A0A077D360_MAIZE Loading...

Cellulose synthase

AlphaFold DB , UniProt , Accession A0A077D360, Species MAIZE (Zea mays, Maize), Gene LOC103647435, Length 1,052 aa.

						>A0A077D360_MAIZE|A0A077D360|LOC103647435
MEANAGLVAGSHNRNELVLIRGHEDPKPLRALSGQVCEICGDEVGLTVDGDLFVACNECGFPVCRPCYEYERREGTQNCPQCKTRYKRLKGSPRVAGDDDEEDIDDLEHEFNIDDEKQRQLEGNMQNSQITEAMLHGKMSYGRGADDGEGNNTPQMPPIITGARSVPVSGEFPITNGYGHGELSSSLHKRIHPYPVSEPGSAKWDEKKEVSWKERMDDWKSKQGILGGGGGDPEDMDADVPLNDEARQPLSRKVSIASSKVNPYRMVIVVRLVVLAFFLRYRILHPVPDAIGLWLVSIICEIWFAVSWILDQFPKWFPIDRETYLDRLTLRYEREGEPSLLSSVDLFVSTVDPLKEPPLVTANTVLSILAVDYPVDKVSCYVSDDGASMLTFEALSETAEFARKWVPFCKKFCIEPRAPEFYFSLKVDYLKDKVQPTFVQERRAMKREYEEFKVRINALVAKAMKVPAEGWIMKDGTPWPGNNTRDHPGMIQVFLGHSGGHDTEGNELPRLVYVSREKRPGFQHHKKAGAMNALIRVSAVLTNAPFMLNLDCDHYINNSKAIREAMCFLMDPQVGRKVCYVQFPQRFDGIDMHDRYANRNTVFFDINMKGLDGIQGPVYVGTGCVFRRQALYGYNPPKGPKRPKMVTCDCCPCFGRKKRKDAKDGLPEGTADIGVDSDKEMLMSQMNFEKRFGQSAAFVTSTLMEEGGVPPSSSPAALLKEAIHVISCGYEDKTDWGLELGWIYGSITEDILTGFKMHCRGWRSVYCMPKRAAFKGSAPINLSDRLNQVLRWALGSVEIFFSRHSPLLYGYKNGNLKWLERFAYINTTIYPFTSLPLLAYCTLPAVCLLTGKFIMPSISTFASLFFIALFMSIFATGILEMRWSGVSIEEWWRNEQFWVIGGVSAHLFAVVQGLLKVLAGIDTNFTVTSKATGDEDDEFAELYAFKWTTLLIPPTTLLIINIIGVVAGISDAINNGYQSWGPLFGKLFFAFWVIVHLYPFLKGLMGRQNRTPTIVVIWSVLLASIFSLLWVRIDPFIVRTKGPDVRQCGINC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	28	Very low	55.6	Low	206 Å²	206	53.2 Å²	53.2	100%	1.015	30%	0.297	S	S	*	.				0	101.7	0	-75.3	-173.7	-167.2	0	0	106.3
2	E	28.6	Very low	56.8	Low	163 Å²	163	55.4 Å²	55.4	76%	0.762	30%	0.303	S	S	*	.			trans	-62.4	132.6	174.4	-69.7	170.7	171.3	0	0	108.5	N4	E2-N4 PolarHBondContact O-N 3.42Å; E2-N4 PolarHBondContact OE2-ND2 2.71Å
3	A	31.1	Very low	57.6	Low	48 Å²	48	58.2 Å²	58.2	40%	0.397	32%	0.318	S	S	.	.			trans	-75.3	48.5	-179	0	0	0	0	0	111.3	A5 P715	A3-A5 PolarHBondContact O-N 3.26Å; A3-P715 HydrophobicContact CB-CB 4.46Å
4	N	37.5	Very low	58.4	Low	90 Å²	90	62.9 Å²	62.9	48%	0.481	33%	0.329	S	S	.	.			trans	-84.7	114.6	-177.5	-68.2	-7.2	0	0	0	109.4	E2 G6	E2-N4 PolarHBondContact O-N 3.42Å; E2-N4 PolarHBondContact OE2-ND2 2.71Å; N4-G6 PolarHBondContact O-N 3.5Å
5	A	51.6	Low	58.9	Low	39 Å²	39	68.4 Å²	68.4	32%	0.322	36%	0.358	S	S	.	.	S	Bend	trans	63.5	14.8	155.8	0	0	0	0	0	120.6	A3 G22	A3-A5 PolarHBondContact O-N 3.26Å; A5-G22 PolarHBondContact O-N 2.79Å; A5-G22 VanDerWaalsContact O-N 3.16Å
6	G	56.9	Low	59.5	Low	8 Å²	8	70.6 Å²	70.6	8%	0.082	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	-176.3	0	0	0	0	0	117	N4 V8 I20 Q492	N4-G6 PolarHBondContact O-N 3.5Å; G6-V8 PolarHBondContact O-N 3.41Å; G6-I20 CarbonylContact C-O 3.53Å; G6-I20 WeakPolarHBondContact CA-O 3.45Å; G6-Q492 PolarHBondContact O-OE1 3.15Å
7	L	74.6	Confident	60	Low	3 Å²	3	71.1 Å²	71.1	2%	0.016	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	121.8	173.9	177.4	70.8	0	0	0	109.9	I20 F392 M473 W479 P480 M490 Q492	L7-I20 HydrophobicContact CB-CB 4.2Å; L7-I20 HydrophobicContact CD2-CD1 4.26Å; L7-I20 PolarHBondContact N-O 3.02Å; L7-I20 WeakPolarHBondContact O-CB 3.4Å; L7-I20 PolarHBondContact O-N 3.39Å; L7-F392 HydrophobicContact CD1-CE2 3.99Å; L7-M473 HydrophobicContact CB-CE 4.1Å; L7-M473 HydrophobicContact CD2-CE 3.67Å; L7-M473 HydrophobicContact CD2-SD 3.69Å; L7-W479 HydrophobicContact CD2-CE3 4.24Å; L7-W479 HydrophobicContact CD2-CH2 4.24Å; L7-W479 HydrophobicContact CD2-CZ3 3.55Å; L7-P480 HydrophobicContact CD2-CG 4.47Å; L7-M490 HydrophobicContact CD1-CB 4.18Å; L7-M490 HydrophobicContact CD2-SD 4.42Å; L7-Q492 HydrophobicContact CD1-CB 3.84Å
8	V	78.1	Confident	60.7	Low	19 Å²	19	71.8 Å²	71.8	12%	0.115	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116	175	-160.8	0	0	0	0	108.5	G6 L19 M490 I491 L719 I723	G6-V8 PolarHBondContact O-N 3.41Å; V8-L19 HydrophobicContact CG2-CD1 3.78Å; V8-M490 WeakPolarHBondContact O-CA 3.42Å; V8-I491 PolarHBondContact N-O 3.07Å; V8-I491 PolarHBondContact O-N 2.81Å; V8-L719 HydrophobicContact CG2-CD1 4.3Å; V8-I723 HydrophobicContact CB-CD1 3.87Å; V8-I723 HydrophobicContact CG1-CD1 3.29Å
9	A	77.5	Confident	61.1	Low	5 Å²	5	72.7 Å²	72.7	4%	0.041	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.1	175.7	0	0	0	0	0	110	V18 P480 P488 G489 M490	A9-V18 PolarHBondContact N-O 3.2Å; A9-V18 PolarHBondContact O-N 3.07Å; A9-P480 HydrophobicContact CB-CB 4.05Å; A9-P480 HydrophobicContact CB-CG 3.72Å; A9-P488 HydrophobicContact CB-CG 4.41Å; A9-G489 CarbonylContact C-O 3.51Å; A9-G489 WeakPolarHBondContact CA-O 3.22Å; A9-M490 HydrophobicContact CB-CG 4.07Å
10	G	75.9	Confident	61.4	Low	3 Å²	3	69.6 Å²	69.6	3%	0.031	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	165.8	176.5	0	0	0	0	0	116.1	E16 P488 G489	G10-E16 CarbonylContact C-O 3.51Å; G10-E16 WeakPolarHBondContact CA-O 3.5Å; G10-P488 WeakPolarHBondContact O-CB 3.14Å; G10-G489 PolarHBondContact N-O 3.38Å; G10-G489 PolarHBondContact O-N 3.44Å
11	S	72	Confident	61	Low	1 Å²	1	74.1 Å²	74.1	1%	0.007	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.4	173.5	174.6	0	0	0	0	108.6	N13 R14 N15 E16 E517 R519	S11-N13 VanDerWaalsContact C-N 3.26Å; S11-N13 PolarHBondContact O-N 3.42Å; S11-N13 PolarHBondContact OG-N 3.45Å; S11-R14 PolarHBondContact O-N 3.43Å; S11-R14 PolarHBondContact OG-N 3.12Å; S11-N15 PolarHBondContact O-N 3.49Å; S11-N15 VanDerWaalsContact O-N 3.09Å; S11-E16 PolarHBondContact N-O 3.49Å; S11-E16 PolarHBondContact O-N 2.98Å; S11-E16 VanDerWaalsContact O-N 3.14Å; S11-E517 VanDerWaalsContact CB-OE1 3.27Å; S11-E517 WeakPolarHBondContact CB-OE1 3.41Å; S11-E517 PolarHBondContact OG-OE1 2.87Å; S11-R519 PolarHBondContact OG-NH2 3.41Å
12	H	70	Confident	62	Low	80 Å²	80	66.2 Å²	66.2	37%	0.37	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-63.2	-37.8	173.8	-176.9	-92.1	0	0	0	111.1	R14 N15 H724	H12-R14 PolarHBondContact O-N 3.17Å; H12-N15 PolarHBondContact O-N 3.44Å; H12-N15 VanDerWaalsContact O-N 3.16Å; H12-N15 PolarHBondContact O-OD1 3.46Å; H12-H724 AromaticContact CD2-CE1 3.9Å; H12-H724 AromaticContact CD2-CG 3.7Å; H12-H724 AromaticContact CD2-ND1 3.13Å; H12-H724 PolarHBondContact CD2-ND1 3.32Å; H12-H724 AromaticContact CE1-CE1 3.56Å; H12-H724 AromaticContact CE1-ND1 3.51Å; H12-H724 AromaticContact CG-CE1 3.9Å; H12-H724 AromaticContact CG-ND1 3.1Å; H12-H724 AromaticContact ND1-CE1 3.68Å; H12-H724 AromaticContact ND1-ND1 3.35Å; H12-H724 PolarHBondContact ND1-ND1 3.41Å; H12-H724 AromaticContact NE2-CE1 3.69Å; H12-H724 AromaticContact NE2-ND1 3.39Å; H12-H724 PolarHBondContact NE2-ND1 3.08Å
13	N	66.9	Low	62.3	Low	92 Å²	92	66.2 Å²	66.2	49%	0.492	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-66.3	-24	-180	-71.7	-16.3	0	0	0	113.4	S11	S11-N13 VanDerWaalsContact C-N 3.26Å; S11-N13 PolarHBondContact O-N 3.42Å; S11-N13 PolarHBondContact OG-N 3.45Å
14	R	69.2	Low	62.4	Low	124 Å²	124	70.6 Å²	70.6	47%	0.468	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-100.7	-3.3	174.7	-66.1	-171.3	176.8	157.1	5.1	113.9	S11 H12 E16 R519	S11-R14 PolarHBondContact O-N 3.43Å; S11-R14 PolarHBondContact OG-N 3.12Å; H12-R14 PolarHBondContact O-N 3.17Å; R14-E16 HydrophobicContact CB-CB 4.32Å; R14-E16 HydrophobicContact CB-CG 3.97Å; R14-E16 WeakPolarHBondContact CD-OE2 3.5Å; R14-E16 PolarHBondContact O-N 3.2Å; R14-R519 VanDerWaalsContact NH2-NH1 3.15Å
15	N	65.4	Low	62.1	Low	145 Å²	145	71.9 Å²	71.9	78%	0.775	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	36	-169.3	-74.1	-28.2	0	0	0	113.5	S11 H12	S11-N15 PolarHBondContact O-N 3.49Å; S11-N15 VanDerWaalsContact O-N 3.09Å; H12-N15 PolarHBondContact O-N 3.44Å; H12-N15 VanDerWaalsContact O-N 3.16Å; H12-N15 PolarHBondContact O-OD1 3.46Å
16	E	69.5	Low	61	Low	104 Å²	104	75.8 Å²	75.8	49%	0.486	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.7	-179.7	-72.2	168.7	-178.9	0	0	109.5	G10 S11 R14	G10-E16 CarbonylContact C-O 3.51Å; G10-E16 WeakPolarHBondContact CA-O 3.5Å; S11-E16 PolarHBondContact N-O 3.49Å; S11-E16 PolarHBondContact O-N 2.98Å; S11-E16 VanDerWaalsContact O-N 3.14Å; R14-E16 HydrophobicContact CB-CB 4.32Å; R14-E16 HydrophobicContact CB-CG 3.97Å; R14-E16 WeakPolarHBondContact CD-OE2 3.5Å; R14-E16 PolarHBondContact O-N 3.2Å
17	L	67.8	Low	59.6	Low	79 Å²	79	84.7 Å²	84.7	41%	0.414	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.1	172.5	-75.9	160.1	0	0	0	108.3	K720 I723	L17-K720 HydrophobicContact CD1-CB 4.49Å; L17-K720 HydrophobicContact CD1-CD 3.79Å; L17-K720 HydrophobicContact CD1-CG 3.65Å; L17-I723 HydrophobicContact CD2-CB 4.17Å; L17-I723 HydrophobicContact CD2-CD1 3.55Å; L17-I723 HydrophobicContact CD2-CG1 4.45Å; L17-I723 HydrophobicContact CD2-CG2 3.88Å
18	V	71.6	Confident	57.3	Low	83 Å²	83	90 Å²	90	50%	0.503	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.5	-177.9	-174.7	0	0	0	0	108.5	A9 I20	A9-V18 PolarHBondContact N-O 3.2Å; A9-V18 PolarHBondContact O-N 3.07Å; V18-I20 HydrophobicContact CG1-CG1 3.97Å
19	L	69	Low	55.1	Low	90 Å²	90	97.6 Å²	97.6	47%	0.471	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.3	169.4	178.5	72	0	0	0	108.3	V8 R21	V8-L19 HydrophobicContact CG2-CD1 3.78Å; L19-R21 HydrophobicContact CD2-CG 4.29Å; L19-R21 HydrophobicContact CG-CG 4.34Å
20	I	67.5	Low	52.8	Low	9 Å²	9	108.7 Å²	108.7	5%	0.046	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.1	-179.7	-60.7	175.8	0	0	0	107.3	G6 L7 V18 M473 D475 T477 P480	G6-I20 CarbonylContact C-O 3.53Å; G6-I20 WeakPolarHBondContact CA-O 3.45Å; L7-I20 HydrophobicContact CB-CB 4.2Å; L7-I20 HydrophobicContact CD2-CD1 4.26Å; L7-I20 PolarHBondContact N-O 3.02Å; L7-I20 WeakPolarHBondContact O-CB 3.4Å; L7-I20 PolarHBondContact O-N 3.39Å; V18-I20 HydrophobicContact CG1-CG1 3.97Å; I20-M473 HydrophobicContact CD1-SD 4Å; I20-M473 HydrophobicContact CG2-CE 3.79Å; I20-M473 HydrophobicContact CG2-SD 3.72Å; I20-D475 WeakPolarHBondContact CG2-OD2 3.44Å; I20-T477 HydrophobicContact CG2-CG2 4.18Å; I20-T477 WeakPolarHBondContact CG2-OG1 3.32Å; I20-P480 HydrophobicContact CD1-CG 3.78Å
21	R	52.9	Low	50.5	Low	166 Å²	166	113.1 Å²	113.1	63%	0.626	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	121.7	-170.3	-69.5	-175.9	-179.3	174.4	1	111.7	L19 H23 D475	L19-R21 HydrophobicContact CD2-CG 4.29Å; L19-R21 HydrophobicContact CG-CG 4.34Å; R21-H23 PolarHBondContact O-N 3.3Å; R21-D475 WeakPolarHBondContact O-CB 3.44Å
22	G	48.2	Very low	48.8	Very low	40 Å²	40	121 Å²	121	41%	0.412	62%	0.618	S	S	.	*			trans	-78.8	111.3	164.9	0	0	0	0	0	110.6	A5 E24	A5-G22 PolarHBondContact O-N 2.79Å; A5-G22 VanDerWaalsContact O-N 3.16Å; G22-E24 PolarHBondContact O-N 3.07Å
23	H	36	Very low	47.5	Very low	162 Å²	162	121 Å²	121	75%	0.75	63%	0.627	S	S	*	*			trans	-78	97.6	170.8	-138.8	-80.2	0	0	0	108.5	R21 D25	R21-H23 PolarHBondContact O-N 3.3Å; H23-D25 IonicContact CE1-OD2 3.04Å; H23-D25 PolarHBondContact CE1-OD2 2.93Å; H23-D25 IonicContact ND1-OD2 3.58Å; H23-D25 PolarHBondContact ND1-OD2 3.46Å; H23-D25 PolarHBondContact O-N 3.28Å
24	E	32.6	Very low	46.8	Very low	141 Å²	141	120.3 Å²	120.3	66%	0.659	64%	0.642	S	S	*	*			trans	-80.8	87.7	164.7	-77.6	-177.3	-179	0	0	108.8	G22	G22-E24 PolarHBondContact O-N 3.07Å
25	D	30.4	Very low	46.6	Very low	116 Å²	116	118.8 Å²	118.8	62%	0.62	64%	0.64	S	S	*	*			trans	-109.7	124.2	154.8	-77.8	-43.8	0	0	0	107.9	H23 K27	H23-D25 IonicContact CE1-OD2 3.04Å; H23-D25 PolarHBondContact CE1-OD2 2.93Å; H23-D25 IonicContact ND1-OD2 3.58Å; H23-D25 PolarHBondContact ND1-OD2 3.46Å; H23-D25 PolarHBondContact O-N 3.28Å; D25-K27 PolarHBondContact O-N 3.02Å
26	P	29.7	Very low	47.4	Very low	122 Å²	122	115.8 Å²	115.8	79%	0.792	63%	0.627	S	S	*	*			trans	-67.2	110	170.7	27.2	-29	0	0	0	107.8	P28	P26-P28 WeakPolarHBondContact O-CD 3.31Å
27	K	26.3	Very low	48.3	Very low	195 Å²	195	110.9 Å²	110.9	85%	0.848	60%	0.604	S	S	*	*			trans	-61.9	123.3	166.8	-91.6	178.5	177.1	172.3	0	108.2	D25 L29	D25-K27 PolarHBondContact O-N 3.02Å; K27-L29 PolarHBondContact O-N 2.84Å
28	P	27.6	Very low	49	Very low	115 Å²	115	113.7 Å²	113.7	75%	0.747	62%	0.615	S	S	*	*			trans	-68.6	118.3	167.6	28	-29	0	0	0	107.3	P26 R30	P26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-R30 PolarHBondContact O-N 3.21Å; P28-R30 VanDerWaalsContact O-N 3.09Å
29	L	30.3	Very low	49.5	Very low	177 Å²	177	113 Å²	113	93%	0.927	61%	0.608	S	S	*	*			trans	-59.4	115	169.8	-85.2	160.5	0	0	0	107.9	K27 A31	K27-L29 PolarHBondContact O-N 2.84Å; L29-A31 PolarHBondContact O-N 3.24Å
30	R	29.4	Very low	50.3	Low	238 Å²	238	111.4 Å²	111.4	90%	0.898	60%	0.604	S	S	*	*			trans	-64.6	121.1	178.5	-84.1	177	167.7	176.6	-4.5	110.2	P28	P28-R30 PolarHBondContact O-N 3.21Å; P28-R30 VanDerWaalsContact O-N 3.09Å
31	A	28.4	Very low	51	Low	97 Å²	97	113.4 Å²	113.4	80%	0.802	63%	0.626	S	S	*	*			trans	-0.4	108.9	149.9	0	0	0	0	0	117.3	L29	L29-A31 PolarHBondContact O-N 3.24Å
32	L	36.7	Very low	52.4	Low	165 Å²	165	110.2 Å²	110.2	86%	0.864	62%	0.622	S	S	*	*			trans	-141.3	98.1	157.4	-79.3	164.7	0	0	0	108.8
33	S	41.4	Very low	54.1	Low	81 Å²	81	116.4 Å²	116.4	57%	0.566	64%	0.64	S	S	*	*			trans	36.3	114.6	164.6	62	0	0	0	0	119.2	L52	S33-L52 WeakPolarHBondContact OG-CD1 3.23Å
34	G	53.5	Low	56.1	Low	78 Å²	78	109.1 Å²	109.1	80%	0.804	61%	0.607	S	S	*	*			cis	121.2	-10	32.3	0	0	0	0	0	113.1
35	Q	65.4	Low	58.2	Low	91 Å²	91	104.3 Å²	104.3	43%	0.425	60%	0.595	S	S	.	*			trans	-114.1	134.7	174.2	-76.1	-174.8	-15.9	0	0	111.5	V44 P62	Q35-V44 HydrophobicContact CB-CB 4.5Å; Q35-V44 HydrophobicContact CB-CG2 4.34Å; Q35-V44 PolarHBondContact O-N 3.03Å; Q35-P62 HydrophobicContact CB-CB 4.38Å
36	V	82	Confident	60.4	Low	82 Å²	82	104 Å²	104	50%	0.497	59%	0.593	S	S	.	*	B	Isolated β-bridge	trans	-103.2	139.1	179.2	-164.5	0	0	0	0	108.1	E38 G41	V36-E38 PolarHBondContact O-N 3.11Å; V36-G41 WeakPolarHBondContact CG1-O 3.36Å
37	C	87.8	Confident	62.4	Low	2 Å²	2	100.2 Å²	100.2	1%	0.014	57%	0.567	C	S	.	*			trans	-64.3	122.4	175.4	176.2	0	0	0	0	110.2	I39 C40 G41 D42 V44 P62 C64	C37-I39 PolarHBondContact O-N 3.45Å; C37-I39 PolarHBondContact SG-N 2.8Å; C37-I39 VanDerWaalsContact SG-N 3.38Å; C37-C40 VanDerWaalsContact SG-SG 3.63Å; C37-G41 VanDerWaalsContact O-CA 3.29Å; C37-G41 WeakPolarHBondContact O-CA 3.43Å; C37-G41 PolarHBondContact O-N 3.25Å; C37-D42 VanDerWaalsContact CB-O 3.29Å; C37-D42 WeakPolarHBondContact CB-O 3.39Å; C37-D42 PolarHBondContact N-O 3.48Å; C37-V44 HydrophobicContact CB-CG2 4.39Å; C37-P62 WeakPolarHBondContact CA-O 3.35Å; C37-C64 HydrophobicContact CB-CB 3.89Å; C37-C64 PolarHBondContact SG-N 2.98Å
38	E	81.8	Confident	64.4	Low	138 Å²	138	95.7 Å²	95.7	65%	0.645	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-0.3	178.7	-76.3	-158.2	-174.6	0	0	114.2	V36 F61 P62	V36-E38 PolarHBondContact O-N 3.11Å; E38-F61 HydrophobicContact CB-CE1 4.37Å; E38-F61 HydrophobicContact CB-CE2 4.1Å; E38-F61 HydrophobicContact CB-CZ 3.65Å; E38-F61 HydrophobicContact CG-CE2 4.49Å; E38-F61 WeakPolarHBondContact OE2-CE2 3.42Å; E38-P62 HydrophobicContact CG-CG 4.16Å; E38-P62 PolarHBondContact N-O 3.21Å
39	I	82.8	Confident	66.2	Low	69 Å²	69	96.3 Å²	96.3	35%	0.354	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.8	-49.5	175.6	-55.9	-176.4	0	0	0	111.2	C37 F61 V63 C67 E71 P80	C37-I39 PolarHBondContact O-N 3.45Å; C37-I39 PolarHBondContact SG-N 2.8Å; C37-I39 VanDerWaalsContact SG-N 3.38Å; I39-F61 HydrophobicContact CG1-CE1 4.48Å; I39-V63 HydrophobicContact CD1-CB 4.45Å; I39-V63 HydrophobicContact CD1-CG1 3.71Å; I39-V63 HydrophobicContact CD1-CG2 3.84Å; I39-V63 HydrophobicContact CG1-CG1 4.41Å; I39-V63 HydrophobicContact CG1-CG2 4.2Å; I39-C67 HydrophobicContact CB-CB 4.1Å; I39-C67 HydrophobicContact CD1-CB 4.13Å; I39-C67 HydrophobicContact CG2-CB 4.19Å; I39-E71 HydrophobicContact CD1-CG 4.24Å; I39-P80 HydrophobicContact CD1-CG 4.1Å
40	C	86.3	Confident	68	Low	56 Å²	56	90.1 Å²	90.1	38%	0.378	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-13	-175.6	67.2	0	0	0	0	115.5	C37 D42 C64 C67	C37-C40 VanDerWaalsContact SG-SG 3.63Å; C40-D42 VanDerWaalsContact C-N 3.35Å; C40-D42 VanDerWaalsContact SG-CB 3.54Å; C40-D42 VanDerWaalsContact SG-CG 3.55Å; C40-D42 PolarHBondContact SG-N 3.43Å; C40-D42 PolarHBondContact SG-OD2 3.06Å; C40-C64 PolarHBondContact SG-SG 2.81Å; C40-C67 VanDerWaalsContact SG-SG 3.63Å
41	G	80.9	Confident	70.1	Confident	50 Å²	50	84 Å²	84	52%	0.515	52%	0.517	S	S	.	.			trans	81.7	5.3	-175.7	0	0	0	0	0	115.4	V36 C37	V36-G41 WeakPolarHBondContact CG1-O 3.36Å; C37-G41 VanDerWaalsContact O-CA 3.29Å; C37-G41 WeakPolarHBondContact O-CA 3.43Å; C37-G41 PolarHBondContact O-N 3.25Å
42	D	83.6	Confident	72.2	Confident	100 Å²	100	82.4 Å²	82.4	54%	0.535	49%	0.494	S	S	.	.			trans	-83.6	159.8	177.1	-63	-37.4	0	0	0	112.4	C37 C40	C37-D42 VanDerWaalsContact CB-O 3.29Å; C37-D42 WeakPolarHBondContact CB-O 3.39Å; C37-D42 PolarHBondContact N-O 3.48Å; C40-D42 VanDerWaalsContact C-N 3.35Å; C40-D42 VanDerWaalsContact SG-CB 3.54Å; C40-D42 VanDerWaalsContact SG-CG 3.55Å; C40-D42 PolarHBondContact SG-N 3.43Å; C40-D42 PolarHBondContact SG-OD2 3.06Å
43	E	82.7	Confident	74.5	Confident	170 Å²	170	74.9 Å²	74.9	79%	0.794	46%	0.455	S	S	*	.	B	Isolated β-bridge	trans	-64.5	136.7	174.7	-70.7	-175.6	165.8	0	0	112	G45	E43-G45 PolarHBondContact O-N 3.03Å
44	V	79.2	Confident	76.6	Confident	9 Å²	9	73.9 Å²	73.9	6%	0.055	45%	0.445	C	S	.	.			trans	-76.3	110.8	174.3	-177.9	0	0	0	0	108.7	Q35 C37 F53 P62	Q35-V44 HydrophobicContact CB-CB 4.5Å; Q35-V44 HydrophobicContact CB-CG2 4.34Å; Q35-V44 PolarHBondContact O-N 3.03Å; C37-V44 HydrophobicContact CB-CG2 4.39Å; V44-F53 HydrophobicContact CG1-CB 4.05Å; V44-F53 HydrophobicContact CG1-CD1 4.17Å; V44-F53 WeakPolarHBondContact CG1-O 3.17Å; V44-P62 HydrophobicContact CG2-CB 4.23Å
45	G	77	Confident	77.9	Confident	40 Å²	40	70.5 Å²	70.5	41%	0.412	41%	0.409	S	S	.	.			trans	-71.5	-172.2	-177.1	0	0	0	0	0	115.1	E43 F53	E43-G45 PolarHBondContact O-N 3.03Å; G45-F53 WeakPolarHBondContact O-CB 3.43Å; G45-F53 PolarHBondContact O-N 3.35Å
46	L	76.6	Confident	78.8	Confident	109 Å²	109	66.5 Å²	66.5	57%	0.571	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-95.5	156	177.1	-60.5	170.6	0	0	0	111.6	D51	L46-D51 CarbonylContact C-O 3.56Å; L46-D51 WeakPolarHBondContact CA-O 3.12Å
47	T	71.1	Confident	78.6	Confident	43 Å²	43	68.3 Å²	68.3	26%	0.264	40%	0.398	S	S	.	.			trans	-72.4	171.8	169	64.9	0	0	0	0	111.1	D49 G50 D51 F53	T47-D49 PolarHBondContact O-N 3.24Å; T47-D49 PolarHBondContact OG1-N 3.44Å; T47-G50 PolarHBondContact O-N 3Å; T47-G50 VanDerWaalsContact O-N 3.12Å; T47-D51 PolarHBondContact N-O 3.24Å; T47-D51 PolarHBondContact OG1-N 2.81Å; T47-D51 PolarHBondContact OG1-O 3.5Å; T47-F53 HydrophobicContact CG2-CB 4.43Å; T47-F53 HydrophobicContact CG2-CD2 4.4Å
48	V	68.1	Low	78	Confident	99 Å²	99	75.2 Å²	75.2	60%	0.6	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.1	174.1	-92.2	0	0	0	0	113.6
49	D	65.6	Low	77.8	Confident	128 Å²	128	70.8 Å²	70.8	68%	0.684	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	0.3	179.4	-58.4	-52.8	0	0	0	113.1	T47	T47-D49 PolarHBondContact O-N 3.24Å; T47-D49 PolarHBondContact OG1-N 3.44Å
50	G	68.3	Low	77.6	Confident	47 Å²	47	69.4 Å²	69.4	49%	0.485	42%	0.417	S	S	.	.	S	Bend	trans	88.7	7.6	177.6	0	0	0	0	0	115.7	T47	T47-G50 PolarHBondContact O-N 3Å; T47-G50 VanDerWaalsContact O-N 3.12Å
51	D	72.9	Confident	77.4	Confident	111 Å²	111	67.4 Å²	67.4	59%	0.594	40%	0.402	S	S	*	.	S	Bend	trans	-88.2	161.6	175.2	-68.1	-40.4	0	0	0	111.9	L46 T47 F53	L46-D51 CarbonylContact C-O 3.56Å; L46-D51 WeakPolarHBondContact CA-O 3.12Å; T47-D51 PolarHBondContact N-O 3.24Å; T47-D51 PolarHBondContact OG1-N 2.81Å; T47-D51 PolarHBondContact OG1-O 3.5Å; D51-F53 PolarHBondContact O-N 2.69Å
52	L	73.4	Confident	77.5	Confident	62 Å²	62	66.3 Å²	66.3	33%	0.325	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-61.7	130.9	176.3	-155.6	97.1	0	0	0	110.6	S33 V54	S33-L52 WeakPolarHBondContact OG-CD1 3.23Å; L52-V54 PolarHBondContact O-N 3.36Å
53	F	85	Confident	77.6	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.035	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.6	120.6	178.7	179	-96.4	0	0	0	111.3	V44 G45 T47 D51 A55 V63 R65 Y68 L89	V44-F53 HydrophobicContact CG1-CB 4.05Å; V44-F53 HydrophobicContact CG1-CD1 4.17Å; V44-F53 WeakPolarHBondContact CG1-O 3.17Å; G45-F53 WeakPolarHBondContact O-CB 3.43Å; G45-F53 PolarHBondContact O-N 3.35Å; T47-F53 HydrophobicContact CG2-CB 4.43Å; T47-F53 HydrophobicContact CG2-CD2 4.4Å; D51-F53 PolarHBondContact O-N 2.69Å; F53-A55 HydrophobicContact CE1-CB 3.87Å; F53-A55 HydrophobicContact CZ-CB 4.42Å; F53-V63 WeakPolarHBondContact CD1-O 3.24Å; F53-V63 WeakPolarHBondContact CE1-O 3.32Å; F53-R65 HydrophobicContact CD2-CB 4.46Å; F53-R65 HydrophobicContact CE1-CB 4.3Å; F53-R65 HydrophobicContact CE2-CB 4.1Å; F53-R65 HydrophobicContact CE2-CG 4Å; F53-R65 HydrophobicContact CZ-CB 4.02Å; F53-R65 HydrophobicContact CZ-CG 4.14Å; F53-Y68 HydrophobicContact CE1-CG 4.45Å; F53-Y68 AromaticContact CZ-CD1 3.87Å; F53-Y68 HydrophobicContact CZ-CD1 3.87Å; F53-Y68 HydrophobicContact CZ-CD2 4.46Å; F53-Y68 AromaticContact CZ-CG 3.81Å; F53-Y68 HydrophobicContact CZ-CG 3.81Å; F53-L89 HydrophobicContact CD2-CD1 4.32Å; F53-L89 HydrophobicContact CE2-CD1 3.45Å; F53-L89 VanDerWaalsContact CE2-CD1 3.45Å; F53-L89 HydrophobicContact CZ-CD1 3.7Å
54	V	83.9	Confident	77.9	Confident	60 Å²	60	53.7 Å²	53.7	36%	0.364	32%	0.324	S	S	.	.			trans	-115.7	108.5	176.3	-179.2	0	0	0	0	109	L52	L52-V54 PolarHBondContact O-N 3.36Å
55	A	82.6	Confident	78.3	Confident	6 Å²	6	56.8 Å²	56.8	5%	0.05	33%	0.334	C	S	.	.	S	Bend	trans	-70.5	-39.8	-179.7	0	0	0	0	0	112.8	F53 V63 Y68 Y86	F53-A55 HydrophobicContact CE1-CB 3.87Å; F53-A55 HydrophobicContact CZ-CB 4.42Å; A55-V63 HydrophobicContact CB-CB 3.77Å; A55-V63 HydrophobicContact CB-CG1 4.45Å; A55-V63 HydrophobicContact CB-CG2 4.48Å; A55-Y68 HydrophobicContact CB-CD2 4Å; A55-Y68 HydrophobicContact CB-CG 4.46Å; A55-Y86 HydrophobicContact CB-CE1 3.8Å; A55-Y86 WeakPolarHBondContact O-CD1 3.42Å; A55-Y86 WeakPolarHBondContact O-CE1 3.2Å
56	C	83.5	Confident	78.8	Confident	7 Å²	7	59 Å²	59	5%	0.047	34%	0.342	C	S	.	.			trans	-122.1	111.9	-177.7	-175.7	0	0	0	0	111.4	E58 G60 C79 Y86	C56-E58 PolarHBondContact O-N 3.31Å; C56-G60 WeakPolarHBondContact O-CA 3.39Å; C56-G60 PolarHBondContact O-N 3.42Å; C56-C79 HydrophobicContact CB-CB 4.17Å; C56-Y86 HydrophobicContact CB-CD1 4.49Å; C56-Y86 HydrophobicContact CB-CE1 3.9Å
57	N	77.4	Confident	79.3	Confident	121 Å²	121	54.6 Å²	54.6	65%	0.647	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.4	-177.7	-65.6	-15.6	0	0	0	114.4
58	E	75.2	Confident	80.2	Confident	147 Å²	147	52.6 Å²	52.6	69%	0.687	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-39.6	-178.2	-68.6	-138.3	152.8	0	0	114.2	C56 T84	C56-E58 PolarHBondContact O-N 3.31Å; E58-T84 HydrophobicContact CG-CG2 4.02Å; E58-T84 PolarHBondContact OE2-OG1 3.23Å
59	C	78.4	Confident	81.2	Confident	45 Å²	45	51.3 Å²	51.3	30%	0.304	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-5.3	-176.9	66.4	0	0	0	0	114.2	F61 C79 C82	C59-F61 PolarHBondContact O-N 3.26Å; C59-C79 PolarHBondContact SG-SG 2.94Å; C59-C82 HydrophobicContact CB-CB 3.78Å; C59-C82 PolarHBondContact SG-SG 2.94Å
60	G	77.5	Confident	82.2	Confident	39 Å²	39	51.3 Å²	51.3	40%	0.402	29%	0.286	S	S	.	.			trans	62.4	25	179.8	0	0	0	0	0	114	C56 P62	C56-G60 WeakPolarHBondContact O-CA 3.39Å; C56-G60 PolarHBondContact O-N 3.42Å; G60-P62 WeakPolarHBondContact O-CD 3.41Å
61	F	82.6	Confident	83	Confident	15 Å²	15	50.6 Å²	50.6	7%	0.066	27%	0.27	C	S	.	.			trans	-60.7	121.5	-178.7	-172.9	-113.3	0	0	0	110.8	E38 I39 C59 V63 P80 Q81	E38-F61 HydrophobicContact CB-CE1 4.37Å; E38-F61 HydrophobicContact CB-CE2 4.1Å; E38-F61 HydrophobicContact CB-CZ 3.65Å; E38-F61 HydrophobicContact CG-CE2 4.49Å; E38-F61 WeakPolarHBondContact OE2-CE2 3.42Å; I39-F61 HydrophobicContact CG1-CE1 4.48Å; C59-F61 PolarHBondContact O-N 3.26Å; F61-V63 HydrophobicContact CD1-CG2 3.4Å; F61-V63 HydrophobicContact CE1-CG2 3.68Å; F61-V63 HydrophobicContact CG-CG2 4.45Å; F61-V63 PolarHBondContact O-N 3.08Å; F61-P80 HydrophobicContact CD1-CB 4.44Å; F61-P80 HydrophobicContact CD1-CG 4.22Å; F61-P80 HydrophobicContact CE1-CB 3.85Å; F61-P80 HydrophobicContact CE1-CG 3.75Å; F61-P80 HydrophobicContact CZ-CB 4.28Å; F61-Q81 HydrophobicContact CB-CB 4.25Å; F61-Q81 HydrophobicContact CD2-CB 3.61Å; F61-Q81 HydrophobicContact CD2-CG 4.28Å; F61-Q81 HydrophobicContact CE2-CB 4.06Å; F61-Q81 VanDerWaalsContact CE2-OE1 3.31Å; F61-Q81 HydrophobicContact CG-CB 3.91Å
62	P	82.9	Confident	83.8	Confident	26 Å²	26	45.7 Å²	45.7	17%	0.169	24%	0.243	C	C	.	.			trans	-75.7	111.2	-170.9	27.6	-32.8	0	0	0	111.6	Q35 C37 E38 V44 G60	Q35-P62 HydrophobicContact CB-CB 4.38Å; C37-P62 WeakPolarHBondContact CA-O 3.35Å; E38-P62 HydrophobicContact CG-CG 4.16Å; E38-P62 PolarHBondContact N-O 3.21Å; V44-P62 HydrophobicContact CG2-CB 4.23Å; G60-P62 WeakPolarHBondContact O-CD 3.41Å
63	V	86.7	Confident	84.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.26	C	S	.	.			trans	-136.7	132.5	-179.1	-179.9	0	0	0	0	108.7	I39 F53 A55 F61 C67	I39-V63 HydrophobicContact CD1-CB 4.45Å; I39-V63 HydrophobicContact CD1-CG1 3.71Å; I39-V63 HydrophobicContact CD1-CG2 3.84Å; I39-V63 HydrophobicContact CG1-CG1 4.41Å; I39-V63 HydrophobicContact CG1-CG2 4.2Å; F53-V63 WeakPolarHBondContact CD1-O 3.24Å; F53-V63 WeakPolarHBondContact CE1-O 3.32Å; A55-V63 HydrophobicContact CB-CB 3.77Å; A55-V63 HydrophobicContact CB-CG1 4.45Å; A55-V63 HydrophobicContact CB-CG2 4.48Å; F61-V63 HydrophobicContact CD1-CG2 3.4Å; F61-V63 HydrophobicContact CE1-CG2 3.68Å; F61-V63 HydrophobicContact CG-CG2 4.45Å; F61-V63 PolarHBondContact O-N 3.08Å; V63-C67 HydrophobicContact CG1-CB 3.48Å; V63-C67 VanDerWaalsContact CG1-CB 3.48Å
64	C	89.1	Confident	84	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.034	29%	0.285	C	S	.	.			trans	-73.4	158.9	176.5	69.8	0	0	0	0	111.3	C37 C40 C67 Y68	C37-C64 HydrophobicContact CB-CB 3.89Å; C37-C64 PolarHBondContact SG-N 2.98Å; C40-C64 PolarHBondContact SG-SG 2.81Å; C64-C67 PolarHBondContact O-N 3.5Å; C64-C67 VanDerWaalsContact O-N 3.09Å; C64-Y68 PolarHBondContact O-N 2.85Å
65	R	87.6	Confident	83.8	Confident	73 Å²	73	55.2 Å²	55.2	28%	0.275	28%	0.282	S	S	.	.	H	α-helix	trans	-53.9	-44.3	-178.3	-168.6	175.6	-149.4	174.6	8.9	113.8	F53 C67 Y68 E69 K90	F53-R65 HydrophobicContact CD2-CB 4.46Å; F53-R65 HydrophobicContact CE1-CB 4.3Å; F53-R65 HydrophobicContact CE2-CB 4.1Å; F53-R65 HydrophobicContact CE2-CG 4Å; F53-R65 HydrophobicContact CZ-CB 4.02Å; F53-R65 HydrophobicContact CZ-CG 4.14Å; R65-C67 PolarHBondContact O-N 2.83Å; R65-Y68 PolarHBondContact O-N 2.95Å; R65-E69 IonicContact NE-OE1 3.11Å; R65-E69 WeakPolarHBondContact O-CG 3.49Å; R65-E69 PolarHBondContact O-N 2.82Å; R65-K90 PolarHBondContact NH2-O 3.4Å
66	P	85.9	Confident	83.9	Confident	87 Å²	87	59.4 Å²	59.4	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-60	-40.9	175.3	-25.9	35	0	0	0	114.3	E69 Y70	P66-E69 PolarHBondContact O-N 3.34Å; P66-Y70 VanDerWaalsContact O-CB 3.31Å; P66-Y70 WeakPolarHBondContact O-CB 3.32Å; P66-Y70 PolarHBondContact O-N 3.39Å
67	C	88.1	Confident	84	Confident	17 Å²	17	61.8 Å²	61.8	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-34.4	178.1	-75.6	0	0	0	0	112.4	I39 C40 V63 C64 R65 Y70 E71	I39-C67 HydrophobicContact CB-CB 4.1Å; I39-C67 HydrophobicContact CD1-CB 4.13Å; I39-C67 HydrophobicContact CG2-CB 4.19Å; C40-C67 VanDerWaalsContact SG-SG 3.63Å; V63-C67 HydrophobicContact CG1-CB 3.48Å; V63-C67 VanDerWaalsContact CG1-CB 3.48Å; C64-C67 PolarHBondContact O-N 3.5Å; C64-C67 VanDerWaalsContact O-N 3.09Å; R65-C67 PolarHBondContact O-N 2.83Å; C67-Y70 PolarHBondContact O-N 3.33Å; C67-E71 WeakPolarHBondContact O-CB 3.43Å; C67-E71 PolarHBondContact O-N 3.07Å
68	Y	90.3	Very high	84.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-46.8	171.5	160.4	-94	0	0	0	111.6	F53 A55 C64 R65 Y70 E71 R72 Y86 K87 L89	F53-Y68 HydrophobicContact CE1-CG 4.45Å; F53-Y68 AromaticContact CZ-CD1 3.87Å; F53-Y68 HydrophobicContact CZ-CD1 3.87Å; F53-Y68 HydrophobicContact CZ-CD2 4.46Å; F53-Y68 AromaticContact CZ-CG 3.81Å; F53-Y68 HydrophobicContact CZ-CG 3.81Å; A55-Y68 HydrophobicContact CB-CD2 4Å; A55-Y68 HydrophobicContact CB-CG 4.46Å; C64-Y68 PolarHBondContact O-N 2.85Å; R65-Y68 PolarHBondContact O-N 2.95Å; Y68-Y70 VanDerWaalsContact C-N 3.34Å; Y68-Y70 PolarHBondContact O-N 3.33Å; Y68-E71 PolarHBondContact O-N 3.11Å; Y68-R72 VanDerWaalsContact CE2-CD 3.42Å; Y68-R72 HydrophobicContact CE2-CG 4.22Å; Y68-R72 WeakPolarHBondContact O-CG 3.31Å; Y68-R72 PolarHBondContact O-N 2.99Å; Y68-R72 WeakPolarHBondContact OH-CD 3.48Å; Y68-R72 PolarHBondContact OH-NH1 3.18Å; Y68-Y86 AromaticContact CD2-CD1 3.87Å; Y68-Y86 HydrophobicContact CD2-CD1 3.87Å; Y68-Y86 HydrophobicContact CD2-CE1 4.19Å; Y68-Y86 HydrophobicContact CD2-CG 4.15Å; Y68-Y86 AromaticContact CE2-CD1 3.97Å; Y68-Y86 HydrophobicContact CE2-CD1 3.97Å; Y68-Y86 HydrophobicContact CE2-CG 4.16Å; Y68-K87 PolarHBondContact OH-O 3.45Å; Y68-L89 HydrophobicContact CD2-CD1 4.49Å; Y68-L89 HydrophobicContact CE1-CB 4.32Å; Y68-L89 HydrophobicContact CE1-CD1 4.12Å; Y68-L89 HydrophobicContact CE1-CG 4.44Å; Y68-L89 HydrophobicContact CE2-CD1 3.97Å; Y68-L89 HydrophobicContact CE2-CG 4.3Å; Y68-L89 PolarHBondContact OH-N 2.78Å
69	E	87.4	Confident	84.9	Confident	72 Å²	72	51.9 Å²	51.9	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-39.5	177.3	-74.3	173.5	-174.8	0	0	111.7	R65 P66 R72 R73	R65-E69 IonicContact NE-OE1 3.11Å; R65-E69 WeakPolarHBondContact O-CG 3.49Å; R65-E69 PolarHBondContact O-N 2.82Å; P66-E69 PolarHBondContact O-N 3.34Å; E69-R72 PolarHBondContact O-N 2.9Å; E69-R73 VanDerWaalsContact O-CB 3.26Å; E69-R73 WeakPolarHBondContact O-CB 3.4Å; E69-R73 PolarHBondContact O-N 2.74Å
70	Y	86.6	Confident	85.2	Confident	128 Å²	128	52.9 Å²	52.9	50%	0.502	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-49.3	174.4	179.3	-93.8	0	0	0	112.2	P66 C67 Y68 R72 R73 E74 G75	P66-Y70 VanDerWaalsContact O-CB 3.31Å; P66-Y70 WeakPolarHBondContact O-CB 3.32Å; P66-Y70 PolarHBondContact O-N 3.39Å; C67-Y70 PolarHBondContact O-N 3.33Å; Y68-Y70 VanDerWaalsContact C-N 3.34Å; Y68-Y70 PolarHBondContact O-N 3.33Å; Y70-R72 VanDerWaalsContact C-N 3.26Å; Y70-R72 PolarHBondContact O-N 2.9Å; Y70-R73 PolarHBondContact O-N 3.04Å; Y70-E74 HydrophobicContact CD2-CB 4.35Å; Y70-E74 HydrophobicContact CE2-CB 4.05Å; Y70-E74 PolarHBondContact O-N 3.07Å; Y70-G75 PolarHBondContact O-N 3.14Å; Y70-G75 VanDerWaalsContact O-N 3.11Å
71	E	86.6	Confident	85.3	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.15	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-30.7	178.8	-83.8	-61.9	144.7	0	0	113	I39 C67 Y68 G75 T76 Q77 Y86	I39-E71 HydrophobicContact CD1-CG 4.24Å; C67-E71 WeakPolarHBondContact O-CB 3.43Å; C67-E71 PolarHBondContact O-N 3.07Å; Y68-E71 PolarHBondContact O-N 3.11Å; E71-G75 CarbonylContact O-C 3.54Å; E71-G75 WeakPolarHBondContact O-CA 3.28Å; E71-G75 PolarHBondContact O-N 2.78Å; E71-G75 WeakPolarHBondContact OE2-CA 3.31Å; E71-T76 PolarHBondContact OE2-N 2.99Å; E71-T76 PolarHBondContact OE2-OG1 3.43Å; E71-Q77 WeakPolarHBondContact O-CA 3.49Å; E71-Q77 PolarHBondContact O-N 3.5Å; E71-Y86 HydrophobicContact CB-CD2 4.4Å; E71-Y86 HydrophobicContact CB-CE2 4.05Å
72	R	89.5	Confident	85.3	Confident	9 Å²	9	58.2 Å²	58.2	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-73.5	-40.7	173.7	-75.8	-171.9	77.2	-131.7	-0.9	112.9	Y68 E69 Y70 Y86 P93 V95 D98	Y68-R72 VanDerWaalsContact CE2-CD 3.42Å; Y68-R72 HydrophobicContact CE2-CG 4.22Å; Y68-R72 WeakPolarHBondContact O-CG 3.31Å; Y68-R72 PolarHBondContact O-N 2.99Å; Y68-R72 WeakPolarHBondContact OH-CD 3.48Å; Y68-R72 PolarHBondContact OH-NH1 3.18Å; E69-R72 PolarHBondContact O-N 2.9Å; Y70-R72 VanDerWaalsContact C-N 3.26Å; Y70-R72 PolarHBondContact O-N 2.9Å; R72-Y86 HydrophobicContact CG-CD2 4.46Å; R72-Y86 HydrophobicContact CG-CG 4.41Å; R72-P93 PolarHBondContact NH1-O 2.79Å; R72-P93 VanDerWaalsContact NH1-O 3.14Å; R72-V95 HydrophobicContact CB-CG2 4.07Å; R72-V95 WeakPolarHBondContact O-CG1 3.27Å; R72-D98 IonicContact CZ-OD2 2.93Å; R72-D98 IonicContact NH2-OD1 2.73Å; R72-D98 PolarHBondContact NH2-OD1 2.75Å; R72-D98 IonicContact NH2-OD2 3.14Å; R72-D98 PolarHBondContact NH2-OD2 3.47Å
73	R	82.8	Confident	85.3	Confident	179 Å²	179	64.9 Å²	64.9	68%	0.675	32%	0.321	S	S	*	.	H	α-helix	trans	-84.4	-44.2	-174.5	-167.4	179.3	-176.1	-128.1	9.1	114.1	E69 Y70	E69-R73 VanDerWaalsContact O-CB 3.26Å; E69-R73 WeakPolarHBondContact O-CB 3.4Å; E69-R73 PolarHBondContact O-N 2.74Å; Y70-R73 PolarHBondContact O-N 3.04Å
74	E	79.6	Confident	85.1	Confident	121 Å²	121	67 Å²	67	57%	0.565	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	-13.3	-170	-63.2	-175	-163.9	0	0	113.3	Y70	Y70-E74 HydrophobicContact CD2-CB 4.35Å; Y70-E74 HydrophobicContact CE2-CB 4.05Å; Y70-E74 PolarHBondContact O-N 3.07Å
75	G	80.5	Confident	85	Confident	29 Å²	29	71.5 Å²	71.5	30%	0.299	35%	0.351	S	S	.	.	S	Bend	trans	-93.7	-152.8	-179.3	0	0	0	0	0	115.1	Y70 E71 Q77	Y70-G75 PolarHBondContact O-N 3.14Å; Y70-G75 VanDerWaalsContact O-N 3.11Å; E71-G75 CarbonylContact O-C 3.54Å; E71-G75 WeakPolarHBondContact O-CA 3.28Å; E71-G75 PolarHBondContact O-N 2.78Å; E71-G75 WeakPolarHBondContact OE2-CA 3.31Å; G75-Q77 VanDerWaalsContact C-N 3.26Å; G75-Q77 PolarHBondContact O-N 3.37Å
76	T	83.3	Confident	84.9	Confident	95 Å²	95	68.5 Å²	68.5	58%	0.583	34%	0.339	S	S	*	.			trans	-81.7	-1.3	-172.6	60.8	0	0	0	0	114.3	E71 N78	E71-T76 PolarHBondContact OE2-N 2.99Å; E71-T76 PolarHBondContact OE2-OG1 3.43Å; T76-N78 PolarHBondContact O-N 3.02Å; T76-N78 PolarHBondContact OG1-O 2.99Å
77	Q	86	Confident	84.7	Confident	57 Å²	57	70.3 Å²	70.3	27%	0.266	34%	0.338	S	S	.	.	S	Bend	trans	57.7	3.4	-168.7	-55.1	-173.1	2.2	0	0	115.2	E71 G75 R85 Y86	E71-Q77 WeakPolarHBondContact O-CA 3.49Å; E71-Q77 PolarHBondContact O-N 3.5Å; G75-Q77 VanDerWaalsContact C-N 3.26Å; G75-Q77 PolarHBondContact O-N 3.37Å; Q77-R85 WeakPolarHBondContact O-CA 3.16Å; Q77-R85 WeakPolarHBondContact O-CG 3.43Å; Q77-Y86 PolarHBondContact O-N 3.23Å
78	N	86.8	Confident	84.4	Confident	58 Å²	58	71.4 Å²	71.4	31%	0.31	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-119.7	148.7	-172.9	-66.6	-26.5	0	0	0	110.6	T76 R85 Y86	T76-N78 PolarHBondContact O-N 3.02Å; T76-N78 PolarHBondContact OG1-O 2.99Å; N78-R85 VanDerWaalsContact OD1-CA 3.29Å; N78-R85 WeakPolarHBondContact OD1-CA 3.24Å; N78-Y86 WeakPolarHBondContact O-CE2 3.27Å
79	C	85.5	Confident	83.8	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.014	35%	0.35	C	S	.	.			trans	-60.1	129.7	172.2	177.9	0	0	0	0	110.6	C56 C59 Q81 C82 K83 T84 Y86	C56-C79 HydrophobicContact CB-CB 4.17Å; C59-C79 PolarHBondContact SG-SG 2.94Å; C79-Q81 PolarHBondContact O-N 2.88Å; C79-Q81 VanDerWaalsContact O-N 3.14Å; C79-C82 VanDerWaalsContact CB-SG 3.57Å; C79-K83 VanDerWaalsContact O-CA 3.23Å; C79-K83 WeakPolarHBondContact O-CA 3.11Å; C79-K83 PolarHBondContact O-N 2.65Å; C79-T84 WeakPolarHBondContact CB-O 3.43Å; C79-T84 PolarHBondContact N-O 3.36Å; C79-Y86 HydrophobicContact CB-CE1 4.3Å
80	P	82.9	Confident	83	Confident	65 Å²	65	75.5 Å²	75.5	42%	0.422	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.4	179.6	-26.5	34.4	0	0	0	114.2	I39 F61 Y86	I39-P80 HydrophobicContact CD1-CG 4.1Å; F61-P80 HydrophobicContact CD1-CB 4.44Å; F61-P80 HydrophobicContact CD1-CG 4.22Å; F61-P80 HydrophobicContact CE1-CB 3.85Å; F61-P80 HydrophobicContact CE1-CG 3.75Å; F61-P80 HydrophobicContact CZ-CB 4.28Å; P80-Y86 VanDerWaalsContact CD-OH 3.3Å; P80-Y86 WeakPolarHBondContact CD-OH 3.47Å
81	Q	80.8	Confident	82.1	Confident	121 Å²	121	71.1 Å²	71.1	57%	0.565	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-56.4	-175.5	-176.2	159.7	-50.2	0	0	113.5	F61 C79	F61-Q81 HydrophobicContact CB-CB 4.25Å; F61-Q81 HydrophobicContact CD2-CB 3.61Å; F61-Q81 HydrophobicContact CD2-CG 4.28Å; F61-Q81 HydrophobicContact CE2-CB 4.06Å; F61-Q81 VanDerWaalsContact CE2-OE1 3.31Å; F61-Q81 HydrophobicContact CG-CB 3.91Å; C79-Q81 PolarHBondContact O-N 2.88Å; C79-Q81 VanDerWaalsContact O-N 3.14Å
82	C	81.6	Confident	81.5	Confident	46 Å²	46	69.8 Å²	69.8	31%	0.311	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-5.8	-174.7	69	0	0	0	0	114.2	C59 C79 T84	C59-C82 HydrophobicContact CB-CB 3.78Å; C59-C82 PolarHBondContact SG-SG 2.94Å; C79-C82 VanDerWaalsContact CB-SG 3.57Å; C82-T84 PolarHBondContact O-N 3.04Å; C82-T84 VanDerWaalsContact SG-CB 3.51Å; C82-T84 PolarHBondContact SG-OG1 3.32Å
83	K	83.9	Confident	80.7	Confident	166 Å²	166	73.5 Å²	73.5	72%	0.722	37%	0.372	S	S	*	.			trans	58.1	9.7	-174.8	-55.1	-150.6	176.6	-165.2	0	115.5	C79	C79-K83 VanDerWaalsContact O-CA 3.23Å; C79-K83 WeakPolarHBondContact O-CA 3.11Å; C79-K83 PolarHBondContact O-N 2.65Å
84	T	82.9	Confident	80.4	Confident	44 Å²	44	71.2 Å²	71.2	27%	0.27	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-68.8	135.1	170.3	-47.7	0	0	0	0	109.4	E58 C79 C82	E58-T84 HydrophobicContact CG-CG2 4.02Å; E58-T84 PolarHBondContact OE2-OG1 3.23Å; C79-T84 WeakPolarHBondContact CB-O 3.43Å; C79-T84 PolarHBondContact N-O 3.36Å; C82-T84 PolarHBondContact O-N 3.04Å; C82-T84 VanDerWaalsContact SG-CB 3.51Å; C82-T84 PolarHBondContact SG-OG1 3.32Å
85	R	85.6	Confident	80.4	Confident	101 Å²	101	67 Å²	67	38%	0.381	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-61.6	136.9	177.4	-166.7	176.6	-174.4	-140	-6.9	111.1	Q77 N78 K87 A96 G97	Q77-R85 WeakPolarHBondContact O-CA 3.16Å; Q77-R85 WeakPolarHBondContact O-CG 3.43Å; N78-R85 VanDerWaalsContact OD1-CA 3.29Å; N78-R85 WeakPolarHBondContact OD1-CA 3.24Å; R85-K87 PolarHBondContact O-N 3.27Å; R85-A96 PolarHBondContact NH2-O 2.9Å; R85-G97 PolarHBondContact NH1-O 2.93Å; R85-G97 VanDerWaalsContact NH2-C 3.34Å; R85-G97 VanDerWaalsContact NH2-CA 3.28Å; R85-G97 PolarHBondContact NH2-O 3.45Å
86	Y	86.3	Confident	79.8	Confident	9 Å²	9	69.4 Å²	69.4	4%	0.035	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69.4	123.5	177.3	-79	-62.1	0	0	0	111.2	A55 C56 Y68 E71 R72 Q77 N78 C79 P80	A55-Y86 HydrophobicContact CB-CE1 3.8Å; A55-Y86 WeakPolarHBondContact O-CD1 3.42Å; A55-Y86 WeakPolarHBondContact O-CE1 3.2Å; C56-Y86 HydrophobicContact CB-CD1 4.49Å; C56-Y86 HydrophobicContact CB-CE1 3.9Å; Y68-Y86 AromaticContact CD2-CD1 3.87Å; Y68-Y86 HydrophobicContact CD2-CD1 3.87Å; Y68-Y86 HydrophobicContact CD2-CE1 4.19Å; Y68-Y86 HydrophobicContact CD2-CG 4.15Å; Y68-Y86 AromaticContact CE2-CD1 3.97Å; Y68-Y86 HydrophobicContact CE2-CD1 3.97Å; Y68-Y86 HydrophobicContact CE2-CG 4.16Å; E71-Y86 HydrophobicContact CB-CD2 4.4Å; E71-Y86 HydrophobicContact CB-CE2 4.05Å; R72-Y86 HydrophobicContact CG-CD2 4.46Å; R72-Y86 HydrophobicContact CG-CG 4.41Å; Q77-Y86 PolarHBondContact O-N 3.23Å; N78-Y86 WeakPolarHBondContact O-CE2 3.27Å; C79-Y86 HydrophobicContact CB-CE1 4.3Å; P80-Y86 VanDerWaalsContact CD-OH 3.3Å; P80-Y86 WeakPolarHBondContact CD-OH 3.47Å
87	K	81.1	Confident	79.1	Confident	126 Å²	126	66 Å²	66	55%	0.548	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-75.1	155.5	170.3	-67.1	-167	168.2	-161.2	0	111.6	Y68 R85 L89 E101	Y68-K87 PolarHBondContact OH-O 3.45Å; R85-K87 PolarHBondContact O-N 3.27Å; K87-L89 PolarHBondContact O-N 2.81Å; K87-E101 VanDerWaalsContact CD-OE1 3.25Å; K87-E101 WeakPolarHBondContact CD-OE1 3.41Å; K87-E101 VanDerWaalsContact CE-OE1 3.28Å; K87-E101 WeakPolarHBondContact CE-OE1 3.47Å; K87-E101 WeakPolarHBondContact CG-OE1 2.97Å; K87-E101 IonicContact NZ-OE1 3.61Å
88	R	81.5	Confident	78.4	Confident	39 Å²	39	63.9 Å²	63.9	15%	0.147	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72.8	120.8	178.2	-176	174.7	166.7	-110.7	-3.6	110.6	S92 D106	R88-S92 PolarHBondContact NE-O 2.91Å; R88-D106 IonicContact NH2-OD2 3.97Å
89	L	79.4	Confident	77.2	Confident	41 Å²	41	67.2 Å²	67.2	22%	0.215	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-91.3	145.6	171.6	-66.1	172.9	0	0	0	110.4	F53 Y68 K87 G91 S92	F53-L89 HydrophobicContact CD2-CD1 4.32Å; F53-L89 HydrophobicContact CE2-CD1 3.45Å; F53-L89 VanDerWaalsContact CE2-CD1 3.45Å; F53-L89 HydrophobicContact CZ-CD1 3.7Å; Y68-L89 HydrophobicContact CD2-CD1 4.49Å; Y68-L89 HydrophobicContact CE1-CB 4.32Å; Y68-L89 HydrophobicContact CE1-CD1 4.12Å; Y68-L89 HydrophobicContact CE1-CG 4.44Å; Y68-L89 HydrophobicContact CE2-CD1 3.97Å; Y68-L89 HydrophobicContact CE2-CG 4.3Å; Y68-L89 PolarHBondContact OH-N 2.78Å; K87-L89 PolarHBondContact O-N 2.81Å; L89-G91 PolarHBondContact O-N 3.16Å; L89-S92 VanDerWaalsContact O-CB 3.25Å; L89-S92 WeakPolarHBondContact O-CB 3.25Å; L89-S92 PolarHBondContact O-N 3Å; L89-S92 PolarHBondContact O-OG 3.36Å
90	K	69.4	Low	75.8	Confident	118 Å²	118	74 Å²	74	51%	0.513	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	132.6	-179.6	-164.7	174.6	-176.9	175.8	0	111.8	R65 I104 D106	R65-K90 PolarHBondContact NH2-O 3.4Å; K90-I104 HydrophobicContact CG-CG2 4.37Å; K90-D106 WeakPolarHBondContact CE-OD1 3.32Å; K90-D106 WeakPolarHBondContact CG-OD2 3.42Å
91	G	68.7	Low	74.4	Confident	35 Å²	35	75.1 Å²	75.1	36%	0.361	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.1	-174.9	0	0	0	0	0	116.1	L89	L89-G91 PolarHBondContact O-N 3.16Å
92	S	72.8	Confident	72.7	Confident	4 Å²	4	77.8 Å²	77.8	3%	0.028	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-103.7	143.4	175.5	-39.2	0	0	0	0	111.5	R88 L89	R88-S92 PolarHBondContact NE-O 2.91Å; L89-S92 VanDerWaalsContact O-CB 3.25Å; L89-S92 WeakPolarHBondContact O-CB 3.25Å; L89-S92 PolarHBondContact O-N 3Å; L89-S92 PolarHBondContact O-OG 3.36Å
93	P	73.7	Confident	71.2	Confident	88 Å²	88	83.1 Å²	83.1	57%	0.571	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-58.2	150.1	178.1	-22.1	31.8	0	0	0	113.2	R72	R72-P93 PolarHBondContact NH1-O 2.79Å; R72-P93 VanDerWaalsContact NH1-O 3.14Å
94	R	76.7	Confident	69.6	Low	130 Å²	130	78.6 Å²	78.6	49%	0.491	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-70.6	142.8	170.2	-78.4	-176.2	-176.3	-107.6	5.3	110.5	D98 E110	R94-D98 WeakPolarHBondContact CA-OD2 3.18Å; R94-E110 IonicContact CZ-OE1 3.82Å; R94-E110 IonicContact NE-OE1 3.44Å; R94-E110 PolarHBondContact NE-OE1 3.5Å; R94-E110 IonicContact NH2-OE1 3.44Å; R94-E110 PolarHBondContact NH2-OE1 3.36Å
95	V	78.2	Confident	67.8	Low	32 Å²	32	84 Å²	84	19%	0.194	44%	0.439	C	S	.	.			trans	-131.5	161.5	172.3	-95.9	0	0	0	0	111.2	R72 G97 D98	R72-V95 HydrophobicContact CB-CG2 4.07Å; R72-V95 WeakPolarHBondContact O-CG1 3.27Å; V95-G97 PolarHBondContact O-N 2.66Å; V95-G97 VanDerWaalsContact O-N 3.17Å; V95-D98 PolarHBondContact N-OD2 3.31Å; V95-D98 WeakPolarHBondContact O-CB 3.36Å; V95-D98 PolarHBondContact O-N 3.17Å
96	A	69.2	Low	66.1	Low	80 Å²	80	81.2 Å²	81.2	66%	0.661	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	121	-176.4	0	0	0	0	0	111.9	R85	R85-A96 PolarHBondContact NH2-O 2.9Å
97	G	68.2	Low	64.4	Low	24 Å²	24	87 Å²	87	25%	0.247	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	12.1	-177.8	0	0	0	0	0	115.6	R85 V95 D99	R85-G97 PolarHBondContact NH1-O 2.93Å; R85-G97 VanDerWaalsContact NH2-C 3.34Å; R85-G97 VanDerWaalsContact NH2-CA 3.28Å; R85-G97 PolarHBondContact NH2-O 3.45Å; V95-G97 PolarHBondContact O-N 2.66Å; V95-G97 VanDerWaalsContact O-N 3.17Å; G97-D99 PolarHBondContact O-N 3.34Å
98	D	71.7	Confident	62.9	Low	12 Å²	12	89.8 Å²	89.8	6%	0.064	48%	0.477	C	S	.	.			trans	-76.7	8.2	161.8	-73.9	-15.9	0	0	0	112.2	R72 R94 V95 D100	R72-D98 IonicContact CZ-OD2 2.93Å; R72-D98 IonicContact NH2-OD1 2.73Å; R72-D98 PolarHBondContact NH2-OD1 2.75Å; R72-D98 IonicContact NH2-OD2 3.14Å; R72-D98 PolarHBondContact NH2-OD2 3.47Å; R94-D98 WeakPolarHBondContact CA-OD2 3.18Å; V95-D98 PolarHBondContact N-OD2 3.31Å; V95-D98 WeakPolarHBondContact O-CB 3.36Å; V95-D98 PolarHBondContact O-N 3.17Å; D98-D100 PolarHBondContact O-N 2.72Å
99	D	61.4	Low	61.3	Low	129 Å²	129	95 Å²	95	69%	0.69	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.8	-171.1	-59.3	-50.2	0	0	0	114	G97	G97-D99 PolarHBondContact O-N 3.34Å
100	D	56.1	Low	59.5	Low	145 Å²	145	97.9 Å²	97.9	78%	0.775	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	0.5	-174.9	-56.4	-39.8	0	0	0	114.3	D98	D98-D100 PolarHBondContact O-N 2.72Å
101	E	54.2	Low	58	Low	87 Å²	87	99.6 Å²	99.6	41%	0.407	52%	0.523	S	S	.	.			trans	-106.4	88.2	179.2	-65.6	-166.2	152.7	0	0	111.1	K87	K87-E101 VanDerWaalsContact CD-OE1 3.25Å; K87-E101 WeakPolarHBondContact CD-OE1 3.41Å; K87-E101 VanDerWaalsContact CE-OE1 3.28Å; K87-E101 WeakPolarHBondContact CE-OE1 3.47Å; K87-E101 WeakPolarHBondContact CG-OE1 2.97Å; K87-E101 IonicContact NZ-OE1 3.61Å
102	E	45	Very low	56.8	Low	178 Å²	178	104.1 Å²	104.1	83%	0.832	54%	0.539	S	S	*	.			trans	-67	141.1	165.5	-63.3	178	169.4	0	0	109.2
103	D	48.9	Very low	55.4	Low	158 Å²	158	108.4 Å²	108.4	85%	0.845	56%	0.561	S	S	*	*			trans	116.9	20.6	166.9	-56.4	-23.8	0	0	0	120.3
104	I	50.2	Low	54.2	Low	71 Å²	71	109 Å²	109	36%	0.364	56%	0.559	S	S	.	*			trans	-130.8	90.6	166.8	-47.5	176.9	0	0	0	111.8	K90 D106	K90-I104 HydrophobicContact CG-CG2 4.37Å; I104-D106 PolarHBondContact O-N 2.92Å; I104-D106 VanDerWaalsContact O-N 3.08Å
105	D	45.9	Very low	52.7	Low	158 Å²	158	107.5 Å²	107.5	85%	0.845	56%	0.56	S	S	*	*			trans	-70	86.3	174.2	-74.7	-28.5	0	0	0	111.8
106	D	49.6	Very low	50.9	Low	42 Å²	42	113.7 Å²	113.7	23%	0.225	59%	0.587	C	S	.	*			trans	-117.8	77.1	169.9	-65	-22.8	0	0	0	109.6	R88 K90 I104 E108	R88-D106 IonicContact NH2-OD2 3.97Å; K90-D106 WeakPolarHBondContact CE-OD1 3.32Å; K90-D106 WeakPolarHBondContact CG-OD2 3.42Å; I104-D106 PolarHBondContact O-N 2.92Å; I104-D106 VanDerWaalsContact O-N 3.08Å; D106-E108 PolarHBondContact O-N 3.37Å; D106-E108 VanDerWaalsContact O-N 3.15Å
107	L	50.7	Low	49.8	Very low	131 Å²	131	115.8 Å²	115.8	69%	0.686	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-4.4	-179.8	-88.7	156.4	0	0	0	114.9
108	E	50	Low	48.6	Very low	184 Å²	184	119.4 Å²	119.4	86%	0.86	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-5	-175.6	-74.6	-176.5	163	0	0	114.4	D106	D106-E108 PolarHBondContact O-N 3.37Å; D106-E108 VanDerWaalsContact O-N 3.15Å
109	H	47.7	Very low	47.2	Very low	149 Å²	149	128.4 Å²	128.4	69%	0.69	63%	0.625	S	S	*	*	S	Bend	trans	-127.2	14.4	-179.5	-69	-29.5	0	0	0	114.7
110	E	41.7	Very low	46.3	Very low	100 Å²	100	129.4 Å²	129.4	47%	0.467	63%	0.625	S	S	.	*			trans	-94.1	9.5	-167.7	-138.6	168.6	-149.9	0	0	115.6	R94	R94-E110 IonicContact CZ-OE1 3.82Å; R94-E110 IonicContact NE-OE1 3.44Å; R94-E110 PolarHBondContact NE-OE1 3.5Å; R94-E110 IonicContact NH2-OE1 3.44Å; R94-E110 PolarHBondContact NH2-OE1 3.36Å
111	F	38.3	Very low	45.8	Very low	154 Å²	154	128.1 Å²	128.1	68%	0.675	62%	0.618	S	S	*	*			trans	-129.5	68.1	-179.8	-64.3	-76.7	0	0	0	113.8	I113	F111-I113 HydrophobicContact CB-CD1 4.33Å; F111-I113 HydrophobicContact CB-CG1 4.38Å; F111-I113 HydrophobicContact CD1-CD1 4.26Å; F111-I113 PolarHBondContact O-N 3.14Å
112	N	43.4	Very low	45.2	Very low	130 Å²	130	129.5 Å²	129.5	70%	0.695	63%	0.625	S	S	*	*			trans	-75	77	159.9	-88.9	-3.7	0	0	0	109.7	D114	N112-D114 PolarHBondContact O-N 2.7Å
113	I	42.7	Very low	44.7	Very low	95 Å²	95	122.6 Å²	122.6	49%	0.487	60%	0.601	S	S	.	*			trans	-77.7	-0.9	170.5	-65.8	172.3	0	0	0	110.9	F111 K117	F111-I113 HydrophobicContact CB-CD1 4.33Å; F111-I113 HydrophobicContact CB-CG1 4.38Å; F111-I113 HydrophobicContact CD1-CD1 4.26Å; F111-I113 PolarHBondContact O-N 3.14Å; I113-K117 HydrophobicContact CG2-CD 4.3Å
114	D	48.2	Very low	44.5	Very low	99 Å²	99	120.6 Å²	120.6	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-75.9	-29.2	-171.6	-65.9	-33.1	0	0	0	114.1	N112 Q118	N112-D114 PolarHBondContact O-N 2.7Å; D114-Q118 WeakPolarHBondContact O-CB 3.26Å; D114-Q118 WeakPolarHBondContact O-CG 3.15Å; D114-Q118 PolarHBondContact O-N 3.34Å; D114-Q118 PolarHBondContact O-OE1 3.25Å
115	D	45.8	Very low	44.1	Very low	99 Å²	99	121.9 Å²	121.9	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-73.2	-33.2	-176.4	-78	-33.2	0	0	0	113.4	R119	D115-R119 PolarHBondContact O-N 2.99Å
116	E	41	Very low	43.8	Very low	163 Å²	163	120.5 Å²	120.5	76%	0.762	59%	0.585	S	S	*	*	H	α-helix	trans	-82.7	-33.7	176.4	-94.5	-170.7	155.7	0	0	112.8	Q118 Q120	E116-Q118 VanDerWaalsContact C-N 3.35Å; E116-Q120 PolarHBondContact O-N 2.97Å
117	K	44.4	Very low	43.5	Very low	124 Å²	124	123.2 Å²	123.2	54%	0.539	60%	0.599	S	S	.	*	H	α-helix	trans	-67.7	-35.1	169.9	-87.7	-179.4	178.6	174.3	0	111.4	I113 Q120 L121	I113-K117 HydrophobicContact CG2-CD 4.3Å; K117-Q120 PolarHBondContact O-N 2.89Å; K117-L121 WeakPolarHBondContact O-CB 3.42Å; K117-L121 WeakPolarHBondContact O-CD1 3.47Å; K117-L121 PolarHBondContact O-N 3.48Å
118	Q	44.3	Very low	43	Very low	99 Å²	99	120.1 Å²	120.1	46%	0.463	59%	0.588	S	S	.	*	H	α-helix	trans	-61.6	-42.7	174.7	-94.4	169.8	-40.4	0	0	112.4	D114 E116 Q120 L121 E122	D114-Q118 WeakPolarHBondContact O-CB 3.26Å; D114-Q118 WeakPolarHBondContact O-CG 3.15Å; D114-Q118 PolarHBondContact O-N 3.34Å; D114-Q118 PolarHBondContact O-OE1 3.25Å; E116-Q118 VanDerWaalsContact C-N 3.35Å; Q118-Q120 PolarHBondContact O-N 2.94Å; Q118-L121 PolarHBondContact O-N 3.11Å; Q118-E122 VanDerWaalsContact O-CB 3.31Å; Q118-E122 WeakPolarHBondContact O-CB 3Å; Q118-E122 VanDerWaalsContact O-CG 3.25Å; Q118-E122 WeakPolarHBondContact O-CG 3.25Å; Q118-E122 PolarHBondContact O-N 3.36Å
119	R	42.1	Very low	42.7	Very low	202 Å²	202	116.8 Å²	116.8	76%	0.762	57%	0.573	S	S	*	*	H	α-helix	trans	-66.7	-33.1	177.2	-72.4	-177.7	-179.1	-178.1	2.5	113.5	D115 G123	D115-R119 PolarHBondContact O-N 2.99Å; R119-G123 PolarHBondContact O-N 3.31Å
120	Q	42.4	Very low	42.5	Very low	149 Å²	149	114 Å²	114	70%	0.696	56%	0.562	S	S	*	*	H	α-helix	trans	-77.2	-31.5	174.5	-73.5	-174.3	-0.5	0	0	113	E116 K117 Q118 N124	E116-Q120 PolarHBondContact O-N 2.97Å; K117-Q120 PolarHBondContact O-N 2.89Å; Q118-Q120 PolarHBondContact O-N 2.94Å; Q120-N124 PolarHBondContact O-N 3.02Å; Q120-N124 PolarHBondContact O-ND2 3.28Å
121	L	45.6	Very low	42.5	Very low	119 Å²	119	112.9 Å²	112.9	62%	0.623	56%	0.562	S	S	*	*	H	α-helix	trans	-74.5	-37.8	174.2	-88.4	151	0	0	0	112.3	K117 Q118 N124 M125	K117-L121 WeakPolarHBondContact O-CB 3.42Å; K117-L121 WeakPolarHBondContact O-CD1 3.47Å; K117-L121 PolarHBondContact O-N 3.48Å; Q118-L121 PolarHBondContact O-N 3.11Å; L121-N124 PolarHBondContact O-N 2.99Å; L121-M125 WeakPolarHBondContact O-CB 3.4Å; L121-M125 PolarHBondContact O-N 3.11Å
122	E	40.9	Very low	42.7	Very low	116 Å²	116	111.8 Å²	111.8	54%	0.542	56%	0.559	S	S	.	*	H	α-helix	trans	-64.2	-38.8	174.8	-77.3	177.2	168.7	0	0	112	Q118 N124 M125 Q126	Q118-E122 VanDerWaalsContact O-CB 3.31Å; Q118-E122 WeakPolarHBondContact O-CB 3Å; Q118-E122 VanDerWaalsContact O-CG 3.25Å; Q118-E122 WeakPolarHBondContact O-CG 3.25Å; Q118-E122 PolarHBondContact O-N 3.36Å; E122-N124 PolarHBondContact O-N 3.07Å; E122-M125 PolarHBondContact O-N 3.18Å; E122-Q126 PolarHBondContact O-N 2.97Å; E122-Q126 VanDerWaalsContact O-N 3.08Å
123	G	35.7	Very low	42.6	Very low	33 Å²	33	109 Å²	109	34%	0.34	55%	0.554	S	S	.	*	H	α-helix	trans	-66.3	-32.7	174.6	0	0	0	0	0	114.1	R119	R119-G123 PolarHBondContact O-N 3.31Å
124	N	43.2	Very low	42.4	Very low	116 Å²	116	111.2 Å²	111.2	62%	0.62	56%	0.564	S	S	*	*	H	α-helix	trans	-82.5	-29.3	176.8	-77.8	-25.2	0	0	0	112.8	Q120 L121 E122 N127 S128	Q120-N124 PolarHBondContact O-N 3.02Å; Q120-N124 PolarHBondContact O-ND2 3.28Å; L121-N124 PolarHBondContact O-N 2.99Å; E122-N124 PolarHBondContact O-N 3.07Å; N124-N127 PolarHBondContact O-N 3.33Å; N124-S128 PolarHBondContact O-N 3.33Å; N124-S128 VanDerWaalsContact O-N 3.15Å
125	M	41.8	Very low	42	Very low	98 Å²	98	113.2 Å²	113.2	48%	0.483	57%	0.574	S	S	.	*	H	α-helix	trans	-75	-34.9	177.2	-156	166.8	85.2	0	0	112.2	L121 E122 S128 Q129	L121-M125 WeakPolarHBondContact O-CB 3.4Å; L121-M125 PolarHBondContact O-N 3.11Å; E122-M125 PolarHBondContact O-N 3.18Å; M125-S128 PolarHBondContact O-N 3.11Å; M125-Q129 WeakPolarHBondContact O-CG 3.36Å; M125-Q129 PolarHBondContact O-N 3.14Å
126	Q	41.2	Very low	41.7	Very low	129 Å²	129	117.2 Å²	117.2	60%	0.603	59%	0.589	S	S	*	*	H	α-helix	trans	-64.3	-38.9	170.7	-81.7	177.4	-7.6	0	0	112.3	E122 Q129 I130	E122-Q126 PolarHBondContact O-N 2.97Å; E122-Q126 VanDerWaalsContact O-N 3.08Å; Q126-Q129 PolarHBondContact O-N 3.42Å; Q126-I130 WeakPolarHBondContact O-CD1 3.36Å; Q126-I130 WeakPolarHBondContact O-CG1 3.4Å; Q126-I130 PolarHBondContact O-N 3.48Å
