*	.	H	α-helix	trans	-65.5	-30.2	179.4	0	0	0	0	0	112.9	T142 N1642 E1643 E1644 G1648	T142-A1646 HydrophobicContact CG2-CB 3.54Å; N1642-A1646 WeakPolarHBondContact O-CB 3.25Å; N1642-A1646 PolarHBondContact O-N 2.96Å; E1643-A1646 PolarHBondContact O-N 3.44Å; E1644-A1646 VanDerWaalsContact C-N 3.35Å; E1644-A1646 PolarHBondContact O-N 3.48Å; A1646-G1648 PolarHBondContact O-N 3.44Å
1647	L	85	Confident	80.6	Confident	63 Å²	63	44.7 Å²	44.7	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.4	171.6	-65.7	169.3	0	0	0	113.6	C1331 S1374 E1643 E1644 K1645 L1649	C1331-L1647 HydrophobicContact CB-CD1 4.17Å; C1331-L1647 HydrophobicContact CB-CD2 4.35Å; S1374-L1647 VanDerWaalsContact CB-CD1 3.49Å; E1643-L1647 WeakPolarHBondContact O-CG 3.24Å; E1643-L1647 PolarHBondContact O-N 2.94Å; E1643-L1647 VanDerWaalsContact O-N 3.11Å; E1644-L1647 PolarHBondContact O-N 2.73Å; K1645-L1647 VanDerWaalsContact C-N 3.27Å; K1645-L1647 PolarHBondContact O-N 2.86Å; L1647-L1649 HydrophobicContact CB-CD1 4.29Å; L1647-L1649 HydrophobicContact CB-CG 4.15Å; L1647-L1649 PolarHBondContact O-N 3.36Å
1648	G	81.7	Confident	78.4	Confident	58 Å²	58	54.6 Å²	54.6	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	11.7	-178.1	0	0	0	0	0	114.6	E1644 K1645 A1646 L1650	E1644-G1648 PolarHBondContact O-N 3.24Å; K1645-G1648 PolarHBondContact O-N 3.46Å; A1646-G1648 PolarHBondContact O-N 3.44Å; G1648-L1650 PolarHBondContact O-N 3.26Å
1649	L	83.3	Confident	75.6	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	30%	0.301	C	S	.	.			trans	-75.2	107	179.1	-61.4	174.2	0	0	0	109.6	P1330 I1372 E1644 L1647 Q1651	P1330-L1649 HydrophobicContact CB-CD2 4.15Å; P1330-L1649 HydrophobicContact CG-CD2 3.75Å; I1372-L1649 HydrophobicContact CG2-CD2 4.15Å; E1644-L1649 HydrophobicContact CB-CB 4.21Å; E1644-L1649 HydrophobicContact CG-CD1 4.25Å; E1644-L1649 WeakPolarHBondContact O-CB 3.26Å; E1644-L1649 PolarHBondContact O-N 3.2Å; E1644-L1649 VanDerWaalsContact OE1-CD1 3.31Å; E1644-L1649 WeakPolarHBondContact OE1-CD1 3.36Å; L1647-L1649 HydrophobicContact CB-CD1 4.29Å; L1647-L1649 HydrophobicContact CB-CG 4.15Å; L1647-L1649 PolarHBondContact O-N 3.36Å; L1649-Q1651 PolarHBondContact O-N 3.28Å
1650	L	74.6	Confident	72.5	Confident	100 Å²	100	63.8 Å²	63.8	52%	0.524	34%	0.339	S	S	.	.			trans	-58.7	134.3	-179.7	-67.4	171.5	0	0	0	111.2	N1196 G1648 P1652	N1196-L1650 HydrophobicContact CB-CD1 3.98Å; G1648-L1650 PolarHBondContact O-N 3.26Å; L1650-P1652 WeakPolarHBondContact O-CD 3.3Å
1651	Q	78.4	Confident	69.4	Low	44 Å²	44	69.2 Å²	69.2	21%	0.206	38%	0.375	C	S	.	.			trans	-89.3	102	167.5	-62.1	-59.6	-56.5	0	0	108.1	W1272 E1644 L1649 F1653	W1272-Q1651 VanDerWaalsContact N-OE1 3.08Å; E1644-Q1651 PolarHBondContact OE2-NE2 3.12Å; L1649-Q1651 PolarHBondContact O-N 3.28Å; Q1651-F1653 PolarHBondContact O-N 3.42Å
1652	P	73.9	Confident	66.4	Low	11 Å²	11	73.9 Å²	73.9	7%	0.071	40%	0.397	C	S	.	.			trans	-65.2	134.8	-179	22.8	-31.7	0	0	0	111.5	M1202 W1272 L1650 V1655	M1202-P1652 HydrophobicContact CE-CG 3.67Å; M1202-P1652 HydrophobicContact SD-CG 4.11Å; W1272-P1652 HydrophobicContact CB-CG 4.26Å; W1272-P1652 HydrophobicContact CG-CG 4.15Å; L1650-P1652 WeakPolarHBondContact O-CD 3.3Å; P1652-V1655 HydrophobicContact CB-CG2 4.3Å; P1652-V1655 HydrophobicContact CG-CG2 3.84Å; P1652-V1655 WeakPolarHBondContact O-CG2 3.37Å
1653	F	68.1	Low	63.4	Low	197 Å²	197	75.7 Å²	75.7	86%	0.864	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	151.8	173.4	-63.2	-78.7	0	0	0	111.9	R1206 Q1651	R1206-F1653 PolarHBondContact NH2-O 3.12Å; R1206-F1653 VanDerWaalsContact NH2-O 3.09Å; Q1651-F1653 PolarHBondContact O-N 3.42Å
1654	G	61.7	Low	60.7	Low	46 Å²	46	80 Å²	80	47%	0.474	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	1.3	171.1	0	0	0	0	0	116.2	Q1209 A1657	Q1209-G1654 PolarHBondContact NE2-O 3.12Å; G1654-A1657 PolarHBondContact O-N 3.21Å
1655	V	62.3	Low	57.9	Low	0 Å²	0	87.3 Å²	87.3	0%	0	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	140.5	173.1	-174.1	0	0	0	0	109.6	M1202 L1205 S1269 D1270 W1272 P1652 A1657	M1202-V1655 HydrophobicContact CE-CG1 4.29Å; M1202-V1655 HydrophobicContact CE-CG2 3.57Å; M1202-V1655 HydrophobicContact SD-CG2 4.03Å; L1205-V1655 HydrophobicContact CD2-CG1 3.8Å; S1269-V1655 CarbonylContact O-C 3.59Å; S1269-V1655 VanDerWaalsContact O-CG1 3.31Å; S1269-V1655 WeakPolarHBondContact O-CG1 3.38Å; D1270-V1655 WeakPolarHBondContact CA-O 3.44Å; D1270-V1655 WeakPolarHBondContact CB-O 3.44Å; W1272-V1655 HydrophobicContact CE3-CG1 3.92Å; W1272-V1655 HydrophobicContact CZ3-CG1 4.42Å; P1652-V1655 HydrophobicContact CB-CG2 4.3Å; P1652-V1655 HydrophobicContact CG-CG2 3.84Å; P1652-V1655 WeakPolarHBondContact O-CG2 3.37Å; V1655-A1657 PolarHBondContact O-N 3.31Å
1656	G	51.6	Low	55.4	Low	14 Å²	14	88 Å²	88	14%	0.144	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-11.4	177	0	0	0	0	0	117.1	S1269 R1658	S1269-G1656 VanDerWaalsContact O-CA 3.3Å; S1269-G1656 WeakPolarHBondContact O-CA 3.43Å; S1269-G1656 PolarHBondContact O-N 3.04Å; G1656-R1658 PolarHBondContact O-N 3.3Å
1657	A	49.2	Very low	53	Low	49 Å²	49	90.9 Å²	90.9	41%	0.405	48%	0.484	S	S	.	.			trans	-69	114.6	178.9	0	0	0	0	0	109.7	G1654 V1655	G1654-A1657 PolarHBondContact O-N 3.21Å; V1655-A1657 PolarHBondContact O-N 3.31Å
1658	R	48.4	Very low	50.6	Low	226 Å²	226	93.7 Å²	93.7	85%	0.853	50%	0.499	S	S	*	.			trans	-53.4	129.2	167.5	-171.1	179.3	-169.7	-170.9	3	108.3	G1656 R1660	G1656-R1658 PolarHBondContact O-N 3.3Å; R1658-R1660 PolarHBondContact O-N 3.12Å
1659	P	36.3	Very low	48.2	Very low	60 Å²	60	100.3 Å²	100.3	39%	0.39	51%	0.506	S	S	.	.			trans	-49.8	109.9	-169.6	-32.5	36.1	0	0	0	113.5
1660	R	30.7	Very low	45.8	Very low	209 Å²	209	105.2 Å²	105.2	79%	0.789	54%	0.536	S	S	*	.			trans	-82.9	147.7	157.1	-54.6	-172.2	-164.7	-170.3	7.9	106.8	R1658 M1662	R1658-R1660 PolarHBondContact O-N 3.12Å; R1660-M1662 PolarHBondContact O-N 3.12Å
1661	P	28.3	Very low	43.9	Very low	115 Å²	115	107.4 Å²	107.4	75%	0.747	55%	0.548	S	S	*	.			trans	-63.2	101	171.7	26.3	-33.3	0	0	0	109.2
1662	M	29.9	Very low	41.7	Very low	113 Å²	113	112.4 Å²	112.4	56%	0.557	58%	0.576	S	S	*	*			trans	-65.3	134.2	164.6	-74.6	-165.4	-70	0	0	108.4	F1210 R1660	F1210-M1662 HydrophobicContact CE1-CE 4.41Å; R1660-M1662 PolarHBondContact O-N 3.12Å
1663	A	30.2	Very low	39.7	Very low	71 Å²	71	115.1 Å²	115.1	59%	0.587	60%	0.6	S	S	*	*			trans	-56.1	142.3	171.9	0	0	0	0	0	110.4	E1665	A1663-E1665 HydrophobicContact CB-CG 4.4Å; A1663-E1665 PolarHBondContact O-N 3.29Å; A1663-E1665 VanDerWaalsContact O-N 3.12Å
1664	V	35.1	Very low	37.9	Very low	107 Å²	107	113.9 Å²	113.9	65%	0.648	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-67.6	-13.4	-172.3	179.7	0	0	0	0	112.8	L1666 Y1667	V1664-L1666 PolarHBondContact O-N 3.06Å; V1664-Y1667 PolarHBondContact O-N 3.27Å
1665	E	31.8	Very low	36.4	Very low	154 Å²	154	119.5 Å²	119.5	72%	0.72	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-60	-15.2	-169.5	-57.1	-177.6	153.8	0	0	116.2	A1663	A1663-E1665 HydrophobicContact CB-CG 4.4Å; A1663-E1665 PolarHBondContact O-N 3.29Å; A1663-E1665 VanDerWaalsContact O-N 3.12Å