127	N	41.7	Very low	41.2	Very low	99 Å²	99	112.1 Å²	112.1	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-67.5	-36.2	175.5	-83.3	-25.9	0	0	0	112.7	N124 T131	N124-N127 PolarHBondContact O-N 3.33Å; N127-T131 WeakPolarHBondContact O-CB 3.31Å; N127-T131 PolarHBondContact O-N 2.82Å; N127-T131 VanDerWaalsContact O-N 3.08Å; N127-T131 PolarHBondContact O-OG1 2.83Å
128	S	41.2	Very low	40.6	Very low	66 Å²	66	115.1 Å²	115.1	46%	0.462	59%	0.594	S	S	.	*	H	α-helix	trans	-69.5	-38	175.3	-163.8	0	0	0	0	112.6	N124 M125 T131 E132	N124-S128 PolarHBondContact O-N 3.33Å; N124-S128 VanDerWaalsContact O-N 3.15Å; M125-S128 PolarHBondContact O-N 3.11Å; S128-T131 PolarHBondContact O-N 2.93Å; S128-E132 PolarHBondContact O-N 3.33Å
129	Q	42.8	Very low	39.9	Very low	113 Å²	113	119 Å²	119	53%	0.528	61%	0.614	S	S	.	*	H	α-helix	trans	-71	-33	176.6	-72.9	178.9	0.7	0	0	112.8	M125 Q126 T131 A133	M125-Q129 WeakPolarHBondContact O-CG 3.36Å; M125-Q129 PolarHBondContact O-N 3.14Å; Q126-Q129 PolarHBondContact O-N 3.42Å; Q129-T131 VanDerWaalsContact C-N 3.33Å; Q129-A133 WeakPolarHBondContact O-CB 3.49Å; Q129-A133 PolarHBondContact O-N 3.31Å
130	I	45.1	Very low	39.5	Very low	91 Å²	91	115.2 Å²	115.2	47%	0.467	62%	0.619	S	S	.	*	H	α-helix	trans	-67.2	-36.9	170.7	-67.6	164	0	0	0	110.4	Q126 M134	Q126-I130 WeakPolarHBondContact O-CD1 3.36Å; Q126-I130 WeakPolarHBondContact O-CG1 3.4Å; Q126-I130 PolarHBondContact O-N 3.48Å; I130-M134 HydrophobicContact CG2-CE 4.43Å; I130-M134 HydrophobicContact CG2-CG 4.46Å; I130-M134 HydrophobicContact CG2-SD 4.22Å; I130-M134 VanDerWaalsContact O-CB 3.24Å; I130-M134 WeakPolarHBondContact O-CB 3.26Å; I130-M134 VanDerWaalsContact O-CG 3.22Å; I130-M134 WeakPolarHBondContact O-CG 3.41Å; I130-M134 PolarHBondContact O-N 3.44Å
131	T	40.1	Very low	39.2	Very low	77 Å²	77	118.5 Å²	118.5	47%	0.472	63%	0.626	S	S	.	*	H	α-helix	trans	-72.6	-39.8	179.5	-44.2	0	0	0	0	112.1	N127 S128 Q129 M134 L135	N127-T131 WeakPolarHBondContact O-CB 3.31Å; N127-T131 PolarHBondContact O-N 2.82Å; N127-T131 VanDerWaalsContact O-N 3.08Å; N127-T131 PolarHBondContact O-OG1 2.83Å; S128-T131 PolarHBondContact O-N 2.93Å; Q129-T131 VanDerWaalsContact C-N 3.33Å; T131-M134 PolarHBondContact O-N 3.08Å; T131-L135 HydrophobicContact CG2-CD1 4.27Å; T131-L135 WeakPolarHBondContact O-CB 3.37Å; T131-L135 WeakPolarHBondContact O-CD1 3.46Å; T131-L135 VanDerWaalsContact O-CG 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.48Å; T131-L135 PolarHBondContact O-N 3Å
132	E	42.8	Very low	38.6	Very low	130 Å²	130	116.2 Å²	116.2	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-70.1	-35.4	173.2	-81.3	-174.3	144.2	0	0	112.9	S128 L135 H136	S128-E132 PolarHBondContact O-N 3.33Å; E132-L135 PolarHBondContact O-N 2.87Å; E132-H136 PolarHBondContact O-N 3.46Å
133	A	41.2	Very low	38.3	Very low	72 Å²	72	122.9 Å²	122.9	60%	0.595	65%	0.652	S	S	*	*	H	α-helix	trans	-71.2	-31.5	172.6	0	0	0	0	0	112.7	Q129	Q129-A133 WeakPolarHBondContact O-CB 3.49Å; Q129-A133 PolarHBondContact O-N 3.31Å
134	M	38.9	Very low	38.1	Very low	142 Å²	142	125.3 Å²	125.3	70%	0.7	68%	0.676	S	S	*	*	H	α-helix	trans	-72.3	-29	173.2	-82.6	-174.2	162	0	0	113.1	I130 T131	I130-M134 HydrophobicContact CG2-CE 4.43Å; I130-M134 HydrophobicContact CG2-CG 4.46Å; I130-M134 HydrophobicContact CG2-SD 4.22Å; I130-M134 VanDerWaalsContact O-CB 3.24Å; I130-M134 WeakPolarHBondContact O-CB 3.26Å; I130-M134 VanDerWaalsContact O-CG 3.22Å; I130-M134 WeakPolarHBondContact O-CG 3.41Å; I130-M134 PolarHBondContact O-N 3.44Å; T131-M134 PolarHBondContact O-N 3.08Å
135	L	40.2	Very low	37.6	Very low	140 Å²	140	124.3 Å²	124.3	73%	0.733	68%	0.684	S	S	*	*	H	α-helix	trans	-82.2	-22.3	179.6	-76.7	162.9	0	0	0	113.6	T131 E132	T131-L135 HydrophobicContact CG2-CD1 4.27Å; T131-L135 WeakPolarHBondContact O-CB 3.37Å; T131-L135 WeakPolarHBondContact O-CD1 3.46Å; T131-L135 VanDerWaalsContact O-CG 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.48Å; T131-L135 PolarHBondContact O-N 3Å; E132-L135 PolarHBondContact O-N 2.87Å
136	H	38.2	Very low	37.4	Very low	183 Å²	183	127 Å²	127	85%	0.847	70%	0.7	S	S	*	*	S	Bend	trans	-92.4	-3.2	174.6	-94.8	-81.2	0	0	0	114.8	E132	E132-H136 PolarHBondContact O-N 3.46Å
137	G	32.5	Very low	37.1	Very low	56 Å²	56	128.4 Å²	128.4	58%	0.577	71%	0.712	S	S	*	*	S	Bend	trans	-104.1	-2.6	-169.5	0	0	0	0	0	118.1
138	K	30.3	Very low	36.7	Very low	188 Å²	188	127.4 Å²	127.4	82%	0.817	73%	0.726	S	S	*	*			trans	-147.8	88.4	-174.1	-75	-176.6	177.4	172.2	0	114
139	M	29.4	Very low	36.2	Very low	179 Å²	179	134 Å²	134	88%	0.882	75%	0.749	S	S	*	*			trans	-159.5	87.2	145.7	-81.2	-136.2	-172	0	0	110.8	Y141	M139-Y141 HydrophobicContact SD-CE2 4.48Å
140	S	34.7	Very low	35.7	Very low	124 Å²	124	132.3 Å²	132.3	87%	0.867	76%	0.761	S	S	*	*			trans	-126.8	119.1	153.1	-174.8	0	0	0	0	107.3
141	Y	34.9	Very low	35	Very low	218 Å²	218	135.4 Å²	135.4	86%	0.855	78%	0.779	S	S	*	*			trans	-87.5	121.1	179.6	-98.3	-94.4	0	0	0	110.4	M139	M139-Y141 HydrophobicContact SD-CE2 4.48Å
142	G	33	Very low	34.7	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	80%	0.798	S	S	*	*			trans	91	100.7	134.1	0	0	0	0	0	120.3
143	R	35.2	Very low	34.1	Very low	256 Å²	256	139.5 Å²	139.5	97%	0.966	81%	0.807	S	S	*	*				171.5	126.8	111.5	-100.9	-174.5	179.5	-176.1	0.3	112.2
144	G	32.3	Very low	33.9	Very low	83 Å²	83	142.2 Å²	142.2	86%	0.856	82%	0.819	S	S	*	*			trans	87.5	121.4	141.4	0	0	0	0	0	118.4
145	A	32.3	Very low	33.5	Very low	96 Å²	96	144.7 Å²	144.7	79%	0.793	83%	0.829	S	S	*	*			trans	-78.1	143.5	176	0	0	0	0	0	113.1
146	D	36.5	Very low	33.1	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	84%	0.835	S	S	*	*				179.6	158.3	103.2	-115	-10	0	0	0	110.5
147	D	35.5	Very low	33	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	83%	0.83	S	S	*	*			trans	-71.4	158.6	-160.4	-58.6	-54.3	0	0	0	116.8
148	G	33.3	Very low	32.9	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	84%	0.84	S	S	*	*			trans	158.2	96	162.9	0	0	0	0	0	116.1
149	E	31.5	Very low	32.9	Very low	205 Å²	205	144.8 Å²	144.8	96%	0.958	84%	0.839	S	S	*	*			trans	-26.6	144.7	170.1	-61.8	172.7	142.7	0	0	119.4
150	G	32.8	Very low	33	Very low	76 Å²	76	143.8 Å²	143.8	78%	0.784	84%	0.836	S	S	*	*			trans	147.7	108	152	0	0	0	0	0	116.2
151	N	29.1	Very low	32.8	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	84%	0.836	S	S	*	*			trans	-16.3	123.8	166.4	-77.9	-23.8	0	0	0	116.8
152	N	33.3	Very low	32.5	Very low	162 Å²	162	137.6 Å²	137.6	87%	0.866	83%	0.83	S	S	*	*			trans	-172.3	138	137.2	-90	-30.6	0	0	0	112.6
153	T	31.6	Very low	32.5	Very low	130 Å²	130	139 Å²	139	80%	0.798	83%	0.834	S	S	*	*			trans	-59.2	139.1	174.4	31	0	0	0	0	113.1	Q155	T153-Q155 PolarHBondContact O-N 3.19Å
154	P	37.3	Very low	32.3	Very low	129 Å²	129	138.3 Å²	138.3	84%	0.838	83%	0.832	S	S	*	*			trans	-88	107.3	171.7	9.7	7.2	0	0	0	111.2	M156	P154-M156 PolarHBondContact O-N 2.8Å
155	Q	29.7	Very low	32.3	Very low	195 Å²	195	140 Å²	140	91%	0.911	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-53	123.2	159.9	-97.3	168.9	-27.9	0	0	111	T153	T153-Q155 PolarHBondContact O-N 3.19Å
156	M	31.3	Very low	32.4	Very low	176 Å²	176	141.2 Å²	141.2	87%	0.867	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-89.3	144	153.4	-77	-163.1	-168.5	0	0	109.4	P154	P154-M156 PolarHBondContact O-N 2.8Å
157	P	36.2	Very low	32.3	Very low	113 Å²	113	139.7 Å²	139.7	73%	0.734	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.7	145.7	-176.1	29.4	-32.8	0	0	0	111.6	I159	P157-I159 PolarHBondContact O-N 2.97Å
158	P	30	Very low	32	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.2	123.1	-175.3	31.9	-30.8	0	0	0	110.2
159	I	31.4	Very low	32.1	Very low	157 Å²	157	140.8 Å²	140.8	81%	0.805	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-84.7	117.7	165.7	-67.7	174.5	0	0	0	107.4	P157 T161	P157-I159 PolarHBondContact O-N 2.97Å; I159-T161 PolarHBondContact O-N 3.01Å
160	I	31.4	Very low	32.1	Very low	158 Å²	158	134.9 Å²	134.9	81%	0.81	82%	0.822	S	S	*	*			trans	-64.9	109.4	179.7	-64.5	165.2	0	0	0	109.2
161	T	31.1	Very low	32.1	Very low	141 Å²	141	139.8 Å²	139.8	87%	0.865	82%	0.824	S	S	*	*			trans	-100.5	95.9	158.1	36.8	0	0	0	0	108.1	I159	I159-T161 PolarHBondContact O-N 3.01Å
162	G	28.8	Very low	32.3	Very low	71 Å²	71	142.5 Å²	142.5	73%	0.732	83%	0.829	S	S	*	*			trans	-94	106.7	171	0	0	0	0	0	110.1
163	A	32.1	Very low	32.3	Very low	100 Å²	100	140 Å²	140	83%	0.826	82%	0.822	S	S	*	*			trans	-154.1	88.3	154.6	0	0	0	0	0	107.4
164	R	30.2	Very low	32.2	Very low	243 Å²	243	140.8 Å²	140.8	92%	0.917	82%	0.82	S	S	*	*			trans	-85.7	109.9	163.9	-93.2	-178.1	170.6	177	-3.2	107.1	V166	R164-V166 PolarHBondContact O-N 3.08Å
165	S	32.9	Very low	31.9	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-69.3	117	160.2	51.1	0	0	0	0	109
166	V	33.9	Very low	32	Very low	123 Å²	123	139.7 Å²	139.7	75%	0.745	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-88	130.8	170.4	176.7	0	0	0	0	108.2	R164	R164-V166 PolarHBondContact O-N 3.08Å
167	P	35.3	Very low	32	Very low	120 Å²	120	135 Å²	135	78%	0.779	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.1	125.5	169	30.6	-28	0	0	0	110	S169	P167-S169 PolarHBondContact O-N 3.29Å
168	V	29.7	Very low	31.9	Very low	138 Å²	138	141 Å²	141	84%	0.836	82%	0.824	S	S	*	*			trans	-78.4	110.6	170.8	174.6	0	0	0	0	108.5
169	S	34.8	Very low	32	Very low	124 Å²	124	138.4 Å²	138.4	87%	0.867	82%	0.821	S	S	*	*			trans	-165.1	108.7	156	-78.6	0	0	0	0	108.1	P167	P167-S169 PolarHBondContact O-N 3.29Å
170	G	31.6	Very low	32.1	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	83%	0.828	S	S	*	*			trans	-130.2	101.3	180	0	0	0	0	0	110.6
171	E	32.9	Very low	32.2	Very low	179 Å²	179	136.6 Å²	136.6	84%	0.836	82%	0.823	S	S	*	*			trans	-136.4	112.7	157.8	-78.5	-171	160.2	0	0	107
172	F	32.3	Very low	32.3	Very low	214 Å²	214	138.7 Å²	138.7	94%	0.939	82%	0.823	S	S	*	*			trans	-154.2	142.2	150.8	-82.7	-64.4	0	0	0	110.4
173	P	34.6	Very low	32.2	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	83%	0.83	S	S	*	*			trans	-92.7	146.3	-167.1	36.1	-33.8	0	0	0	114.4
174	I	28.4	Very low	32.2	Very low	147 Å²	147	143.3 Å²	143.3	75%	0.754	82%	0.824	S	S	*	*			trans	21.4	119.5	137.1	-52.4	172.9	0	0	0	117.2
175	T	31.4	Very low	32.1	Very low	144 Å²	144	136.4 Å²	136.4	88%	0.883	81%	0.813	S	S	*	*				-168.2	138.8	124.4	20.2	0	0	0	0	113
176	N	31.3	Very low	32.1	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	81%	0.808	S	S	*	*			trans	-73.6	155.2	-174.1	-72.4	-32.4	0	0	0	114.4
177	G	32.8	Very low	32.1	Very low	77 Å²	77	136.2 Å²	136.2	79%	0.794	81%	0.806	S	S	*	*			trans	-175.4	102.6	163.6	0	0	0	0	0	113.7
178	Y	32.2	Very low	32.1	Very low	238 Å²	238	137.1 Å²	137.1	93%	0.933	80%	0.8	S	S	*	*			trans	-57.8	155.2	179.2	-81.1	-105.2	0	0	0	115.8
179	G	33.3	Very low	32.2	Very low	69 Å²	69	138.5 Å²	138.5	71%	0.711	79%	0.794	S	S	*	*			trans	153.6	92.3	149.4	0	0	0	0	0	118.1
180	H	34.1	Very low	32.1	Very low	208 Å²	208	142.4 Å²	142.4	96%	0.963	79%	0.79	S	S	*	*			trans	20.9	138.9	140.1	-87.5	-88.5	0	0	0	122.8
181	G	32	Very low	32	Very low	69 Å²	69	146.6 Å²	146.6	71%	0.711	79%	0.792	S	S	*	*			trans	133.6	94.2	131.3	0	0	0	0	0	119.2
182	E	33	Very low	32	Very low	184 Å²	184	146 Å²	146	86%	0.86	79%	0.789	S	S	*	*			trans	30.1	124	138.4	-63.7	-179	152.9	0	0	124.2
183	L	27.9	Very low	32.2	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	78%	0.777	S	S	*	*				30.4	121.1	130	-75.3	140.1	0	0	0	121.9
184	S	30.5	Very low	32.1	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	78%	0.781	S	S	*	*				150.7	123.9	106.4	-164.5	0	0	0	0	115.1
185	S	29.8	Very low	32.5	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	79%	0.786	S	S	*	*			trans	55.9	121.5	138.5	74.3	0	0	0	0	123.3
186	S	31.7	Very low	32.6	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	78%	0.777	S	S	*	*				119.7	145.9	112	76.9	0	0	0	0	120.4
187	L	34.2	Very low	32.8	Very low	135 Å²	135	141.1 Å²	141.1	71%	0.707	78%	0.775	S	S	*	*			trans	80.8	134	168.3	-75.7	74.6	0	0	0	117.6
188	H	34.8	Very low	32.9	Very low	140 Å²	140	146.4 Å²	146.4	65%	0.648	78%	0.779	S	S	*	*			cis	-175.1	152.8	8.3	-110.1	-25.4	0	0	0	113.1
189	K	33.2	Very low	33	Very low	166 Å²	166	141.4 Å²	141.4	72%	0.722	78%	0.775	S	S	*	*			trans	69	137.6	146.9	-71.6	170.1	175.4	172.1	0	118.9
190	R	31.8	Very low	33.1	Very low	207 Å²	207	141.6 Å²	141.6	78%	0.781	78%	0.777	S	S	*	*			cis	-165	135.5	27.6	-132.2	-179.5	-78	-166.6	-2.3	109.8
191	I	29.1	Very low	33	Very low	168 Å²	168	137.6 Å²	137.6	86%	0.862	77%	0.773	S	S	*	*			trans	-125.9	139.5	166.7	-70.6	167.5	0	0	0	106.4
192	H	33.7	Very low	33	Very low	167 Å²	167	139.2 Å²	139.2	77%	0.773	78%	0.779	S	S	*	*			trans	-116.6	151.7	176.4	-103.8	-79.9	0	0	0	112.6
193	P	36.7	Very low	32.8	Very low	106 Å²	106	139.6 Å²	139.6	69%	0.688	78%	0.778	S	S	*	*			trans	-119.3	161	-157.5	37.1	-20.5	0	0	0	116.9
194	Y	32.1	Very low	33	Very low	203 Å²	203	143 Å²	143	80%	0.796	78%	0.779	S	S	*	*			trans	13	158.2	150	-89	-83.1	0	0	0	123.6	V196	Y194-V196 HydrophobicContact CD1-CG2 3.62Å; Y194-V196 HydrophobicContact CE1-CG2 3.86Å; Y194-V196 HydrophobicContact CG-CG2 4.44Å
195	P	37.2	Very low	33.1	Very low	132 Å²	132	143.4 Å²	143.4	86%	0.857	77%	0.774	S	S	*	*				-140.8	158.6	98.6	29.5	-9.8	0	0	0	117.2
196	V	32.2	Very low	33.4	Very low	116 Å²	116	148 Å²	148	70%	0.703	78%	0.784	S	S	*	*			trans	-106.8	146.9	-172.7	168.3	0	0	0	0	111.1	Y194	Y194-V196 HydrophobicContact CD1-CG2 3.62Å; Y194-V196 HydrophobicContact CE1-CG2 3.86Å; Y194-V196 HydrophobicContact CG-CG2 4.44Å
197	S	36.8	Very low	33.7	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	79%	0.791	S	S	*	*			trans	167.6	134.2	146.1	32.2	0	0	0	0	108.4
198	E	34.7	Very low	33.9	Very low	188 Å²	188	153.2 Å²	153.2	88%	0.879	79%	0.788	S	S	*	*			cis	-149.5	161.5	25.3	-64.5	-176.8	129.8	0	0	111.9
199	P	34.6	Very low	34.2	Very low	133 Å²	133	154.7 Å²	154.7	86%	0.864	80%	0.796	S	S	*	*			trans	-108.2	153.2	-172.2	38.1	-27.7	0	0	0	114.7
200	G	34	Very low	34.8	Very low	73 Å²	73	151.7 Å²	151.7	75%	0.753	79%	0.791	S	S	*	*			trans	-177.3	99.3	168.3	0	0	0	0	0	116.8
201	S	32.1	Very low	35.2	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	77%	0.772	S	S	*	*			trans	51.7	117.9	145.2	128.7	0	0	0	0	118.2
202	A	32.5	Very low	35.8	Very low	102 Å²	102	145.3 Å²	145.3	84%	0.843	76%	0.764	S	S	*	*				-161.9	139.3	66.1	0	0	0	0	0	112.8
203	K	29.7	Very low	36.8	Very low	192 Å²	192	144.6 Å²	144.6	84%	0.835	76%	0.759	S	S	*	*			trans	-94.2	121.6	-173.5	171.1	-164.4	-165.5	179.6	0	110.2
204	W	32.1	Very low	38	Very low	238 Å²	238	146.2 Å²	146.2	90%	0.902	76%	0.757	S	S	*	*			trans	-156.9	114.6	150.1	-85.3	94.9	0	0	0	112.1
205	D	32.5	Very low	39.3	Very low	111 Å²	111	145 Å²	145	59%	0.594	75%	0.751	S	S	*	*			trans	66.7	75.3	149.3	-74.9	-11.1	0	0	0	123.1	K207	D205-K207 VanDerWaalsContact C-N 3.34Å
206	E	35.9	Very low	40.6	Very low	195 Å²	195	143.8 Å²	143.8	91%	0.911	74%	0.736	S	S	*	*	S	Bend	trans	-86.9	9.3	160.2	-111.8	178.6	176.4	0	0	114.3
207	K	38.5	Very low	42.2	Very low	196 Å²	196	142.9 Å²	142.9	85%	0.852	73%	0.727	S	S	*	*	S	Bend	trans	-95.9	0.5	-174.3	-112.1	-179.7	-179.3	179.8	0	115.9	D205	D205-K207 VanDerWaalsContact C-N 3.34Å
208	K	38.2	Very low	43.2	Very low	148 Å²	148	141.3 Å²	141.3	64%	0.643	71%	0.71	S	S	*	*	S	Bend	trans	-99.7	-26	-177.3	-93.3	179.7	176.5	169.9	0	115.5	V210 W212	K208-V210 PolarHBondContact O-N 3.05Å; K208-W212 VanDerWaalsContact O-CD1 3.28Å
209	E	40.8	Very low	43.8	Very low	171 Å²	171	140 Å²	140	80%	0.799	70%	0.697	S	S	*	*	H	α-helix	trans	-73.3	-28.8	-171.2	-74.6	-167.9	149.3	0	0	114.9	S211	E209-S211 PolarHBondContact O-N 3.07Å
210	V	44.7	Very low	44.9	Very low	104 Å²	104	140.3 Å²	140.3	63%	0.63	69%	0.685	S	S	*	*	H	α-helix	trans	-71.1	-30.8	-177.7	-174.6	0	0	0	0	112.4	K208 W212	K208-V210 PolarHBondContact O-N 3.05Å; V210-W212 PolarHBondContact O-N 2.89Å
211	S	42	Very low	45.7	Very low	53 Å²	53	140.6 Å²	140.6	37%	0.371	68%	0.675	S	S	.	*	H	α-helix	trans	-75.5	-24.2	-177.9	-176.6	0	0	0	0	114.2	E209 R215	E209-S211 PolarHBondContact O-N 3.07Å; S211-R215 PolarHBondContact O-N 2.99Å; S211-R215 PolarHBondContact OG-NH1 3.4Å
212	W	41.1	Very low	46.6	Very low	187 Å²	187	141.7 Å²	141.7	71%	0.708	66%	0.664	S	S	*	*	H	α-helix	trans	-78.9	-30	179	-75	82.5	0	0	0	112.5	K208 V210 M216	K208-W212 VanDerWaalsContact O-CD1 3.28Å; V210-W212 PolarHBondContact O-N 2.89Å; W212-M216 PolarHBondContact O-N 3.18Å; W212-M216 VanDerWaalsContact O-N 3.12Å
213	K	55.2	Low	47.3	Very low	152 Å²	152	143.4 Å²	143.4	66%	0.661	66%	0.655	S	S	*	*	H	α-helix	trans	-71.6	-44.9	179.6	-165.3	160.7	-178.3	160.2	0	111.8	R215 M216 D217	K213-R215 VanDerWaalsContact C-N 3.34Å; K213-R215 PolarHBondContact O-N 2.76Å; K213-M216 PolarHBondContact O-N 3.4Å; K213-D217 PolarHBondContact O-N 3.08Å; K213-D217 VanDerWaalsContact O-N 3.17Å
214	E	61.1	Low	47.7	Very low	140 Å²	140	137.4 Å²	137.4	65%	0.654	65%	0.647	S	S	*	*	H	α-helix	trans	-64.3	-35.7	175.1	-69.8	179.3	162.2	0	0	112.7	D218	E214-D218 PolarHBondContact O-N 3.35Å; E214-D218 VanDerWaalsContact O-N 3.08Å
215	R	59.2	Low	48	Very low	177 Å²	177	133 Å²	133	67%	0.668	64%	0.64	S	S	*	*	H	α-helix	trans	-68.8	-32.2	174.1	-90.1	-170.3	177.9	110.8	-2.5	113.6	S211 K213 W219	S211-R215 PolarHBondContact O-N 2.99Å; S211-R215 PolarHBondContact OG-NH1 3.4Å; K213-R215 VanDerWaalsContact C-N 3.34Å; K213-R215 PolarHBondContact O-N 2.76Å; R215-W219 WeakPolarHBondContact O-CB 3.47Å; R215-W219 PolarHBondContact O-N 3.41Å; R215-W219 VanDerWaalsContact O-N 3.07Å
216	M	65.3	Low	48.2	Very low	108 Å²	108	136.5 Å²	136.5	53%	0.532	66%	0.658	S	S	.	*	H	α-helix	trans	-70.8	-38.2	177.8	-168	81.1	80.2	0	0	111.1	W212 K213 W219 K220	W212-M216 PolarHBondContact O-N 3.18Å; W212-M216 VanDerWaalsContact O-N 3.12Å; K213-M216 PolarHBondContact O-N 3.4Å; M216-W219 PolarHBondContact O-N 2.94Å; M216-K220 PolarHBondContact O-N 2.98Å
217	D	64	Low	48.1	Very low	96 Å²	96	131.1 Å²	131.1	51%	0.513	65%	0.654	S	S	.	*	H	α-helix	trans	-74	-35	178.4	-67.8	-24	0	0	0	111.9	K213 W219 K220 S221	K213-D217 PolarHBondContact O-N 3.08Å; K213-D217 VanDerWaalsContact O-N 3.17Å; D217-W219 VanDerWaalsContact C-N 3.34Å; D217-K220 PolarHBondContact O-N 3.13Å; D217-S221 PolarHBondContact O-N 3.38Å
218	D	58.2	Low	47.6	Very low	80 Å²	80	126 Å²	126	43%	0.428	66%	0.657	S	S	.	*	H	α-helix	trans	-69.5	-29.4	171.5	-163.8	56.2	0	0	0	112.6	E214 S221 K222	E214-D218 PolarHBondContact O-N 3.35Å; E214-D218 VanDerWaalsContact O-N 3.08Å; D218-S221 PolarHBondContact O-OG 3.46Å; D218-K222 WeakPolarHBondContact O-CG 3.39Å; D218-K222 PolarHBondContact O-N 3.46Å; D218-K222 IonicContact OD1-NZ 3.81Å; D218-K222 IonicContact OD2-NZ 2.71Å; D218-K222 PolarHBondContact OD2-NZ 3.14Å
219	W	48.8	Very low	47.2	Very low	160 Å²	160	122.8 Å²	122.8	61%	0.606	67%	0.666	S	S	*	*	H	α-helix	trans	-73.6	-36.3	173.4	-164.4	67.7	0	0	0	112.3	R215 M216 D217	R215-W219 WeakPolarHBondContact O-CB 3.47Å; R215-W219 PolarHBondContact O-N 3.41Å; R215-W219 VanDerWaalsContact O-N 3.07Å; M216-W219 PolarHBondContact O-N 2.94Å; D217-W219 VanDerWaalsContact C-N 3.34Å
220	K	56.8	Low	46.7	Very low	140 Å²	140	118.9 Å²	118.9	61%	0.609	67%	0.672	S	S	*	*	H	α-helix	trans	-70.2	-36.8	174.1	-80.3	-178.8	176	179	0	113	M216 D217 K222 Q223	M216-K220 PolarHBondContact O-N 2.98Å; D217-K220 PolarHBondContact O-N 3.13Å; K220-K222 VanDerWaalsContact C-N 3.29Å; K220-K222 PolarHBondContact O-N 3.27Å; K220-Q223 PolarHBondContact O-N 2.83Å
221	S	51.1	Low	46.1	Very low	79 Å²	79	117.7 Å²	117.7	55%	0.552	68%	0.681	S	S	*	*	H	α-helix	trans	-67	-32.3	177.6	84.7	0	0	0	0	112.2	D217 D218	D217-S221 PolarHBondContact O-N 3.38Å; D218-S221 PolarHBondContact O-OG 3.46Å
222	K	50.9	Low	45.7	Very low	147 Å²	147	122.5 Å²	122.5	64%	0.639	70%	0.702	S	S	*	*	H	α-helix	trans	-79.1	-11.8	-178.7	-78	172.3	178.6	156.5	0	115.4	D218 K220	D218-K222 WeakPolarHBondContact O-CG 3.39Å; D218-K222 PolarHBondContact O-N 3.46Å; D218-K222 IonicContact OD1-NZ 3.81Å; D218-K222 IonicContact OD2-NZ 2.71Å; D218-K222 PolarHBondContact OD2-NZ 3.14Å; K220-K222 VanDerWaalsContact C-N 3.29Å; K220-K222 PolarHBondContact O-N 3.27Å
223	Q	47.8	Very low	45.5	Very low	138 Å²	138	118.5 Å²	118.5	65%	0.645	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-3.4	173.4	-84.1	-172.5	-18.1	0	0	114	K220 I225	K220-Q223 PolarHBondContact O-N 2.83Å; Q223-I225 PolarHBondContact O-N 3.45Å
224	G	37.6	Very low	44.8	Very low	65 Å²	65	120.3 Å²	120.3	67%	0.67	71%	0.711	S	S	*	*	S	Bend	trans	-83.9	6	-176.2	0	0	0	0	0	117.1
225	I	37.7	Very low	43.6	Very low	146 Å²	146	121.3 Å²	121.3	75%	0.749	72%	0.721	S	S	*	*	S	Bend	trans	-141.8	94.2	-176.3	-54.2	176	0	0	0	108.8	Q223	Q223-I225 PolarHBondContact O-N 3.45Å
226	L	38.3	Very low	42.3	Very low	185 Å²	185	120.6 Å²	120.6	97%	0.969	73%	0.727	S	S	*	*			trans	168.2	119.2	151.6	-91	152.9	0	0	0	110.9
227	G	32.7	Very low	40.8	Very low	82 Å²	82	123.6 Å²	123.6	85%	0.845	75%	0.745	S	S	*	*			trans	109.3	94.5	152	0	0	0	0	0	116.7
228	G	27.9	Very low	39.4	Very low	87 Å²	87	122.7 Å²	122.7	90%	0.897	75%	0.751	S	S	*	*			trans	-84.1	160.9	162.9	0	0	0	0	0	113.1
229	G	30.4	Very low	38.4	Very low	81 Å²	81	126.2 Å²	126.2	84%	0.835	77%	0.77	S	S	*	*			trans	159.1	115.5	170.2	0	0	0	0	0	111.1
230	G	29.4	Very low	37.9	Very low	90 Å²	90	124.2 Å²	124.2	93%	0.928	78%	0.775	S	S	*	*			trans	-74	156.1	-170.3	0	0	0	0	0	116.3
231	G	31.7	Very low	37.1	Very low	79 Å²	79	123.2 Å²	123.2	81%	0.814	78%	0.783	S	S	*	*			trans	-175.4	126.4	170	0	0	0	0	0	110.5
232	D	33.9	Very low	36.9	Very low	153 Å²	153	124 Å²	124	82%	0.818	78%	0.781	S	S	*	*			trans	12.4	133.2	176.1	-77.2	-34.2	0	0	0	123.4	E234	D232-E234 PolarHBondContact O-N 2.86Å
233	P	36.9	Very low	37	Very low	103 Å²	103	123.1 Å²	123.1	67%	0.669	78%	0.783	S	S	*	*	S	Bend	trans	-96.6	73.3	170.3	38.1	-29.6	0	0	0	112.2	M236	P233-M236 HydrophobicContact CB-CE 4.47Å
234	E	40.1	Very low	37.4	Very low	190 Å²	190	122.6 Å²	122.6	89%	0.888	78%	0.784	S	S	*	*	S	Bend	trans	-132.6	4.4	166.4	-72.9	-164.5	165.2	0	0	114.9	D232	D232-E234 PolarHBondContact O-N 2.86Å
235	D	37.8	Very low	38.2	Very low	161 Å²	161	126.4 Å²	126.4	86%	0.861	79%	0.785	S	S	*	*			trans	-116.3	15.8	-179	-86.7	-31.7	0	0	0	114.7	D237	D235-D237 PolarHBondContact O-N 2.89Å
236	M	31.6	Very low	39.1	Very low	162 Å²	162	120.3 Å²	120.3	80%	0.798	76%	0.756	S	S	*	*			trans	-93.8	75.4	-179.3	-73.2	-161.9	-85.2	0	0	112.9	P233	P233-M236 HydrophobicContact CB-CE 4.47Å
237	D	33.3	Very low	40.4	Very low	172 Å²	172	119.5 Å²	119.5	92%	0.92	74%	0.74	S	S	*	*			trans	-145.6	36.2	159.1	-109.3	-17.1	0	0	0	112.7	D235	D235-D237 PolarHBondContact O-N 2.89Å
238	A	35.3	Very low	42.6	Very low	77 Å²	77	119.9 Å²	119.9	64%	0.636	72%	0.72	S	S	*	*	S	Bend	trans	-128.8	131.5	163.3	0	0	0	0	0	108.4
239	D	35.9	Very low	45.4	Very low	154 Å²	154	118.7 Å²	118.7	82%	0.824	70%	0.696	S	S	*	*			trans	92.6	52	170.2	-49.3	-26.3	0	0	0	117.7
240	V	39.1	Very low	48.3	Very low	118 Å²	118	114.8 Å²	114.8	72%	0.715	66%	0.656	S	S	*	*			trans	-68.8	124.2	144.1	-176.3	0	0	0	0	107.3	L242	V240-L242 VanDerWaalsContact C-N 3.29Å; V240-L242 PolarHBondContact O-N 3.15Å
241	P	38.9	Very low	51.3	Low	118 Å²	118	111 Å²	111	77%	0.766	62%	0.616	S	S	*	*			trans	-67.8	89.6	176.1	-2.6	15.5	0	0	0	109.2	N243	P241-N243 PolarHBondContact O-N 3.03Å
242	L	47.2	Very low	54.1	Low	97 Å²	97	114.4 Å²	114.4	51%	0.508	60%	0.604	S	S	.	*			trans	-64.5	119.9	168.2	-91.2	127	0	0	0	108.5	V240 A246	V240-L242 VanDerWaalsContact C-N 3.29Å; V240-L242 PolarHBondContact O-N 3.15Å; L242-A246 HydrophobicContact CB-CB 4.17Å; L242-A246 HydrophobicContact CD2-CB 3.28Å; L242-A246 HydrophobicContact CG-CB 4.33Å
243	N	53.9	Low	56.9	Low	128 Å²	128	111.7 Å²	111.7	68%	0.684	59%	0.585	S	S	*	*			trans	-39.5	142.8	169.8	-93.4	-10.2	0	0	0	111	P241 E245 A246	P241-N243 PolarHBondContact O-N 3.03Å; N243-E245 PolarHBondContact O-N 3.2Å; N243-A246 WeakPolarHBondContact O-CA 3.43Å; N243-A246 WeakPolarHBondContact O-CB 3.35Å; N243-A246 PolarHBondContact O-N 2.81Å
244	D	55.8	Low	59.4	Low	126 Å²	126	108.7 Å²	108.7	67%	0.674	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-54.4	-26.5	-177.7	-85.1	-31.5	0	0	0	113.4	A246 R247	D244-A246 VanDerWaalsContact C-N 3.33Å; D244-A246 PolarHBondContact O-N 2.75Å; D244-R247 PolarHBondContact O-N 2.78Å; D244-R247 IonicContact OD1-NH1 3.21Å; D244-R247 PolarHBondContact OD1-NH1 3.38Å
245	E	53.5	Low	61.7	Low	145 Å²	145	104 Å²	104	68%	0.678	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-65	-32.6	173.3	-63.8	-170.8	155.2	0	0	113.5	N243 R247 Q248	N243-E245 PolarHBondContact O-N 3.2Å; E245-R247 PolarHBondContact O-N 2.86Å; E245-Q248 PolarHBondContact O-N 3.39Å
246	A	56.8	Low	64.2	Low	18 Å²	18	97.2 Å²	97.2	15%	0.149	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-78	-4.8	177.9	0	0	0	0	0	113.4	L242 N243 D244 R331	L242-A246 HydrophobicContact CB-CB 4.17Å; L242-A246 HydrophobicContact CD2-CB 3.28Å; L242-A246 HydrophobicContact CG-CB 4.33Å; N243-A246 WeakPolarHBondContact O-CA 3.43Å; N243-A246 WeakPolarHBondContact O-CB 3.35Å; N243-A246 PolarHBondContact O-N 2.81Å; D244-A246 VanDerWaalsContact C-N 3.33Å; D244-A246 PolarHBondContact O-N 2.75Å; A246-R331 PolarHBondContact O-NE 3.2Å; A246-R331 PolarHBondContact O-NH1 3.39Å; A246-R331 PolarHBondContact O-NH2 3.47Å
247	R	65.4	Low	67.1	Low	169 Å²	169	91.9 Å²	91.9	64%	0.638	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-88.9	-9.3	172.5	-68.5	177.6	171.3	169.2	-6.5	113.8	D244 E245	D244-R247 PolarHBondContact O-N 2.78Å; D244-R247 IonicContact OD1-NH1 3.21Å; D244-R247 PolarHBondContact OD1-NH1 3.38Å; E245-R247 PolarHBondContact O-N 2.86Å
248	Q	80.8	Confident	69.8	Low	89 Å²	89	87.2 Å²	87.2	42%	0.416	48%	0.479	S	S	.	.	S	Bend	trans	-64.8	143.9	179.7	-65.1	-172.9	2.2	0	0	111.4	E245 R327 R331	E245-Q248 PolarHBondContact O-N 3.39Å; Q248-R327 VanDerWaalsContact OE1-NE 3.14Å; Q248-R331 PolarHBondContact O-NH2 2.87Å
249	P	86.5	Confident	72.5	Confident	62 Å²	62	88 Å²	88	40%	0.403	48%	0.479	S	S	.	.			trans	-70.1	135.6	176.9	28.8	-34.1	0	0	0	110.8	S251 R327	P249-S251 VanDerWaalsContact C-N 3.3Å; P249-R327 PolarHBondContact O-NH1 2.75Å
250	L	90.8	Very high	75.1	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	46%	0.457	C	S	.	.	S	Bend	trans	-78.2	-21	176.8	-62.8	176.9	0	0	0	112	Y324 R327 L328 Y332 C567 D571	L250-Y324 PolarHBondContact O-N 2.69Å; L250-R327 HydrophobicContact CD2-CB 3.92Å; L250-L328 HydrophobicContact CD1-CD1 4.04Å; L250-Y332 HydrophobicContact CD1-CE2 3.9Å; L250-C567 HydrophobicContact CB-CB 4.28Å; L250-C567 WeakPolarHBondContact CB-O 3.41Å; L250-D571 HydrophobicContact CD1-CB 4.47Å
251	S	92.1	Very high	77.6	Confident	11 Å²	11	79.2 Å²	79.2	8%	0.077	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.3	174.9	65.5	0	0	0	0	111.1	P249 E322 F568	P249-S251 VanDerWaalsContact C-N 3.3Å; S251-E322 CarbonylContact C-O 3.25Å; S251-E322 VanDerWaalsContact CA-O 3.26Å; S251-E322 WeakPolarHBondContact CA-O 3.29Å; S251-E322 WeakPolarHBondContact CB-O 3.22Å; S251-F568 WeakPolarHBondContact OG-CD1 3.35Å
252	R	91.4	Very high	80.2	Confident	150 Å²	150	76.8 Å²	76.8	57%	0.566	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.2	176.3	179.2	179.7	178.9	-171.7	1.7	110.1	V254 R321 E322 Y324	R252-V254 HydrophobicContact CG-CG2 4.47Å; R252-R321 WeakPolarHBondContact O-CA 3.31Å; R252-E322 PolarHBondContact N-O 3.15Å; R252-E322 PolarHBondContact O-N 2.82Å; R252-Y324 HydrophobicContact CB-CE2 3.83Å
253	K	91.7	Very high	82.5	Confident	96 Å²	96	74.5 Å²	74.5	42%	0.417	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.3	165.2	-65.8	178.7	-178.6	173.3	0	109.1	I319	K253-I319 HydrophobicContact CD-CD1 4.38Å
254	V	90.2	Very high	84.4	Confident	40 Å²	40	68.4 Å²	68.4	24%	0.242	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.3	176.5	-177.9	0	0	0	0	107.1	R252 D320 E322	R252-V254 HydrophobicContact CG-CG2 4.47Å; V254-D320 HydrophobicContact CB-CB 4.24Å; V254-D320 PolarHBondContact N-O 3.35Å; V254-D320 PolarHBondContact O-N 2.85Å; V254-D320 VanDerWaalsContact O-O 3.13Å; V254-E322 HydrophobicContact CG2-CG 3.85Å
255	S	88	Confident	86.3	Confident	91 Å²	91	65.4 Å²	65.4	64%	0.636	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.2	171.3	55	0	0	0	0	109	A257	S255-A257 PolarHBondContact O-N 3.36Å
256	I	90.1	Very high	88.3	Confident	18 Å²	18	64.8 Å²	64.8	9%	0.092	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-59	139.7	170.8	-63.3	160.9	0	0	0	108.7	S258 K260 V261 P318 W883	I256-S258 PolarHBondContact O-N 3Å; I256-K260 HydrophobicContact CG2-CB 4.46Å; I256-V261 HydrophobicContact CB-CG2 3.59Å; I256-V261 HydrophobicContact CG2-CG2 3.44Å; I256-V261 VanDerWaalsContact CG2-CG2 3.44Å; I256-P318 HydrophobicContact CD1-CB 3.51Å; I256-P318 HydrophobicContact CD1-CG 3.68Å; I256-W883 HydrophobicContact CD1-CD2 4.41Å; I256-W883 HydrophobicContact CD1-CE3 3.5Å; I256-W883 VanDerWaalsContact CD1-CE3 3.5Å; I256-W883 HydrophobicContact CD1-CZ3 3.76Å; I256-W883 HydrophobicContact CG2-CB 4.21Å
257	A	91.5	Very high	90.1	Very high	51 Å²	51	65.4 Å²	65.4	42%	0.421	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-48.2	127.2	-176.4	0	0	0	0	0	111.8	S255 S259 K260 V261	S255-A257 PolarHBondContact O-N 3.36Å; A257-S259 PolarHBondContact O-N 3.44Å; A257-S259 VanDerWaalsContact O-N 3.08Å; A257-K260 PolarHBondContact O-N 3.42Å; A257-V261 PolarHBondContact O-N 2.86Å
258	S	89.9	Confident	91.5	Very high	74 Å²	74	57.4 Å²	57.4	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-27.6	-176.4	-53.3	0	0	0	0	112.8	I256 K260 N262	I256-S258 PolarHBondContact O-N 3Å; S258-K260 PolarHBondContact O-N 3.01Å; S258-N262 WeakPolarHBondContact O-CB 3.45Å; S258-N262 PolarHBondContact O-N 3.27Å
259	S	92.1	Very high	92.2	Very high	92 Å²	92	56.6 Å²	56.6	64%	0.643	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-23.7	174.2	57.5	0	0	0	0	114	A257 P263	A257-S259 PolarHBondContact O-N 3.44Å; A257-S259 VanDerWaalsContact O-N 3.08Å; S259-P263 WeakPolarHBondContact O-CD 3.18Å; S259-P263 VanDerWaalsContact O-CG 3.26Å; S259-P263 WeakPolarHBondContact O-CG 3.16Å
260	K	91.7	Very high	92.6	Very high	83 Å²	83	57.7 Å²	57.7	36%	0.361	32%	0.32	S	S	.	.	H	α-helix	trans	-94.5	-42.8	175.7	-59.5	-172.6	-179.1	-173.8	0	111.9	I256 A257 S258 W883	I256-K260 HydrophobicContact CG2-CB 4.46Å; A257-K260 PolarHBondContact O-N 3.42Å; S258-K260 PolarHBondContact O-N 3.01Å; K260-W883 HydrophobicContact CB-CB 4.02Å; K260-W883 HydrophobicContact CD-CB 4.4Å
261	V	91.7	Very high	92.9	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-78.9	-39.6	-173.5	-176.7	0	0	0	0	112.9	I256 A257 Y264 R265 P318	I256-V261 HydrophobicContact CB-CG2 3.59Å; I256-V261 HydrophobicContact CG2-CG2 3.44Å; I256-V261 VanDerWaalsContact CG2-CG2 3.44Å; A257-V261 PolarHBondContact O-N 2.86Å; V261-Y264 WeakPolarHBondContact O-CB 3.26Å; V261-Y264 PolarHBondContact O-N 3.05Å; V261-R265 HydrophobicContact CG1-CG 4.22Å; V261-R265 VanDerWaalsContact CG1-CZ 3.48Å; V261-R265 WeakPolarHBondContact O-CG 3.46Å; V261-R265 PolarHBondContact O-N 3.32Å; V261-P318 HydrophobicContact CG2-CG 4.48Å
262	N	93.8	Very high	93	Very high	68 Å²	68	61.7 Å²	61.7	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-43.6	-177.1	-69.5	-14.3	0	0	0	112.6	S258 Y264 R265 M266	S258-N262 WeakPolarHBondContact O-CB 3.45Å; S258-N262 PolarHBondContact O-N 3.27Å; N262-Y264 VanDerWaalsContact C-N 3.33Å; N262-Y264 PolarHBondContact O-N 3.2Å; N262-R265 PolarHBondContact O-N 3.43Å; N262-M266 WeakPolarHBondContact O-CG 3.4Å; N262-M266 PolarHBondContact O-N 3.35Å
263	P	95.2	Very high	93.2	Very high	48 Å²	48	58 Å²	58	31%	0.312	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-43	172.6	-25.9	36.1	0	0	0	112.7	S259 R265 M266 V267 L879	S259-P263 WeakPolarHBondContact O-CD 3.18Å; S259-P263 VanDerWaalsContact O-CG 3.26Å; S259-P263 WeakPolarHBondContact O-CG 3.16Å; P263-R265 PolarHBondContact O-N 2.46Å; P263-M266 PolarHBondContact O-N 3.08Å; P263-V267 WeakPolarHBondContact O-CB 3.26Å; P263-V267 WeakPolarHBondContact O-CG2 3.37Å; P263-V267 PolarHBondContact O-N 2.79Å; P263-L879 HydrophobicContact CB-CD1 4.25Å; P263-L879 HydrophobicContact CB-CD2 4.33Å
264	Y	94.4	Very high	93.4	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-57.6	-48.7	176.3	173.1	-115.7	0	0	0	111.5	V261 N262 M266 V267 I268 Q312 T876 L879 E880 W883	V261-Y264 WeakPolarHBondContact O-CB 3.26Å; V261-Y264 PolarHBondContact O-N 3.05Å; N262-Y264 VanDerWaalsContact C-N 3.33Å; N262-Y264 PolarHBondContact O-N 3.2Å; Y264-M266 PolarHBondContact O-N 3.35Å; Y264-V267 PolarHBondContact O-N 3.34Å; Y264-I268 HydrophobicContact CD1-CD1 3.72Å; Y264-I268 HydrophobicContact CD2-CD1 3.95Å; Y264-I268 HydrophobicContact CD2-CG1 4.3Å; Y264-I268 HydrophobicContact CE1-CD1 3.34Å; Y264-I268 HydrophobicContact CE2-CD1 3.59Å; Y264-I268 HydrophobicContact CE2-CG1 4.04Å; Y264-I268 HydrophobicContact CG-CD1 4.02Å; Y264-I268 VanDerWaalsContact O-CG1 3.31Å; Y264-I268 WeakPolarHBondContact O-CG1 3.44Å; Y264-I268 PolarHBondContact O-N 3.34Å; Y264-Q312 PolarHBondContact OH-OE1 2.78Å; Y264-T876 HydrophobicContact CD2-CG2 4.41Å; Y264-T876 HydrophobicContact CE2-CG2 3.88Å; Y264-L879 HydrophobicContact CD2-CB 4.15Å; Y264-E880 HydrophobicContact CD2-CB 4.36Å; Y264-E880 HydrophobicContact CE2-CB 3.78Å; Y264-E880 HydrophobicContact CE2-CG 4.1Å; Y264-E880 PolarHBondContact OH-OE1 2.94Å; Y264-W883 AromaticContact CD1-NE1 3.77Å; Y264-W883 AromaticContact CE1-NE1 3.71Å; Y264-W883 AromaticContact CZ-NE1 3.94Å
265	R	94.7	Very high	93.6	Very high	63 Å²	63	53.6 Å²	53.6	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-45	176.3	-71.8	174.8	177	155.9	1.8	112.7	V261 N262 P263 V267 I268 V269 W316	V261-R265 HydrophobicContact CG1-CG 4.22Å; V261-R265 VanDerWaalsContact CG1-CZ 3.48Å; V261-R265 WeakPolarHBondContact O-CG 3.46Å; V261-R265 PolarHBondContact O-N 3.32Å; N262-R265 PolarHBondContact O-N 3.43Å; P263-R265 PolarHBondContact O-N 2.46Å; R265-V267 VanDerWaalsContact C-N 3.35Å; R265-V267 PolarHBondContact O-N 3.48Å; R265-I268 PolarHBondContact O-N 3.38Å; R265-V269 WeakPolarHBondContact O-CG2 3.41Å; R265-V269 PolarHBondContact O-N 3.49Å; R265-V269 VanDerWaalsContact O-N 3.15Å; R265-W316 HydrophobicContact CB-CH2 4.46Å; R265-W316 HydrophobicContact CB-CZ2 4.37Å; R265-W316 HydrophobicContact CG-CD2 4.47Å; R265-W316 HydrophobicContact CG-CZ2 4.32Å; R265-W316 PolarHBondContact NE-O 3.39Å; R265-W316 PolarHBondContact NH2-O 3.02Å
266	M	95.1	Very high	93.8	Very high	131 Å²	131	52 Å²	52	65%	0.645	30%	0.304	S	S	*	.	H	α-helix	trans	-60.5	-45.7	177.6	-71.4	175.3	179.2	0	0	111.1	N262 P263 Y264 V269 V270	N262-M266 WeakPolarHBondContact O-CG 3.4Å; N262-M266 PolarHBondContact O-N 3.35Å; P263-M266 PolarHBondContact O-N 3.08Å; Y264-M266 PolarHBondContact O-N 3.35Å; M266-V269 PolarHBondContact O-N 2.95Å; M266-V270 WeakPolarHBondContact O-CG2 3.37Å; M266-V270 PolarHBondContact O-N 3.29Å
267	V	95.5	Very high	94	Very high	32 Å²	32	56.2 Å²	56.2	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-37.2	-179.8	172.4	0	0	0	0	112	P263 Y264 R265 V269 V270 R271 A875 L879	P263-V267 WeakPolarHBondContact O-CB 3.26Å; P263-V267 WeakPolarHBondContact O-CG2 3.37Å; P263-V267 PolarHBondContact O-N 2.79Å; Y264-V267 PolarHBondContact O-N 3.34Å; R265-V267 VanDerWaalsContact C-N 3.35Å; R265-V267 PolarHBondContact O-N 3.48Å; V267-V269 VanDerWaalsContact C-N 3.35Å; V267-V269 PolarHBondContact O-N 3.32Å; V267-V270 PolarHBondContact O-N 3.48Å; V267-R271 WeakPolarHBondContact O-CB 3.11Å; V267-R271 PolarHBondContact O-N 3.39Å; V267-A875 HydrophobicContact CG1-CB 4Å; V267-L879 HydrophobicContact CB-CD1 4.04Å; V267-L879 HydrophobicContact CG1-CD1 4.47Å; V267-L879 HydrophobicContact CG2-CD1 3.64Å
268	I	94.5	Very high	94	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-44.6	173.2	-69	161.9	0	0	0	111.1	Y264 R265 R271 L272 W308 W316 T876	Y264-I268 HydrophobicContact CD1-CD1 3.72Å; Y264-I268 HydrophobicContact CD2-CD1 3.95Å; Y264-I268 HydrophobicContact CD2-CG1 4.3Å; Y264-I268 HydrophobicContact CE1-CD1 3.34Å; Y264-I268 HydrophobicContact CE2-CD1 3.59Å; Y264-I268 HydrophobicContact CE2-CG1 4.04Å; Y264-I268 HydrophobicContact CG-CD1 4.02Å; Y264-I268 VanDerWaalsContact O-CG1 3.31Å; Y264-I268 WeakPolarHBondContact O-CG1 3.44Å; Y264-I268 PolarHBondContact O-N 3.34Å; R265-I268 PolarHBondContact O-N 3.38Å; I268-R271 PolarHBondContact O-N 2.78Å; I268-L272 PolarHBondContact O-N 3.07Å; I268-W308 HydrophobicContact CG2-CH2 4.32Å; I268-W308 HydrophobicContact CG2-CZ2 4.47Å; I268-W316 HydrophobicContact CG2-CZ3 4.19Å; I268-T876 HydrophobicContact CG1-CG2 4.1Å
269	V	95.7	Very high	94.1	Very high	71 Å²	71	52.3 Å²	52.3	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-43.9	177.9	175.3	0	0	0	0	110.9	R265 M266 V267 R271 L272 V273 W316	R265-V269 WeakPolarHBondContact O-CG2 3.41Å; R265-V269 PolarHBondContact O-N 3.49Å; R265-V269 VanDerWaalsContact O-N 3.15Å; M266-V269 PolarHBondContact O-N 2.95Å; V267-V269 VanDerWaalsContact C-N 3.35Å; V267-V269 PolarHBondContact O-N 3.32Å; V269-R271 VanDerWaalsContact C-N 3.32Å; V269-R271 PolarHBondContact O-N 3.03Å; V269-L272 WeakPolarHBondContact O-CB 3.42Å; V269-L272 PolarHBondContact O-N 3.49Å; V269-V273 WeakPolarHBondContact O-CG2 3.26Å; V269-V273 PolarHBondContact O-N 3.4Å; V269-W316 HydrophobicContact CG2-CH2 3.68Å; V269-W316 HydrophobicContact CG2-CZ3 4.3Å
270	V	95.5	Very high	94.2	Very high	85 Å²	85	55.7 Å²	55.7	52%	0.515	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-45.2	174.6	170.8	0	0	0	0	110.6	M266 V267 L272 V273 V274	M266-V270 WeakPolarHBondContact O-CG2 3.37Å; M266-V270 PolarHBondContact O-N 3.29Å; V267-V270 PolarHBondContact O-N 3.48Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 3.18Å; V270-V273 PolarHBondContact O-N 3.35Å; V270-V274 HydrophobicContact CG1-CG2 4.25Å; V270-V274 WeakPolarHBondContact O-CG2 3.29Å; V270-V274 PolarHBondContact O-N 3.04Å
271	R	95.7	Very high	94.1	Very high	35 Å²	35	53.2 Å²	53.2	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-41.4	177.1	179.5	168.1	170.4	-174.4	-0.5	112	V267 I268 V269 V273 V274 L275 W308 S872 T876	V267-R271 WeakPolarHBondContact O-CB 3.11Å; V267-R271 PolarHBondContact O-N 3.39Å; I268-R271 PolarHBondContact O-N 2.78Å; V269-R271 VanDerWaalsContact C-N 3.32Å; V269-R271 PolarHBondContact O-N 3.03Å; R271-V273 VanDerWaalsContact C-N 3.34Å; R271-V273 PolarHBondContact O-N 3.01Å; R271-V274 PolarHBondContact O-N 2.99Å; R271-L275 WeakPolarHBondContact O-CB 3.22Å; R271-L275 PolarHBondContact O-N 3.45Å; R271-W308 HydrophobicContact CB-CH2 4.16Å; R271-W308 HydrophobicContact CB-CZ2 4.32Å; R271-W308 VanDerWaalsContact CD-CZ2 3.43Å; R271-W308 HydrophobicContact CG-CH2 3.76Å; R271-W308 HydrophobicContact CG-CZ2 3.75Å; R271-W308 VanDerWaalsContact CZ-CE2 3.45Å; R271-W308 VanDerWaalsContact NH2-NE1 3.12Å; R271-S872 WeakPolarHBondContact CG-OG 3.3Å; R271-T876 WeakPolarHBondContact CD-OG1 3.29Å
272	L	95.5	Very high	94.1	Very high	60 Å²	60	53.2 Å²	53.2	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-43.4	175.3	-177	68.2	0	0	0	111.6	I268 V269 V270 L275 A276 W308 I309 F313	I268-L272 PolarHBondContact O-N 3.07Å; V269-L272 WeakPolarHBondContact O-CB 3.42Å; V269-L272 PolarHBondContact O-N 3.49Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 3.18Å; L272-L275 PolarHBondContact O-N 3.28Å; L272-A276 PolarHBondContact O-N 3.12Å; L272-W308 HydrophobicContact CB-CH2 4.46Å; L272-W308 HydrophobicContact CB-CZ3 4.43Å; L272-W308 HydrophobicContact CD1-CZ3 4.07Å; L272-I309 HydrophobicContact CD1-CD1 3.85Å; L272-I309 HydrophobicContact CD1-CG1 3.98Å; L272-F313 HydrophobicContact CD2-CZ 4.26Å
273	V	95.6	Very high	94	Very high	72 Å²	72	54.2 Å²	54.2	44%	0.436	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-47	177.3	173.1	0	0	0	0	111.2	V269 V270 R271 L275 A276 F277	V269-V273 WeakPolarHBondContact O-CG2 3.26Å; V269-V273 PolarHBondContact O-N 3.4Å; V270-V273 PolarHBondContact O-N 3.35Å; R271-V273 VanDerWaalsContact C-N 3.34Å; R271-V273 PolarHBondContact O-N 3.01Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 2.98Å; V273-A276 PolarHBondContact O-N 3.22Å; V273-F277 HydrophobicContact CG1-CD2 3.78Å; V273-F277 HydrophobicContact CG1-CE2 3.45Å; V273-F277 VanDerWaalsContact CG1-CE2 3.45Å; V273-F277 WeakPolarHBondContact O-CD2 3.48Å; V273-F277 PolarHBondContact O-N 3.39Å
274	V	94.7	Very high	93.8	Very high	22 Å²	22	56.9 Å²	56.9	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-42.9	177.1	171.6	0	0	0	0	111	V270 R271 A276 F277 F278 A868 L869	V270-V274 HydrophobicContact CG1-CG2 4.25Å; V270-V274 WeakPolarHBondContact O-CG2 3.29Å; V270-V274 PolarHBondContact O-N 3.04Å; R271-V274 PolarHBondContact O-N 2.99Å; V274-A276 VanDerWaalsContact C-N 3.34Å; V274-A276 PolarHBondContact O-N 3.19Å; V274-F277 PolarHBondContact O-N 3.22Å; V274-F278 WeakPolarHBondContact O-CB 3.26Å; V274-F278 PolarHBondContact O-N 3.13Å; V274-A868 HydrophobicContact CG1-CB 3.85Å; V274-A868 HydrophobicContact CG2-CB 4.29Å; V274-L869 HydrophobicContact CG1-CB 4.03Å; V274-L869 HydrophobicContact CG1-CD1 4.41Å
275	L	94.1	Very high	93.5	Very high	22 Å²	22	60.7 Å²	60.7	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-40.8	176.4	-176.8	64.1	0	0	0	111.8	R271 L272 V273 F278 L279 A305 W308 L869	R271-L275 WeakPolarHBondContact O-CB 3.22Å; R271-L275 PolarHBondContact O-N 3.45Å; L272-L275 PolarHBondContact O-N 3.28Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 2.98Å; L275-F278 HydrophobicContact CD1-CD1 4.47Å; L275-F278 WeakPolarHBondContact O-CB 3.3Å; L275-F278 PolarHBondContact O-N 3.49Å; L275-L279 HydrophobicContact CD1-CD1 4.4Å; L275-L279 HydrophobicContact CD1-CG 4.35Å; L275-L279 HydrophobicContact CG-CD1 4.22Å; L275-L279 WeakPolarHBondContact O-CB 3.23Å; L275-L279 WeakPolarHBondContact O-CG 3.46Å; L275-L279 PolarHBondContact O-N 2.85Å; L275-A305 HydrophobicContact CD1-CB 4.33Å; L275-A305 HydrophobicContact CD2-CB 3.77Å; L275-A305 HydrophobicContact CG-CB 4.27Å; L275-W308 HydrophobicContact CD2-CE3 3.75Å; L275-W308 HydrophobicContact CD2-CZ3 3.94Å; L275-L869 HydrophobicContact CB-CD1 4.47Å; L275-L869 HydrophobicContact CD1-CD1 4.16Å
276	A	93.9	Very high	93.3	Very high	59 Å²	59	60.9 Å²	60.9	49%	0.488	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176	0	0	0	0	0	112.1	L272 V273 V274 R280	L272-A276 PolarHBondContact O-N 3.12Å; V273-A276 PolarHBondContact O-N 3.22Å; V274-A276 VanDerWaalsContact C-N 3.34Å; V274-A276 PolarHBondContact O-N 3.19Å; A276-R280 VanDerWaalsContact O-CB 3.3Å; A276-R280 WeakPolarHBondContact O-CB 3.42Å; A276-R280 PolarHBondContact O-N 3.12Å
277	F	93	Very high	92.9	Very high	106 Å²	106	55.1 Å²	55.1	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-41.6	174.5	-75.6	-62.4	0	0	0	112.3	V273 V274 R280 Y281 F865	V273-F277 HydrophobicContact CG1-CD2 3.78Å; V273-F277 HydrophobicContact CG1-CE2 3.45Å; V273-F277 VanDerWaalsContact CG1-CE2 3.45Å; V273-F277 WeakPolarHBondContact O-CD2 3.48Å; V273-F277 PolarHBondContact O-N 3.39Å; V274-F277 PolarHBondContact O-N 3.22Å; F277-R280 PolarHBondContact O-N 2.72Å; F277-Y281 WeakPolarHBondContact O-CB 3.38Å; F277-Y281 PolarHBondContact O-N 2.7Å; F277-F865 HydrophobicContact CB-CD1 4.1Å; F277-F865 HydrophobicContact CB-CE1 4.02Å; F277-F865 HydrophobicContact CG-CE1 4.44Å
278	F	92.2	Very high	92.3	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-52.6	176	172.2	-92.6	0	0	0	111.7	V274 L275 R280 Y281 R282 F866 L869	V274-F278 WeakPolarHBondContact O-CB 3.26Å; V274-F278 PolarHBondContact O-N 3.13Å; L275-F278 HydrophobicContact CD1-CD1 4.47Å; L275-F278 WeakPolarHBondContact O-CB 3.3Å; L275-F278 PolarHBondContact O-N 3.49Å; F278-R280 PolarHBondContact O-N 3.09Å; F278-Y281 WeakPolarHBondContact O-CB 3.44Å; F278-Y281 PolarHBondContact O-N 3.13Å; F278-R282 HydrophobicContact CD1-CG 4.21Å; F278-R282 HydrophobicContact CE1-CG 3.78Å; F278-R282 HydrophobicContact CE2-CG 4.12Å; F278-R282 HydrophobicContact CZ-CG 3.73Å; F278-R282 VanDerWaalsContact O-CG 3.31Å; F278-R282 WeakPolarHBondContact O-CG 3.5Å; F278-R282 PolarHBondContact O-N 3.04Å; F278-F866 HydrophobicContact CD2-CD1 4.48Å; F278-F866 HydrophobicContact CD2-CE1 4.42Å; F278-F866 HydrophobicContact CD2-CZ 4.42Å; F278-F866 AromaticContact CE2-CD1 3.68Å; F278-F866 HydrophobicContact CE2-CD1 3.68Å; F278-F866 HydrophobicContact CE2-CD2 4.45Å; F278-F866 AromaticContact CE2-CE1 3.41Å; F278-F866 HydrophobicContact CE2-CE1 3.41Å; F278-F866 VanDerWaalsContact CE2-CE1 3.41Å; F278-F866 HydrophobicContact CE2-CE2 4.2Å; F278-F866 HydrophobicContact CE2-CG 4.2Å; F278-F866 AromaticContact CE2-CZ 3.66Å; F278-F866 HydrophobicContact CE2-CZ 3.66Å; F278-F866 HydrophobicContact CZ-CE1 4.09Å; F278-F866 HydrophobicContact CZ-CZ 4.44Å; F278-L869 HydrophobicContact CD1-CD2 4.1Å; F278-L869 HydrophobicContact CD2-CD2 3.93Å; F278-L869 HydrophobicContact CE1-CD2 4.28Å; F278-L869 HydrophobicContact CE2-CD2 4.08Å; F278-L869 HydrophobicContact CG-CD2 3.94Å; F278-L869 HydrophobicContact CZ-CD2 4.26Å
279	L	92.6	Very high	91.8	Very high	28 Å²	28	65 Å²	65	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-41.2	179.8	-70.9	174.5	0	0	0	111.6	L275 Y281 R282 I283 I298 E301 I302 A305	L275-L279 HydrophobicContact CD1-CD1 4.4Å; L275-L279 HydrophobicContact CD1-CG 4.35Å; L275-L279 HydrophobicContact CG-CD1 4.22Å; L275-L279 WeakPolarHBondContact O-CB 3.23Å; L275-L279 WeakPolarHBondContact O-CG 3.46Å; L275-L279 PolarHBondContact O-N 2.85Å; L279-Y281 VanDerWaalsContact C-N 3.34Å; L279-Y281 PolarHBondContact O-N 2.52Å; L279-R282 PolarHBondContact O-N 2.77Å; L279-I283 WeakPolarHBondContact O-CB 3.33Å; L279-I283 VanDerWaalsContact O-CG1 3.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.87Å; L279-I298 HydrophobicContact CD2-CD1 4.3Å; L279-E301 HydrophobicContact CD2-CB 4.23Å; L279-I302 HydrophobicContact CD2-CG1 4.21Å; L279-A305 HydrophobicContact CD1-CB 3.75Å
280	R	93.3	Very high	91.4	Very high	162 Å²	162	61.9 Å²	61.9	61%	0.611	33%	0.328	S	S	*	.	H	α-helix	trans	-59	-46.5	173.8	179.4	177	178.4	-98.1	-0.5	111.3	A276 F277 F278 I283 L284	A276-R280 VanDerWaalsContact O-CB 3.3Å; A276-R280 WeakPolarHBondContact O-CB 3.42Å; A276-R280 PolarHBondContact O-N 3.12Å; F277-R280 PolarHBondContact O-N 2.72Å; F278-R280 PolarHBondContact O-N 3.09Å; R280-I283 PolarHBondContact O-N 3.24Å; R280-L284 HydrophobicContact CG-CD1 3.85Å; R280-L284 HydrophobicContact CG-CG 4.49Å; R280-L284 WeakPolarHBondContact O-CB 3.41Å; R280-L284 VanDerWaalsContact O-CG 3.25Å; R280-L284 WeakPolarHBondContact O-CG 3.47Å; R280-L284 PolarHBondContact O-N 2.88Å; R280-L284 VanDerWaalsContact O-N 3.1Å
281	Y	90.7	Very high	91.1	Very high	31 Å²	31	63.2 Å²	63.2	12%	0.122	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-47.9	177	173.7	-95.3	0	0	0	111.2	F277 F278 L279 I283 L284 H285 A862 F866	F277-Y281 WeakPolarHBondContact O-CB 3.38Å; F277-Y281 PolarHBondContact O-N 2.7Å; F278-Y281 WeakPolarHBondContact O-CB 3.44Å; F278-Y281 PolarHBondContact O-N 3.13Å; L279-Y281 VanDerWaalsContact C-N 3.34Å; L279-Y281 PolarHBondContact O-N 2.52Å; Y281-I283 PolarHBondContact O-N 3.47Å; Y281-L284 PolarHBondContact O-N 3.06Å; Y281-H285 AromaticContact CD2-CE1 3.47Å; Y281-H285 VanDerWaalsContact CD2-CE1 3.47Å; Y281-H285 WeakPolarHBondContact CD2-CE1 3.48Å; Y281-H285 AromaticContact CD2-ND1 3.45Å; Y281-H285 WeakPolarHBondContact CD2-ND1 3.3Å; Y281-H285 AromaticContact CE2-CE1 3.36Å; Y281-H285 WeakPolarHBondContact CE2-CE1 3.22Å; Y281-H285 AromaticContact CE2-CG 3.9Å; Y281-H285 AromaticContact CE2-ND1 3.4Å; Y281-H285 WeakPolarHBondContact CE2-ND1 3.24Å; Y281-H285 AromaticContact CE2-NE2 3.81Å; Y281-H285 AromaticContact CZ-ND1 3.93Å; Y281-H285 PolarHBondContact O-N 2.93Å; Y281-H285 VanDerWaalsContact O-N 3.16Å; Y281-H285 PolarHBondContact O-ND1 3.24Å; Y281-A862 HydrophobicContact CD2-CB 4.49Å; Y281-A862 HydrophobicContact CE1-CB 4.08Å; Y281-A862 HydrophobicContact CE2-CB 3.63Å; Y281-A862 VanDerWaalsContact OH-CB 3.23Å; Y281-A862 WeakPolarHBondContact OH-CB 3.15Å; Y281-F866 HydrophobicContact CD1-CE2 4.34Å; Y281-F866 HydrophobicContact CE1-CE2 4.11Å
282	R	90.7	Very high	90.9	Very high	6 Å²	6	63.7 Å²	63.7	2%	0.023	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-44.1	-180	-72.3	-76.9	-65.2	112.9	-2	112.5	F278 L279 H285 W294 S297 I298 E301	F278-R282 HydrophobicContact CD1-CG 4.21Å; F278-R282 HydrophobicContact CE1-CG 3.78Å; F278-R282 HydrophobicContact CE2-CG 4.12Å; F278-R282 HydrophobicContact CZ-CG 3.73Å; F278-R282 VanDerWaalsContact O-CG 3.31Å; F278-R282 WeakPolarHBondContact O-CG 3.5Å; F278-R282 PolarHBondContact O-N 3.04Å; L279-R282 PolarHBondContact O-N 2.77Å; R282-H285 PolarHBondContact O-N 3.12Å; R282-W294 VanDerWaalsContact O-CZ2 3.32Å; R282-W294 WeakPolarHBondContact O-CZ2 3.48Å; R282-S297 PolarHBondContact NH2-OG 2.79Å; R282-I298 HydrophobicContact CB-CD1 3.56Å; R282-I298 HydrophobicContact CG-CD1 4.43Å; R282-E301 IonicContact CZ-OE1 3.96Å; R282-E301 IonicContact CZ-OE2 3.74Å; R282-E301 IonicContact NE-OE1 3.56Å; R282-E301 IonicContact NE-OE2 2.96Å; R282-E301 PolarHBondContact NE-OE2 2.87Å; R282-E301 IonicContact NH2-OE1 3.45Å; R282-E301 PolarHBondContact NH2-OE1 3.11Å; R282-E301 IonicContact NH2-OE2 3.69Å
283	I	91.9	Very high	90.6	Very high	89 Å²	89	62.5 Å²	62.5	46%	0.456	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-39.1	178.4	-69	165.7	0	0	0	111.4	L279 R280 Y281 H285 I298 I302	L279-I283 WeakPolarHBondContact O-CB 3.33Å; L279-I283 VanDerWaalsContact O-CG1 3.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.87Å; R280-I283 PolarHBondContact O-N 3.24Å; Y281-I283 PolarHBondContact O-N 3.47Å; I283-H285 VanDerWaalsContact C-N 3.31Å; I283-H285 PolarHBondContact O-N 3.2Å; I283-I298 HydrophobicContact CG1-CD1 4.21Å; I283-I298 HydrophobicContact CG1-CG1 4.03Å; I283-I302 HydrophobicContact CD1-CD1 4.44Å
284	L	91.3	Very high	90.5	Very high	103 Å²	103	60.4 Å²	60.4	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-77.1	-14	-178.5	-67.9	174.2	0	0	0	114	R280 Y281 P286	R280-L284 HydrophobicContact CG-CD1 3.85Å; R280-L284 HydrophobicContact CG-CG 4.49Å; R280-L284 WeakPolarHBondContact O-CB 3.41Å; R280-L284 VanDerWaalsContact O-CG 3.25Å; R280-L284 WeakPolarHBondContact O-CG 3.47Å; R280-L284 PolarHBondContact O-N 2.88Å; R280-L284 VanDerWaalsContact O-N 3.1Å; Y281-L284 PolarHBondContact O-N 3.06Å; L284-P286 VanDerWaalsContact C-CD 3.45Å; L284-P286 WeakPolarHBondContact O-CD 3.5Å
285	H	88.2	Confident	90.4	Very high	82 Å²	82	63.4 Å²	63.4	38%	0.38	34%	0.34	S	S	.	.	S	Bend	trans	-122.1	76	-178.4	-60.5	81.7	0	0	0	111	Y281 R282 I283 W294 P856	Y281-H285 AromaticContact CD2-CE1 3.47Å; Y281-H285 VanDerWaalsContact CD2-CE1 3.47Å; Y281-H285 WeakPolarHBondContact CD2-CE1 3.48Å; Y281-H285 AromaticContact CD2-ND1 3.45Å; Y281-H285 WeakPolarHBondContact CD2-ND1 3.3Å; Y281-H285 AromaticContact CE2-CE1 3.36Å; Y281-H285 WeakPolarHBondContact CE2-CE1 3.22Å; Y281-H285 AromaticContact CE2-CG 3.9Å; Y281-H285 AromaticContact CE2-ND1 3.4Å; Y281-H285 WeakPolarHBondContact CE2-ND1 3.24Å; Y281-H285 AromaticContact CE2-NE2 3.81Å; Y281-H285 AromaticContact CZ-ND1 3.93Å; Y281-H285 PolarHBondContact O-N 2.93Å; Y281-H285 VanDerWaalsContact O-N 3.16Å; Y281-H285 PolarHBondContact O-ND1 3.24Å; R282-H285 PolarHBondContact O-N 3.12Å; I283-H285 VanDerWaalsContact C-N 3.31Å; I283-H285 PolarHBondContact O-N 3.2Å; H285-W294 PolarHBondContact O-NE1 2.98Å; H285-P856 HydrophobicContact CB-CG 4.41Å
286	P	88.8	Confident	90.4	Very high	66 Å²	66	65.2 Å²	65.2	43%	0.429	35%	0.352	S	S	.	.			trans	-67.1	152.6	171.8	29.3	-34.1	0	0	0	111.8	L284 P288 W294	L284-P286 VanDerWaalsContact C-CD 3.45Å; L284-P286 WeakPolarHBondContact O-CD 3.5Å; P286-P288 WeakPolarHBondContact O-CD 3.3Å; P286-W294 HydrophobicContact CB-CD2 4.3Å; P286-W294 HydrophobicContact CB-CE3 4.38Å; P286-W294 HydrophobicContact CB-CH2 4.05Å; P286-W294 HydrophobicContact CB-CZ2 3.92Å; P286-W294 HydrophobicContact CB-CZ3 4.27Å
287	V	87.2	Confident	90.4	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	33%	0.329	C	S	.	.			trans	-100.2	104.1	174	-178.3	0	0	0	0	109.1	D289 A290 I291 W294 I854 P856	V287-D289 VanDerWaalsContact C-N 3.29Å; V287-D289 HydrophobicContact CG1-CB 4.46Å; V287-D289 PolarHBondContact O-N 3.23Å; V287-A290 HydrophobicContact CG1-CB 4.13Å; V287-A290 CarbonylContact O-C 3.58Å; V287-A290 PolarHBondContact O-N 2.84Å; V287-I291 WeakPolarHBondContact O-CA 2.97Å; V287-I291 PolarHBondContact O-N 2.77Å; V287-I291 VanDerWaalsContact O-N 3.17Å; V287-W294 HydrophobicContact CB-CB 4.34Å; V287-I854 WeakPolarHBondContact CG2-O 3.49Å; V287-P856 HydrophobicContact CG2-CB 4.21Å; V287-P856 VanDerWaalsContact CG2-CD 3.46Å; V287-P856 HydrophobicContact CG2-CG 4.25Å