1666	L	34.4	Very low	34.9	Very low	139 Å²	139	126.7 Å²	126.7	73%	0.728	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-89.4	-15.1	176.1	-81.9	168	0	0	0	114.5	V1664	V1664-L1666 PolarHBondContact O-N 3.06Å
1667	Y	38.2	Very low	33.9	Very low	126 Å²	126	131 Å²	131	49%	0.494	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-16.8	-178.9	-115.3	-95.9	0	0	0	113.9	V1664	V1664-Y1667 PolarHBondContact O-N 3.27Å
1668	N	33.5	Very low	32.9	Very low	122 Å²	122	134.4 Å²	134.4	65%	0.652	69%	0.691	S	S	*	*	S	Bend	trans	-107.6	32.8	-176.2	-61.6	10.7	0	0	0	112.4
1669	R	31.4	Very low	32.2	Very low	198 Å²	198	132 Å²	132	75%	0.747	69%	0.686	S	S	*	*	S	Bend	trans	-138.3	9.7	-175.6	-81	-168.7	172.8	-177.4	1.2	115.2
1670	V	34.8	Very low	31.9	Very low	108 Å²	108	132 Å²	132	66%	0.655	70%	0.698	S	S	*	*	S	Bend	trans	-98.8	-30.4	-178.6	-176.9	0	0	0	0	111.7
1671	D	34.1	Very low	31.8	Very low	146 Å²	146	130.5 Å²	130.5	78%	0.781	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-19.9	-175.4	-55.3	-48.4	0	0	0	113.7
1672	D	31.9	Very low	31.9	Very low	149 Å²	149	134.7 Å²	134.7	80%	0.797	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	3.6	178.8	-70.7	-42.5	0	0	0	114.2	Q1674	D1672-Q1674 PolarHBondContact O-N 2.83Å
1673	A	31	Very low	31.8	Very low	68 Å²	68	133.7 Å²	133.7	56%	0.562	72%	0.718	S	S	*	*			trans	-100.5	32.6	-162.1	0	0	0	0	0	115.8
1674	Q	31	Very low	31.7	Very low	171 Å²	171	138 Å²	138	80%	0.799	73%	0.729	S	S	*	*			trans	-87.9	139.6	165.2	-61.4	-171.9	10.8	0	0	110	D1672	D1672-Q1674 PolarHBondContact O-N 2.83Å
1675	N	30.5	Very low	31.3	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	74%	0.735	S	S	*	*	S	Bend	trans	78.9	58.2	-177.8	-52.1	-52.8	0	0	0	118.3
1676	I	31.6	Very low	31	Very low	151 Å²	151	139.5 Å²	139.5	77%	0.774	74%	0.741	S	S	*	*			trans	-130.9	132.5	159.1	-57.9	-177.8	0	0	0	110.7
1677	D	29.3	Very low	30.6	Very low	105 Å²	105	141.3 Å²	141.3	56%	0.561	75%	0.746	S	S	*	*			trans	-68.2	127.3	-177.3	179.7	-6.2	0	0	0	112.3	K1679	D1677-K1679 PolarHBondContact O-N 2.59Å; D1677-K1679 PolarHBondContact OD1-N 3.48Å
1678	P	28.5	Very low	30.1	Very low	121 Å²	121	141 Å²	141	79%	0.786	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-5.6	-179.7	-27.4	36	0	0	0	117.5
1679	K	33	Very low	29.8	Very low	174 Å²	174	142.2 Å²	142.2	76%	0.757	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-8.7	-175.2	-72.1	173.9	-179.3	168.7	0	115.9	D1677	D1677-K1679 PolarHBondContact O-N 2.59Å; D1677-K1679 PolarHBondContact OD1-N 3.48Å
1680	G	29.9	Very low	29.6	Very low	62 Å²	62	136.8 Å²	136.8	64%	0.639	76%	0.764	S	S	*	*	S	Bend	trans	-84.6	-25.6	-175.6	0	0	0	0	0	116.8	K1682	G1680-K1682 VanDerWaalsContact C-N 3.27Å; G1680-K1682 PolarHBondContact O-N 3.32Å
1681	M	29.3	Very low	29.3	Very low	177 Å²	177	138.8 Å²	138.8	87%	0.872	77%	0.771	S	S	*	*			trans	-84.3	27.2	-160.3	-58.7	-170.5	82.5	0	0	116
1682	K	29.8	Very low	29	Very low	203 Å²	203	143 Å²	143	88%	0.883	78%	0.776	S	S	*	*	S	Bend	trans	-101.7	17.3	-171.6	-130.7	-179.5	-174.5	-175.6	0	115.7	G1680	G1680-K1682 VanDerWaalsContact C-N 3.27Å; G1680-K1682 PolarHBondContact O-N 3.32Å
1683	A	29	Very low	28.8	Very low	91 Å²	91	146.9 Å²	146.9	75%	0.752	78%	0.781	S	S	*	*	S	Bend	trans	-145.5	20.4	-168.7	0	0	0	0	0	116.4
1684	I	27.7	Very low	28.7	Very low	161 Å²	161	147.2 Å²	147.2	83%	0.826	79%	0.791	S	S	*	*			trans	-118.6	-1.3	-178.6	-58.7	179.7	0	0	0	112.4	E1686	I1684-E1686 PolarHBondContact O-N 2.98Å
1685	S	27.1	Very low	28.3	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	79%	0.791	S	S	*	*	S	Bend	trans	-82.9	37.1	-179.4	58.6	0	0	0	0	114.5
1686	E	26.1	Very low	28.2	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	79%	0.791	S	S	*	*			trans	-162.5	81.8	-178.2	-129.3	170.1	-113.3	0	0	114	I1684	I1684-E1686 PolarHBondContact O-N 2.98Å
1687	Q	24.6	Very low	27.8	Very low	178 Å²	178	143 Å²	143	83%	0.832	79%	0.787	S	S	*	*			trans	-162.9	128.2	148.4	-82.9	-141.7	-9.9	0	0	111.3	V1689	Q1687-V1689 PolarHBondContact O-N 3.35Å
1688	P	27.2	Very low	27.7	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	80%	0.801	S	S	*	*			trans	-83.7	110	172.9	31.7	-31.4	0	0	0	111.3	S1690	P1688-S1690 VanDerWaalsContact C-N 3.32Å; P1688-S1690 PolarHBondContact O-N 2.91Å
1689	V	29	Very low	27.4	Very low	147 Å²	147	144.3 Å²	144.3	89%	0.891	80%	0.8	S	S	*	*			trans	-73.3	86.1	176.6	-174.1	0	0	0	0	110.9	Q1687	Q1687-V1689 PolarHBondContact O-N 3.35Å
1690	S	26	Very low	27.4	Very low	84 Å²	84	143 Å²	143	59%	0.587	81%	0.807	S	S	*	*			trans	-82.9	177.7	161.1	55	0	0	0	0	111	P1688	P1688-S1690 VanDerWaalsContact C-N 3.32Å; P1688-S1690 PolarHBondContact O-N 2.91Å
1691	N	27.9	Very low	27.4	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	82%	0.819	S	S	*	*			trans	69.4	73.6	168.3	-58.8	-22.2	0	0	0	118.3
1692	R	28.6	Very low	27.3	Very low	235 Å²	235	139.3 Å²	139.3	89%	0.887	80%	0.804	S	S	*	*			trans	-156.9	125.3	133.1	-105.3	173.7	-87.8	-168	-3.2	105.6
1693	Y	27.7	Very low	27.3	Very low	229 Å²	229	136.8 Å²	136.8	90%	0.898	81%	0.806	S	S	*	*			cis	-120	156	31.6	-71.5	-102.1	0	0	0	113.8
1694	G	28.1	Very low	27.1	Very low	76 Å²	76	139 Å²	139	78%	0.784	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83	150.5	174.9	0	0	0	0	0	113.3
1695	S	24.3	Very low	26.9	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.9	138.8	170.1	43.3	0	0	0	0	111.3
1696	I	27.8	Very low	26.8	Very low	169 Å²	169	138.1 Å²	138.1	87%	0.867	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-97.7	132.8	162.5	-67	178.3	0	0	0	107.7
1697	V	22.8	Very low	26.6	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.685	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.5	127.1	-174.4	177.2	0	0	0	0	110.8	T1699	V1697-T1699 HydrophobicContact CG1-CG2 3.98Å
1698	C	26.8	Very low	26.6	Very low	128 Å²	128	135 Å²	135	87%	0.865	80%	0.801	S	S	*	*			trans	-137.6	129.6	152.3	-86.3	0	0	0	0	109.2
1699	T	23.5	Very low	26.5	Very low	125 Å²	125	136.5 Å²	136.5	77%	0.767	80%	0.8	S	S	*	*			trans	-105.7	121.6	-171.1	49.1	0	0	0	0	112.2	V1697	V1697-T1699 HydrophobicContact CG1-CG2 3.98Å
1700	T	31.5	Very low	26.4	Very low	146 Å²	146	138.7 Å²	138.7	90%	0.896	80%	0.798	S	S	*	*			trans	-139.6	147.2	155.3	42.1	0	0	0	0	109.2
1701	A	30.4	Very low	26.5	Very low	109 Å²	109	142.7 Å²	142.7	90%	0.901	81%	0.812	S	S	*	*			trans	-88.1	160.5	-161.7	0	0	0	0	0	114.8
1702	G	28.4	Very low	26.4	Very low	53 Å²	53	140 Å²	140	55%	0.546	81%	0.805	S	S	.	*	S	Bend	trans	107.9	97	161.3	0	0	0	0	0	116.2	N1704	G1702-N1704 PolarHBondContact O-N 3.46Å
1703	T	29.1	Very low	26.2	Very low	151 Å²	151	134.8 Å²	134.8	93%	0.926	80%	0.795	S	S	*	*			trans	40.1	79	148.5	55.4	0	0	0	0	117.6
1704	N	24.4	Very low	26.2	Very low	138 Å²	138	128.4 Å²	128.4	74%	0.738	78%	0.78	S	S	*	*			trans	-94.9	106.5	176.8	-88	-30.8	0	0	0	114	G1702 T1706	G1702-N1704 PolarHBondContact O-N 3.46Å; N1704-T1706 HydrophobicContact CB-CG2 4.2Å
1705	T	23.2	Very low	26.1	Very low	144 Å²	144	129.4 Å²	129.4	88%	0.883	78%	0.775	S	S	*	*			trans	-94.8	111.6	147.9	47.9	0	0	0	0	108.6
1706	T	25.8	Very low	26.1	Very low	109 Å²	109	130.6 Å²	130.6	67%	0.669	77%	0.772	S	S	*	*			trans	-140.4	124.2	-172.9	45.6	0	0	0	0	114.5	N1704	N1704-T1706 HydrophobicContact CB-CG2 4.2Å
1707	M	22.5	Very low	26	Very low	174 Å²	174	127.5 Å²	127.5	86%	0.857	76%	0.761	S	S	*	*			trans	-84.6	154.6	159.5	-81.8	-174.8	160.4	0	0	111.4
1708	P	24.7	Very low	26.1	Very low	120 Å²	120	131 Å²	131	78%	0.779	77%	0.766	S	S	*	*			trans	-121.8	127.2	133.2	33.5	-24.5	0	0	0	109.5
1709	I	24.8	Very low	26.2	Very low	151 Å²	151	132.2 Å²	132.2	77%	0.774	76%	0.76	S	S	*	*				69.3	125.7	54.7	-56.2	-179.3	0	0	0	112.6
1710	F	26.8	Very low	26.4	Very low	194 Å²	194	132.2 Å²	132.2	85%	0.851	76%	0.755	S	S	*	*			trans	-76.2	159.4	-177.1	-79	-115.3	0	0	0	112.7
1711	L	26.5	Very low	26.2	Very low	167 Å²	167	131.6 Å²	131.6	87%	0.874	75%	0.746	S	S	*	*			trans	-157.1	164.5	134.5	-109.8	167.5	0	0	0	110.9
1712	S	26.3	Very low	26.2	Very low	95 Å²	95	131.5 Å²	131.5	66%	0.664	74%	0.738	S	S	*	*			trans	-136.4	173.9	-173.9	58.9	0	0	0	0	112
1713	N	25.5	Very low	26.1	Very low	124 Å²	124	136.3 Å²	136.3	66%	0.663	75%	0.749	S	S	*	*			trans	81.5	99.6	171.2	-61.8	-3.5	0	0	0	118.3
1714	T	27.2	Very low	26	Very low	95 Å²	95	138 Å²	138	58%	0.583	74%	0.739	S	S	*	*				43.5	127.9	122.6	60.2	0	0	0	0	122
1715	S	25.4	Very low	26.2	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	73%	0.73	S	S	*	*				109.2	140.8	126.8	82.9	0	0	0	0	119.3
1716	L	25.1	Very low	26.5	Very low	140 Å²	140	139 Å²	139	73%	0.733	73%	0.726	S	S	*	*			trans	67.7	148.8	155.6	-62.2	164.4	0	0	0	118.6
1717	V	25.6	Very low	26.6	Very low	104 Å²	104	138.5 Å²	138.5	63%	0.63	73%	0.727	S	S	*	*			cis	-168.6	157.5	-27.2	75.1	0	0	0	0	110
1718	K	25.4	Very low	27	Very low	185 Å²	185	135.2 Å²	135.2	80%	0.804	72%	0.72	S	S	*	*			trans	66.4	156.9	171.2	-60.5	167	-173.5	175	0	113.5
1719	Q	27.2	Very low	27.2	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.724	72%	0.718	S	S	*	*			cis	-142.1	154.5	23.7	-81.2	-173.3	-1.5	0	0	113.1
1720	N	27.9	Very low	27.4	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	72%	0.715	S	S	*	*			trans	64.9	145.8	149.9	-55.7	-8.9	0	0	0	117.8
1721	N	28.2	Very low	27.4	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	71%	0.713	S	S	*	*			cis	-157.7	161.4	-5.3	-116.9	-10.1	0	0	0	110.2
1722	S	29.1	Very low	27.8	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	71%	0.705	S	S	*	*			trans	67.7	147.7	157.9	71.5	0	0	0	0	119
1723	M	27.1	Very low	27.9	Very low	154 Å²	154	134.1 Å²	134.1	76%	0.759	71%	0.712	S	S	*	*			cis	-164.4	131.6	-11.9	-113.7	176	64.9	0	0	111.6
1724	Y	27.5	Very low	28	Very low	187 Å²	187	134.9 Å²	134.9	73%	0.733	72%	0.715	S	S	*	*			trans	59.2	144	157.2	-66.3	-87.4	0	0	0	120.7
1725	N	27.8	Very low	27.9	Very low	101 Å²	101	136.1 Å²	136.1	54%	0.54	72%	0.723	S	S	.	*			cis	-167.4	139.5	-25.1	-126.9	32.9	0	0	0	113.9
1726	Y	29.4	Very low	28	Very low	203 Å²	203	140.1 Å²	140.1	80%	0.796	73%	0.731	S	S	*	*				58.7	154.7	129	-78.5	-130.4	0	0	0	120.6
1727	S	28.6	Very low	28.2	Very low	98 Å²	98	139 Å²	139	69%	0.685	73%	0.73	S	S	*	*			cis	-160.6	151.8	-4.4	39.7	0	0	0	0	109.3
1728	S	29.9	Very low	28.1	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	74%	0.738	S	S	*	*				172.2	159.7	78.1	44.6	0	0	0	0	108.2
1729	I	28.9	Very low	28.1	Very low	144 Å²	144	137.3 Å²	137.3	74%	0.738	73%	0.732	S	S	*	*			cis	-153.2	117.9	-3.2	-111.5	159.6	0	0	0	104.6
1730	T	29.3	Very low	28.1	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.693	73%	0.732	S	S	*	*				48.7	144.3	102.5	60.5	0	0	0	0	116.4
1731	N	27.7	Very low	28.1	Very low	153 Å²	153	136 Å²	136	82%	0.818	74%	0.735	S	S	*	*			cis	-154.9	170.3	16.4	-126.9	5.6	0	0	0	113
1732	P	33.8	Very low	28.3	Very low	110 Å²	110	136.4 Å²	136.4	71%	0.714	74%	0.737	S	S	*	*			trans	-121	-174.3	-164.2	45.1	-36.6	0	0	0	116.5
1733	K	29.9	Very low	28.1	Very low	184 Å²	184	140.1 Å²	140.1	80%	0.8	74%	0.74	S	S	*	*			trans	-139.5	118.3	149.9	-82.6	-170.6	175.7	177.3	0	110.5
1734	L	27.2	Very low	28.2	Very low	141 Å²	141	139 Å²	139	74%	0.738	74%	0.738	S	S	*	*				63.8	103.4	102.1	-60.5	173.5	0	0	0	113.6
1735	T	25.1	Very low	28.2	Very low	120 Å²	120	139.2 Å²	139.2	74%	0.736	74%	0.742	S	S	*	*				73.3	121.5	60.9	65.3	0	0	0	0	116.1
1736	E	27.8	Very low	28.4	Very low	183 Å²	183	139.7 Å²	139.7	86%	0.855	75%	0.751	S	S	*	*				-172.6	159.3	128.6	-110	179.3	165.7	0	0	114.4
1737	V	28.3	Very low	28.2	Very low	117 Å²	117	137.5 Å²	137.5	71%	0.709	75%	0.747	S	S	*	*			trans	43.4	116.4	155.1	-177.6	0	0	0	0	118.5
1738	L	23.3	Very low	28.1	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	75%	0.745	S	S	*	*			cis	65.9	94.9	24	-67.9	174.4	0	0	0	118.3
1739	S	26.5	Very low	27.9	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	74%	0.744	S	S	*	*			trans	168.9	136.8	134.4	57.8	0	0	0	0	114.8
1740	T	27.9	Very low	27.6	Very low	117 Å²	117	144 Å²	144	72%	0.718	75%	0.746	S	S	*	*			trans	51.4	150.7	139	60	0	0	0	0	121.6
1741	N	27.3	Very low	27.4	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	75%	0.752	S	S	*	*			cis	-165.3	-172.2	-7.1	-110.9	6.6	0	0	0	110.4
1742	D	30.9	Very low	27.1	Very low	143 Å²	143	148 Å²	148	77%	0.765	75%	0.753	S	S	*	*			trans	79.8	96.6	153.1	-59.1	-25.5	0	0	0	121.6
1743	F	25.2	Very low	26.7	Very low	183 Å²	183	151.4 Å²	151.4	80%	0.803	76%	0.759	S	S	*	*			trans	-41.6	145.3	147.4	-62.2	-113.4	0	0	0	114
1744	N	31	Very low	26.5	Very low	132 Å²	132	147.8 Å²	147.8	71%	0.706	75%	0.752	S	S	*	*				174	128.8	98.7	-98	-69.1	0	0	0	116.2
1745	K	26.7	Very low	26.4	Very low	191 Å²	191	150.7 Å²	150.7	83%	0.83	76%	0.755	S	S	*	*			trans	67.1	163	139.9	-78.7	-176	176.1	179.5	0	119.9
1746	P	31.9	Very low	26.4	Very low	111 Å²	111	154 Å²	154	72%	0.721	76%	0.759	S	S	*	*			trans	-135.4	-153	-141.5	41	-19.7	0	0	0	114.6
1747	H	25.5	Very low	26.3	Very low	156 Å²	156	148.7 Å²	148.7	72%	0.722	75%	0.754	S	S	*	*			trans	89.5	155.5	172.7	-95.9	-111.1	0	0	0	118.4
1748	E	26	Very low	26.2	Very low	136 Å²	136	150.3 Å²	150.3	64%	0.636	76%	0.759	S	S	*	*			trans	49.2	115.7	172.5	-86.3	99.7	-99.3	0	0	119.1
1749	Q	24.7	Very low	26.3	Very low	151 Å²	151	150.1 Å²	150.1	71%	0.706	76%	0.758	S	S	*	*				87.4	139.2	76.1	-80.9	-173.9	11.5	0	0	114.6
1750	Y	24.2	Very low	26.3	Very low	197 Å²	197	152.6 Å²	152.6	77%	0.773	76%	0.764	S	S	*	*			trans	72.5	138.2	161.4	-70.9	-65.4	0	0	0	122.9
1751	L	23.8	Very low	26.2	Very low	160 Å²	160	153.6 Å²	153.6	84%	0.838	77%	0.77	S	S	*	*			trans	80.5	138.7	142.1	-79	162.4	0	0	0	122.6
1752	F	23.1	Very low	26.1	Very low	190 Å²	190	153.2 Å²	153.2	83%	0.833	78%	0.778	S	S	*	*			trans	-73.9	153.3	164.1	-74.6	-123	0	0	0	110.2
1753	Q	24.2	Very low	26	Very low	181 Å²	181	152.3 Å²	152.3	85%	0.846	77%	0.771	S	S	*	*				177.3	129.2	105.6	-92.8	-170	0.1	0	0	115.3
1754	V	24.9	Very low	25.9	Very low	108 Å²	108	155 Å²	155	66%	0.655	78%	0.777	S	S	*	*			trans	24.2	122.9	141.8	-143.2	0	0	0	0	120.5
1755	Y	25.7	Very low	25.9	Very low	202 Å²	202	152.5 Å²	152.5	79%	0.792	76%	0.764	S	S	*	*				178.5	160.4	103.2	-108.1	-78.8	0	0	0	116
1756	K	24.8	Very low	26.3	Very low	188 Å²	188	148 Å²	148	82%	0.817	75%	0.754	S	S	*	*			trans	-62.1	154.7	-172.4	-54	166.1	-179.8	-179.1	0	115.9
1757	G	27.2	Very low	26.1	Very low	73 Å²	73	149.7 Å²	149.7	75%	0.753	76%	0.755	S	S	*	*			trans	-176.9	127.8	159.4	0	0	0	0	0	110.9
1758	D	26.3	Very low	26.2	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	75%	0.745	S	S	*	*			trans	-85.2	164.7	-162.4	-56.7	-65.4	0	0	0	116.2