288	P	84.1	Confident	90.4	Very high	108 Å²	108	57.9 Å²	57.9	70%	0.701	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60	-38.3	-176	-24.5	35.6	0	0	0	113	P286 A290	P286-P288 WeakPolarHBondContact O-CD 3.3Å; P288-A290 PolarHBondContact O-N 2.83Å
289	D	83.8	Confident	90.5	Very high	133 Å²	133	61.8 Å²	61.8	71%	0.711	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20.3	-177.1	-60.4	-27	0	0	0	113.7	V287 K852	V287-D289 VanDerWaalsContact C-N 3.29Å; V287-D289 HydrophobicContact CG1-CB 4.46Å; V287-D289 PolarHBondContact O-N 3.23Å; D289-K852 WeakPolarHBondContact O-CE 3.44Å; D289-K852 PolarHBondContact O-NZ 2.98Å
290	A	86.2	Confident	90.7	Very high	5 Å²	5	60.7 Å²	60.7	4%	0.041	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-142.9	41	-171.1	0	0	0	0	0	112.6	V287 P288 G292 L293 W294 K852	V287-A290 HydrophobicContact CG1-CB 4.13Å; V287-A290 CarbonylContact O-C 3.58Å; V287-A290 PolarHBondContact O-N 2.84Å; P288-A290 PolarHBondContact O-N 2.83Å; A290-G292 VanDerWaalsContact C-N 3.27Å; A290-G292 PolarHBondContact O-N 2.7Å; A290-G292 VanDerWaalsContact O-N 3.14Å; A290-L293 HydrophobicContact CB-CB 4.38Å; A290-L293 HydrophobicContact CB-CD1 4.36Å; A290-L293 PolarHBondContact O-N 3.17Å; A290-W294 PolarHBondContact O-N 3.38Å; A290-K852 HydrophobicContact CB-CB 4.14Å; A290-K852 HydrophobicContact CB-CD 4.06Å
291	I	89.9	Confident	90.7	Very high	113 Å²	113	54.3 Å²	54.3	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-54.9	-38.6	-171.1	-161.6	162.7	0	0	0	113.8	V287 L295	V287-I291 WeakPolarHBondContact O-CA 2.97Å; V287-I291 PolarHBondContact O-N 2.77Å; V287-I291 VanDerWaalsContact O-N 3.17Å; I291-L295 VanDerWaalsContact O-CB 3.25Å; I291-L295 WeakPolarHBondContact O-CB 3.21Å; I291-L295 PolarHBondContact O-N 2.8Å
292	G	90.6	Very high	91	Very high	45 Å²	45	56.2 Å²	56.2	46%	0.464	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-44.5	177.4	0	0	0	0	0	113.2	A290 L295 V296	A290-G292 VanDerWaalsContact C-N 3.27Å; A290-G292 PolarHBondContact O-N 2.7Å; A290-G292 VanDerWaalsContact O-N 3.14Å; G292-L295 PolarHBondContact O-N 3.32Å; G292-V296 WeakPolarHBondContact O-CG2 3.21Å; G292-V296 PolarHBondContact O-N 3.35Å
293	L	90.9	Very high	91.2	Very high	36 Å²	36	60.7 Å²	60.7	19%	0.188	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-41	177.9	-67	172.1	0	0	0	111.3	A290 L295 V296 S297 L843 V846 K852 I854	A290-L293 HydrophobicContact CB-CB 4.38Å; A290-L293 HydrophobicContact CB-CD1 4.36Å; A290-L293 PolarHBondContact O-N 3.17Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L293-V296 PolarHBondContact O-N 2.93Å; L293-S297 WeakPolarHBondContact O-CB 3.41Å; L293-S297 PolarHBondContact O-N 3.06Å; L293-L843 HydrophobicContact CD2-CD2 3.98Å; L293-V846 HydrophobicContact CD1-CG1 4.44Å; L293-V846 HydrophobicContact CD2-CG1 3.8Å; L293-K852 HydrophobicContact CD1-CB 4Å; L293-I854 HydrophobicContact CB-CG1 4.14Å
294	W	92.9	Very high	91.4	Very high	27 Å²	27	58.6 Å²	58.6	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-43.3	174.1	173.6	94.3	0	0	0	111.6	R282 H285 P286 V287 A290 S297 I298	R282-W294 VanDerWaalsContact O-CZ2 3.32Å; R282-W294 WeakPolarHBondContact O-CZ2 3.48Å; H285-W294 PolarHBondContact O-NE1 2.98Å; P286-W294 HydrophobicContact CB-CD2 4.3Å; P286-W294 HydrophobicContact CB-CE3 4.38Å; P286-W294 HydrophobicContact CB-CH2 4.05Å; P286-W294 HydrophobicContact CB-CZ2 3.92Å; P286-W294 HydrophobicContact CB-CZ3 4.27Å; V287-W294 HydrophobicContact CB-CB 4.34Å; A290-W294 PolarHBondContact O-N 3.38Å; W294-S297 PolarHBondContact O-N 3.43Å; W294-I298 HydrophobicContact CE3-CG2 4.38Å; W294-I298 HydrophobicContact CH2-CG2 4.29Å; W294-I298 HydrophobicContact CZ2-CG2 4.48Å; W294-I298 HydrophobicContact CZ3-CG2 4.24Å; W294-I298 PolarHBondContact O-N 2.81Å
295	L	92.8	Very high	91.5	Very high	85 Å²	85	54 Å²	54	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-45.1	179.5	-176.7	65.2	0	0	0	111.5	I291 G292 L293 S297 I298 I299	I291-L295 VanDerWaalsContact O-CB 3.25Å; I291-L295 WeakPolarHBondContact O-CB 3.21Å; I291-L295 PolarHBondContact O-N 2.8Å; G292-L295 PolarHBondContact O-N 3.32Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L295-S297 VanDerWaalsContact C-N 3.34Å; L295-S297 PolarHBondContact O-N 3.05Å; L295-I298 HydrophobicContact CD1-CG2 4.39Å; L295-I298 WeakPolarHBondContact O-CG2 3.23Å; L295-I298 PolarHBondContact O-N 3.11Å; L295-I299 HydrophobicContact CD1-CD1 4.02Å; L295-I299 HydrophobicContact CD1-CG1 4.41Å; L295-I299 HydrophobicContact CG-CD1 3.9Å; L295-I299 WeakPolarHBondContact O-CB 3.41Å; L295-I299 VanDerWaalsContact O-CG1 3.24Å; L295-I299 WeakPolarHBondContact O-CG1 3.22Å; L295-I299 PolarHBondContact O-N 3.41Å; L295-I299 VanDerWaalsContact O-N 3.07Å
296	V	93.3	Very high	91.8	Very high	61 Å²	61	53.9 Å²	53.9	37%	0.37	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-45.5	175.6	173.5	0	0	0	0	110.6	G292 L293 I299 C300 A839 L843	G292-V296 WeakPolarHBondContact O-CG2 3.21Å; G292-V296 PolarHBondContact O-N 3.35Å; L293-V296 PolarHBondContact O-N 2.93Å; V296-I299 PolarHBondContact O-N 3.2Å; V296-C300 PolarHBondContact O-N 2.85Å; V296-C300 PolarHBondContact O-SG 3.45Å; V296-A839 HydrophobicContact CG1-CB 4.07Å; V296-L843 HydrophobicContact CB-CD2 4.43Å; V296-L843 HydrophobicContact CG1-CD1 4.32Å; V296-L843 HydrophobicContact CG1-CD2 4.12Å; V296-L843 HydrophobicContact CG1-CG 4.46Å
297	S	93.4	Very high	92.1	Very high	2 Å²	2	52 Å²	52	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-49.7	177.4	155.1	0	0	0	0	112.5	R282 L293 W294 L295 I299 C300 E301 I854	R282-S297 PolarHBondContact NH2-OG 2.79Å; L293-S297 WeakPolarHBondContact O-CB 3.41Å; L293-S297 PolarHBondContact O-N 3.06Å; W294-S297 PolarHBondContact O-N 3.43Å; L295-S297 VanDerWaalsContact C-N 3.34Å; L295-S297 PolarHBondContact O-N 3.05Å; S297-I299 PolarHBondContact O-N 3.15Å; S297-C300 PolarHBondContact O-N 2.93Å; S297-E301 WeakPolarHBondContact O-CB 3.3Å; S297-E301 WeakPolarHBondContact O-CG 3.38Å; S297-E301 PolarHBondContact O-N 3.28Å; S297-E301 PolarHBondContact OG-OE1 3.39Å; S297-I854 WeakPolarHBondContact OG-CG2 3.49Å
298	I	93.7	Very high	92.4	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-35.7	-176.8	-166.2	53.9	0	0	0	112	L279 R282 I283 W294 L295 E301 I302	L279-I298 HydrophobicContact CD2-CD1 4.3Å; R282-I298 HydrophobicContact CB-CD1 3.56Å; R282-I298 HydrophobicContact CG-CD1 4.43Å; I283-I298 HydrophobicContact CG1-CD1 4.21Å; I283-I298 HydrophobicContact CG1-CG1 4.03Å; W294-I298 HydrophobicContact CE3-CG2 4.38Å; W294-I298 HydrophobicContact CH2-CG2 4.29Å; W294-I298 HydrophobicContact CZ2-CG2 4.48Å; W294-I298 HydrophobicContact CZ3-CG2 4.24Å; W294-I298 PolarHBondContact O-N 2.81Å; L295-I298 HydrophobicContact CD1-CG2 4.39Å; L295-I298 WeakPolarHBondContact O-CG2 3.23Å; L295-I298 PolarHBondContact O-N 3.11Å; I298-E301 HydrophobicContact CD1-CB 4.46Å; I298-E301 PolarHBondContact O-N 3.21Å; I298-I302 HydrophobicContact CD1-CG1 4.48Å; I298-I302 HydrophobicContact CG1-CD1 4.1Å; I298-I302 WeakPolarHBondContact O-CB 3.35Å; I298-I302 VanDerWaalsContact O-CG1 3.23Å; I298-I302 WeakPolarHBondContact O-CG1 3.44Å; I298-I302 PolarHBondContact O-N 2.8Å
299	I	94.7	Very high	92.8	Very high	98 Å²	98	49.9 Å²	49.9	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-44.5	174.1	-69.8	169.8	0	0	0	110.4	L295 V296 S297 I302 W303	L295-I299 HydrophobicContact CD1-CD1 4.02Å; L295-I299 HydrophobicContact CD1-CG1 4.41Å; L295-I299 HydrophobicContact CG-CD1 3.9Å; L295-I299 WeakPolarHBondContact O-CB 3.41Å; L295-I299 VanDerWaalsContact O-CG1 3.24Å; L295-I299 WeakPolarHBondContact O-CG1 3.22Å; L295-I299 PolarHBondContact O-N 3.41Å; L295-I299 VanDerWaalsContact O-N 3.07Å; V296-I299 PolarHBondContact O-N 3.2Å; S297-I299 PolarHBondContact O-N 3.15Å; I299-I302 PolarHBondContact O-N 3.4Å; I299-W303 PolarHBondContact O-N 3.04Å
300	C	95.8	Very high	93.3	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176.6	-63.9	0	0	0	0	111.7	V296 S297 I302 W303 F304 P836 Y840	V296-C300 PolarHBondContact O-N 2.85Å; V296-C300 PolarHBondContact O-SG 3.45Å; S297-C300 PolarHBondContact O-N 2.93Å; C300-I302 PolarHBondContact O-N 3.24Å; C300-W303 WeakPolarHBondContact O-CB 3.41Å; C300-W303 PolarHBondContact O-N 2.92Å; C300-F304 HydrophobicContact CB-CE2 4.44Å; C300-F304 WeakPolarHBondContact O-CD2 3.49Å; C300-F304 WeakPolarHBondContact O-CG 3.08Å; C300-F304 PolarHBondContact O-N 3.47Å; C300-P836 HydrophobicContact CB-CB 4.08Å; C300-P836 PolarHBondContact SG-O 2.85Å; C300-Y840 HydrophobicContact CB-CD2 4.02Å
301	E	94.4	Very high	93.5	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-41.8	178	-75.1	168.2	-154.4	0	0	112.1	L279 R282 S297 I298 F304 A305 Y840	L279-E301 HydrophobicContact CD2-CB 4.23Å; R282-E301 IonicContact CZ-OE1 3.96Å; R282-E301 IonicContact CZ-OE2 3.74Å; R282-E301 IonicContact NE-OE1 3.56Å; R282-E301 IonicContact NE-OE2 2.96Å; R282-E301 PolarHBondContact NE-OE2 2.87Å; R282-E301 IonicContact NH2-OE1 3.45Å; R282-E301 PolarHBondContact NH2-OE1 3.11Å; R282-E301 IonicContact NH2-OE2 3.69Å; S297-E301 WeakPolarHBondContact O-CB 3.3Å; S297-E301 WeakPolarHBondContact O-CG 3.38Å; S297-E301 PolarHBondContact O-N 3.28Å; S297-E301 PolarHBondContact OG-OE1 3.39Å; I298-E301 HydrophobicContact CD1-CB 4.46Å; I298-E301 PolarHBondContact O-N 3.21Å; E301-F304 PolarHBondContact O-N 2.98Å; E301-A305 WeakPolarHBondContact O-CB 3.38Å; E301-A305 PolarHBondContact O-N 2.97Å; E301-Y840 HydrophobicContact CG-CE2 4.36Å
302	I	95.8	Very high	93.7	Very high	71 Å²	71	41.6 Å²	41.6	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-43.6	174.5	-69.7	166.3	0	0	0	110.4	L279 I283 I298 I299 C300 A305 V306	L279-I302 HydrophobicContact CD2-CG1 4.21Å; I283-I302 HydrophobicContact CD1-CD1 4.44Å; I298-I302 HydrophobicContact CD1-CG1 4.48Å; I298-I302 HydrophobicContact CG1-CD1 4.1Å; I298-I302 WeakPolarHBondContact O-CB 3.35Å; I298-I302 VanDerWaalsContact O-CG1 3.23Å; I298-I302 WeakPolarHBondContact O-CG1 3.44Å; I298-I302 PolarHBondContact O-N 2.8Å; I299-I302 PolarHBondContact O-N 3.4Å; C300-I302 PolarHBondContact O-N 3.24Å; I302-A305 WeakPolarHBondContact O-CB 3.46Å; I302-A305 PolarHBondContact O-N 2.9Å; I302-V306 WeakPolarHBondContact O-CG2 3.26Å; I302-V306 PolarHBondContact O-N 2.8Å
303	W	95.9	Very high	93.9	Very high	100 Å²	100	41.4 Å²	41.4	38%	0.379	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-45.6	177.6	-170.6	-75.8	0	0	0	111.8	I299 C300 A305 V306 S307 I829 F832 T833 P836	I299-W303 PolarHBondContact O-N 3.04Å; C300-W303 WeakPolarHBondContact O-CB 3.41Å; C300-W303 PolarHBondContact O-N 2.92Å; W303-A305 VanDerWaalsContact C-N 3.3Å; W303-A305 PolarHBondContact O-N 3.3Å; W303-V306 PolarHBondContact O-N 3.39Å; W303-S307 WeakPolarHBondContact O-CB 3.31Å; W303-S307 PolarHBondContact O-N 3.2Å; W303-I829 HydrophobicContact CZ2-CG2 4.17Å; W303-F832 HydrophobicContact CH2-CB 4.39Å; W303-F832 HydrophobicContact CZ2-CB 3.85Å; W303-T833 PolarHBondContact NE1-OG1 3.27Å; W303-P836 HydrophobicContact CB-CB 4.34Å; W303-P836 HydrophobicContact CB-CG 4.19Å; W303-P836 HydrophobicContact CD2-CG 4.14Å; W303-P836 HydrophobicContact CG-CB 4.35Å; W303-P836 HydrophobicContact CG-CG 3.69Å
304	F	95.1	Very high	94	Very high	46 Å²	46	40.1 Å²	40.1	20%	0.202	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-35	177	-64.4	-24.7	0	0	0	112.5	C300 E301 S307 W308 T833 P836 L837 Y840	C300-F304 HydrophobicContact CB-CE2 4.44Å; C300-F304 WeakPolarHBondContact O-CD2 3.49Å; C300-F304 WeakPolarHBondContact O-CG 3.08Å; C300-F304 PolarHBondContact O-N 3.47Å; E301-F304 PolarHBondContact O-N 2.98Å; F304-S307 PolarHBondContact O-N 3.08Å; F304-W308 WeakPolarHBondContact O-CB 3.47Å; F304-W308 PolarHBondContact O-N 3.5Å; F304-T833 HydrophobicContact CD1-CG2 3.97Å; F304-T833 HydrophobicContact CE1-CG2 3.83Å; F304-P836 HydrophobicContact CE1-CB 4.11Å; F304-P836 HydrophobicContact CE1-CG 4.12Å; F304-P836 HydrophobicContact CZ-CB 4.38Å; F304-L837 HydrophobicContact CE1-CB 4.34Å; F304-L837 HydrophobicContact CZ-CB 4.26Å; F304-L837 HydrophobicContact CZ-CD1 4.18Å; F304-Y840 AromaticContact CE2-CD1 3.82Å; F304-Y840 HydrophobicContact CE2-CD1 3.82Å; F304-Y840 HydrophobicContact CE2-CD2 4.07Å; F304-Y840 HydrophobicContact CE2-CE1 4.35Å; F304-Y840 AromaticContact CE2-CG 3.66Å; F304-Y840 HydrophobicContact CE2-CG 3.66Å; F304-Y840 HydrophobicContact CZ-CG 4.26Å
305	A	95.1	Very high	94.1	Very high	7 Å²	7	39.2 Å²	39.2	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-46	172.7	0	0	0	0	0	111.8	L275 L279 E301 I302 W303 W308 I309	L275-A305 HydrophobicContact CD1-CB 4.33Å; L275-A305 HydrophobicContact CD2-CB 3.77Å; L275-A305 HydrophobicContact CG-CB 4.27Å; L279-A305 HydrophobicContact CD1-CB 3.75Å; E301-A305 WeakPolarHBondContact O-CB 3.38Å; E301-A305 PolarHBondContact O-N 2.97Å; I302-A305 WeakPolarHBondContact O-CB 3.46Å; I302-A305 PolarHBondContact O-N 2.9Å; W303-A305 VanDerWaalsContact C-N 3.3Å; W303-A305 PolarHBondContact O-N 3.3Å; A305-W308 PolarHBondContact O-N 3.23Å; A305-I309 VanDerWaalsContact O-CG1 3.25Å; A305-I309 WeakPolarHBondContact O-CG1 3.48Å; A305-I309 PolarHBondContact O-N 3.39Å
306	V	94	Very high	94.1	Very high	78 Å²	78	38.4 Å²	38.4	47%	0.473	19%	0.191	S	C	.	.	H	α-helix	trans	-64.6	-46	176.8	174.4	0	0	0	0	111.3	I302 W303 W308 I309 L310	I302-V306 WeakPolarHBondContact O-CG2 3.26Å; I302-V306 PolarHBondContact O-N 2.8Å; W303-V306 PolarHBondContact O-N 3.39Å; V306-W308 VanDerWaalsContact C-N 3.34Å; V306-W308 PolarHBondContact O-N 3.29Å; V306-I309 PolarHBondContact O-N 3.19Å; V306-L310 HydrophobicContact CG1-CD1 4.09Å; V306-L310 HydrophobicContact CG1-CG 4.49Å; V306-L310 WeakPolarHBondContact O-CG 3.4Å; V306-L310 PolarHBondContact O-N 3.21Å
307	S	93.7	Very high	94.1	Very high	26 Å²	26	39.7 Å²	39.7	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-45.7	177.3	-175.8	0	0	0	0	111.5	W303 F304 I309 L310 D311	W303-S307 WeakPolarHBondContact O-CB 3.31Å; W303-S307 PolarHBondContact O-N 3.2Å; F304-S307 PolarHBondContact O-N 3.08Å; S307-I309 PolarHBondContact O-N 3.11Å; S307-L310 PolarHBondContact O-N 3.33Å; S307-D311 WeakPolarHBondContact O-CB 3.4Å; S307-D311 PolarHBondContact O-N 3.25Å
308	W	94	Very high	94.1	Very high	29 Å²	29	39.9 Å²	39.9	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-42.1	175.8	175	74.4	0	0	0	112.8	I268 R271 L272 L275 F304 A305 V306 D311 Q312	I268-W308 HydrophobicContact CG2-CH2 4.32Å; I268-W308 HydrophobicContact CG2-CZ2 4.47Å; R271-W308 HydrophobicContact CB-CH2 4.16Å; R271-W308 HydrophobicContact CB-CZ2 4.32Å; R271-W308 VanDerWaalsContact CD-CZ2 3.43Å; R271-W308 HydrophobicContact CG-CH2 3.76Å; R271-W308 HydrophobicContact CG-CZ2 3.75Å; R271-W308 VanDerWaalsContact CZ-CE2 3.45Å; R271-W308 VanDerWaalsContact NH2-NE1 3.12Å; L272-W308 HydrophobicContact CB-CH2 4.46Å; L272-W308 HydrophobicContact CB-CZ3 4.43Å; L272-W308 HydrophobicContact CD1-CZ3 4.07Å; L275-W308 HydrophobicContact CD2-CE3 3.75Å; L275-W308 HydrophobicContact CD2-CZ3 3.94Å; F304-W308 WeakPolarHBondContact O-CB 3.47Å; F304-W308 PolarHBondContact O-N 3.5Å; A305-W308 PolarHBondContact O-N 3.23Å; V306-W308 VanDerWaalsContact C-N 3.34Å; V306-W308 PolarHBondContact O-N 3.29Å; W308-D311 PolarHBondContact O-N 3.28Å; W308-Q312 HydrophobicContact CD2-CG 4.05Å; W308-Q312 VanDerWaalsContact CE2-CG 3.42Å; W308-Q312 HydrophobicContact CG-CG 4.17Å; W308-Q312 HydrophobicContact CZ2-CB 4.48Å; W308-Q312 HydrophobicContact CZ2-CG 3.8Å; W308-Q312 WeakPolarHBondContact O-CB 3.22Å; W308-Q312 VanDerWaalsContact O-CG 3.25Å; W308-Q312 WeakPolarHBondContact O-CG 3.4Å; W308-Q312 PolarHBondContact O-N 2.98Å
309	I	93.9	Very high	94.1	Very high	45 Å²	45	40.8 Å²	40.8	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-45.8	177	-71	166	0	0	0	110.9	L272 A305 V306 S307 D311 Q312 F313	L272-I309 HydrophobicContact CD1-CD1 3.85Å; L272-I309 HydrophobicContact CD1-CG1 3.98Å; A305-I309 VanDerWaalsContact O-CG1 3.25Å; A305-I309 WeakPolarHBondContact O-CG1 3.48Å; A305-I309 PolarHBondContact O-N 3.39Å; V306-I309 PolarHBondContact O-N 3.19Å; S307-I309 PolarHBondContact O-N 3.11Å; I309-D311 VanDerWaalsContact C-N 3.28Å; I309-D311 PolarHBondContact O-N 3.43Å; I309-Q312 PolarHBondContact O-N 2.79Å; I309-F313 HydrophobicContact CG2-CD1 4.45Å; I309-F313 HydrophobicContact CG2-CD2 3.86Å; I309-F313 HydrophobicContact CG2-CE1 4.19Å; I309-F313 HydrophobicContact CG2-CE2 3.55Å; I309-F313 HydrophobicContact CG2-CG 4.31Å; I309-F313 HydrophobicContact CG2-CZ 3.73Å; I309-F313 WeakPolarHBondContact O-CG 3.39Å; I309-F313 PolarHBondContact O-N 3.17Å; I309-F313 VanDerWaalsContact O-N 3.14Å
310	L	92.8	Very high	94	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-32.2	179.5	-72.1	175.1	0	0	0	112.6	V306 S307 P314 F822 I825 N826	V306-L310 HydrophobicContact CG1-CD1 4.09Å; V306-L310 HydrophobicContact CG1-CG 4.49Å; V306-L310 WeakPolarHBondContact O-CG 3.4Å; V306-L310 PolarHBondContact O-N 3.21Å; S307-L310 PolarHBondContact O-N 3.33Å; L310-P314 WeakPolarHBondContact O-CD 3.25Å; L310-P314 VanDerWaalsContact O-CG 3.24Å; L310-P314 WeakPolarHBondContact O-CG 3.33Å; L310-F822 HydrophobicContact CD2-CB 4.36Å; L310-F822 HydrophobicContact CD2-CD2 3.94Å; L310-F822 HydrophobicContact CD2-CE2 4.41Å; L310-F822 HydrophobicContact CD2-CG 4.13Å; L310-I825 HydrophobicContact CD1-CG2 4.25Å; L310-N826 HydrophobicContact CB-CB 4.11Å
311	D	92.1	Very high	93.9	Very high	42 Å²	42	39.6 Å²	39.6	23%	0.225	19%	0.19	C	C	.	.	H	α-helix	trans	-79.1	-38.7	176	177.1	73.5	0	0	0	113.4	S307 W308 I309 K315	S307-D311 WeakPolarHBondContact O-CB 3.4Å; S307-D311 PolarHBondContact O-N 3.25Å; W308-D311 PolarHBondContact O-N 3.28Å; I309-D311 VanDerWaalsContact C-N 3.28Å; I309-D311 PolarHBondContact O-N 3.43Å; D311-K315 IonicContact OD1-NZ 3.83Å; D311-K315 WeakPolarHBondContact OD2-CE 3.18Å; D311-K315 IonicContact OD2-NZ 3.94Å; D311-K315 PolarHBondContact OD2-NZ 3.2Å
312	Q	93.6	Very high	93.8	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-79.2	-38.5	-174.3	-72.6	-65.4	-57.8	0	0	114.2	Y264 W308 I309 K315	Y264-Q312 PolarHBondContact OH-OE1 2.78Å; W308-Q312 HydrophobicContact CD2-CG 4.05Å; W308-Q312 VanDerWaalsContact CE2-CG 3.42Å; W308-Q312 HydrophobicContact CG-CG 4.17Å; W308-Q312 HydrophobicContact CZ2-CB 4.48Å; W308-Q312 HydrophobicContact CZ2-CG 3.8Å; W308-Q312 WeakPolarHBondContact O-CB 3.22Å; W308-Q312 VanDerWaalsContact O-CG 3.25Å; W308-Q312 WeakPolarHBondContact O-CG 3.4Å; W308-Q312 PolarHBondContact O-N 2.98Å; I309-Q312 PolarHBondContact O-N 2.79Å; Q312-K315 WeakPolarHBondContact O-CB 3.4Å; Q312-K315 PolarHBondContact O-N 3.16Å
313	F	94.1	Very high	93.7	Very high	41 Å²	41	40.8 Å²	40.8	18%	0.18	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-63.1	-37.9	-175.5	-74	4.5	0	0	0	113.7	L272 I309 K315 W316 L819 F822	L272-F313 HydrophobicContact CD2-CZ 4.26Å; I309-F313 HydrophobicContact CG2-CD1 4.45Å; I309-F313 HydrophobicContact CG2-CD2 3.86Å; I309-F313 HydrophobicContact CG2-CE1 4.19Å; I309-F313 HydrophobicContact CG2-CE2 3.55Å; I309-F313 HydrophobicContact CG2-CG 4.31Å; I309-F313 HydrophobicContact CG2-CZ 3.73Å; I309-F313 WeakPolarHBondContact O-CG 3.39Å; I309-F313 PolarHBondContact O-N 3.17Å; I309-F313 VanDerWaalsContact O-N 3.14Å; F313-K315 PolarHBondContact O-N 3.45Å; F313-W316 WeakPolarHBondContact O-CB 3.3Å; F313-W316 PolarHBondContact O-N 3.48Å; F313-W316 VanDerWaalsContact O-N 3.16Å; F313-L819 HydrophobicContact CB-CD2 3.86Å; F313-F822 HydrophobicContact CD2-CD2 4.3Å; F313-F822 HydrophobicContact CD2-CE2 4.25Å
314	P	93.4	Very high	93.6	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.058	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.1	-24.2	171.6	-27.8	37	0	0	0	114.6	L310 W316 G610 L611 I614 A823	L310-P314 WeakPolarHBondContact O-CD 3.25Å; L310-P314 VanDerWaalsContact O-CG 3.24Å; L310-P314 WeakPolarHBondContact O-CG 3.33Å; P314-W316 PolarHBondContact O-N 2.88Å; P314-G610 CarbonylContact O-C 3.53Å; P314-L611 HydrophobicContact CB-CD2 3.74Å; P314-I614 VanDerWaalsContact O-CD1 3.31Å; P314-I614 WeakPolarHBondContact O-CD1 3.44Å; P314-A823 HydrophobicContact CB-CB 3.95Å; P314-A823 HydrophobicContact CG-CB 3.79Å
315	K	93.9	Very high	93.5	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.039	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-80.9	3.2	178.8	-58.8	167.3	176.3	171.8	0	113.8	D311 Q312 F313 F317 P318 I606 N607 E880	D311-K315 IonicContact OD1-NZ 3.83Å; D311-K315 WeakPolarHBondContact OD2-CE 3.18Å; D311-K315 IonicContact OD2-NZ 3.94Å; D311-K315 PolarHBondContact OD2-NZ 3.2Å; Q312-K315 WeakPolarHBondContact O-CB 3.4Å; Q312-K315 PolarHBondContact O-N 3.16Å; F313-K315 PolarHBondContact O-N 3.45Å; K315-F317 PolarHBondContact O-N 3.39Å; K315-P318 WeakPolarHBondContact O-CD 3.36Å; K315-I606 HydrophobicContact CD-CG2 4.24Å; K315-N607 WeakPolarHBondContact CE-OD1 3.26Å; K315-E880 WeakPolarHBondContact CD-OE1 3.28Å; K315-E880 IonicContact NZ-OE1 3.84Å; K315-E880 PolarHBondContact NZ-OE1 3.02Å
316	W	93.6	Very high	93.3	Very high	67 Å²	67	43.7 Å²	43.7	25%	0.254	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.8	-30.3	-169.1	-167.8	-83.5	0	0	0	114.8	R265 I268 V269 F313 P314 P318	R265-W316 HydrophobicContact CB-CH2 4.46Å; R265-W316 HydrophobicContact CB-CZ2 4.37Å; R265-W316 HydrophobicContact CG-CD2 4.47Å; R265-W316 HydrophobicContact CG-CZ2 4.32Å; R265-W316 PolarHBondContact NE-O 3.39Å; R265-W316 PolarHBondContact NH2-O 3.02Å; I268-W316 HydrophobicContact CG2-CZ3 4.19Å; V269-W316 HydrophobicContact CG2-CH2 3.68Å; V269-W316 HydrophobicContact CG2-CZ3 4.3Å; F313-W316 WeakPolarHBondContact O-CB 3.3Å; F313-W316 PolarHBondContact O-N 3.48Å; F313-W316 VanDerWaalsContact O-N 3.16Å; P314-W316 PolarHBondContact O-N 2.88Å; W316-P318 VanDerWaalsContact C-CD 3.41Å; W316-P318 WeakPolarHBondContact O-CD 3.43Å
317	F	92.6	Very high	93.2	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.39	21%	0.208	S	C	.	.	S	Bend	trans	-121.4	60.6	-175.1	-61.8	-74.3	0	0	0	112.2	K315 I319 G613 I614 L819	K315-F317 PolarHBondContact O-N 3.39Å; F317-I319 PolarHBondContact O-N 3.19Å; F317-G613 VanDerWaalsContact O-CA 3.3Å; F317-G613 WeakPolarHBondContact O-CA 3.45Å; F317-I614 HydrophobicContact CD2-CG1 4.37Å; F317-L819 HydrophobicContact CD2-CD1 4.02Å; F317-L819 HydrophobicContact CE2-CD1 3.77Å
318	P	94.3	Very high	93	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.039	20%	0.2	C	C	.	.			trans	-69.8	136.8	-178.6	33.1	-33.1	0	0	0	110	I256 V261 K315 W316 K609 W883	I256-P318 HydrophobicContact CD1-CB 3.51Å; I256-P318 HydrophobicContact CD1-CG 3.68Å; V261-P318 HydrophobicContact CG2-CG 4.48Å; K315-P318 WeakPolarHBondContact O-CD 3.36Å; W316-P318 VanDerWaalsContact C-CD 3.41Å; W316-P318 WeakPolarHBondContact O-CD 3.43Å; P318-K609 WeakPolarHBondContact CA-O 3.49Å; P318-W883 HydrophobicContact CB-CE3 4.26Å; P318-W883 HydrophobicContact CB-CH2 3.58Å; P318-W883 HydrophobicContact CB-CZ2 4.17Å; P318-W883 HydrophobicContact CB-CZ3 3.63Å; P318-W883 HydrophobicContact CG-CE3 4.38Å; P318-W883 HydrophobicContact CG-CH2 4.12Å; P318-W883 HydrophobicContact CG-CZ2 4.24Å; P318-W883 HydrophobicContact CG-CZ3 4.2Å
319	I	93.9	Very high	92.9	Very high	26 Å²	26	43.6 Å²	43.6	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.1	177.3	65.4	168.8	0	0	0	110.5	K253 F317 K609 D612	K253-I319 HydrophobicContact CD-CD1 4.38Å; F317-I319 PolarHBondContact O-N 3.19Å; I319-K609 PolarHBondContact N-O 3.36Å; I319-D612 HydrophobicContact CD1-CB 4.32Å; I319-D612 WeakPolarHBondContact CD1-O 3.33Å; I319-D612 WeakPolarHBondContact CD1-OD2 3.32Å; I319-D612 HydrophobicContact CG1-CB 4.07Å
320	D	92.4	Very high	92.5	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.283	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	164.3	165.4	-70.1	-50	0	0	0	109.6	V254 K609	V254-D320 HydrophobicContact CB-CB 4.24Å; V254-D320 PolarHBondContact N-O 3.35Å; V254-D320 PolarHBondContact O-N 2.85Å; V254-D320 VanDerWaalsContact O-O 3.13Å; D320-K609 WeakPolarHBondContact OD1-CD 3.27Å; D320-K609 VanDerWaalsContact OD1-CE 3.29Å; D320-K609 WeakPolarHBondContact OD1-CE 3.17Å; D320-K609 IonicContact OD1-NZ 3.05Å; D320-K609 PolarHBondContact OD1-NZ 3.13Å
321	R	93.5	Very high	92.3	Very high	25 Å²	25	47.8 Å²	47.8	9%	0.094	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.7	178.6	-65	-176.3	-177.9	-120.8	17.3	111.3	R252 F568 D612	R252-R321 WeakPolarHBondContact O-CA 3.31Å; R321-F568 HydrophobicContact CB-CE1 4.28Å; R321-F568 HydrophobicContact CB-CZ 4.14Å; R321-D612 WeakPolarHBondContact CD-OD2 3.46Å; R321-D612 IonicContact CZ-OD1 3.27Å; R321-D612 IonicContact CZ-OD2 3.62Å; R321-D612 IonicContact NE-OD1 2.82Å; R321-D612 PolarHBondContact NE-OD1 3.4Å; R321-D612 IonicContact NE-OD2 2.75Å; R321-D612 PolarHBondContact NE-OD2 3.13Å; R321-D612 IonicContact NH2-OD1 3.15Å; R321-D612 PolarHBondContact NH2-OD1 3.29Å; R321-D612 IonicContact NH2-OD2 3.59Å
322	E	92.6	Very high	92.2	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.2	173.1	-69	176.3	-179.5	0	0	109.8	S251 R252 V254 Y324	S251-E322 CarbonylContact C-O 3.25Å; S251-E322 VanDerWaalsContact CA-O 3.26Å; S251-E322 WeakPolarHBondContact CA-O 3.29Å; S251-E322 WeakPolarHBondContact CB-O 3.22Å; R252-E322 PolarHBondContact N-O 3.15Å; R252-E322 PolarHBondContact O-N 2.82Å; V254-E322 HydrophobicContact CG2-CG 3.85Å; E322-Y324 PolarHBondContact OE2-OH 3.16Å
323	T	94	Very high	91.9	Very high	33 Å²	33	49.1 Å²	49.1	20%	0.202	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.2	175.4	47.7	0	0	0	0	109.3	E564 C567 F568	T323-E564 HydrophobicContact CG2-CB 4.28Å; T323-E564 PolarHBondContact OG1-OE2 2.68Å; T323-C567 HydrophobicContact CG2-CB 4.05Å; T323-F568 HydrophobicContact CG2-CD2 4.26Å; T323-F568 HydrophobicContact CG2-CE1 4.32Å; T323-F568 HydrophobicContact CG2-CE2 3.32Å; T323-F568 HydrophobicContact CG2-CZ 3.37Å
324	Y	93.2	Very high	91.3	Very high	52 Å²	52	53 Å²	53	20%	0.204	25%	0.248	C	C	.	.			trans	-115.4	88.4	177.9	-57.1	-64.9	0	0	0	109.4	L250 R252 E322 D326 R327 L328	L250-Y324 PolarHBondContact O-N 2.69Å; R252-Y324 HydrophobicContact CB-CE2 3.83Å; E322-Y324 PolarHBondContact OE2-OH 3.16Å; Y324-D326 VanDerWaalsContact C-N 3.34Å; Y324-D326 PolarHBondContact O-N 3.1Å; Y324-R327 PolarHBondContact O-N 3.08Å; Y324-L328 PolarHBondContact O-N 2.76Å
325	L	92.3	Very high	90.7	Very high	30 Å²	30	62.3 Å²	62.3	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-38.8	-176.9	-64.4	-178	0	0	0	112.5	R327 L328 T329 K560 R563 E564	L325-R327 PolarHBondContact O-N 3.45Å; L325-L328 WeakPolarHBondContact O-CA 3.39Å; L325-L328 VanDerWaalsContact O-CB 3.31Å; L325-L328 WeakPolarHBondContact O-CB 3.09Å; L325-L328 PolarHBondContact O-N 3.1Å; L325-T329 PolarHBondContact O-N 3.04Å; L325-K560 HydrophobicContact CD1-CB 3.91Å; L325-K560 HydrophobicContact CD1-CD 3.69Å; L325-K560 HydrophobicContact CD1-CG 4.29Å; L325-R563 HydrophobicContact CD2-CB 3.74Å; L325-E564 HydrophobicContact CD1-CG 4.09Å; L325-E564 HydrophobicContact CD2-CB 4.42Å; L325-E564 HydrophobicContact CD2-CG 3.7Å; L325-E564 HydrophobicContact CG-CG 4.21Å
326	D	91.4	Very high	90.1	Very high	132 Å²	132	66.1 Å²	66.1	71%	0.706	33%	0.333	S	S	*	.	H	α-helix	trans	-59	-37.7	-180	-47.6	-31.7	0	0	0	111.5	Y324 T329 L330	Y324-D326 VanDerWaalsContact C-N 3.34Å; Y324-D326 PolarHBondContact O-N 3.1Å; D326-T329 PolarHBondContact O-N 3.14Å; D326-L330 WeakPolarHBondContact O-CB 3.43Å; D326-L330 VanDerWaalsContact O-CG 3.23Å; D326-L330 WeakPolarHBondContact O-CG 3.41Å; D326-L330 PolarHBondContact O-N 3.25Å
327	R	91.2	Very high	89.7	Confident	76 Å²	76	67.9 Å²	67.9	29%	0.287	34%	0.343	S	S	.	.	H	α-helix	trans	-72.9	-29.2	177.3	-61.2	-176.9	-173.2	153.6	7.4	113	Q248 P249 L250 Y324 L325 R331	Q248-R327 VanDerWaalsContact OE1-NE 3.14Å; P249-R327 PolarHBondContact O-NH1 2.75Å; L250-R327 HydrophobicContact CD2-CB 3.92Å; Y324-R327 PolarHBondContact O-N 3.08Å; L325-R327 PolarHBondContact O-N 3.45Å; R327-R331 VanDerWaalsContact O-CB 3.32Å; R327-R331 WeakPolarHBondContact O-CB 3.46Å; R327-R331 PolarHBondContact O-N 3.07Å
328	L	91.2	Very high	89.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-49.9	174.1	-177.2	78.7	0	0	0	109.4	L250 Y324 L325 R331 Y332 L341 R563 M566	L250-L328 HydrophobicContact CD1-CD1 4.04Å; Y324-L328 PolarHBondContact O-N 2.76Å; L325-L328 WeakPolarHBondContact O-CA 3.39Å; L325-L328 VanDerWaalsContact O-CB 3.31Å; L325-L328 WeakPolarHBondContact O-CB 3.09Å; L325-L328 PolarHBondContact O-N 3.1Å; L328-R331 PolarHBondContact O-N 3.18Å; L328-Y332 HydrophobicContact CD1-CD2 3.65Å; L328-Y332 HydrophobicContact CD1-CE2 3.96Å; L328-Y332 HydrophobicContact CG-CD2 4.34Å; L328-Y332 PolarHBondContact O-N 3.35Å; L328-L341 HydrophobicContact CD1-CD2 4.38Å; L328-L341 HydrophobicContact CD2-CD2 4.19Å; L328-L341 HydrophobicContact CG-CD2 4.18Å; L328-R563 HydrophobicContact CD2-CB 4.16Å; L328-R563 WeakPolarHBondContact CD2-O 3.48Å; L328-M566 HydrophobicContact CD1-CB 4.26Å; L328-M566 HydrophobicContact CD2-CB 3.99Å
329	T	90.1	Very high	89.2	Confident	55 Å²	55	69.9 Å²	69.9	34%	0.337	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-49.1	178.5	-65	0	0	0	0	111.1	L325 D326 R331 Y332 E333	L325-T329 PolarHBondContact O-N 3.04Å; D326-T329 PolarHBondContact O-N 3.14Å; T329-R331 PolarHBondContact O-N 3.44Å; T329-R331 VanDerWaalsContact O-N 3.08Å; T329-Y332 PolarHBondContact O-N 3.37Å; T329-E333 HydrophobicContact CG2-CB 4.01Å; T329-E333 CarbonylContact O-C 3.58Å; T329-E333 VanDerWaalsContact O-C 3.25Å; T329-E333 VanDerWaalsContact O-CA 3.31Å; T329-E333 WeakPolarHBondContact O-CA 3.24Å; T329-E333 WeakPolarHBondContact O-CB 3.27Å; T329-E333 PolarHBondContact O-N 3.03Å; T329-E333 VanDerWaalsContact O-O 3.07Å; T329-E333 PolarHBondContact OG1-OE2 3.49Å
330	L	87.5	Confident	89.1	Confident	131 Å²	131	73.3 Å²	73.3	69%	0.686	38%	0.384	S	S	*	.	H	α-helix	trans	-56.6	-30.8	176.4	-73.6	167.9	0	0	0	113.9	D326	D326-L330 WeakPolarHBondContact O-CB 3.43Å; D326-L330 VanDerWaalsContact O-CG 3.23Å; D326-L330 WeakPolarHBondContact O-CG 3.41Å; D326-L330 PolarHBondContact O-N 3.25Å
331	R	87.7	Confident	89.2	Confident	28 Å²	28	71 Å²	71	11%	0.106	37%	0.372	C	S	.	.	H	α-helix	trans	-86.9	-43.2	-177.2	-174.3	175.4	-57.3	176.9	6	113.5	A246 Q248 R327 L328 T329	A246-R331 PolarHBondContact O-NE 3.2Å; A246-R331 PolarHBondContact O-NH1 3.39Å; A246-R331 PolarHBondContact O-NH2 3.47Å; Q248-R331 PolarHBondContact O-NH2 2.87Å; R327-R331 VanDerWaalsContact O-CB 3.32Å; R327-R331 WeakPolarHBondContact O-CB 3.46Å; R327-R331 PolarHBondContact O-N 3.07Å; L328-R331 PolarHBondContact O-N 3.18Å; T329-R331 PolarHBondContact O-N 3.44Å; T329-R331 VanDerWaalsContact O-N 3.08Å
332	Y	89.3	Confident	89.2	Confident	39 Å²	39	71.3 Å²	71.3	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-113.1	-10.6	-168.8	-65.4	-71.6	0	0	0	114	L250 L328 T329 L340 L341 M570	L250-Y332 HydrophobicContact CD1-CE2 3.9Å; L328-Y332 HydrophobicContact CD1-CD2 3.65Å; L328-Y332 HydrophobicContact CD1-CE2 3.96Å; L328-Y332 HydrophobicContact CG-CD2 4.34Å; L328-Y332 PolarHBondContact O-N 3.35Å; T329-Y332 PolarHBondContact O-N 3.37Å; Y332-L340 HydrophobicContact CD1-CB 4.02Å; Y332-L340 WeakPolarHBondContact O-CB 3.49Å; Y332-L340 PolarHBondContact O-N 3.09Å; Y332-L341 HydrophobicContact CG-CD2 4.47Å; Y332-M570 HydrophobicContact CD1-CE 3.71Å; Y332-M570 HydrophobicContact CD2-CE 4.23Å; Y332-M570 HydrophobicContact CE1-CE 3.67Å; Y332-M570 HydrophobicContact CE2-CB 4.1Å; Y332-M570 HydrophobicContact CE2-CE 4.14Å; Y332-M570 HydrophobicContact CG-CE 4.01Å; Y332-M570 PolarHBondContact OH-O 3.31Å
333	E	86.9	Confident	89.4	Confident	40 Å²	40	68.4 Å²	68.4	19%	0.187	37%	0.367	C	S	.	.			trans	-127.4	71.9	176.4	-70.4	169.1	120.9	0	0	108.7	T329 S339 L341 R563	T329-E333 HydrophobicContact CG2-CB 4.01Å; T329-E333 CarbonylContact O-C 3.58Å; T329-E333 VanDerWaalsContact O-C 3.25Å; T329-E333 VanDerWaalsContact O-CA 3.31Å; T329-E333 WeakPolarHBondContact O-CA 3.24Å; T329-E333 WeakPolarHBondContact O-CB 3.27Å; T329-E333 PolarHBondContact O-N 3.03Å; T329-E333 VanDerWaalsContact O-O 3.07Å; T329-E333 PolarHBondContact OG1-OE2 3.49Å; E333-S339 WeakPolarHBondContact CG-OG 3.46Å; E333-L341 HydrophobicContact CG-CD1 3.67Å; E333-L341 HydrophobicContact CG-CG 3.98Å; E333-L341 WeakPolarHBondContact OE1-CD1 3.48Å; E333-R563 IonicContact OE1-CZ 2.84Å; E333-R563 IonicContact OE1-NH1 3.26Å; E333-R563 PolarHBondContact OE1-NH1 3.49Å; E333-R563 IonicContact OE1-NH2 3.21Å; E333-R563 PolarHBondContact OE1-NH2 2.79Å; E333-R563 IonicContact OE2-CZ 4Å; E333-R563 IonicContact OE2-NH1 3.38Å; E333-R563 PolarHBondContact OE2-NH1 3.47Å; E333-R563 IonicContact OE2-NH2 3.49Å
334	R	83.3	Confident	89.5	Confident	124 Å²	124	66.8 Å²	66.8	47%	0.468	36%	0.358	S	S	.	.			trans	-75	131.1	175	-68	170.4	178.4	-178.7	2.8	109.3	G336 E337	R334-G336 PolarHBondContact O-N 2.96Å; R334-E337 HydrophobicContact CB-CB 4.21Å; R334-E337 HydrophobicContact CB-CG 4.49Å; R334-E337 WeakPolarHBondContact CD-OE2 3.47Å; R334-E337 IonicContact NH1-OE2 3.21Å; R334-E337 PolarHBondContact O-N 3.5Å; R334-E337 VanDerWaalsContact O-N 3.11Å
335	E	79.1	Confident	89.7	Confident	203 Å²	203	64.4 Å²	64.4	95%	0.949	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	126	177.7	-67.4	-172.3	168.3	0	0	110.6
336	G	81.7	Confident	90	Very high	90 Å²	90	63 Å²	63	93%	0.928	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-10.7	-178.9	0	0	0	0	0	115.7	R334	R334-G336 PolarHBondContact O-N 2.96Å
337	E	86.5	Confident	90.3	Very high	103 Å²	103	56.7 Å²	56.7	48%	0.481	31%	0.307	S	S	.	.	S	Bend	trans	-104.4	153.5	173.5	-70.7	-178.6	-179.7	0	0	110.9	R334	R334-E337 HydrophobicContact CB-CB 4.21Å; R334-E337 HydrophobicContact CB-CG 4.49Å; R334-E337 WeakPolarHBondContact CD-OE2 3.47Å; R334-E337 IonicContact NH1-OE2 3.21Å; R334-E337 PolarHBondContact O-N 3.5Å; R334-E337 VanDerWaalsContact O-N 3.11Å
338	P	87.2	Confident	90.6	Very high	108 Å²	108	53.1 Å²	53.1	70%	0.701	29%	0.294	S	S	*	.			trans	-61.3	142.1	171.8	26.8	-34.2	0	0	0	110.4	L340	P338-L340 PolarHBondContact O-N 3.22Å
339	S	89.2	Confident	90.7	Very high	29 Å²	29	53.7 Å²	53.7	20%	0.203	30%	0.298	C	S	.	.			trans	-61.1	125	179.8	-173.7	0	0	0	0	111.3	E333 L341	E333-S339 WeakPolarHBondContact CG-OG 3.46Å; S339-L341 PolarHBondContact O-N 3.31Å; S339-L341 WeakPolarHBondContact OG-CB 3.4Å; S339-L341 PolarHBondContact OG-N 3.06Å
340	L	91.4	Very high	90.7	Very high	99 Å²	99	51.2 Å²	51.2	52%	0.518	28%	0.283	S	S	.	.			trans	-86.5	7.7	174.5	-59.6	176.1	0	0	0	112.2	Y332 P338 M570	Y332-L340 HydrophobicContact CD1-CB 4.02Å; Y332-L340 WeakPolarHBondContact O-CB 3.49Å; Y332-L340 PolarHBondContact O-N 3.09Å; P338-L340 PolarHBondContact O-N 3.22Å; L340-M570 WeakPolarHBondContact O-CE 3.04Å
341	L	93.6	Very high	90.7	Very high	3 Å²	3	48 Å²	48	2%	0.016	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-64.5	137.6	173.5	-75.1	176.9	0	0	0	110.8	L328 Y332 E333 S339 Y373 P374 K377 M570	L328-L341 HydrophobicContact CD1-CD2 4.38Å; L328-L341 HydrophobicContact CD2-CD2 4.19Å; L328-L341 HydrophobicContact CG-CD2 4.18Å; Y332-L341 HydrophobicContact CG-CD2 4.47Å; E333-L341 HydrophobicContact CG-CD1 3.67Å; E333-L341 HydrophobicContact CG-CG 3.98Å; E333-L341 WeakPolarHBondContact OE1-CD1 3.48Å; S339-L341 PolarHBondContact O-N 3.31Å; S339-L341 WeakPolarHBondContact OG-CB 3.4Å; S339-L341 PolarHBondContact OG-N 3.06Å; L341-Y373 HydrophobicContact CB-CE1 4.41Å; L341-Y373 HydrophobicContact CD1-CD2 4.31Å; L341-Y373 HydrophobicContact CD1-CE2 3.77Å; L341-Y373 HydrophobicContact CD2-CE2 4.48Å; L341-P374 HydrophobicContact CD1-CG 4.1Å; L341-K377 WeakPolarHBondContact O-CD 3.43Å; L341-K377 VanDerWaalsContact O-CE 3.31Å; L341-K377 WeakPolarHBondContact O-CE 3.48Å; L341-M570 HydrophobicContact CD2-SD 3.96Å
342	S	94.5	Very high	90.6	Very high	32 Å²	32	48.8 Å²	48.8	22%	0.224	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.9	147.6	176.8	-59.4	0	0	0	0	111.4	Y373	S342-Y373 WeakPolarHBondContact O-CE1 3.31Å; S342-Y373 PolarHBondContact O-OH 2.93Å
343	S	95.7	Very high	90.5	Very high	29 Å²	29	47.3 Å²	47.3	20%	0.203	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.6	151.2	173	46.8	0	0	0	0	112.1	K377 A544 P545	S343-K377 CarbonylContact C-O 3.59Å; S343-K377 VanDerWaalsContact CA-O 3.25Å; S343-K377 WeakPolarHBondContact CA-O 3.34Å; S343-A544 WeakPolarHBondContact OG-CA 3.35Å; S343-P545 VanDerWaalsContact OG-CD 3.26Å; S343-P545 WeakPolarHBondContact OG-CD 3.36Å
344	V	97.2	Very high	90.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.8	-178.9	-172.4	0	0	0	0	109.5	Y373 K377 S379 F546 L548 I562 M566	V344-Y373 HydrophobicContact CG2-CE1 4.16Å; V344-K377 PolarHBondContact N-O 3.45Å; V344-S379 PolarHBondContact O-N 2.82Å; V344-F546 WeakPolarHBondContact CA-O 3.33Å; V344-F546 HydrophobicContact CG2-CB 4.34Å; V344-L548 HydrophobicContact CG1-CB 4.27Å; V344-I562 HydrophobicContact CB-CG2 4.4Å; V344-I562 HydrophobicContact CG1-CG2 4.44Å; V344-I562 HydrophobicContact CG2-CG2 3.88Å; V344-M566 HydrophobicContact CG2-CE 3.73Å; V344-M566 HydrophobicContact CG2-SD 4.32Å
345	D	97.8	Very high	90.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.1	170.1	-64	-36.5	0	0	0	109.7	F347 S379 Y381 S538 T542 A544 F546 M547 L548 R628	D345-F347 HydrophobicContact CB-CD1 4.38Å; D345-F347 HydrophobicContact CB-CE1 3.72Å; D345-F347 HydrophobicContact CB-CZ 4.34Å; D345-S379 CarbonylContact C-O 3.34Å; D345-S379 WeakPolarHBondContact CA-O 3.46Å; D345-S379 WeakPolarHBondContact OD1-CB 3.41Å; D345-Y381 HydrophobicContact CB-CD2 4.17Å; D345-Y381 HydrophobicContact CB-CE2 4.07Å; D345-S538 WeakPolarHBondContact OD2-CB 3.5Å; D345-S538 PolarHBondContact OD2-OG 3.03Å; D345-T542 PolarHBondContact OD1-OG1 3.07Å; D345-T542 PolarHBondContact OD2-OG1 3.4Å; D345-A544 HydrophobicContact CB-CB 4.14Å; D345-A544 VanDerWaalsContact OD2-CB 3.24Å; D345-A544 WeakPolarHBondContact OD2-CB 3.4Å; D345-A544 PolarHBondContact OD2-N 2.94Å; D345-F546 PolarHBondContact N-O 3.25Å; D345-M547 HydrophobicContact CB-CG 4.34Å; D345-M547 CarbonylContact O-C 3.33Å; D345-M547 WeakPolarHBondContact O-CA 3.11Å; D345-L548 PolarHBondContact O-N 3.47Å; D345-R628 IonicContact OD2-NH2 3.42Å; D345-R628 PolarHBondContact OD2-NH2 3.33Å; D345-R628 VanDerWaalsContact OD2-NH2 3.09Å
346	L	97.9	Very high	90.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.9	175.9	-65.6	96.4	0	0	0	110	I368 V378 S379 C380 Y381 L548 I556 I562	L346-I368 HydrophobicContact CB-CD1 4.47Å; L346-I368 HydrophobicContact CB-CG2 3.89Å; L346-I368 HydrophobicContact CD1-CG2 4.07Å; L346-I368 HydrophobicContact CD2-CB 4.36Å; L346-I368 HydrophobicContact CD2-CG1 3.98Å; L346-I368 HydrophobicContact CD2-CG2 3.75Å; L346-I368 HydrophobicContact CG-CG2 4.11Å; L346-V378 HydrophobicContact CD1-CG1 3.49Å; L346-V378 VanDerWaalsContact CD1-CG1 3.49Å; L346-S379 PolarHBondContact N-O 3.05Å; L346-C380 CarbonylContact O-C 3.37Å; L346-Y381 PolarHBondContact O-N 3.26Å; L346-L548 CarbonylContact C-O 3.5Å; L346-L548 VanDerWaalsContact CA-O 3.32Å; L346-L548 WeakPolarHBondContact CA-O 3.45Å; L346-L548 HydrophobicContact CD2-CB 4.34Å; L346-L548 HydrophobicContact CD2-CD1 3.87Å; L346-L548 HydrophobicContact CD2-CD2 4.07Å; L346-L548 HydrophobicContact CD2-CG 4.33Å; L346-L548 HydrophobicContact CG-CB 4.1Å; L346-L548 HydrophobicContact CG-CD1 4.44Å; L346-I556 HydrophobicContact CD2-CD1 3.91Å; L346-I562 HydrophobicContact CD1-CD1 4.2Å; L346-I562 HydrophobicContact CD2-CD1 4.11Å
347	F	97.8	Very high	90.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.9	-176.2	-65.6	-10.9	0	0	0	110.2	D345 Y381 M531 L534 I535 M547 L548 L550	D345-F347 HydrophobicContact CB-CD1 4.38Å; D345-F347 HydrophobicContact CB-CE1 3.72Å; D345-F347 HydrophobicContact CB-CZ 4.34Å; F347-Y381 WeakPolarHBondContact CA-O 3.44Å; F347-Y381 HydrophobicContact CD1-CD2 4.21Å; F347-Y381 HydrophobicContact CD1-CG 4.2Å; F347-Y381 AromaticContact CE1-CD2 3.95Å; F347-Y381 HydrophobicContact CE1-CD2 3.95Å; F347-Y381 HydrophobicContact CE1-CG 4.07Å; F347-M531 HydrophobicContact CB-CE 4.05Å; F347-M531 HydrophobicContact CD2-CE 3.76Å; F347-M531 HydrophobicContact CG-CE 4.42Å; F347-L534 HydrophobicContact CB-CD1 3.79Å; F347-L534 HydrophobicContact CD1-CB 4.4Å; F347-L534 HydrophobicContact CD1-CD1 4.28Å; F347-L534 HydrophobicContact CD2-CB 4Å; F347-L534 HydrophobicContact CD2-CD1 4.24Å; F347-L534 HydrophobicContact CE1-CB 4.34Å; F347-L534 HydrophobicContact CE2-CB 3.95Å; F347-L534 HydrophobicContact CG-CB 4.22Å; F347-L534 HydrophobicContact CG-CD1 3.86Å; F347-L534 HydrophobicContact CZ-CB 4.13Å; F347-I535 HydrophobicContact CE2-CG1 4.21Å; F347-M547 HydrophobicContact CE2-CB 4.08Å; F347-M547 HydrophobicContact CE2-CG 4.01Å; F347-M547 HydrophobicContact CE2-SD 3.49Å; F347-M547 WeakPolarHBondContact CE2-SD 3.48Å; F347-M547 HydrophobicContact CZ-CB 4.31Å; F347-M547 HydrophobicContact CZ-CG 3.86Å; F347-M547 HydrophobicContact CZ-SD 3.52Å; F347-M547 VanDerWaalsContact CZ-SD 3.52Å; F347-L548 PolarHBondContact N-O 3.19Å; F347-L550 PolarHBondContact O-N 3.18Å
348	V	96.6	Very high	90.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.8	172.2	-176.5	0	0	0	0	108.2	T364 I368 Y381 V382 S383 L550 C552	V348-T364 HydrophobicContact CG1-CG2 4.39Å; V348-T364 HydrophobicContact CG2-CG2 4.21Å; V348-I368 HydrophobicContact CG2-CD1 3.32Å; V348-Y381 PolarHBondContact N-O 3.34Å; V348-V382 HydrophobicContact CB-CG2 4.3Å; V348-V382 CarbonylContact O-C 3.3Å; V348-V382 WeakPolarHBondContact O-CA 3.49Å; V348-S383 PolarHBondContact O-N 3.29Å; V348-L550 WeakPolarHBondContact CA-O 3.25Å; V348-C552 HydrophobicContact CG1-CB 4.19Å
349	S	92.9	Very high	91	Very high	13 Å²	13	30.4 Å²	30.4	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.2	175.1	60.3	0	0	0	0	110.8
350	T	92	Very high	91.2	Very high	2 Å²	2	30 Å²	30	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.7	170.6	-177.2	0	0	0	0	110.6	E356 S383 D384 D385 T391	T350-E356 WeakPolarHBondContact CA-OE2 3.49Å; T350-E356 PolarHBondContact OG1-OE2 2.88Å; T350-S383 PolarHBondContact N-O 3.13Å; T350-D384 HydrophobicContact CG2-CB 4.25Å; T350-D385 PolarHBondContact O-N 3.1Å; T350-T391 HydrophobicContact CG2-CG2 3.97Å
351	V	87.3	Confident	91.3	Very high	64 Å²	64	25.5 Å²	25.5	39%	0.388	14%	0.143	S	C	.	.	S	Bend	trans	-102.7	-51.5	-175.6	-178.6	0	0	0	0	111.9	E356 G386 V927	V351-E356 PolarHBondContact N-OE2 2.92Å; V351-G386 VanDerWaalsContact O-CA 3.27Å; V351-G386 WeakPolarHBondContact O-CA 3.38Å; V351-G386 PolarHBondContact O-N 3.2Å; V351-G386 VanDerWaalsContact O-N 3.15Å; V351-V927 HydrophobicContact CG1-CG2 4.41Å
352	D	84.8	Confident	91.4	Very high	45 Å²	45	25.5 Å²	25.5	24%	0.241	14%	0.143	C	C	.	.			trans	-156.6	118.3	-172.1	179.4	-3.3	0	0	0	109.6	L354 K355 E356	D352-L354 PolarHBondContact O-N 3.34Å; D352-L354 VanDerWaalsContact O-N 3.11Å; D352-L354 PolarHBondContact OD1-N 2.98Å; D352-K355 PolarHBondContact O-N 2.91Å; D352-E356 PolarHBondContact O-N 3.5Å
353	P	86.6	Confident	91.5	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.052	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16	-176.5	27.3	-35.9	0	0	0	114	E356 P358 L390	P353-E356 CarbonylContact C-O 3.51Å; P353-E356 WeakPolarHBondContact CA-O 3.34Å; P353-E356 CarbonylContact O-C 3.49Å; P353-P358 HydrophobicContact CB-CG 3.78Å; P353-P358 WeakPolarHBondContact O-CD 2.92Å; P353-L390 HydrophobicContact CB-CD2 3.69Å; P353-L390 HydrophobicContact CB-CG 4.11Å; P353-L390 HydrophobicContact CG-CB 4.26Å; P353-L390 HydrophobicContact CG-CD2 3.93Å; P353-L390 HydrophobicContact CG-CG 4.32Å
354	L	82.5	Confident	91.5	Very high	120 Å²	120	22.8 Å²	22.8	63%	0.628	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.2	175.1	-64.7	178.6	0	0	0	113	D352	D352-L354 PolarHBondContact O-N 3.34Å; D352-L354 VanDerWaalsContact O-N 3.11Å; D352-L354 PolarHBondContact OD1-N 2.98Å
355	K	79.5	Confident	91.5	Very high	83 Å²	83	22.9 Å²	22.9	36%	0.361	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-28.9	178.3	-62.4	-179.4	-169.8	161	0	112.3	D352 V927	D352-K355 PolarHBondContact O-N 2.91Å; K355-V927 HydrophobicContact CD-CB 3.91Å; K355-V927 HydrophobicContact CD-CG1 4.23Å
356	E	82.2	Confident	91.5	Very high	37 Å²	37	22.8 Å²	22.8	17%	0.173	12%	0.124	C	C	.	.	S	Bend	trans	-121.3	92.5	-179.6	-66.2	165.7	-179.6	0	0	107	T350 V351 D352 P353 C552	T350-E356 WeakPolarHBondContact CA-OE2 3.49Å; T350-E356 PolarHBondContact OG1-OE2 2.88Å; V351-E356 PolarHBondContact N-OE2 2.92Å; D352-E356 PolarHBondContact O-N 3.5Å; P353-E356 CarbonylContact C-O 3.51Å; P353-E356 WeakPolarHBondContact CA-O 3.34Å; P353-E356 CarbonylContact O-C 3.49Å; E356-C552 VanDerWaalsContact CD-SG 3.51Å; E356-C552 PolarHBondContact OE2-SG 3.38Å
357	P	86.7	Confident	91.4	Very high	41 Å²	41	22.8 Å²	22.8	27%	0.266	12%	0.124	S	C	.	.			trans	-52.7	133.4	-172.6	-27.2	33.9	0	0	0	111.9	L359 V360 T361	P357-L359 PolarHBondContact O-N 2.83Å; P357-V360 HydrophobicContact CB-CG2 4.25Å; P357-V360 HydrophobicContact CG-CG2 4.5Å; P357-V360 WeakPolarHBondContact O-CB 3.11Å; P357-V360 PolarHBondContact O-N 3.05Å; P357-T361 PolarHBondContact O-N 3.23Å
358	P	91.7	Very high	91.4	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.045	12%	0.123	C	C	.	.	H	α-helix	trans	-55.8	-29.2	-177.2	-27.6	33.9	0	0	0	114	P353 V360 T361 A362 L390 A394 V460	P353-P358 HydrophobicContact CB-CG 3.78Å; P353-P358 WeakPolarHBondContact O-CD 2.92Å; P358-V360 VanDerWaalsContact C-N 3.3Å; P358-V360 PolarHBondContact O-N 3.01Å; P358-T361 PolarHBondContact O-N 2.79Å; P358-A362 WeakPolarHBondContact O-CB 3.18Å; P358-A362 PolarHBondContact O-N 2.95Å; P358-L390 HydrophobicContact CG-CD1 4.12Å; P358-L390 HydrophobicContact CG-CD2 3.78Å; P358-L390 HydrophobicContact CG-CG 3.74Å; P358-A394 HydrophobicContact CB-CB 3.73Å; P358-V460 HydrophobicContact CG-CG2 4Å
359	L	93.8	Very high	91.4	Very high	24 Å²	24	22.8 Å²	22.8	13%	0.126	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-36.9	175.7	-175	63.7	0	0	0	112.3	P357 A362 N363 F452 K453 I456	P357-L359 PolarHBondContact O-N 2.83Å; L359-A362 PolarHBondContact O-N 2.78Å; L359-N363 WeakPolarHBondContact O-CB 3.46Å; L359-N363 PolarHBondContact O-N 2.81Å; L359-N363 PolarHBondContact O-ND2 2.99Å; L359-F452 HydrophobicContact CD1-CE1 4.13Å; L359-K453 HydrophobicContact CD2-CD 4.29Å; L359-K453 HydrophobicContact CD2-CG 4.02Å; L359-I456 HydrophobicContact CB-CG2 4.13Å; L359-I456 HydrophobicContact CD1-CG2 4.42Å
360	V	92.4	Very high	91.5	Very high	22 Å²	22	22.1 Å²	22.1	13%	0.133	12%	0.119	C	C	.	.	H	α-helix	trans	-67.3	-47	177.2	179.5	0	0	0	0	109.7	P357 P358 A362 N363 T364 D553	P357-V360 HydrophobicContact CB-CG2 4.25Å; P357-V360 HydrophobicContact CG-CG2 4.5Å; P357-V360 WeakPolarHBondContact O-CB 3.11Å; P357-V360 PolarHBondContact O-N 3.05Å; P358-V360 VanDerWaalsContact C-N 3.3Å; P358-V360 PolarHBondContact O-N 3.01Å; V360-A362 VanDerWaalsContact C-N 3.32Å; V360-A362 PolarHBondContact O-N 3.38Å; V360-N363 PolarHBondContact O-N 2.92Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 2.71Å; V360-D553 HydrophobicContact CG1-CB 4.3Å
361	T	94.2	Very high	91.7	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-43.4	174.8	-56.4	0	0	0	0	111.4	P357 P358 T364 V365 C552	P357-T361 PolarHBondContact O-N 3.23Å; P358-T361 PolarHBondContact O-N 2.79Å; T361-T364 PolarHBondContact O-N 2.68Å; T361-V365 WeakPolarHBondContact O-CG2 3.34Å; T361-V365 PolarHBondContact O-N 3.16Å; T361-C552 HydrophobicContact CG2-CB 4.46Å
362	A	96	Very high	92.1	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-45.6	176.9	0	0	0	0	0	112.1	P358 L359 V360 T364 V365 L366 T398 F452	P358-A362 WeakPolarHBondContact O-CB 3.18Å; P358-A362 PolarHBondContact O-N 2.95Å; L359-A362 PolarHBondContact O-N 2.78Å; V360-A362 VanDerWaalsContact C-N 3.32Å; V360-A362 PolarHBondContact O-N 3.38Å; A362-T364 VanDerWaalsContact C-N 3.33Å; A362-T364 PolarHBondContact O-N 3.26Å; A362-V365 PolarHBondContact O-N 3.01Å; A362-L366 WeakPolarHBondContact O-CB 3.37Å; A362-L366 VanDerWaalsContact O-CG 3.23Å; A362-L366 WeakPolarHBondContact O-CG 3.38Å; A362-L366 PolarHBondContact O-N 2.93Å; A362-T398 HydrophobicContact CB-CG2 4.03Å; A362-T398 VanDerWaalsContact CB-OG1 3.23Å; A362-T398 WeakPolarHBondContact CB-OG1 3.43Å; A362-F452 HydrophobicContact CB-CZ 4.01Å
363	N	95.8	Very high	92.6	Very high	3 Å²	3	20 Å²	20	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-41.2	176.4	-88.6	-81.7	0	0	0	112.6	L359 V360 L366 S367 A418 P419 E420 Y449	L359-N363 WeakPolarHBondContact O-CB 3.46Å; L359-N363 PolarHBondContact O-N 2.81Å; L359-N363 PolarHBondContact O-ND2 2.99Å; V360-N363 PolarHBondContact O-N 2.92Å; N363-L366 PolarHBondContact O-N 2.73Å; N363-S367 WeakPolarHBondContact O-CB 3.45Å; N363-S367 PolarHBondContact O-N 3.03Å; N363-A418 HydrophobicContact CB-CB 4.38Å; N363-P419 WeakPolarHBondContact OD1-CD 3Å; N363-P419 VanDerWaalsContact OD1-CG 3.3Å; N363-P419 WeakPolarHBondContact OD1-CG 3.27Å; N363-E420 VanDerWaalsContact OD1-CB 3.3Å; N363-E420 WeakPolarHBondContact OD1-CB 3.28Å; N363-E420 PolarHBondContact OD1-N 3.16Å; N363-Y449 PolarHBondContact ND2-OH 3.11Å
364	T	95.9	Very high	92.9	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-47.8	174.3	-65.9	0	0	0	0	111.2	V348 V360 T361 A362 L366 S367 I368 C552 H554	V348-T364 HydrophobicContact CG1-CG2 4.39Å; V348-T364 HydrophobicContact CG2-CG2 4.21Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 2.71Å; T361-T364 PolarHBondContact O-N 2.68Å; A362-T364 VanDerWaalsContact C-N 3.33Å; A362-T364 PolarHBondContact O-N 3.26Å; T364-L366 PolarHBondContact O-N 2.97Å; T364-S367 PolarHBondContact O-N 3.1Å; T364-S367 PolarHBondContact O-OG 2.78Å; T364-I368 HydrophobicContact CG2-CD1 4.11Å; T364-I368 WeakPolarHBondContact O-CG1 3.32Å; T364-I368 PolarHBondContact O-N 2.78Å; T364-I368 VanDerWaalsContact O-N 3.1Å; T364-C552 WeakPolarHBondContact CB-O 3.29Å; T364-C552 PolarHBondContact OG1-O 3.38Å; T364-H554 WeakPolarHBondContact CG2-O 3.44Å
365	V	97	Very high	93.4	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-44.6	177.1	171.9	0	0	0	0	111.7	T361 A362 S367 I368 L369 V382 T398 L511	T361-V365 WeakPolarHBondContact O-CG2 3.34Å; T361-V365 PolarHBondContact O-N 3.16Å; A362-V365 PolarHBondContact O-N 3.01Å; V365-S367 VanDerWaalsContact C-N 3.31Å; V365-S367 PolarHBondContact O-N 3.01Å; V365-I368 WeakPolarHBondContact O-CB 3.32Å; V365-I368 PolarHBondContact O-N 2.75Å; V365-I368 VanDerWaalsContact O-N 3.11Å; V365-L369 HydrophobicContact CG1-CD1 3.91Å; V365-L369 HydrophobicContact CG1-CG 4.3Å; V365-L369 WeakPolarHBondContact O-CG 3.32Å; V365-L369 PolarHBondContact O-N 2.85Å; V365-V382 HydrophobicContact CG2-CG2 3.7Å; V365-T398 HydrophobicContact CB-CG2 4.41Å; V365-T398 HydrophobicContact CG1-CG2 4.21Å; V365-L511 HydrophobicContact CG1-CD1 3.77Å; V365-L511 HydrophobicContact CG1-CD2 4Å
366	L	97.3	Very high	93.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-39.9	176.9	-70.7	164.5	0	0	0	112	A362 N363 T364 I368 L369 A370 T398 F401 A402 P419 F452	A362-L366 WeakPolarHBondContact O-CB 3.37Å; A362-L366 VanDerWaalsContact O-CG 3.23Å; A362-L366 WeakPolarHBondContact O-CG 3.38Å; A362-L366 PolarHBondContact O-N 2.93Å; N363-L366 PolarHBondContact O-N 2.73Å; T364-L366 PolarHBondContact O-N 2.97Å; L366-I368 VanDerWaalsContact C-N 3.27Å; L366-I368 PolarHBondContact O-N 2.76Å; L366-L369 PolarHBondContact O-N 2.76Å; L366-A370 WeakPolarHBondContact O-CB 3.08Å; L366-A370 PolarHBondContact O-N 3.21Å; L366-A370 VanDerWaalsContact O-N 3.13Å; L366-T398 HydrophobicContact CD1-CG2 4.16Å; L366-T398 HydrophobicContact CD2-CG2 3.9Å; L366-T398 HydrophobicContact CG-CG2 3.69Å; L366-F401 HydrophobicContact CD1-CD1 3.63Å; L366-F401 HydrophobicContact CD1-CE1 3.91Å; L366-F401 HydrophobicContact CD2-CD1 3.78Å; L366-F401 HydrophobicContact CD2-CE1 4.39Å; L366-F401 HydrophobicContact CG-CD1 4.38Å; L366-A402 HydrophobicContact CD2-CB 3.76Å; L366-P419 HydrophobicContact CD1-CG 3.79Å; L366-F452 HydrophobicContact CD1-CE1 4.33Å