1759	N	25.6	Very low	26.2	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	75%	0.749	S	S	*	*			trans	81	121.7	160.2	-60.1	-32.4	0	0	0	120.6
1760	N	25	Very low	26.4	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	75%	0.75	S	S	*	*	S	Bend	trans	72.6	148	160.2	-64.4	-21.4	0	0	0	120
1761	T	26.6	Very low	26.5	Very low	138 Å²	138	145.6 Å²	145.6	85%	0.847	75%	0.75	S	S	*	*			trans	56.4	74.1	173	50.5	0	0	0	0	116.9	M1763	T1761-M1763 PolarHBondContact O-N 3.18Å; T1761-M1763 VanDerWaalsContact O-N 3.12Å
1762	S	25.7	Very low	26.6	Very low	128 Å²	128	144.9 Å²	144.9	90%	0.895	75%	0.745	S	S	*	*			trans	-70.5	98.8	166.6	57	0	0	0	0	111.8
1763	M	27.3	Very low	26.6	Very low	124 Å²	124	140.5 Å²	140.5	61%	0.611	74%	0.738	S	S	*	*			trans	-138.7	103.9	167.4	-158.8	177.1	-152.1	0	0	112.7	T1761 N1765	T1761-M1763 PolarHBondContact O-N 3.18Å; T1761-M1763 VanDerWaalsContact O-N 3.12Å; M1763-N1765 HydrophobicContact CE-CB 4.22Å; M1763-N1765 HydrophobicContact CG-CB 4.25Å
1764	Y	24.6	Very low	26.6	Very low	240 Å²	240	136 Å²	136	94%	0.941	73%	0.726	S	S	*	*			trans	-120.9	101	151.5	-123.7	-88	0	0	0	108.2
1765	N	30.1	Very low	26.5	Very low	79 Å²	79	136.4 Å²	136.4	42%	0.422	73%	0.729	S	S	.	*			trans	-161.4	104.7	-175.1	172.5	1.3	0	0	0	108.2	M1763	M1763-N1765 HydrophobicContact CE-CB 4.22Å; M1763-N1765 HydrophobicContact CG-CB 4.25Å
1766	P	34.5	Very low	26.5	Very low	95 Å²	95	131.3 Å²	131.3	62%	0.617	71%	0.713	S	S	*	*				-140.6	172.5	119.4	41.2	-28.2	0	0	0	111.7	K1768	P1766-K1768 HydrophobicContact CB-CD 4.37Å; P1766-K1768 HydrophobicContact CB-CG 4.45Å
1767	I	28	Very low	26.4	Very low	147 Å²	147	127.6 Å²	127.6	75%	0.754	70%	0.701	S	S	*	*			cis	-129.1	111.8	14.6	-59.5	161.5	0	0	0	107
1768	K	27.5	Very low	26	Very low	117 Å²	117	134.3 Å²	134.3	51%	0.509	70%	0.704	S	S	.	*				62.9	91.6	59	-70.8	-171.1	173.6	177.2	0	115.6	P1766	P1766-K1768 HydrophobicContact CB-CD 4.37Å; P1766-K1768 HydrophobicContact CB-CG 4.45Å
1769	Q	26.5	Very low	25.7	Very low	155 Å²	155	134.6 Å²	134.6	72%	0.724	70%	0.698	S	S	*	*				-143.9	123.5	123.8	-106.6	178.6	-11.9	0	0	109
1770	I	29.7	Very low	25.8	Very low	140 Å²	140	133.3 Å²	133.3	72%	0.718	70%	0.699	S	S	*	*			trans	49.7	99.7	160.5	-42.2	170.6	0	0	0	116.1	I1772	I1770-I1772 HydrophobicContact CG2-CD1 4.1Å; I1770-I1772 HydrophobicContact CG2-CG1 4.01Å
1771	N	25.4	Very low	25.9	Very low	143 Å²	143	131.2 Å²	131.2	77%	0.765	69%	0.693	S	S	*	*			cis	76.9	51.9	4.8	-152.9	95	0	0	0	118.2
1772	I	25.5	Very low	26.1	Very low	145 Å²	145	132.4 Å²	132.4	74%	0.744	69%	0.694	S	S	*	*			trans	-150.8	139.3	166.2	-64.2	-177.7	0	0	0	106.1	I1770	I1770-I1772 HydrophobicContact CG2-CD1 4.1Å; I1770-I1772 HydrophobicContact CG2-CG1 4.01Å
1773	S	24.2	Very low	26.1	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	68%	0.68	S	S	*	*			cis	-162.6	-153.2	-20.9	53.2	0	0	0	0	108.9
1774	S	23.9	Very low	25.9	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	68%	0.682	S	S	*	*			trans	21	130.1	144.7	53.6	0	0	0	0	119.4
1775	T	23.1	Very low	25.9	Very low	116 Å²	116	125 Å²	125	71%	0.712	68%	0.675	S	S	*	*			cis	46	101.5	28.6	16.9	0	0	0	0	116
1776	E	25	Very low	25.7	Very low	96 Å²	96	126.8 Å²	126.8	45%	0.449	69%	0.689	S	S	.	*			trans	72.6	129.3	144.9	-98.2	165.3	-124.6	0	0	121.5	K959	K959-E1776 IonicContact NZ-OE1 3.6Å; K959-E1776 PolarHBondContact NZ-OE1 2.88Å
1777	I	22	Very low	25.3	Very low	110 Å²	110	128.3 Å²	128.3	56%	0.564	70%	0.697	S	S	*	*			trans	71.5	153	163.3	-41.7	148.2	0	0	0	108.8	K1779	I1777-K1779 HydrophobicContact CG2-CD 3.87Å; I1777-K1779 HydrophobicContact CG2-CG 3.91Å
1778	W	19.9	Very low	25.3	Very low	214 Å²	214	124.6 Å²	124.6	81%	0.811	69%	0.694	S	S	*	*			cis	-147.6	120.9	39.6	-74.2	66.1	0	0	0	108.9
1779	K	20.2	Very low	25.3	Very low	157 Å²	157	126 Å²	126	68%	0.683	71%	0.707	S	S	*	*				62	108.6	88.8	-73.1	179.9	176.4	179.4	0	114.8	I1777	I1777-K1779 HydrophobicContact CG2-CD 3.87Å; I1777-K1779 HydrophobicContact CG2-CG 3.91Å
1780	C	28.1	Very low	25.4	Very low	122 Å²	122	123 Å²	123	82%	0.824	70%	0.7	S	S	*	*			trans	71.1	159.1	151.6	-72.7	0	0	0	0	116.4
1781	P	25.8	Very low	25.3	Very low	105 Å²	105	122.7 Å²	122.7	68%	0.682	70%	0.7	S	S	*	*			cis	-123.4	137.2	16.7	39.4	-24.5	0	0	0	116.6	P1783	P1781-P1783 HydrophobicContact CB-CG 4.26Å; P1781-P1783 WeakPolarHBondContact O-CD 3.25Å
1782	L	31.1	Very low	25.3	Very low	164 Å²	164	120 Å²	120	86%	0.859	69%	0.693	S	S	*	*				-62.7	127.5	129.6	-85.6	164.8	0	0	0	107.2
1783	P	25.1	Very low	25.2	Very low	95 Å²	95	120.7 Å²	120.7	62%	0.617	69%	0.694	S	S	*	*				-123.5	110.2	123	2.2	19.5	0	0	0	107.8	P1781	P1781-P1783 HydrophobicContact CB-CG 4.26Å; P1781-P1783 WeakPolarHBondContact O-CD 3.25Å
1784	S	23.3	Very low	25.2	Very low	92 Å²	92	120.9 Å²	120.9	64%	0.643	70%	0.696	S	S	*	*				57.9	74.3	76.8	80.8	0	0	0	0	112.5
1785	N	24.7	Very low	25.2	Very low	149 Å²	149	122.1 Å²	122.1	80%	0.797	70%	0.699	S	S	*	*			trans	-178.4	136.7	147.5	-90.5	-18.4	0	0	0	107.1
1786	T	26.8	Very low	25.2	Very low	116 Å²	116	127.2 Å²	127.2	71%	0.712	71%	0.707	S	S	*	*			cis	-138.6	115.1	3.6	12.9	0	0	0	0	107.7
1787	T	26.6	Very low	25.2	Very low	128 Å²	128	129.8 Å²	129.8	79%	0.785	72%	0.719	S	S	*	*				61.3	125	102.4	64.2	0	0	0	0	115.2
1788	G	26.9	Very low	25.7	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	71%	0.706	S	S	*	*			trans	103.5	125.7	172.4	0	0	0	0	0	112.5
1789	N	27.9	Very low	25.9	Very low	146 Å²	146	121.2 Å²	121.2	78%	0.781	69%	0.688	S	S	*	*			cis	-158.9	172.3	-10	-140.3	27.5	0	0	0	111.1
1790	T	27.8	Very low	26	Very low	92 Å²	92	119 Å²	119	56%	0.564	68%	0.678	S	S	*	*			trans	6.2	138.9	143.3	59.8	0	0	0	0	118.1
1791	D	27.3	Very low	25.9	Very low	135 Å²	135	117.6 Å²	117.6	72%	0.722	66%	0.663	S	S	*	*			cis	-171.7	169.5	2.6	-110.3	-28.5	0	0	0	110.4
1792	S	26.2	Very low	25.8	Very low	87 Å²	87	116.7 Å²	116.7	61%	0.608	65%	0.652	S	S	*	*			trans	41.6	136.5	140.4	79	0	0	0	0	122.6
1793	M	23.9	Very low	25.5	Very low	158 Å²	158	116.1 Å²	116.1	78%	0.778	65%	0.648	S	S	*	*				59.9	132.7	126.2	-69	168.5	52.1	0	0	121.4
1794	S	24	Very low	25.4	Very low	102 Å²	102	116.1 Å²	116.1	71%	0.713	65%	0.65	S	S	*	*			trans	76.2	143.6	140.3	86.5	0	0	0	0	114.5
1795	V	23.5	Very low	25.4	Very low	112 Å²	112	119.4 Å²	119.4	68%	0.679	66%	0.66	S	S	*	*			cis	129.7	118.6	40.8	145	0	0	0	0	105.3
1796	Y	23.5	Very low	25.4	Very low	223 Å²	223	116.5 Å²	116.5	88%	0.875	65%	0.652	S	S	*	*			trans	68.2	164.9	154.1	-82.2	-120.7	0	0	0	122
1797	E	24.3	Very low	25.4	Very low	151 Å²	151	118.6 Å²	118.6	71%	0.706	65%	0.653	S	S	*	*			trans	-66.3	-161.5	164.6	-118.1	-168.6	-176.1	0	0	113.5
1798	P	32.4	Very low	25.4	Very low	43 Å²	43	115.7 Å²	115.7	28%	0.279	65%	0.649	S	S	.	*			cis	-134.5	-37.4	-16.9	22	0.9	0	0	0	122.4	V629 P630	V629-P1798 VanDerWaalsContact CG2-CD 3.45Å; P630-P1798 CarbonylContact C-O 3.59Å; P630-P1798 VanDerWaalsContact CD-C 3.47Å; P630-P1798 WeakPolarHBondContact CD-O 3.04Å; P630-P1798 VanDerWaalsContact N-C 3.33Å; P630-P1798 VanDerWaalsContact N-O 3.13Å
1799	F	24	Very low	25.5	Very low	100 Å²	100	119.9 Å²	119.9	44%	0.439	65%	0.648	S	S	.	*			trans	-144.9	109.4	-147	-69.1	-39.7	0	0	0	126	V629 P630 K631	V629-F1799 VanDerWaalsContact CA-N 3.3Å; V629-F1799 HydrophobicContact CG1-CB 4.19Å; V629-F1799 VanDerWaalsContact CG1-N 3.29Å; V629-F1799 WeakPolarHBondContact CG1-O 3.25Å; V629-F1799 CarbonylContact O-C 3.48Å; P630-F1799 VanDerWaalsContact N-N 3.19Å; K631-F1799 HydrophobicContact CB-CB 3.73Å; K631-F1799 HydrophobicContact CB-CD1 3.56Å; K631-F1799 HydrophobicContact CB-CG 4Å; K631-F1799 HydrophobicContact CD-CB 3.93Å; K631-F1799 HydrophobicContact CD-CD1 3.74Å; K631-F1799 HydrophobicContact CD-CD2 4.43Å; K631-F1799 HydrophobicContact CD-CE1 4.26Å; K631-F1799 HydrophobicContact CD-CG 3.82Å; K631-F1799 HydrophobicContact CG-CB 4.17Å; K631-F1799 HydrophobicContact CG-CD1 3.4Å; K631-F1799 VanDerWaalsContact CG-CD1 3.4Å; K631-F1799 HydrophobicContact CG-CE1 3.94Å; K631-F1799 HydrophobicContact CG-CG 3.97Å
1800	K	23.7	Very low	25.5	Very low	111 Å²	111	118.9 Å²	118.9	48%	0.483	64%	0.642	S	S	.	*			trans	109.2	143.2	157.3	-70.7	-176.3	150	-75	0	118.5	V629 P630 K631	V629-K1800 VanDerWaalsContact C-N 3.32Å; V629-K1800 CarbonylContact O-C 3.56Å; V629-K1800 VanDerWaalsContact O-C 3.31Å; V629-K1800 PolarHBondContact O-N 2.83Å; P630-K1800 VanDerWaalsContact C-N 3.3Å; K631-K1800 HydrophobicContact CB-CB 4.36Å; K631-K1800 HydrophobicContact CB-CG 3.49Å; K631-K1800 VanDerWaalsContact CB-CG 3.49Å; K631-K1800 HydrophobicContact CD-CD 4.11Å; K631-K1800 HydrophobicContact CD-CG 3.82Å; K631-K1800 HydrophobicContact CG-CG 4.22Å
1801	D	25.6	Very low	25.5	Very low	92 Å²	92	120 Å²	120	49%	0.492	65%	0.649	S	S	.	*			cis	-161.4	171.4	8.9	-117.9	-20.7	0	0	0	113.1
1802	N	23.4	Very low	25.5	Very low	87 Å²	87	118.4 Å²	118.4	47%	0.465	65%	0.649	S	S	.	*			trans	-8.4	177.5	158.8	-49.6	-58.3	0	0	0	124.1	K632	K632-N1802 WeakPolarHBondContact CE-OD1 3.07Å; K632-N1802 PolarHBondContact NZ-OD1 3.39Å
1803	I	24.8	Very low	25.4	Very low	152 Å²	152	120.9 Å²	120.9	78%	0.779	66%	0.66	S	S	*	*			trans	88.3	87.7	167.5	-50.4	174.7	0	0	0	112.4
1804	S	22.2	Very low	25.6	Very low	94 Å²	94	120.9 Å²	120.9	66%	0.657	66%	0.662	S	S	*	*			cis	87.4	153	47.2	82.9	0	0	0	0	114.7
1805	L	24.4	Very low	25.7	Very low	161 Å²	161	120.4 Å²	120.4	84%	0.843	66%	0.659	S	S	*	*			trans	89.9	137.1	-174.4	-56.2	166.6	0	0	0	113.6
1806	S	25.5	Very low	25.9	Very low	89 Å²	89	123.1 Å²	123.1	62%	0.622	66%	0.663	S	S	*	*			cis	-169.8	144.5	-14.8	46.1	0	0	0	0	110.9
1807	E	26	Very low	25.9	Very low	159 Å²	159	120 Å²	120	74%	0.743	66%	0.659	S	S	*	*			trans	48.1	126.4	152	-61.2	179.9	-133.9	0	0	119.6	K1809	E1807-K1809 IonicContact OE2-NZ 3.83Å; E1807-K1809 PolarHBondContact OE2-NZ 2.82Å
1808	G	27.1	Very low	26	Very low	67 Å²	67	118.4 Å²	118.4	69%	0.691	66%	0.659	S	S	*	*			cis	128.1	-178.1	7.1	0	0	0	0	0	111.6
1809	K	28.4	Very low	25.7	Very low	156 Å²	156	125.8 Å²	125.8	68%	0.678	69%	0.687	S	S	*	*			trans	72.6	147.6	173.1	-55.6	156.9	-170	150.7	0	114.2	E1807	E1807-K1809 IonicContact OE2-NZ 3.83Å; E1807-K1809 PolarHBondContact OE2-NZ 2.82Å
1810	N	28.5	Very low	25.8	Very low	126 Å²	126	124.3 Å²	124.3	67%	0.674	70%	0.7	S	S	*	*			cis	-162.2	137.3	-11.3	-114.3	3	0	0	0	113.2
1811	T	26.9	Very low	25.9	Very low	116 Å²	116	128.7 Å²	128.7	71%	0.712	72%	0.72	S	S	*	*			trans	58.9	168.7	136.4	64.1	0	0	0	0	123.6
1812	S	27.9	Very low	25.9	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	73%	0.727	S	S	*	*			trans	78.6	76.5	150.9	36.2	0	0	0	0	119.4
1813	T	23.2	Very low	26	Very low	138 Å²	138	131.9 Å²	131.9	85%	0.847	74%	0.739	S	S	*	*			trans	-44.4	139.2	134.3	24.8	0	0	0	0	113.6
1814	I	28.2	Very low	26.3	Very low	158 Å²	158	133 Å²	133	81%	0.81	74%	0.738	S	S	*	*			trans	-173.2	95.7	151.6	-100.9	151.9	0	0	0	105.3
1815	S	27.1	Very low	26.4	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	75%	0.749	S	S	*	*				83.6	109.4	76.2	74.5	0	0	0	0	115
1816	H	26.7	Very low	26.6	Very low	168 Å²	168	137.4 Å²	137.4	78%	0.778	75%	0.747	S	S	*	*			trans	66.2	138.4	148.8	-86.3	-89.6	0	0	0	122.6
1817	M	23.7	Very low	26.5	Very low	159 Å²	159	139.6 Å²	139.6	78%	0.783	75%	0.752	S	S	*	*			trans	86.3	149.7	144.2	-78.3	-177.1	-79.9	0	0	121.6
1818	T	27.1	Very low	26.7	Very low	116 Å²	116	138.9 Å²	138.9	71%	0.712	75%	0.752	S	S	*	*			trans	69.2	105.5	159	38.4	0	0	0	0	121.1
1819	K	25.7	Very low	26.7	Very low	198 Å²	198	142.6 Å²	142.6	86%	0.861	75%	0.751	S	S	*	*				52.2	93.4	120.8	-61.2	177.3	-179.9	177.6	0	118.6
1820	G	26.8	Very low	26.8	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	75%	0.753	S	S	*	*				93.2	144.7	111.4	0	0	0	0	0	120.2
1821	F	23.8	Very low	26.7	Very low	203 Å²	203	143.4 Å²	143.4	89%	0.89	76%	0.755	S	S	*	*			trans	68.5	146.9	157.7	-80.3	-86.2	0	0	0	121.3
1822	S	27.1	Very low	26.7	Very low	93 Å²	93	145.9 Å²	145.9	65%	0.65	76%	0.756	S	S	*	*			trans	74.2	106.5	149.8	59.2	0	0	0	0	121.7
1823	E	25.9	Very low	26.8	Very low	153 Å²	153	146.8 Å²	146.8	72%	0.715	76%	0.76	S	S	*	*				75.8	156	117.9	-65.9	-175.6	172.2	0	0	122.9
1824	K	29.2	Very low	26.9	Very low	174 Å²	174	147 Å²	147	76%	0.757	76%	0.755	S	S	*	*			trans	83.2	102.8	156.7	-75.1	135.7	-179.1	155.1	0	118.8
1825	H	24.7	Very low	27	Very low	190 Å²	190	145.3 Å²	145.3	88%	0.88	76%	0.758	S	S	*	*			trans	-39.9	145.9	149	-53.7	-91.9	0	0	0	113.2
1826	I	28.3	Very low	26.9	Very low	158 Å²	158	148.7 Å²	148.7	81%	0.81	77%	0.768	S	S	*	*			trans	-125.9	142.3	144.6	-64.4	-176.7	0	0	0	107.4	I1828	I1826-I1828 HydrophobicContact CG2-CD1 4.33Å; I1826-I1828 HydrophobicContact CG2-CG1 4.21Å
1827	N	23.9	Very low	27.3	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	76%	0.76	S	S	*	*			trans	-134.9	121.4	-172.5	178.7	0.8	0	0	0	109.2
1828	I	30.6	Very low	27.6	Very low	145 Å²	145	144.1 Å²	144.1	74%	0.744	76%	0.758	S	S	*	*			trans	-138.2	91.3	-179.5	-54.8	179.3	0	0	0	106	I1826	I1826-I1828 HydrophobicContact CG2-CD1 4.33Å; I1826-I1828 HydrophobicContact CG2-CG1 4.21Å
1829	Q	26.8	Very low	27.7	Very low	144 Å²	144	144.5 Å²	144.5	67%	0.673	76%	0.755	S	S	*	*				90.2	134.1	69.2	-81.8	-168.7	3.3	0	0	114.6
1830	N	30.4	Very low	28.1	Very low	133 Å²	133	143.3 Å²	143.3	71%	0.711	75%	0.75	S	S	*	*			trans	84.7	149.7	158.5	-49.8	-41.4	0	0	0	119.8
1831	F	26.5	Very low	28.2	Very low	166 Å²	166	147.2 Å²	147.2	73%	0.728	75%	0.749	S	S	*	*			cis	-173.6	118.4	-46.1	-136.6	-114	0	0	0	110.5
1832	K	26.3	Very low	28.5	Very low	169 Å²	169	145 Å²	145	74%	0.735	75%	0.745	S	S	*	*			trans	59.1	-177.7	153.7	-69.2	-165.9	177.8	-167	0	118.2
1833	P	30.6	Very low	28.7	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	75%	0.745	S	S	*	*			cis	-124.7	-173.6	-10.6	23.7	1.1	0	0	0	115.5
1834	D	26.6	Very low	28.9	Very low	141 Å²	141	144 Å²	144	75%	0.754	75%	0.751	S	S	*	*			trans	-79.7	164.3	-176.5	-39.4	-107	0	0	0	116.4
1835	S	29.1	Very low	29	Very low	123 Å²	123	141.3 Å²	141.3	86%	0.86	75%	0.748	S	S	*	*				148.9	162.8	120.5	64.2	0	0	0	0	118.6
1836	L	25.4	Very low	29.2	Very low	164 Å²	164	139.2 Å²	139.2	86%	0.859	74%	0.739	S	S	*	*			trans	-65.3	-179.1	-174.2	-105.8	74.7	0	0	0	116
1837	P	34.6	Very low	29.4	Very low	96 Å²	96	136.2 Å²	136.2	62%	0.623	73%	0.725	S	S	*	*			cis	-151.4	-167.6	28.7	42.9	-19.9	0	0	0	119.6
1838	N	30.4	Very low	29.8	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	73%	0.727	S	S	*	*			trans	79.1	161.4	152.7	-66	-14.4	0	0	0	121.5