367	S	96.8	Very high	94.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-33.5	176	81.3	0	0	0	0	112.7	N363 T364 V365 I556	N363-S367 WeakPolarHBondContact O-CB 3.45Å; N363-S367 PolarHBondContact O-N 3.03Å; T364-S367 PolarHBondContact O-N 3.1Å; T364-S367 PolarHBondContact O-OG 2.78Å; V365-S367 VanDerWaalsContact C-N 3.31Å; V365-S367 PolarHBondContact O-N 3.01Å; S367-I556 PolarHBondContact OG-N 2.96Å
368	I	97.1	Very high	94.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-72.2	-45.6	176.6	-70.8	165.9	0	0	0	111.2	L346 V348 T364 V365 L366 A370 V371 C380 L550 I556	L346-I368 HydrophobicContact CB-CD1 4.47Å; L346-I368 HydrophobicContact CB-CG2 3.89Å; L346-I368 HydrophobicContact CD1-CG2 4.07Å; L346-I368 HydrophobicContact CD2-CB 4.36Å; L346-I368 HydrophobicContact CD2-CG1 3.98Å; L346-I368 HydrophobicContact CD2-CG2 3.75Å; L346-I368 HydrophobicContact CG-CG2 4.11Å; V348-I368 HydrophobicContact CG2-CD1 3.32Å; T364-I368 HydrophobicContact CG2-CD1 4.11Å; T364-I368 WeakPolarHBondContact O-CG1 3.32Å; T364-I368 PolarHBondContact O-N 2.78Å; T364-I368 VanDerWaalsContact O-N 3.1Å; V365-I368 WeakPolarHBondContact O-CB 3.32Å; V365-I368 PolarHBondContact O-N 2.75Å; V365-I368 VanDerWaalsContact O-N 3.11Å; L366-I368 VanDerWaalsContact C-N 3.27Å; L366-I368 PolarHBondContact O-N 2.76Å; I368-A370 PolarHBondContact O-N 2.85Å; I368-V371 VanDerWaalsContact O-CG1 3.31Å; I368-V371 WeakPolarHBondContact O-CG1 3.35Å; I368-V371 VanDerWaalsContact O-CG2 3.26Å; I368-V371 WeakPolarHBondContact O-CG2 3.3Å; I368-V371 PolarHBondContact O-N 3.26Å; I368-C380 HydrophobicContact CG2-CB 3.78Å; I368-L550 HydrophobicContact CD1-CD1 3.88Å; I368-L550 HydrophobicContact CG1-CD1 4.01Å; I368-I556 HydrophobicContact CG1-CD1 3.92Å; I368-I556 HydrophobicContact CG1-CG1 4.25Å
369	L	96.2	Very high	95	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-23.4	-179.5	-65	174	0	0	0	112.5	V365 L366 C380 A402 V406 L495 P509 L511	V365-L369 HydrophobicContact CG1-CD1 3.91Å; V365-L369 HydrophobicContact CG1-CG 4.3Å; V365-L369 WeakPolarHBondContact O-CG 3.32Å; V365-L369 PolarHBondContact O-N 2.85Å; L366-L369 PolarHBondContact O-N 2.76Å; L369-C380 HydrophobicContact CD2-CB 4.08Å; L369-A402 HydrophobicContact CD1-CB 3.81Å; L369-V406 HydrophobicContact CB-CG2 4.02Å; L369-L495 HydrophobicContact CD1-CD1 3.89Å; L369-P509 HydrophobicContact CD2-CB 3.93Å; L369-L511 HydrophobicContact CD2-CB 4.49Å
370	A	96.4	Very high	95.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	17	-179.3	0	0	0	0	0	114.8	L366 I368 V406 C409 R417	L366-A370 WeakPolarHBondContact O-CB 3.08Å; L366-A370 PolarHBondContact O-N 3.21Å; L366-A370 VanDerWaalsContact O-N 3.13Å; I368-A370 PolarHBondContact O-N 2.85Å; A370-V406 HydrophobicContact CB-CG2 4.28Å; A370-C409 HydrophobicContact CB-CB 3.97Å; A370-R417 HydrophobicContact CB-CB 4.25Å
371	V	96	Very high	95.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.079	C	C	.	.			trans	-65.7	152.7	176.5	-66.5	0	0	0	0	112.9	I368 Y373 V378 K410 I556 I562	I368-V371 VanDerWaalsContact O-CG1 3.31Å; I368-V371 WeakPolarHBondContact O-CG1 3.35Å; I368-V371 VanDerWaalsContact O-CG2 3.26Å; I368-V371 WeakPolarHBondContact O-CG2 3.3Å; I368-V371 PolarHBondContact O-N 3.26Å; V371-Y373 PolarHBondContact O-N 3.46Å; V371-Y373 VanDerWaalsContact O-N 3.14Å; V371-V378 HydrophobicContact CG2-CG1 4.11Å; V371-V378 HydrophobicContact CG2-CG2 4.02Å; V371-K410 WeakPolarHBondContact O-CE 3.32Å; V371-I556 HydrophobicContact CG1-CD1 3.43Å; V371-I556 VanDerWaalsContact CG1-CD1 3.43Å; V371-I556 HydrophobicContact CG1-CG2 4.29Å; V371-I562 HydrophobicContact CB-CD1 4.12Å; V371-I562 HydrophobicContact CG1-CD1 4.05Å; V371-I562 HydrophobicContact CG2-CD1 3.9Å
372	D	95.1	Very high	95.6	Very high	59 Å²	59	14.4 Å²	14.4	32%	0.316	8%	0.078	S	C	.	.	S	Bend	trans	-84.1	83.1	173	176.7	8.1	0	0	0	109.2	S559 R563	D372-S559 PolarHBondContact N-O 3.44Å; D372-R563 WeakPolarHBondContact O-CD 3.48Å; D372-R563 WeakPolarHBondContact O-CG 3.48Å; D372-R563 PolarHBondContact O-NE 3.46Å; D372-R563 IonicContact OD1-CZ 3.85Å; D372-R563 IonicContact OD1-NE 3.83Å; D372-R563 PolarHBondContact OD1-NE 2.97Å; D372-R563 VanDerWaalsContact OD1-NE 3.15Å; D372-R563 IonicContact OD1-NH2 3.65Å; D372-R563 PolarHBondContact OD1-NH2 3.45Å; D372-R563 IonicContact OD2-NE 2.65Å
373	Y	95.2	Very high	95.6	Very high	7 Å²	7	14.4 Å²	14.4	3%	0.027	8%	0.078	C	C	.	.	S	Bend	trans	-156.5	156.5	175.2	-149.1	-108.3	0	0	0	109.3	L341 S342 V344 V371 V375 K377 V378 I562 R563 M566	L341-Y373 HydrophobicContact CB-CE1 4.41Å; L341-Y373 HydrophobicContact CD1-CD2 4.31Å; L341-Y373 HydrophobicContact CD1-CE2 3.77Å; L341-Y373 HydrophobicContact CD2-CE2 4.48Å; S342-Y373 WeakPolarHBondContact O-CE1 3.31Å; S342-Y373 PolarHBondContact O-OH 2.93Å; V344-Y373 HydrophobicContact CG2-CE1 4.16Å; V371-Y373 PolarHBondContact O-N 3.46Å; V371-Y373 VanDerWaalsContact O-N 3.14Å; Y373-V375 PolarHBondContact O-N 3.22Å; Y373-K377 HydrophobicContact CD1-CB 3.85Å; Y373-K377 HydrophobicContact CE1-CB 3.65Å; Y373-K377 HydrophobicContact CE1-CG 4.5Å; Y373-V378 HydrophobicContact CD1-CG2 3.49Å; Y373-V378 VanDerWaalsContact CD1-CG2 3.49Å; Y373-V378 HydrophobicContact CG-CG2 3.96Å; Y373-I562 HydrophobicContact CD2-CB 4.33Å; Y373-I562 HydrophobicContact CD2-CG2 3.85Å; Y373-I562 HydrophobicContact CE1-CG2 4.49Å; Y373-I562 HydrophobicContact CE2-CG2 3.8Å; Y373-I562 HydrophobicContact CG-CG2 4.22Å; Y373-R563 HydrophobicContact CD2-CG 3.82Å; Y373-R563 HydrophobicContact CE2-CG 4.21Å; Y373-M566 HydrophobicContact CE2-CG 4.07Å; Y373-M566 WeakPolarHBondContact OH-CG 3.42Å
374	P	93.6	Very high	95.5	Very high	22 Å²	22	14.2 Å²	14.2	14%	0.143	8%	0.077	C	C	.	.			trans	-57.4	134.8	177.1	-25.8	34.8	0	0	0	112.5	L341 D376 K377 V378	L341-P374 HydrophobicContact CD1-CG 4.1Å; P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 VanDerWaalsContact CB-OD1 3.28Å; P374-D376 WeakPolarHBondContact CB-OD1 3.41Å; P374-D376 PolarHBondContact O-N 3.39Å; P374-K377 HydrophobicContact CB-CB 4.3Å; P374-K377 HydrophobicContact CB-CG 3.92Å; P374-K377 HydrophobicContact CG-CG 4.43Å; P374-K377 PolarHBondContact O-N 3.28Å; P374-K377 VanDerWaalsContact O-N 3.08Å; P374-V378 PolarHBondContact O-N 3.01Å
375	V	92.3	Very high	95.2	Very high	46 Å²	46	15 Å²	15	28%	0.279	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	-66	-30.6	-171.9	-64.8	0	0	0	0	113	Y373 K377 E507 P509	Y373-V375 PolarHBondContact O-N 3.22Å; V375-K377 PolarHBondContact O-N 2.85Å; V375-E507 HydrophobicContact CG2-CB 4.44Å; V375-P509 HydrophobicContact CG1-CG 4.45Å
376	D	90	Very high	94.8	Very high	99 Å²	99	15.6 Å²	15.6	53%	0.529	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-73.5	-14.7	176.3	68.7	-56	0	0	0	113.1	P374	P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 VanDerWaalsContact CB-OD1 3.28Å; P374-D376 WeakPolarHBondContact CB-OD1 3.41Å; P374-D376 PolarHBondContact O-N 3.39Å
377	K	93.8	Very high	94.6	Very high	51 Å²	51	15.6 Å²	15.6	22%	0.222	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-103.4	-11.9	-177.6	-57.7	-55.5	-175.8	-158.5	0	113.5	L341 S343 V344 Y373 P374 V375	L341-K377 WeakPolarHBondContact O-CD 3.43Å; L341-K377 VanDerWaalsContact O-CE 3.31Å; L341-K377 WeakPolarHBondContact O-CE 3.48Å; S343-K377 CarbonylContact C-O 3.59Å; S343-K377 VanDerWaalsContact CA-O 3.25Å; S343-K377 WeakPolarHBondContact CA-O 3.34Å; V344-K377 PolarHBondContact N-O 3.45Å; Y373-K377 HydrophobicContact CD1-CB 3.85Å; Y373-K377 HydrophobicContact CE1-CB 3.65Å; Y373-K377 HydrophobicContact CE1-CG 4.5Å; P374-K377 HydrophobicContact CB-CB 4.3Å; P374-K377 HydrophobicContact CB-CG 3.92Å; P374-K377 HydrophobicContact CG-CG 4.43Å; P374-K377 PolarHBondContact O-N 3.28Å; P374-K377 VanDerWaalsContact O-N 3.08Å; V375-K377 PolarHBondContact O-N 2.85Å
378	V	95.1	Very high	94.3	Very high	1 Å²	1	17 Å²	17	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.5	-179.2	-179.8	0	0	0	0	110.5	L346 V371 Y373 P374 P509	L346-V378 HydrophobicContact CD1-CG1 3.49Å; L346-V378 VanDerWaalsContact CD1-CG1 3.49Å; V371-V378 HydrophobicContact CG2-CG1 4.11Å; V371-V378 HydrophobicContact CG2-CG2 4.02Å; Y373-V378 HydrophobicContact CD1-CG2 3.49Å; Y373-V378 VanDerWaalsContact CD1-CG2 3.49Å; Y373-V378 HydrophobicContact CG-CG2 3.96Å; P374-V378 PolarHBondContact O-N 3.01Å; V378-P509 HydrophobicContact CB-CB 4.15Å; V378-P509 HydrophobicContact CB-CG 4.32Å; V378-P509 HydrophobicContact CG1-CB 4.07Å; V378-P509 HydrophobicContact CG1-CG 4.39Å
379	S	95.9	Very high	94.1	Very high	9 Å²	9	17.4 Å²	17.4	6%	0.063	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.7	172.2	-63.8	0	0	0	0	110	V344 D345 L346 R510 T542	V344-S379 PolarHBondContact O-N 2.82Å; D345-S379 CarbonylContact C-O 3.34Å; D345-S379 WeakPolarHBondContact CA-O 3.46Å; D345-S379 WeakPolarHBondContact OD1-CB 3.41Å; L346-S379 PolarHBondContact N-O 3.05Å; S379-R510 WeakPolarHBondContact OG-CD 3.4Å; S379-R510 WeakPolarHBondContact OG-CG 3.5Å; S379-T542 WeakPolarHBondContact OG-CG2 3.12Å
380	C	97.3	Very high	94	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	177.9	-173.4	0	0	0	0	109.7	L346 I368 L369 R510 L511 V512	L346-C380 CarbonylContact O-C 3.37Å; I368-C380 HydrophobicContact CG2-CB 3.78Å; L369-C380 HydrophobicContact CD2-CB 4.08Å; C380-R510 PolarHBondContact N-O 2.84Å; C380-L511 HydrophobicContact CB-CD1 3.82Å; C380-L511 CarbonylContact O-C 3.54Å; C380-L511 WeakPolarHBondContact O-CA 3.28Å; C380-V512 PolarHBondContact O-N 2.88Å
381	Y	97.8	Very high	93.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.4	174.9	-68.9	-105.9	0	0	0	109.4	D345 L346 F347 V348 V512 V514 L534 V537 L541 T542	D345-Y381 HydrophobicContact CB-CD2 4.17Å; D345-Y381 HydrophobicContact CB-CE2 4.07Å; L346-Y381 PolarHBondContact O-N 3.26Å; F347-Y381 WeakPolarHBondContact CA-O 3.44Å; F347-Y381 HydrophobicContact CD1-CD2 4.21Å; F347-Y381 HydrophobicContact CD1-CG 4.2Å; F347-Y381 AromaticContact CE1-CD2 3.95Å; F347-Y381 HydrophobicContact CE1-CD2 3.95Å; F347-Y381 HydrophobicContact CE1-CG 4.07Å; V348-Y381 PolarHBondContact N-O 3.34Å; Y381-V512 CarbonylContact C-O 3.53Å; Y381-V512 VanDerWaalsContact CA-O 3.32Å; Y381-V512 WeakPolarHBondContact CA-O 3.34Å; Y381-V512 HydrophobicContact CD1-CB 3.62Å; Y381-V512 HydrophobicContact CD1-CG1 3.91Å; Y381-V512 HydrophobicContact CD1-CG2 4.15Å; Y381-V512 HydrophobicContact CE1-CB 3.72Å; Y381-V512 HydrophobicContact CE1-CG1 3.86Å; Y381-V512 HydrophobicContact CE1-CG2 3.78Å; Y381-V512 HydrophobicContact CE2-CG2 4.48Å; Y381-V512 HydrophobicContact CG-CB 4.17Å; Y381-V514 HydrophobicContact CD1-CG2 4.34Å; Y381-L534 HydrophobicContact CD1-CD2 4.42Å; Y381-V537 HydrophobicContact CD1-CG1 4.26Å; Y381-V537 HydrophobicContact CE1-CG1 4.32Å; Y381-L541 HydrophobicContact CE1-CD1 4.1Å; Y381-L541 WeakPolarHBondContact OH-CB 3.38Å; Y381-T542 HydrophobicContact CE2-CG2 4.5Å; Y381-T542 VanDerWaalsContact OH-CG2 3.22Å; Y381-T542 WeakPolarHBondContact OH-CG2 3.5Å; Y381-T542 PolarHBondContact OH-OG1 2.89Å; Y381-T542 VanDerWaalsContact OH-OG1 3.12Å
382	V	97.1	Very high	93.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.7	177.4	-176.1	0	0	0	0	108.7	V348 V365 L395 L511 V512 V514	V348-V382 HydrophobicContact CB-CG2 4.3Å; V348-V382 CarbonylContact O-C 3.3Å; V348-V382 WeakPolarHBondContact O-CA 3.49Å; V365-V382 HydrophobicContact CG2-CG2 3.7Å; V382-L395 HydrophobicContact CB-CD2 3.81Å; V382-L395 HydrophobicContact CG1-CD1 4.35Å; V382-L395 HydrophobicContact CG1-CD2 4.02Å; V382-L395 HydrophobicContact CG2-CD2 3.9Å; V382-L511 HydrophobicContact CG2-CD1 3.79Å; V382-V512 PolarHBondContact N-O 3.28Å; V382-V514 PolarHBondContact O-N 2.74Å
383	S	95.7	Very high	93.7	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.2	173.8	179.6	0	0	0	0	110.2	V348 T350 V514	V348-S383 PolarHBondContact O-N 3.29Å; T350-S383 PolarHBondContact N-O 3.13Å; S383-V514 CarbonylContact C-O 3.49Å; S383-V514 VanDerWaalsContact CA-O 3.28Å; S383-V514 WeakPolarHBondContact CA-O 3.06Å
384	D	94.2	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	101.7	174.4	177.5	14	0	0	0	110.3	T350 G386 A387 S388 T391 Y513 V514 S515	T350-D384 HydrophobicContact CG2-CB 4.25Å; D384-G386 VanDerWaalsContact C-N 3.25Å; D384-G386 PolarHBondContact O-N 3.4Å; D384-G386 WeakPolarHBondContact OD1-CA 3.35Å; D384-G386 PolarHBondContact OD1-N 3.4Å; D384-A387 PolarHBondContact OD1-N 3.25Å; D384-A387 VanDerWaalsContact OD1-N 3.16Å; D384-A387 WeakPolarHBondContact OD2-CA 3.42Å; D384-A387 PolarHBondContact OD2-N 2.94Å; D384-S388 PolarHBondContact OD2-N 3.4Å; D384-T391 HydrophobicContact CB-CG2 4.19Å; D384-Y513 HydrophobicContact CB-CD2 4.41Å; D384-Y513 HydrophobicContact CB-CE2 3.45Å; D384-Y513 VanDerWaalsContact CB-CE2 3.45Å; D384-Y513 PolarHBondContact OD2-OH 3.11Å; D384-V514 PolarHBondContact N-O 3.03Å; D384-S515 PolarHBondContact O-OG 3.29Å
385	D	90	Very high	93.8	Very high	18 Å²	18	16.3 Å²	16.3	10%	0.096	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.4	178.5	-120.5	49.3	0	0	0	112	T350 R516 K518 H524	T350-D385 PolarHBondContact O-N 3.1Å; D385-R516 IonicContact OD1-CZ 2.85Å; D385-R516 IonicContact OD1-NE 2.88Å; D385-R516 PolarHBondContact OD1-NE 3.33Å; D385-R516 IonicContact OD1-NH2 3.34Å; D385-R516 PolarHBondContact OD1-NH2 2.73Å; D385-R516 IonicContact OD2-NH2 2.75Å; D385-R516 PolarHBondContact OD2-NH2 3.21Å; D385-K518 VanDerWaalsContact CG-NZ 3.33Å; D385-K518 PolarHBondContact O-NZ 3.02Å; D385-K518 IonicContact OD1-NZ 3.21Å; D385-K518 IonicContact OD2-NZ 2.92Å; D385-K518 PolarHBondContact OD2-NZ 2.78Å; D385-H524 IonicContact OD2-ND1 2.67Å
386	G	87.5	Confident	93.9	Very high	13 Å²	13	15.6 Å²	15.6	13%	0.134	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.2	176.4	0	0	0	0	0	113.9	V351 D384 S388 T484	V351-G386 VanDerWaalsContact O-CA 3.27Å; V351-G386 WeakPolarHBondContact O-CA 3.38Å; V351-G386 PolarHBondContact O-N 3.2Å; V351-G386 VanDerWaalsContact O-N 3.15Å; D384-G386 VanDerWaalsContact C-N 3.25Å; D384-G386 PolarHBondContact O-N 3.4Å; D384-G386 WeakPolarHBondContact OD1-CA 3.35Å; D384-G386 PolarHBondContact OD1-N 3.4Å; G386-S388 PolarHBondContact O-N 3.4Å; G386-T484 WeakPolarHBondContact O-CG2 3.18Å
387	A	92.7	Very high	94.1	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.073	C	C	.	.			trans	50.2	38.7	-174.1	0	0	0	0	0	112.5	D384 W479 M490 S515	D384-A387 PolarHBondContact OD1-N 3.25Å; D384-A387 VanDerWaalsContact OD1-N 3.16Å; D384-A387 WeakPolarHBondContact OD2-CA 3.42Å; D384-A387 PolarHBondContact OD2-N 2.94Å; A387-W479 PolarHBondContact O-NE1 2.83Å; A387-M490 HydrophobicContact CB-CE 3.86Å; A387-S515 WeakPolarHBondContact CB-OG 3.46Å
388	S	92	Very high	94.2	Very high	30 Å²	30	10.6 Å²	10.6	21%	0.21	6%	0.063	C	C	.	.			trans	-88.9	132.5	-171.1	-178.5	0	0	0	0	111.3	D384 G386 L390 T391 F392	D384-S388 PolarHBondContact OD2-N 3.4Å; G386-S388 PolarHBondContact O-N 3.4Å; S388-L390 PolarHBondContact O-N 3.29Å; S388-L390 PolarHBondContact OG-N 3.45Å; S388-T391 PolarHBondContact O-N 3.4Å; S388-F392 PolarHBondContact O-N 3.43Å
389	M	92.7	Very high	94.2	Very high	8 Å²	8	11 Å²	11	4%	0.039	7%	0.066	C	C	.	.	H	α-helix	trans	-58.6	-32.9	173.3	-167.4	-168	-171.9	0	0	111.6	T391 F392 E393 W471 I472 W479	M389-T391 PolarHBondContact O-N 2.84Å; M389-F392 PolarHBondContact O-N 3.01Å; M389-E393 HydrophobicContact CE-CG 4.23Å; M389-E393 VanDerWaalsContact CE-OE1 3.28Å; M389-E393 WeakPolarHBondContact CE-OE1 3.41Å; M389-E393 HydrophobicContact CG-CG 4.22Å; M389-E393 PolarHBondContact O-N 3.32Å; M389-W471 HydrophobicContact CB-CB 4.29Å; M389-W471 HydrophobicContact CB-CD2 4.45Å; M389-W471 HydrophobicContact CB-CG 4.12Å; M389-W471 HydrophobicContact CG-CB 4.48Å; M389-W471 HydrophobicContact SD-CB 3.61Å; M389-W471 HydrophobicContact SD-CD2 4Å; M389-W471 HydrophobicContact SD-CE3 3.77Å; M389-W471 HydrophobicContact SD-CG 3.96Å; M389-I472 WeakPolarHBondContact CE-O 3.36Å; M389-W479 HydrophobicContact CB-CD2 4.2Å; M389-W479 HydrophobicContact CB-CG 4.29Å; M389-W479 HydrophobicContact CG-CD2 4.38Å; M389-W479 HydrophobicContact CG-CE3 4.49Å
390	L	93.9	Very high	94	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-46.1	177.5	172.9	58.4	0	0	0	111.6	P353 P358 S388 F392 A394 L459 V460 A463	P353-L390 HydrophobicContact CB-CD2 3.69Å; P353-L390 HydrophobicContact CB-CG 4.11Å; P353-L390 HydrophobicContact CG-CB 4.26Å; P353-L390 HydrophobicContact CG-CD2 3.93Å; P353-L390 HydrophobicContact CG-CG 4.32Å; P358-L390 HydrophobicContact CG-CD1 4.12Å; P358-L390 HydrophobicContact CG-CD2 3.78Å; P358-L390 HydrophobicContact CG-CG 3.74Å; S388-L390 PolarHBondContact O-N 3.29Å; S388-L390 PolarHBondContact OG-N 3.45Å; L390-F392 VanDerWaalsContact C-N 3.33Å; L390-A394 WeakPolarHBondContact O-CB 3.39Å; L390-A394 PolarHBondContact O-N 2.89Å; L390-L459 HydrophobicContact CD1-CB 3.91Å; L390-V460 HydrophobicContact CD1-CG2 4.12Å; L390-V460 HydrophobicContact CD2-CG2 4.37Å; L390-A463 HydrophobicContact CB-CB 3.84Å; L390-A463 HydrophobicContact CD1-CB 4Å; L390-A463 HydrophobicContact CD2-CB 3.68Å; L390-A463 HydrophobicContact CG-CB 4.04Å
391	T	93.7	Very high	94	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-44.4	177.9	-54.5	0	0	0	0	110.2	T350 D384 S388 M389 A394 L395 Y513	T350-T391 HydrophobicContact CG2-CG2 3.97Å; D384-T391 HydrophobicContact CB-CG2 4.19Å; S388-T391 PolarHBondContact O-N 3.4Å; M389-T391 PolarHBondContact O-N 2.84Å; T391-A394 PolarHBondContact O-N 3.08Å; T391-L395 HydrophobicContact CG2-CD1 3.8Å; T391-L395 WeakPolarHBondContact O-CD1 3.38Å; T391-L395 PolarHBondContact O-N 3.16Å; T391-Y513 HydrophobicContact CG2-CE2 4.42Å
392	F	94.2	Very high	93.9	Very high	24 Å²	24	14.2 Å²	14.2	11%	0.105	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-50.1	177.9	178.1	-96.9	0	0	0	113.1	L7 S388 M389 L390 A394 L395 S396 M473 W479 Q492 F494 Y513	L7-F392 HydrophobicContact CD1-CE2 3.99Å; S388-F392 PolarHBondContact O-N 3.43Å; M389-F392 PolarHBondContact O-N 3.01Å; L390-F392 VanDerWaalsContact C-N 3.33Å; F392-A394 VanDerWaalsContact C-N 3.34Å; F392-A394 PolarHBondContact O-N 3.36Å; F392-L395 PolarHBondContact O-N 3.21Å; F392-S396 PolarHBondContact O-N 2.95Å; F392-M473 HydrophobicContact CE1-CE 4.06Å; F392-M473 HydrophobicContact CZ-CE 4.26Å; F392-W479 HydrophobicContact CB-CH2 3.69Å; F392-W479 HydrophobicContact CB-CZ2 4.34Å; F392-W479 HydrophobicContact CB-CZ3 4.26Å; F392-W479 HydrophobicContact CD1-CH2 4.25Å; F392-W479 AromaticContact CD1-CZ3 3.98Å; F392-W479 HydrophobicContact CD1-CZ3 3.98Å; F392-W479 HydrophobicContact CD2-CH2 4.06Å; F392-W479 HydrophobicContact CD2-CZ3 4.34Å; F392-W479 HydrophobicContact CE1-CZ3 4.43Å; F392-W479 AromaticContact CG-CH2 3.74Å; F392-W479 HydrophobicContact CG-CH2 3.74Å; F392-W479 AromaticContact CG-CZ3 3.93Å; F392-W479 HydrophobicContact CG-CZ3 3.93Å; F392-Q492 HydrophobicContact CE2-CB 4.02Å; F392-Q492 HydrophobicContact CE2-CG 4.01Å; F392-F494 HydrophobicContact CD2-CZ 4.18Å; F392-F494 HydrophobicContact CE2-CE2 4.34Å; F392-F494 AromaticContact CE2-CZ 3.66Å; F392-F494 HydrophobicContact CE2-CZ 3.66Å; F392-F494 HydrophobicContact CZ-CZ 4.09Å; F392-Y513 HydrophobicContact CD2-CD1 4.05Å; F392-Y513 HydrophobicContact CD2-CE1 4.09Å; F392-Y513 HydrophobicContact CD2-CG 4.35Å
393	E	93.9	Very high	93.7	Very high	22 Å²	22	17.8 Å²	17.8	10%	0.103	9%	0.093	C	C	.	.	H	α-helix	trans	-62.6	-40.7	177.4	-71.4	-168.8	145.3	0	0	111.1	M389 L395 S396 E397 L459 K462	M389-E393 HydrophobicContact CE-CG 4.23Å; M389-E393 VanDerWaalsContact CE-OE1 3.28Å; M389-E393 WeakPolarHBondContact CE-OE1 3.41Å; M389-E393 HydrophobicContact CG-CG 4.22Å; M389-E393 PolarHBondContact O-N 3.32Å; E393-L395 PolarHBondContact O-N 3.12Å; E393-S396 WeakPolarHBondContact O-CB 3.22Å; E393-S396 PolarHBondContact O-N 2.98Å; E393-E397 PolarHBondContact O-N 3.32Å; E393-L459 HydrophobicContact CB-CD1 3.91Å; E393-L459 HydrophobicContact CB-CD2 4.34Å; E393-L459 WeakPolarHBondContact OE2-CD2 3.36Å; E393-K462 IonicContact OE1-NZ 2.54Å; E393-K462 PolarHBondContact OE1-NZ 3.25Å; E393-K462 IonicContact OE2-NZ 2.67Å; E393-K462 PolarHBondContact OE2-NZ 3.24Å
394	A	95.2	Very high	93.7	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-40	176.5	0	0	0	0	0	112.4	P358 L390 T391 F392 E397 T398 I456	P358-A394 HydrophobicContact CB-CB 3.73Å; L390-A394 WeakPolarHBondContact O-CB 3.39Å; L390-A394 PolarHBondContact O-N 2.89Å; T391-A394 PolarHBondContact O-N 3.08Å; F392-A394 VanDerWaalsContact C-N 3.34Å; F392-A394 PolarHBondContact O-N 3.36Å; A394-E397 PolarHBondContact O-N 2.91Å; A394-T398 WeakPolarHBondContact O-CB 3.45Å; A394-T398 PolarHBondContact O-N 2.75Å; A394-T398 PolarHBondContact O-OG1 3.38Å; A394-I456 HydrophobicContact CB-CD1 3.96Å
395	L	95.1	Very high	93.8	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-65.8	-37.1	174.4	-95.5	83.6	0	0	0	112.3	V382 T391 F392 E393 T398 A399 F494 L511 Y513	V382-L395 HydrophobicContact CB-CD2 3.81Å; V382-L395 HydrophobicContact CG1-CD1 4.35Å; V382-L395 HydrophobicContact CG1-CD2 4.02Å; V382-L395 HydrophobicContact CG2-CD2 3.9Å; T391-L395 HydrophobicContact CG2-CD1 3.8Å; T391-L395 WeakPolarHBondContact O-CD1 3.38Å; T391-L395 PolarHBondContact O-N 3.16Å; F392-L395 PolarHBondContact O-N 3.21Å; E393-L395 PolarHBondContact O-N 3.12Å; L395-T398 WeakPolarHBondContact O-CB 3.3Å; L395-T398 PolarHBondContact O-N 3.19Å; L395-A399 WeakPolarHBondContact O-CB 3.43Å; L395-A399 PolarHBondContact O-N 3.11Å; L395-F494 HydrophobicContact CB-CE2 4.34Å; L395-L511 HydrophobicContact CD2-CD2 4.41Å; L395-Y513 HydrophobicContact CD2-CD2 4.08Å
396	S	93.5	Very high	94	Very high	31 Å²	31	20.7 Å²	20.7	22%	0.217	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-47.2	175.6	-171.3	0	0	0	0	111.4	F392 E393 T398 A399 E400	F392-S396 PolarHBondContact O-N 2.95Å; E393-S396 WeakPolarHBondContact O-CB 3.22Å; E393-S396 PolarHBondContact O-N 2.98Å; S396-T398 VanDerWaalsContact C-N 3.3Å; S396-T398 PolarHBondContact O-N 3.25Å; S396-A399 PolarHBondContact O-N 2.85Å; S396-E400 PolarHBondContact O-N 3.45Å
397	E	94.8	Very high	94.4	Very high	44 Å²	44	20.5 Å²	20.5	21%	0.206	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-36.7	174.4	-71.7	-65.3	143.3	0	0	111.9	E393 A394 A399 E400 F401 F452 R455 I456 L459	E393-E397 PolarHBondContact O-N 3.32Å; A394-E397 PolarHBondContact O-N 2.91Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 3.35Å; E397-E400 PolarHBondContact O-N 3.09Å; E397-F401 PolarHBondContact O-N 2.88Å; E397-F452 HydrophobicContact CB-CE2 4.16Å; E397-R455 WeakPolarHBondContact OE2-CD 3.29Å; E397-R455 IonicContact OE2-CZ 3.64Å; E397-R455 IonicContact OE2-NE 3.89Å; E397-R455 PolarHBondContact OE2-NE 3.07Å; E397-I456 HydrophobicContact CB-CD1 3.96Å; E397-L459 HydrophobicContact CG-CD1 3.93Å
398	T	96.3	Very high	94.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-38	176.8	-57.8	0	0	0	0	111.5	A362 V365 L366 A394 L395 S396 F401 A402	A362-T398 HydrophobicContact CB-CG2 4.03Å; A362-T398 VanDerWaalsContact CB-OG1 3.23Å; A362-T398 WeakPolarHBondContact CB-OG1 3.43Å; V365-T398 HydrophobicContact CB-CG2 4.41Å; V365-T398 HydrophobicContact CG1-CG2 4.21Å; L366-T398 HydrophobicContact CD1-CG2 4.16Å; L366-T398 HydrophobicContact CD2-CG2 3.9Å; L366-T398 HydrophobicContact CG-CG2 3.69Å; A394-T398 WeakPolarHBondContact O-CB 3.45Å; A394-T398 PolarHBondContact O-N 2.75Å; A394-T398 PolarHBondContact O-OG1 3.38Å; L395-T398 WeakPolarHBondContact O-CB 3.3Å; L395-T398 PolarHBondContact O-N 3.19Å; S396-T398 VanDerWaalsContact C-N 3.3Å; S396-T398 PolarHBondContact O-N 3.25Å; T398-F401 PolarHBondContact O-N 3.36Å; T398-A402 VanDerWaalsContact O-CB 3.3Å; T398-A402 WeakPolarHBondContact O-CB 3.19Å; T398-A402 PolarHBondContact O-N 3.1Å
399	A	94.3	Very high	94.6	Very high	8 Å²	8	19.5 Å²	19.5	7%	0.066	9%	0.093	C	C	.	.	H	α-helix	trans	-64	-41.4	176.5	0	0	0	0	0	111.6	L395 S396 E397 A402 R403 F494 L495	L395-A399 WeakPolarHBondContact O-CB 3.43Å; L395-A399 PolarHBondContact O-N 3.11Å; S396-A399 PolarHBondContact O-N 2.85Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 3.35Å; A399-A402 WeakPolarHBondContact O-CB 3.3Å; A399-A402 PolarHBondContact O-N 2.77Å; A399-R403 WeakPolarHBondContact O-CG 3.12Å; A399-R403 PolarHBondContact O-N 3.48Å; A399-F494 HydrophobicContact CB-CB 4.12Å; A399-F494 HydrophobicContact CB-CG 4.49Å; A399-L495 HydrophobicContact CB-CD1 4.36Å; A399-L495 HydrophobicContact CB-CD2 4.48Å; A399-L495 HydrophobicContact CB-CG 4.18Å
400	E	93.1	Very high	94.6	Very high	76 Å²	76	22.5 Å²	22.5	36%	0.355	11%	0.106	S	C	.	.	H	α-helix	trans	-66.8	-42.9	175.2	-73	-66.5	-178.3	0	0	112.3	S396 E397 A402 R403	S396-E400 PolarHBondContact O-N 3.45Å; E397-E400 PolarHBondContact O-N 3.09Å; E400-A402 VanDerWaalsContact C-N 3.33Å; E400-A402 PolarHBondContact O-N 2.67Å; E400-R403 WeakPolarHBondContact O-CB 3.43Å; E400-R403 PolarHBondContact O-N 2.85Å; E400-R403 IonicContact OE1-NH1 2.98Å; E400-R403 WeakPolarHBondContact OE2-CD 3.39Å; E400-R403 IonicContact OE2-CZ 3.48Å; E400-R403 IonicContact OE2-NH1 3.09Å; E400-R403 PolarHBondContact OE2-NH1 2.86Å
401	F	96	Very high	94.6	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-37	175.6	-177.8	-105.7	0	0	0	112.2	L366 E397 T398 R403 K404 W405 P419 M445 E448 Y449 F452	L366-F401 HydrophobicContact CD1-CD1 3.63Å; L366-F401 HydrophobicContact CD1-CE1 3.91Å; L366-F401 HydrophobicContact CD2-CD1 3.78Å; L366-F401 HydrophobicContact CD2-CE1 4.39Å; L366-F401 HydrophobicContact CG-CD1 4.38Å; E397-F401 PolarHBondContact O-N 2.88Å; T398-F401 PolarHBondContact O-N 3.36Å; F401-R403 PolarHBondContact O-N 3.44Å; F401-K404 PolarHBondContact O-N 3.38Å; F401-K404 VanDerWaalsContact O-N 3.07Å; F401-W405 HydrophobicContact CD1-CB 4.04Å; F401-W405 HydrophobicContact CE1-CB 3.62Å; F401-W405 HydrophobicContact CE1-CD2 4.15Å; F401-W405 HydrophobicContact CE1-CE3 4.46Å; F401-W405 AromaticContact CE1-CG 3.81Å; F401-W405 HydrophobicContact CE1-CG 3.81Å; F401-W405 HydrophobicContact CZ-CB 3.98Å; F401-W405 HydrophobicContact CZ-CD2 4.34Å; F401-W405 HydrophobicContact CZ-CE3 4.19Å; F401-W405 HydrophobicContact CZ-CG 4.3Å; F401-W405 WeakPolarHBondContact O-CB 3.45Å; F401-W405 PolarHBondContact O-N 3.48Å; F401-P419 HydrophobicContact CE1-CG 4.16Å; F401-M445 HydrophobicContact CE2-SD 4.31Å; F401-M445 HydrophobicContact CZ-SD 4.34Å; F401-E448 HydrophobicContact CE2-CB 4.27Å; F401-Y449 AromaticContact CE1-CD2 3.82Å; F401-Y449 HydrophobicContact CE1-CD2 3.82Å; F401-Y449 HydrophobicContact CE1-CE2 4.5Å; F401-Y449 HydrophobicContact CE2-CD2 4.33Å; F401-Y449 AromaticContact CZ-CD2 3.6Å; F401-Y449 HydrophobicContact CZ-CD2 3.6Å; F401-Y449 HydrophobicContact CZ-CG 4.21Å; F401-F452 HydrophobicContact CB-CD2 3.65Å; F401-F452 HydrophobicContact CB-CE2 3.98Å; F401-F452 HydrophobicContact CB-CG 4.04Å; F401-F452 HydrophobicContact CD1-CD1 4.21Å; F401-F452 HydrophobicContact CD1-CE1 4.43Å; F401-F452 HydrophobicContact CD1-CG 4.28Å; F401-F452 HydrophobicContact CD2-CB 3.85Å; F401-F452 HydrophobicContact CD2-CD2 4.5Å; F401-F452 HydrophobicContact CD2-CG 4.09Å; F401-F452 HydrophobicContact CE2-CB 4.32Å; F401-F452 HydrophobicContact CG-CB 4.14Å; F401-F452 HydrophobicContact CG-CD1 4.25Å; F401-F452 AromaticContact CG-CD2 4Å; F401-F452 HydrophobicContact CG-CD2 4Å; F401-F452 HydrophobicContact CG-CE2 4.5Å; F401-F452 AromaticContact CG-CG 3.85Å; F401-F452 HydrophobicContact CG-CG 3.85Å
402	A	95.6	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-36.7	175.7	0	0	0	0	0	112.7	L366 L369 T398 A399 E400 K404 W405 V406 L495 L508	L366-A402 HydrophobicContact CD2-CB 3.76Å; L369-A402 HydrophobicContact CD1-CB 3.81Å; T398-A402 VanDerWaalsContact O-CB 3.3Å; T398-A402 WeakPolarHBondContact O-CB 3.19Å; T398-A402 PolarHBondContact O-N 3.1Å; A399-A402 WeakPolarHBondContact O-CB 3.3Å; A399-A402 PolarHBondContact O-N 2.77Å; E400-A402 VanDerWaalsContact C-N 3.33Å; E400-A402 PolarHBondContact O-N 2.67Å; A402-K404 PolarHBondContact O-N 3.11Å; A402-W405 PolarHBondContact O-N 2.9Å; A402-V406 HydrophobicContact CB-CG2 4.29Å; A402-V406 VanDerWaalsContact O-CB 3.28Å; A402-V406 WeakPolarHBondContact O-CB 3.38Å; A402-V406 VanDerWaalsContact O-CG2 3.25Å; A402-V406 WeakPolarHBondContact O-CG2 3.33Å; A402-V406 PolarHBondContact O-N 3.22Å; A402-L495 HydrophobicContact CB-CD1 4.14Å; A402-L508 HydrophobicContact CB-CD2 4.35Å
403	R	94.5	Very high	94.5	Very high	74 Å²	74	28.9 Å²	28.9	28%	0.279	14%	0.143	S	C	.	.	H	α-helix	trans	-61.7	-27.1	178.8	-63.9	170	72	-168.6	6.2	113.3	A399 E400 F401 P407 L495 H501 T503 L508	A399-R403 WeakPolarHBondContact O-CG 3.12Å; A399-R403 PolarHBondContact O-N 3.48Å; E400-R403 WeakPolarHBondContact O-CB 3.43Å; E400-R403 PolarHBondContact O-N 2.85Å; E400-R403 IonicContact OE1-NH1 2.98Å; E400-R403 WeakPolarHBondContact OE2-CD 3.39Å; E400-R403 IonicContact OE2-CZ 3.48Å; E400-R403 IonicContact OE2-NH1 3.09Å; E400-R403 PolarHBondContact OE2-NH1 2.86Å; F401-R403 PolarHBondContact O-N 3.44Å; R403-P407 WeakPolarHBondContact O-CD 3.29Å; R403-P407 VanDerWaalsContact O-CG 3.3Å; R403-P407 WeakPolarHBondContact O-CG 3.04Å; R403-L495 HydrophobicContact CG-CD2 3.78Å; R403-H501 PolarHBondContact NE-O 3.45Å; R403-H501 PolarHBondContact NH2-O 2.95Å; R403-T503 PolarHBondContact O-N 3.2Å; R403-L508 HydrophobicContact CG-CD1 4.28Å
404	K	94.9	Very high	94.4	Very high	76 Å²	76	27.9 Å²	27.9	33%	0.33	14%	0.139	S	C	.	.	H	α-helix	trans	-92	-42	174.1	-56.4	-176.2	-175.3	-175.9	0	111.7	F401 A402 P407 M445 E448 T503	F401-K404 PolarHBondContact O-N 3.38Å; F401-K404 VanDerWaalsContact O-N 3.07Å; A402-K404 PolarHBondContact O-N 3.11Å; K404-P407 WeakPolarHBondContact O-CG 3.46Å; K404-M445 HydrophobicContact CB-CE 4.14Å; K404-M445 HydrophobicContact CB-SD 4.47Å; K404-M445 WeakPolarHBondContact O-CE 3.48Å; K404-E448 HydrophobicContact CD-CG 4.49Å; K404-E448 IonicContact NZ-OE1 3.83Å; K404-E448 PolarHBondContact NZ-OE1 3.28Å; K404-E448 IonicContact NZ-OE2 2.7Å; K404-E448 PolarHBondContact NZ-OE2 3.1Å; K404-T503 HydrophobicContact CG-CG2 4.15Å
405	W	96.4	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-72.3	-41.6	-173.7	178.1	-114.6	0	0	0	114.1	F401 A402 F408 C409 I414 R417 P419 Y422 F423 M445	F401-W405 HydrophobicContact CD1-CB 4.04Å; F401-W405 HydrophobicContact CE1-CB 3.62Å; F401-W405 HydrophobicContact CE1-CD2 4.15Å; F401-W405 HydrophobicContact CE1-CE3 4.46Å; F401-W405 AromaticContact CE1-CG 3.81Å; F401-W405 HydrophobicContact CE1-CG 3.81Å; F401-W405 HydrophobicContact CZ-CB 3.98Å; F401-W405 HydrophobicContact CZ-CD2 4.34Å; F401-W405 HydrophobicContact CZ-CE3 4.19Å; F401-W405 HydrophobicContact CZ-CG 4.3Å; F401-W405 WeakPolarHBondContact O-CB 3.45Å; F401-W405 PolarHBondContact O-N 3.48Å; A402-W405 PolarHBondContact O-N 2.9Å; W405-F408 AromaticContact CE3-CD1 3.87Å; W405-F408 HydrophobicContact CE3-CD1 3.87Å; W405-F408 HydrophobicContact CE3-CE1 4.4Å; W405-F408 HydrophobicContact CH2-CD1 4.47Å; W405-F408 HydrophobicContact CH2-CE1 4.37Å; W405-F408 AromaticContact CZ3-CD1 3.68Å; W405-F408 HydrophobicContact CZ3-CD1 3.68Å; W405-F408 AromaticContact CZ3-CE1 3.75Å; W405-F408 HydrophobicContact CZ3-CE1 3.75Å; W405-F408 PolarHBondContact O-N 3.49Å; W405-C409 VanDerWaalsContact CD2-SG 3.59Å; W405-C409 WeakPolarHBondContact CZ2-SG 3.47Å; W405-C409 PolarHBondContact NE1-SG 3.27Å; W405-C409 VanDerWaalsContact O-CB 3.3Å; W405-C409 WeakPolarHBondContact O-CB 3.31Å; W405-C409 PolarHBondContact O-N 2.98Å; W405-C409 PolarHBondContact O-SG 3.48Å; W405-I414 HydrophobicContact CH2-CD1 3.38Å; W405-I414 HydrophobicContact CZ2-CD1 3.78Å; W405-I414 HydrophobicContact CZ3-CD1 3.95Å; W405-R417 PolarHBondContact NE1-O 2.93Å; W405-P419 HydrophobicContact CD2-CB 4.35Å; W405-P419 HydrophobicContact CE3-CB 4.49Å; W405-P419 HydrophobicContact CH2-CB 3.84Å; W405-P419 HydrophobicContact CZ2-CB 3.66Å; W405-P419 HydrophobicContact CZ2-CG 4.33Å; W405-P419 HydrophobicContact CZ3-CB 4.27Å; W405-Y422 AromaticContact CH2-CD1 3.9Å; W405-Y422 HydrophobicContact CH2-CD1 3.9Å; W405-Y422 HydrophobicContact CH2-CG 4.43Å; W405-F423 HydrophobicContact CH2-CE2 4.01Å; W405-F423 HydrophobicContact CH2-CZ 4.26Å; W405-F423 AromaticContact CZ3-CE2 3.76Å; W405-F423 HydrophobicContact CZ3-CE2 3.76Å; W405-F423 AromaticContact CZ3-CZ 3.83Å; W405-F423 HydrophobicContact CZ3-CZ 3.83Å; W405-M445 HydrophobicContact CE3-CG 3.61Å; W405-M445 HydrophobicContact CE3-SD 3.88Å; W405-M445 HydrophobicContact CZ3-CG 3.73Å
406	V	95	Very high	94.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-50.1	-177.1	173.5	0	0	0	0	112.8	L369 A370 A402 F408 C409 K410 L508	L369-V406 HydrophobicContact CB-CG2 4.02Å; A370-V406 HydrophobicContact CB-CG2 4.28Å; A402-V406 HydrophobicContact CB-CG2 4.29Å; A402-V406 VanDerWaalsContact O-CB 3.28Å; A402-V406 WeakPolarHBondContact O-CB 3.38Å; A402-V406 VanDerWaalsContact O-CG2 3.25Å; A402-V406 WeakPolarHBondContact O-CG2 3.33Å; A402-V406 PolarHBondContact O-N 3.22Å; V406-F408 PolarHBondContact O-N 3.45Å; V406-C409 WeakPolarHBondContact O-CB 3.09Å; V406-C409 PolarHBondContact O-N 2.86Å; V406-K410 HydrophobicContact CG1-CD 4.25Å; V406-K410 PolarHBondContact O-N 3.2Å; V406-L508 HydrophobicContact CB-CD2 3.9Å; V406-L508 HydrophobicContact CG1-CD2 4.27Å; V406-L508 HydrophobicContact CG2-CD2 3.88Å
407	P	94.1	Very high	94.2	Very high	10 Å²	10	29.1 Å²	29.1	7%	0.065	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-43.2	177	21.6	-32.1	0	0	0	111.7	R403 K404 C409 K410 K411 D502 E504	R403-P407 WeakPolarHBondContact O-CD 3.29Å; R403-P407 VanDerWaalsContact O-CG 3.3Å; R403-P407 WeakPolarHBondContact O-CG 3.04Å; K404-P407 WeakPolarHBondContact O-CG 3.46Å; P407-C409 PolarHBondContact O-N 3.23Å; P407-K410 PolarHBondContact O-N 3.35Å; P407-K411 WeakPolarHBondContact O-CB 3.41Å; P407-K411 PolarHBondContact O-N 3.31Å; P407-D502 HydrophobicContact CG-CB 4.22Å; P407-E504 HydrophobicContact CB-CG 4.47Å
408	F	94.9	Very high	94.2	Very high	9 Å²	9	27 Å²	27	4%	0.039	13%	0.13	C	C	.	.	H	α-helix	trans	-57	-46.9	174.3	173.5	-98.2	0	0	0	112.5	W405 V406 K410 F412 I414 F438 E441 R442 M445	W405-F408 AromaticContact CE3-CD1 3.87Å; W405-F408 HydrophobicContact CE3-CD1 3.87Å; W405-F408 HydrophobicContact CE3-CE1 4.4Å; W405-F408 HydrophobicContact CH2-CD1 4.47Å; W405-F408 HydrophobicContact CH2-CE1 4.37Å; W405-F408 AromaticContact CZ3-CD1 3.68Å; W405-F408 HydrophobicContact CZ3-CD1 3.68Å; W405-F408 AromaticContact CZ3-CE1 3.75Å; W405-F408 HydrophobicContact CZ3-CE1 3.75Å; W405-F408 PolarHBondContact O-N 3.49Å; V406-F408 PolarHBondContact O-N 3.45Å; F408-K410 PolarHBondContact O-N 3.16Å; F408-F412 AromaticContact CD2-CD2 3.46Å; F408-F412 HydrophobicContact CD2-CD2 3.46Å; F408-F412 VanDerWaalsContact CD2-CD2 3.46Å; F408-F412 AromaticContact CD2-CE2 3.48Å; F408-F412 HydrophobicContact CD2-CE2 3.48Å; F408-F412 VanDerWaalsContact CD2-CE2 3.48Å; F408-F412 AromaticContact CE2-CD2 3.42Å; F408-F412 HydrophobicContact CE2-CD2 3.42Å; F408-F412 VanDerWaalsContact CE2-CD2 3.42Å; F408-F412 AromaticContact CE2-CE2 3.51Å; F408-F412 HydrophobicContact CE2-CE2 3.51Å; F408-F412 HydrophobicContact CG-CD2 4.18Å; F408-F412 HydrophobicContact CZ-CD2 4.14Å; F408-F412 WeakPolarHBondContact O-CD2 3.35Å; F408-F412 PolarHBondContact O-N 3.14Å; F408-I414 HydrophobicContact CD1-CD1 3.79Å; F408-I414 HydrophobicContact CE1-CD1 3.49Å; F408-I414 VanDerWaalsContact CE1-CD1 3.49Å; F408-I414 HydrophobicContact CE1-CG2 4.41Å; F408-F438 HydrophobicContact CZ-CE2 4.44Å; F408-E441 HydrophobicContact CD2-CB 4.31Å; F408-E441 HydrophobicContact CE2-CB 4.12Å; F408-R442 HydrophobicContact CE2-CB 4.3Å; F408-R442 HydrophobicContact CZ-CB 4Å; F408-R442 HydrophobicContact CZ-CG 4.29Å; F408-M445 HydrophobicContact CB-CE 3.73Å; F408-M445 HydrophobicContact CD1-CB 4.32Å; F408-M445 HydrophobicContact CD1-CG 3.72Å; F408-M445 HydrophobicContact CD2-CB 4.23Å; F408-M445 HydrophobicContact CD2-CE 4.37Å; F408-M445 HydrophobicContact CD2-CG 4.38Å; F408-M445 HydrophobicContact CE1-CB 4.23Å; F408-M445 HydrophobicContact CE1-CG 3.93Å; F408-M445 HydrophobicContact CE2-CB 4.19Å; F408-M445 HydrophobicContact CG-CB 4.32Å; F408-M445 HydrophobicContact CG-CE 4Å; F408-M445 HydrophobicContact CG-CG 3.97Å; F408-M445 HydrophobicContact CZ-CB 4.2Å; F408-M445 HydrophobicContact CZ-CG 4.4Å
409	C	94.9	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-50.1	177.3	-86.2	0	0	0	0	112.6	A370 W405 V406 P407 C413 I414 R417	A370-C409 HydrophobicContact CB-CB 3.97Å; W405-C409 VanDerWaalsContact CD2-SG 3.59Å; W405-C409 WeakPolarHBondContact CZ2-SG 3.47Å; W405-C409 PolarHBondContact NE1-SG 3.27Å; W405-C409 VanDerWaalsContact O-CB 3.3Å; W405-C409 WeakPolarHBondContact O-CB 3.31Å; W405-C409 PolarHBondContact O-N 2.98Å; W405-C409 PolarHBondContact O-SG 3.48Å; V406-C409 WeakPolarHBondContact O-CB 3.09Å; V406-C409 PolarHBondContact O-N 2.86Å; P407-C409 PolarHBondContact O-N 3.23Å; C409-C413 WeakPolarHBondContact O-CA 3.31Å; C409-C413 PolarHBondContact O-N 3.34Å; C409-C413 VanDerWaalsContact O-N 3.08Å; C409-I414 HydrophobicContact CB-CD1 4.42Å; C409-I414 HydrophobicContact CB-CG1 4.36Å; C409-I414 PolarHBondContact O-N 2.92Å; C409-I414 VanDerWaalsContact SG-CD1 3.51Å; C409-R417 PolarHBondContact O-NH1 3.42Å
410	K	92.7	Very high	94.1	Very high	71 Å²	71	28.7 Å²	28.7	31%	0.309	14%	0.136	S	C	.	.	H	α-helix	trans	-69.2	-44.9	-176.4	-73.3	-172.3	175.3	-173.4	0	110.9	V371 V406 P407 F408 F412 C413	V371-K410 WeakPolarHBondContact O-CE 3.32Å; V406-K410 HydrophobicContact CG1-CD 4.25Å; V406-K410 PolarHBondContact O-N 3.2Å; P407-K410 PolarHBondContact O-N 3.35Å; F408-K410 PolarHBondContact O-N 3.16Å; K410-F412 PolarHBondContact O-N 3.09Å; K410-C413 PolarHBondContact O-N 3.26Å
411	K	93.2	Very high	94	Very high	77 Å²	77	27.3 Å²	27.3	34%	0.335	13%	0.129	S	C	.	.	H	α-helix	trans	-57.8	-43.8	179.6	-179.3	178.4	175.2	-172.7	0	113.4	P407 Q435 E441	P407-K411 WeakPolarHBondContact O-CB 3.41Å; P407-K411 PolarHBondContact O-N 3.31Å; K411-Q435 PolarHBondContact O-NE2 3.45Å; K411-E441 IonicContact NZ-OE1 2.59Å; K411-E441 PolarHBondContact NZ-OE1 3.47Å; K411-E441 IonicContact NZ-OE2 2.88Å; K411-E441 PolarHBondContact NZ-OE2 3.3Å
412	F	93.2	Very high	93.9	Very high	9 Å²	9	28 Å²	28	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-99.9	2.1	-176.2	-64.1	-64.6	0	0	0	114.5	F408 K410 I414 K433 Q435 F438 E441	F408-F412 AromaticContact CD2-CD2 3.46Å; F408-F412 HydrophobicContact CD2-CD2 3.46Å; F408-F412 VanDerWaalsContact CD2-CD2 3.46Å; F408-F412 AromaticContact CD2-CE2 3.48Å; F408-F412 HydrophobicContact CD2-CE2 3.48Å; F408-F412 VanDerWaalsContact CD2-CE2 3.48Å; F408-F412 AromaticContact CE2-CD2 3.42Å; F408-F412 HydrophobicContact CE2-CD2 3.42Å; F408-F412 VanDerWaalsContact CE2-CD2 3.42Å; F408-F412 AromaticContact CE2-CE2 3.51Å; F408-F412 HydrophobicContact CE2-CE2 3.51Å; F408-F412 HydrophobicContact CG-CD2 4.18Å; F408-F412 HydrophobicContact CZ-CD2 4.14Å; F408-F412 WeakPolarHBondContact O-CD2 3.35Å; F408-F412 PolarHBondContact O-N 3.14Å; K410-F412 PolarHBondContact O-N 3.09Å; F412-I414 HydrophobicContact CB-CG2 3.75Å; F412-I414 PolarHBondContact O-N 3Å; F412-K433 PolarHBondContact O-NZ 2.95Å; F412-Q435 HydrophobicContact CD1-CB 4.09Å; F412-Q435 HydrophobicContact CD1-CG 4.34Å; F412-Q435 VanDerWaalsContact CD1-OE1 3.25Å; F412-Q435 HydrophobicContact CE1-CB 3.78Å; F412-Q435 HydrophobicContact CE1-CG 4.33Å; F412-F438 HydrophobicContact CB-CD2 4.01Å; F412-F438 HydrophobicContact CB-CE2 4.12Å; F412-F438 HydrophobicContact CD1-CB 4.04Å; F412-F438 AromaticContact CD1-CD2 3.56Å; F412-F438 HydrophobicContact CD1-CD2 3.56Å; F412-F438 HydrophobicContact CD1-CE2 4.49Å; F412-F438 HydrophobicContact CD1-CG 4.23Å; F412-F438 HydrophobicContact CD2-CD2 4.05Å; F412-F438 HydrophobicContact CE1-CB 3.76Å; F412-F438 AromaticContact CE1-CD2 3.97Å; F412-F438 HydrophobicContact CE1-CD2 3.97Å; F412-F438 HydrophobicContact CE1-CG 4.37Å; F412-F438 HydrophobicContact CE2-CD2 4.42Å; F412-F438 AromaticContact CG-CD2 3.61Å; F412-F438 HydrophobicContact CG-CD2 3.61Å; F412-F438 HydrophobicContact CG-CE2 4.17Å; F412-F438 HydrophobicContact CZ-CB 4.38Å; F412-F438 HydrophobicContact CZ-CD2 4.38Å; F412-E441 HydrophobicContact CE2-CB 3.84Å; F412-E441 HydrophobicContact CE2-CG 4.44Å; F412-E441 WeakPolarHBondContact CE2-OE2 3.49Å; F412-E441 HydrophobicContact CZ-CB 3.99Å; F412-E441 HydrophobicContact CZ-CG 4.28Å; F412-E441 VanDerWaalsContact CZ-OE2 3.27Å; F412-E441 WeakPolarHBondContact CZ-OE2 3.41Å
413	C	92.6	Very high	93.8	Very high	85 Å²	85	29 Å²	29	57%	0.574	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.1	49.2	-176.2	-63.4	0	0	0	0	112.1	C409 K410 K433	C409-C413 WeakPolarHBondContact O-CA 3.31Å; C409-C413 PolarHBondContact O-N 3.34Å; C409-C413 VanDerWaalsContact O-N 3.08Å; K410-C413 PolarHBondContact O-N 3.26Å; C413-K433 PolarHBondContact O-NZ 2.88Å; C413-K433 VanDerWaalsContact O-NZ 3.11Å
414	I	92.7	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.149	C	C	.	.			trans	-76.5	148.2	179.9	73.3	-174.6	0	0	0	110.4	W405 F408 C409 F412 R417 Y422 F438	W405-I414 HydrophobicContact CH2-CD1 3.38Å; W405-I414 HydrophobicContact CZ2-CD1 3.78Å; W405-I414 HydrophobicContact CZ3-CD1 3.95Å; F408-I414 HydrophobicContact CD1-CD1 3.79Å; F408-I414 HydrophobicContact CE1-CD1 3.49Å; F408-I414 VanDerWaalsContact CE1-CD1 3.49Å; F408-I414 HydrophobicContact CE1-CG2 4.41Å; C409-I414 HydrophobicContact CB-CD1 4.42Å; C409-I414 HydrophobicContact CB-CG1 4.36Å; C409-I414 PolarHBondContact O-N 2.92Å; C409-I414 VanDerWaalsContact SG-CD1 3.51Å; F412-I414 HydrophobicContact CB-CG2 3.75Å; F412-I414 PolarHBondContact O-N 3Å; I414-R417 WeakPolarHBondContact O-CD 3.3Å; I414-R417 PolarHBondContact O-NE 3.19Å; I414-Y422 HydrophobicContact CB-CD2 4.49Å; I414-Y422 HydrophobicContact CB-CE2 4.03Å; I414-Y422 HydrophobicContact CD1-CD1 4.39Å; I414-Y422 HydrophobicContact CD1-CE1 4.29Å; I414-F438 HydrophobicContact CG2-CE2 4.21Å
415	E	91.4	Very high	93.1	Very high	53 Å²	53	29.4 Å²	29.4	25%	0.248	15%	0.154	C	C	.	.	S	Bend	trans	-146.8	139.5	173.6	-64.5	-164.1	146.2	0	0	110.7	S559 R771	E415-S559 PolarHBondContact OE1-N 2.92Å; E415-S559 VanDerWaalsContact OE1-N 3.12Å; E415-S559 PolarHBondContact OE1-OG 2.93Å; E415-R771 VanDerWaalsContact C-NH2 3.29Å; E415-R771 PolarHBondContact O-NH2 3.28Å; E415-R771 WeakPolarHBondContact OE2-CD 3.48Å; E415-R771 IonicContact OE2-CZ 3.47Å; E415-R771 IonicContact OE2-NE 2.8Å; E415-R771 PolarHBondContact OE2-NE 3.48Å; E415-R771 IonicContact OE2-NH1 3.58Å; E415-R771 PolarHBondContact OE2-NH1 3.42Å
416	P	93.8	Very high	92.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	19%	0.19	C	C	.	.	S	Bend	cis	-69	165.3	2.2	29.8	-35	0	0	0	112.9	F421 L425 Y555	P416-F421 HydrophobicContact CG-CB 4.17Å; P416-L425 HydrophobicContact CG-CD1 4.04Å; P416-Y555 HydrophobicContact CB-CE2 3.76Å; P416-Y555 HydrophobicContact CG-CE2 4.49Å
417	R	93.8	Very high	91.8	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.038	22%	0.217	C	C	.	.	S	Bend	trans	-84.8	-11.4	-179.2	-57.6	-61.5	178.5	150.2	4.2	113.6	A370 W405 C409 I414 S559	A370-R417 HydrophobicContact CB-CB 4.25Å; W405-R417 PolarHBondContact NE1-O 2.93Å; C409-R417 PolarHBondContact O-NH1 3.42Å; I414-R417 WeakPolarHBondContact O-CD 3.3Å; I414-R417 PolarHBondContact O-NE 3.19Å; R417-S559 PolarHBondContact NE-OG 3.05Å; R417-S559 PolarHBondContact NH2-OG 3.26Å
418	A	95.2	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-82.5	120	174	0	0	0	0	0	109.8	N363 F421 Y422 Y555	N363-A418 HydrophobicContact CB-CB 4.38Å; A418-F421 HydrophobicContact CB-CB 4.44Å; A418-F421 HydrophobicContact CB-CD2 3.76Å; A418-F421 PolarHBondContact O-N 3.38Å; A418-Y422 WeakPolarHBondContact O-CB 3.45Å; A418-Y422 PolarHBondContact O-N 2.72Å; A418-Y555 HydrophobicContact CB-CD1 4.49Å; A418-Y555 HydrophobicContact CB-CD2 3.56Å; A418-Y555 HydrophobicContact CB-CE2 4.11Å; A418-Y555 HydrophobicContact CB-CG 3.78Å
419	P	95.6	Very high	90.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-41.3	-172.2	23.5	-33.6	0	0	0	114.1	N363 L366 F401 W405 F421 Y422 F423 Y449	N363-P419 WeakPolarHBondContact OD1-CD 3Å; N363-P419 VanDerWaalsContact OD1-CG 3.3Å; N363-P419 WeakPolarHBondContact OD1-CG 3.27Å; L366-P419 HydrophobicContact CD1-CG 3.79Å; F401-P419 HydrophobicContact CE1-CG 4.16Å; W405-P419 HydrophobicContact CD2-CB 4.35Å; W405-P419 HydrophobicContact CE3-CB 4.49Å; W405-P419 HydrophobicContact CH2-CB 3.84Å; W405-P419 HydrophobicContact CZ2-CB 3.66Å; W405-P419 HydrophobicContact CZ2-CG 4.33Å; W405-P419 HydrophobicContact CZ3-CB 4.27Å; P419-F421 VanDerWaalsContact C-N 3.33Å; P419-F421 PolarHBondContact O-N 2.72Å; P419-Y422 PolarHBondContact O-N 3.43Å; P419-Y422 VanDerWaalsContact O-N 3.15Å; P419-F423 HydrophobicContact CB-CD2 4.13Å; P419-F423 HydrophobicContact CB-CE2 4.07Å; P419-F423 WeakPolarHBondContact O-CD2 3.38Å; P419-F423 PolarHBondContact O-N 3.25Å; P419-Y449 HydrophobicContact CB-CD1 4.46Å; P419-Y449 HydrophobicContact CB-CD2 3.57Å; P419-Y449 HydrophobicContact CB-CE1 4.39Å; P419-Y449 HydrophobicContact CB-CE2 3.49Å; P419-Y449 VanDerWaalsContact CB-CE2 3.49Å; P419-Y449 HydrophobicContact CB-CG 4.07Å; P419-Y449 HydrophobicContact CG-CD2 3.81Å; P419-Y449 HydrophobicContact CG-CE2 3.38Å
420	E	93.4	Very high	90.5	Very high	43 Å²	43	54.6 Å²	54.6	20%	0.201	28%	0.276	C	S	.	.	H	α-helix	trans	-55.4	-52.1	177.5	-170.6	67.5	-168.8	0	0	110.1	N363 Y422 S424 Y449 K453	N363-E420 VanDerWaalsContact OD1-CB 3.3Å; N363-E420 WeakPolarHBondContact OD1-CB 3.28Å; N363-E420 PolarHBondContact OD1-N 3.16Å; E420-Y422 VanDerWaalsContact C-N 3.34Å; E420-Y422 PolarHBondContact O-N 3.44Å; E420-S424 VanDerWaalsContact O-CB 3.27Å; E420-S424 WeakPolarHBondContact O-CB 3.42Å; E420-S424 PolarHBondContact O-N 3.28Å; E420-S424 VanDerWaalsContact O-N 3.08Å; E420-S424 PolarHBondContact O-OG 2.85Å; E420-Y449 WeakPolarHBondContact CA-OH 3.18Å; E420-Y449 VanDerWaalsContact CB-OH 3.22Å; E420-Y449 WeakPolarHBondContact CB-OH 3.29Å; E420-Y449 PolarHBondContact N-OH 2.9Å; E420-Y449 WeakPolarHBondContact OE2-CE1 3.24Å; E420-Y449 VanDerWaalsContact OE2-CZ 3.3Å; E420-Y449 PolarHBondContact OE2-OH 3.47Å; E420-K453 IonicContact OE1-NZ 2.72Å; E420-K453 PolarHBondContact OE1-NZ 2.72Å; E420-K453 IonicContact OE2-NZ 2.91Å
421	F	90.4	Very high	90.1	Very high	48 Å²	48	57.8 Å²	57.8	21%	0.211	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-32	-179.3	-62.2	-73.3	0	0	0	112	P416 A418 P419 L425 Y555	P416-F421 HydrophobicContact CG-CB 4.17Å; A418-F421 HydrophobicContact CB-CB 4.44Å; A418-F421 HydrophobicContact CB-CD2 3.76Å; A418-F421 PolarHBondContact O-N 3.38Å; P419-F421 VanDerWaalsContact C-N 3.33Å; P419-F421 PolarHBondContact O-N 2.72Å; F421-L425 VanDerWaalsContact O-CG 3.25Å; F421-L425 WeakPolarHBondContact O-CG 3.33Å; F421-L425 PolarHBondContact O-N 3.2Å; F421-Y555 HydrophobicContact CB-CE1 4.42Å; F421-Y555 HydrophobicContact CB-CE2 4.44Å; F421-Y555 HydrophobicContact CD1-CE1 4.07Å; F421-Y555 AromaticContact CD2-CD1 3.56Å; F421-Y555 HydrophobicContact CD2-CD1 3.56Å; F421-Y555 HydrophobicContact CD2-CD2 4.49Å; F421-Y555 AromaticContact CD2-CE1 3.3Å; F421-Y555 HydrophobicContact CD2-CE1 3.3Å; F421-Y555 HydrophobicContact CD2-CE2 4.29Å; F421-Y555 HydrophobicContact CD2-CG 4.16Å; F421-Y555 AromaticContact CD2-CZ 3.7Å; F421-Y555 HydrophobicContact CE1-CE1 4.13Å; F421-Y555 AromaticContact CE2-CD1 3.41Å; F421-Y555 HydrophobicContact CE2-CD1 3.41Å; F421-Y555 VanDerWaalsContact CE2-CD1 3.41Å; F421-Y555 AromaticContact CE2-CE1 3.37Å; F421-Y555 HydrophobicContact CE2-CE1 3.37Å; F421-Y555 HydrophobicContact CE2-CG 4.31Å; F421-Y555 HydrophobicContact CG-CD1 4.37Å; F421-Y555 AromaticContact CG-CE1 3.66Å; F421-Y555 HydrophobicContact CG-CE1 3.66Å; F421-Y555 HydrophobicContact CG-CE2 4.49Å; F421-Y555 AromaticContact CG-CZ 3.73Å; F421-Y555 HydrophobicContact CZ-CD1 4.13Å; F421-Y555 AromaticContact CZ-CE1 3.8Å; F421-Y555 HydrophobicContact CZ-CE1 3.8Å
422	Y	93.3	Very high	89.6	Confident	16 Å²	16	61 Å²	61	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-67.8	-47.8	176.5	171.3	-104.1	0	0	0	112.2	W405 I414 A418 P419 E420 L425 R442	W405-Y422 AromaticContact CH2-CD1 3.9Å; W405-Y422 HydrophobicContact CH2-CD1 3.9Å; W405-Y422 HydrophobicContact CH2-CG 4.43Å; I414-Y422 HydrophobicContact CB-CD2 4.49Å; I414-Y422 HydrophobicContact CB-CE2 4.03Å; I414-Y422 HydrophobicContact CD1-CD1 4.39Å; I414-Y422 HydrophobicContact CD1-CE1 4.29Å; A418-Y422 WeakPolarHBondContact O-CB 3.45Å; A418-Y422 PolarHBondContact O-N 2.72Å; P419-Y422 PolarHBondContact O-N 3.43Å; P419-Y422 VanDerWaalsContact O-N 3.15Å; E420-Y422 VanDerWaalsContact C-N 3.34Å; E420-Y422 PolarHBondContact O-N 3.44Å; Y422-L425 PolarHBondContact O-N 3.14Å; Y422-R442 PolarHBondContact OH-NE 2.85Å; Y422-R442 VanDerWaalsContact OH-NE 3.11Å
423	F	93.9	Very high	89.2	Confident	22 Å²	22	63.7 Å²	63.7	10%	0.096	32%	0.322	C	S	.	.	H	α-helix	trans	-74.9	-25.3	-176.7	-70.5	-62.2	0	0	0	113.1	W405 P419 R442 M445 K446 Y449	W405-F423 HydrophobicContact CH2-CE2 4.01Å; W405-F423 HydrophobicContact CH2-CZ 4.26Å; W405-F423 AromaticContact CZ3-CE2 3.76Å; W405-F423 HydrophobicContact CZ3-CE2 3.76Å; W405-F423 AromaticContact CZ3-CZ 3.83Å; W405-F423 HydrophobicContact CZ3-CZ 3.83Å; P419-F423 HydrophobicContact CB-CD2 4.13Å; P419-F423 HydrophobicContact CB-CE2 4.07Å; P419-F423 WeakPolarHBondContact O-CD2 3.38Å; P419-F423 PolarHBondContact O-N 3.25Å; F423-R442 HydrophobicContact CE1-CG 4.46Å; F423-M445 HydrophobicContact CZ-CG 4.38Å; F423-K446 HydrophobicContact CD1-CB 4.19Å; F423-K446 HydrophobicContact CD1-CD 4.26Å; F423-K446 HydrophobicContact CD1-CG 3.99Å; F423-K446 HydrophobicContact CE1-CB 3.73Å; F423-K446 HydrophobicContact CE1-CG 4.05Å; F423-K446 HydrophobicContact CG-CG 4.45Å; F423-K446 HydrophobicContact CZ-CB 4.11Å; F423-Y449 AromaticContact CD2-CD1 3.55Å; F423-Y449 HydrophobicContact CD2-CD1 3.55Å; F423-Y449 HydrophobicContact CD2-CE1 4.17Å; F423-Y449 AromaticContact CD2-CG 3.95Å; F423-Y449 HydrophobicContact CD2-CG 3.95Å; F423-Y449 AromaticContact CE2-CD1 3.99Å; F423-Y449 HydrophobicContact CE2-CD1 3.99Å; F423-Y449 AromaticContact CE2-CG 3.9Å; F423-Y449 HydrophobicContact CE2-CG 3.9Å
424	S	88.4	Confident	88.9	Confident	78 Å²	78	66.1 Å²	66.1	55%	0.545	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.6	175.9	-61.4	0	0	0	0	114.4	E420 K426	E420-S424 VanDerWaalsContact O-CB 3.27Å; E420-S424 WeakPolarHBondContact O-CB 3.42Å; E420-S424 PolarHBondContact O-N 3.28Å; E420-S424 VanDerWaalsContact O-N 3.08Å; E420-S424 PolarHBondContact O-OG 2.85Å; S424-K426 PolarHBondContact O-N 2.98Å
425	L	85.6	Confident	88.6	Confident	80 Å²	80	69.7 Å²	69.7	42%	0.419	35%	0.351	S	S	.	.			trans	-68.7	121	176.6	-80.1	164.2	0	0	0	111.6	P416 F421 Y422 V427	P416-L425 HydrophobicContact CG-CD1 4.04Å; F421-L425 VanDerWaalsContact O-CG 3.25Å; F421-L425 WeakPolarHBondContact O-CG 3.33Å; F421-L425 PolarHBondContact O-N 3.2Å; Y422-L425 PolarHBondContact O-N 3.14Å; L425-V427 HydrophobicContact CD2-CG2 4.46Å; L425-V427 PolarHBondContact O-N 3.03Å; L425-V427 VanDerWaalsContact O-N 3.07Å
426	K	83.4	Confident	88.4	Confident	176 Å²	176	73.2 Å²	73.2	77%	0.765	38%	0.378	S	S	*	.			trans	-78.1	23.5	173.9	-60.3	-179.6	-179.5	172	0	113.7	S424	S424-K426 PolarHBondContact O-N 2.98Å
427	V	80.6	Confident	88.4	Confident	98 Å²	98	75.6 Å²	75.6	59%	0.594	39%	0.393	S	S	*	.	S	Bend	trans	-95.9	149.9	-179.7	-176.8	0	0	0	0	109.4	L425 Y429	L425-V427 HydrophobicContact CD2-CG2 4.46Å; L425-V427 PolarHBondContact O-N 3.03Å; L425-V427 VanDerWaalsContact O-N 3.07Å; V427-Y429 PolarHBondContact O-N 2.86Å
428	D	85.5	Confident	88.3	Confident	102 Å²	102	75.3 Å²	75.3	55%	0.545	39%	0.392	S	S	.	.			trans	-58.5	107.7	173.2	-175.4	0.7	0	0	0	111.1	L430	D428-L430 VanDerWaalsContact C-N 3.29Å; D428-L430 PolarHBondContact O-N 2.83Å; D428-L430 WeakPolarHBondContact OD1-CB 3.48Å; D428-L430 PolarHBondContact OD1-N 2.72Å
429	Y	85.6	Confident	88.1	Confident	98 Å²	98	78 Å²	78	38%	0.384	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.7	-176.8	58.1	-94.5	0	0	0	113.3	V427 F438 R442	V427-Y429 PolarHBondContact O-N 2.86Å; Y429-F438 HydrophobicContact CD2-CE1 4.28Å; Y429-F438 WeakPolarHBondContact O-CE1 3.47Å; Y429-R442 VanDerWaalsContact CG-CZ 3.44Å
430	L	86.7	Confident	88	Confident	78 Å²	78	85.2 Å²	85.2	41%	0.408	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.7	177.1	-64.5	174.5	0	0	0	112.5	D428 D432 K433 F438 V439	D428-L430 VanDerWaalsContact C-N 3.29Å; D428-L430 PolarHBondContact O-N 2.83Å; D428-L430 WeakPolarHBondContact OD1-CB 3.48Å; D428-L430 PolarHBondContact OD1-N 2.72Å; L430-D432 PolarHBondContact O-N 3.39Å; L430-K433 PolarHBondContact O-N 3.5Å; L430-F438 HydrophobicContact CD2-CD1 4.19Å; L430-F438 HydrophobicContact CD2-CE1 4.17Å; L430-V439 HydrophobicContact CD2-CG2 3.81Å
431	K	83.1	Confident	88.1	Confident	138 Å²	138	85.8 Å²	85.8	60%	0.6	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	129.3	-179.9	-168.1	178.3	178.1	178.4	0	111.4	K433	K431-K433 PolarHBondContact O-N 3.4Å; K431-K433 VanDerWaalsContact O-N 3.17Å
432	D	82.5	Confident	88.3	Confident	143 Å²	143	84.8 Å²	84.8	77%	0.765	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.8	178.8	-49.7	-38.4	0	0	0	115.5	L430	L430-D432 PolarHBondContact O-N 3.39Å
433	K	86.7	Confident	88.3	Confident	66 Å²	66	91.1 Å²	91.1	29%	0.287	46%	0.463	S	S	.	.			trans	-93.3	112.9	178.3	-57.8	-56.1	-178.2	-172.2	0	110.8	F412 C413 L430 K431 F438	F412-K433 PolarHBondContact O-NZ 2.95Å; C413-K433 PolarHBondContact O-NZ 2.88Å; C413-K433 VanDerWaalsContact O-NZ 3.11Å; L430-K433 PolarHBondContact O-N 3.5Å; K431-K433 PolarHBondContact O-N 3.4Å; K431-K433 VanDerWaalsContact O-N 3.17Å; K433-F438 HydrophobicContact CB-CD1 3.83Å; K433-F438 HydrophobicContact CB-CE1 4.05Å; K433-F438 HydrophobicContact CB-CG 4.31Å; K433-F438 HydrophobicContact CD-CZ 4.34Å; K433-F438 HydrophobicContact CG-CD1 3.95Å; K433-F438 HydrophobicContact CG-CE1 3.65Å; K433-F438 HydrophobicContact CG-CE2 4.48Å; K433-F438 HydrophobicContact CG-CG 4.48Å; K433-F438 HydrophobicContact CG-CZ 3.93Å
434	V	86.1	Confident	88.4	Confident	137 Å²	137	92.3 Å²	92.3	83%	0.83	48%	0.477	S	S	*	.			trans	-99.9	-12.5	-177	-62.2	0	0	0	0	114.1
435	Q	86.2	Confident	88.8	Confident	76 Å²	76	89.6 Å²	89.6	36%	0.355	46%	0.456	S	S	.	.			trans	-78.8	129.2	-175.5	-68.1	-172.5	28.4	0	0	111.3	K411 F412 T437 F438	K411-Q435 PolarHBondContact O-NE2 3.45Å; F412-Q435 HydrophobicContact CD1-CB 4.09Å; F412-Q435 HydrophobicContact CD1-CG 4.34Å; F412-Q435 VanDerWaalsContact CD1-OE1 3.25Å; F412-Q435 HydrophobicContact CE1-CB 3.78Å; F412-Q435 HydrophobicContact CE1-CG 4.33Å; Q435-T437 VanDerWaalsContact C-N 3.34Å; Q435-T437 PolarHBondContact O-N 2.88Å; Q435-F438 VanDerWaalsContact O-CB 3.31Å; Q435-F438 WeakPolarHBondContact O-CB 3.32Å; Q435-F438 PolarHBondContact O-N 3.4Å
436	P	87.7	Confident	89.3	Confident	126 Å²	126	90 Å²	90	82%	0.818	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.3	-172.8	25.9	-34.2	0	0	0	113.3	F438	P436-F438 VanDerWaalsContact C-N 3.28Å; P436-F438 PolarHBondContact O-N 3.09Å
437	T	92.5	Very high	89.9	Confident	53 Å²	53	89.2 Å²	89.2	33%	0.325	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.1	-178.3	63.1	0	0	0	0	113.6	Q435 V439 Q440 E441	Q435-T437 VanDerWaalsContact C-N 3.34Å; Q435-T437 PolarHBondContact O-N 2.88Å; T437-V439 VanDerWaalsContact C-N 3.34Å; T437-V439 PolarHBondContact O-N 3.31Å; T437-Q440 PolarHBondContact O-N 3.39Å; T437-E441 WeakPolarHBondContact CB-OE1 3.34Å; T437-E441 PolarHBondContact O-N 3.28Å; T437-E441 PolarHBondContact OG1-OE1 3.43Å
438	F	92.4	Very high	90.7	Very high	3 Å²	3	87 Å²	87	1%	0.013	43%	0.43	C	S	.	.	H	α-helix	trans	-56.5	-43.4	-172.6	175.3	-113.4	0	0	0	113.2	F408 F412 I414 Y429 L430 K433 Q435 P436 Q440 R442	F408-F438 HydrophobicContact CZ-CE2 4.44Å; F412-F438 HydrophobicContact CB-CD2 4.01Å; F412-F438 HydrophobicContact CB-CE2 4.12Å; F412-F438 HydrophobicContact CD1-CB 4.04Å; F412-F438 AromaticContact CD1-CD2 3.56Å; F412-F438 HydrophobicContact CD1-CD2 3.56Å; F412-F438 HydrophobicContact CD1-CE2 4.49Å; F412-F438 HydrophobicContact CD1-CG 4.23Å; F412-F438 HydrophobicContact CD2-CD2 4.05Å; F412-F438 HydrophobicContact CE1-CB 3.76Å; F412-F438 AromaticContact CE1-CD2 3.97Å; F412-F438 HydrophobicContact CE1-CD2 3.97Å; F412-F438 HydrophobicContact CE1-CG 4.37Å; F412-F438 HydrophobicContact CE2-CD2 4.42Å; F412-F438 AromaticContact CG-CD2 3.61Å; F412-F438 HydrophobicContact CG-CD2 3.61Å; F412-F438 HydrophobicContact CG-CE2 4.17Å; F412-F438 HydrophobicContact CZ-CB 4.38Å; F412-F438 HydrophobicContact CZ-CD2 4.38Å; I414-F438 HydrophobicContact CG2-CE2 4.21Å; Y429-F438 HydrophobicContact CD2-CE1 4.28Å; Y429-F438 WeakPolarHBondContact O-CE1 3.47Å; L430-F438 HydrophobicContact CD2-CD1 4.19Å; L430-F438 HydrophobicContact CD2-CE1 4.17Å; K433-F438 HydrophobicContact CB-CD1 3.83Å; K433-F438 HydrophobicContact CB-CE1 4.05Å; K433-F438 HydrophobicContact CB-CG 4.31Å; K433-F438 HydrophobicContact CD-CZ 4.34Å; K433-F438 HydrophobicContact CG-CD1 3.95Å; K433-F438 HydrophobicContact CG-CE1 3.65Å; K433-F438 HydrophobicContact CG-CE2 4.48Å; K433-F438 HydrophobicContact CG-CG 4.48Å; K433-F438 HydrophobicContact CG-CZ 3.93Å; Q435-F438 VanDerWaalsContact O-CB 3.31Å; Q435-F438 WeakPolarHBondContact O-CB 3.32Å; Q435-F438 PolarHBondContact O-N 3.4Å; P436-F438 VanDerWaalsContact C-N 3.28Å; P436-F438 PolarHBondContact O-N 3.09Å; F438-Q440 PolarHBondContact O-N 3.24Å; F438-R442 HydrophobicContact CE2-CB 4.33Å; F438-R442 HydrophobicContact CZ-CB 4.47Å; F438-R442 WeakPolarHBondContact O-CB 3.45Å; F438-R442 PolarHBondContact O-N 3.05Å
439	V	91.1	Very high	91.2	Very high	57 Å²	57	82.2 Å²	82.2	35%	0.345	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-43.4	-177.7	-179.7	0	0	0	0	111.3	L430 T437 R443	L430-V439 HydrophobicContact CD2-CG2 3.81Å; T437-V439 VanDerWaalsContact C-N 3.34Å; T437-V439 PolarHBondContact O-N 3.31Å; V439-R443 WeakPolarHBondContact O-CG 3.49Å; V439-R443 PolarHBondContact O-N 3.28Å
440	Q	93.4	Very high	91.7	Very high	152 Å²	152	81.4 Å²	81.4	71%	0.71	40%	0.404	S	S	*	.	H	α-helix	trans	-67.6	-51.4	179.8	-177	179.8	0.6	0	0	110.8	T437 F438 R442 R443 A444	T437-Q440 PolarHBondContact O-N 3.39Å; F438-Q440 PolarHBondContact O-N 3.24Å; Q440-R442 PolarHBondContact O-N 2.64Å; Q440-R443 PolarHBondContact O-N 2.94Å; Q440-A444 PolarHBondContact O-N 3Å; Q440-A444 VanDerWaalsContact O-N 3.1Å
441	E	94.5	Very high	92.2	Very high	55 Å²	55	82.9 Å²	82.9	26%	0.257	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-37.9	-178.7	-70.1	-177.7	-133.3	0	0	111.8	F408 K411 F412 T437 R443 A444 M445	F408-E441 HydrophobicContact CD2-CB 4.31Å; F408-E441 HydrophobicContact CE2-CB 4.12Å; K411-E441 IonicContact NZ-OE1 2.59Å; K411-E441 PolarHBondContact NZ-OE1 3.47Å; K411-E441 IonicContact NZ-OE2 2.88Å; K411-E441 PolarHBondContact NZ-OE2 3.3Å; F412-E441 HydrophobicContact CE2-CB 3.84Å; F412-E441 HydrophobicContact CE2-CG 4.44Å; F412-E441 WeakPolarHBondContact CE2-OE2 3.49Å; F412-E441 HydrophobicContact CZ-CB 3.99Å; F412-E441 HydrophobicContact CZ-CG 4.28Å; F412-E441 VanDerWaalsContact CZ-OE2 3.27Å; F412-E441 WeakPolarHBondContact CZ-OE2 3.41Å; T437-E441 WeakPolarHBondContact CB-OE1 3.34Å; T437-E441 PolarHBondContact O-N 3.28Å; T437-E441 PolarHBondContact OG1-OE1 3.43Å; E441-R443 PolarHBondContact O-N 2.97Å; E441-A444 PolarHBondContact O-N 3.33Å; E441-M445 VanDerWaalsContact O-CB 3.31Å; E441-M445 WeakPolarHBondContact O-CB 3.38Å; E441-M445 PolarHBondContact O-N 3.44Å
442	R	94.8	Very high	92.9	Very high	27 Å²	27	76.3 Å²	76.3	10%	0.102	38%	0.38	C	S	.	.	H	α-helix	trans	-63.3	-41.2	175.5	-178.4	180	179	-86.8	-0.7	112.3	F408 Y422 F423 Y429 F438 Q440 M445 K446	F408-R442 HydrophobicContact CE2-CB 4.3Å; F408-R442 HydrophobicContact CZ-CB 4Å; F408-R442 HydrophobicContact CZ-CG 4.29Å; Y422-R442 PolarHBondContact OH-NE 2.85Å; Y422-R442 VanDerWaalsContact OH-NE 3.11Å; F423-R442 HydrophobicContact CE1-CG 4.46Å; Y429-R442 VanDerWaalsContact CG-CZ 3.44Å; F438-R442 HydrophobicContact CE2-CB 4.33Å; F438-R442 HydrophobicContact CZ-CB 4.47Å; F438-R442 WeakPolarHBondContact O-CB 3.45Å; F438-R442 PolarHBondContact O-N 3.05Å; Q440-R442 PolarHBondContact O-N 2.64Å; R442-M445 PolarHBondContact O-N 2.76Å; R442-K446 WeakPolarHBondContact O-CB 3.39Å; R442-K446 PolarHBondContact O-N 3.01Å
443	R	93.8	Very high	93.5	Very high	149 Å²	149	70.9 Å²	70.9	56%	0.562	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-43.4	177.4	-74.1	177.6	-168.2	-176.7	3.6	111.3	V439 Q440 E441 K446 R447	V439-R443 WeakPolarHBondContact O-CG 3.49Å; V439-R443 PolarHBondContact O-N 3.28Å; Q440-R443 PolarHBondContact O-N 2.94Å; E441-R443 PolarHBondContact O-N 2.97Å; R443-K446 PolarHBondContact O-N 3.46Å; R443-R447 PolarHBondContact O-N 2.83Å
444	A	95.7	Very high	94	Very high	46 Å²	46	72.5 Å²	72.5	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-48.2	175	0	0	0	0	0	111.2	Q440 E441 K446 R447 E448	Q440-A444 PolarHBondContact O-N 3Å; Q440-A444 VanDerWaalsContact O-N 3.1Å; E441-A444 PolarHBondContact O-N 3.33Å; A444-K446 VanDerWaalsContact C-N 3.31Å; A444-K446 PolarHBondContact O-N 2.99Å; A444-R447 PolarHBondContact O-N 2.84Å; A444-R447 VanDerWaalsContact O-N 3.12Å; A444-E448 WeakPolarHBondContact O-CG 3.41Å; A444-E448 PolarHBondContact O-N 3.39Å
445	M	96.7	Very high	94.5	Very high	22 Å²	22	69.8 Å²	69.8	11%	0.108	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-34.8	178.7	-169	57.8	54.6	0	0	113	F401 K404 W405 F408 F423 E441 R442 E448 Y449	F401-M445 HydrophobicContact CE2-SD 4.31Å; F401-M445 HydrophobicContact CZ-SD 4.34Å; K404-M445 HydrophobicContact CB-CE 4.14Å; K404-M445 HydrophobicContact CB-SD 4.47Å; K404-M445 WeakPolarHBondContact O-CE 3.48Å; W405-M445 HydrophobicContact CE3-CG 3.61Å; W405-M445 HydrophobicContact CE3-SD 3.88Å; W405-M445 HydrophobicContact CZ3-CG 3.73Å; F408-M445 HydrophobicContact CB-CE 3.73Å; F408-M445 HydrophobicContact CD1-CB 4.32Å; F408-M445 HydrophobicContact CD1-CG 3.72Å; F408-M445 HydrophobicContact CD2-CB 4.23Å; F408-M445 HydrophobicContact CD2-CE 4.37Å; F408-M445 HydrophobicContact CD2-CG 4.38Å; F408-M445 HydrophobicContact CE1-CB 4.23Å; F408-M445 HydrophobicContact CE1-CG 3.93Å; F408-M445 HydrophobicContact CE2-CB 4.19Å; F408-M445 HydrophobicContact CG-CB 4.32Å; F408-M445 HydrophobicContact CG-CE 4Å; F408-M445 HydrophobicContact CG-CG 3.97Å; F408-M445 HydrophobicContact CZ-CB 4.2Å; F408-M445 HydrophobicContact CZ-CG 4.4Å; F423-M445 HydrophobicContact CZ-CG 4.38Å; E441-M445 VanDerWaalsContact O-CB 3.31Å; E441-M445 WeakPolarHBondContact O-CB 3.38Å; E441-M445 PolarHBondContact O-N 3.44Å; R442-M445 PolarHBondContact O-N 2.76Å; M445-E448 PolarHBondContact O-N 2.96Å; M445-E448 HydrophobicContact SD-CB 4.47Å; M445-Y449 WeakPolarHBondContact O-CB 3.33Å; M445-Y449 PolarHBondContact O-N 2.88Å
446	K	96	Very high	94.9	Very high	89 Å²	89	66.2 Å²	66.2	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-45.2	173.6	-172.7	177.8	178.4	-177.1	0	111.1	F423 R442 R443 A444 Y449 E450	F423-K446 HydrophobicContact CD1-CB 4.19Å; F423-K446 HydrophobicContact CD1-CD 4.26Å; F423-K446 HydrophobicContact CD1-CG 3.99Å; F423-K446 HydrophobicContact CE1-CB 3.73Å; F423-K446 HydrophobicContact CE1-CG 4.05Å; F423-K446 HydrophobicContact CG-CG 4.45Å; F423-K446 HydrophobicContact CZ-CB 4.11Å; R442-K446 WeakPolarHBondContact O-CB 3.39Å; R442-K446 PolarHBondContact O-N 3.01Å; R443-K446 PolarHBondContact O-N 3.46Å; A444-K446 VanDerWaalsContact C-N 3.31Å; A444-K446 PolarHBondContact O-N 2.99Å; K446-Y449 WeakPolarHBondContact O-CB 3.43Å; K446-Y449 PolarHBondContact O-N 2.9Å; K446-E450 WeakPolarHBondContact O-CG 3.47Å; K446-E450 PolarHBondContact O-N 3.04Å
447	R	96.5	Very high	95.2	Very high	158 Å²	158	64.1 Å²	64.1	60%	0.596	31%	0.305	S	S	*	.	H	α-helix	trans	-61.7	-46.4	177.7	-65.8	-178.5	-171.2	106.5	-7	111.7	R443 A444 Y449 E450 E451	R443-R447 PolarHBondContact O-N 2.83Å; A444-R447 PolarHBondContact O-N 2.84Å; A444-R447 VanDerWaalsContact O-N 3.12Å; R447-Y449 PolarHBondContact O-N 3.47Å; R447-E450 PolarHBondContact O-N 2.9Å; R447-E451 WeakPolarHBondContact O-CG 3.32Å; R447-E451 PolarHBondContact O-N 3.14Å
448	E	96.5	Very high	95.3	Very high	52 Å²	52	64.3 Å²	64.3	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-56.5	-38	174.8	-73	-80.9	-168.7	0	0	112.3	F401 K404 A444 M445 F452	F401-E448 HydrophobicContact CE2-CB 4.27Å; K404-E448 HydrophobicContact CD-CG 4.49Å; K404-E448 IonicContact NZ-OE1 3.83Å; K404-E448 PolarHBondContact NZ-OE1 3.28Å; K404-E448 IonicContact NZ-OE2 2.7Å; K404-E448 PolarHBondContact NZ-OE2 3.1Å; A444-E448 WeakPolarHBondContact O-CG 3.41Å; A444-E448 PolarHBondContact O-N 3.39Å; M445-E448 PolarHBondContact O-N 2.96Å; M445-E448 HydrophobicContact SD-CB 4.47Å; E448-F452 WeakPolarHBondContact O-CB 3.46Å; E448-F452 PolarHBondContact O-N 2.87Å
449	Y	97	Very high	95.3	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-43.6	175.9	-178.8	-111.1	0	0	0	113.1	N363 F401 P419 E420 F423 M445 K446 R447 E451 F452 K453	N363-Y449 PolarHBondContact ND2-OH 3.11Å; F401-Y449 AromaticContact CE1-CD2 3.82Å; F401-Y449 HydrophobicContact CE1-CD2 3.82Å; F401-Y449 HydrophobicContact CE1-CE2 4.5Å; F401-Y449 HydrophobicContact CE2-CD2 4.33Å; F401-Y449 AromaticContact CZ-CD2 3.6Å; F401-Y449 HydrophobicContact CZ-CD2 3.6Å; F401-Y449 HydrophobicContact CZ-CG 4.21Å; P419-Y449 HydrophobicContact CB-CD1 4.46Å; P419-Y449 HydrophobicContact CB-CD2 3.57Å; P419-Y449 HydrophobicContact CB-CE1 4.39Å; P419-Y449 HydrophobicContact CB-CE2 3.49Å; P419-Y449 VanDerWaalsContact CB-CE2 3.49Å; P419-Y449 HydrophobicContact CB-CG 4.07Å; P419-Y449 HydrophobicContact CG-CD2 3.81Å; P419-Y449 HydrophobicContact CG-CE2 3.38Å; E420-Y449 WeakPolarHBondContact CA-OH 3.18Å; E420-Y449 VanDerWaalsContact CB-OH 3.22Å; E420-Y449 WeakPolarHBondContact CB-OH 3.29Å; E420-Y449 PolarHBondContact N-OH 2.9Å; E420-Y449 WeakPolarHBondContact OE2-CE1 3.24Å; E420-Y449 VanDerWaalsContact OE2-CZ 3.3Å; E420-Y449 PolarHBondContact OE2-OH 3.47Å; F423-Y449 AromaticContact CD2-CD1 3.55Å; F423-Y449 HydrophobicContact CD2-CD1 3.55Å; F423-Y449 HydrophobicContact CD2-CE1 4.17Å; F423-Y449 AromaticContact CD2-CG 3.95Å; F423-Y449 HydrophobicContact CD2-CG 3.95Å; F423-Y449 AromaticContact CE2-CD1 3.99Å; F423-Y449 HydrophobicContact CE2-CD1 3.99Å; F423-Y449 AromaticContact CE2-CG 3.9Å; F423-Y449 HydrophobicContact CE2-CG 3.9Å; M445-Y449 WeakPolarHBondContact O-CB 3.33Å; M445-Y449 PolarHBondContact O-N 2.88Å; K446-Y449 WeakPolarHBondContact O-CB 3.43Å; K446-Y449 PolarHBondContact O-N 2.9Å; R447-Y449 PolarHBondContact O-N 3.47Å; Y449-E451 VanDerWaalsContact C-N 3.34Å; Y449-E451 PolarHBondContact O-N 3.24Å; Y449-F452 AromaticContact CD2-CD1 3.93Å; Y449-F452 HydrophobicContact CD2-CD1 3.93Å; Y449-F452 AromaticContact CE2-CD1 3.82Å; Y449-F452 HydrophobicContact CE2-CD1 3.82Å; Y449-F452 HydrophobicContact CE2-CE1 4.19Å; Y449-F452 WeakPolarHBondContact O-CB 3.28Å; Y449-F452 PolarHBondContact O-N 2.93Å; Y449-K453 PolarHBondContact O-N 2.69Å
450	E	96.6	Very high	95.4	Very high	81 Å²	81	64.7 Å²	64.7	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-41.9	176.1	-63.5	-60.7	166.1	0	0	111.1	K446 R447 F452 K453 V454	K446-E450 WeakPolarHBondContact O-CG 3.47Å; K446-E450 PolarHBondContact O-N 3.04Å; R447-E450 PolarHBondContact O-N 2.9Å; E450-F452 VanDerWaalsContact C-N 3.33Å; E450-F452 PolarHBondContact O-N 2.87Å; E450-K453 WeakPolarHBondContact O-CB 2.95Å; E450-K453 PolarHBondContact O-N 3.25Å; E450-V454 WeakPolarHBondContact O-CG2 3.31Å; E450-V454 PolarHBondContact O-N 3.17Å
451	E	96.7	Very high	95.4	Very high	108 Å²	108	60.1 Å²	60.1	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-41	173.8	-71.8	-179.2	-166.3	0	0	112.1	R447 Y449 V454 R455	R447-E451 WeakPolarHBondContact O-CG 3.32Å; R447-E451 PolarHBondContact O-N 3.14Å; Y449-E451 VanDerWaalsContact C-N 3.34Å; Y449-E451 PolarHBondContact O-N 3.24Å; E451-V454 PolarHBondContact O-N 3.39Å; E451-R455 WeakPolarHBondContact O-CG 3.33Å; E451-R455 PolarHBondContact O-N 3.25Å
452	F	96.9	Very high	95.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-45	172.7	166.4	-102.2	0	0	0	111.7	L359 A362 L366 E397 F401 E448 Y449 E450 V454 R455 I456	L359-F452 HydrophobicContact CD1-CE1 4.13Å; A362-F452 HydrophobicContact CB-CZ 4.01Å; L366-F452 HydrophobicContact CD1-CE1 4.33Å; E397-F452 HydrophobicContact CB-CE2 4.16Å; F401-F452 HydrophobicContact CB-CD2 3.65Å; F401-F452 HydrophobicContact CB-CE2 3.98Å; F401-F452 HydrophobicContact CB-CG 4.04Å; F401-F452 HydrophobicContact CD1-CD1 4.21Å; F401-F452 HydrophobicContact CD1-CE1 4.43Å; F401-F452 HydrophobicContact CD1-CG 4.28Å; F401-F452 HydrophobicContact CD2-CB 3.85Å; F401-F452 HydrophobicContact CD2-CD2 4.5Å; F401-F452 HydrophobicContact CD2-CG 4.09Å; F401-F452 HydrophobicContact CE2-CB 4.32Å; F401-F452 HydrophobicContact CG-CB 4.14Å; F401-F452 HydrophobicContact CG-CD1 4.25Å; F401-F452 AromaticContact CG-CD2 4Å; F401-F452 HydrophobicContact CG-CD2 4Å; F401-F452 HydrophobicContact CG-CE2 4.5Å; F401-F452 AromaticContact CG-CG 3.85Å; F401-F452 HydrophobicContact CG-CG 3.85Å; E448-F452 WeakPolarHBondContact O-CB 3.46Å; E448-F452 PolarHBondContact O-N 2.87Å; Y449-F452 AromaticContact CD2-CD1 3.93Å; Y449-F452 HydrophobicContact CD2-CD1 3.93Å; Y449-F452 AromaticContact CE2-CD1 3.82Å; Y449-F452 HydrophobicContact CE2-CD1 3.82Å; Y449-F452 HydrophobicContact CE2-CE1 4.19Å; Y449-F452 WeakPolarHBondContact O-CB 3.28Å; Y449-F452 PolarHBondContact O-N 2.93Å; E450-F452 VanDerWaalsContact C-N 3.33Å; E450-F452 PolarHBondContact O-N 2.87Å; F452-V454 VanDerWaalsContact C-N 3.33Å; F452-V454 PolarHBondContact O-N 2.68Å; F452-R455 PolarHBondContact O-N 3.05Å; F452-I456 HydrophobicContact CD2-CG1 4.15Å; F452-I456 HydrophobicContact CE1-CG1 4.08Å; F452-I456 HydrophobicContact CE2-CD1 3.79Å; F452-I456 HydrophobicContact CE2-CG1 3.63Å; F452-I456 HydrophobicContact CZ-CD1 3.93Å; F452-I456 HydrophobicContact CZ-CG1 3.59Å; F452-I456 WeakPolarHBondContact O-CG1 3.31Å; F452-I456 PolarHBondContact O-N 2.89Å
453	K	95.8	Very high	95	Very high	30 Å²	30	61.6 Å²	61.6	13%	0.13	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-43.5	176.5	-172.8	171.9	174.6	176	0	111.2	L359 E420 Y449 E450 I456 N457 E935	L359-K453 HydrophobicContact CD2-CD 4.29Å; L359-K453 HydrophobicContact CD2-CG 4.02Å; E420-K453 IonicContact OE1-NZ 2.72Å; E420-K453 PolarHBondContact OE1-NZ 2.72Å; E420-K453 IonicContact OE2-NZ 2.91Å; Y449-K453 PolarHBondContact O-N 2.69Å; E450-K453 WeakPolarHBondContact O-CB 2.95Å; E450-K453 PolarHBondContact O-N 3.25Å; K453-I456 PolarHBondContact O-N 2.84Å; K453-N457 WeakPolarHBondContact O-CB 3.45Å; K453-N457 VanDerWaalsContact O-CG 3.27Å; K453-N457 PolarHBondContact O-N 3.28Å; K453-N457 PolarHBondContact O-ND2 3.06Å; K453-E935 IonicContact NZ-OE1 3.58Å
454	V	96.4	Very high	94.7	Very high	99 Å²	99	61.4 Å²	61.4	60%	0.6	32%	0.319	S	S	*	.	H	α-helix	trans	-61.3	-45	174.7	173.3	0	0	0	0	111.7	E450 E451 F452 N457 A458	E450-V454 WeakPolarHBondContact O-CG2 3.31Å; E450-V454 PolarHBondContact O-N 3.17Å; E451-V454 PolarHBondContact O-N 3.39Å; F452-V454 VanDerWaalsContact C-N 3.33Å; F452-V454 PolarHBondContact O-N 2.68Å; V454-N457 PolarHBondContact O-N 3.47Å; V454-A458 PolarHBondContact O-N 3.11Å
455	R	96.2	Very high	94.3	Very high	81 Å²	81	67.4 Å²	67.4	31%	0.306	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-44.9	177	-71.7	-166.8	-59.5	-81.3	1	112.1	E397 E451 F452 A458 L459	E397-R455 WeakPolarHBondContact OE2-CD 3.29Å; E397-R455 IonicContact OE2-CZ 3.64Å; E397-R455 IonicContact OE2-NE 3.89Å; E397-R455 PolarHBondContact OE2-NE 3.07Å; E451-R455 WeakPolarHBondContact O-CG 3.33Å; E451-R455 PolarHBondContact O-N 3.25Å; F452-R455 PolarHBondContact O-N 3.05Å; R455-A458 WeakPolarHBondContact O-CB 3.25Å; R455-A458 PolarHBondContact O-N 3.35Å; R455-L459 WeakPolarHBondContact O-CG 3.48Å; R455-L459 PolarHBondContact O-N 3.16Å; R455-L459 VanDerWaalsContact O-N 3.09Å
456	I	95	Very high	93.8	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-45.3	176	-66.3	-64.2	0	0	0	111	L359 A394 E397 F452 K453 A458 L459 V460	L359-I456 HydrophobicContact CB-CG2 4.13Å; L359-I456 HydrophobicContact CD1-CG2 4.42Å; A394-I456 HydrophobicContact CB-CD1 3.96Å; E397-I456 HydrophobicContact CB-CD1 3.96Å; F452-I456 HydrophobicContact CD2-CG1 4.15Å; F452-I456 HydrophobicContact CE1-CG1 4.08Å; F452-I456 HydrophobicContact CE2-CD1 3.79Å; F452-I456 HydrophobicContact CE2-CG1 3.63Å; F452-I456 HydrophobicContact CZ-CD1 3.93Å; F452-I456 HydrophobicContact CZ-CG1 3.59Å; F452-I456 WeakPolarHBondContact O-CG1 3.31Å; F452-I456 PolarHBondContact O-N 2.89Å; K453-I456 PolarHBondContact O-N 2.84Å; I456-A458 VanDerWaalsContact C-N 3.3Å; I456-A458 PolarHBondContact O-N 2.82Å; I456-L459 HydrophobicContact CD1-CD1 4.46Å; I456-L459 WeakPolarHBondContact O-CB 3.13Å; I456-L459 PolarHBondContact O-N 2.8Å; I456-L459 VanDerWaalsContact O-N 3.11Å; I456-V460 WeakPolarHBondContact O-CG2 3.46Å; I456-V460 PolarHBondContact O-N 3.3Å
457	N	94.1	Very high	93.5	Very high	81 Å²	81	69.8 Å²	69.8	43%	0.433	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-37.3	177.8	-72.6	-14.4	0	0	0	112.2	K453 V454 L459 V460 A461	K453-N457 WeakPolarHBondContact O-CB 3.45Å; K453-N457 VanDerWaalsContact O-CG 3.27Å; K453-N457 PolarHBondContact O-N 3.28Å; K453-N457 PolarHBondContact O-ND2 3.06Å; V454-N457 PolarHBondContact O-N 3.47Å; N457-L459 VanDerWaalsContact C-N 3.34Å; N457-L459 PolarHBondContact O-N 3.47Å; N457-V460 PolarHBondContact O-N 3.46Å; N457-A461 WeakPolarHBondContact O-CB 3.46Å; N457-A461 PolarHBondContact O-N 2.9Å
458	A	94.7	Very high	92.9	Very high	58 Å²	58	67.7 Å²	67.7	48%	0.479	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-39.2	173.4	0	0	0	0	0	112.2	V454 R455 I456 A461 K462	V454-A458 PolarHBondContact O-N 3.11Å; R455-A458 WeakPolarHBondContact O-CB 3.25Å; R455-A458 PolarHBondContact O-N 3.35Å; I456-A458 VanDerWaalsContact C-N 3.3Å; I456-A458 PolarHBondContact O-N 2.82Å; A458-A461 PolarHBondContact O-N 3.33Å; A458-K462 WeakPolarHBondContact O-CB 3.48Å; A458-K462 PolarHBondContact O-N 3.21Å
459	L	93.6	Very high	92.4	Very high	25 Å²	25	73.5 Å²	73.5	13%	0.131	40%	0.404	C	S	.	.	H	α-helix	trans	-64.8	-42.6	173.7	-64.3	179	0	0	0	111.9	L390 E393 E397 R455 I456 N457 K462 A463	L390-L459 HydrophobicContact CD1-CB 3.91Å; E393-L459 HydrophobicContact CB-CD1 3.91Å; E393-L459 HydrophobicContact CB-CD2 4.34Å; E393-L459 WeakPolarHBondContact OE2-CD2 3.36Å; E397-L459 HydrophobicContact CG-CD1 3.93Å; R455-L459 WeakPolarHBondContact O-CG 3.48Å; R455-L459 PolarHBondContact O-N 3.16Å; R455-L459 VanDerWaalsContact O-N 3.09Å; I456-L459 HydrophobicContact CD1-CD1 4.46Å; I456-L459 WeakPolarHBondContact O-CB 3.13Å; I456-L459 PolarHBondContact O-N 2.8Å; I456-L459 VanDerWaalsContact O-N 3.11Å; N457-L459 VanDerWaalsContact C-N 3.34Å; N457-L459 PolarHBondContact O-N 3.47Å; L459-K462 WeakPolarHBondContact O-CB 3.31Å; L459-K462 PolarHBondContact O-N 2.96Å; L459-A463 WeakPolarHBondContact O-CB 3.49Å; L459-A463 PolarHBondContact O-N 3.03Å
460	V	92.9	Very high	92	Very high	42 Å²	42	74.2 Å²	74.2	26%	0.255	41%	0.412	S	S	.	.	H	α-helix	trans	-60.4	-47.7	176.2	174.8	0	0	0	0	110.6	P358 L390 I456 N457 K462 A463 M464	P358-V460 HydrophobicContact CG-CG2 4Å; L390-V460 HydrophobicContact CD1-CG2 4.12Å; L390-V460 HydrophobicContact CD2-CG2 4.37Å; I456-V460 WeakPolarHBondContact O-CG2 3.46Å; I456-V460 PolarHBondContact O-N 3.3Å; N457-V460 PolarHBondContact O-N 3.46Å; V460-K462 VanDerWaalsContact C-N 3.34Å; V460-K462 PolarHBondContact O-N 3.07Å; V460-A463 PolarHBondContact O-N 3.37Å; V460-M464 WeakPolarHBondContact O-CG 3.18Å; V460-M464 PolarHBondContact O-N 2.98Å
461	A	92.5	Very high	91.7	Very high	57 Å²	57	72.3 Å²	72.3	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-38.8	177.8	0	0	0	0	0	112.7	N457 A458 M464	N457-A461 WeakPolarHBondContact O-CB 3.46Å; N457-A461 PolarHBondContact O-N 2.9Å; A458-A461 PolarHBondContact O-N 3.33Å; A461-M464 PolarHBondContact O-N 3.06Å
462	K	91.4	Very high	91.4	Very high	94 Å²	94	71.4 Å²	71.4	41%	0.409	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.2	176.9	-171	167.3	-156.7	0	111.3	E393 A458 L459 V460 M464 K465	E393-K462 IonicContact OE1-NZ 2.54Å; E393-K462 PolarHBondContact OE1-NZ 3.25Å; E393-K462 IonicContact OE2-NZ 2.67Å; E393-K462 PolarHBondContact OE2-NZ 3.24Å; A458-K462 WeakPolarHBondContact O-CB 3.48Å; A458-K462 PolarHBondContact O-N 3.21Å; L459-K462 WeakPolarHBondContact O-CB 3.31Å; L459-K462 PolarHBondContact O-N 2.96Å; V460-K462 VanDerWaalsContact C-N 3.34Å; V460-K462 PolarHBondContact O-N 3.07Å; K462-M464 VanDerWaalsContact C-N 3.27Å; K462-M464 PolarHBondContact O-N 3.47Å; K462-K465 PolarHBondContact O-N 2.86Å; K462-K465 VanDerWaalsContact O-N 3.11Å
463	A	89.3	Confident	91	Very high	19 Å²	19	72.5 Å²	72.5	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-23.1	-177.3	0	0	0	0	0	114.3	L390 L459 V460 K465	L390-A463 HydrophobicContact CB-CB 3.84Å; L390-A463 HydrophobicContact CD1-CB 4Å; L390-A463 HydrophobicContact CD2-CB 3.68Å; L390-A463 HydrophobicContact CG-CB 4.04Å; L459-A463 WeakPolarHBondContact O-CB 3.49Å; L459-A463 PolarHBondContact O-N 3.03Å; V460-A463 PolarHBondContact O-N 3.37Å; A463-K465 PolarHBondContact O-N 3.26Å
464	M	87.9	Confident	90.4	Very high	145 Å²	145	79.3 Å²	79.3	71%	0.714	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20	173.7	-61.9	-174.3	93.3	0	0	112.8	V460 A461 K462	V460-M464 WeakPolarHBondContact O-CG 3.18Å; V460-M464 PolarHBondContact O-N 2.98Å; A461-M464 PolarHBondContact O-N 3.06Å; K462-M464 VanDerWaalsContact C-N 3.27Å; K462-M464 PolarHBondContact O-N 3.47Å
465	K	88.4	Confident	89.6	Confident	172 Å²	172	77.6 Å²	77.6	75%	0.748	42%	0.421	S	S	*	.	S	Bend	trans	-105.2	86.1	179.4	-62	179	-175	175.8	0	110.1	K462 A463 P467	K462-K465 PolarHBondContact O-N 2.86Å; K462-K465 VanDerWaalsContact O-N 3.11Å; A463-K465 PolarHBondContact O-N 3.26Å; K465-P467 WeakPolarHBondContact O-CD 3.5Å
466	V	85.4	Confident	89	Confident	104 Å²	104	76.3 Å²	76.3	63%	0.63	43%	0.433	S	S	*	.			trans	-70.4	122.8	-179.2	-174.1	0	0	0	0	110.6	W471	V466-W471 HydrophobicContact CB-CZ2 4.43Å; V466-W471 HydrophobicContact CG1-CZ2 4.49Å; V466-W471 HydrophobicContact CG2-CZ2 4.2Å
467	P	88.7	Confident	88.7	Confident	57 Å²	57	78.2 Å²	78.2	37%	0.37	45%	0.445	S	S	.	.			trans	-65.9	144.8	175	-17.8	30.3	0	0	0	111.9	K465 E469 G470 W471	K465-P467 WeakPolarHBondContact O-CD 3.5Å; P467-E469 VanDerWaalsContact C-N 3.27Å; P467-E469 PolarHBondContact O-N 3.46Å; P467-G470 PolarHBondContact O-N 3.27Å; P467-G470 VanDerWaalsContact O-N 3.09Å; P467-W471 HydrophobicContact CG-CD2 4.47Å; P467-W471 HydrophobicContact CG-CE3 4Å; P467-W471 HydrophobicContact CG-CH2 4.44Å; P467-W471 HydrophobicContact CG-CZ3 3.98Å
468	A	85.7	Confident	88.6	Confident	114 Å²	114	78.7 Å²	78.7	94%	0.942	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.7	179.7	0	0	0	0	0	113.3	G470	A468-G470 PolarHBondContact O-N 3.29Å
469	E	84.8	Confident	88.5	Confident	174 Å²	174	76.2 Å²	76.2	81%	0.813	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.7	178.2	-59.5	-175.4	-178.5	0	0	113	P467	P467-E469 VanDerWaalsContact C-N 3.27Å; P467-E469 PolarHBondContact O-N 3.46Å
470	G	88.2	Confident	88.5	Confident	16 Å²	16	76.3 Å²	76.3	17%	0.165	43%	0.433	C	S	.	.			trans	85.1	178.3	-170.2	0	0	0	0	0	112.6	P467 A468	P467-G470 PolarHBondContact O-N 3.27Å; P467-G470 VanDerWaalsContact O-N 3.09Å; A468-G470 PolarHBondContact O-N 3.29Å
471	W	91.7	Very high	88.4	Confident	42 Å²	42	74.5 Å²	74.5	16%	0.159	42%	0.422	C	S	.	.			trans	-76.4	141.9	179.4	-63.3	106.1	0	0	0	111.1	M389 V466 P467 W479 N482	M389-W471 HydrophobicContact CB-CB 4.29Å; M389-W471 HydrophobicContact CB-CD2 4.45Å; M389-W471 HydrophobicContact CB-CG 4.12Å; M389-W471 HydrophobicContact CG-CB 4.48Å; M389-W471 HydrophobicContact SD-CB 3.61Å; M389-W471 HydrophobicContact SD-CD2 4Å; M389-W471 HydrophobicContact SD-CE3 3.77Å; M389-W471 HydrophobicContact SD-CG 3.96Å; V466-W471 HydrophobicContact CB-CZ2 4.43Å; V466-W471 HydrophobicContact CG1-CZ2 4.49Å; V466-W471 HydrophobicContact CG2-CZ2 4.2Å; P467-W471 HydrophobicContact CG-CD2 4.47Å; P467-W471 HydrophobicContact CG-CE3 4Å; P467-W471 HydrophobicContact CG-CH2 4.44Å; P467-W471 HydrophobicContact CG-CZ3 3.98Å; W471-W479 HydrophobicContact CB-CB 3.68Å; W471-W479 HydrophobicContact CB-CG 4.23Å; W471-W479 WeakPolarHBondContact O-CB 3.36Å; W471-W479 PolarHBondContact O-N 3.33Å; W471-N482 WeakPolarHBondContact CB-OD1 3.36Å; W471-N482 PolarHBondContact N-ND2 3.47Å; W471-N482 PolarHBondContact N-OD1 2.95Å; W471-N482 PolarHBondContact O-ND2 3.49Å
472	I	89.8	Confident	88.3	Confident	88 Å²	88	74.9 Å²	74.9	45%	0.451	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-122.8	132.9	177.3	-59.2	174.2	0	0	0	107.5	M389 T477	M389-I472 WeakPolarHBondContact CE-O 3.36Å; I472-T477 WeakPolarHBondContact CA-O 3.45Å
473	M	87.7	Confident	88.2	Confident	23 Å²	23	74.4 Å²	74.4	11%	0.113	42%	0.419	C	S	.	.			trans	-73.3	165.8	178.5	-66.4	-172.8	63	0	0	111.8	L7 I20 F392 D475 G476 T477 W479	L7-M473 HydrophobicContact CB-CE 4.1Å; L7-M473 HydrophobicContact CD2-CE 3.67Å; L7-M473 HydrophobicContact CD2-SD 3.69Å; I20-M473 HydrophobicContact CD1-SD 4Å; I20-M473 HydrophobicContact CG2-CE 3.79Å; I20-M473 HydrophobicContact CG2-SD 3.72Å; F392-M473 HydrophobicContact CE1-CE 4.06Å; F392-M473 HydrophobicContact CZ-CE 4.26Å; M473-D475 WeakPolarHBondContact CB-OD1 3.49Å; M473-D475 PolarHBondContact O-N 3.01Å; M473-D475 VanDerWaalsContact O-N 3.11Å; M473-G476 PolarHBondContact O-N 2.98Å; M473-T477 PolarHBondContact N-O 3.14Å; M473-W479 HydrophobicContact CE-CZ3 4.43Å; M473-W479 HydrophobicContact CG-CE3 3.92Å; M473-W479 HydrophobicContact SD-CE3 3.74Å; M473-W479 HydrophobicContact SD-CZ3 4.1Å
474	K	83.5	Confident	88.1	Confident	174 Å²	174	77.5 Å²	77.5	76%	0.757	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.2	-179.4	-68	-178.1	179.2	175.6	0	113.4	G476	K474-G476 VanDerWaalsContact C-N 3.34Å
475	D	80.6	Confident	88.1	Confident	62 Å²	62	79.9 Å²	79.9	33%	0.332	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.4	177.8	72.8	-17.7	0	0	0	113.8	I20 R21 M473 T477	I20-D475 WeakPolarHBondContact CG2-OD2 3.44Å; R21-D475 WeakPolarHBondContact O-CB 3.44Å; M473-D475 WeakPolarHBondContact CB-OD1 3.49Å; M473-D475 PolarHBondContact O-N 3.01Å; M473-D475 VanDerWaalsContact O-N 3.11Å; D475-T477 WeakPolarHBondContact OD1-CB 3.35Å; D475-T477 PolarHBondContact OD1-N 3.18Å; D475-T477 PolarHBondContact OD1-OG1 2.99Å; D475-T477 WeakPolarHBondContact OD2-CG2 3.41Å
476	G	84	Confident	88.3	Confident	54 Å²	54	74.2 Å²	74.2	56%	0.557	42%	0.415	S	S	*	.	S	Bend	trans	87.2	-0.2	179.8	0	0	0	0	0	114.7	M473 K474	M473-G476 PolarHBondContact O-N 2.98Å; K474-G476 VanDerWaalsContact C-N 3.34Å
477	T	88.2	Confident	88.6	Confident	41 Å²	41	69.3 Å²	69.3	25%	0.252	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-78	147.2	175	61.9	0	0	0	0	111.8	I20 I472 M473 D475	I20-T477 HydrophobicContact CG2-CG2 4.18Å; I20-T477 WeakPolarHBondContact CG2-OG1 3.32Å; I472-T477 WeakPolarHBondContact CA-O 3.45Å; M473-T477 PolarHBondContact N-O 3.14Å; D475-T477 WeakPolarHBondContact OD1-CB 3.35Å; D475-T477 PolarHBondContact OD1-N 3.18Å; D475-T477 PolarHBondContact OD1-OG1 2.99Å; D475-T477 WeakPolarHBondContact OD2-CG2 3.41Å
478	P	91	Very high	88.9	Confident	92 Å²	92	68 Å²	68	60%	0.597	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-67.3	138.6	174.2	28	-33.9	0	0	0	110.7	P480	P478-P480 WeakPolarHBondContact O-CD 3.44Å
479	W	93.9	Very high	89.2	Confident	5 Å²	5	62.7 Å²	62.7	2%	0.019	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61.7	122	176.6	177.3	-118.1	0	0	0	110.7	L7 A387 M389 F392 W471 M473 G481 N482 M490	L7-W479 HydrophobicContact CD2-CE3 4.24Å; L7-W479 HydrophobicContact CD2-CH2 4.24Å; L7-W479 HydrophobicContact CD2-CZ3 3.55Å; A387-W479 PolarHBondContact O-NE1 2.83Å; M389-W479 HydrophobicContact CB-CD2 4.2Å; M389-W479 HydrophobicContact CB-CG 4.29Å; M389-W479 HydrophobicContact CG-CD2 4.38Å; M389-W479 HydrophobicContact CG-CE3 4.49Å; F392-W479 HydrophobicContact CB-CH2 3.69Å; F392-W479 HydrophobicContact CB-CZ2 4.34Å; F392-W479 HydrophobicContact CB-CZ3 4.26Å; F392-W479 HydrophobicContact CD1-CH2 4.25Å; F392-W479 AromaticContact CD1-CZ3 3.98Å; F392-W479 HydrophobicContact CD1-CZ3 3.98Å; F392-W479 HydrophobicContact CD2-CH2 4.06Å; F392-W479 HydrophobicContact CD2-CZ3 4.34Å; F392-W479 HydrophobicContact CE1-CZ3 4.43Å; F392-W479 AromaticContact CG-CH2 3.74Å; F392-W479 HydrophobicContact CG-CH2 3.74Å; F392-W479 AromaticContact CG-CZ3 3.93Å; F392-W479 HydrophobicContact CG-CZ3 3.93Å; W471-W479 HydrophobicContact CB-CB 3.68Å; W471-W479 HydrophobicContact CB-CG 4.23Å; W471-W479 WeakPolarHBondContact O-CB 3.36Å; W471-W479 PolarHBondContact O-N 3.33Å; M473-W479 HydrophobicContact CE-CZ3 4.43Å; M473-W479 HydrophobicContact CG-CE3 3.92Å; M473-W479 HydrophobicContact SD-CE3 3.74Å; M473-W479 HydrophobicContact SD-CZ3 4.1Å; W479-G481 VanDerWaalsContact NE1-CA 3.3Å; W479-G481 PolarHBondContact O-N 2.68Å; W479-G481 VanDerWaalsContact O-N 3.16Å; W479-N482 VanDerWaalsContact O-CG 3.31Å; W479-N482 PolarHBondContact O-N 3.23Å; W479-N482 PolarHBondContact O-ND2 2.84Å; W479-M490 HydrophobicContact CH2-CE 4.17Å; W479-M490 HydrophobicContact CH2-SD 3.98Å; W479-M490 HydrophobicContact CZ2-CE 3.72Å; W479-M490 HydrophobicContact CZ2-SD 3.98Å; W479-M490 HydrophobicContact CZ3-SD 4.43Å
480	P	92.1	Very high	89.7	Confident	27 Å²	27	54.4 Å²	54.4	18%	0.175	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.5	-176.5	-19.2	29.7	0	0	0	113.4	L7 A9 I20 P478 N482 H487 P488 M490	L7-P480 HydrophobicContact CD2-CG 4.47Å; A9-P480 HydrophobicContact CB-CB 4.05Å; A9-P480 HydrophobicContact CB-CG 3.72Å; I20-P480 HydrophobicContact CD1-CG 3.78Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å; P480-N482 PolarHBondContact O-N 2.99Å; P480-H487 VanDerWaalsContact O-CB 3.32Å; P480-H487 WeakPolarHBondContact O-CB 3.44Å; P480-P488 HydrophobicContact CB-CG 3.75Å; P480-M490 HydrophobicContact CB-CG 4.27Å; P480-M490 HydrophobicContact CB-SD 3.69Å; P480-M490 HydrophobicContact CG-SD 3.91Å
481	G	91.2	Very high	89.9	Confident	4 Å²	4	53.7 Å²	53.7	4%	0.041	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	15.6	179	0	0	0	0	0	115.5	W479 N483	W479-G481 VanDerWaalsContact NE1-CA 3.3Å; W479-G481 PolarHBondContact O-N 2.68Å; W479-G481 VanDerWaalsContact O-N 3.16Å; G481-N483 PolarHBondContact O-N 3.24Å; G481-N483 VanDerWaalsContact O-N 3.12Å
482	N	89.9	Confident	89.9	Confident	66 Å²	66	52.3 Å²	52.3	35%	0.353	28%	0.281	S	S	.	.	S	Bend	trans	-56	-29.5	-178.4	-87.6	-26.1	0	0	0	113.7	W471 W479 P480	W471-N482 WeakPolarHBondContact CB-OD1 3.36Å; W471-N482 PolarHBondContact N-ND2 3.47Å; W471-N482 PolarHBondContact N-OD1 2.95Å; W471-N482 PolarHBondContact O-ND2 3.49Å; W479-N482 VanDerWaalsContact O-CG 3.31Å; W479-N482 PolarHBondContact O-N 3.23Å; W479-N482 PolarHBondContact O-ND2 2.84Å; P480-N482 PolarHBondContact O-N 2.99Å
483	N	89.8	Confident	90	Very high	83 Å²	83	50 Å²	50	44%	0.444	27%	0.271	S	S	.	.	S	Bend	trans	-111.3	110.2	171.1	-175.7	-10.4	0	0	0	110.8	G481 R485 D486 H487	G481-N483 PolarHBondContact O-N 3.24Å; G481-N483 VanDerWaalsContact O-N 3.12Å; N483-R485 PolarHBondContact O-N 3.29Å; N483-R485 VanDerWaalsContact O-N 3.1Å; N483-R485 PolarHBondContact OD1-N 3.05Å; N483-D486 CarbonylContact O-C 3.49Å; N483-D486 VanDerWaalsContact O-C 3.3Å; N483-D486 PolarHBondContact O-N 3.42Å; N483-D486 VanDerWaalsContact O-N 3.15Å; N483-D486 PolarHBondContact OD1-N 3.5Å; N483-H487 PolarHBondContact O-ND1 2.93Å
484	T	87.3	Confident	90	Very high	85 Å²	85	49.9 Å²	49.9	52%	0.521	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.9	-177.5	59.9	0	0	0	0	114.1	G386 H487	G386-T484 WeakPolarHBondContact O-CG2 3.18Å; T484-H487 PolarHBondContact O-CE1 3.27Å; T484-H487 PolarHBondContact O-ND1 3.45Å
485	R	88.1	Confident	90.2	Very high	194 Å²	194	41.8 Å²	41.8	73%	0.732	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-18.7	177.2	-64	-172.7	178.8	-173.5	0.5	114.1	N483 K518 R519 P520	N483-R485 PolarHBondContact O-N 3.29Å; N483-R485 VanDerWaalsContact O-N 3.1Å; N483-R485 PolarHBondContact OD1-N 3.05Å; R485-K518 CarbonylContact O-C 3.43Å; R485-R519 CarbonylContact O-C 3.52Å; R485-R519 WeakPolarHBondContact O-CA 3.03Å; R485-P520 WeakPolarHBondContact O-CD 3.15Å
486	D	92.2	Very high	90.1	Very high	53 Å²	53	39.1 Å²	39.1	28%	0.283	22%	0.223	S	C	.	.	S	Bend	trans	-141.2	91.1	-179.2	-168.1	-2.6	0	0	0	109.9	N483 K518 R519 P520	N483-D486 CarbonylContact O-C 3.49Å; N483-D486 VanDerWaalsContact O-C 3.3Å; N483-D486 PolarHBondContact O-N 3.42Å; N483-D486 VanDerWaalsContact O-N 3.15Å; N483-D486 PolarHBondContact OD1-N 3.5Å; D486-K518 VanDerWaalsContact CA-O 3.29Å; D486-K518 WeakPolarHBondContact CA-O 3.27Å; D486-R519 WeakPolarHBondContact OD1-CD 3.41Å; D486-R519 IonicContact OD1-CZ 2.93Å; D486-R519 IonicContact OD1-NE 3.66Å; D486-R519 PolarHBondContact OD1-NE 2.97Å; D486-P520 HydrophobicContact CB-CG 4.2Å
487	H	92.8	Very high	89.6	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.009	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-144.7	150.1	175.9	54.5	-95.5	0	0	0	111.4	P480 N483 T484 R516 K518	P480-H487 VanDerWaalsContact O-CB 3.32Å; P480-H487 WeakPolarHBondContact O-CB 3.44Å; N483-H487 PolarHBondContact O-ND1 2.93Å; T484-H487 PolarHBondContact O-CE1 3.27Å; T484-H487 PolarHBondContact O-ND1 3.45Å; H487-R516 PolarHBondContact CD2-O 3.38Å; H487-R516 PolarHBondContact NE2-O 3.01Å; H487-R516 VanDerWaalsContact NE2-O 3.17Å; H487-K518 PolarHBondContact N-O 3.01Å; H487-K518 PolarHBondContact O-N 2.77Å
488	P	93.8	Very high	88.7	Confident	30 Å²	30	44.1 Å²	44.1	20%	0.195	24%	0.235	C	C	.	.			trans	-67.4	161.9	172.8	30.5	-35.7	0	0	0	111.6	A9 G10 P480	A9-P488 HydrophobicContact CB-CG 4.41Å; G10-P488 WeakPolarHBondContact O-CB 3.14Å; P480-P488 HydrophobicContact CB-CG 3.75Å
489	G	93.6	Very high	87.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.5	170	0	0	0	0	0	110.3	A9 G10 S515	A9-G489 CarbonylContact C-O 3.51Å; A9-G489 WeakPolarHBondContact CA-O 3.22Å; G10-G489 PolarHBondContact N-O 3.38Å; G10-G489 PolarHBondContact O-N 3.44Å; G489-S515 CarbonylContact C-O 3.17Å; G489-S515 WeakPolarHBondContact CA-O 3.32Å
490	M	93.6	Very high	86.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.6	-177.3	-60.8	-178.4	-71.5	0	0	110.2	L7 V8 A9 A387 W479 P480 V514 S515	L7-M490 HydrophobicContact CD1-CB 4.18Å; L7-M490 HydrophobicContact CD2-SD 4.42Å; V8-M490 WeakPolarHBondContact O-CA 3.42Å; A9-M490 HydrophobicContact CB-CG 4.07Å; A387-M490 HydrophobicContact CB-CE 3.86Å; W479-M490 HydrophobicContact CH2-CE 4.17Å; W479-M490 HydrophobicContact CH2-SD 3.98Å; W479-M490 HydrophobicContact CZ2-CE 3.72Å; W479-M490 HydrophobicContact CZ2-SD 3.98Å; W479-M490 HydrophobicContact CZ3-SD 4.43Å; P480-M490 HydrophobicContact CB-CG 4.27Å; P480-M490 HydrophobicContact CB-SD 3.69Å; P480-M490 HydrophobicContact CG-SD 3.91Å; M490-V514 WeakPolarHBondContact O-CA 3.33Å; M490-S515 PolarHBondContact N-O 3.42Å; M490-S515 PolarHBondContact O-N 2.85Å
491	I	94	Very high	86	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.4	174.2	-58.3	178.8	0	0	0	108.9	V8 V512 Y513 V537 L719 A722 I723 I726	V8-I491 PolarHBondContact N-O 3.07Å; V8-I491 PolarHBondContact O-N 2.81Å; I491-V512 HydrophobicContact CG2-CG1 3.98Å; I491-Y513 WeakPolarHBondContact CA-O 3.47Å; I491-V537 HydrophobicContact CD1-CG2 3.59Å; I491-L719 HydrophobicContact CG2-CD2 4.11Å; I491-A722 HydrophobicContact CD1-CB 3.55Å; I491-I723 HydrophobicContact CD1-CG1 3.95Å; I491-I723 HydrophobicContact CG1-CG1 4.28Å; I491-I726 HydrophobicContact CD1-CD1 3.87Å; I491-I726 HydrophobicContact CG1-CD1 3.78Å
492	Q	91.1	Very high	85.8	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.9	169.8	-179.9	64.5	-3.8	0	0	110.3	G6 L7 F392 F494 V512 Y513	G6-Q492 PolarHBondContact O-OE1 3.15Å; L7-Q492 HydrophobicContact CD1-CB 3.84Å; F392-Q492 HydrophobicContact CE2-CB 4.02Å; F392-Q492 HydrophobicContact CE2-CG 4.01Å; Q492-F494 HydrophobicContact CB-CE2 4.16Å; Q492-F494 HydrophobicContact CB-CZ 4.33Å; Q492-F494 HydrophobicContact CG-CD1 4.22Å; Q492-F494 HydrophobicContact CG-CD2 4.11Å; Q492-F494 HydrophobicContact CG-CE1 3.8Å; Q492-F494 HydrophobicContact CG-CE2 3.68Å; Q492-F494 HydrophobicContact CG-CG 4.38Å; Q492-F494 HydrophobicContact CG-CZ 3.52Å; Q492-V512 CarbonylContact O-C 3.56Å; Q492-V512 WeakPolarHBondContact O-CA 3.37Å; Q492-Y513 HydrophobicContact CB-CD1 4.45Å; Q492-Y513 PolarHBondContact N-O 3.06Å; Q492-Y513 PolarHBondContact O-N 3.35Å
493	V	90.9	Very high	85.5	Confident	39 Å²	39	47.1 Å²	47.1	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.3	172.9	-174.9	0	0	0	0	108.4	V512 L719	V493-V512 HydrophobicContact CG1-CG2 4.5Å; V493-V512 HydrophobicContact CG2-CG1 4.39Å; V493-V512 HydrophobicContact CG2-CG2 4.32Å; V493-L719 HydrophobicContact CG2-CD2 4.37Å
494	F	88.8	Confident	85.3	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.4	169.4	-56.8	-78.2	0	0	0	109.3	F392 L395 A399 Q492 L511	F392-F494 HydrophobicContact CD2-CZ 4.18Å; F392-F494 HydrophobicContact CE2-CE2 4.34Å; F392-F494 AromaticContact CE2-CZ 3.66Å; F392-F494 HydrophobicContact CE2-CZ 3.66Å; F392-F494 HydrophobicContact CZ-CZ 4.09Å; L395-F494 HydrophobicContact CB-CE2 4.34Å; A399-F494 HydrophobicContact CB-CB 4.12Å; A399-F494 HydrophobicContact CB-CG 4.49Å; Q492-F494 HydrophobicContact CB-CE2 4.16Å; Q492-F494 HydrophobicContact CB-CZ 4.33Å; Q492-F494 HydrophobicContact CG-CD1 4.22Å; Q492-F494 HydrophobicContact CG-CD2 4.11Å; Q492-F494 HydrophobicContact CG-CE1 3.8Å; Q492-F494 HydrophobicContact CG-CE2 3.68Å; Q492-F494 HydrophobicContact CG-CG 4.38Å; Q492-F494 HydrophobicContact CG-CZ 3.52Å; F494-L511 HydrophobicContact CB-CB 4.12Å; F494-L511 HydrophobicContact CB-CD2 4.24Å; F494-L511 HydrophobicContact CB-CG 4.36Å; F494-L511 HydrophobicContact CD2-CD2 4.35Å; F494-L511 HydrophobicContact CD2-CG 4.39Å; F494-L511 PolarHBondContact N-O 3.16Å; F494-L511 PolarHBondContact O-N 2.97Å; F494-L511 VanDerWaalsContact O-O 3.09Å
495	L	87.3	Confident	85.3	Confident	3 Å²	3	47 Å²	47	2%	0.016	26%	0.261	C	S	.	.	S	Bend	trans	53.7	-170.5	179.5	-55.3	175.4	0	0	0	113.1	L369 A399 A402 R403 G499 L508	L369-L495 HydrophobicContact CD1-CD1 3.89Å; A399-L495 HydrophobicContact CB-CD1 4.36Å; A399-L495 HydrophobicContact CB-CD2 4.48Å; A399-L495 HydrophobicContact CB-CG 4.18Å; A402-L495 HydrophobicContact CB-CD1 4.14Å; R403-L495 HydrophobicContact CG-CD2 3.78Å; L495-G499 WeakPolarHBondContact CA-O 3.21Å; L495-G499 PolarHBondContact N-O 2.89Å; L495-G499 WeakPolarHBondContact O-CA 3.46Å; L495-L508 HydrophobicContact CB-CB 4.38Å; L495-L508 HydrophobicContact CD1-CB 4.32Å; L495-L508 HydrophobicContact CD1-CD2 4.17Å
496	G	79.7	Confident	85.4	Confident	7 Å²	7	41.7 Å²	41.7	7%	0.072	25%	0.247	C	C	.	.	S	Bend	trans	78.4	-171.1	-173.1	0	0	0	0	0	112.9	S498 G499 L508	G496-S498 PolarHBondContact O-N 3.39Å; G496-G499 PolarHBondContact O-N 2.87Å; G496-L508 VanDerWaalsContact CA-O 3.31Å; G496-L508 WeakPolarHBondContact CA-O 3.34Å; G496-L508 PolarHBondContact N-O 3.35Å
497	H	73.5	Confident	85.4	Confident	144 Å²	144	42.6 Å²	42.6	67%	0.667	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.5	-172.3	-167.4	69.3	0	0	0	114.6	E507	H497-E507 IonicContact CE1-OE1 3.57Å; H497-E507 IonicContact CG-OE1 2.74Å; H497-E507 IonicContact ND1-OE1 3.53Å; H497-E507 PolarHBondContact ND1-OE1 3.45Å
498	S	68.8	Low	85.4	Confident	56 Å²	56	42.7 Å²	42.7	39%	0.392	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-2.3	179.8	58.2	0	0	0	0	114.5	G496	G496-S498 PolarHBondContact O-N 3.39Å
499	G	66.9	Low	85.4	Confident	31 Å²	31	41.3 Å²	41.3	32%	0.32	24%	0.242	S	C	.	.	S	Bend	trans	-119.1	14.3	-163	0	0	0	0	0	115.8	L495 G496	L495-G499 WeakPolarHBondContact CA-O 3.21Å; L495-G499 PolarHBondContact N-O 2.89Å; L495-G499 WeakPolarHBondContact O-CA 3.46Å; G496-G499 PolarHBondContact O-N 2.87Å
500	G	70.2	Confident	85.4	Confident	25 Å²	25	44.9 Å²	44.9	26%	0.258	26%	0.255	S	S	.	.			trans	107.2	140.4	176.8	0	0	0	0	0	114
501	H	83.6	Confident	85.4	Confident	86 Å²	86	44.9 Å²	44.9	40%	0.398	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-87.7	161.8	175	-61.4	84.6	0	0	0	110.9	R403 G505 N506	R403-H501 PolarHBondContact NE-O 3.45Å; R403-H501 PolarHBondContact NH2-O 2.95Å; H501-G505 PolarHBondContact CD2-O 3.17Å; H501-G505 VanDerWaalsContact CD2-O 3.23Å; H501-N506 WeakPolarHBondContact CA-O 3.48Å
502	D	86	Confident	85.5	Confident	16 Å²	16	44.9 Å²	44.9	9%	0.086	26%	0.255	C	S	.	.			trans	-66.7	178.3	171.6	73	11	0	0	0	111.4	P407 E504 G505 N506 L508	P407-D502 HydrophobicContact CG-CB 4.22Å; D502-E504 PolarHBondContact O-N 3.29Å; D502-E504 VanDerWaalsContact OD1-CA 3.26Å; D502-E504 WeakPolarHBondContact OD1-CA 3.23Å; D502-E504 WeakPolarHBondContact OD1-CB 3.45Å; D502-E504 PolarHBondContact OD1-N 3.47Å; D502-G505 PolarHBondContact O-N 3.06Å; D502-G505 PolarHBondContact OD1-N 2.95Å; D502-N506 PolarHBondContact N-O 3.12Å; D502-N506 PolarHBondContact OD1-N 3.46Å; D502-N506 WeakPolarHBondContact OD2-CB 3.23Å; D502-N506 PolarHBondContact OD2-ND2 3.24Å; D502-L508 HydrophobicContact CB-CD1 3.54Å; D502-L508 HydrophobicContact CB-CG 4.31Å
503	T	83.4	Confident	85.7	Confident	98 Å²	98	44.3 Å²	44.3	60%	0.601	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.7	177.4	51.2	0	0	0	0	114	R403 K404	R403-T503 PolarHBondContact O-N 3.2Å; K404-T503 HydrophobicContact CG-CG2 4.15Å
504	E	86.2	Confident	86	Confident	117 Å²	117	42.4 Å²	42.4	55%	0.547	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-2.3	179.8	-61.2	-178.7	178.5	0	0	112.4	P407 D502	P407-E504 HydrophobicContact CB-CG 4.47Å; D502-E504 PolarHBondContact O-N 3.29Å; D502-E504 VanDerWaalsContact OD1-CA 3.26Å; D502-E504 WeakPolarHBondContact OD1-CA 3.23Å; D502-E504 WeakPolarHBondContact OD1-CB 3.45Å; D502-E504 PolarHBondContact OD1-N 3.47Å
505	G	87.5	Confident	86.3	Confident	48 Å²	48	41.4 Å²	41.4	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	87.9	5.5	-178	0	0	0	0	0	115.3	H501 D502	H501-G505 PolarHBondContact CD2-O 3.17Å; H501-G505 VanDerWaalsContact CD2-O 3.23Å; D502-G505 PolarHBondContact O-N 3.06Å; D502-G505 PolarHBondContact OD1-N 2.95Å
506	N	90.2	Very high	86.6	Confident	84 Å²	84	42 Å²	42	45%	0.449	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-84.7	153.6	177.2	-44.4	-66.1	0	0	0	111.9	H501 D502	H501-N506 WeakPolarHBondContact CA-O 3.48Å; D502-N506 PolarHBondContact N-O 3.12Å; D502-N506 PolarHBondContact OD1-N 3.46Å; D502-N506 WeakPolarHBondContact OD2-CB 3.23Å; D502-N506 PolarHBondContact OD2-ND2 3.24Å
507	E	91.3	Very high	87.4	Confident	71 Å²	71	42 Å²	42	33%	0.332	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-73	140.5	173.9	-62.8	-173.7	175	0	0	111.8	V375 H497	V375-E507 HydrophobicContact CG2-CB 4.44Å; H497-E507 IonicContact CE1-OE1 3.57Å; H497-E507 IonicContact CG-OE1 2.74Å; H497-E507 IonicContact ND1-OE1 3.53Å; H497-E507 PolarHBondContact ND1-OE1 3.45Å
508	L	92.7	Very high	88.3	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-98	157.4	169.4	-69.2	93.3	0	0	0	111.2	A402 R403 V406 L495 G496 D502 R510	A402-L508 HydrophobicContact CB-CD2 4.35Å; R403-L508 HydrophobicContact CG-CD1 4.28Å; V406-L508 HydrophobicContact CB-CD2 3.9Å; V406-L508 HydrophobicContact CG1-CD2 4.27Å; V406-L508 HydrophobicContact CG2-CD2 3.88Å; L495-L508 HydrophobicContact CB-CB 4.38Å; L495-L508 HydrophobicContact CD1-CB 4.32Å; L495-L508 HydrophobicContact CD1-CD2 4.17Å; G496-L508 VanDerWaalsContact CA-O 3.31Å; G496-L508 WeakPolarHBondContact CA-O 3.34Å; G496-L508 PolarHBondContact N-O 3.35Å; D502-L508 HydrophobicContact CB-CD1 3.54Å; D502-L508 HydrophobicContact CB-CG 4.31Å; L508-R510 PolarHBondContact O-N 3.42Å
509	P	94	Very high	89.4	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.013	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-54.7	138.7	168.7	-23.2	34.2	0	0	0	111.3	L369 V375 V378	L369-P509 HydrophobicContact CD2-CB 3.93Å; V375-P509 HydrophobicContact CG1-CG 4.45Å; V378-P509 HydrophobicContact CB-CB 4.15Å; V378-P509 HydrophobicContact CB-CG 4.32Å; V378-P509 HydrophobicContact CG1-CB 4.07Å; V378-P509 HydrophobicContact CG1-CG 4.39Å
510	R	93.1	Very high	90.4	Very high	76 Å²	76	38.1 Å²	38.1	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.6	176.9	57.1	169.9	49.6	174	-5.7	111.5	S379 C380 L508 L541	S379-R510 WeakPolarHBondContact OG-CD 3.4Å; S379-R510 WeakPolarHBondContact OG-CG 3.5Å; C380-R510 PolarHBondContact N-O 2.84Å; L508-R510 PolarHBondContact O-N 3.42Å; R510-L541 PolarHBondContact NH1-O 3.04Å; R510-L541 VanDerWaalsContact NH1-O 3.08Å
511	L	95.5	Very high	91.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111.8	175.6	174.7	65.3	0	0	0	109.4	V365 L369 C380 V382 L395 F494	V365-L511 HydrophobicContact CG1-CD1 3.77Å; V365-L511 HydrophobicContact CG1-CD2 4Å; L369-L511 HydrophobicContact CD2-CB 4.49Å; C380-L511 HydrophobicContact CB-CD1 3.82Å; C380-L511 CarbonylContact O-C 3.54Å; C380-L511 WeakPolarHBondContact O-CA 3.28Å; V382-L511 HydrophobicContact CG2-CD1 3.79Å; L395-L511 HydrophobicContact CD2-CD2 4.41Å; F494-L511 HydrophobicContact CB-CB 4.12Å; F494-L511 HydrophobicContact CB-CD2 4.24Å; F494-L511 HydrophobicContact CB-CG 4.36Å; F494-L511 HydrophobicContact CD2-CD2 4.35Å; F494-L511 HydrophobicContact CD2-CG 4.39Å; F494-L511 PolarHBondContact N-O 3.16Å; F494-L511 PolarHBondContact O-N 2.97Å; F494-L511 VanDerWaalsContact O-O 3.09Å
512	V	95.1	Very high	91.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.5	-177.4	-171.9	0	0	0	0	109.6	C380 Y381 V382 I491 Q492 V493 V514 L541	C380-V512 PolarHBondContact O-N 2.88Å; Y381-V512 CarbonylContact C-O 3.53Å; Y381-V512 VanDerWaalsContact CA-O 3.32Å; Y381-V512 WeakPolarHBondContact CA-O 3.34Å; Y381-V512 HydrophobicContact CD1-CB 3.62Å; Y381-V512 HydrophobicContact CD1-CG1 3.91Å; Y381-V512 HydrophobicContact CD1-CG2 4.15Å; Y381-V512 HydrophobicContact CE1-CB 3.72Å; Y381-V512 HydrophobicContact CE1-CG1 3.86Å; Y381-V512 HydrophobicContact CE1-CG2 3.78Å; Y381-V512 HydrophobicContact CE2-CG2 4.48Å; Y381-V512 HydrophobicContact CG-CB 4.17Å; V382-V512 PolarHBondContact N-O 3.28Å; I491-V512 HydrophobicContact CG2-CG1 3.98Å; Q492-V512 CarbonylContact O-C 3.56Å; Q492-V512 WeakPolarHBondContact O-CA 3.37Å; V493-V512 HydrophobicContact CG1-CG2 4.5Å; V493-V512 HydrophobicContact CG2-CG1 4.39Å; V493-V512 HydrophobicContact CG2-CG2 4.32Å; V512-V514 HydrophobicContact CG1-CG2 3.85Å; V512-L541 HydrophobicContact CG1-CD1 4.04Å
513	Y	96.1	Very high	91.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131	168	172.1	-93.4	0	0	0	109.5	D384 T391 F392 L395 I491 Q492	D384-Y513 HydrophobicContact CB-CD2 4.41Å; D384-Y513 HydrophobicContact CB-CE2 3.45Å; D384-Y513 VanDerWaalsContact CB-CE2 3.45Å; D384-Y513 PolarHBondContact OD2-OH 3.11Å; T391-Y513 HydrophobicContact CG2-CE2 4.42Å; F392-Y513 HydrophobicContact CD2-CD1 4.05Å; F392-Y513 HydrophobicContact CD2-CE1 4.09Å; F392-Y513 HydrophobicContact CD2-CG 4.35Å; L395-Y513 HydrophobicContact CD2-CD2 4.08Å; I491-Y513 WeakPolarHBondContact CA-O 3.47Å; Q492-Y513 HydrophobicContact CB-CD1 4.45Å; Q492-Y513 PolarHBondContact N-O 3.06Å; Q492-Y513 PolarHBondContact O-N 3.35Å
514	V	96.1	Very high	91.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.4	179.1	-175.2	0	0	0	0	109	Y381 V382 S383 D384 M490 V512 L534 V537 I726	Y381-V514 HydrophobicContact CD1-CG2 4.34Å; V382-V514 PolarHBondContact O-N 2.74Å; S383-V514 CarbonylContact C-O 3.49Å; S383-V514 VanDerWaalsContact CA-O 3.28Å; S383-V514 WeakPolarHBondContact CA-O 3.06Å; D384-V514 PolarHBondContact N-O 3.03Å; M490-V514 WeakPolarHBondContact O-CA 3.33Å; V512-V514 HydrophobicContact CG1-CG2 3.85Å; V514-L534 HydrophobicContact CB-CD2 4.18Å; V514-L534 HydrophobicContact CG2-CD2 4.15Å; V514-V537 HydrophobicContact CG1-CG1 4.45Å; V514-V537 HydrophobicContact CG2-CG1 4.08Å; V514-I726 HydrophobicContact CG1-CD1 4.16Å; V514-I726 HydrophobicContact CG1-CG2 4.45Å
515	S	95.5	Very high	91.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.1	164.3	-165.2	0	0	0	0	108.5	D384 A387 G489 M490	D384-S515 PolarHBondContact O-OG 3.29Å; A387-S515 WeakPolarHBondContact CB-OG 3.46Å; G489-S515 CarbonylContact C-O 3.17Å; G489-S515 WeakPolarHBondContact CA-O 3.32Å; M490-S515 PolarHBondContact N-O 3.42Å; M490-S515 PolarHBondContact O-N 2.85Å