1839	L	30.1	Very low	29.8	Very low	124 Å²	124	139.1 Å²	139.1	65%	0.649	73%	0.725	S	S	*	*			cis	-167.6	136.8	-30.9	-100.7	171.1	0	0	0	112.9
1840	K	32.9	Very low	30	Very low	173 Å²	173	138.2 Å²	138.2	75%	0.752	72%	0.721	S	S	*	*			trans	62.1	170.6	148.4	-72	176	175.8	178.2	0	122.4
1841	Q	28.7	Very low	29.9	Very low	152 Å²	152	139.6 Å²	139.6	71%	0.71	72%	0.723	S	S	*	*			cis	-179.5	163.2	-43.8	-154	177.1	2	0	0	111.8
1842	L	31.1	Very low	30	Very low	156 Å²	156	136.1 Å²	136.1	82%	0.817	72%	0.72	S	S	*	*			trans	78.9	147.9	163.5	-55.2	158.3	0	0	0	117.8
1843	G	30.4	Very low	30	Very low	62 Å²	62	132.3 Å²	132.3	64%	0.639	71%	0.714	S	S	*	*			cis	163.9	175.7	-10.6	0	0	0	0	0	114.6
1844	I	30.9	Very low	29.7	Very low	163 Å²	163	134.3 Å²	134.3	84%	0.836	71%	0.713	S	S	*	*			trans	76.7	138.6	155.2	-65.4	167.8	0	0	0	117.5
1845	V	30.7	Very low	29.9	Very low	117 Å²	117	135 Å²	135	71%	0.709	71%	0.712	S	S	*	*			cis	-156.1	165.7	-9	122.5	0	0	0	0	113.9
1846	E	29.3	Very low	29.8	Very low	147 Å²	147	136.4 Å²	136.4	69%	0.687	70%	0.704	S	S	*	*			trans	-47.2	163.7	173.9	-37.4	164.8	146	0	0	120.2
1847	N	32	Very low	30	Very low	95 Å²	95	135.5 Å²	135.5	51%	0.508	70%	0.699	S	S	.	*				170.2	130.6	95.1	-103.6	-60.2	0	0	0	119.3
1848	K	31.5	Very low	29.6	Very low	175 Å²	175	138.7 Å²	138.7	76%	0.761	71%	0.71	S	S	*	*			trans	60.1	157.5	146.5	-65.9	159.8	179.2	111.7	0	117.5
1849	K	31.5	Very low	29.5	Very low	165 Å²	165	135.3 Å²	135.3	72%	0.717	71%	0.707	S	S	*	*			cis	-158	-174.7	3.3	-135.1	-173.1	172.8	-161.9	0	107.7
1850	H	31.7	Very low	29.4	Very low	126 Å²	126	135 Å²	135	58%	0.583	72%	0.715	S	S	*	*			cis	-150.1	-96.3	5.3	-158.1	-15.5	0	0	0	116.8
1851	Q	27	Very low	29	Very low	162 Å²	162	135.5 Å²	135.5	76%	0.757	72%	0.717	S	S	*	*			trans	-175	168.5	-159.4	-97.4	167.2	-44.8	0	0	108.1
1852	S	28.5	Very low	28.8	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	72%	0.72	S	S	*	*			cis	-167.7	176.2	-1.5	46.1	0	0	0	0	111.2
1853	S	26.2	Very low	28.4	Very low	88 Å²	88	137.2 Å²	137.2	62%	0.615	72%	0.721	S	S	*	*			trans	59.2	150.3	139.9	56.2	0	0	0	0	122
1854	E	26.3	Very low	28.2	Very low	162 Å²	162	140.6 Å²	140.6	76%	0.757	72%	0.719	S	S	*	*			cis	-174.7	177.8	-15	-107.9	162.9	149.7	0	0	108.4
1855	H	30.2	Very low	27.9	Very low	157 Å²	157	142.5 Å²	142.5	73%	0.727	72%	0.717	S	S	*	*			trans	66.7	155.8	161.3	-67.6	-76	0	0	0	120.1
1856	E	26.6	Very low	27.6	Very low	151 Å²	151	141.8 Å²	141.8	71%	0.706	72%	0.717	S	S	*	*			cis	-170.4	-179.1	-35.3	-152.7	171.4	-171.1	0	0	110.7
1857	I	28.8	Very low	27.4	Very low	146 Å²	146	139.9 Å²	139.9	75%	0.749	72%	0.716	S	S	*	*			trans	94.5	137.4	153.7	-66.2	155.9	0	0	0	119.7
1858	L	27.8	Very low	27.1	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	73%	0.731	S	S	*	*			trans	-70.2	169.4	-179.3	-61.1	64.2	0	0	0	112.3
1859	G	28.1	Very low	26.9	Very low	64 Å²	64	137.2 Å²	137.2	66%	0.66	72%	0.721	S	S	*	*			cis	147.2	167	-4.7	0	0	0	0	0	113.6
1860	S	26.4	Very low	26.7	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	73%	0.726	S	S	*	*			trans	83.3	130.5	164.7	85	0	0	0	0	122.2
1861	K	26.5	Very low	26.4	Very low	185 Å²	185	136.8 Å²	136.8	80%	0.804	73%	0.726	S	S	*	*			trans	66.7	100.7	138.4	-72.2	-179.4	178.8	177.5	0	123.3
1862	T	24.3	Very low	26.5	Very low	125 Å²	125	136 Å²	136	77%	0.767	72%	0.72	S	S	*	*				70.7	125.1	125.7	54.3	0	0	0	0	123.5
1863	R	22.7	Very low	26.4	Very low	219 Å²	219	138.3 Å²	138.3	83%	0.826	73%	0.725	S	S	*	*			trans	88.7	122.7	136.3	-87.2	-176.7	176.9	-172	0.3	121.4
1864	H	26.3	Very low	26.4	Very low	132 Å²	132	138.4 Å²	138.4	61%	0.611	73%	0.726	S	S	*	*			trans	86.8	110.2	141.8	-71.2	-54.3	0	0	0	122.4
1865	Y	24.4	Very low	26.4	Very low	203 Å²	203	135.2 Å²	135.2	80%	0.796	72%	0.721	S	S	*	*			trans	71	138.2	135.1	-78.7	-64.7	0	0	0	122.4
1866	S	24.2	Very low	26.3	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	72%	0.717	S	S	*	*			trans	64.2	149.8	148.6	51.7	0	0	0	0	118.9
1867	T	25.1	Very low	26.3	Very low	108 Å²	108	131.8 Å²	131.8	66%	0.663	72%	0.718	S	S	*	*			cis	-167.6	165.4	-26.1	27	0	0	0	0	105.7
1868	T	25.1	Very low	26.1	Very low	132 Å²	132	130.5 Å²	130.5	81%	0.81	71%	0.712	S	S	*	*			trans	62.1	160.4	163.7	39.1	0	0	0	0	115.5
1869	S	26.4	Very low	26.2	Very low	81 Å²	81	132.4 Å²	132.4	57%	0.566	71%	0.709	S	S	*	*			cis	-161	166.5	-18.2	42.7	0	0	0	0	107.7
1870	E	27.8	Very low	26	Very low	172 Å²	172	132.5 Å²	132.5	80%	0.804	71%	0.71	S	S	*	*			trans	65.3	153.5	149.9	-78.4	164	-124.6	0	0	118.9
1871	D	26.7	Very low	26.2	Very low	111 Å²	111	131.8 Å²	131.8	59%	0.594	70%	0.703	S	S	*	*			cis	-161.5	177.1	-28.2	-151.8	-9.7	0	0	0	110.2
1872	K	28.5	Very low	26.3	Very low	145 Å²	145	131.5 Å²	131.5	63%	0.63	70%	0.704	S	S	*	*			trans	57.8	127.3	147.4	-77.4	174	-170.4	79.8	0	121
1873	N	26.4	Very low	26.4	Very low	141 Å²	141	129.1 Å²	129.1	75%	0.754	70%	0.697	S	S	*	*				71.5	153.7	128.5	-63.6	5.9	0	0	0	119.5
1874	S	26.2	Very low	26.5	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	70%	0.695	S	S	*	*			cis	-165.3	148.4	-18.7	46.7	0	0	0	0	110.4
1875	S	26	Very low	26.4	Very low	95 Å²	95	125.6 Å²	125.6	66%	0.664	70%	0.698	S	S	*	*			trans	59.9	-179.3	146.3	75.3	0	0	0	0	116.4
1876	D	27.6	Very low	26.4	Very low	121 Å²	121	121.5 Å²	121.5	65%	0.647	69%	0.694	S	S	*	*			cis	-150.6	142.5	6.1	-115.3	-40.9	0	0	0	111.1
1877	T	26.2	Very low	26.4	Very low	116 Å²	116	122.6 Å²	122.6	71%	0.712	70%	0.696	S	S	*	*			trans	65.4	170.1	143.5	68.9	0	0	0	0	120.6
1878	L	25.7	Very low	26.4	Very low	119 Å²	119	123.1 Å²	123.1	62%	0.623	70%	0.699	S	S	*	*			cis	-157.1	174.6	-7	-126.6	160.6	0	0	0	111.5
1879	Y	28.7	Very low	26.4	Very low	202 Å²	202	124 Å²	124	79%	0.792	70%	0.699	S	S	*	*			trans	76.4	117.8	163	-63.5	-65.2	0	0	0	120.8
1880	G	25.2	Very low	26.8	Very low	67 Å²	67	124.2 Å²	124.2	69%	0.691	70%	0.699	S	S	*	*			trans	-93.3	-128.4	148.9	0	0	0	0	0	109.7
1881	P	30.9	Very low	26.7	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	70%	0.699	S	S	*	*			cis	-138.4	-167.1	-1.4	25.6	1.5	0	0	0	114
1882	H	27.8	Very low	26.7	Very low	180 Å²	180	125.4 Å²	125.4	83%	0.833	70%	0.702	S	S	*	*			trans	71.1	154	160.3	-59.1	-51.5	0	0	0	119.3
1883	A	27.6	Very low	26.6	Very low	75 Å²	75	124.7 Å²	124.7	62%	0.62	71%	0.71	S	S	*	*			cis	-166.6	154.5	-23	0	0	0	0	0	112.9
1884	L	23.4	Very low	26.5	Very low	149 Å²	149	122 Å²	122	78%	0.78	70%	0.699	S	S	*	*			trans	60.1	128.6	145.1	-70.3	164.2	0	0	0	122.9
1885	N	25	Very low	26.5	Very low	128 Å²	128	127.8 Å²	127.8	68%	0.684	71%	0.708	S	S	*	*			trans	94.1	110.8	132.3	-74.1	-0.7	0	0	0	123.5
1886	T	23.9	Very low	26.5	Very low	117 Å²	117	128.1 Å²	128.1	72%	0.718	71%	0.708	S	S	*	*				82.7	123.9	125.3	55.1	0	0	0	0	123
1887	V	24.2	Very low	26.3	Very low	124 Å²	124	128.6 Å²	128.6	75%	0.752	72%	0.715	S	S	*	*				99.9	111.1	126.4	160.4	0	0	0	0	120.6
1888	T	25.3	Very low	26.3	Very low	119 Å²	119	124.3 Å²	124.3	73%	0.73	69%	0.692	S	S	*	*			trans	68.2	109.6	146.7	55.2	0	0	0	0	124.6
1889	N	25	Very low	26.2	Very low	151 Å²	151	121.6 Å²	121.6	81%	0.807	68%	0.678	S	S	*	*				74.1	169.9	106	-113.4	27.7	0	0	0	120.3
1890	P	34.8	Very low	26.2	Very low	85 Å²	85	113.1 Å²	113.1	55%	0.552	65%	0.645	S	S	*	*				-138.3	-150.2	-115.8	42.9	-19.3	0	0	0	114.6