516	R	94.2	Very high	91.3	Very high	16 Å²	16	45.5 Å²	45.5	6%	0.06	24%	0.239	C	C	.	.			trans	-76.8	153.7	-175.1	-58.8	-177.5	-68.5	155.2	-10.7	110.5	D385 H487 K518 H524 K526 G529 A533	D385-R516 IonicContact OD1-CZ 2.85Å; D385-R516 IonicContact OD1-NE 2.88Å; D385-R516 PolarHBondContact OD1-NE 3.33Å; D385-R516 IonicContact OD1-NH2 3.34Å; D385-R516 PolarHBondContact OD1-NH2 2.73Å; D385-R516 IonicContact OD2-NH2 2.75Å; D385-R516 PolarHBondContact OD2-NH2 3.21Å; H487-R516 PolarHBondContact CD2-O 3.38Å; H487-R516 PolarHBondContact NE2-O 3.01Å; H487-R516 VanDerWaalsContact NE2-O 3.17Å; R516-K518 PolarHBondContact O-N 2.84Å; R516-H524 PolarHBondContact NH1-O 3.24Å; R516-H524 PolarHBondContact NH2-O 2.6Å; R516-K526 PolarHBondContact NH2-O 3.41Å; R516-K526 VanDerWaalsContact NH2-O 3.09Å; R516-G529 VanDerWaalsContact NH1-CA 3.31Å; R516-G529 PolarHBondContact NH1-O 3.39Å; R516-G529 VanDerWaalsContact NH1-O 3.14Å; R516-A533 HydrophobicContact CG-CB 3.65Å
517	E	94.6	Very high	91.3	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.037	23%	0.227	C	C	.	.			trans	-66.5	128	170.5	-176.5	170.9	-170.5	0	0	110.2	S11 R519 I726 S727 C728	S11-E517 VanDerWaalsContact CB-OE1 3.27Å; S11-E517 WeakPolarHBondContact CB-OE1 3.41Å; S11-E517 PolarHBondContact OG-OE1 2.87Å; E517-R519 HydrophobicContact CG-CG 4.38Å; E517-R519 IonicContact OE1-CZ 2.98Å; E517-R519 IonicContact OE1-NE 2.68Å; E517-R519 PolarHBondContact OE1-NE 3.38Å; E517-R519 IonicContact OE1-NH2 3.85Å; E517-R519 PolarHBondContact OE1-NH2 2.95Å; E517-I726 PolarHBondContact N-O 3.2Å; E517-S727 WeakPolarHBondContact OE2-CA 3.2Å; E517-S727 VanDerWaalsContact OE2-CB 3.31Å; E517-S727 WeakPolarHBondContact OE2-CB 3.41Å; E517-C728 HydrophobicContact CB-CB 4.41Å; E517-C728 HydrophobicContact CG-CB 4.2Å
518	K	93.1	Very high	91.3	Very high	25 Å²	25	40.6 Å²	40.6	11%	0.109	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-123.8	135.3	174	-65.8	-172.4	-179.3	-176.9	0	109.6	D385 R485 D486 H487 R516	D385-K518 VanDerWaalsContact CG-NZ 3.33Å; D385-K518 PolarHBondContact O-NZ 3.02Å; D385-K518 IonicContact OD1-NZ 3.21Å; D385-K518 IonicContact OD2-NZ 2.92Å; D385-K518 PolarHBondContact OD2-NZ 2.78Å; R485-K518 CarbonylContact O-C 3.43Å; D486-K518 VanDerWaalsContact CA-O 3.29Å; D486-K518 WeakPolarHBondContact CA-O 3.27Å; H487-K518 PolarHBondContact N-O 3.01Å; H487-K518 PolarHBondContact O-N 2.77Å; R516-K518 PolarHBondContact O-N 2.84Å
519	R	91.9	Very high	91.4	Very high	33 Å²	33	40.4 Å²	40.4	13%	0.125	21%	0.212	C	C	.	.			trans	-134.8	147.4	178.7	-61.4	-60.2	179.8	95.9	0.6	110.8	S11 R14 R485 D486 E517 G521 F522	S11-R519 PolarHBondContact OG-NH2 3.41Å; R14-R519 VanDerWaalsContact NH2-NH1 3.15Å; R485-R519 CarbonylContact O-C 3.52Å; R485-R519 WeakPolarHBondContact O-CA 3.03Å; D486-R519 WeakPolarHBondContact OD1-CD 3.41Å; D486-R519 IonicContact OD1-CZ 2.93Å; D486-R519 IonicContact OD1-NE 3.66Å; D486-R519 PolarHBondContact OD1-NE 2.97Å; E517-R519 HydrophobicContact CG-CG 4.38Å; E517-R519 IonicContact OE1-CZ 2.98Å; E517-R519 IonicContact OE1-NE 2.68Å; E517-R519 PolarHBondContact OE1-NE 3.38Å; E517-R519 IonicContact OE1-NH2 3.85Å; E517-R519 PolarHBondContact OE1-NH2 2.95Å; R519-G521 PolarHBondContact O-N 2.57Å; R519-F522 HydrophobicContact CB-CD2 3.9Å; R519-F522 PolarHBondContact O-N 3.36Å
520	P	89	Confident	91.3	Very high	90 Å²	90	40.4 Å²	40.4	58%	0.584	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	133.6	173.2	-23.3	34.2	0	0	0	111.2	R485 D486	R485-P520 WeakPolarHBondContact O-CD 3.15Å; D486-P520 HydrophobicContact CB-CG 4.2Å
521	G	85.5	Confident	91.4	Very high	89 Å²	89	36.9 Å²	36.9	92%	0.918	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.9	-12.2	-179.3	0	0	0	0	0	115.5	R519	R519-G521 PolarHBondContact O-N 2.57Å
522	F	86.3	Confident	91.5	Very high	87 Å²	87	36.9 Å²	36.9	38%	0.382	20%	0.199	S	C	.	.			trans	-92.6	131.1	174	-78.6	-99.4	0	0	0	111.3	R519 C728	R519-F522 HydrophobicContact CB-CD2 3.9Å; R519-F522 PolarHBondContact O-N 3.36Å; F522-C728 HydrophobicContact CB-CB 4.46Å; F522-C728 HydrophobicContact CD1-CB 4.16Å; F522-C728 HydrophobicContact CG-CB 4.25Å
523	Q	85	Confident	91.5	Very high	142 Å²	142	36.9 Å²	36.9	66%	0.664	20%	0.199	S	C	*	.			trans	-82	121.5	176.1	-177.1	66	-18.1	0	0	110.4	H525	Q523-H525 PolarHBondContact O-CD2 2.85Å
524	H	85.2	Confident	91.5	Very high	76 Å²	76	36.9 Å²	36.9	35%	0.352	20%	0.199	S	C	.	.			trans	-99.4	-2.9	-171.5	67.5	91.9	0	0	0	114.7	D385 R516 K526	D385-H524 IonicContact OD2-ND1 2.67Å; R516-H524 PolarHBondContact NH1-O 3.24Å; R516-H524 PolarHBondContact NH2-O 2.6Å; H524-K526 PolarHBondContact ND1-N 2.87Å; H524-K526 PolarHBondContact O-N 3.22Å; H524-K526 VanDerWaalsContact O-N 3.08Å
525	H	87.1	Confident	91.5	Very high	61 Å²	61	36.9 Å²	36.9	28%	0.282	20%	0.199	S	C	.	.			trans	54.2	27	175	-58.6	-76.6	0	0	0	116.4	Q523 K527 A528 G529 Y744	Q523-H525 PolarHBondContact O-CD2 2.85Å; H525-K527 PolarHBondContact O-N 3.17Å; H525-A528 PolarHBondContact O-N 3.47Å; H525-G529 PolarHBondContact O-N 3.15Å; H525-Y744 HydrophobicContact CB-CD1 3.81Å; H525-Y744 HydrophobicContact CB-CD2 4.32Å; H525-Y744 HydrophobicContact CB-CE1 3.76Å; H525-Y744 HydrophobicContact CB-CE2 4.28Å; H525-Y744 HydrophobicContact CB-CG 4.11Å; H525-Y744 AromaticContact CD2-CD2 3.45Å; H525-Y744 VanDerWaalsContact CD2-CD2 3.45Å; H525-Y744 WeakPolarHBondContact CD2-CD2 3.44Å; H525-Y744 AromaticContact CD2-CE2 3.33Å; H525-Y744 WeakPolarHBondContact CD2-CE2 3.16Å; H525-Y744 AromaticContact CD2-CZ 3.85Å; H525-Y744 AromaticContact CE1-CD2 3.55Å; H525-Y744 AromaticContact CE1-CG 3.93Å; H525-Y744 AromaticContact CG-CD1 3.9Å; H525-Y744 AromaticContact CG-CD2 3.55Å; H525-Y744 AromaticContact CG-CE2 3.72Å; H525-Y744 AromaticContact CG-CG 3.67Å; H525-Y744 AromaticContact CG-CZ 3.97Å; H525-Y744 AromaticContact ND1-CD2 3.61Å; H525-Y744 AromaticContact ND1-CG 3.58Å; H525-Y744 AromaticContact NE2-CD2 3.48Å; H525-Y744 WeakPolarHBondContact NE2-CD2 3.24Å; H525-Y744 AromaticContact NE2-CE2 3.72Å
526	K	86	Confident	91.5	Very high	91 Å²	91	37 Å²	37	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	47.7	-131.3	176.2	-55.8	176.2	-175	170.5	0	111.7	R516 H524 G529 A530	R516-K526 PolarHBondContact NH2-O 3.41Å; R516-K526 VanDerWaalsContact NH2-O 3.09Å; H524-K526 PolarHBondContact ND1-N 2.87Å; H524-K526 PolarHBondContact O-N 3.22Å; H524-K526 VanDerWaalsContact O-N 3.08Å; K526-G529 PolarHBondContact O-N 3.07Å; K526-A530 PolarHBondContact O-N 3.24Å; K526-A530 VanDerWaalsContact O-N 3.15Å
527	K	89.9	Confident	91.6	Very high	48 Å²	48	36.3 Å²	36.3	21%	0.209	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-41	-179.5	-174.3	177.8	176.4	-175.1	0	112.7	H525 G529 A530 M531 D551 G621	H525-K527 PolarHBondContact O-N 3.17Å; K527-G529 VanDerWaalsContact C-N 3.32Å; K527-G529 PolarHBondContact O-N 3.14Å; K527-A530 WeakPolarHBondContact O-CB 3.3Å; K527-A530 PolarHBondContact O-N 3.35Å; K527-A530 VanDerWaalsContact O-N 3.07Å; K527-M531 HydrophobicContact CG-CG 4.13Å; K527-M531 VanDerWaalsContact O-CG 3.31Å; K527-M531 WeakPolarHBondContact O-CG 3.26Å; K527-M531 PolarHBondContact O-N 3.09Å; K527-D551 WeakPolarHBondContact CE-OD1 3.39Å; K527-D551 IonicContact NZ-OD1 3.73Å; K527-D551 PolarHBondContact NZ-OD1 3.08Å; K527-D551 IonicContact NZ-OD2 3.36Å; K527-G621 PolarHBondContact NZ-O 3Å
528	A	92.4	Very high	91.6	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-45.7	178.7	0	0	0	0	0	111.9	H525 M531 N532 W742 Y744 E749	H525-A528 PolarHBondContact O-N 3.47Å; A528-M531 PolarHBondContact O-N 3.21Å; A528-N532 WeakPolarHBondContact O-CB 3.32Å; A528-N532 PolarHBondContact O-N 3.21Å; A528-W742 HydrophobicContact CB-CB 4.13Å; A528-Y744 HydrophobicContact CB-CD1 3.68Å; A528-Y744 HydrophobicContact CB-CE1 3.75Å; A528-E749 HydrophobicContact CB-CB 4.16Å; A528-E749 HydrophobicContact CB-CG 3.85Å
529	G	92.9	Very high	91.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-35.3	175.9	0	0	0	0	0	112.9	R516 H525 K526 K527 N532 A533	R516-G529 VanDerWaalsContact NH1-CA 3.31Å; R516-G529 PolarHBondContact NH1-O 3.39Å; R516-G529 VanDerWaalsContact NH1-O 3.14Å; H525-G529 PolarHBondContact O-N 3.15Å; K526-G529 PolarHBondContact O-N 3.07Å; K527-G529 VanDerWaalsContact C-N 3.32Å; K527-G529 PolarHBondContact O-N 3.14Å; G529-N532 PolarHBondContact O-N 2.84Å; G529-A533 PolarHBondContact O-N 3.26Å
530	A	93.9	Very high	91.7	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-48.3	175.6	0	0	0	0	0	111.1	K526 K527 N532 A533 L534	K526-A530 PolarHBondContact O-N 3.24Å; K526-A530 VanDerWaalsContact O-N 3.15Å; K527-A530 WeakPolarHBondContact O-CB 3.3Å; K527-A530 PolarHBondContact O-N 3.35Å; K527-A530 VanDerWaalsContact O-N 3.07Å; A530-N532 PolarHBondContact O-N 3.25Å; A530-A533 PolarHBondContact O-N 3.39Å; A530-L534 WeakPolarHBondContact O-CG 3.38Å; A530-L534 PolarHBondContact O-N 3.17Å
531	M	94.9	Very high	91.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-40.8	176.7	-65.1	-58	-65.5	0	0	112.1	F347 K527 A528 L534 I535 N549 W742	F347-M531 HydrophobicContact CB-CE 4.05Å; F347-M531 HydrophobicContact CD2-CE 3.76Å; F347-M531 HydrophobicContact CG-CE 4.42Å; K527-M531 HydrophobicContact CG-CG 4.13Å; K527-M531 VanDerWaalsContact O-CG 3.31Å; K527-M531 WeakPolarHBondContact O-CG 3.26Å; K527-M531 PolarHBondContact O-N 3.09Å; A528-M531 PolarHBondContact O-N 3.21Å; M531-L534 WeakPolarHBondContact O-CB 3.37Å; M531-L534 PolarHBondContact O-N 3.16Å; M531-L534 HydrophobicContact SD-CD1 4.4Å; M531-I535 WeakPolarHBondContact O-CG1 3.16Å; M531-I535 PolarHBondContact O-N 3.25Å; M531-N549 HydrophobicContact CE-CB 3.61Å; M531-W742 HydrophobicContact CB-CD2 3.73Å; M531-W742 HydrophobicContact CB-CE3 3.83Å; M531-W742 HydrophobicContact CB-CG 4.07Å; M531-W742 HydrophobicContact CB-CZ3 4.29Å; M531-W742 HydrophobicContact CE-CH2 3.72Å; M531-W742 HydrophobicContact CE-CZ2 3.64Å; M531-W742 HydrophobicContact CE-CZ3 4.29Å; M531-W742 HydrophobicContact CG-CD2 4.36Å
532	N	95.8	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.8	-41.1	177.2	-75.8	-16.5	0	0	0	112.6	A528 G529 A530 L534 I535 R536 W736 G741 W742 Y744	A528-N532 WeakPolarHBondContact O-CB 3.32Å; A528-N532 PolarHBondContact O-N 3.21Å; G529-N532 PolarHBondContact O-N 2.84Å; A530-N532 PolarHBondContact O-N 3.25Å; N532-L534 VanDerWaalsContact C-N 3.34Å; N532-I535 PolarHBondContact O-N 3.45Å; N532-R536 WeakPolarHBondContact O-CG 3.44Å; N532-R536 PolarHBondContact O-N 3Å; N532-R536 PolarHBondContact O-NH1 3.2Å; N532-W736 HydrophobicContact CB-CE3 4.08Å; N532-W736 HydrophobicContact CB-CZ3 4.24Å; N532-G741 VanDerWaalsContact OD1-CA 3.32Å; N532-G741 WeakPolarHBondContact OD1-CA 3.37Å; N532-W742 PolarHBondContact ND2-O 2.98Å; N532-W742 PolarHBondContact OD1-N 3.19Å; N532-Y744 WeakPolarHBondContact ND2-CE1 3.34Å; N532-Y744 VanDerWaalsContact ND2-CZ 3.28Å; N532-Y744 PolarHBondContact ND2-OH 3.4Å
533	A	96	Very high	92.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-39.2	173.2	0	0	0	0	0	111.9	R516 G529 A530 I535 R536 V537 I726	R516-A533 HydrophobicContact CG-CB 3.65Å; G529-A533 PolarHBondContact O-N 3.26Å; A530-A533 PolarHBondContact O-N 3.39Å; A533-I535 PolarHBondContact O-N 3.28Å; A533-R536 PolarHBondContact O-N 2.91Å; A533-V537 WeakPolarHBondContact O-CB 3.46Å; A533-V537 WeakPolarHBondContact O-CG1 3.43Å; A533-V537 PolarHBondContact O-N 3.29Å; A533-I726 HydrophobicContact CB-CG2 4.18Å
534	L	96.9	Very high	93	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-59.8	-43.6	173.6	-77.3	-177.1	0	0	0	111.9	F347 Y381 V514 A530 M531 N532 R536 V537 S538	F347-L534 HydrophobicContact CB-CD1 3.79Å; F347-L534 HydrophobicContact CD1-CB 4.4Å; F347-L534 HydrophobicContact CD1-CD1 4.28Å; F347-L534 HydrophobicContact CD2-CB 4Å; F347-L534 HydrophobicContact CD2-CD1 4.24Å; F347-L534 HydrophobicContact CE1-CB 4.34Å; F347-L534 HydrophobicContact CE2-CB 3.95Å; F347-L534 HydrophobicContact CG-CB 4.22Å; F347-L534 HydrophobicContact CG-CD1 3.86Å; F347-L534 HydrophobicContact CZ-CB 4.13Å; Y381-L534 HydrophobicContact CD1-CD2 4.42Å; V514-L534 HydrophobicContact CB-CD2 4.18Å; V514-L534 HydrophobicContact CG2-CD2 4.15Å; A530-L534 WeakPolarHBondContact O-CG 3.38Å; A530-L534 PolarHBondContact O-N 3.17Å; M531-L534 WeakPolarHBondContact O-CB 3.37Å; M531-L534 PolarHBondContact O-N 3.16Å; M531-L534 HydrophobicContact SD-CD1 4.4Å; N532-L534 VanDerWaalsContact C-N 3.34Å; L534-R536 VanDerWaalsContact C-N 3.29Å; L534-R536 PolarHBondContact O-N 3.37Å; L534-V537 HydrophobicContact CD2-CG1 4.23Å; L534-V537 WeakPolarHBondContact O-CG1 3.29Å; L534-S538 VanDerWaalsContact O-CB 3.3Å; L534-S538 WeakPolarHBondContact O-CB 3.46Å; L534-S538 PolarHBondContact O-N 3.23Å
535	I	96.1	Very high	93.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.9	-45.5	175	-66.2	160.3	0	0	0	110.9	F347 M531 N532 A533 A539 M547 R628 L631 Y632 W736 W742	F347-I535 HydrophobicContact CE2-CG1 4.21Å; M531-I535 WeakPolarHBondContact O-CG1 3.16Å; M531-I535 PolarHBondContact O-N 3.25Å; N532-I535 PolarHBondContact O-N 3.45Å; A533-I535 PolarHBondContact O-N 3.28Å; I535-A539 WeakPolarHBondContact O-CB 3.47Å; I535-A539 PolarHBondContact O-N 2.92Å; I535-A539 VanDerWaalsContact O-N 3.13Å; I535-M547 HydrophobicContact CB-SD 4.48Å; I535-M547 HydrophobicContact CG1-CE 4.23Å; I535-M547 HydrophobicContact CG1-SD 4.05Å; I535-M547 HydrophobicContact CG2-CE 4.49Å; I535-M547 HydrophobicContact CG2-SD 4.37Å; I535-R628 PolarHBondContact O-NH1 2.96Å; I535-L631 HydrophobicContact CD1-CD1 4.48Å; I535-Y632 HydrophobicContact CG2-CD1 4.36Å; I535-Y632 HydrophobicContact CG2-CE1 3.47Å; I535-Y632 VanDerWaalsContact CG2-CE1 3.47Å; I535-W736 HydrophobicContact CB-CH2 4.38Å; I535-W736 HydrophobicContact CD1-CZ3 4.2Å; I535-W736 HydrophobicContact CG2-CH2 3.95Å; I535-W742 HydrophobicContact CD1-CE3 3.43Å; I535-W742 VanDerWaalsContact CD1-CE3 3.43Å; I535-W742 HydrophobicContact CD1-CZ3 3.31Å; I535-W742 HydrophobicContact CG1-CE3 4.31Å; I535-W742 HydrophobicContact CG1-CZ3 3.79Å
536	R	95.5	Very high	94	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.011	5%	0.051	C	C	.	.	H	α-helix	trans	-68.7	-48.2	-176.8	-66.8	-167.7	-57.2	-90.5	7.2	112.1	N532 A533 L534 S538 A539 V540 F698 V725 Y730 E731 W736	N532-R536 WeakPolarHBondContact O-CG 3.44Å; N532-R536 PolarHBondContact O-N 3Å; N532-R536 PolarHBondContact O-NH1 3.2Å; A533-R536 PolarHBondContact O-N 2.91Å; L534-R536 VanDerWaalsContact C-N 3.29Å; L534-R536 PolarHBondContact O-N 3.37Å; R536-S538 PolarHBondContact O-N 2.86Å; R536-A539 WeakPolarHBondContact O-CB 3.44Å; R536-A539 PolarHBondContact O-N 3.43Å; R536-V540 PolarHBondContact O-N 2.79Å; R536-F698 HydrophobicContact CB-CD2 4.48Å; R536-F698 HydrophobicContact CB-CE2 4.26Å; R536-F698 HydrophobicContact CG-CE1 4.46Å; R536-F698 HydrophobicContact CG-CE2 4.14Å; R536-F698 HydrophobicContact CG-CZ 4.07Å; R536-V725 HydrophobicContact CB-CB 4.08Å; R536-V725 HydrophobicContact CB-CG2 4.06Å; R536-V725 PolarHBondContact NE-O 3.44Å; R536-V725 PolarHBondContact NH2-O 3.19Å; R536-V725 VanDerWaalsContact NH2-O 3.1Å; R536-Y730 VanDerWaalsContact CD-CE1 3.47Å; R536-E731 IonicContact CZ-OE1 3.92Å; R536-E731 IonicContact NH1-OE1 2.72Å; R536-E731 PolarHBondContact NH1-OE1 3.04Å; R536-E731 IonicContact NH2-OE1 2.79Å; R536-E731 PolarHBondContact NH2-OE1 3.15Å; R536-W736 HydrophobicContact CG-CH2 3.74Å; R536-W736 HydrophobicContact CG-CZ2 3.44Å; R536-W736 VanDerWaalsContact CG-CZ2 3.44Å; R536-W736 HydrophobicContact CG-CZ3 4.48Å
537	V	95.1	Very high	94.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-65.3	-41.1	-178.9	77.2	0	0	0	0	111.5	Y381 I491 V514 A533 L534 A539 V540 L541 A722 I726	Y381-V537 HydrophobicContact CD1-CG1 4.26Å; Y381-V537 HydrophobicContact CE1-CG1 4.32Å; I491-V537 HydrophobicContact CD1-CG2 3.59Å; V514-V537 HydrophobicContact CG1-CG1 4.45Å; V514-V537 HydrophobicContact CG2-CG1 4.08Å; A533-V537 WeakPolarHBondContact O-CB 3.46Å; A533-V537 WeakPolarHBondContact O-CG1 3.43Å; A533-V537 PolarHBondContact O-N 3.29Å; L534-V537 HydrophobicContact CD2-CG1 4.23Å; L534-V537 WeakPolarHBondContact O-CG1 3.29Å; V537-A539 VanDerWaalsContact C-N 3.33Å; V537-A539 PolarHBondContact O-N 2.94Å; V537-V540 PolarHBondContact O-N 3.5Å; V537-L541 HydrophobicContact CG2-CD1 4.05Å; V537-L541 WeakPolarHBondContact O-CG 3.48Å; V537-L541 PolarHBondContact O-N 2.81Å; V537-L541 VanDerWaalsContact O-N 3.12Å; V537-A722 HydrophobicContact CG2-CB 3.78Å; V537-I726 HydrophobicContact CB-CG2 3.81Å; V537-I726 HydrophobicContact CG2-CG2 4.1Å
538	S	95.5	Very high	94.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-68.1	-33.8	178	126.2	0	0	0	0	111.4	D345 L534 R536 V540 L541 T542 N543 R628	D345-S538 WeakPolarHBondContact OD2-CB 3.5Å; D345-S538 PolarHBondContact OD2-OG 3.03Å; L534-S538 VanDerWaalsContact O-CB 3.3Å; L534-S538 WeakPolarHBondContact O-CB 3.46Å; L534-S538 PolarHBondContact O-N 3.23Å; R536-S538 PolarHBondContact O-N 2.86Å; S538-V540 PolarHBondContact O-N 2.86Å; S538-L541 PolarHBondContact O-N 2.95Å; S538-T542 PolarHBondContact O-N 2.93Å; S538-T542 PolarHBondContact O-OG1 2.95Å; S538-N543 PolarHBondContact O-N 2.59Å; S538-R628 PolarHBondContact OG-NH2 3.03Å
539	A	94.1	Very high	95.1	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.008	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-21.9	174.6	0	0	0	0	0	114.2	I535 R536 V537 N543 Y632 F698 S701	I535-A539 WeakPolarHBondContact O-CB 3.47Å; I535-A539 PolarHBondContact O-N 2.92Å; I535-A539 VanDerWaalsContact O-N 3.13Å; R536-A539 WeakPolarHBondContact O-CB 3.44Å; R536-A539 PolarHBondContact O-N 3.43Å; V537-A539 VanDerWaalsContact C-N 3.33Å; V537-A539 PolarHBondContact O-N 2.94Å; A539-N543 WeakPolarHBondContact O-CB 3.26Å; A539-Y632 VanDerWaalsContact CB-OH 3.23Å; A539-Y632 WeakPolarHBondContact CB-OH 3.22Å; A539-F698 HydrophobicContact CB-CD2 3.67Å; A539-F698 HydrophobicContact CB-CE2 3.47Å; A539-F698 VanDerWaalsContact CB-CE2 3.47Å; A539-S701 VanDerWaalsContact O-CB 3.25Å; A539-S701 WeakPolarHBondContact O-CB 3.45Å; A539-S701 PolarHBondContact O-OG 3.31Å
540	V	93	Very high	95.2	Very high	6 Å²	6	3.9 Å²	3.9	4%	0.036	2%	0.022	C	C	.	.	H	α-helix	trans	-88.6	-37.3	175.1	177	0	0	0	0	110.9	R536 V537 S538 F698 L718 E721 A722 V725	R536-V540 PolarHBondContact O-N 2.79Å; V537-V540 PolarHBondContact O-N 3.5Å; S538-V540 PolarHBondContact O-N 2.86Å; V540-F698 HydrophobicContact CG2-CB 4.4Å; V540-L718 HydrophobicContact CG1-CB 4.44Å; V540-L718 HydrophobicContact CG1-CD2 4.1Å; V540-L718 WeakPolarHBondContact CG1-O 3.49Å; V540-E721 HydrophobicContact CG1-CB 4.03Å; V540-E721 HydrophobicContact CG1-CG 4.1Å; V540-E721 HydrophobicContact CG2-CG 4.43Å; V540-A722 HydrophobicContact CG1-CB 4.35Å; V540-V725 HydrophobicContact CG2-CG1 4.35Å; V540-V725 HydrophobicContact CG2-CG2 4.23Å
541	L	91.6	Very high	95.1	Very high	19 Å²	19	5.6 Å²	5.6	10%	0.099	3%	0.031	C	C	.	.	H	α-helix	trans	-90.1	-36.4	-170.8	-66.1	178.8	0	0	0	115.2	Y381 R510 V512 V537 S538 L718 L719 A722	Y381-L541 HydrophobicContact CE1-CD1 4.1Å; Y381-L541 WeakPolarHBondContact OH-CB 3.38Å; R510-L541 PolarHBondContact NH1-O 3.04Å; R510-L541 VanDerWaalsContact NH1-O 3.08Å; V512-L541 HydrophobicContact CG1-CD1 4.04Å; V537-L541 HydrophobicContact CG2-CD1 4.05Å; V537-L541 WeakPolarHBondContact O-CG 3.48Å; V537-L541 PolarHBondContact O-N 2.81Å; V537-L541 VanDerWaalsContact O-N 3.12Å; S538-L541 PolarHBondContact O-N 2.95Å; L541-L718 HydrophobicContact CD2-CB 4.32Å; L541-L719 HydrophobicContact CD2-CD2 4.18Å; L541-A722 HydrophobicContact CD1-CB 4.44Å; L541-A722 HydrophobicContact CD2-CB 4.05Å; L541-A722 HydrophobicContact CG-CB 4.19Å
542	T	91.8	Very high	94.9	Very high	21 Å²	21	5.9 Å²	5.9	13%	0.129	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-34.9	-176.3	52.7	0	0	0	0	112.9	D345 S379 Y381 S538 A544	D345-T542 PolarHBondContact OD1-OG1 3.07Å; D345-T542 PolarHBondContact OD2-OG1 3.4Å; S379-T542 WeakPolarHBondContact OG-CG2 3.12Å; Y381-T542 HydrophobicContact CE2-CG2 4.5Å; Y381-T542 VanDerWaalsContact OH-CG2 3.22Å; Y381-T542 WeakPolarHBondContact OH-CG2 3.5Å; Y381-T542 PolarHBondContact OH-OG1 2.89Å; Y381-T542 VanDerWaalsContact OH-OG1 3.12Å; S538-T542 PolarHBondContact O-N 2.93Å; S538-T542 PolarHBondContact O-OG1 2.95Å; T542-A544 PolarHBondContact O-N 2.85Å
543	N	94.4	Very high	94.5	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	4%	0.037	C	C	.	.			trans	51	51.6	-177.1	-165	24.7	0	0	0	113.2	S538 A539 S701 G707 G708	S538-N543 PolarHBondContact O-N 2.59Å; A539-N543 WeakPolarHBondContact O-CB 3.26Å; N543-S701 PolarHBondContact ND2-O 2.92Å; N543-S701 VanDerWaalsContact ND2-O 3.11Å; N543-G707 CarbonylContact O-C 3.55Å; N543-G707 WeakPolarHBondContact O-CA 3.46Å; N543-G708 WeakPolarHBondContact CB-O 3.25Å; N543-G708 PolarHBondContact ND2-O 2.95Å; N543-G708 PolarHBondContact O-N 3.28Å
544	A	95.8	Very high	94.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.037	C	C	.	.			trans	-71.2	130.6	177.9	0	0	0	0	0	111.6	S343 D345 T542 F546 R628	S343-A544 WeakPolarHBondContact OG-CA 3.35Å; D345-A544 HydrophobicContact CB-CB 4.14Å; D345-A544 VanDerWaalsContact OD2-CB 3.24Å; D345-A544 WeakPolarHBondContact OD2-CB 3.4Å; D345-A544 PolarHBondContact OD2-N 2.94Å; T542-A544 PolarHBondContact O-N 2.85Å; A544-F546 PolarHBondContact O-N 3.26Å; A544-F546 VanDerWaalsContact O-N 3.13Å; A544-R628 PolarHBondContact O-NE 3.45Å; A544-R628 PolarHBondContact O-NH2 3.22Å; A544-R628 VanDerWaalsContact O-NH2 3.12Å
545	P	95.7	Very high	94.3	Very high	13 Å²	13	6.9 Å²	6.9	8%	0.084	4%	0.038	C	C	.	.	S	Bend	trans	-64.8	-19.9	-178.1	27.1	-35.1	0	0	0	113.2	S343 R628	S343-P545 VanDerWaalsContact OG-CD 3.26Å; S343-P545 WeakPolarHBondContact OG-CD 3.36Å; P545-R628 VanDerWaalsContact O-CB 3.3Å; P545-R628 WeakPolarHBondContact O-CB 3.39Å; P545-R628 PolarHBondContact O-N 3.26Å
546	F	97.3	Very high	94.2	Very high	6 Å²	6	7 Å²	7	3%	0.026	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.8	175.6	-54.8	-62.8	0	0	0	111.7	V344 D345 A544 M566 L569 M570 V625 F626 R627	V344-F546 WeakPolarHBondContact CA-O 3.33Å; V344-F546 HydrophobicContact CG2-CB 4.34Å; D345-F546 PolarHBondContact N-O 3.25Å; A544-F546 PolarHBondContact O-N 3.26Å; A544-F546 VanDerWaalsContact O-N 3.13Å; F546-M566 HydrophobicContact CB-CE 4.28Å; F546-M566 HydrophobicContact CD2-CE 4.02Å; F546-M566 HydrophobicContact CD2-SD 3.75Å; F546-M566 HydrophobicContact CE2-SD 4.01Å; F546-M566 HydrophobicContact CG-CE 4.21Å; F546-M566 HydrophobicContact CG-SD 4.5Å; F546-L569 HydrophobicContact CD1-CB 4.31Å; F546-L569 HydrophobicContact CD1-CD1 3.8Å; F546-L569 HydrophobicContact CD1-CD2 4.31Å; F546-L569 HydrophobicContact CD1-CG 4.37Å; F546-L569 HydrophobicContact CE1-CB 3.74Å; F546-L569 HydrophobicContact CE1-CD1 4.08Å; F546-L569 HydrophobicContact CE1-CD2 3.99Å; F546-L569 HydrophobicContact CE1-CG 4.15Å; F546-L569 HydrophobicContact CE2-CB 4.36Å; F546-L569 HydrophobicContact CG-CD1 4.22Å; F546-L569 HydrophobicContact CZ-CB 3.76Å; F546-M570 HydrophobicContact CE2-CG 4.29Å; F546-V625 HydrophobicContact CB-CG1 4.11Å; F546-F626 CarbonylContact C-O 3.58Å; F546-F626 VanDerWaalsContact CA-O 3.23Å; F546-F626 WeakPolarHBondContact CA-O 3.39Å; F546-R627 HydrophobicContact CD1-CB 4.37Å; F546-R627 HydrophobicContact CE1-CB 4.31Å; F546-R627 HydrophobicContact CE1-CG 4.34Å
547	M	97.2	Very high	94.2	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.8	178.8	-64.1	171.6	-66.3	0	0	109.9	D345 F347 I535 V625 F626 R628 L631	D345-M547 HydrophobicContact CB-CG 4.34Å; D345-M547 CarbonylContact O-C 3.33Å; D345-M547 WeakPolarHBondContact O-CA 3.11Å; F347-M547 HydrophobicContact CE2-CB 4.08Å; F347-M547 HydrophobicContact CE2-CG 4.01Å; F347-M547 HydrophobicContact CE2-SD 3.49Å; F347-M547 WeakPolarHBondContact CE2-SD 3.48Å; F347-M547 HydrophobicContact CZ-CB 4.31Å; F347-M547 HydrophobicContact CZ-CG 3.86Å; F347-M547 HydrophobicContact CZ-SD 3.52Å; F347-M547 VanDerWaalsContact CZ-SD 3.52Å; I535-M547 HydrophobicContact CB-SD 4.48Å; I535-M547 HydrophobicContact CG1-CE 4.23Å; I535-M547 HydrophobicContact CG1-SD 4.05Å; I535-M547 HydrophobicContact CG2-CE 4.49Å; I535-M547 HydrophobicContact CG2-SD 4.37Å; M547-V625 CarbonylContact O-C 3.55Å; M547-V625 WeakPolarHBondContact O-CA 3.29Å; M547-F626 PolarHBondContact N-O 2.98Å; M547-F626 PolarHBondContact O-N 3.23Å; M547-R628 HydrophobicContact CE-CB 3.77Å; M547-R628 HydrophobicContact CE-CG 4.04Å; M547-R628 PolarHBondContact SD-NH2 3.39Å; M547-L631 HydrophobicContact CE-CD1 3.31Å
548	L	97.6	Very high	94.1	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.2	177.3	-172.6	167.5	0	0	0	108.9	V344 D345 L346 F347 L550 I562 C624 V625 F774	V344-L548 HydrophobicContact CG1-CB 4.27Å; D345-L548 PolarHBondContact O-N 3.47Å; L346-L548 CarbonylContact C-O 3.5Å; L346-L548 VanDerWaalsContact CA-O 3.32Å; L346-L548 WeakPolarHBondContact CA-O 3.45Å; L346-L548 HydrophobicContact CD2-CB 4.34Å; L346-L548 HydrophobicContact CD2-CD1 3.87Å; L346-L548 HydrophobicContact CD2-CD2 4.07Å; L346-L548 HydrophobicContact CD2-CG 4.33Å; L346-L548 HydrophobicContact CG-CB 4.1Å; L346-L548 HydrophobicContact CG-CD1 4.44Å; F347-L548 PolarHBondContact N-O 3.19Å; L548-L550 HydrophobicContact CD2-CD1 3.75Å; L548-L550 HydrophobicContact CD2-CD2 4.02Å; L548-L550 HydrophobicContact CD2-CG 3.47Å; L548-L550 VanDerWaalsContact CD2-CG 3.47Å; L548-I562 HydrophobicContact CD1-CG1 3.99Å; L548-C624 WeakPolarHBondContact CA-O 3.08Å; L548-V625 HydrophobicContact CB-CG2 4.09Å; L548-V625 HydrophobicContact CD1-CG2 3.82Å; L548-V625 HydrophobicContact CG-CG2 3.82Å; L548-F774 HydrophobicContact CD1-CE1 4.4Å; L548-F774 HydrophobicContact CD1-CZ 3.99Å; L548-F774 HydrophobicContact CD2-CE1 4.27Å; L548-F774 HydrophobicContact CD2-CZ 4.27Å; L548-F774 HydrophobicContact CG-CZ 4.45Å
549	N	96.1	Very high	94.1	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.011	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.1	177.9	82.8	-52.4	0	0	0	112.8	M531 Y619 G621 G623 C624	M531-N549 HydrophobicContact CE-CB 3.61Å; N549-Y619 PolarHBondContact ND2-OH 2.97Å; N549-G621 PolarHBondContact ND2-O 3.25Å; N549-G623 PolarHBondContact O-N 3.32Å; N549-C624 PolarHBondContact N-O 3.11Å; N549-C624 VanDerWaalsContact OD1-CB 3.25Å; N549-C624 WeakPolarHBondContact OD1-CB 3.22Å; N549-C624 PolarHBondContact OD1-N 3.19Å; N549-C624 PolarHBondContact OD1-O 3.5Å; N549-C624 VanDerWaalsContact OD1-O 3.1Å
550	L	94.8	Very high	94.1	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.9	175.1	-68.8	169.8	0	0	0	111	F347 V348 I368 L548 H554 I556 F774	F347-L550 PolarHBondContact O-N 3.18Å; V348-L550 WeakPolarHBondContact CA-O 3.25Å; I368-L550 HydrophobicContact CD1-CD1 3.88Å; I368-L550 HydrophobicContact CG1-CD1 4.01Å; L548-L550 HydrophobicContact CD2-CD1 3.75Å; L548-L550 HydrophobicContact CD2-CD2 4.02Å; L548-L550 HydrophobicContact CD2-CG 3.47Å; L548-L550 VanDerWaalsContact CD2-CG 3.47Å; L550-H554 HydrophobicContact CD2-CB 4.32Å; L550-I556 HydrophobicContact CD1-CD1 4.35Å; L550-I556 HydrophobicContact CD1-CG1 4.05Å; L550-F774 HydrophobicContact CD1-CD1 4.3Å; L550-F774 HydrophobicContact CD1-CE1 4.1Å; L550-F774 HydrophobicContact CD2-CD1 3.44Å; L550-F774 VanDerWaalsContact CD2-CD1 3.44Å; L550-F774 HydrophobicContact CD2-CE1 3.65Å; L550-F774 HydrophobicContact CD2-CG 4.06Å; L550-F774 HydrophobicContact CD2-CZ 4.43Å; L550-F774 HydrophobicContact CG-CD1 4.49Å; L550-F774 HydrophobicContact CG-CE1 4.38Å
551	D	92.3	Very high	94.2	Very high	39 Å²	39	12 Å²	12	21%	0.209	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	152.9	162.9	-70.6	-34.9	0	0	0	109.7	K527 D553 H554 T622	K527-D551 WeakPolarHBondContact CE-OD1 3.39Å; K527-D551 IonicContact NZ-OD1 3.73Å; K527-D551 PolarHBondContact NZ-OD1 3.08Å; K527-D551 IonicContact NZ-OD2 3.36Å; D551-D553 WeakPolarHBondContact CB-OD1 3.32Å; D551-D553 PolarHBondContact O-N 3.01Å; D551-D553 VanDerWaalsContact O-N 3.07Å; D551-H554 PolarHBondContact O-N 3.03Å; D551-T622 PolarHBondContact N-OG1 3.41Å
552	C	90.9	Very high	94.5	Very high	7 Å²	7	11.1 Å²	11.1	5%	0.047	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	-177.8	63	0	0	0	0	113.8	V348 E356 T361 T364	V348-C552 HydrophobicContact CG1-CB 4.19Å; E356-C552 VanDerWaalsContact CD-SG 3.51Å; E356-C552 PolarHBondContact OE2-SG 3.38Å; T361-C552 HydrophobicContact CG2-CB 4.46Å; T364-C552 WeakPolarHBondContact CB-O 3.29Å; T364-C552 PolarHBondContact OG1-O 3.38Å
553	D	87.9	Confident	94.7	Very high	14 Å²	14	11.2 Å²	11.2	8%	0.075	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.5	179.3	70	-27.2	0	0	0	114	V360 D551 G776 S777 K930	V360-D553 HydrophobicContact CG1-CB 4.3Å; D551-D553 WeakPolarHBondContact CB-OD1 3.32Å; D551-D553 PolarHBondContact O-N 3.01Å; D551-D553 VanDerWaalsContact O-N 3.07Å; D553-G776 WeakPolarHBondContact O-CA 3.49Å; D553-S777 PolarHBondContact O-N 3.21Å; D553-K930 HydrophobicContact CB-CD 4.49Å; D553-K930 WeakPolarHBondContact OD2-CD 3.4Å; D553-K930 WeakPolarHBondContact OD2-CE 3.45Å; D553-K930 IonicContact OD2-NZ 2.83Å; D553-K930 PolarHBondContact OD2-NZ 3.26Å
554	H	92.5	Very high	94.7	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.019	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.4	176.9	-73.7	78.9	0	0	0	111.2	T364 L550 D551 F587 K775	T364-H554 WeakPolarHBondContact CG2-O 3.44Å; L550-H554 HydrophobicContact CD2-CB 4.32Å; D551-H554 PolarHBondContact O-N 3.03Å; H554-F587 AromaticContact CE1-CE1 3.87Å; H554-F587 AromaticContact NE2-CE1 3.47Å; H554-F587 WeakPolarHBondContact NE2-CE1 3.47Å; H554-K775 CarbonylContact C-O 3.51Å; H554-K775 WeakPolarHBondContact CA-O 3.39Å
555	Y	94.3	Very high	94.8	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.02	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	162.4	-179.8	69.8	-90.5	0	0	0	111.9	P416 A418 F421 N557 D588 F774 K775	P416-Y555 HydrophobicContact CB-CE2 3.76Å; P416-Y555 HydrophobicContact CG-CE2 4.49Å; A418-Y555 HydrophobicContact CB-CD1 4.49Å; A418-Y555 HydrophobicContact CB-CD2 3.56Å; A418-Y555 HydrophobicContact CB-CE2 4.11Å; A418-Y555 HydrophobicContact CB-CG 3.78Å; F421-Y555 HydrophobicContact CB-CE1 4.42Å; F421-Y555 HydrophobicContact CB-CE2 4.44Å; F421-Y555 HydrophobicContact CD1-CE1 4.07Å; F421-Y555 AromaticContact CD2-CD1 3.56Å; F421-Y555 HydrophobicContact CD2-CD1 3.56Å; F421-Y555 HydrophobicContact CD2-CD2 4.49Å; F421-Y555 AromaticContact CD2-CE1 3.3Å; F421-Y555 HydrophobicContact CD2-CE1 3.3Å; F421-Y555 HydrophobicContact CD2-CE2 4.29Å; F421-Y555 HydrophobicContact CD2-CG 4.16Å; F421-Y555 AromaticContact CD2-CZ 3.7Å; F421-Y555 HydrophobicContact CE1-CE1 4.13Å; F421-Y555 AromaticContact CE2-CD1 3.41Å; F421-Y555 HydrophobicContact CE2-CD1 3.41Å; F421-Y555 VanDerWaalsContact CE2-CD1 3.41Å; F421-Y555 AromaticContact CE2-CE1 3.37Å; F421-Y555 HydrophobicContact CE2-CE1 3.37Å; F421-Y555 HydrophobicContact CE2-CG 4.31Å; F421-Y555 HydrophobicContact CG-CD1 4.37Å; F421-Y555 AromaticContact CG-CE1 3.66Å; F421-Y555 HydrophobicContact CG-CE1 3.66Å; F421-Y555 HydrophobicContact CG-CE2 4.49Å; F421-Y555 AromaticContact CG-CZ 3.73Å; F421-Y555 HydrophobicContact CZ-CD1 4.13Å; F421-Y555 AromaticContact CZ-CE1 3.8Å; F421-Y555 HydrophobicContact CZ-CE1 3.8Å; Y555-N557 HydrophobicContact CD2-CB 4.47Å; Y555-N557 HydrophobicContact CE2-CB 3.91Å; Y555-N557 PolarHBondContact O-N 3.01Å; Y555-D588 PolarHBondContact OH-OD2 3.24Å; Y555-F774 WeakPolarHBondContact O-CA 3.32Å; Y555-K775 HydrophobicContact CD1-CB 4.49Å; Y555-K775 WeakPolarHBondContact CD1-O 3.19Å; Y555-K775 HydrophobicContact CE1-CB 3.74Å; Y555-K775 WeakPolarHBondContact CE1-O 3.32Å; Y555-K775 HydrophobicContact CE2-CB 4.16Å; Y555-K775 PolarHBondContact N-O 3.07Å; Y555-K775 PolarHBondContact O-N 2.71Å; Y555-K775 VanDerWaalsContact O-N 3.14Å; Y555-K775 WeakPolarHBondContact OH-CB 3.37Å; Y555-K775 WeakPolarHBondContact OH-CD 3.19Å
556	I	95.7	Very high	94.8	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108	176.4	-54.9	-169.4	0	0	0	109.4	L346 S367 I368 V371 L550 N558 F774	L346-I556 HydrophobicContact CD2-CD1 3.91Å; S367-I556 PolarHBondContact OG-N 2.96Å; I368-I556 HydrophobicContact CG1-CD1 3.92Å; I368-I556 HydrophobicContact CG1-CG1 4.25Å; V371-I556 HydrophobicContact CG1-CD1 3.43Å; V371-I556 VanDerWaalsContact CG1-CD1 3.43Å; V371-I556 HydrophobicContact CG1-CG2 4.29Å; L550-I556 HydrophobicContact CD1-CD1 4.35Å; L550-I556 HydrophobicContact CD1-CG1 4.05Å; I556-N558 WeakPolarHBondContact CG2-O 3.47Å; I556-F774 HydrophobicContact CD1-CE1 4.25Å; I556-F774 HydrophobicContact CG1-CD1 4.08Å; I556-F774 HydrophobicContact CG1-CE1 3.82Å
557	N	94.7	Very high	94.7	Very high	7 Å²	7	11 Å²	11	4%	0.037	5%	0.052	C	C	.	.	S	Bend	trans	-86.4	-34.7	178.5	173.1	44.1	0	0	0	112.3	Y555 R771 A772 A773 K775	Y555-N557 HydrophobicContact CD2-CB 4.47Å; Y555-N557 HydrophobicContact CE2-CB 3.91Å; Y555-N557 PolarHBondContact O-N 3.01Å; N557-R771 PolarHBondContact O-NE 3.47Å; N557-R771 VanDerWaalsContact O-NE 3.11Å; N557-R771 PolarHBondContact OD1-NE 2.84Å; N557-R771 VanDerWaalsContact OD1-NE 3.1Å; N557-R771 PolarHBondContact OD1-NH2 3.18Å; N557-A772 WeakPolarHBondContact CB-O 3.38Å; N557-A772 PolarHBondContact ND2-O 3.42Å; N557-A773 PolarHBondContact N-O 3.3Å; N557-K775 HydrophobicContact CB-CB 4.19Å; N557-K775 HydrophobicContact CB-CD 4.05Å; N557-K775 HydrophobicContact CB-CG 4.01Å
558	N	93.5	Very high	94.6	Very high	10 Å²	10	10.9 Å²	10.9	5%	0.053	5%	0.052	C	C	.	.	S	Bend	trans	-110.6	116.1	173.6	176.3	4.4	0	0	0	109.4	I556 K560 A561 E564 R771 A773	I556-N558 WeakPolarHBondContact CG2-O 3.47Å; N558-K560 PolarHBondContact O-N 3.15Å; N558-K560 VanDerWaalsContact O-N 3.11Å; N558-K560 WeakPolarHBondContact OD1-CB 3.37Å; N558-K560 PolarHBondContact OD1-N 3.47Å; N558-A561 WeakPolarHBondContact O-CB 3.26Å; N558-A561 PolarHBondContact O-N 3.4Å; N558-A561 VanDerWaalsContact O-N 3.15Å; N558-E564 PolarHBondContact ND2-OE1 3.31Å; N558-R771 HydrophobicContact CB-CB 4.3Å; N558-R771 HydrophobicContact CB-CG 4.19Å; N558-A773 PolarHBondContact N-O 2.66Å
559	S	94.9	Very high	94.4	Very high	2 Å²	2	11 Å²	11	1%	0.014	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.7	-178	50.4	0	0	0	0	114.8	D372 E415 R417	D372-S559 PolarHBondContact N-O 3.44Å; E415-S559 PolarHBondContact OE1-N 2.92Å; E415-S559 VanDerWaalsContact OE1-N 3.12Å; E415-S559 PolarHBondContact OE1-OG 2.93Å; R417-S559 PolarHBondContact NE-OG 3.05Å; R417-S559 PolarHBondContact NH2-OG 3.26Å
560	K	94.9	Very high	94.2	Very high	95 Å²	95	12 Å²	12	41%	0.413	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.5	179.4	-57.1	-177.9	176.3	-171.3	0	113.7	L325 N558 I562 R563 E564	L325-K560 HydrophobicContact CD1-CB 3.91Å; L325-K560 HydrophobicContact CD1-CD 3.69Å; L325-K560 HydrophobicContact CD1-CG 4.29Å; N558-K560 PolarHBondContact O-N 3.15Å; N558-K560 VanDerWaalsContact O-N 3.11Å; N558-K560 WeakPolarHBondContact OD1-CB 3.37Å; N558-K560 PolarHBondContact OD1-N 3.47Å; K560-I562 VanDerWaalsContact C-N 3.28Å; K560-I562 PolarHBondContact O-N 2.94Å; K560-R563 WeakPolarHBondContact O-CB 3.45Å; K560-R563 PolarHBondContact O-N 2.97Å; K560-E564 PolarHBondContact O-N 3.49Å
561	A	95.3	Very high	94	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.017	6%	0.059	C	C	.	.	H	α-helix	trans	-54.5	-40	-174.9	0	0	0	0	0	113.6	N558 E564 A565 F583 A773 F774	N558-A561 WeakPolarHBondContact O-CB 3.26Å; N558-A561 PolarHBondContact O-N 3.4Å; N558-A561 VanDerWaalsContact O-N 3.15Å; A561-E564 PolarHBondContact O-N 2.95Å; A561-A565 PolarHBondContact O-N 3.27Å; A561-F583 WeakPolarHBondContact O-CZ 3.4Å; A561-A773 HydrophobicContact CB-CB 3.78Å; A561-F774 HydrophobicContact CB-CZ 4.24Å
562	I	96.3	Very high	93.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-66.5	-46.7	177.7	-58.4	178.4	0	0	0	110.6	V344 L346 V371 Y373 L548 K560 E564 A565 M566	V344-I562 HydrophobicContact CB-CG2 4.4Å; V344-I562 HydrophobicContact CG1-CG2 4.44Å; V344-I562 HydrophobicContact CG2-CG2 3.88Å; L346-I562 HydrophobicContact CD1-CD1 4.2Å; L346-I562 HydrophobicContact CD2-CD1 4.11Å; V371-I562 HydrophobicContact CB-CD1 4.12Å; V371-I562 HydrophobicContact CG1-CD1 4.05Å; V371-I562 HydrophobicContact CG2-CD1 3.9Å; Y373-I562 HydrophobicContact CD2-CB 4.33Å; Y373-I562 HydrophobicContact CD2-CG2 3.85Å; Y373-I562 HydrophobicContact CE1-CG2 4.49Å; Y373-I562 HydrophobicContact CE2-CG2 3.8Å; Y373-I562 HydrophobicContact CG-CG2 4.22Å; L548-I562 HydrophobicContact CD1-CG1 3.99Å; K560-I562 VanDerWaalsContact C-N 3.28Å; K560-I562 PolarHBondContact O-N 2.94Å; I562-E564 VanDerWaalsContact C-N 3.27Å; I562-E564 PolarHBondContact O-N 3.47Å; I562-A565 WeakPolarHBondContact O-CB 3.34Å; I562-A565 PolarHBondContact O-N 3.2Å; I562-A565 VanDerWaalsContact O-N 3.11Å; I562-M566 HydrophobicContact CG2-CE 4.34Å; I562-M566 WeakPolarHBondContact O-CG 3.22Å; I562-M566 PolarHBondContact O-N 3.33Å
563	R	96	Very high	93.3	Very high	23 Å²	23	20.8 Å²	20.8	9%	0.087	10%	0.102	C	C	.	.	H	α-helix	trans	-58.1	-41.4	176.2	-62.8	-180	169.6	-77.1	-0.4	111.2	L325 L328 E333 D372 Y373 K560 A565 M566 C567	L325-R563 HydrophobicContact CD2-CB 3.74Å; L328-R563 HydrophobicContact CD2-CB 4.16Å; L328-R563 WeakPolarHBondContact CD2-O 3.48Å; E333-R563 IonicContact OE1-CZ 2.84Å; E333-R563 IonicContact OE1-NH1 3.26Å; E333-R563 PolarHBondContact OE1-NH1 3.49Å; E333-R563 IonicContact OE1-NH2 3.21Å; E333-R563 PolarHBondContact OE1-NH2 2.79Å; E333-R563 IonicContact OE2-CZ 4Å; E333-R563 IonicContact OE2-NH1 3.38Å; E333-R563 PolarHBondContact OE2-NH1 3.47Å; E333-R563 IonicContact OE2-NH2 3.49Å; D372-R563 WeakPolarHBondContact O-CD 3.48Å; D372-R563 WeakPolarHBondContact O-CG 3.48Å; D372-R563 PolarHBondContact O-NE 3.46Å; D372-R563 IonicContact OD1-CZ 3.85Å; D372-R563 IonicContact OD1-NE 3.83Å; D372-R563 PolarHBondContact OD1-NE 2.97Å; D372-R563 VanDerWaalsContact OD1-NE 3.15Å; D372-R563 IonicContact OD1-NH2 3.65Å; D372-R563 PolarHBondContact OD1-NH2 3.45Å; D372-R563 IonicContact OD2-NE 2.65Å; Y373-R563 HydrophobicContact CD2-CG 3.82Å; Y373-R563 HydrophobicContact CE2-CG 4.21Å; K560-R563 WeakPolarHBondContact O-CB 3.45Å; K560-R563 PolarHBondContact O-N 2.97Å; R563-A565 PolarHBondContact O-N 3.29Å; R563-M566 WeakPolarHBondContact O-CB 3.48Å; R563-M566 PolarHBondContact O-N 3.13Å; R563-C567 PolarHBondContact O-N 3.2Å; R563-C567 VanDerWaalsContact O-N 3.13Å
564	E	95.5	Very high	93.1	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.065	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-38.3	176.3	-70.6	-169.8	-133.9	0	0	112.8	T323 L325 N558 K560 A561 I562 M566 C567 F568 P769	T323-E564 HydrophobicContact CG2-CB 4.28Å; T323-E564 PolarHBondContact OG1-OE2 2.68Å; L325-E564 HydrophobicContact CD1-CG 4.09Å; L325-E564 HydrophobicContact CD2-CB 4.42Å; L325-E564 HydrophobicContact CD2-CG 3.7Å; L325-E564 HydrophobicContact CG-CG 4.21Å; N558-E564 PolarHBondContact ND2-OE1 3.31Å; K560-E564 PolarHBondContact O-N 3.49Å; A561-E564 PolarHBondContact O-N 2.95Å; I562-E564 VanDerWaalsContact C-N 3.27Å; I562-E564 PolarHBondContact O-N 3.47Å; E564-M566 VanDerWaalsContact C-N 3.34Å; E564-C567 WeakPolarHBondContact O-CB 3.28Å; E564-C567 PolarHBondContact O-N 2.75Å; E564-F568 VanDerWaalsContact O-CD2 3.3Å; E564-F568 WeakPolarHBondContact O-CD2 3.38Å; E564-P769 WeakPolarHBondContact OE1-CB 3.45Å; E564-P769 WeakPolarHBondContact OE2-CB 3.03Å; E564-P769 WeakPolarHBondContact OE2-CG 3.24Å
565	A	96.6	Very high	92.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-39.5	173.2	0	0	0	0	0	111.9	A561 I562 R563 C567 F568 L569 V581 F583 V625	A561-A565 PolarHBondContact O-N 3.27Å; I562-A565 WeakPolarHBondContact O-CB 3.34Å; I562-A565 PolarHBondContact O-N 3.2Å; I562-A565 VanDerWaalsContact O-N 3.11Å; R563-A565 PolarHBondContact O-N 3.29Å; A565-C567 VanDerWaalsContact C-N 3.29Å; A565-C567 PolarHBondContact O-N 3.18Å; A565-F568 PolarHBondContact O-N 3.47Å; A565-L569 HydrophobicContact CB-CD1 4.48Å; A565-L569 PolarHBondContact O-N 3.33Å; A565-L569 VanDerWaalsContact O-N 3.08Å; A565-V581 HydrophobicContact CB-CB 4.39Å; A565-V581 HydrophobicContact CB-CG1 4.48Å; A565-V581 HydrophobicContact CB-CG2 4.5Å; A565-F583 HydrophobicContact CB-CE2 4.12Å; A565-F583 HydrophobicContact CB-CZ 4.17Å; A565-V625 HydrophobicContact CB-CB 4.08Å; A565-V625 HydrophobicContact CB-CG1 4.39Å; A565-V625 HydrophobicContact CB-CG2 3.67Å
566	M	95.7	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-31.9	177.7	-65.8	-50.5	115.5	0	0	112.8	L328 V344 Y373 F546 I562 R563 E564 F568 L569 M570 V625	L328-M566 HydrophobicContact CD1-CB 4.26Å; L328-M566 HydrophobicContact CD2-CB 3.99Å; V344-M566 HydrophobicContact CG2-CE 3.73Å; V344-M566 HydrophobicContact CG2-SD 4.32Å; Y373-M566 HydrophobicContact CE2-CG 4.07Å; Y373-M566 WeakPolarHBondContact OH-CG 3.42Å; F546-M566 HydrophobicContact CB-CE 4.28Å; F546-M566 HydrophobicContact CD2-CE 4.02Å; F546-M566 HydrophobicContact CD2-SD 3.75Å; F546-M566 HydrophobicContact CE2-SD 4.01Å; F546-M566 HydrophobicContact CG-CE 4.21Å; F546-M566 HydrophobicContact CG-SD 4.5Å; I562-M566 HydrophobicContact CG2-CE 4.34Å; I562-M566 WeakPolarHBondContact O-CG 3.22Å; I562-M566 PolarHBondContact O-N 3.33Å; R563-M566 WeakPolarHBondContact O-CB 3.48Å; R563-M566 PolarHBondContact O-N 3.13Å; E564-M566 VanDerWaalsContact C-N 3.34Å; M566-F568 PolarHBondContact O-N 3.23Å; M566-L569 HydrophobicContact CE-CD1 3.91Å; M566-L569 PolarHBondContact O-N 3.34Å; M566-M570 HydrophobicContact CB-CG 4.22Å; M566-M570 HydrophobicContact CB-SD 4.03Å; M566-M570 HydrophobicContact CG-SD 4.2Å; M566-M570 WeakPolarHBondContact O-CB 3.46Å; M566-M570 PolarHBondContact O-N 3.5Å; M566-M570 HydrophobicContact SD-CG 4.07Å; M566-M570 HydrophobicContact SD-SD 4.09Å; M566-V625 HydrophobicContact CE-CG1 4Å
567	C	95.1	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.8	-25.1	171.8	-69.2	0	0	0	0	113.6	L250 T323 R563 E564 A565	L250-C567 HydrophobicContact CB-CB 4.28Å; L250-C567 WeakPolarHBondContact CB-O 3.41Å; T323-C567 HydrophobicContact CG2-CB 4.05Å; R563-C567 PolarHBondContact O-N 3.2Å; R563-C567 VanDerWaalsContact O-N 3.13Å; E564-C567 WeakPolarHBondContact O-CB 3.28Å; E564-C567 PolarHBondContact O-N 2.75Å; A565-C567 VanDerWaalsContact C-N 3.29Å; A565-C567 PolarHBondContact O-N 3.18Å
568	F	95.2	Very high	92.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-96.1	-43	175.5	-58.7	-71.5	0	0	0	112.6	S251 R321 T323 E564 A565 M566 G575 V581 V765 C767	S251-F568 WeakPolarHBondContact OG-CD1 3.35Å; R321-F568 HydrophobicContact CB-CE1 4.28Å; R321-F568 HydrophobicContact CB-CZ 4.14Å; T323-F568 HydrophobicContact CG2-CD2 4.26Å; T323-F568 HydrophobicContact CG2-CE1 4.32Å; T323-F568 HydrophobicContact CG2-CE2 3.32Å; T323-F568 HydrophobicContact CG2-CZ 3.37Å; E564-F568 VanDerWaalsContact O-CD2 3.3Å; E564-F568 WeakPolarHBondContact O-CD2 3.38Å; A565-F568 PolarHBondContact O-N 3.47Å; M566-F568 PolarHBondContact O-N 3.23Å; F568-G575 WeakPolarHBondContact O-CA 3.18Å; F568-G575 PolarHBondContact O-N 3.42Å; F568-V581 HydrophobicContact CB-CG2 4.02Å; F568-V581 HydrophobicContact CD2-CG1 4.14Å; F568-V581 HydrophobicContact CD2-CG2 4.3Å; F568-V765 HydrophobicContact CD1-CG1 3.83Å; F568-V765 HydrophobicContact CD2-CG1 4.14Å; F568-V765 HydrophobicContact CE1-CG1 3.96Å; F568-V765 HydrophobicContact CE2-CG1 4.27Å; F568-V765 HydrophobicContact CG-CG1 3.9Å; F568-V765 HydrophobicContact CZ-CG1 4.18Å; F568-C767 HydrophobicContact CE2-CB 3.8Å; F568-C767 HydrophobicContact CZ-CB 4.43Å
569	L	94.6	Very high	92.5	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-77.4	-32.7	-172.1	-70.1	167.1	0	0	0	113.2	F546 A565 M566 V578 V581 V625 R627	F546-L569 HydrophobicContact CD1-CB 4.31Å; F546-L569 HydrophobicContact CD1-CD1 3.8Å; F546-L569 HydrophobicContact CD1-CD2 4.31Å; F546-L569 HydrophobicContact CD1-CG 4.37Å; F546-L569 HydrophobicContact CE1-CB 3.74Å; F546-L569 HydrophobicContact CE1-CD1 4.08Å; F546-L569 HydrophobicContact CE1-CD2 3.99Å; F546-L569 HydrophobicContact CE1-CG 4.15Å; F546-L569 HydrophobicContact CE2-CB 4.36Å; F546-L569 HydrophobicContact CG-CD1 4.22Å; F546-L569 HydrophobicContact CZ-CB 3.76Å; A565-L569 HydrophobicContact CB-CD1 4.48Å; A565-L569 PolarHBondContact O-N 3.33Å; A565-L569 VanDerWaalsContact O-N 3.08Å; M566-L569 HydrophobicContact CE-CD1 3.91Å; M566-L569 PolarHBondContact O-N 3.34Å; L569-V578 HydrophobicContact CD2-CB 4.1Å; L569-V578 HydrophobicContact CD2-CG1 3.69Å; L569-V581 HydrophobicContact CD1-CG2 4.07Å; L569-V581 HydrophobicContact CD2-CG2 4.19Å; L569-V581 HydrophobicContact CG-CG2 3.83Å; L569-V625 HydrophobicContact CD1-CB 4.1Å; L569-V625 HydrophobicContact CD1-CG1 3.53Å; L569-R627 PolarHBondContact O-NH2 3.37Å
570	M	91.9	Very high	92.6	Very high	22 Å²	22	34.1 Å²	34.1	11%	0.108	16%	0.157	C	C	.	.	S	Bend	trans	-95.4	4.4	177.5	-59.5	-173.8	70	0	0	113.1	Y332 L340 L341 F546 M566 P572	Y332-M570 HydrophobicContact CD1-CE 3.71Å; Y332-M570 HydrophobicContact CD2-CE 4.23Å; Y332-M570 HydrophobicContact CE1-CE 3.67Å; Y332-M570 HydrophobicContact CE2-CB 4.1Å; Y332-M570 HydrophobicContact CE2-CE 4.14Å; Y332-M570 HydrophobicContact CG-CE 4.01Å; Y332-M570 PolarHBondContact OH-O 3.31Å; L340-M570 WeakPolarHBondContact O-CE 3.04Å; L341-M570 HydrophobicContact CD2-SD 3.96Å; F546-M570 HydrophobicContact CE2-CG 4.29Å; M566-M570 HydrophobicContact CB-CG 4.22Å; M566-M570 HydrophobicContact CB-SD 4.03Å; M566-M570 HydrophobicContact CG-SD 4.2Å; M566-M570 WeakPolarHBondContact O-CB 3.46Å; M566-M570 PolarHBondContact O-N 3.5Å; M566-M570 HydrophobicContact SD-CG 4.07Å; M566-M570 HydrophobicContact SD-SD 4.09Å; M570-P572 WeakPolarHBondContact O-CD 3.05Å
571	D	90	Very high	92.7	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	14%	0.138	C	C	.	.			trans	-71.1	120.2	172.7	-170.3	-44.9	0	0	0	109.6	L250 Q573 V574 G575	L250-D571 HydrophobicContact CD1-CB 4.47Å; D571-Q573 PolarHBondContact O-N 2.97Å; D571-Q573 PolarHBondContact OD1-N 3.44Å; D571-V574 HydrophobicContact CB-CB 4.39Å; D571-V574 PolarHBondContact O-N 3.26Å; D571-V574 PolarHBondContact OD1-N 2.82Å; D571-G575 VanDerWaalsContact O-CA 3.24Å; D571-G575 WeakPolarHBondContact O-CA 3.43Å; D571-G575 PolarHBondContact O-N 3.41Å
572	P	85.3	Confident	92.9	Very high	67 Å²	67	29.5 Å²	29.5	44%	0.435	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.9	-177.8	-25	35.1	0	0	0	114	M570	M570-P572 WeakPolarHBondContact O-CD 3.05Å
573	Q	82.8	Confident	92.9	Very high	158 Å²	158	29.5 Å²	29.5	74%	0.738	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-41.9	-175.9	-61.4	-175	0.3	0	0	112.2	D571	D571-Q573 PolarHBondContact O-N 2.97Å; D571-Q573 PolarHBondContact OD1-N 3.44Å
574	V	83.4	Confident	92.8	Very high	42 Å²	42	28.6 Å²	28.6	26%	0.255	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-40.7	-172.6	-176.1	0	0	0	0	111.6	D571 R576 K577 V578	D571-V574 HydrophobicContact CB-CB 4.39Å; D571-V574 PolarHBondContact O-N 3.26Å; D571-V574 PolarHBondContact OD1-N 2.82Å; V574-R576 PolarHBondContact O-N 2.84Å; V574-K577 PolarHBondContact O-N 2.93Å; V574-V578 HydrophobicContact CG1-CG2 4.11Å; V574-V578 WeakPolarHBondContact O-CG2 3.34Å
575	G	87.4	Confident	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-65.3	-31	-166.3	0	0	0	0	0	115.2	F568 D571 K577 V578 R627	F568-G575 WeakPolarHBondContact O-CA 3.18Å; F568-G575 PolarHBondContact O-N 3.42Å; D571-G575 VanDerWaalsContact O-CA 3.24Å; D571-G575 WeakPolarHBondContact O-CA 3.43Å; D571-G575 PolarHBondContact O-N 3.41Å; G575-K577 PolarHBondContact O-N 3.44Å; G575-K577 VanDerWaalsContact O-N 3.11Å; G575-V578 PolarHBondContact O-N 3.39Å; G575-R627 PolarHBondContact O-NH2 2.96Å
576	R	88	Confident	92.3	Very high	171 Å²	171	32.6 Å²	32.6	65%	0.645	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-58	-27.4	178.8	-68	-172.7	179.7	-172	0.5	113.7	V574 P637	V574-R576 PolarHBondContact O-N 2.84Å; R576-P637 HydrophobicContact CB-CG 4.02Å; R576-P637 VanDerWaalsContact O-CD 3.27Å; R576-P637 WeakPolarHBondContact O-CD 3.2Å; R576-P637 WeakPolarHBondContact O-CG 3.24Å
577	K	91.9	Very high	91.9	Very high	110 Å²	110	34.2 Å²	34.2	48%	0.478	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-100.8	-3.7	178.7	-65.8	-175.6	179.8	179.9	0	113.7	V574 G575 R763	V574-K577 PolarHBondContact O-N 2.93Å; G575-K577 PolarHBondContact O-N 3.44Å; G575-K577 VanDerWaalsContact O-N 3.11Å; K577-R763 PolarHBondContact O-N 3.3Å
578	V	95.6	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.9	-178.6	-179	0	0	0	0	109.1	L569 V574 G575 V581 R627 R763 V765	L569-V578 HydrophobicContact CD2-CB 4.1Å; L569-V578 HydrophobicContact CD2-CG1 3.69Å; V574-V578 HydrophobicContact CG1-CG2 4.11Å; V574-V578 WeakPolarHBondContact O-CG2 3.34Å; G575-V578 PolarHBondContact O-N 3.39Å; V578-V581 HydrophobicContact CG1-CG2 4.3Å; V578-R627 PolarHBondContact O-NE 2.93Å; V578-R627 VanDerWaalsContact O-NE 3.14Å; V578-R763 CarbonylContact C-O 3.51Å; V578-R763 WeakPolarHBondContact CA-O 3.16Å; V578-V765 HydrophobicContact CG1-CB 4.47Å; V578-V765 HydrophobicContact CG1-CG2 3.89Å; V578-V765 HydrophobicContact CG2-CG2 3.78Å
579	C	95.9	Very high	90.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-35.8	174.2	54.1	0	0	0	0	113.1	F626 R627 A630 M757 W762 R763	C579-F626 CarbonylContact O-C 3.58Å; C579-F626 WeakPolarHBondContact O-CA 3.38Å; C579-R627 PolarHBondContact O-N 3.38Å; C579-A630 HydrophobicContact CB-CB 3.76Å; C579-M757 HydrophobicContact CB-CE 3.63Å; C579-W762 HydrophobicContact CB-CB 3.57Å; C579-W762 HydrophobicContact CB-CD2 3.84Å; C579-W762 HydrophobicContact CB-CE3 3.81Å; C579-W762 HydrophobicContact CB-CG 3.76Å; C579-W762 VanDerWaalsContact SG-CB 3.58Å; C579-R763 PolarHBondContact N-O 2.97Å; C579-R763 PolarHBondContact SG-O 3.36Å
580	Y	97.6	Very high	89.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156.4	175.7	61.9	-103.5	0	0	0	113.1	Q582 P617 Y619 C624 V625 F626 M757 H758 S764 V765	Y580-Q582 HydrophobicContact CD2-CB 4.38Å; Y580-Q582 HydrophobicContact CE2-CB 4.36Å; Y580-P617 WeakPolarHBondContact CE2-O 3.4Å; Y580-P617 PolarHBondContact OH-O 2.94Å; Y580-Y619 PolarHBondContact OH-N 3.29Å; Y580-C624 VanDerWaalsContact CB-SG 3.56Å; Y580-C624 WeakPolarHBondContact CD2-SG 3.4Å; Y580-V625 CarbonylContact C-O 3.52Å; Y580-V625 WeakPolarHBondContact CA-O 3.31Å; Y580-V625 WeakPolarHBondContact CB-O 3.47Å; Y580-F626 AromaticContact CD1-CD1 3.93Å; Y580-F626 HydrophobicContact CD1-CD1 3.93Å; Y580-F626 AromaticContact CD1-CE1 3.67Å; Y580-F626 HydrophobicContact CD1-CE1 3.67Å; Y580-F626 HydrophobicContact CE1-CE1 4.39Å; Y580-F626 HydrophobicContact CG-CD1 4.11Å; Y580-F626 AromaticContact CG-CE1 3.96Å; Y580-F626 HydrophobicContact CG-CE1 3.96Å; Y580-M757 HydrophobicContact CD1-CE 4.39Å; Y580-M757 HydrophobicContact CD1-SD 4.23Å; Y580-M757 HydrophobicContact CE1-SD 4.37Å; Y580-H758 AromaticContact CZ-NE2 3.88Å; Y580-H758 PolarHBondContact OH-NE2 2.85Å; Y580-S764 VanDerWaalsContact CD2-CB 3.49Å; Y580-S764 WeakPolarHBondContact O-CA 3.43Å; Y580-V765 PolarHBondContact O-N 3.22Å
581	V	97.6	Very high	88.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114	172.4	-176.1	0	0	0	0	108.4	A565 F568 L569 V578 F583 C624 V625 V765 C767	A565-V581 HydrophobicContact CB-CB 4.39Å; A565-V581 HydrophobicContact CB-CG1 4.48Å; A565-V581 HydrophobicContact CB-CG2 4.5Å; F568-V581 HydrophobicContact CB-CG2 4.02Å; F568-V581 HydrophobicContact CD2-CG1 4.14Å; F568-V581 HydrophobicContact CD2-CG2 4.3Å; L569-V581 HydrophobicContact CD1-CG2 4.07Å; L569-V581 HydrophobicContact CD2-CG2 4.19Å; L569-V581 HydrophobicContact CG-CG2 3.83Å; V578-V581 HydrophobicContact CG1-CG2 4.3Å; V581-F583 HydrophobicContact CG1-CD2 4.42Å; V581-F583 HydrophobicContact CG1-CE2 3.87Å; V581-F583 HydrophobicContact CG1-CZ 4.23Å; V581-C624 WeakPolarHBondContact O-CA 3.43Å; V581-V625 PolarHBondContact N-O 3.36Å; V581-V625 PolarHBondContact O-N 3.49Å; V581-V765 CarbonylContact C-O 3.41Å; V581-V765 WeakPolarHBondContact CA-O 3.45Å; V581-V765 HydrophobicContact CG2-CB 4.36Å; V581-C767 HydrophobicContact CG1-CB 3.77Å
582	Q	97.8	Very high	87.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.2	178	-179.1	63.9	68.6	0	0	110	Y580 P617 V620 T622 G623 V765 Y766 C767	Y580-Q582 HydrophobicContact CD2-CB 4.38Å; Y580-Q582 HydrophobicContact CE2-CB 4.36Å; Q582-P617 HydrophobicContact CB-CB 4.3Å; Q582-P617 HydrophobicContact CB-CG 3.72Å; Q582-P617 HydrophobicContact CG-CG 4.44Å; Q582-V620 HydrophobicContact CG-CG2 4.13Å; Q582-V620 VanDerWaalsContact NE2-CG2 3.32Å; Q582-T622 PolarHBondContact NE2-O 2.92Å; Q582-G623 PolarHBondContact NE2-O 3.24Å; Q582-V765 PolarHBondContact N-O 3.01Å; Q582-Y766 HydrophobicContact CB-CD2 4.28Å; Q582-Y766 HydrophobicContact CG-CD2 4.26Å; Q582-Y766 HydrophobicContact CG-CE2 4.33Å; Q582-Y766 WeakPolarHBondContact O-CA 3.4Å; Q582-Y766 VanDerWaalsContact O-CD2 3.28Å; Q582-Y766 WeakPolarHBondContact O-CD2 2.8Å; Q582-C767 PolarHBondContact O-N 3.08Å
583	F	96.5	Very high	86.8	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-102.9	154.6	171.7	-69.5	-95.7	0	0	0	111.4	A561 A565 V581 G623 V625 C767 P769 A773 F774	A561-F583 WeakPolarHBondContact O-CZ 3.4Å; A565-F583 HydrophobicContact CB-CE2 4.12Å; A565-F583 HydrophobicContact CB-CZ 4.17Å; V581-F583 HydrophobicContact CG1-CD2 4.42Å; V581-F583 HydrophobicContact CG1-CE2 3.87Å; V581-F583 HydrophobicContact CG1-CZ 4.23Å; F583-G623 WeakPolarHBondContact CB-O 3.33Å; F583-G623 WeakPolarHBondContact CD2-O 3.38Å; F583-G623 PolarHBondContact N-O 2.82Å; F583-V625 HydrophobicContact CE2-CG2 4.4Å; F583-C767 HydrophobicContact CD1-CB 4.02Å; F583-C767 WeakPolarHBondContact CD1-O 3.43Å; F583-C767 HydrophobicContact CE1-CB 3.7Å; F583-C767 VanDerWaalsContact CE1-SG 3.54Å; F583-C767 HydrophobicContact CZ-CB 4.05Å; F583-P769 HydrophobicContact CD1-CG 4Å; F583-P769 HydrophobicContact CE1-CG 3.76Å; F583-A773 HydrophobicContact CB-CB 4.26Å; F583-A773 HydrophobicContact CD1-CB 3.44Å; F583-A773 VanDerWaalsContact CD1-CB 3.44Å; F583-A773 HydrophobicContact CE1-CB 3.92Å; F583-A773 HydrophobicContact CG-CB 3.97Å; F583-F774 HydrophobicContact CB-CD2 3.72Å; F583-F774 HydrophobicContact CB-CE2 3.78Å; F583-F774 HydrophobicContact CD1-CE2 4.43Å; F583-F774 HydrophobicContact CD2-CD2 4.44Å; F583-F774 AromaticContact CD2-CE2 3.62Å; F583-F774 HydrophobicContact CD2-CE2 3.62Å; F583-F774 HydrophobicContact CE2-CE2 4.27Å; F583-F774 HydrophobicContact CG-CD2 4.12Å; F583-F774 AromaticContact CG-CE2 3.69Å; F583-F774 HydrophobicContact CG-CE2 3.69Å
584	P	94	Very high	86.6	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.026	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-61.9	135.8	170.6	23.6	-32.5	0	0	0	111.1	F604 Y766 C767 M768	P584-F604 HydrophobicContact CB-CB 4.47Å; P584-Y766 WeakPolarHBondContact CB-OH 3.38Å; P584-C767 WeakPolarHBondContact CD-O 3.46Å; P584-M768 HydrophobicContact CG-CG 4.12Å
585	Q	89.6	Confident	86.1	Confident	23 Å²	23	40.8 Å²	40.8	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.8	166.7	-61.8	173.5	17.7	0	0	108.2	F587 F604 V620 T622	Q585-F587 HydrophobicContact CB-CZ 4.21Å; Q585-F604 HydrophobicContact CB-CE1 4.31Å; Q585-F604 HydrophobicContact CB-CE2 4.05Å; Q585-F604 HydrophobicContact CB-CZ 3.66Å; Q585-F604 HydrophobicContact CG-CE1 4.39Å; Q585-F604 HydrophobicContact CG-CZ 4Å; Q585-V620 PolarHBondContact NE2-O 2.88Å; Q585-T622 HydrophobicContact CG-CG2 3.77Å
586	R	92	Very high	85.5	Confident	75 Å²	75	41.6 Å²	41.6	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.4	173.8	-59.9	-60	-176.8	112.4	-12.8	108.4	D605 A772 K775 G776	R586-D605 IonicContact CZ-OD1 3.83Å; R586-D605 IonicContact CZ-OD2 2.94Å; R586-D605 IonicContact NH2-OD1 2.8Å; R586-D605 PolarHBondContact NH2-OD1 3.03Å; R586-D605 IonicContact NH2-OD2 3.3Å; R586-D605 PolarHBondContact NH2-OD2 2.92Å; R586-A772 HydrophobicContact CB-CB 4.12Å; R586-A772 HydrophobicContact CG-CB 3.73Å; R586-K775 HydrophobicContact CB-CG 4.24Å; R586-K775 CarbonylContact O-C 3.54Å; R586-K775 VanDerWaalsContact O-CA 3.24Å; R586-K775 WeakPolarHBondContact O-CA 3.47Å; R586-G776 PolarHBondContact O-N 3.11Å
587	F	88.5	Confident	85.3	Confident	33 Å²	33	33.7 Å²	33.7	15%	0.145	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148	-177.4	-53.3	-80.9	0	0	0	111.9	H554 Q585 I590 N598 G776 A778	H554-F587 AromaticContact CE1-CE1 3.87Å; H554-F587 AromaticContact NE2-CE1 3.47Å; H554-F587 WeakPolarHBondContact NE2-CE1 3.47Å; Q585-F587 HydrophobicContact CB-CZ 4.21Å; F587-I590 HydrophobicContact CB-CD1 4.03Å; F587-I590 HydrophobicContact CB-CG1 4.3Å; F587-N598 WeakPolarHBondContact CD2-O 3.46Å; F587-G776 CarbonylContact C-O 3.58Å; F587-G776 WeakPolarHBondContact CA-O 3.49Å; F587-A778 HydrophobicContact CB-CB 3.69Å; F587-A778 HydrophobicContact CD1-CB 4.12Å; F587-A778 HydrophobicContact CD2-CB 4.46Å; F587-A778 HydrophobicContact CG-CB 3.85Å
588	D	82.5	Confident	84.9	Confident	36 Å²	36	29 Å²	29	19%	0.193	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	170	168.8	-64	-43.2	0	0	0	110.5	Y555 I590 K775 G776	Y555-D588 PolarHBondContact OH-OD2 3.24Å; D588-I590 VanDerWaalsContact C-N 3.35Å; D588-I590 PolarHBondContact O-N 3.19Å; D588-K775 WeakPolarHBondContact OD1-CD 3.21Å; D588-K775 WeakPolarHBondContact OD1-CE 3.43Å; D588-K775 IonicContact OD1-NZ 2.77Å; D588-K775 PolarHBondContact OD1-NZ 3.49Å; D588-G776 PolarHBondContact N-O 2.96Å
589	G	72.3	Confident	84.3	Confident	67 Å²	67	33.7 Å²	33.7	69%	0.691	17%	0.172	S	C	*	.	S	Bend	trans	70.3	24.8	176.1	0	0	0	0	0	115.2
590	I	75.2	Confident	83.9	Confident	34 Å²	34	35.2 Å²	35.2	17%	0.174	18%	0.18	C	C	.	.			trans	-87.6	131.4	179.4	-47.4	178	0	0	0	109.4	F587 D588 D594 R599	F587-I590 HydrophobicContact CB-CD1 4.03Å; F587-I590 HydrophobicContact CB-CG1 4.3Å; D588-I590 VanDerWaalsContact C-N 3.35Å; D588-I590 PolarHBondContact O-N 3.19Å; I590-D594 HydrophobicContact CG2-CB 3.85Å; I590-D594 WeakPolarHBondContact CG2-OD1 3.19Å; I590-R599 HydrophobicContact CD1-CB 4.46Å; I590-R599 HydrophobicContact CD1-CG 3.37Å
591	D	71.9	Confident	83.4	Confident	22 Å²	22	35.7 Å²	35.7	12%	0.118	18%	0.183	C	C	.	.			trans	-47.8	142	169.1	176.5	10	0	0	0	110.5	H593 D594 R595 L942	D591-H593 PolarHBondContact O-N 2.88Å; D591-H593 PolarHBondContact OD1-N 3.35Å; D591-D594 PolarHBondContact O-N 3.36Å; D591-R595 IonicContact OD2-NH2 3.46Å; D591-R595 PolarHBondContact OD2-NH2 3.31Å; D591-L942 HydrophobicContact CB-CD2 3.97Å
592	M	71.4	Confident	83	Confident	151 Å²	151	36.1 Å²	36.1	74%	0.744	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-33.2	177.7	-171.6	-178.8	76.5	0	0	112.4
593	H	70.7	Confident	82.7	Confident	94 Å²	94	38.8 Å²	38.8	44%	0.435	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.2	-179.4	-64.1	-57.8	0	0	0	115.6	D591 R595 R893	D591-H593 PolarHBondContact O-N 2.88Å; D591-H593 PolarHBondContact OD1-N 3.35Å; H593-R595 VanDerWaalsContact C-N 3.26Å; H593-R595 PolarHBondContact O-N 3.45Å; H593-R595 VanDerWaalsContact O-N 3.11Å; H593-R893 PolarHBondContact O-NE 3.23Å
594	D	78.6	Confident	82.5	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.07	20%	0.199	C	C	.	.			trans	34.1	56.4	-174.3	-167.5	12.5	0	0	0	113.1	I590 D591 Y596 A597 N598 R599	I590-D594 HydrophobicContact CG2-CB 3.85Å; I590-D594 WeakPolarHBondContact CG2-OD1 3.19Å; D591-D594 PolarHBondContact O-N 3.36Å; D594-Y596 PolarHBondContact O-N 2.84Å; D594-A597 PolarHBondContact O-N 2.59Å; D594-A597 WeakPolarHBondContact OD1-CA 3.5Å; D594-A597 PolarHBondContact OD1-N 2.88Å; D594-A597 WeakPolarHBondContact OD2-CA 2.94Å; D594-N598 PolarHBondContact OD1-N 3.33Å; D594-N598 PolarHBondContact OD2-N 3.32Å; D594-R599 WeakPolarHBondContact OD2-CB 3.14Å; D594-R599 VanDerWaalsContact OD2-CG 3.24Å; D594-R599 WeakPolarHBondContact OD2-CG 3.33Å; D594-R599 PolarHBondContact OD2-N 2.86Å
595	R	72.9	Confident	82.5	Confident	21 Å²	21	39.9 Å²	39.9	8%	0.079	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.1	-169.9	-168.3	-177.7	-49.7	167.7	13.6	113.3	D591 H593 P999	D591-R595 IonicContact OD2-NH2 3.46Å; D591-R595 PolarHBondContact OD2-NH2 3.31Å; H593-R595 VanDerWaalsContact C-N 3.26Å; H593-R595 PolarHBondContact O-N 3.45Å; H593-R595 VanDerWaalsContact O-N 3.11Å; R595-P999 HydrophobicContact CG-CB 4.38Å
596	Y	76	Confident	82.6	Confident	17 Å²	17	38.8 Å²	38.8	7%	0.067	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	10.8	-177.2	-52.9	-39.9	0	0	0	113.1	D594 N598 I780 L782 L942	D594-Y596 PolarHBondContact O-N 2.84Å; Y596-N598 PolarHBondContact O-N 2.79Å; Y596-I780 WeakPolarHBondContact CE2-O 3.5Å; Y596-L782 HydrophobicContact CD1-CB 4.3Å; Y596-L782 HydrophobicContact CD1-CD1 3.84Å; Y596-L782 HydrophobicContact CE1-CB 3.84Å; Y596-L782 HydrophobicContact CE1-CD1 4.09Å; Y596-L782 HydrophobicContact CE1-CG 4.36Å; Y596-L782 HydrophobicContact CE2-CB 4.33Å; Y596-L782 HydrophobicContact CG-CD1 4.44Å; Y596-L942 PolarHBondContact OH-O 3.02Å
597	A	82.9	Confident	82.7	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.041	19%	0.193	C	C	.	.			trans	50.5	42	179.4	0	0	0	0	0	112.8	D594 R599 N600 R893 F897	D594-A597 PolarHBondContact O-N 2.59Å; D594-A597 WeakPolarHBondContact OD1-CA 3.5Å; D594-A597 PolarHBondContact OD1-N 2.88Å; D594-A597 WeakPolarHBondContact OD2-CA 2.94Å; A597-R599 VanDerWaalsContact C-N 3.26Å; A597-R599 PolarHBondContact O-N 3.41Å; A597-N600 PolarHBondContact O-N 2.5Å; A597-R893 HydrophobicContact CB-CB 4.37Å; A597-F897 HydrophobicContact CB-CB 3.93Å; A597-F897 HydrophobicContact CB-CG 4.31Å
598	N	83	Confident	83	Confident	13 Å²	13	35.2 Å²	35.2	7%	0.07	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.1	-177.4	-85.4	-23.5	0	0	0	112	F587 D594 Y596 N600 A778 P779 R785	F587-N598 WeakPolarHBondContact CD2-O 3.46Å; D594-N598 PolarHBondContact OD1-N 3.33Å; D594-N598 PolarHBondContact OD2-N 3.32Å; Y596-N598 PolarHBondContact O-N 2.79Å; N598-N600 VanDerWaalsContact C-N 3.26Å; N598-N600 PolarHBondContact O-N 3.19Å; N598-A778 HydrophobicContact CB-CB 4.11Å; N598-P779 PolarHBondContact ND2-O 3.29Å; N598-R785 VanDerWaalsContact OD1-CD 3.28Å; N598-R785 WeakPolarHBondContact OD1-CD 3.27Å; N598-R785 PolarHBondContact OD1-NE 2.93Å
599	R	84.3	Confident	83.5	Confident	97 Å²	97	34.6 Å²	34.6	37%	0.366	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.2	176.4	-67.7	177.5	177.7	-179	3	113.2	I590 D594 A597 T601 E890	I590-R599 HydrophobicContact CD1-CB 4.46Å; I590-R599 HydrophobicContact CD1-CG 3.37Å; D594-R599 WeakPolarHBondContact OD2-CB 3.14Å; D594-R599 VanDerWaalsContact OD2-CG 3.24Å; D594-R599 WeakPolarHBondContact OD2-CG 3.33Å; D594-R599 PolarHBondContact OD2-N 2.86Å; A597-R599 VanDerWaalsContact C-N 3.26Å; A597-R599 PolarHBondContact O-N 3.41Å; R599-T601 HydrophobicContact CB-CG2 3.82Å; R599-T601 PolarHBondContact O-N 3.19Å; R599-T601 VanDerWaalsContact O-N 3.16Å; R599-E890 WeakPolarHBondContact CD-OE1 3.36Å; R599-E890 IonicContact CZ-OE1 2.66Å; R599-E890 IonicContact NH1-OE1 2.82Å; R599-E890 PolarHBondContact NH1-OE1 2.81Å
600	N	86.4	Confident	84.5	Confident	32 Å²	32	31.4 Å²	31.4	17%	0.171	15%	0.149	C	C	.	.			trans	48.2	40.8	-178.8	-161.8	12.5	0	0	0	113.6	A597 N598 V602 F603 F604	A597-N600 PolarHBondContact O-N 2.5Å; N598-N600 VanDerWaalsContact C-N 3.26Å; N598-N600 PolarHBondContact O-N 3.19Å; N600-V602 VanDerWaalsContact C-N 3.27Å; N600-V602 PolarHBondContact O-N 3.43Å; N600-F603 PolarHBondContact O-N 3.45Å; N600-F603 VanDerWaalsContact O-N 3.15Å; N600-F603 VanDerWaalsContact OD1-CB 3.22Å; N600-F603 WeakPolarHBondContact OD1-CB 3.35Å; N600-F604 HydrophobicContact CB-CD2 4.3Å; N600-F604 HydrophobicContact CB-CE2 4.31Å; N600-F604 WeakPolarHBondContact O-CD2 3.49Å; N600-F604 PolarHBondContact O-N 3Å
601	T	87.6	Confident	85.5	Confident	10 Å²	10	30.3 Å²	30.3	6%	0.061	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-31.2	-174.3	53.2	0	0	0	0	112.4	R599 F603 F604 D605 E890	R599-T601 HydrophobicContact CB-CG2 3.82Å; R599-T601 PolarHBondContact O-N 3.19Å; R599-T601 VanDerWaalsContact O-N 3.16Å; T601-F603 VanDerWaalsContact C-N 3.32Å; T601-F603 PolarHBondContact O-N 3.21Å; T601-F604 PolarHBondContact O-N 3.36Å; T601-D605 WeakPolarHBondContact O-CA 3.42Å; T601-D605 VanDerWaalsContact O-CB 3.26Å; T601-D605 WeakPolarHBondContact O-CB 3.33Å; T601-D605 PolarHBondContact O-N 3.4Å; T601-E890 WeakPolarHBondContact CG2-OE2 3.47Å; T601-E890 PolarHBondContact OG1-OE2 2.97Å
602	V	89.4	Confident	86.6	Confident	9 Å²	9	29.4 Å²	29.4	6%	0.055	14%	0.138	C	C	.	.	I	π-helix	trans	-59.5	-43.4	174.7	177.1	0	0	0	0	111.2	N600 I606 N607 N894	N600-V602 VanDerWaalsContact C-N 3.27Å; N600-V602 PolarHBondContact O-N 3.43Å; V602-I606 HydrophobicContact CB-CD1 4.44Å; V602-I606 HydrophobicContact CG1-CD1 4.18Å; V602-I606 HydrophobicContact CG2-CD1 4.4Å; V602-I606 WeakPolarHBondContact O-CA 3.5Å; V602-I606 WeakPolarHBondContact O-CB 3.38Å; V602-I606 PolarHBondContact O-N 2.72Å; V602-N607 PolarHBondContact O-N 3.5Å; V602-N607 VanDerWaalsContact O-N 3.13Å; V602-N894 HydrophobicContact CB-CB 4.41Å; V602-N894 HydrophobicContact CG2-CB 3.79Å
603	F	91.6	Very high	87.7	Confident	58 Å²	58	23.3 Å²	23.3	25%	0.254	11%	0.114	S	C	.	.	I	π-helix	trans	-70.1	-49.2	178.6	179.9	-108.9	0	0	0	112.4	N600 T601 N607 M608 V620	N600-F603 PolarHBondContact O-N 3.45Å; N600-F603 VanDerWaalsContact O-N 3.15Å; N600-F603 VanDerWaalsContact OD1-CB 3.22Å; N600-F603 WeakPolarHBondContact OD1-CB 3.35Å; T601-F603 VanDerWaalsContact C-N 3.32Å; T601-F603 PolarHBondContact O-N 3.21Å; F603-N607 HydrophobicContact CD2-CB 4.35Å; F603-N607 WeakPolarHBondContact O-CB 3.49Å; F603-N607 PolarHBondContact O-N 2.97Å; F603-M608 HydrophobicContact CD1-CE 4.1Å; F603-M608 HydrophobicContact CD2-CE 4.09Å; F603-M608 HydrophobicContact CE1-CE 3.36Å; F603-M608 HydrophobicContact CE2-CE 3.34Å; F603-M608 HydrophobicContact CG-CE 4.44Å; F603-M608 HydrophobicContact CZ-CE 2.95Å; F603-M608 WeakPolarHBondContact O-CG 3.35Å; F603-M608 PolarHBondContact O-N 3.49Å; F603-V620 HydrophobicContact CE1-CG1 3.9Å; F603-V620 HydrophobicContact CZ-CG1 4.09Å
604	F	92.4	Very high	88.8	Confident	7 Å²	7	19.2 Å²	19.2	3%	0.031	10%	0.095	C	C	.	.	I	π-helix	trans	-76.4	-38.6	-175	-71.6	-62.3	0	0	0	113.5	P584 Q585 N600 T601 M608 V620 Y766	P584-F604 HydrophobicContact CB-CB 4.47Å; Q585-F604 HydrophobicContact CB-CE1 4.31Å; Q585-F604 HydrophobicContact CB-CE2 4.05Å; Q585-F604 HydrophobicContact CB-CZ 3.66Å; Q585-F604 HydrophobicContact CG-CE1 4.39Å; Q585-F604 HydrophobicContact CG-CZ 4Å; N600-F604 HydrophobicContact CB-CD2 4.3Å; N600-F604 HydrophobicContact CB-CE2 4.31Å; N600-F604 WeakPolarHBondContact O-CD2 3.49Å; N600-F604 PolarHBondContact O-N 3Å; T601-F604 PolarHBondContact O-N 3.36Å; F604-M608 HydrophobicContact CD1-CG 4.42Å; F604-M608 WeakPolarHBondContact O-CB 3.39Å; F604-V620 HydrophobicContact CE1-CG2 4.33Å; F604-Y766 WeakPolarHBondContact CB-OH 3.47Å; F604-Y766 VanDerWaalsContact O-CE1 3.22Å; F604-Y766 WeakPolarHBondContact O-CE1 3.45Å; F604-Y766 PolarHBondContact O-OH 2.88Å
605	D	92.5	Very high	89.5	Confident	20 Å²	20	19 Å²	19	11%	0.107	9%	0.094	C	C	.	.	I	π-helix	trans	-100.9	-12.4	-171.6	-59.5	-14.7	0	0	0	113.2	R586 T601 K609 M768 V886	R586-D605 IonicContact CZ-OD1 3.83Å; R586-D605 IonicContact CZ-OD2 2.94Å; R586-D605 IonicContact NH2-OD1 2.8Å; R586-D605 PolarHBondContact NH2-OD1 3.03Å; R586-D605 IonicContact NH2-OD2 3.3Å; R586-D605 PolarHBondContact NH2-OD2 2.92Å; T601-D605 WeakPolarHBondContact O-CA 3.42Å; T601-D605 VanDerWaalsContact O-CB 3.26Å; T601-D605 WeakPolarHBondContact O-CB 3.33Å; T601-D605 PolarHBondContact O-N 3.4Å; D605-K609 VanDerWaalsContact O-CD 3.27Å; D605-K609 WeakPolarHBondContact O-CD 3.5Å; D605-M768 WeakPolarHBondContact OD1-CE 3.45Å; D605-V886 HydrophobicContact CB-CG2 4.16Å
606	I	92.7	Very high	90.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-112.4	-62.9	174.2	-55.7	171.9	0	0	0	110.5	K315 V602 G610 E880 W883 S884 V886	K315-I606 HydrophobicContact CD-CG2 4.24Å; V602-I606 HydrophobicContact CB-CD1 4.44Å; V602-I606 HydrophobicContact CG1-CD1 4.18Å; V602-I606 HydrophobicContact CG2-CD1 4.4Å; V602-I606 WeakPolarHBondContact O-CA 3.5Å; V602-I606 WeakPolarHBondContact O-CB 3.38Å; V602-I606 PolarHBondContact O-N 2.72Å; I606-G610 PolarHBondContact O-N 3.07Å; I606-E880 HydrophobicContact CD1-CG 4.15Å; I606-E880 HydrophobicContact CG2-CG 3.92Å; I606-W883 HydrophobicContact CB-CH2 4.3Å; I606-W883 HydrophobicContact CG2-CH2 3.84Å; I606-W883 HydrophobicContact CG2-CZ2 3.64Å; I606-S884 VanDerWaalsContact CG1-CB 3.48Å; I606-V886 HydrophobicContact CD1-CB 4.48Å; I606-V886 HydrophobicContact CD1-CG2 4.1Å; I606-V886 HydrophobicContact CG1-CG2 4.14Å
607	N	93.4	Very high	91.5	Very high	33 Å²	33	17.2 Å²	17.2	18%	0.176	9%	0.087	C	C	.	.	I	π-helix	trans	-65.5	-49.9	-171.5	-65	0.7	0	0	0	112	K315 V602 F603 K609 G610 L611	K315-N607 WeakPolarHBondContact CE-OD1 3.26Å; V602-N607 PolarHBondContact O-N 3.5Å; V602-N607 VanDerWaalsContact O-N 3.13Å; F603-N607 HydrophobicContact CD2-CB 4.35Å; F603-N607 WeakPolarHBondContact O-CB 3.49Å; F603-N607 PolarHBondContact O-N 2.97Å; N607-K609 VanDerWaalsContact C-N 3.33Å; N607-K609 PolarHBondContact O-N 3.08Å; N607-G610 WeakPolarHBondContact O-CA 3.24Å; N607-G610 PolarHBondContact O-N 2.98Å; N607-G610 VanDerWaalsContact O-N 3.08Å; N607-L611 WeakPolarHBondContact O-CG 3.3Å; N607-L611 PolarHBondContact O-N 2.97Å
608	M	94.6	Very high	92.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-37.9	-177.8	-70.3	-61.9	148.9	0	0	113.1	F603 F604 G610 L611 D612 P617 V618 V620 Y766	F603-M608 HydrophobicContact CD1-CE 4.1Å; F603-M608 HydrophobicContact CD2-CE 4.09Å; F603-M608 HydrophobicContact CE1-CE 3.36Å; F603-M608 HydrophobicContact CE2-CE 3.34Å; F603-M608 HydrophobicContact CG-CE 4.44Å; F603-M608 HydrophobicContact CZ-CE 2.95Å; F603-M608 WeakPolarHBondContact O-CG 3.35Å; F603-M608 PolarHBondContact O-N 3.49Å; F604-M608 HydrophobicContact CD1-CG 4.42Å; F604-M608 WeakPolarHBondContact O-CB 3.39Å; M608-G610 VanDerWaalsContact C-N 3.3Å; M608-G610 PolarHBondContact O-N 3.3Å; M608-L611 HydrophobicContact CE-CD1 4.36Å; M608-L611 PolarHBondContact O-N 3.29Å; M608-L611 HydrophobicContact SD-CD1 4.21Å; M608-D612 WeakPolarHBondContact O-CB 3.22Å; M608-D612 PolarHBondContact O-N 3.44Å; M608-P617 HydrophobicContact SD-CB 3.48Å; M608-P617 WeakPolarHBondContact SD-CB 3.36Å; M608-V618 HydrophobicContact CE-CG2 3.51Å; M608-V618 HydrophobicContact SD-CG2 4.34Å; M608-V620 HydrophobicContact CE-CG1 4.34Å; M608-Y766 HydrophobicContact CB-CD1 3.86Å; M608-Y766 HydrophobicContact CB-CD2 4.13Å; M608-Y766 HydrophobicContact CB-CE1 3.57Å; M608-Y766 HydrophobicContact CB-CE2 3.89Å; M608-Y766 HydrophobicContact CB-CG 4.13Å; M608-Y766 HydrophobicContact CG-CE2 4.16Å
609	K	94.4	Very high	92.7	Very high	22 Å²	22	16.6 Å²	16.6	10%	0.096	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-38.5	173.7	-65.7	-165.4	-179.3	-168.2	0	112.2	P318 I319 D320 D605 N607 Y766 M768 W883	P318-K609 WeakPolarHBondContact CA-O 3.49Å; I319-K609 PolarHBondContact N-O 3.36Å; D320-K609 WeakPolarHBondContact OD1-CD 3.27Å; D320-K609 VanDerWaalsContact OD1-CE 3.29Å; D320-K609 WeakPolarHBondContact OD1-CE 3.17Å; D320-K609 IonicContact OD1-NZ 3.05Å; D320-K609 PolarHBondContact OD1-NZ 3.13Å; D605-K609 VanDerWaalsContact O-CD 3.27Å; D605-K609 WeakPolarHBondContact O-CD 3.5Å; N607-K609 VanDerWaalsContact C-N 3.33Å; N607-K609 PolarHBondContact O-N 3.08Å; K609-Y766 HydrophobicContact CG-CD1 4.34Å; K609-Y766 HydrophobicContact CG-CE1 4.32Å; K609-M768 HydrophobicContact CD-SD 4.32Å; K609-M768 WeakPolarHBondContact CE-SD 3.34Å; K609-M768 HydrophobicContact CG-SD 4.22Å; K609-W883 HydrophobicContact CB-CZ3 4.44Å; K609-W883 HydrophobicContact CD-CZ3 4.34Å
610	G	93.7	Very high	93.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.8	-49.1	173	0	0	0	0	0	112.6	P314 I606 N607 M608 D612 G613	P314-G610 CarbonylContact O-C 3.53Å; I606-G610 PolarHBondContact O-N 3.07Å; N607-G610 WeakPolarHBondContact O-CA 3.24Å; N607-G610 PolarHBondContact O-N 2.98Å; N607-G610 VanDerWaalsContact O-N 3.08Å; M608-G610 VanDerWaalsContact C-N 3.3Å; M608-G610 PolarHBondContact O-N 3.3Å; G610-D612 PolarHBondContact O-N 3.06Å; G610-G613 PolarHBondContact O-N 2.96Å
611	L	94.8	Very high	93.3	Very high	12 Å²	12	11.7 Å²	11.7	6%	0.063	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-36.8	179.2	-62.9	179.2	0	0	0	112.9	P314 N607 M608 G613 I614 Q615 G616 V618 A823	P314-L611 HydrophobicContact CB-CD2 3.74Å; N607-L611 WeakPolarHBondContact O-CG 3.3Å; N607-L611 PolarHBondContact O-N 2.97Å; M608-L611 HydrophobicContact CE-CD1 4.36Å; M608-L611 PolarHBondContact O-N 3.29Å; M608-L611 HydrophobicContact SD-CD1 4.21Å; L611-G613 PolarHBondContact O-N 2.91Å; L611-I614 PolarHBondContact O-N 3.42Å; L611-Q615 PolarHBondContact O-N 3.09Å; L611-G616 PolarHBondContact O-N 2.94Å; L611-V618 HydrophobicContact CD1-CG1 4.33Å; L611-A823 HydrophobicContact CD2-CB 3.38Å
612	D	95.6	Very high	93.6	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.011	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-30.1	-179.7	-172	32.6	0	0	0	113.5	I319 R321 M608 G610 I614 R763 Y766	I319-D612 HydrophobicContact CD1-CB 4.32Å; I319-D612 WeakPolarHBondContact CD1-O 3.33Å; I319-D612 WeakPolarHBondContact CD1-OD2 3.32Å; I319-D612 HydrophobicContact CG1-CB 4.07Å; R321-D612 WeakPolarHBondContact CD-OD2 3.46Å; R321-D612 IonicContact CZ-OD1 3.27Å; R321-D612 IonicContact CZ-OD2 3.62Å; R321-D612 IonicContact NE-OD1 2.82Å; R321-D612 PolarHBondContact NE-OD1 3.4Å; R321-D612 IonicContact NE-OD2 2.75Å; R321-D612 PolarHBondContact NE-OD2 3.13Å; R321-D612 IonicContact NH2-OD1 3.15Å; R321-D612 PolarHBondContact NH2-OD1 3.29Å; R321-D612 IonicContact NH2-OD2 3.59Å; M608-D612 WeakPolarHBondContact O-CB 3.22Å; M608-D612 PolarHBondContact O-N 3.44Å; G610-D612 PolarHBondContact O-N 3.06Å; D612-I614 VanDerWaalsContact C-N 3.3Å; D612-I614 PolarHBondContact O-N 3.43Å; D612-R763 PolarHBondContact O-NH2 3.3Å; D612-R763 VanDerWaalsContact O-NH2 3.17Å; D612-Y766 PolarHBondContact OD1-N 2.86Å
613	G	93.3	Very high	93.9	Very high	23 Å²	23	10.9 Å²	10.9	24%	0.237	6%	0.062	C	C	.	.	H	α-helix	trans	-70.2	-24.6	173.6	0	0	0	0	0	114.2	F317 G610 L611	F317-G613 VanDerWaalsContact O-CA 3.3Å; F317-G613 WeakPolarHBondContact O-CA 3.45Å; G610-G613 PolarHBondContact O-N 2.96Å; L611-G613 PolarHBondContact O-N 2.91Å
614	I	93.8	Very high	94.1	Very high	9 Å²	9	8.1 Å²	8.1	5%	0.046	5%	0.05	C	C	.	.	H	α-helix	trans	-90.2	-84.6	-177.6	-58.8	158.4	0	0	0	109.6	P314 F317 L611 D612 K817 L819 E820	P314-I614 VanDerWaalsContact O-CD1 3.31Å; P314-I614 WeakPolarHBondContact O-CD1 3.44Å; F317-I614 HydrophobicContact CD2-CG1 4.37Å; L611-I614 PolarHBondContact O-N 3.42Å; D612-I614 VanDerWaalsContact C-N 3.3Å; D612-I614 PolarHBondContact O-N 3.43Å; I614-K817 HydrophobicContact CG2-CB 3.95Å; I614-K817 HydrophobicContact CG2-CD 3.76Å; I614-K817 HydrophobicContact CG2-CG 4.5Å; I614-K817 PolarHBondContact O-NZ 3.23Å; I614-L819 HydrophobicContact CD1-CB 3.71Å; I614-L819 HydrophobicContact CD1-CD1 4.19Å; I614-L819 HydrophobicContact CG1-CB 4.27Å; I614-L819 HydrophobicContact CG1-CD1 4.31Å; I614-L819 HydrophobicContact CG2-CB 4.04Å; I614-E820 HydrophobicContact CG2-CB 4.09Å
615	Q	94.6	Very high	94.4	Very high	9 Å²	9	7.8 Å²	7.8	4%	0.042	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-13.2	-179.3	-170.2	162	-15.2	0	0	112.5	L611 H758 W762 R763 S764 K817 E820	L611-Q615 PolarHBondContact O-N 3.09Å; Q615-H758 PolarHBondContact NE2-O 3.22Å; Q615-W762 PolarHBondContact NE2-O 3.48Å; Q615-R763 WeakPolarHBondContact O-CG 3.45Å; Q615-S764 PolarHBondContact O-N 3.06Å; Q615-S764 VanDerWaalsContact O-N 3.16Å; Q615-K817 HydrophobicContact CB-CD 4.33Å; Q615-E820 HydrophobicContact CB-CB 4.17Å; Q615-E820 HydrophobicContact CB-CG 3.86Å
616	G	94.5	Very high	94.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.043	C	C	.	.			trans	126.1	165	-179.3	0	0	0	0	0	112.1	L611 S764	L611-G616 PolarHBondContact O-N 2.94Å; G616-S764 VanDerWaalsContact CA-O 3.32Å; G616-S764 WeakPolarHBondContact CA-O 3.29Å; G616-S764 WeakPolarHBondContact CA-OG 3.44Å
617	P	96	Very high	94.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.049	C	C	.	.	P	Polyproline II helix	trans	-66.2	154.9	175.7	30.9	-38.7	0	0	0	112.4	Y580 Q582 M608 S764 Y766	Y580-P617 WeakPolarHBondContact CE2-O 3.4Å; Y580-P617 PolarHBondContact OH-O 2.94Å; Q582-P617 HydrophobicContact CB-CB 4.3Å; Q582-P617 HydrophobicContact CB-CG 3.72Å; Q582-P617 HydrophobicContact CG-CG 4.44Å; M608-P617 HydrophobicContact SD-CB 3.48Å; M608-P617 WeakPolarHBondContact SD-CB 3.36Å; P617-S764 WeakPolarHBondContact CD-OG 3.41Å; P617-S764 VanDerWaalsContact N-OG 3.1Å; P617-S764 PolarHBondContact O-OG 3.47Å; P617-Y766 HydrophobicContact CB-CD2 4Å; P617-Y766 HydrophobicContact CB-CG 4.37Å; P617-Y766 HydrophobicContact CG-CD2 3.99Å; P617-Y766 HydrophobicContact CG-CG 4.28Å
618	V	95.2	Very high	94.9	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.024	4%	0.041	C	C	.	.	P	Polyproline II helix	trans	-72	153.7	166.7	-56.3	0	0	0	0	110.4	M608 L611 V620 Y824	M608-V618 HydrophobicContact CE-CG2 3.51Å; M608-V618 HydrophobicContact SD-CG2 4.34Å; L611-V618 HydrophobicContact CD1-CG1 4.33Å; V618-V620 HydrophobicContact CG2-CG1 4.16Å; V618-Y824 HydrophobicContact CB-CE1 4.34Å; V618-Y824 HydrophobicContact CG1-CD1 4.21Å; V618-Y824 HydrophobicContact CG1-CE1 3.48Å; V618-Y824 VanDerWaalsContact CG1-CE1 3.48Å
619	Y	96	Very high	94.8	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	P	Polyproline II helix	trans	-78.3	131.4	173.9	168.4	-131.5	0	0	0	110.3	N549 Y580 G621 C624 F626 W742 D750	N549-Y619 PolarHBondContact ND2-OH 2.97Å; Y580-Y619 PolarHBondContact OH-N 3.29Å; Y619-G621 VanDerWaalsContact CZ-CA 3.48Å; Y619-G621 VanDerWaalsContact OH-CA 3.31Å; Y619-G621 WeakPolarHBondContact OH-CA 3.27Å; Y619-G621 PolarHBondContact OH-O 3.23Å; Y619-C624 HydrophobicContact CD2-CB 3.89Å; Y619-C624 HydrophobicContact CE2-CB 3.93Å; Y619-F626 HydrophobicContact CD1-CE1 4.43Å; Y619-F626 AromaticContact CD1-CZ 3.77Å; Y619-F626 HydrophobicContact CD1-CZ 3.77Å; Y619-F626 HydrophobicContact CD2-CE2 4.08Å; Y619-F626 AromaticContact CD2-CZ 3.5Å; Y619-F626 HydrophobicContact CD2-CZ 3.5Å; Y619-F626 VanDerWaalsContact CD2-CZ 3.5Å; Y619-F626 AromaticContact CE1-CZ 3.88Å; Y619-F626 HydrophobicContact CE1-CZ 3.88Å; Y619-F626 AromaticContact CE2-CE2 3.78Å; Y619-F626 HydrophobicContact CE2-CE2 3.78Å; Y619-F626 AromaticContact CE2-CZ 3.57Å; Y619-F626 HydrophobicContact CE2-CZ 3.57Å; Y619-F626 HydrophobicContact CG-CE1 4.35Å; Y619-F626 AromaticContact CG-CZ 3.64Å; Y619-F626 HydrophobicContact CG-CZ 3.64Å; Y619-F626 AromaticContact CZ-CZ 3.8Å; Y619-W742 HydrophobicContact CE1-CZ2 4.43Å; Y619-W742 AromaticContact CE1-NE1 3.4Å; Y619-W742 AromaticContact CZ-NE1 3.79Å; Y619-W742 PolarHBondContact OH-NE1 2.89Å; Y619-D750 VanDerWaalsContact CD1-CA 3.47Å; Y619-D750 HydrophobicContact CD1-CB 3.67Å; Y619-D750 WeakPolarHBondContact CD1-O 3.25Å; Y619-D750 VanDerWaalsContact CE1-CA 3.48Å; Y619-D750 HydrophobicContact CE1-CB 3.5Å; Y619-D750 HydrophobicContact CG-CB 4.36Å
620	V	92.7	Very high	94.8	Very high	22 Å²	22	7 Å²	7	13%	0.133	4%	0.042	C	C	.	.			trans	-118.7	17.4	-169.8	-64.9	0	0	0	0	114.3	Q582 Q585 F603 F604 M608 V618	Q582-V620 HydrophobicContact CG-CG2 4.13Å; Q582-V620 VanDerWaalsContact NE2-CG2 3.32Å; Q585-V620 PolarHBondContact NE2-O 2.88Å; F603-V620 HydrophobicContact CE1-CG1 3.9Å; F603-V620 HydrophobicContact CZ-CG1 4.09Å; F604-V620 HydrophobicContact CE1-CG2 4.33Å; M608-V620 HydrophobicContact CE-CG1 4.34Å; V618-V620 HydrophobicContact CG2-CG1 4.16Å
621	G	91.3	Very high	94.8	Very high	5 Å²	5	7.1 Å²	7.1	5%	0.052	4%	0.042	C	C	.	.	S	Bend	trans	99	-20.8	167.9	0	0	0	0	0	117.3	K527 N549 Y619	K527-G621 PolarHBondContact NZ-O 3Å; N549-G621 PolarHBondContact ND2-O 3.25Å; Y619-G621 VanDerWaalsContact CZ-CA 3.48Å; Y619-G621 VanDerWaalsContact OH-CA 3.31Å; Y619-G621 WeakPolarHBondContact OH-CA 3.27Å; Y619-G621 PolarHBondContact OH-O 3.23Å
622	T	93.3	Very high	94.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-155.9	160.2	-179.1	-178.2	0	0	0	0	111.5	D551 Q582 Q585	D551-T622 PolarHBondContact N-OG1 3.41Å; Q582-T622 PolarHBondContact NE2-O 2.92Å; Q585-T622 HydrophobicContact CG-CG2 3.77Å
623	G	94.7	Very high	94.5	Very high	2 Å²	2	6.8 Å²	6.8	2%	0.021	4%	0.042	C	C	.	.	S	Bend	trans	68	38.8	176.2	0	0	0	0	0	112.9	N549 Q582 F583	N549-G623 PolarHBondContact O-N 3.32Å; Q582-G623 PolarHBondContact NE2-O 3.24Å; F583-G623 WeakPolarHBondContact CB-O 3.33Å; F583-G623 WeakPolarHBondContact CD2-O 3.38Å; F583-G623 PolarHBondContact N-O 2.82Å
624	C	97.1	Very high	94.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.5	-174.8	-167.3	0	0	0	0	111.4	L548 N549 Y580 V581 Y619 F626	L548-C624 WeakPolarHBondContact CA-O 3.08Å; N549-C624 PolarHBondContact N-O 3.11Å; N549-C624 VanDerWaalsContact OD1-CB 3.25Å; N549-C624 WeakPolarHBondContact OD1-CB 3.22Å; N549-C624 PolarHBondContact OD1-N 3.19Å; N549-C624 PolarHBondContact OD1-O 3.5Å; N549-C624 VanDerWaalsContact OD1-O 3.1Å; Y580-C624 VanDerWaalsContact CB-SG 3.56Å; Y580-C624 WeakPolarHBondContact CD2-SG 3.4Å; V581-C624 WeakPolarHBondContact O-CA 3.43Å; Y619-C624 HydrophobicContact CD2-CB 3.89Å; Y619-C624 HydrophobicContact CE2-CB 3.93Å; C624-F626 HydrophobicContact CB-CD2 4.32Å; C624-F626 HydrophobicContact CB-CE2 3.7Å; C624-F626 HydrophobicContact CB-CZ 4.22Å
625	V	97.6	Very high	94.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.5	177.2	-172.4	0	0	0	0	109.5	F546 M547 L548 A565 M566 L569 Y580 V581 F583	F546-V625 HydrophobicContact CB-CG1 4.11Å; M547-V625 CarbonylContact O-C 3.55Å; M547-V625 WeakPolarHBondContact O-CA 3.29Å; L548-V625 HydrophobicContact CB-CG2 4.09Å; L548-V625 HydrophobicContact CD1-CG2 3.82Å; L548-V625 HydrophobicContact CG-CG2 3.82Å; A565-V625 HydrophobicContact CB-CB 4.08Å; A565-V625 HydrophobicContact CB-CG1 4.39Å; A565-V625 HydrophobicContact CB-CG2 3.67Å; M566-V625 HydrophobicContact CE-CG1 4Å; L569-V625 HydrophobicContact CD1-CB 4.1Å; L569-V625 HydrophobicContact CD1-CG1 3.53Å; Y580-V625 CarbonylContact C-O 3.52Å; Y580-V625 WeakPolarHBondContact CA-O 3.31Å; Y580-V625 WeakPolarHBondContact CB-O 3.47Å; V581-V625 PolarHBondContact N-O 3.36Å; V581-V625 PolarHBondContact O-N 3.49Å; F583-V625 HydrophobicContact CE2-CG2 4.4Å
626	F	97.6	Very high	93.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147.2	-179.5	-68.2	-92.1	0	0	0	112.7	F546 M547 C579 Y580 Y619 C624 L631 W742 M757	F546-F626 CarbonylContact C-O 3.58Å; F546-F626 VanDerWaalsContact CA-O 3.23Å; F546-F626 WeakPolarHBondContact CA-O 3.39Å; M547-F626 PolarHBondContact N-O 2.98Å; M547-F626 PolarHBondContact O-N 3.23Å; C579-F626 CarbonylContact O-C 3.58Å; C579-F626 WeakPolarHBondContact O-CA 3.38Å; Y580-F626 AromaticContact CD1-CD1 3.93Å; Y580-F626 HydrophobicContact CD1-CD1 3.93Å; Y580-F626 AromaticContact CD1-CE1 3.67Å; Y580-F626 HydrophobicContact CD1-CE1 3.67Å; Y580-F626 HydrophobicContact CE1-CE1 4.39Å; Y580-F626 HydrophobicContact CG-CD1 4.11Å; Y580-F626 AromaticContact CG-CE1 3.96Å; Y580-F626 HydrophobicContact CG-CE1 3.96Å; Y619-F626 HydrophobicContact CD1-CE1 4.43Å; Y619-F626 AromaticContact CD1-CZ 3.77Å; Y619-F626 HydrophobicContact CD1-CZ 3.77Å; Y619-F626 HydrophobicContact CD2-CE2 4.08Å; Y619-F626 AromaticContact CD2-CZ 3.5Å; Y619-F626 HydrophobicContact CD2-CZ 3.5Å; Y619-F626 VanDerWaalsContact CD2-CZ 3.5Å; Y619-F626 AromaticContact CE1-CZ 3.88Å; Y619-F626 HydrophobicContact CE1-CZ 3.88Å; Y619-F626 AromaticContact CE2-CE2 3.78Å; Y619-F626 HydrophobicContact CE2-CE2 3.78Å; Y619-F626 AromaticContact CE2-CZ 3.57Å; Y619-F626 HydrophobicContact CE2-CZ 3.57Å; Y619-F626 HydrophobicContact CG-CE1 4.35Å; Y619-F626 AromaticContact CG-CZ 3.64Å; Y619-F626 HydrophobicContact CG-CZ 3.64Å; Y619-F626 AromaticContact CZ-CZ 3.8Å; C624-F626 HydrophobicContact CB-CD2 4.32Å; C624-F626 HydrophobicContact CB-CE2 3.7Å; C624-F626 HydrophobicContact CB-CZ 4.22Å; F626-L631 HydrophobicContact CB-CD1 3.57Å; F626-L631 HydrophobicContact CB-CG 4.36Å; F626-L631 HydrophobicContact CD1-CD1 4.11Å; F626-L631 HydrophobicContact CD1-CD2 4.23Å; F626-L631 HydrophobicContact CD1-CG 4.23Å; F626-L631 HydrophobicContact CG-CD1 3.89Å; F626-W742 HydrophobicContact CD2-CH2 4.17Å; F626-W742 HydrophobicContact CD2-CZ2 4.27Å; F626-W742 HydrophobicContact CE2-CH2 4.19Å; F626-W742 AromaticContact CE2-CZ2 3.82Å; F626-W742 HydrophobicContact CE2-CZ2 3.82Å; F626-W742 HydrophobicContact CZ-CZ2 4.08Å; F626-M757 HydrophobicContact CD1-CE 4.22Å; F626-M757 HydrophobicContact CD1-SD 4.33Å; F626-M757 HydrophobicContact CE1-SD 4.21Å
627	R	96.4	Very high	93.3	Very high	30 Å²	30	16.5 Å²	16.5	11%	0.113	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.9	161.8	-178.2	-179.7	-68.6	-83.1	-2.8	109.2	F546 L569 G575 V578 C579 Q629 A630 L631	F546-R627 HydrophobicContact CD1-CB 4.37Å; F546-R627 HydrophobicContact CE1-CB 4.31Å; F546-R627 HydrophobicContact CE1-CG 4.34Å; L569-R627 PolarHBondContact O-NH2 3.37Å; G575-R627 PolarHBondContact O-NH2 2.96Å; V578-R627 PolarHBondContact O-NE 2.93Å; V578-R627 VanDerWaalsContact O-NE 3.14Å; C579-R627 PolarHBondContact O-N 3.38Å; R627-Q629 HydrophobicContact CG-CB 4.38Å; R627-Q629 PolarHBondContact O-N 3.06Å; R627-A630 HydrophobicContact CB-CB 4.26Å; R627-A630 WeakPolarHBondContact O-CB 3.21Å; R627-A630 PolarHBondContact O-N 3.07Å; R627-A630 VanDerWaalsContact O-N 3.07Å; R627-L631 PolarHBondContact O-N 2.71Å
628	R	95.5	Very high	92.1	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.011	13%	0.133	C	C	.	.	H	α-helix	trans	-54.1	-47.7	-179.5	177.5	177.6	-65.1	-83.9	-2.5	113.2	D345 I535 S538 A544 P545 M547 A630 L631 Y632	D345-R628 IonicContact OD2-NH2 3.42Å; D345-R628 PolarHBondContact OD2-NH2 3.33Å; D345-R628 VanDerWaalsContact OD2-NH2 3.09Å; I535-R628 PolarHBondContact O-NH1 2.96Å; S538-R628 PolarHBondContact OG-NH2 3.03Å; A544-R628 PolarHBondContact O-NE 3.45Å; A544-R628 PolarHBondContact O-NH2 3.22Å; A544-R628 VanDerWaalsContact O-NH2 3.12Å; P545-R628 VanDerWaalsContact O-CB 3.3Å; P545-R628 WeakPolarHBondContact O-CB 3.39Å; P545-R628 PolarHBondContact O-N 3.26Å; M547-R628 HydrophobicContact CE-CB 3.77Å; M547-R628 HydrophobicContact CE-CG 4.04Å; M547-R628 PolarHBondContact SD-NH2 3.39Å; R628-A630 PolarHBondContact O-N 3.08Å; R628-L631 WeakPolarHBondContact O-CA 3.18Å; R628-L631 WeakPolarHBondContact O-CB 3.31Å; R628-L631 PolarHBondContact O-N 3.39Å; R628-Y632 VanDerWaalsContact CD-OH 3.3Å; R628-Y632 WeakPolarHBondContact CD-OH 3.47Å; R628-Y632 HydrophobicContact CG-CD2 3.92Å; R628-Y632 HydrophobicContact CG-CE1 4.28Å; R628-Y632 HydrophobicContact CG-CE2 3.26Å; R628-Y632 VanDerWaalsContact CG-CZ 3.45Å; R628-Y632 PolarHBondContact NH1-OH 3Å; R628-Y632 PolarHBondContact O-N 3.14Å
629	Q	92.6	Very high	90.4	Very high	26 Å²	26	27.9 Å²	27.9	12%	0.121	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-32.6	179	-65.9	-60.9	-17.4	0	0	113.4	R627 Y632 G633 Y634 T702	R627-Q629 HydrophobicContact CG-CB 4.38Å; R627-Q629 PolarHBondContact O-N 3.06Å; Q629-Y632 PolarHBondContact O-N 3.21Å; Q629-G633 PolarHBondContact O-N 3.5Å; Q629-Y634 PolarHBondContact O-N 3.11Å; Q629-T702 PolarHBondContact NE2-O 3.3Å
630	A	93.8	Very high	88.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71	-33.7	177.4	0	0	0	0	0	111.8	C579 R627 R628 G633 M757 W762	C579-A630 HydrophobicContact CB-CB 3.76Å; R627-A630 HydrophobicContact CB-CB 4.26Å; R627-A630 WeakPolarHBondContact O-CB 3.21Å; R627-A630 PolarHBondContact O-N 3.07Å; R627-A630 VanDerWaalsContact O-N 3.07Å; R628-A630 PolarHBondContact O-N 3.08Å; A630-G633 PolarHBondContact O-N 3.15Å; A630-G633 VanDerWaalsContact O-N 3.16Å; A630-M757 HydrophobicContact CB-CE 3.33Å; A630-W762 HydrophobicContact CB-CD2 3.93Å; A630-W762 HydrophobicContact CB-CE3 4.34Å; A630-W762 HydrophobicContact CB-CG 4.42Å; A630-W762 HydrophobicContact CB-CH2 4.24Å; A630-W762 HydrophobicContact CB-CZ2 3.79Å; A630-W762 HydrophobicContact CB-CZ3 4.49Å
631	L	94.5	Very high	85.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-73.3	-31.8	174	-74.7	163.3	0	0	0	112.2	I535 M547 F626 R627 R628 G633 G741 W742 T753 M757	I535-L631 HydrophobicContact CD1-CD1 4.48Å; M547-L631 HydrophobicContact CE-CD1 3.31Å; F626-L631 HydrophobicContact CB-CD1 3.57Å; F626-L631 HydrophobicContact CB-CG 4.36Å; F626-L631 HydrophobicContact CD1-CD1 4.11Å; F626-L631 HydrophobicContact CD1-CD2 4.23Å; F626-L631 HydrophobicContact CD1-CG 4.23Å; F626-L631 HydrophobicContact CG-CD1 3.89Å; R627-L631 PolarHBondContact O-N 2.71Å; R628-L631 WeakPolarHBondContact O-CA 3.18Å; R628-L631 WeakPolarHBondContact O-CB 3.31Å; R628-L631 PolarHBondContact O-N 3.39Å; L631-G633 PolarHBondContact O-N 2.98Å; L631-G633 VanDerWaalsContact O-N 3.08Å; L631-G741 PolarHBondContact O-N 3.02Å; L631-W742 HydrophobicContact CD1-CH2 3.77Å; L631-W742 HydrophobicContact CD1-CZ3 3.58Å; L631-W742 HydrophobicContact CD2-CE3 3.92Å; L631-W742 HydrophobicContact CD2-CH2 4.12Å; L631-W742 HydrophobicContact CD2-CZ3 3.7Å; L631-W742 HydrophobicContact CG-CZ3 4.25Å; L631-T753 HydrophobicContact CD2-CG2 4.24Å; L631-M757 HydrophobicContact CD2-CE 4.45Å; L631-M757 HydrophobicContact CD2-SD 4.31Å; L631-M757 HydrophobicContact CG-CE 4.36Å
632	Y	93.2	Very high	82.9	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	1.3	166.8	-64.2	-26.6	0	0	0	114	I535 A539 R628 Q629 Y634 R691 F692 F698 T702 W736 L740	I535-Y632 HydrophobicContact CG2-CD1 4.36Å; I535-Y632 HydrophobicContact CG2-CE1 3.47Å; I535-Y632 VanDerWaalsContact CG2-CE1 3.47Å; A539-Y632 VanDerWaalsContact CB-OH 3.23Å; A539-Y632 WeakPolarHBondContact CB-OH 3.22Å; R628-Y632 VanDerWaalsContact CD-OH 3.3Å; R628-Y632 WeakPolarHBondContact CD-OH 3.47Å; R628-Y632 HydrophobicContact CG-CD2 3.92Å; R628-Y632 HydrophobicContact CG-CE1 4.28Å; R628-Y632 HydrophobicContact CG-CE2 3.26Å; R628-Y632 VanDerWaalsContact CG-CZ 3.45Å; R628-Y632 PolarHBondContact NH1-OH 3Å; R628-Y632 PolarHBondContact O-N 3.14Å; Q629-Y632 PolarHBondContact O-N 3.21Å; Y632-Y634 VanDerWaalsContact C-N 3.29Å; Y632-Y634 PolarHBondContact O-N 3.02Å; Y632-R691 PolarHBondContact O-NH2 3.14Å; Y632-F692 HydrophobicContact CD1-CE1 4.12Å; Y632-F692 HydrophobicContact CG-CE1 4.03Å; Y632-F698 HydrophobicContact CE1-CE2 4.2Å; Y632-F698 AromaticContact CE1-CZ 3.77Å; Y632-F698 HydrophobicContact CE1-CZ 3.77Å; Y632-T702 HydrophobicContact CD2-CG2 4.02Å; Y632-T702 HydrophobicContact CE1-CG2 4.18Å; Y632-T702 HydrophobicContact CE2-CG2 3.63Å; Y632-T702 HydrophobicContact CG-CG2 4.46Å; Y632-W736 HydrophobicContact CD1-CH2 4.32Å; Y632-W736 HydrophobicContact CE1-CH2 4.15Å; Y632-L740 VanDerWaalsContact O-CD2 3.26Å; Y632-L740 WeakPolarHBondContact O-CD2 3.19Å
633	G	90.1	Very high	80.1	Confident	7 Å²	7	58.7 Å²	58.7	7%	0.072	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	15.1	172.5	0	0	0	0	0	114.6	Q629 A630 L631	Q629-G633 PolarHBondContact O-N 3.5Å; A630-G633 PolarHBondContact O-N 3.15Å; A630-G633 VanDerWaalsContact O-N 3.16Å; L631-G633 PolarHBondContact O-N 2.98Å; L631-G633 VanDerWaalsContact O-N 3.08Å
634	Y	90.4	Very high	77.6	Confident	60 Å²	60	67.9 Å²	67.9	24%	0.235	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.9	153.5	167.2	-70.1	-78.5	0	0	0	110.8	Q629 Y632 F692 W762	Q629-Y634 PolarHBondContact O-N 3.11Å; Y632-Y634 VanDerWaalsContact C-N 3.29Å; Y632-Y634 PolarHBondContact O-N 3.02Å; Y634-F692 AromaticContact CE2-CZ 3.99Å; Y634-F692 HydrophobicContact CE2-CZ 3.99Å; Y634-W762 PolarHBondContact O-NE1 3.03Å
635	N	89.1	Confident	74.8	Confident	102 Å²	102	76.4 Å²	76.4	55%	0.545	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-82	153.8	173.9	-69.6	-44.3	0	0	0	109.9
636	P	89	Confident	72.1	Confident	24 Å²	24	82.7 Å²	82.7	16%	0.156	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-59.1	145.8	174	27.6	-36.9	0	0	0	110.5	K638 W762	P636-K638 PolarHBondContact O-N 3.12Å; P636-W762 HydrophobicContact CB-CD2 3.93Å; P636-W762 HydrophobicContact CB-CE3 3.89Å; P636-W762 HydrophobicContact CB-CH2 4.26Å; P636-W762 HydrophobicContact CB-CZ2 4.31Å; P636-W762 HydrophobicContact CB-CZ3 4.06Å; P636-W762 HydrophobicContact CG-CD2 4.43Å
637	P	83.2	Confident	69.5	Low	58 Å²	58	88.1 Å²	88.1	38%	0.377	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-57.6	132.9	177.8	22.5	-32.3	0	0	0	110.1	R576 G639	R576-P637 HydrophobicContact CB-CG 4.02Å; R576-P637 VanDerWaalsContact O-CD 3.27Å; R576-P637 WeakPolarHBondContact O-CD 3.2Å; R576-P637 WeakPolarHBondContact O-CG 3.24Å; P637-G639 PolarHBondContact O-N 3.45Å; P637-G639 VanDerWaalsContact O-N 3.14Å
638	K	69.7	Low	66.9	Low	210 Å²	210	91 Å²	91	91%	0.913	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-65.2	117.3	175	-69	179	-176.1	169.7	0	107	P636	P636-K638 PolarHBondContact O-N 3.12Å
639	G	60.1	Low	64.6	Low	34 Å²	34	98.4 Å²	98.4	35%	0.351	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-58.1	156.8	174.8	0	0	0	0	0	110.6	P637 K641	P637-G639 PolarHBondContact O-N 3.45Å; P637-G639 VanDerWaalsContact O-N 3.14Å; G639-K641 PolarHBondContact O-N 3.08Å
640	P	48	Very low	63.3	Low	130 Å²	130	102.4 Å²	102.4	84%	0.844	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53.6	122.5	174	22.2	-31.6	0	0	0	108	R642	P640-R642 PolarHBondContact O-N 3.31Å
641	K	37.1	Very low	60.9	Low	197 Å²	197	107.1 Å²	107.1	86%	0.857	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-56	119.1	171.4	-75.2	178.2	-179.7	170.8	0	105.2	G639 P643	G639-K641 PolarHBondContact O-N 3.08Å; K641-P643 VanDerWaalsContact O-N 3.1Å
642	R	37.3	Very low	58.3	Low	226 Å²	226	113.2 Å²	113.2	85%	0.853	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-48.8	126.9	167.2	-75.4	-175.3	178.9	-171.6	-1.5	105.9	P640 K644	P640-R642 PolarHBondContact O-N 3.31Å; R642-K644 PolarHBondContact O-N 3.37Å
643	P	34.8	Very low	56.2	Low	121 Å²	121	117.7 Å²	117.7	79%	0.786	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-53.3	124.2	174.2	19.7	-28.5	0	0	0	106	K641 M645	K641-P643 VanDerWaalsContact O-N 3.1Å; P643-M645 PolarHBondContact O-N 2.98Å
644	K	41.5	Very low	53.8	Low	194 Å²	194	127.2 Å²	127.2	84%	0.843	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-52.6	123	170.4	-73.3	-180	176.6	178.5	0	104.7	R642 V646	R642-K644 PolarHBondContact O-N 3.37Å; K644-V646 PolarHBondContact O-N 2.68Å
645	M	38.5	Very low	51.4	Low	180 Å²	180	127.9 Å²	127.9	89%	0.887	71%	0.711	S	S	*	*			trans	-50.8	110.9	171.4	-90.9	173.5	68.2	0	0	106.4	P643 T647	P643-M645 PolarHBondContact O-N 2.98Å; M645-T647 PolarHBondContact O-N 3.18Å
646	V	42	Very low	49.1	Very low	131 Å²	131	134.3 Å²	134.3	79%	0.794	73%	0.728	S	S	*	*			trans	-61.8	109.9	166.9	179.2	0	0	0	0	103.8	K644 C648	K644-V646 PolarHBondContact O-N 2.68Å; V646-C648 PolarHBondContact O-N 3.41Å
647	T	41.6	Very low	46.8	Very low	115 Å²	115	142.3 Å²	142.3	71%	0.706	76%	0.76	S	S	*	*			trans	-55.4	116.4	170.1	42.2	0	0	0	0	106.5	M645 D649	M645-T647 PolarHBondContact O-N 3.18Å; T647-D649 PolarHBondContact O-N 2.95Å
648	C	42.8	Very low	44.5	Very low	89 Å²	89	149.1 Å²	149.1	60%	0.601	78%	0.784	S	S	*	*			trans	-56.2	120.9	177.1	179.1	0	0	0	0	109.3	V646 C650	V646-C648 PolarHBondContact O-N 3.41Å; C648-C650 PolarHBondContact O-N 3.1Å; C648-C650 VanDerWaalsContact SG-CB 3.53Å
649	D	47.2	Very low	42.9	Very low	160 Å²	160	150.6 Å²	150.6	86%	0.856	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	6.4	177.6	-75.6	-35.8	0	0	0	113.4	T647	T647-D649 PolarHBondContact O-N 2.95Å
650	C	64.7	Low	41.9	Very low	109 Å²	109	158 Å²	158	74%	0.736	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	2.6	-177.9	-56.5	0	0	0	0	115.1	C648	C648-C650 PolarHBondContact O-N 3.1Å; C648-C650 VanDerWaalsContact SG-CB 3.53Å
651	C	43.9	Very low	41.5	Very low	100 Å²	100	158.9 Å²	158.9	68%	0.676	80%	0.804	S	S	*	*			trans	-108.6	111.9	-179.4	-92.1	0	0	0	0	112.4	C653	C651-C653 PolarHBondContact O-N 3.12Å
652	P	39.5	Very low	41.4	Very low	131 Å²	131	154 Å²	154	85%	0.851	80%	0.8	S	S	*	*			trans	-71.6	20.7	-179.1	-16.2	30.4	0	0	0	116.6
653	C	49.4	Very low	41.5	Very low	94 Å²	94	153.2 Å²	153.2	64%	0.635	80%	0.803	S	S	*	*			trans	-102.4	-0.5	-158	-57.4	0	0	0	0	117.3	C651	C651-C653 PolarHBondContact O-N 3.12Å
654	F	40	Very low	41.6	Very low	207 Å²	207	155.1 Å²	155.1	91%	0.908	81%	0.806	S	S	*	*			trans	-137.9	104.4	175.5	-80.5	-82.8	0	0	0	112.8
655	G	40.3	Very low	41.3	Very low	74 Å²	74	149.5 Å²	149.5	76%	0.763	80%	0.803	S	S	*	*			trans	-77.9	153.7	177.1	0	0	0	0	0	114.7
656	R	40	Very low	41.2	Very low	236 Å²	236	149 Å²	149	89%	0.891	80%	0.803	S	S	*	*			trans	84.9	122.9	142.6	-68.3	-177.3	171.2	-172.3	-2.6	120.2
657	K	40.7	Very low	40.9	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	80%	0.802	S	S	*	*			trans	90.3	127.9	155.1	-61.9	167	179.3	177.2	0	114.7
658	K	36.1	Very low	40.7	Very low	201 Å²	201	152.7 Å²	152.7	87%	0.874	81%	0.814	S	S	*	*			cis	-166.3	133.1	10	-125.5	178.7	178.2	179.9	0	107
659	R	34.6	Very low	40.2	Very low	242 Å²	242	152.2 Å²	152.2	91%	0.913	82%	0.824	S	S	*	*			trans	-85.2	145.1	165.5	-88.9	178.7	163.7	179.5	-5.4	110.1
660	K	39.4	Very low	39.5	Very low	190 Å²	190	151.4 Å²	151.4	83%	0.826	83%	0.826	S	S	*	*			trans	-161.5	97.4	150.5	-96.8	-168.6	171.9	-173.2	0	105.6
661	D	39.3	Very low	37.9	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	83%	0.831	S	S	*	*				97.1	102.5	87	-74.6	-20.8	0	0	0	110.1
662	A	35.9	Very low	37.4	Very low	94 Å²	94	152 Å²	152	78%	0.777	83%	0.829	S	S	*	*			trans	-73.2	149.6	165.1	0	0	0	0	0	109.8
663	K	38.5	Very low	37.2	Very low	211 Å²	211	153.9 Å²	153.9	92%	0.917	83%	0.83	S	S	*	*			trans	-130.6	106.1	162.5	-134.8	-177.4	-176	-173.6	0	107.8
664	D	37.9	Very low	36.7	Very low	160 Å²	160	151.8 Å²	151.8	86%	0.856	83%	0.825	S	S	*	*			trans	-66.1	144.1	165.7	-70.8	-45.4	0	0	0	110.4
665	G	35.7	Very low	36.6	Very low	76 Å²	76	146.5 Å²	146.5	78%	0.784	81%	0.809	S	S	*	*			trans	-158	112.4	169	0	0	0	0	0	108.9
666	L	36.7	Very low	36.8	Very low	169 Å²	169	147.6 Å²	147.6	89%	0.885	80%	0.798	S	S	*	*			trans	-51	160.8	-173	-110.1	63.9	0	0	0	116.5
667	P	35.5	Very low	36.8	Very low	118 Å²	118	139.7 Å²	139.7	77%	0.766	78%	0.778	S	S	*	*			trans	-94.8	141.8	-179.1	36.7	-27.5	0	0	0	112.7
668	E	35.6	Very low	36.8	Very low	206 Å²	206	135 Å²	135	96%	0.963	76%	0.763	S	S	*	*			trans	-158.3	137.3	166.2	-108.2	178.3	-178.8	0	0	108.7
669	G	33.8	Very low	36.9	Very low	79 Å²	79	131.3 Å²	131.3	81%	0.814	75%	0.746	S	S	*	*			trans	124.5	83.4	162.6	0	0	0	0	0	115.8
670	T	32.3	Very low	37.1	Very low	144 Å²	144	125.9 Å²	125.9	88%	0.883	73%	0.732	S	S	*	*			trans	-51.5	153.1	163.3	41.3	0	0	0	0	115.1
671	A	31.4	Very low	37.3	Very low	104 Å²	104	121.8 Å²	121.8	86%	0.86	72%	0.716	S	S	*	*			trans	101.9	92.3	163.5	0	0	0	0	0	115.9
672	D	32.8	Very low	37.5	Very low	117 Å²	117	119.2 Å²	119.2	63%	0.626	70%	0.702	S	S	*	*				172.6	47.3	124.6	-153.1	10	0	0	0	113.2	G674	D672-G674 PolarHBondContact O-N 3.25Å
673	I	34.6	Very low	37.4	Very low	170 Å²	170	119.1 Å²	119.1	87%	0.872	69%	0.687	S	S	*	*			trans	-90.8	6.6	-168.5	-59.9	175.6	0	0	0	113.6
674	G	39	Very low	38.7	Very low	51 Å²	51	111.3 Å²	111.3	53%	0.526	66%	0.659	S	S	.	*	S	Bend	trans	-105.9	-16.5	-174.5	0	0	0	0	0	116.7	D672	D672-G674 PolarHBondContact O-N 3.25Å
675	V	39.4	Very low	39.9	Very low	95 Å²	95	108.3 Å²	108.3	58%	0.576	64%	0.64	S	S	*	*	S	Bend	trans	-107.5	-20.6	-170.5	-169.9	0	0	0	0	112.3	K679	V675-K679 WeakPolarHBondContact O-CB 3.46Å; V675-K679 PolarHBondContact O-N 3.24Å
676	D	44	Very low	41	Very low	98 Å²	98	109.5 Å²	109.5	52%	0.524	63%	0.626	S	S	.	*	H	α-helix	trans	-81.2	-29	-179.8	-92.5	-18.4	0	0	0	113.9	K679 E680	D676-K679 PolarHBondContact O-N 3.48Å; D676-E680 WeakPolarHBondContact O-CB 3.49Å; D676-E680 WeakPolarHBondContact O-CG 3.3Å; D676-E680 PolarHBondContact O-N 2.92Å
677	S	39.3	Very low	43	Very low	69 Å²	69	106 Å²	106	48%	0.483	61%	0.608	S	S	.	*	H	α-helix	trans	-70.4	-40.2	179.3	71.2	0	0	0	0	113	K679 E680 M681	S677-K679 VanDerWaalsContact C-N 3.3Å; S677-E680 PolarHBondContact O-N 3.33Å; S677-M681 WeakPolarHBondContact O-CB 3.38Å; S677-M681 PolarHBondContact O-N 2.97Å
678	D	41.7	Very low	45.2	Very low	95 Å²	95	102.9 Å²	102.9	51%	0.508	58%	0.583	S	S	.	*	H	α-helix	trans	-67.9	-36.7	176.2	-73.8	-9.1	0	0	0	110.4	L682	D678-L682 WeakPolarHBondContact O-CB 3.49Å; D678-L682 WeakPolarHBondContact O-CD1 3.23Å; D678-L682 WeakPolarHBondContact O-CG 3.38Å; D678-L682 PolarHBondContact O-N 3.48Å
679	K	36.6	Very low	47.5	Very low	122 Å²	122	97.7 Å²	97.7	53%	0.53	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-39.1	174.9	-154	177.8	-175.6	-179.9	0	111.5	V675 D676 S677 M683	V675-K679 WeakPolarHBondContact O-CB 3.46Å; V675-K679 PolarHBondContact O-N 3.24Å; D676-K679 PolarHBondContact O-N 3.48Å; S677-K679 VanDerWaalsContact C-N 3.3Å; K679-M683 HydrophobicContact CG-CE 4.22Å; K679-M683 WeakPolarHBondContact O-CB 2.97Å; K679-M683 WeakPolarHBondContact O-CE 3.48Å; K679-M683 WeakPolarHBondContact O-CG 3.41Å; K679-M683 PolarHBondContact O-N 3.22Å
680	E	40.1	Very low	50	Low	129 Å²	129	100 Å²	100	60%	0.603	55%	0.546	S	S	*	.	H	α-helix	trans	-67.5	-42.8	173.9	-79	-173.3	164.7	0	0	112.5	D676 S677 M683 S684	D676-E680 WeakPolarHBondContact O-CB 3.49Å; D676-E680 WeakPolarHBondContact O-CG 3.3Å; D676-E680 PolarHBondContact O-N 2.92Å; S677-E680 PolarHBondContact O-N 3.33Å; E680-M683 HydrophobicContact CG-CE 4.1Å; E680-M683 PolarHBondContact O-N 3.15Å; E680-S684 WeakPolarHBondContact O-CB 3.22Å; E680-S684 PolarHBondContact O-N 3.47Å
681	M	43.6	Very low	52.6	Low	103 Å²	103	96.3 Å²	96.3	51%	0.507	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-45.4	176	-169.8	-180	70.2	0	0	111	S677 S684 Q685	S677-M681 WeakPolarHBondContact O-CB 3.38Å; S677-M681 PolarHBondContact O-N 2.97Å; M681-S684 WeakPolarHBondContact O-CB 3.26Å; M681-S684 PolarHBondContact O-N 3.15Å; M681-S684 VanDerWaalsContact O-N 3.16Å; M681-S684 PolarHBondContact O-OG 3.39Å; M681-Q685 PolarHBondContact O-N 3.09Å
682	L	43	Very low	55.4	Low	93 Å²	93	91.4 Å²	91.4	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-41.4	173.4	-73.1	169.1	0	0	0	111.6	D678 S684 Q685 M686	D678-L682 WeakPolarHBondContact O-CB 3.49Å; D678-L682 WeakPolarHBondContact O-CD1 3.23Å; D678-L682 WeakPolarHBondContact O-CG 3.38Å; D678-L682 PolarHBondContact O-N 3.48Å; L682-S684 VanDerWaalsContact C-N 3.27Å; L682-S684 PolarHBondContact O-N 3.16Å; L682-Q685 PolarHBondContact O-N 3.42Å; L682-M686 VanDerWaalsContact O-CB 3.27Å; L682-M686 WeakPolarHBondContact O-CB 3.29Å; L682-M686 WeakPolarHBondContact O-CG 3.22Å; L682-M686 PolarHBondContact O-N 3.34Å
683	M	33.1	Very low	58.1	Low	92 Å²	92	85.9 Å²	85.9	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-61.6	-38.1	173.7	-80.2	-172.4	-67.3	0	0	111	K679 E680 N687	K679-M683 HydrophobicContact CG-CE 4.22Å; K679-M683 WeakPolarHBondContact O-CB 2.97Å; K679-M683 WeakPolarHBondContact O-CE 3.48Å; K679-M683 WeakPolarHBondContact O-CG 3.41Å; K679-M683 PolarHBondContact O-N 3.22Å; E680-M683 HydrophobicContact CG-CE 4.1Å; E680-M683 PolarHBondContact O-N 3.15Å; M683-N687 VanDerWaalsContact O-CB 3.24Å; M683-N687 WeakPolarHBondContact O-CB 3.34Å; M683-N687 PolarHBondContact O-N 3.09Å; M683-N687 PolarHBondContact O-ND2 3.24Å
684	S	67.6	Low	60.6	Low	47 Å²	47	85 Å²	85	33%	0.329	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-46.4	175.7	82.4	0	0	0	0	111.6	E680 M681 L682 N687 F688	E680-S684 WeakPolarHBondContact O-CB 3.22Å; E680-S684 PolarHBondContact O-N 3.47Å; M681-S684 WeakPolarHBondContact O-CB 3.26Å; M681-S684 PolarHBondContact O-N 3.15Å; M681-S684 VanDerWaalsContact O-N 3.16Å; M681-S684 PolarHBondContact O-OG 3.39Å; L682-S684 VanDerWaalsContact C-N 3.27Å; L682-S684 PolarHBondContact O-N 3.16Å; S684-N687 WeakPolarHBondContact O-CB 3.36Å; S684-N687 PolarHBondContact O-N 3.25Å; S684-N687 VanDerWaalsContact O-N 3.17Å; S684-F688 WeakPolarHBondContact O-CD2 3.32Å; S684-F688 PolarHBondContact O-N 2.92Å
685	Q	61.5	Low	62.9	Low	98 Å²	98	82.8 Å²	82.8	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-46.9	176.8	-73.4	-176.8	-7.5	0	0	111.6	M681 L682 N687 F688 E689	M681-Q685 PolarHBondContact O-N 3.09Å; L682-Q685 PolarHBondContact O-N 3.42Å; Q685-N687 PolarHBondContact O-N 2.83Å; Q685-F688 CarbonylContact O-C 3.55Å; Q685-F688 WeakPolarHBondContact O-CA 3.38Å; Q685-F688 WeakPolarHBondContact O-CB 3.41Å; Q685-F688 PolarHBondContact O-N 3.45Å; Q685-E689 PolarHBondContact O-N 3.41Å
686	M	60	Low	65.1	Low	101 Å²	101	81.5 Å²	81.5	50%	0.498	41%	0.414	S	S	.	.	H	α-helix	trans	-60	-33.6	174.3	-72.4	179.9	76.4	0	0	112	L682 K690	L682-M686 VanDerWaalsContact O-CB 3.27Å; L682-M686 WeakPolarHBondContact O-CB 3.29Å; L682-M686 WeakPolarHBondContact O-CG 3.22Å; L682-M686 PolarHBondContact O-N 3.34Å; M686-K690 WeakPolarHBondContact O-CB 3.46Å; M686-K690 VanDerWaalsContact O-CG 3.26Å; M686-K690 WeakPolarHBondContact O-CG 3.49Å; M686-K690 PolarHBondContact O-N 2.84Å