1891	F	25.3	Very low	26.3	Very low	183 Å²	183	113.5 Å²	113.5	80%	0.803	63%	0.632	S	S	*	*			trans	72.1	142.1	-175.5	-55.1	-80.1	0	0	0	113.7
1892	D	26.4	Very low	26.1	Very low	126 Å²	126	114.2 Å²	114.2	67%	0.674	63%	0.63	S	S	*	*			cis	-132.7	-149.6	-6.3	-137.5	-42.9	0	0	0	108.9
1893	V	26.6	Very low	25.9	Very low	130 Å²	130	109.1 Å²	109.1	79%	0.788	61%	0.608	S	S	*	*			cis	-139	152.9	14.7	-168.9	0	0	0	0	110
1894	T	25.7	Very low	25.7	Very low	85 Å²	85	108.2 Å²	108.2	52%	0.521	60%	0.595	S	S	.	*			trans	-68.2	168.4	171.1	50	0	0	0	0	113.6
1895	Y	26.4	Very low	25.8	Very low	211 Å²	211	101.8 Å²	101.8	83%	0.827	56%	0.561	S	S	*	*				-171.1	177.6	59.9	-108	-47.6	0	0	0	111.3
1896	P	26	Very low	26	Very low	102 Å²	102	97.9 Å²	97.9	66%	0.662	54%	0.539	S	S	*	.				-112	162	-121.8	41.6	-32.4	0	0	0	116.6
1897	T	21.8	Very low	26.3	Very low	130 Å²	130	94.5 Å²	94.5	80%	0.798	52%	0.516	S	S	*	.			trans	-99	152.5	155.3	49.1	0	0	0	0	110.9
1898	A	26.9	Very low	26.3	Very low	26 Å²	26	95.6 Å²	95.6	22%	0.215	52%	0.518	C	S	.	.				146.8	175.3	114.4	0	0	0	0	0	114.2	R1178	R1178-A1898 VanDerWaalsContact CB-O 3.25Å; R1178-A1898 WeakPolarHBondContact CB-O 3.49Å; R1178-A1898 VanDerWaalsContact CG-O 3.24Å; R1178-A1898 WeakPolarHBondContact CG-O 3.36Å; R1178-A1898 PolarHBondContact N-O 3.13Å
1899	N	24	Very low	26.3	Very low	62 Å²	62	95 Å²	95	33%	0.332	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-119.7	144.1	-164.1	-55.9	-49.6	0	0	0	111.2	I1175 L1176 P1177 R1178	I1175-N1899 HydrophobicContact CG2-CB 4.3Å; I1175-N1899 WeakPolarHBondContact CG2-ND2 3.46Å; I1175-N1899 VanDerWaalsContact CG2-OD1 3.26Å; I1175-N1899 WeakPolarHBondContact CG2-OD1 3.44Å; L1176-N1899 WeakPolarHBondContact O-CA 3.34Å; L1176-N1899 WeakPolarHBondContact O-CB 3.41Å; L1176-N1899 PolarHBondContact O-OD1 3.12Å; P1177-N1899 WeakPolarHBondContact CA-OD1 3.49Å; R1178-N1899 VanDerWaalsContact CG-C 3.47Å; R1178-N1899 VanDerWaalsContact CZ-O 3.23Å; R1178-N1899 VanDerWaalsContact NE-C 3.27Å; R1178-N1899 PolarHBondContact NE-O 2.94Å; R1178-N1899 PolarHBondContact NH2-O 2.84Å
1900	H	27.8	Very low	26.6	Very low	24 Å²	24	90.3 Å²	90.3	11%	0.111	50%	0.496	C	S	.	.			trans	-164.1	134.7	164.7	-94.4	-25.8	0	0	0	116.5	M902 E903 I907 L1176 R1178 R1183	M902-H1900 PolarHBondContact O-CD2 2.96Å; M902-H1900 PolarHBondContact O-NE2 2.98Å; E903-H1900 WeakPolarHBondContact CA-NE2 3.38Å; E903-H1900 WeakPolarHBondContact CB-CE1 3.27Å; E903-H1900 WeakPolarHBondContact CB-NE2 3.47Å; E903-H1900 WeakPolarHBondContact CG-NE2 3.37Å; E903-H1900 PolarHBondContact N-NE2 3.12Å; E903-H1900 VanDerWaalsContact N-NE2 3.12Å; E903-H1900 IonicContact OE1-CD2 3.62Å; E903-H1900 IonicContact OE1-CE1 3.78Å; E903-H1900 IonicContact OE1-NE2 3.54Å; E903-H1900 PolarHBondContact OE1-NE2 3.25Å; E903-H1900 IonicContact OE2-CE1 3.52Å; E903-H1900 PolarHBondContact OE2-CE1 2.97Å; E903-H1900 IonicContact OE2-NE2 3.84Å; E903-H1900 PolarHBondContact OE2-NE2 3.25Å; I907-H1900 WeakPolarHBondContact CD1-CE1 3.46Å; L1176-H1900 PolarHBondContact O-N 2.72Å; R1178-H1900 HydrophobicContact CG-CB 3.99Å; R1178-H1900 VanDerWaalsContact CZ-NE2 3.27Å; R1178-H1900 PolarHBondContact NE-CD2 3.08Å; R1178-H1900 VanDerWaalsContact NE-CD2 3.27Å; R1178-H1900 PolarHBondContact NH1-NE2 3.02Å; R1178-H1900 PolarHBondContact NH2-CD2 3.42Å; R1178-H1900 PolarHBondContact NH2-NE2 3.1Å; R1183-H1900 PolarHBondContact NH2-O 3.02Å
1901	N	28.8	Very low	26.4	Very low	76 Å²	76	93.2 Å²	93.2	41%	0.406	50%	0.5	S	S	.	.			trans	61	109.2	135	-52.1	-16.3	0	0	0	116.3
1902	N	25	Very low	26.7	Very low	116 Å²	116	94 Å²	94	62%	0.62	50%	0.498	S	S	*	.			cis	60.1	133.9	34.6	-70.7	6.5	0	0	0	115.3
1903	I	23.9	Very low	27.2	Very low	73 Å²	73	93.4 Å²	93.4	37%	0.374	50%	0.495	S	S	.	.			trans	-148.2	134.9	-173.4	-81.6	162.1	0	0	0	107.5	R831 L1342	R831-I1903 HydrophobicContact CB-CB 4.43Å; R831-I1903 HydrophobicContact CB-CD1 4.42Å; R831-I1903 HydrophobicContact CB-CG1 4.11Å; R831-I1903 HydrophobicContact CB-CG2 3.57Å; R831-I1903 HydrophobicContact CG-CG2 3.57Å; L1342-I1903 HydrophobicContact CD2-CG2 4.35Å
1904	T	24.5	Very low	27.5	Very low	55 Å²	55	92.2 Å²	92.2	34%	0.337	48%	0.483	S	S	.	.			trans	-140.1	150.9	178.7	38.3	0	0	0	0	111.5	E833	E833-T1904 WeakPolarHBondContact CG-OG1 3.46Å; E833-T1904 WeakPolarHBondContact OE1-CB 3.45Å; E833-T1904 PolarHBondContact OE1-OG1 3.18Å
1905	M	25.1	Very low	27.9	Very low	14 Å²	14	91.9 Å²	91.9	7%	0.069	48%	0.478	C	S	.	.			trans	-174.8	162.3	-177.7	-96.8	-72.2	93.2	0	0	108.6	L830 P1345 N1907	L830-M1905 HydrophobicContact CB-CG 4.24Å; L830-M1905 HydrophobicContact CB-SD 3.85Å; L830-M1905 HydrophobicContact CD2-SD 4.19Å; L830-M1905 WeakPolarHBondContact O-CE 3.4Å; L830-M1905 WeakPolarHBondContact O-CG 3.47Å; P1345-M1905 HydrophobicContact CG-SD 4.2Å; M1905-N1907 VanDerWaalsContact CE-CG 3.48Å; M1905-N1907 WeakPolarHBondContact CE-OD1 3.32Å; M1905-N1907 PolarHBondContact SD-ND2 2.94Å
1906	E	29.5	Very low	28.4	Very low	46 Å²	46	86.6 Å²	86.6	22%	0.215	46%	0.464	C	S	.	.			cis	-71	174.4	-17.1	-85.1	156.4	146.3	0	0	110.4	W1021 T1343 P1345 K1363	W1021-E1906 HydrophobicContact CD2-CB 4.36Å; W1021-E1906 HydrophobicContact CE3-CB 4.39Å; W1021-E1906 VanDerWaalsContact CH2-C 3.41Å; W1021-E1906 HydrophobicContact CH2-CB 3.52Å; W1021-E1906 WeakPolarHBondContact CH2-O 3.36Å; W1021-E1906 VanDerWaalsContact CZ2-C 3.47Å; W1021-E1906 HydrophobicContact CZ2-CB 3.45Å; W1021-E1906 VanDerWaalsContact CZ2-CB 3.45Å; W1021-E1906 VanDerWaalsContact CZ2-N 3.3Å; W1021-E1906 VanDerWaalsContact CZ2-O 3.28Å; W1021-E1906 WeakPolarHBondContact CZ2-O 3.44Å; W1021-E1906 HydrophobicContact CZ3-CB 3.99Å; T1343-E1906 WeakPolarHBondContact CB-OE2 3.36Å; T1343-E1906 WeakPolarHBondContact CG2-OE1 3.25Å; T1343-E1906 VanDerWaalsContact CG2-OE2 3.22Å; T1343-E1906 WeakPolarHBondContact CG2-OE2 3.48Å; T1343-E1906 PolarHBondContact OG1-OE2 3.17Å; P1345-E1906 HydrophobicContact CG-CG 3.91Å; K1363-E1906 IonicContact NZ-OE2 3.25Å
1907	N	28.7	Very low	28.9	Very low	47 Å²	47	86.6 Å²	86.6	25%	0.251	46%	0.457	S	S	.	.			cis	81	102.6	29.3	-61.7	-29.7	0	0	0	117.3	P834 M1905	P834-N1907 WeakPolarHBondContact CG-OD1 3.46Å; M1905-N1907 VanDerWaalsContact CE-CG 3.48Å; M1905-N1907 WeakPolarHBondContact CE-OD1 3.32Å; M1905-N1907 PolarHBondContact SD-ND2 2.94Å
1908	D	25.2	Very low	29.6	Very low	146 Å²	146	83.9 Å²	83.9	78%	0.781	44%	0.437	S	S	*	.				-156.3	170.3	127.9	-137.6	-28.4	0	0	0	114.8
1909	V	26	Very low	29.9	Very low	108 Å²	108	88 Å²	88	66%	0.655	45%	0.448	S	S	*	.	S	Bend	trans	67.1	32.1	171.8	-148.9	0	0	0	0	117.6	R1069	R1069-V1909 VanDerWaalsContact CZ-O 3.25Å; R1069-V1909 PolarHBondContact NH1-O 3.47Å; R1069-V1909 PolarHBondContact NH2-O 2.99Å
1910	A	30.3	Very low	30.7	Very low	51 Å²	51	88.3 Å²	88.3	42%	0.421	46%	0.459	S	S	.	.	S	Bend	trans	-136.8	0.2	173.2	0	0	0	0	0	116.4
1911	F	30	Very low	30.8	Very low	146 Å²	146	91.5 Å²	91.5	64%	0.64	48%	0.477	S	S	*	.	S	Bend	trans	-114.8	17.1	-167.5	-104.7	-80	0	0	0	115.9	N1915	F1911-N1915 PolarHBondContact O-ND2 3.17Å
1912	R	31.7	Very low	31.1	Very low	199 Å²	199	94.2 Å²	94.2	75%	0.751	49%	0.491	S	S	*	.	S	Bend	trans	-89.5	-63.2	172.7	-95.2	-174.3	170.7	141.8	3.2	112.8	I1914 N1915 D1916	R1912-I1914 PolarHBondContact O-N 2.95Å; R1912-N1915 CarbonylContact O-C 3.58Å; R1912-N1915 WeakPolarHBondContact O-CA 3.29Å; R1912-N1915 WeakPolarHBondContact O-CB 3.2Å; R1912-N1915 PolarHBondContact O-N 3.13Å; R1912-D1916 PolarHBondContact O-N 3.13Å
1913	D	36.7	Very low	31.5	Very low	114 Å²	114	93.9 Å²	93.9	61%	0.61	49%	0.489	S	S	*	.	H	α-helix	trans	-55	-35.8	-166.9	-42.5	-20.3	0	0	0	113.7	I1917	D1913-I1917 WeakPolarHBondContact O-CB 3.32Å; D1913-I1917 WeakPolarHBondContact O-CD1 3.29Å; D1913-I1917 VanDerWaalsContact O-CG1 3.27Å; D1913-I1917 WeakPolarHBondContact O-CG1 3.35Å; D1913-I1917 PolarHBondContact O-N 2.87Å
1914	I	33.5	Very low	31.8	Very low	106 Å²	106	97.6 Å²	97.6	54%	0.544	51%	0.509	S	S	.	.	H	α-helix	trans	-74	-34.9	176	-65.1	175.9	0	0	0	112.2	R1912 I1918	R1912-I1914 PolarHBondContact O-N 2.95Å; I1914-I1918 HydrophobicContact CG2-CD1 3.79Å; I1914-I1918 HydrophobicContact CG2-CG1 4.46Å; I1914-I1918 WeakPolarHBondContact O-CB 3.38Å; I1914-I1918 VanDerWaalsContact O-CG1 3.23Å; I1914-I1918 WeakPolarHBondContact O-CG1 3.14Å; I1914-I1918 PolarHBondContact O-N 3.45Å
1915	N	34.2	Very low	32.1	Very low	78 Å²	78	102.2 Å²	102.2	42%	0.417	53%	0.532	S	S	.	.	H	α-helix	trans	-70.8	-37	173.2	-83.5	-48.9	0	0	0	111.5	F1911 R1912 I1918 Y1919	F1911-N1915 PolarHBondContact O-ND2 3.17Å; R1912-N1915 CarbonylContact O-C 3.58Å; R1912-N1915 WeakPolarHBondContact O-CA 3.29Å; R1912-N1915 WeakPolarHBondContact O-CB 3.2Å; R1912-N1915 PolarHBondContact O-N 3.13Å; N1915-I1918 PolarHBondContact O-N 3.46Å; N1915-Y1919 WeakPolarHBondContact O-CB 3.47Å; N1915-Y1919 PolarHBondContact O-N 3.12Å
1916	D	37.6	Very low	32.3	Very low	100 Å²	100	107 Å²	107	54%	0.535	56%	0.562	S	S	.	*	H	α-helix	trans	-66.1	-40.4	175.7	-65.8	-36.8	0	0	0	111.1	R1912 Y1919 A1920	R1912-D1916 PolarHBondContact O-N 3.13Å; D1916-Y1919 PolarHBondContact O-N 3.44Å; D1916-A1920 WeakPolarHBondContact O-CB 3.39Å; D1916-A1920 PolarHBondContact O-N 3.36Å
1917	I	36.2	Very low	32.2	Very low	102 Å²	102	111.3 Å²	111.3	52%	0.523	59%	0.587	S	S	.	*	H	α-helix	trans	-64.1	-42.8	171.1	-70.9	166.5	0	0	0	111.4	D1913 A1920 L1921	D1913-I1917 WeakPolarHBondContact O-CB 3.32Å; D1913-I1917 WeakPolarHBondContact O-CD1 3.29Å; D1913-I1917 VanDerWaalsContact O-CG1 3.27Å; D1913-I1917 WeakPolarHBondContact O-CG1 3.35Å; D1913-I1917 PolarHBondContact O-N 2.87Å; I1917-A1920 PolarHBondContact O-N 3.36Å; I1917-L1921 HydrophobicContact CG2-CD1 3.81Å; I1917-L1921 HydrophobicContact CG2-CG 4.46Å; I1917-L1921 WeakPolarHBondContact O-CB 3.01Å; I1917-L1921 VanDerWaalsContact O-CG 3.25Å; I1917-L1921 WeakPolarHBondContact O-CG 3.39Å; I1917-L1921 PolarHBondContact O-N 2.87Å
1918	I	35.6	Very low	32.3	Very low	73 Å²	73	118 Å²	118	37%	0.374	61%	0.614	S	S	.	*	H	α-helix	trans	-71.4	-31.9	179.4	-72.1	172.4	0	0	0	111.9	I1914 N1915 L1921 L1922	I1914-I1918 HydrophobicContact CG2-CD1 3.79Å; I1914-I1918 HydrophobicContact CG2-CG1 4.46Å; I1914-I1918 WeakPolarHBondContact O-CB 3.38Å; I1914-I1918 VanDerWaalsContact O-CG1 3.23Å; I1914-I1918 WeakPolarHBondContact O-CG1 3.14Å; I1914-I1918 PolarHBondContact O-N 3.45Å; N1915-I1918 PolarHBondContact O-N 3.46Å; I1918-L1921 PolarHBondContact O-N 3.23Å; I1918-L1922 HydrophobicContact CG2-CD1 3.63Å; I1918-L1922 HydrophobicContact CG2-CG 4.33Å; I1918-L1922 VanDerWaalsContact O-CB 3.28Å; I1918-L1922 WeakPolarHBondContact O-CB 3.41Å; I1918-L1922 VanDerWaalsContact O-CG 3.24Å; I1918-L1922 WeakPolarHBondContact O-CG 3.45Å; I1918-L1922 PolarHBondContact O-N 3.16Å; I1918-L1922 VanDerWaalsContact O-N 3.09Å
1919	Y	34.5	Very low	32.3	Very low	111 Å²	111	117.5 Å²	117.5	44%	0.435	61%	0.611	S	S	.	*	H	α-helix	trans	-70	-38.7	170.8	-103.1	-113.4	0	0	0	111.9	D1511 N1915 D1916 L1921 L1922 N1923	D1511-Y1919 PolarHBondContact OD2-OH 3.4Å; N1915-Y1919 WeakPolarHBondContact O-CB 3.47Å; N1915-Y1919 PolarHBondContact O-N 3.12Å; D1916-Y1919 PolarHBondContact O-N 3.44Å; Y1919-L1921 VanDerWaalsContact C-N 3.29Å; Y1919-L1921 PolarHBondContact O-N 3.27Å; Y1919-L1922 PolarHBondContact O-N 3.19Å; Y1919-N1923 WeakPolarHBondContact CD1-ND2 3.33Å; Y1919-N1923 PolarHBondContact O-N 3.42Å; Y1919-N1923 PolarHBondContact O-ND2 2.71Å
1920	A	39.6	Very low	32.3	Very low	69 Å²	69	120.1 Å²	120.1	57%	0.57	62%	0.615	S	S	*	*	H	α-helix	trans	-62.6	-36.2	171.9	0	0	0	0	0	112	D1916 I1917	D1916-A1920 WeakPolarHBondContact O-CB 3.39Å; D1916-A1920 PolarHBondContact O-N 3.36Å; I1917-A1920 PolarHBondContact O-N 3.36Å
1921	L	31.1	Very low	32.1	Very low	92 Å²	92	128.7 Å²	128.7	48%	0.482	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-6.4	178.3	-69.3	172.1	0	0	0	115.1	I1917 I1918 Y1919	I1917-L1921 HydrophobicContact CG2-CD1 3.81Å; I1917-L1921 HydrophobicContact CG2-CG 4.46Å; I1917-L1921 WeakPolarHBondContact O-CB 3.01Å; I1917-L1921 VanDerWaalsContact O-CG 3.25Å; I1917-L1921 WeakPolarHBondContact O-CG 3.39Å; I1917-L1921 PolarHBondContact O-N 2.87Å; I1918-L1921 PolarHBondContact O-N 3.23Å; Y1919-L1921 VanDerWaalsContact C-N 3.29Å; Y1919-L1921 PolarHBondContact O-N 3.27Å
1922	L	33.7	Very low	32.2	Very low	133 Å²	133	127.8 Å²	127.8	70%	0.696	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	-3.7	-178.3	-71.6	176.8	0	0	0	114.9	I1918 Y1919	I1918-L1922 HydrophobicContact CG2-CD1 3.63Å; I1918-L1922 HydrophobicContact CG2-CG 4.33Å; I1918-L1922 VanDerWaalsContact O-CB 3.28Å; I1918-L1922 WeakPolarHBondContact O-CB 3.41Å; I1918-L1922 VanDerWaalsContact O-CG 3.24Å; I1918-L1922 WeakPolarHBondContact O-CG 3.45Å; I1918-L1922 PolarHBondContact O-N 3.16Å; I1918-L1922 VanDerWaalsContact O-N 3.09Å; Y1919-L1922 PolarHBondContact O-N 3.19Å
1923	N	33.8	Very low	32.2	Very low	109 Å²	109	124.1 Å²	124.1	58%	0.583	65%	0.65	S	S	*	*	S	Bend	trans	-117.7	0.6	-179.7	-68.7	-77.9	0	0	0	114.7	Y1919 D1925	Y1919-N1923 WeakPolarHBondContact CD1-ND2 3.33Å; Y1919-N1923 PolarHBondContact O-N 3.42Å; Y1919-N1923 PolarHBondContact O-ND2 2.71Å; N1923-D1925 PolarHBondContact O-N 3.39Å
1924	D	31.5	Very low	32	Very low	151 Å²	151	124.6 Å²	124.6	81%	0.807	65%	0.652	S	S	*	*			trans	-83.1	57.3	-177.6	-154.8	24.8	0	0	0	112.5
1925	D	30	Very low	31.9	Very low	151 Å²	151	125.7 Å²	125.7	81%	0.807	66%	0.658	S	S	*	*			trans	-101.6	76.8	-178.5	-163	8.6	0	0	0	110.6	N1923	N1923-D1925 PolarHBondContact O-N 3.39Å
1926	T	29.8	Very low	31.7	Very low	114 Å²	114	128.7 Å²	128.7	70%	0.699	67%	0.673	S	S	*	*			trans	-164.8	108.4	155	10.2	0	0	0	0	115.7
1927	N	27.7	Very low	31.3	Very low	138 Å²	138	130.6 Å²	130.6	74%	0.738	68%	0.683	S	S	*	*			trans	43.6	97.7	138	-66.7	-49.2	0	0	0	120.2
1928	K	29.4	Very low	31	Very low	188 Å²	188	132.6 Å²	132.6	82%	0.817	69%	0.694	S	S	*	*				176.8	129	103	-92.8	151.1	-169.7	167.3	0	115.5
1929	N	25	Very low	30.6	Very low	135 Å²	135	137.2 Å²	137.2	72%	0.722	72%	0.719	S	S	*	*			trans	49.1	130.9	135.9	-57	5.1	0	0	0	122.7
1930	H	25.9	Very low	30.3	Very low	162 Å²	162	139.4 Å²	139.4	75%	0.75	74%	0.742	S	S	*	*			trans	95.4	105.7	153	-64.1	-60.3	0	0	0	119.8
1931	N	26.5	Very low	29.5	Very low	231 Å²	231	145.8 Å²	145.8	100%	1.235	76%	0.758	S	S	*	*			trans	70.1	0	154.2	-59.2	3.2	0	0	0	117.6

Retrieved 1,931 of 1,931 residues in 2517.5 ms (Link to these results)

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