687	N	77.9	Confident	67	Low	94 Å²	94	79.1 Å²	79.1	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-35.4	174.2	-73.4	-25.8	0	0	0	111.7	M683 S684 Q685 R691	M683-N687 VanDerWaalsContact O-CB 3.24Å; M683-N687 WeakPolarHBondContact O-CB 3.34Å; M683-N687 PolarHBondContact O-N 3.09Å; M683-N687 PolarHBondContact O-ND2 3.24Å; S684-N687 WeakPolarHBondContact O-CB 3.36Å; S684-N687 PolarHBondContact O-N 3.25Å; S684-N687 VanDerWaalsContact O-N 3.17Å; Q685-N687 PolarHBondContact O-N 2.83Å; N687-R691 WeakPolarHBondContact O-CB 3.25Å; N687-R691 WeakPolarHBondContact O-CG 3.09Å; N687-R691 PolarHBondContact O-N 3.03Å
688	F	83.2	Confident	69.4	Low	53 Å²	53	75.8 Å²	75.8	23%	0.232	39%	0.385	C	S	.	.	H	α-helix	trans	-68.2	-44.7	173.6	-74.3	-65.9	0	0	0	112	S684 Q685 K690 R691 F692 V699 L703	S684-F688 WeakPolarHBondContact O-CD2 3.32Å; S684-F688 PolarHBondContact O-N 2.92Å; Q685-F688 CarbonylContact O-C 3.55Å; Q685-F688 WeakPolarHBondContact O-CA 3.38Å; Q685-F688 WeakPolarHBondContact O-CB 3.41Å; Q685-F688 PolarHBondContact O-N 3.45Å; F688-K690 PolarHBondContact O-N 3.33Å; F688-R691 PolarHBondContact O-N 3.31Å; F688-R691 VanDerWaalsContact O-N 3.16Å; F688-F692 AromaticContact CD1-CD2 3.88Å; F688-F692 HydrophobicContact CD1-CD2 3.88Å; F688-F692 AromaticContact CD1-CE2 3.75Å; F688-F692 HydrophobicContact CD1-CE2 3.75Å; F688-F692 HydrophobicContact CE1-CE2 4.21Å; F688-F692 WeakPolarHBondContact O-CB 3.4Å; F688-F692 PolarHBondContact O-N 3.23Å; F688-V699 HydrophobicContact CB-CG1 3.91Å; F688-V699 HydrophobicContact CG-CG1 4.48Å; F688-L703 HydrophobicContact CE1-CD2 4.29Å; F688-L703 HydrophobicContact CZ-CD2 4.22Å
689	E	82.4	Confident	71.5	Confident	98 Å²	98	72.1 Å²	72.1	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-42.5	176.6	-71.7	-178.3	174.6	0	0	111.9	Q685 R691 G693	Q685-E689 PolarHBondContact O-N 3.41Å; E689-R691 VanDerWaalsContact C-N 3.32Å; E689-R691 PolarHBondContact O-N 3.01Å; E689-G693 WeakPolarHBondContact CA-O 3.29Å; E689-G693 CarbonylContact O-C 3.59Å; E689-G693 VanDerWaalsContact O-CA 3.22Å; E689-G693 WeakPolarHBondContact O-CA 3.48Å; E689-G693 PolarHBondContact O-N 3.01Å
690	K	85.7	Confident	73.9	Confident	128 Å²	128	70 Å²	70	56%	0.557	36%	0.363	S	S	*	.	H	α-helix	trans	-64.3	-35.1	174	-75.9	177	-177.9	177	0	112.6	M686 F688 T734	M686-K690 WeakPolarHBondContact O-CB 3.46Å; M686-K690 VanDerWaalsContact O-CG 3.26Å; M686-K690 WeakPolarHBondContact O-CG 3.49Å; M686-K690 PolarHBondContact O-N 2.84Å; F688-K690 PolarHBondContact O-N 3.33Å; K690-T734 VanDerWaalsContact O-CA 3.29Å; K690-T734 WeakPolarHBondContact O-CA 3.43Å
691	R	88.7	Confident	76	Confident	66 Å²	66	64.3 Å²	64.3	25%	0.249	34%	0.337	C	S	.	.	H	α-helix	trans	-75.9	-54.9	178.1	-83.1	-173.1	73	-158.8	-4.7	112	Y632 N687 F688 E689 D735 L740	Y632-R691 PolarHBondContact O-NH2 3.14Å; N687-R691 WeakPolarHBondContact O-CB 3.25Å; N687-R691 WeakPolarHBondContact O-CG 3.09Å; N687-R691 PolarHBondContact O-N 3.03Å; F688-R691 PolarHBondContact O-N 3.31Å; F688-R691 VanDerWaalsContact O-N 3.16Å; E689-R691 VanDerWaalsContact C-N 3.32Å; E689-R691 PolarHBondContact O-N 3.01Å; R691-D735 WeakPolarHBondContact CG-OD2 3.26Å; R691-D735 PolarHBondContact O-N 3.42Å; R691-L740 HydrophobicContact CB-CD1 4.28Å; R691-L740 WeakPolarHBondContact O-CD1 3.27Å
692	F	90.4	Very high	78	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-98.8	-19.1	-165.5	-72.5	-64.5	0	0	0	114.6	Y632 Y634 F688 F698 V699 T702 Y730 W736 L740	Y632-F692 HydrophobicContact CD1-CE1 4.12Å; Y632-F692 HydrophobicContact CG-CE1 4.03Å; Y634-F692 AromaticContact CE2-CZ 3.99Å; Y634-F692 HydrophobicContact CE2-CZ 3.99Å; F688-F692 AromaticContact CD1-CD2 3.88Å; F688-F692 HydrophobicContact CD1-CD2 3.88Å; F688-F692 AromaticContact CD1-CE2 3.75Å; F688-F692 HydrophobicContact CD1-CE2 3.75Å; F688-F692 HydrophobicContact CE1-CE2 4.21Å; F688-F692 WeakPolarHBondContact O-CB 3.4Å; F688-F692 PolarHBondContact O-N 3.23Å; F692-F698 HydrophobicContact CB-CD1 4.32Å; F692-F698 HydrophobicContact CB-CE1 3.95Å; F692-F698 HydrophobicContact CD1-CE1 4.05Å; F692-F698 HydrophobicContact CG-CE1 4.36Å; F692-V699 HydrophobicContact CB-CG2 3.99Å; F692-T702 HydrophobicContact CD1-CG2 4.32Å; F692-T702 HydrophobicContact CE1-CG2 4.39Å; F692-Y730 WeakPolarHBondContact O-CE1 3.45Å; F692-Y730 PolarHBondContact O-OH 3.25Å; F692-W736 PolarHBondContact O-NE1 2.92Å; F692-L740 HydrophobicContact CD1-CD1 3.86Å; F692-L740 HydrophobicContact CE1-CD1 3.97Å
693	G	88.9	Confident	79.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	32%	0.315	C	S	.	.			trans	109.6	177.4	-176.9	0	0	0	0	0	113.3	E689 S695	E689-G693 WeakPolarHBondContact CA-O 3.29Å; E689-G693 CarbonylContact O-C 3.59Å; E689-G693 VanDerWaalsContact O-CA 3.22Å; E689-G693 WeakPolarHBondContact O-CA 3.48Å; E689-G693 PolarHBondContact O-N 3.01Å; G693-S695 VanDerWaalsContact C-N 3.34Å; G693-S695 PolarHBondContact O-N 2.89Å
694	Q	86.5	Confident	82.4	Confident	153 Å²	153	58.7 Å²	58.7	72%	0.715	31%	0.31	S	S	*	.	S	Bend	trans	-80	-10.4	-167.4	-62.9	173.9	5.6	0	0	114.3	A696	Q694-A696 PolarHBondContact O-N 3.47Å
695	S	87.5	Confident	83	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.021	32%	0.323	C	S	.	.			trans	-74.5	107.8	180	170.3	0	0	0	0	111.4	G693 A697 F698 V699 E721 Y730	G693-S695 VanDerWaalsContact C-N 3.34Å; G693-S695 PolarHBondContact O-N 2.89Å; S695-A697 VanDerWaalsContact C-N 3.26Å; S695-A697 PolarHBondContact O-N 3.45Å; S695-F698 PolarHBondContact O-N 3.06Å; S695-F698 VanDerWaalsContact OG-CB 3.29Å; S695-F698 WeakPolarHBondContact OG-CB 3.37Å; S695-F698 PolarHBondContact OG-N 3.18Å; S695-V699 VanDerWaalsContact O-CG2 3.29Å; S695-V699 WeakPolarHBondContact O-CG2 3.25Å; S695-V699 PolarHBondContact O-N 3.24Å; S695-E721 WeakPolarHBondContact CB-OE1 3.35Å; S695-E721 PolarHBondContact OG-OE1 3.01Å; S695-Y730 VanDerWaalsContact CB-OH 3.26Å; S695-Y730 WeakPolarHBondContact CB-OH 3.42Å; S695-Y730 PolarHBondContact N-OH 3.32Å
696	A	84.7	Confident	83.9	Confident	68 Å²	68	66.8 Å²	66.8	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-61.4	-35.5	174.3	0	0	0	0	0	112.5	Q694 V699 T700	Q694-A696 PolarHBondContact O-N 3.47Å; A696-V699 PolarHBondContact O-N 3.47Å; A696-T700 VanDerWaalsContact O-CB 3.32Å; A696-T700 WeakPolarHBondContact O-CB 3.38Å; A696-T700 PolarHBondContact O-N 2.9Å; A696-T700 PolarHBondContact O-OG1 2.89Å
697	A	84.9	Confident	85	Confident	48 Å²	48	62.6 Å²	62.6	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-44.9	177.6	0	0	0	0	0	111.7	S695 S701 E721	S695-A697 VanDerWaalsContact C-N 3.26Å; S695-A697 PolarHBondContact O-N 3.45Å; A697-S701 PolarHBondContact O-N 2.68Å; A697-E721 HydrophobicContact CB-CG 3.71Å
698	F	88.7	Confident	85.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-46.6	174.9	175.4	-107.6	0	0	0	111.8	R536 A539 V540 Y632 F692 S695 T700 S701 T702 V725 W736	R536-F698 HydrophobicContact CB-CD2 4.48Å; R536-F698 HydrophobicContact CB-CE2 4.26Å; R536-F698 HydrophobicContact CG-CE1 4.46Å; R536-F698 HydrophobicContact CG-CE2 4.14Å; R536-F698 HydrophobicContact CG-CZ 4.07Å; A539-F698 HydrophobicContact CB-CD2 3.67Å; A539-F698 HydrophobicContact CB-CE2 3.47Å; A539-F698 VanDerWaalsContact CB-CE2 3.47Å; V540-F698 HydrophobicContact CG2-CB 4.4Å; Y632-F698 HydrophobicContact CE1-CE2 4.2Å; Y632-F698 AromaticContact CE1-CZ 3.77Å; Y632-F698 HydrophobicContact CE1-CZ 3.77Å; F692-F698 HydrophobicContact CB-CD1 4.32Å; F692-F698 HydrophobicContact CB-CE1 3.95Å; F692-F698 HydrophobicContact CD1-CE1 4.05Å; F692-F698 HydrophobicContact CG-CE1 4.36Å; S695-F698 PolarHBondContact O-N 3.06Å; S695-F698 VanDerWaalsContact OG-CB 3.29Å; S695-F698 WeakPolarHBondContact OG-CB 3.37Å; S695-F698 PolarHBondContact OG-N 3.18Å; F698-T700 VanDerWaalsContact C-N 3.27Å; F698-T700 PolarHBondContact O-N 3.43Å; F698-S701 PolarHBondContact O-N 3.3Å; F698-S701 VanDerWaalsContact O-N 3.11Å; F698-S701 PolarHBondContact O-OG 2.94Å; F698-T702 HydrophobicContact CD1-CG2 4.27Å; F698-T702 HydrophobicContact CD2-CG2 4.37Å; F698-T702 HydrophobicContact CE1-CG2 3.75Å; F698-T702 HydrophobicContact CE2-CG2 3.86Å; F698-T702 HydrophobicContact CZ-CG2 3.48Å; F698-T702 VanDerWaalsContact CZ-CG2 3.48Å; F698-T702 VanDerWaalsContact O-CG2 3.22Å; F698-T702 WeakPolarHBondContact O-CG2 3.43Å; F698-T702 PolarHBondContact O-N 3.29Å; F698-V725 HydrophobicContact CB-CG1 4.18Å; F698-W736 AromaticContact CE1-CZ2 3.7Å; F698-W736 HydrophobicContact CE1-CZ2 3.7Å; F698-W736 HydrophobicContact CZ-CH2 4.16Å; F698-W736 AromaticContact CZ-CZ2 3.51Å; F698-W736 HydrophobicContact CZ-CZ2 3.51Å
699	V	87.3	Confident	85.3	Confident	18 Å²	18	59 Å²	59	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-57.4	-44.6	177.9	171.8	0	0	0	0	110.5	F688 F692 S695 A696 S701 T702	F688-V699 HydrophobicContact CB-CG1 3.91Å; F688-V699 HydrophobicContact CG-CG1 4.48Å; F692-V699 HydrophobicContact CB-CG2 3.99Å; S695-V699 VanDerWaalsContact O-CG2 3.29Å; S695-V699 WeakPolarHBondContact O-CG2 3.25Å; S695-V699 PolarHBondContact O-N 3.24Å; A696-V699 PolarHBondContact O-N 3.47Å; V699-S701 PolarHBondContact O-N 2.54Å; V699-T702 PolarHBondContact O-N 2.82Å; V699-T702 PolarHBondContact O-OG1 3.4Å
700	T	85.6	Confident	84.9	Confident	78 Å²	78	56.9 Å²	56.9	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-42.8	176.5	-55.7	0	0	0	0	111.6	A696 F698 T702 L703	A696-T700 VanDerWaalsContact O-CB 3.32Å; A696-T700 WeakPolarHBondContact O-CB 3.38Å; A696-T700 PolarHBondContact O-N 2.9Å; A696-T700 PolarHBondContact O-OG1 2.89Å; F698-T700 VanDerWaalsContact C-N 3.27Å; F698-T700 PolarHBondContact O-N 3.43Å; T700-T702 VanDerWaalsContact C-N 3.27Å; T700-T702 PolarHBondContact O-N 3.33Å; T700-L703 PolarHBondContact O-N 3.15Å; T700-L703 VanDerWaalsContact O-N 3.14Å
701	S	85.2	Confident	84	Confident	9 Å²	9	57.5 Å²	57.5	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-29.5	179.2	78.8	0	0	0	0	112.9	A539 N543 A697 F698 V699 L703 M704	A539-S701 VanDerWaalsContact O-CB 3.25Å; A539-S701 WeakPolarHBondContact O-CB 3.45Å; A539-S701 PolarHBondContact O-OG 3.31Å; N543-S701 PolarHBondContact ND2-O 2.92Å; N543-S701 VanDerWaalsContact ND2-O 3.11Å; A697-S701 PolarHBondContact O-N 2.68Å; F698-S701 PolarHBondContact O-N 3.3Å; F698-S701 VanDerWaalsContact O-N 3.11Å; F698-S701 PolarHBondContact O-OG 2.94Å; V699-S701 PolarHBondContact O-N 2.54Å; S701-L703 VanDerWaalsContact C-N 3.26Å; S701-L703 PolarHBondContact O-N 3.31Å; S701-M704 PolarHBondContact O-N 2.9Å
702	T	84.3	Confident	82.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-24.1	174.7	72.9	0	0	0	0	114	Q629 Y632 F692 F698 V699 T700 M704	Q629-T702 PolarHBondContact NE2-O 3.3Å; Y632-T702 HydrophobicContact CD2-CG2 4.02Å; Y632-T702 HydrophobicContact CE1-CG2 4.18Å; Y632-T702 HydrophobicContact CE2-CG2 3.63Å; Y632-T702 HydrophobicContact CG-CG2 4.46Å; F692-T702 HydrophobicContact CD1-CG2 4.32Å; F692-T702 HydrophobicContact CE1-CG2 4.39Å; F698-T702 HydrophobicContact CD1-CG2 4.27Å; F698-T702 HydrophobicContact CD2-CG2 4.37Å; F698-T702 HydrophobicContact CE1-CG2 3.75Å; F698-T702 HydrophobicContact CE2-CG2 3.86Å; F698-T702 HydrophobicContact CZ-CG2 3.48Å; F698-T702 VanDerWaalsContact CZ-CG2 3.48Å; F698-T702 VanDerWaalsContact O-CG2 3.22Å; F698-T702 WeakPolarHBondContact O-CG2 3.43Å; F698-T702 PolarHBondContact O-N 3.29Å; V699-T702 PolarHBondContact O-N 2.82Å; V699-T702 PolarHBondContact O-OG1 3.4Å; T700-T702 VanDerWaalsContact C-N 3.27Å; T700-T702 PolarHBondContact O-N 3.33Å; T702-M704 VanDerWaalsContact C-N 3.35Å
703	L	84.1	Confident	81.8	Confident	100 Å²	100	61.8 Å²	61.8	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-80.8	-16.2	179.7	-65.3	169.6	0	0	0	112.6	F688 T700 S701 E705	F688-L703 HydrophobicContact CE1-CD2 4.29Å; F688-L703 HydrophobicContact CZ-CD2 4.22Å; T700-L703 PolarHBondContact O-N 3.15Å; T700-L703 VanDerWaalsContact O-N 3.14Å; S701-L703 VanDerWaalsContact C-N 3.26Å; S701-L703 PolarHBondContact O-N 3.31Å; L703-E705 PolarHBondContact O-N 3.37Å
704	M	85.2	Confident	81.5	Confident	69 Å²	69	64.7 Å²	64.7	34%	0.34	39%	0.388	S	S	.	.			trans	-82.6	101.7	178.5	-61	178.2	69.2	0	0	110.3	S701 T702 G707 P710	S701-M704 PolarHBondContact O-N 2.9Å; T702-M704 VanDerWaalsContact C-N 3.35Å; M704-G707 PolarHBondContact O-N 3.04Å; M704-P710 HydrophobicContact SD-CG 4.42Å
705	E	80.1	Confident	81.2	Confident	132 Å²	132	61.3 Å²	61.3	62%	0.617	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-36.9	-176	-171.9	170.1	-172	0	0	113.1	L703 G707	L703-E705 PolarHBondContact O-N 3.37Å; E705-G707 PolarHBondContact O-N 2.97Å
706	E	79.9	Confident	80.8	Confident	183 Å²	183	64 Å²	64	86%	0.855	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.2	177.8	-60	-167.9	158.6	0	0	113.1
707	G	84.5	Confident	80.9	Confident	14 Å²	14	63.2 Å²	63.2	14%	0.144	40%	0.395	C	S	.	.			trans	78.9	-162.7	-178.1	0	0	0	0	0	113.7	N543 M704 E705	N543-G707 CarbonylContact O-C 3.55Å; N543-G707 WeakPolarHBondContact O-CA 3.46Å; M704-G707 PolarHBondContact O-N 3.04Å; E705-G707 PolarHBondContact O-N 2.97Å
708	G	83.8	Confident	81	Confident	26 Å²	26	62.4 Å²	62.4	27%	0.268	38%	0.384	S	S	.	.			trans	86.8	168.4	-175.9	0	0	0	0	0	114.2	N543	N543-G708 WeakPolarHBondContact CB-O 3.25Å; N543-G708 PolarHBondContact ND2-O 2.95Å; N543-G708 PolarHBondContact O-N 3.28Å
709	V	81.9	Confident	80.9	Confident	46 Å²	46	63.7 Å²	63.7	28%	0.279	39%	0.391	S	S	.	.			trans	-112.7	136.4	-179.2	-175.8	0	0	0	0	108.7	L718	V709-L718 HydrophobicContact CG1-CD1 3.84Å; V709-L718 HydrophobicContact CG1-CD2 4.03Å
710	P	75.4	Confident	80.9	Confident	52 Å²	52	69.1 Å²	69.1	34%	0.338	41%	0.413	S	S	.	.			trans	-57.4	129.7	176.7	-24.3	33.3	0	0	0	111.2	M704 S712 S713	M704-P710 HydrophobicContact SD-CG 4.42Å; P710-S712 PolarHBondContact O-N 3.11Å; P710-S713 WeakPolarHBondContact O-CB 3.35Å; P710-S713 PolarHBondContact O-N 3.39Å; P710-S713 VanDerWaalsContact O-N 3.11Å; P710-S713 PolarHBondContact O-OG 3.09Å
711	P	66.1	Low	81.2	Confident	142 Å²	142	67.7 Å²	67.7	92%	0.922	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.6	-173.4	22.3	-32.4	0	0	0	114	S713	P711-S713 PolarHBondContact O-N 3.31Å
712	S	61.3	Low	81.5	Confident	113 Å²	113	67.2 Å²	67.2	79%	0.79	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.8	176.5	55.9	0	0	0	0	114.6	P710	P710-S712 PolarHBondContact O-N 3.11Å
713	S	72.7	Confident	81.9	Confident	42 Å²	42	67.4 Å²	67.4	29%	0.294	40%	0.399	S	S	.	.			trans	-86.6	116.7	-172.6	-50.2	0	0	0	0	111.6	P710 P711	P710-S713 WeakPolarHBondContact O-CB 3.35Å; P710-S713 PolarHBondContact O-N 3.39Å; P710-S713 VanDerWaalsContact O-N 3.11Å; P710-S713 PolarHBondContact O-OG 3.09Å; P711-S713 PolarHBondContact O-N 3.31Å
714	S	80.8	Confident	82.3	Confident	63 Å²	63	63.5 Å²	63.5	44%	0.441	38%	0.378	S	S	.	.			trans	-66	137.2	175.8	75.6	0	0	0	0	111.2	A716 A717 L718	S714-A716 PolarHBondContact O-N 3.49Å; S714-A717 PolarHBondContact O-N 2.93Å; S714-A717 WeakPolarHBondContact OG-CB 3.4Å; S714-A717 PolarHBondContact OG-N 2.97Å; S714-L718 PolarHBondContact O-N 2.64Å; S714-L718 VanDerWaalsContact O-N 3.07Å
715	P	80.4	Confident	82.7	Confident	81 Å²	81	60.2 Å²	60.2	53%	0.526	36%	0.362	S	S	.	.	H	α-helix	trans	-55.4	-37.4	-179.1	-28.4	34.7	0	0	0	113.9	A3 L718 L719	A3-P715 HydrophobicContact CB-CB 4.46Å; P715-L718 PolarHBondContact O-N 3.36Å; P715-L719 WeakPolarHBondContact O-CG 3.48Å; P715-L719 PolarHBondContact O-N 3.48Å
716	A	79.9	Confident	83.4	Confident	59 Å²	59	54.1 Å²	54.1	49%	0.488	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-38	177.6	0	0	0	0	0	112.7	S714 L719 K720	S714-A716 PolarHBondContact O-N 3.49Å; A716-L719 PolarHBondContact O-N 3.28Å; A716-K720 WeakPolarHBondContact O-CB 3.47Å; A716-K720 PolarHBondContact O-N 3.24Å
717	A	86.1	Confident	84	Confident	52 Å²	52	45.6 Å²	45.6	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-41.3	174.7	0	0	0	0	0	111.2	S714 L719 K720 E721	S714-A717 PolarHBondContact O-N 2.93Å; S714-A717 WeakPolarHBondContact OG-CB 3.4Å; S714-A717 PolarHBondContact OG-N 2.97Å; A717-L719 PolarHBondContact O-N 3.29Å; A717-K720 PolarHBondContact O-N 2.92Å; A717-E721 WeakPolarHBondContact O-CB 3.48Å; A717-E721 PolarHBondContact O-N 3.42Å
718	L	87.9	Confident	84.2	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.168	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-41.9	175.6	-66.5	176.7	0	0	0	112	V540 L541 V709 S714 P715 E721 A722	V540-L718 HydrophobicContact CG1-CB 4.44Å; V540-L718 HydrophobicContact CG1-CD2 4.1Å; V540-L718 WeakPolarHBondContact CG1-O 3.49Å; L541-L718 HydrophobicContact CD2-CB 4.32Å; V709-L718 HydrophobicContact CG1-CD1 3.84Å; V709-L718 HydrophobicContact CG1-CD2 4.03Å; S714-L718 PolarHBondContact O-N 2.64Å; S714-L718 VanDerWaalsContact O-N 3.07Å; P715-L718 PolarHBondContact O-N 3.36Å; L718-E721 PolarHBondContact O-N 3.07Å; L718-A722 WeakPolarHBondContact O-CB 3.49Å; L718-A722 PolarHBondContact O-N 3.05Å
719	L	86.2	Confident	84.5	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-40.3	176.5	-74.1	170.1	0	0	0	112.4	V8 I491 V493 L541 P715 A716 A717 E721 A722 I723	V8-L719 HydrophobicContact CG2-CD1 4.3Å; I491-L719 HydrophobicContact CG2-CD2 4.11Å; V493-L719 HydrophobicContact CG2-CD2 4.37Å; L541-L719 HydrophobicContact CD2-CD2 4.18Å; P715-L719 WeakPolarHBondContact O-CG 3.48Å; P715-L719 PolarHBondContact O-N 3.48Å; A716-L719 PolarHBondContact O-N 3.28Å; A717-L719 PolarHBondContact O-N 3.29Å; L719-E721 VanDerWaalsContact C-N 3.33Å; L719-E721 PolarHBondContact O-N 3.44Å; L719-A722 WeakPolarHBondContact O-CB 3.41Å; L719-A722 PolarHBondContact O-N 2.9Å; L719-I723 WeakPolarHBondContact O-CG1 3.33Å; L719-I723 PolarHBondContact O-N 3.49Å
720	K	87.5	Confident	85	Confident	132 Å²	132	44.2 Å²	44.2	57%	0.574	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-44.4	174.5	177.5	170.2	-178.4	-174.9	0	111.4	L17 A716 A717 I723 H724	L17-K720 HydrophobicContact CD1-CB 4.49Å; L17-K720 HydrophobicContact CD1-CD 3.79Å; L17-K720 HydrophobicContact CD1-CG 3.65Å; A716-K720 WeakPolarHBondContact O-CB 3.47Å; A716-K720 PolarHBondContact O-N 3.24Å; A717-K720 PolarHBondContact O-N 2.92Å; K720-I723 PolarHBondContact O-N 2.94Å; K720-H724 PolarHBondContact O-N 3.16Å
721	E	91	Very high	85.7	Confident	47 Å²	47	43.3 Å²	43.3	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-39.4	177.6	-168.7	58.7	-146.1	0	0	112.1	V540 S695 A697 A717 L718 L719 I723 H724 V725	V540-E721 HydrophobicContact CG1-CB 4.03Å; V540-E721 HydrophobicContact CG1-CG 4.1Å; V540-E721 HydrophobicContact CG2-CG 4.43Å; S695-E721 WeakPolarHBondContact CB-OE1 3.35Å; S695-E721 PolarHBondContact OG-OE1 3.01Å; A697-E721 HydrophobicContact CB-CG 3.71Å; A717-E721 WeakPolarHBondContact O-CB 3.48Å; A717-E721 PolarHBondContact O-N 3.42Å; L718-E721 PolarHBondContact O-N 3.07Å; L719-E721 VanDerWaalsContact C-N 3.33Å; L719-E721 PolarHBondContact O-N 3.44Å; E721-I723 VanDerWaalsContact C-N 3.28Å; E721-I723 PolarHBondContact O-N 2.94Å; E721-H724 WeakPolarHBondContact O-CB 3.22Å; E721-H724 PolarHBondContact O-N 2.8Å; E721-H724 VanDerWaalsContact O-N 3.07Å; E721-H724 IonicContact OE1-CD2 3.8Å; E721-H724 PolarHBondContact OE1-CD2 3.16Å; E721-V725 PolarHBondContact O-N 3.12Å
722	A	92.5	Very high	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-38.6	174.8	0	0	0	0	0	111.7	I491 V537 V540 L541 L718 L719 V725 I726	I491-A722 HydrophobicContact CD1-CB 3.55Å; V537-A722 HydrophobicContact CG2-CB 3.78Å; V540-A722 HydrophobicContact CG1-CB 4.35Å; L541-A722 HydrophobicContact CD1-CB 4.44Å; L541-A722 HydrophobicContact CD2-CB 4.05Å; L541-A722 HydrophobicContact CG-CB 4.19Å; L718-A722 WeakPolarHBondContact O-CB 3.49Å; L718-A722 PolarHBondContact O-N 3.05Å; L719-A722 WeakPolarHBondContact O-CB 3.41Å; L719-A722 PolarHBondContact O-N 2.9Å; A722-V725 VanDerWaalsContact O-CG2 3.24Å; A722-V725 WeakPolarHBondContact O-CG2 3.4Å; A722-I726 WeakPolarHBondContact O-CG1 3.49Å; A722-I726 PolarHBondContact O-N 3.42Å
723	I	92.2	Very high	88	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-39.1	173.6	-70	172.2	0	0	0	111.7	V8 L17 I491 L719 K720 E721 I726 S727	V8-I723 HydrophobicContact CB-CD1 3.87Å; V8-I723 HydrophobicContact CG1-CD1 3.29Å; L17-I723 HydrophobicContact CD2-CB 4.17Å; L17-I723 HydrophobicContact CD2-CD1 3.55Å; L17-I723 HydrophobicContact CD2-CG1 4.45Å; L17-I723 HydrophobicContact CD2-CG2 3.88Å; I491-I723 HydrophobicContact CD1-CG1 3.95Å; I491-I723 HydrophobicContact CG1-CG1 4.28Å; L719-I723 WeakPolarHBondContact O-CG1 3.33Å; L719-I723 PolarHBondContact O-N 3.49Å; K720-I723 PolarHBondContact O-N 2.94Å; E721-I723 VanDerWaalsContact C-N 3.28Å; E721-I723 PolarHBondContact O-N 2.94Å; I723-I726 VanDerWaalsContact O-CG1 3.27Å; I723-I726 WeakPolarHBondContact O-CG1 3.33Å; I723-I726 PolarHBondContact O-N 3.29Å; I723-S727 PolarHBondContact O-N 3.33Å
724	H	92.6	Very high	88.9	Confident	19 Å²	19	44.4 Å²	44.4	9%	0.088	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-46.3	177.2	172.3	52	0	0	0	112	H12 K720 E721 I726 S727 Y730	H12-H724 AromaticContact CD2-CE1 3.9Å; H12-H724 AromaticContact CD2-CG 3.7Å; H12-H724 AromaticContact CD2-ND1 3.13Å; H12-H724 PolarHBondContact CD2-ND1 3.32Å; H12-H724 AromaticContact CE1-CE1 3.56Å; H12-H724 AromaticContact CE1-ND1 3.51Å; H12-H724 AromaticContact CG-CE1 3.9Å; H12-H724 AromaticContact CG-ND1 3.1Å; H12-H724 AromaticContact ND1-CE1 3.68Å; H12-H724 AromaticContact ND1-ND1 3.35Å; H12-H724 PolarHBondContact ND1-ND1 3.41Å; H12-H724 AromaticContact NE2-CE1 3.69Å; H12-H724 AromaticContact NE2-ND1 3.39Å; H12-H724 PolarHBondContact NE2-ND1 3.08Å; K720-H724 PolarHBondContact O-N 3.16Å; E721-H724 WeakPolarHBondContact O-CB 3.22Å; E721-H724 PolarHBondContact O-N 2.8Å; E721-H724 VanDerWaalsContact O-N 3.07Å; E721-H724 IonicContact OE1-CD2 3.8Å; E721-H724 PolarHBondContact OE1-CD2 3.16Å; H724-I726 PolarHBondContact O-N 2.91Å; H724-S727 VanDerWaalsContact O-CB 3.3Å; H724-S727 WeakPolarHBondContact O-CB 3.44Å; H724-S727 PolarHBondContact O-N 2.75Å; H724-S727 VanDerWaalsContact O-N 3.14Å; H724-S727 PolarHBondContact O-OG 3.28Å; H724-Y730 AromaticContact NE2-CD2 3.91Å; H724-Y730 AromaticContact NE2-CE2 3.68Å
725	V	93.2	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.9	-15.1	-177	-59	0	0	0	0	114.1	R536 V540 F698 E721 A722 Y730	R536-V725 HydrophobicContact CB-CB 4.08Å; R536-V725 HydrophobicContact CB-CG2 4.06Å; R536-V725 PolarHBondContact NE-O 3.44Å; R536-V725 PolarHBondContact NH2-O 3.19Å; R536-V725 VanDerWaalsContact NH2-O 3.1Å; V540-V725 HydrophobicContact CG2-CG1 4.35Å; V540-V725 HydrophobicContact CG2-CG2 4.23Å; F698-V725 HydrophobicContact CB-CG1 4.18Å; E721-V725 PolarHBondContact O-N 3.12Å; A722-V725 VanDerWaalsContact O-CG2 3.24Å; A722-V725 WeakPolarHBondContact O-CG2 3.4Å; V725-Y730 HydrophobicContact CB-CD2 4.48Å; V725-Y730 HydrophobicContact CB-CE2 4.24Å; V725-Y730 HydrophobicContact CG1-CE2 3.89Å
726	I	94.3	Very high	90.1	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	6.6	174.2	67.2	170.9	0	0	0	113.6	I491 V514 E517 A533 V537 A722 I723 H724	I491-I726 HydrophobicContact CD1-CD1 3.87Å; I491-I726 HydrophobicContact CG1-CD1 3.78Å; V514-I726 HydrophobicContact CG1-CD1 4.16Å; V514-I726 HydrophobicContact CG1-CG2 4.45Å; E517-I726 PolarHBondContact N-O 3.2Å; A533-I726 HydrophobicContact CB-CG2 4.18Å; V537-I726 HydrophobicContact CB-CG2 3.81Å; V537-I726 HydrophobicContact CG2-CG2 4.1Å; A722-I726 WeakPolarHBondContact O-CG1 3.49Å; A722-I726 PolarHBondContact O-N 3.42Å; I723-I726 VanDerWaalsContact O-CG1 3.27Å; I723-I726 WeakPolarHBondContact O-CG1 3.33Å; I723-I726 PolarHBondContact O-N 3.29Å; H724-I726 PolarHBondContact O-N 2.91Å
727	S	92.6	Very high	90.6	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	19%	0.194	C	C	.	.	S	Bend	trans	-65.9	150.2	176.8	64.7	0	0	0	0	111.9	E517 I723 H724 G729 Y730	E517-S727 WeakPolarHBondContact OE2-CA 3.2Å; E517-S727 VanDerWaalsContact OE2-CB 3.31Å; E517-S727 WeakPolarHBondContact OE2-CB 3.41Å; I723-S727 PolarHBondContact O-N 3.33Å; H724-S727 VanDerWaalsContact O-CB 3.3Å; H724-S727 WeakPolarHBondContact O-CB 3.44Å; H724-S727 PolarHBondContact O-N 2.75Å; H724-S727 VanDerWaalsContact O-N 3.14Å; H724-S727 PolarHBondContact O-OG 3.28Å; S727-G729 VanDerWaalsContact C-N 3.25Å; S727-G729 PolarHBondContact O-N 2.62Å; S727-Y730 WeakPolarHBondContact O-CB 3.41Å; S727-Y730 PolarHBondContact O-N 3.08Å
728	C	90.4	Very high	90.8	Very high	25 Å²	25	40 Å²	40	17%	0.169	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27	-172.2	64.5	0	0	0	0	113.9	E517 F522	E517-C728 HydrophobicContact CB-CB 4.41Å; E517-C728 HydrophobicContact CG-CB 4.2Å; F522-C728 HydrophobicContact CB-CB 4.46Å; F522-C728 HydrophobicContact CD1-CB 4.16Å; F522-C728 HydrophobicContact CG-CB 4.25Å
729	G	89.3	Confident	90.8	Very high	19 Å²	19	41.9 Å²	41.9	20%	0.196	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2	179.5	0	0	0	0	0	114.5	S727 E731 D732	S727-G729 VanDerWaalsContact C-N 3.25Å; S727-G729 PolarHBondContact O-N 2.62Å; G729-E731 PolarHBondContact O-N 3.44Å; G729-D732 WeakPolarHBondContact O-CB 3.47Å; G729-D732 PolarHBondContact O-N 2.93Å
730	Y	91.6	Very high	91.1	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.051	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.4	-176.6	-171.3	-88.9	0	0	0	112.6	R536 F692 S695 H724 V725 S727 D732 T734	R536-Y730 VanDerWaalsContact CD-CE1 3.47Å; F692-Y730 WeakPolarHBondContact O-CE1 3.45Å; F692-Y730 PolarHBondContact O-OH 3.25Å; S695-Y730 VanDerWaalsContact CB-OH 3.26Å; S695-Y730 WeakPolarHBondContact CB-OH 3.42Å; S695-Y730 PolarHBondContact N-OH 3.32Å; H724-Y730 AromaticContact NE2-CD2 3.91Å; H724-Y730 AromaticContact NE2-CE2 3.68Å; V725-Y730 HydrophobicContact CB-CD2 4.48Å; V725-Y730 HydrophobicContact CB-CE2 4.24Å; V725-Y730 HydrophobicContact CG1-CE2 3.89Å; S727-Y730 WeakPolarHBondContact O-CB 3.41Å; S727-Y730 PolarHBondContact O-N 3.08Å; Y730-D732 VanDerWaalsContact C-N 3.33Å; Y730-T734 WeakPolarHBondContact O-CG2 3.23Å
731	E	91.6	Very high	91.4	Very high	33 Å²	33	34.5 Å²	34.5	15%	0.154	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.9	-175.8	-60.1	176.9	-169.1	0	0	112.7	R536 G729 K733 T734 W736 Y744	R536-E731 IonicContact CZ-OE1 3.92Å; R536-E731 IonicContact NH1-OE1 2.72Å; R536-E731 PolarHBondContact NH1-OE1 3.04Å; R536-E731 IonicContact NH2-OE1 2.79Å; R536-E731 PolarHBondContact NH2-OE1 3.15Å; G729-E731 PolarHBondContact O-N 3.44Å; E731-K733 PolarHBondContact O-N 3.43Å; E731-T734 VanDerWaalsContact C-OG1 3.32Å; E731-T734 WeakPolarHBondContact CA-OG1 3.34Å; E731-T734 PolarHBondContact O-N 3.08Å; E731-T734 VanDerWaalsContact O-N 3.14Å; E731-T734 PolarHBondContact O-OG1 2.94Å; E731-W736 HydrophobicContact CB-CB 4.25Å; E731-W736 HydrophobicContact CG-CB 4.06Å; E731-W736 HydrophobicContact CG-CG 4.47Å; E731-Y744 VanDerWaalsContact CD-OH 3.29Å; E731-Y744 PolarHBondContact OE1-OH 3.38Å; E731-Y744 WeakPolarHBondContact OE2-CE2 3.45Å; E731-Y744 PolarHBondContact OE2-OH 3.35Å
732	D	88	Confident	91.6	Very high	95 Å²	95	32.3 Å²	32.3	51%	0.508	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	128.4	-176.9	-71.1	-23	0	0	0	111.3	G729 Y730 T734	G729-D732 WeakPolarHBondContact O-CB 3.47Å; G729-D732 PolarHBondContact O-N 2.93Å; Y730-D732 VanDerWaalsContact C-N 3.33Å; D732-T734 PolarHBondContact O-N 3.48Å
733	K	87.1	Confident	91.7	Very high	213 Å²	213	32.4 Å²	32.4	93%	0.926	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	20.3	-177.7	-51.1	174.1	-177.8	171.6	0	114.2	E731	E731-K733 PolarHBondContact O-N 3.43Å
734	T	92.5	Very high	91.6	Very high	12 Å²	12	33.6 Å²	33.6	7%	0.074	17%	0.17	C	C	.	.	S	Bend	trans	-103.8	172.4	171.4	73.2	0	0	0	0	111.7	K690 Y730 E731 D732 W736	K690-T734 VanDerWaalsContact O-CA 3.29Å; K690-T734 WeakPolarHBondContact O-CA 3.43Å; Y730-T734 WeakPolarHBondContact O-CG2 3.23Å; E731-T734 VanDerWaalsContact C-OG1 3.32Å; E731-T734 WeakPolarHBondContact CA-OG1 3.34Å; E731-T734 PolarHBondContact O-N 3.08Å; E731-T734 VanDerWaalsContact O-N 3.14Å; E731-T734 PolarHBondContact O-OG1 2.94Å; D732-T734 PolarHBondContact O-N 3.48Å; T734-W736 VanDerWaalsContact C-N 3.28Å; T734-W736 WeakPolarHBondContact OG1-CB 3.35Å; T734-W736 PolarHBondContact OG1-N 2.89Å
735	D	92.4	Very high	90.9	Very high	53 Å²	53	36.1 Å²	36.1	28%	0.283	20%	0.201	S	C	.	.	S	Bend	trans	-87.3	5.3	175.6	-76	-11.5	0	0	0	113.1	R691 G737 L738 E739 L740	R691-D735 WeakPolarHBondContact CG-OD2 3.26Å; R691-D735 PolarHBondContact O-N 3.42Å; D735-G737 PolarHBondContact O-N 3.45Å; D735-L738 PolarHBondContact O-N 3.04Å; D735-E739 HydrophobicContact CB-CB 4.32Å; D735-E739 PolarHBondContact O-N 3.25Å; D735-L740 HydrophobicContact CB-CD1 3.85Å; D735-L740 HydrophobicContact CB-CG 3.81Å; D735-L740 PolarHBondContact O-N 3.07Å
736	W	93.6	Very high	90.3	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.019	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-59.3	130.4	176.4	-80.6	105.8	0	0	0	111.7	N532 I535 R536 Y632 F692 F698 E731 T734 L738 L740	N532-W736 HydrophobicContact CB-CE3 4.08Å; N532-W736 HydrophobicContact CB-CZ3 4.24Å; I535-W736 HydrophobicContact CB-CH2 4.38Å; I535-W736 HydrophobicContact CD1-CZ3 4.2Å; I535-W736 HydrophobicContact CG2-CH2 3.95Å; R536-W736 HydrophobicContact CG-CH2 3.74Å; R536-W736 HydrophobicContact CG-CZ2 3.44Å; R536-W736 VanDerWaalsContact CG-CZ2 3.44Å; R536-W736 HydrophobicContact CG-CZ3 4.48Å; Y632-W736 HydrophobicContact CD1-CH2 4.32Å; Y632-W736 HydrophobicContact CE1-CH2 4.15Å; F692-W736 PolarHBondContact O-NE1 2.92Å; F698-W736 AromaticContact CE1-CZ2 3.7Å; F698-W736 HydrophobicContact CE1-CZ2 3.7Å; F698-W736 HydrophobicContact CZ-CH2 4.16Å; F698-W736 AromaticContact CZ-CZ2 3.51Å; F698-W736 HydrophobicContact CZ-CZ2 3.51Å; E731-W736 HydrophobicContact CB-CB 4.25Å; E731-W736 HydrophobicContact CG-CB 4.06Å; E731-W736 HydrophobicContact CG-CG 4.47Å; T734-W736 VanDerWaalsContact C-N 3.28Å; T734-W736 WeakPolarHBondContact OG1-CB 3.35Å; T734-W736 PolarHBondContact OG1-N 2.89Å; W736-L738 PolarHBondContact O-N 2.83Å; W736-L740 HydrophobicContact CD2-CB 4.42Å; W736-L740 HydrophobicContact CE3-CB 4.27Å
737	G	90.3	Very high	89.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-15.3	-177.5	0	0	0	0	0	115.4	D735 L740 W742 I743 Y744	D735-G737 PolarHBondContact O-N 3.45Å; G737-L740 PolarHBondContact N-O 3.15Å; G737-W742 WeakPolarHBondContact CA-O 3.5Å; G737-I743 CarbonylContact O-C 3.45Å; G737-I743 WeakPolarHBondContact O-CA 3.4Å; G737-Y744 PolarHBondContact O-N 3.16Å
738	L	90.1	Very high	89.2	Confident	104 Å²	104	38.4 Å²	38.4	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-50.5	175.5	-59.3	178.3	0	0	0	111	D735 W736	D735-L738 PolarHBondContact O-N 3.04Å; W736-L738 PolarHBondContact O-N 2.83Å
739	E	88.5	Confident	89.2	Confident	71 Å²	71	38.3 Å²	38.3	33%	0.332	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-24.3	178	-56.4	-127.7	123.6	0	0	112.7	D735 K756 R760	D735-E739 HydrophobicContact CB-CB 4.32Å; D735-E739 PolarHBondContact O-N 3.25Å; E739-K756 IonicContact OE1-NZ 2.84Å; E739-K756 PolarHBondContact OE1-NZ 3.02Å; E739-R760 PolarHBondContact O-NH1 3.2Å; E739-R760 VanDerWaalsContact O-NH1 3.1Å; E739-R760 PolarHBondContact O-NH2 3.44Å
740	L	92.6	Very high	89.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-111	149.1	-175.1	-43.8	178.4	0	0	0	111.5	Y632 R691 F692 D735 W736 G737	Y632-L740 VanDerWaalsContact O-CD2 3.26Å; Y632-L740 WeakPolarHBondContact O-CD2 3.19Å; R691-L740 HydrophobicContact CB-CD1 4.28Å; R691-L740 WeakPolarHBondContact O-CD1 3.27Å; F692-L740 HydrophobicContact CD1-CD1 3.86Å; F692-L740 HydrophobicContact CE1-CD1 3.97Å; D735-L740 HydrophobicContact CB-CD1 3.85Å; D735-L740 HydrophobicContact CB-CG 3.81Å; D735-L740 PolarHBondContact O-N 3.07Å; W736-L740 HydrophobicContact CD2-CB 4.42Å; W736-L740 HydrophobicContact CE3-CB 4.27Å; G737-L740 PolarHBondContact N-O 3.15Å
741	G	93.7	Very high	89.5	Confident	4 Å²	4	39.3 Å²	39.3	4%	0.041	21%	0.212	C	C	.	.	S	Bend	trans	68	-149.9	179.2	0	0	0	0	0	113.5	N532 L631	N532-G741 VanDerWaalsContact OD1-CA 3.32Å; N532-G741 WeakPolarHBondContact OD1-CA 3.37Å; L631-G741 PolarHBondContact O-N 3.02Å
742	W	95.1	Very high	89.6	Confident	1 Å²	1	38 Å²	38	0%	0.004	21%	0.206	C	C	.	.	S	Bend	trans	-72.1	127.2	169.5	-85.9	-107.2	0	0	0	110.1	A528 M531 N532 I535 Y619 F626 L631 G737 T753	A528-W742 HydrophobicContact CB-CB 4.13Å; M531-W742 HydrophobicContact CB-CD2 3.73Å; M531-W742 HydrophobicContact CB-CE3 3.83Å; M531-W742 HydrophobicContact CB-CG 4.07Å; M531-W742 HydrophobicContact CB-CZ3 4.29Å; M531-W742 HydrophobicContact CE-CH2 3.72Å; M531-W742 HydrophobicContact CE-CZ2 3.64Å; M531-W742 HydrophobicContact CE-CZ3 4.29Å; M531-W742 HydrophobicContact CG-CD2 4.36Å; N532-W742 PolarHBondContact ND2-O 2.98Å; N532-W742 PolarHBondContact OD1-N 3.19Å; I535-W742 HydrophobicContact CD1-CE3 3.43Å; I535-W742 VanDerWaalsContact CD1-CE3 3.43Å; I535-W742 HydrophobicContact CD1-CZ3 3.31Å; I535-W742 HydrophobicContact CG1-CE3 4.31Å; I535-W742 HydrophobicContact CG1-CZ3 3.79Å; Y619-W742 HydrophobicContact CE1-CZ2 4.43Å; Y619-W742 AromaticContact CE1-NE1 3.4Å; Y619-W742 AromaticContact CZ-NE1 3.79Å; Y619-W742 PolarHBondContact OH-NE1 2.89Å; F626-W742 HydrophobicContact CD2-CH2 4.17Å; F626-W742 HydrophobicContact CD2-CZ2 4.27Å; F626-W742 HydrophobicContact CE2-CH2 4.19Å; F626-W742 AromaticContact CE2-CZ2 3.82Å; F626-W742 HydrophobicContact CE2-CZ2 3.82Å; F626-W742 HydrophobicContact CZ-CZ2 4.08Å; L631-W742 HydrophobicContact CD1-CH2 3.77Å; L631-W742 HydrophobicContact CD1-CZ3 3.58Å; L631-W742 HydrophobicContact CD2-CE3 3.92Å; L631-W742 HydrophobicContact CD2-CH2 4.12Å; L631-W742 HydrophobicContact CD2-CZ3 3.7Å; L631-W742 HydrophobicContact CG-CZ3 4.25Å; G737-W742 WeakPolarHBondContact CA-O 3.5Å; W742-T753 WeakPolarHBondContact CA-OG1 3.4Å
743	I	93.9	Very high	89.9	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-79.5	129.9	-171.8	-53.3	-59.2	0	0	0	111.1	G737 E749 L752 T753 K756	G737-I743 CarbonylContact O-C 3.45Å; G737-I743 WeakPolarHBondContact O-CA 3.4Å; I743-E749 VanDerWaalsContact O-CB 3.32Å; I743-E749 WeakPolarHBondContact O-CB 3.45Å; I743-L752 HydrophobicContact CB-CD2 3.93Å; I743-L752 HydrophobicContact CB-CG 3.91Å; I743-L752 HydrophobicContact CG2-CD2 3.49Å; I743-L752 VanDerWaalsContact CG2-CD2 3.49Å; I743-L752 HydrophobicContact CG2-CG 3.8Å; I743-T753 PolarHBondContact N-OG1 2.96Å; I743-K756 HydrophobicContact CD1-CG 4.32Å; I743-K756 HydrophobicContact CG1-CB 4.31Å
744	Y	90.7	Very high	90.3	Very high	28 Å²	28	23.3 Å²	23.3	11%	0.11	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-81.2	158.4	179	-60	-16.5	0	0	0	112.1	H525 A528 N532 E731 G737	H525-Y744 HydrophobicContact CB-CD1 3.81Å; H525-Y744 HydrophobicContact CB-CD2 4.32Å; H525-Y744 HydrophobicContact CB-CE1 3.76Å; H525-Y744 HydrophobicContact CB-CE2 4.28Å; H525-Y744 HydrophobicContact CB-CG 4.11Å; H525-Y744 AromaticContact CD2-CD2 3.45Å; H525-Y744 VanDerWaalsContact CD2-CD2 3.45Å; H525-Y744 WeakPolarHBondContact CD2-CD2 3.44Å; H525-Y744 AromaticContact CD2-CE2 3.33Å; H525-Y744 WeakPolarHBondContact CD2-CE2 3.16Å; H525-Y744 AromaticContact CD2-CZ 3.85Å; H525-Y744 AromaticContact CE1-CD2 3.55Å; H525-Y744 AromaticContact CE1-CG 3.93Å; H525-Y744 AromaticContact CG-CD1 3.9Å; H525-Y744 AromaticContact CG-CD2 3.55Å; H525-Y744 AromaticContact CG-CE2 3.72Å; H525-Y744 AromaticContact CG-CG 3.67Å; H525-Y744 AromaticContact CG-CZ 3.97Å; H525-Y744 AromaticContact ND1-CD2 3.61Å; H525-Y744 AromaticContact ND1-CG 3.58Å; H525-Y744 AromaticContact NE2-CD2 3.48Å; H525-Y744 WeakPolarHBondContact NE2-CD2 3.24Å; H525-Y744 AromaticContact NE2-CE2 3.72Å; A528-Y744 HydrophobicContact CB-CD1 3.68Å; A528-Y744 HydrophobicContact CB-CE1 3.75Å; N532-Y744 WeakPolarHBondContact ND2-CE1 3.34Å; N532-Y744 VanDerWaalsContact ND2-CZ 3.28Å; N532-Y744 PolarHBondContact ND2-OH 3.4Å; E731-Y744 VanDerWaalsContact CD-OH 3.29Å; E731-Y744 PolarHBondContact OE1-OH 3.38Å; E731-Y744 WeakPolarHBondContact OE2-CE2 3.45Å; E731-Y744 PolarHBondContact OE2-OH 3.35Å; G737-Y744 PolarHBondContact O-N 3.16Å
745	G	77.4	Confident	90.4	Very high	72 Å²	72	22.9 Å²	22.9	74%	0.742	14%	0.135	S	C	*	.	S	Bend	trans	112.1	-10.5	167.4	0	0	0	0	0	115.7
746	S	80.6	Confident	90.4	Very high	15 Å²	15	20.6 Å²	20.6	11%	0.105	12%	0.123	C	C	.	.	S	Bend	trans	-125.9	151.5	172.4	177.8	0	0	0	0	111	T748 G795 E798	S746-T748 PolarHBondContact O-N 3.04Å; S746-T748 PolarHBondContact OG-N 3.27Å; S746-T748 VanDerWaalsContact OG-N 3.11Å; S746-T748 PolarHBondContact OG-OG1 3Å; S746-T748 VanDerWaalsContact OG-OG1 3.12Å; S746-G795 WeakPolarHBondContact OG-CA 3.32Å; S746-G795 PolarHBondContact OG-O 3.41Å; S746-E798 WeakPolarHBondContact CA-OE2 3.28Å
747	I	80.9	Confident	90.4	Very high	35 Å²	35	20.5 Å²	20.5	18%	0.179	12%	0.122	C	C	.	.	S	Bend	trans	-66.1	-22.8	169.1	-63.8	167.4	0	0	0	112	R791 L794 E798 F925	I747-R791 HydrophobicContact CG2-CB 4.46Å; I747-L794 HydrophobicContact CD1-CD2 3.52Å; I747-L794 HydrophobicContact CD1-CG 4.01Å; I747-E798 PolarHBondContact N-OE2 3.36Å; I747-F925 HydrophobicContact CG2-CD2 4.5Å; I747-F925 HydrophobicContact CG2-CE2 4.44Å
748	T	83.6	Confident	90.6	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.037	12%	0.122	C	C	.	.			trans	-107.5	64.8	175.1	51.4	0	0	0	0	109.2	S746 D750 G795 I799	S746-T748 PolarHBondContact O-N 3.04Å; S746-T748 PolarHBondContact OG-N 3.27Å; S746-T748 VanDerWaalsContact OG-N 3.11Å; S746-T748 PolarHBondContact OG-OG1 3Å; S746-T748 VanDerWaalsContact OG-OG1 3.12Å; T748-D750 VanDerWaalsContact C-OD1 3.24Å; T748-D750 WeakPolarHBondContact CA-OD1 3.2Å; T748-D750 WeakPolarHBondContact CB-OD1 3.49Å; T748-D750 PolarHBondContact O-N 2.92Å; T748-G795 VanDerWaalsContact OG1-CA 3.29Å; T748-G795 WeakPolarHBondContact OG1-CA 3.47Å; T748-G795 PolarHBondContact OG1-O 3.35Å; T748-I799 WeakPolarHBondContact OG1-CD1 3.33Å
749	E	89.6	Confident	90.8	Very high	24 Å²	24	16.1 Å²	16.1	11%	0.112	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-21.7	178.9	73	-83.9	-169.9	0	0	112.8	A528 I743 T753	A528-E749 HydrophobicContact CB-CB 4.16Å; A528-E749 HydrophobicContact CB-CG 3.85Å; I743-E749 VanDerWaalsContact O-CB 3.32Å; I743-E749 WeakPolarHBondContact O-CB 3.45Å; E749-T753 VanDerWaalsContact O-CB 3.24Å; E749-T753 WeakPolarHBondContact O-CB 3.38Å; E749-T753 PolarHBondContact O-N 3.4Å; E749-T753 PolarHBondContact O-OG1 3.25Å
750	D	93.6	Very high	90.9	Very high	26 Å²	26	14 Å²	14	14%	0.139	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-58.9	-178.4	54.1	-9.1	0	0	0	112.2	Y619 T748 L752 T753 G754	Y619-D750 VanDerWaalsContact CD1-CA 3.47Å; Y619-D750 HydrophobicContact CD1-CB 3.67Å; Y619-D750 WeakPolarHBondContact CD1-O 3.25Å; Y619-D750 VanDerWaalsContact CE1-CA 3.48Å; Y619-D750 HydrophobicContact CE1-CB 3.5Å; Y619-D750 HydrophobicContact CG-CB 4.36Å; T748-D750 VanDerWaalsContact C-OD1 3.24Å; T748-D750 WeakPolarHBondContact CA-OD1 3.2Å; T748-D750 WeakPolarHBondContact CB-OD1 3.49Å; T748-D750 PolarHBondContact O-N 2.92Å; D750-L752 PolarHBondContact O-N 3.29Å; D750-T753 PolarHBondContact O-N 2.67Å; D750-G754 PolarHBondContact O-N 3.2Å
751	I	93.4	Very high	90.9	Very high	27 Å²	27	15.2 Å²	15.2	14%	0.138	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-40.1	179	-62.8	171.2	0	0	0	110	G754 F755 Y824 T827	I751-G754 PolarHBondContact O-N 3.02Å; I751-F755 VanDerWaalsContact O-CB 3.29Å; I751-F755 WeakPolarHBondContact O-CB 3.25Å; I751-F755 PolarHBondContact O-N 2.85Å; I751-Y824 HydrophobicContact CG2-CD1 4.46Å; I751-Y824 HydrophobicContact CG2-CE1 4.39Å; I751-T827 HydrophobicContact CD1-CG2 3.78Å; I751-T827 HydrophobicContact CG2-CG2 4.04Å
752	L	93	Very high	91	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-43.2	179.5	-179.5	57.6	0	0	0	112.4	I743 D750 F755 K756 I799 H804	I743-L752 HydrophobicContact CB-CD2 3.93Å; I743-L752 HydrophobicContact CB-CG 3.91Å; I743-L752 HydrophobicContact CG2-CD2 3.49Å; I743-L752 VanDerWaalsContact CG2-CD2 3.49Å; I743-L752 HydrophobicContact CG2-CG 3.8Å; D750-L752 PolarHBondContact O-N 3.29Å; L752-F755 PolarHBondContact O-N 2.92Å; L752-K756 PolarHBondContact O-N 3.02Å; L752-I799 HydrophobicContact CB-CD1 4.05Å; L752-I799 HydrophobicContact CB-CG1 4.4Å; L752-H804 HydrophobicContact CD1-CB 3.41Å; L752-H804 VanDerWaalsContact CD1-CB 3.41Å
753	T	94.9	Very high	91	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-47.7	177.7	-58.7	0	0	0	0	110.5	L631 W742 I743 E749 D750 F755 K756 M757	L631-T753 HydrophobicContact CD2-CG2 4.24Å; W742-T753 WeakPolarHBondContact CA-OG1 3.4Å; I743-T753 PolarHBondContact N-OG1 2.96Å; E749-T753 VanDerWaalsContact O-CB 3.24Å; E749-T753 WeakPolarHBondContact O-CB 3.38Å; E749-T753 PolarHBondContact O-N 3.4Å; E749-T753 PolarHBondContact O-OG1 3.25Å; D750-T753 PolarHBondContact O-N 2.67Å; T753-F755 PolarHBondContact O-N 2.94Å; T753-K756 PolarHBondContact O-N 3.48Å; T753-M757 HydrophobicContact CG2-SD 4.25Å; T753-M757 VanDerWaalsContact O-CG 3.31Å; T753-M757 WeakPolarHBondContact O-CG 3.26Å; T753-M757 PolarHBondContact O-N 3.42Å; T753-M757 VanDerWaalsContact O-N 3.09Å
754	G	94.8	Very high	91.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-44.8	175.5	0	0	0	0	0	112.6	D750 I751 K756 M757 H758	D750-G754 PolarHBondContact O-N 3.2Å; I751-G754 PolarHBondContact O-N 3.02Å; G754-K756 PolarHBondContact O-N 3Å; G754-M757 PolarHBondContact O-N 3.09Å; G754-H758 PolarHBondContact O-N 3.04Å
755	F	94.8	Very high	91.5	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-47.2	176.7	173.8	-119.5	0	0	0	112.5	I751 L752 T753 M757 H758 C759 H804 P806 Y809 L816 Y824	I751-F755 VanDerWaalsContact O-CB 3.29Å; I751-F755 WeakPolarHBondContact O-CB 3.25Å; I751-F755 PolarHBondContact O-N 2.85Å; L752-F755 PolarHBondContact O-N 2.92Å; T753-F755 PolarHBondContact O-N 2.94Å; F755-M757 VanDerWaalsContact C-N 3.31Å; F755-M757 PolarHBondContact O-N 3.37Å; F755-H758 PolarHBondContact O-N 3.34Å; F755-C759 WeakPolarHBondContact CE2-SG 3.43Å; F755-C759 VanDerWaalsContact CZ-SG 3.52Å; F755-C759 PolarHBondContact O-N 3.48Å; F755-C759 PolarHBondContact O-SG 2.93Å; F755-H804 VanDerWaalsContact CE1-O 3.25Å; F755-H804 WeakPolarHBondContact CE1-O 3.48Å; F755-P806 HydrophobicContact CE1-CG 4.27Å; F755-P806 HydrophobicContact CE2-CB 4.12Å; F755-P806 HydrophobicContact CE2-CG 4.23Å; F755-P806 HydrophobicContact CZ-CB 3.97Å; F755-P806 HydrophobicContact CZ-CG 4.03Å; F755-Y809 AromaticContact CE1-CD1 3.55Å; F755-Y809 HydrophobicContact CE1-CD1 3.55Å; F755-Y809 HydrophobicContact CE1-CE1 4.31Å; F755-Y809 HydrophobicContact CE1-CG 4.37Å; F755-Y809 AromaticContact CZ-CD1 3.9Å; F755-Y809 HydrophobicContact CZ-CD1 3.9Å; F755-L816 HydrophobicContact CD2-CD2 4.44Å; F755-L816 HydrophobicContact CE2-CD2 3.74Å; F755-Y824 HydrophobicContact CB-CD1 3.97Å; F755-Y824 HydrophobicContact CB-CE1 3.62Å; F755-Y824 AromaticContact CD2-CD1 3.83Å; F755-Y824 HydrophobicContact CD2-CD1 3.83Å; F755-Y824 AromaticContact CD2-CD2 3.56Å; F755-Y824 HydrophobicContact CD2-CD2 3.56Å; F755-Y824 HydrophobicContact CD2-CE1 4.08Å; F755-Y824 AromaticContact CD2-CE2 3.81Å; F755-Y824 HydrophobicContact CD2-CE2 3.81Å; F755-Y824 AromaticContact CD2-CG 3.57Å; F755-Y824 HydrophobicContact CD2-CG 3.57Å; F755-Y824 HydrophobicContact CE2-CD2 4.11Å; F755-Y824 HydrophobicContact CE2-CG 4.16Å; F755-Y824 HydrophobicContact CG-CD1 4.21Å; F755-Y824 HydrophobicContact CG-CE1 4.29Å; F755-Y824 HydrophobicContact CG-CG 4.38Å; F755-Y824 PolarHBondContact N-OH 3.02Å
756	K	93.5	Very high	92.4	Very high	5 Å²	5	13.3 Å²	13.3	2%	0.022	7%	0.07	C	C	.	.	H	α-helix	trans	-60.3	-41.9	177.8	-177.1	81.3	179.1	-159.5	0	111.1	E739 I743 L752 T753 G754 C759 R760 Y809	E739-K756 IonicContact OE1-NZ 2.84Å; E739-K756 PolarHBondContact OE1-NZ 3.02Å; I743-K756 HydrophobicContact CD1-CG 4.32Å; I743-K756 HydrophobicContact CG1-CB 4.31Å; L752-K756 PolarHBondContact O-N 3.02Å; T753-K756 PolarHBondContact O-N 3.48Å; G754-K756 PolarHBondContact O-N 3Å; K756-C759 PolarHBondContact O-N 3.29Å; K756-R760 PolarHBondContact O-N 3.38Å; K756-Y809 HydrophobicContact CD-CE1 4.2Å; K756-Y809 VanDerWaalsContact CD-OH 3.29Å; K756-Y809 WeakPolarHBondContact CD-OH 3.25Å; K756-Y809 VanDerWaalsContact CE-OH 3.28Å; K756-Y809 WeakPolarHBondContact CE-OH 3.46Å; K756-Y809 PolarHBondContact NZ-OH 3.31Å
757	M	93.5	Very high	93.1	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-64.9	-44.4	177	-64.1	172.9	86.1	0	0	111.9	C579 Y580 F626 A630 L631 T753 G754 F755 C759 R760 G761 W762	C579-M757 HydrophobicContact CB-CE 3.63Å; Y580-M757 HydrophobicContact CD1-CE 4.39Å; Y580-M757 HydrophobicContact CD1-SD 4.23Å; Y580-M757 HydrophobicContact CE1-SD 4.37Å; F626-M757 HydrophobicContact CD1-CE 4.22Å; F626-M757 HydrophobicContact CD1-SD 4.33Å; F626-M757 HydrophobicContact CE1-SD 4.21Å; A630-M757 HydrophobicContact CB-CE 3.33Å; L631-M757 HydrophobicContact CD2-CE 4.45Å; L631-M757 HydrophobicContact CD2-SD 4.31Å; L631-M757 HydrophobicContact CG-CE 4.36Å; T753-M757 HydrophobicContact CG2-SD 4.25Å; T753-M757 VanDerWaalsContact O-CG 3.31Å; T753-M757 WeakPolarHBondContact O-CG 3.26Å; T753-M757 PolarHBondContact O-N 3.42Å; T753-M757 VanDerWaalsContact O-N 3.09Å; G754-M757 PolarHBondContact O-N 3.09Å; F755-M757 VanDerWaalsContact C-N 3.31Å; F755-M757 PolarHBondContact O-N 3.37Å; M757-C759 VanDerWaalsContact C-N 3.34Å; M757-C759 PolarHBondContact O-N 3.33Å; M757-R760 WeakPolarHBondContact O-CB 3.44Å; M757-R760 PolarHBondContact O-N 3.17Å; M757-R760 VanDerWaalsContact O-N 3.09Å; M757-G761 PolarHBondContact O-N 3.27Å; M757-W762 WeakPolarHBondContact O-CB 3.31Å; M757-W762 PolarHBondContact O-N 3.11Å
758	H	95.1	Very high	93.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.9	-37.2	175.5	-75.1	-171.7	0	0	0	112.3	Y580 Q615 G754 F755 R760 G761 S764 L816 E820 Y824	Y580-H758 AromaticContact CZ-NE2 3.88Å; Y580-H758 PolarHBondContact OH-NE2 2.85Å; Q615-H758 PolarHBondContact NE2-O 3.22Å; G754-H758 PolarHBondContact O-N 3.04Å; F755-H758 PolarHBondContact O-N 3.34Å; H758-R760 PolarHBondContact O-N 3.31Å; H758-G761 WeakPolarHBondContact O-CA 3.36Å; H758-G761 PolarHBondContact O-N 3.04Å; H758-S764 PolarHBondContact CE1-OG 3.45Å; H758-S764 VanDerWaalsContact CE1-OG 3.24Å; H758-S764 WeakPolarHBondContact NE2-CB 3.19Å; H758-S764 PolarHBondContact NE2-OG 2.86Å; H758-L816 HydrophobicContact CB-CD1 3.77Å; H758-E820 IonicContact CE1-OE1 3.32Å; H758-E820 IonicContact ND1-OE1 3.87Å; H758-E820 PolarHBondContact ND1-OE1 3.48Å; H758-E820 VanDerWaalsContact ND1-OE1 3.11Å; H758-Y824 HydrophobicContact CB-CE2 4.25Å; H758-Y824 AromaticContact ND1-CE2 3.81Å; H758-Y824 AromaticContact ND1-CZ 3.79Å; H758-Y824 PolarHBondContact ND1-OH 3.3Å
759	C	93.4	Very high	94.1	Very high	11 Å²	11	14.2 Å²	14.2	7%	0.074	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-27.4	172.5	-77.7	0	0	0	0	113.7	F755 K756 M757 G761 Y809	F755-C759 WeakPolarHBondContact CE2-SG 3.43Å; F755-C759 VanDerWaalsContact CZ-SG 3.52Å; F755-C759 PolarHBondContact O-N 3.48Å; F755-C759 PolarHBondContact O-SG 2.93Å; K756-C759 PolarHBondContact O-N 3.29Å; M757-C759 VanDerWaalsContact C-N 3.34Å; M757-C759 PolarHBondContact O-N 3.33Å; C759-G761 PolarHBondContact O-N 3.04Å; C759-Y809 HydrophobicContact CB-CE1 4.26Å
760	R	91.3	Very high	94.1	Very high	27 Å²	27	24.1 Å²	24.1	10%	0.102	12%	0.117	C	C	.	.	H	α-helix	trans	-74.4	-13.3	172.7	-71	174.7	172.2	136.2	1.2	112.8	E739 K756 M757 H758 N815	E739-R760 PolarHBondContact O-NH1 3.2Å; E739-R760 VanDerWaalsContact O-NH1 3.1Å; E739-R760 PolarHBondContact O-NH2 3.44Å; K756-R760 PolarHBondContact O-N 3.38Å; M757-R760 WeakPolarHBondContact O-CB 3.44Å; M757-R760 PolarHBondContact O-N 3.17Å; M757-R760 VanDerWaalsContact O-N 3.09Å; H758-R760 PolarHBondContact O-N 3.31Å; R760-N815 PolarHBondContact O-ND2 3.46Å; R760-N815 VanDerWaalsContact O-ND2 3.08Å
761	G	92.6	Very high	94	Very high	25 Å²	25	27 Å²	27	26%	0.258	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	6.4	179.3	0	0	0	0	0	114.4	M757 H758 C759	M757-G761 PolarHBondContact O-N 3.27Å; H758-G761 WeakPolarHBondContact O-CA 3.36Å; H758-G761 PolarHBondContact O-N 3.04Å; C759-G761 PolarHBondContact O-N 3.04Å
762	W	94.9	Very high	94	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.027	13%	0.128	C	C	.	.			trans	-65.3	154.8	169.9	-70.1	103.4	0	0	0	111.4	C579 Q615 A630 Y634 P636 M757	C579-W762 HydrophobicContact CB-CB 3.57Å; C579-W762 HydrophobicContact CB-CD2 3.84Å; C579-W762 HydrophobicContact CB-CE3 3.81Å; C579-W762 HydrophobicContact CB-CG 3.76Å; C579-W762 VanDerWaalsContact SG-CB 3.58Å; Q615-W762 PolarHBondContact NE2-O 3.48Å; A630-W762 HydrophobicContact CB-CD2 3.93Å; A630-W762 HydrophobicContact CB-CE3 4.34Å; A630-W762 HydrophobicContact CB-CG 4.42Å; A630-W762 HydrophobicContact CB-CH2 4.24Å; A630-W762 HydrophobicContact CB-CZ2 3.79Å; A630-W762 HydrophobicContact CB-CZ3 4.49Å; Y634-W762 PolarHBondContact O-NE1 3.03Å; P636-W762 HydrophobicContact CB-CD2 3.93Å; P636-W762 HydrophobicContact CB-CE3 3.89Å; P636-W762 HydrophobicContact CB-CH2 4.26Å; P636-W762 HydrophobicContact CB-CZ2 4.31Å; P636-W762 HydrophobicContact CB-CZ3 4.06Å; P636-W762 HydrophobicContact CG-CD2 4.43Å; M757-W762 WeakPolarHBondContact O-CB 3.31Å; M757-W762 PolarHBondContact O-N 3.11Å
763	R	95.5	Very high	94	Very high	53 Å²	53	26.5 Å²	26.5	20%	0.2	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.6	175.5	-167.3	-165	175.6	133.3	11.1	109.1	K577 V578 C579 D612 Q615	K577-R763 PolarHBondContact O-N 3.3Å; V578-R763 CarbonylContact C-O 3.51Å; V578-R763 WeakPolarHBondContact CA-O 3.16Å; C579-R763 PolarHBondContact N-O 2.97Å; C579-R763 PolarHBondContact SG-O 3.36Å; D612-R763 PolarHBondContact O-NH2 3.3Å; D612-R763 VanDerWaalsContact O-NH2 3.17Å; Q615-R763 WeakPolarHBondContact O-CG 3.45Å
764	S	97.3	Very high	94	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	168.1	166.7	62.7	0	0	0	0	111.8	Y580 Q615 G616 P617 H758	Y580-S764 VanDerWaalsContact CD2-CB 3.49Å; Y580-S764 WeakPolarHBondContact O-CA 3.43Å; Q615-S764 PolarHBondContact O-N 3.06Å; Q615-S764 VanDerWaalsContact O-N 3.16Å; G616-S764 VanDerWaalsContact CA-O 3.32Å; G616-S764 WeakPolarHBondContact CA-O 3.29Å; G616-S764 WeakPolarHBondContact CA-OG 3.44Å; P617-S764 WeakPolarHBondContact CD-OG 3.41Å; P617-S764 VanDerWaalsContact N-OG 3.1Å; P617-S764 PolarHBondContact O-OG 3.47Å; H758-S764 PolarHBondContact CE1-OG 3.45Å; H758-S764 VanDerWaalsContact CE1-OG 3.24Å; H758-S764 WeakPolarHBondContact NE2-CB 3.19Å; H758-S764 PolarHBondContact NE2-OG 2.86Å
765	V	96.8	Very high	93.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	179.5	173	0	0	0	0	109.4	F568 V578 Y580 V581 Q582	F568-V765 HydrophobicContact CD1-CG1 3.83Å; F568-V765 HydrophobicContact CD2-CG1 4.14Å; F568-V765 HydrophobicContact CE1-CG1 3.96Å; F568-V765 HydrophobicContact CE2-CG1 4.27Å; F568-V765 HydrophobicContact CG-CG1 3.9Å; F568-V765 HydrophobicContact CZ-CG1 4.18Å; V578-V765 HydrophobicContact CG1-CB 4.47Å; V578-V765 HydrophobicContact CG1-CG2 3.89Å; V578-V765 HydrophobicContact CG2-CG2 3.78Å; Y580-V765 PolarHBondContact O-N 3.22Å; V581-V765 CarbonylContact C-O 3.41Å; V581-V765 WeakPolarHBondContact CA-O 3.45Å; V581-V765 HydrophobicContact CG2-CB 4.36Å; Q582-V765 PolarHBondContact N-O 3.01Å
766	Y	96.8	Very high	93.6	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.027	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.6	170.8	-162.9	-128.7	0	0	0	110.5	Q582 P584 F604 M608 K609 D612 P617 M768	Q582-Y766 HydrophobicContact CB-CD2 4.28Å; Q582-Y766 HydrophobicContact CG-CD2 4.26Å; Q582-Y766 HydrophobicContact CG-CE2 4.33Å; Q582-Y766 WeakPolarHBondContact O-CA 3.4Å; Q582-Y766 VanDerWaalsContact O-CD2 3.28Å; Q582-Y766 WeakPolarHBondContact O-CD2 2.8Å; P584-Y766 WeakPolarHBondContact CB-OH 3.38Å; F604-Y766 WeakPolarHBondContact CB-OH 3.47Å; F604-Y766 VanDerWaalsContact O-CE1 3.22Å; F604-Y766 WeakPolarHBondContact O-CE1 3.45Å; F604-Y766 PolarHBondContact O-OH 2.88Å; M608-Y766 HydrophobicContact CB-CD1 3.86Å; M608-Y766 HydrophobicContact CB-CD2 4.13Å; M608-Y766 HydrophobicContact CB-CE1 3.57Å; M608-Y766 HydrophobicContact CB-CE2 3.89Å; M608-Y766 HydrophobicContact CB-CG 4.13Å; M608-Y766 HydrophobicContact CG-CE2 4.16Å; K609-Y766 HydrophobicContact CG-CD1 4.34Å; K609-Y766 HydrophobicContact CG-CE1 4.32Å; D612-Y766 PolarHBondContact OD1-N 2.86Å; P617-Y766 HydrophobicContact CB-CD2 4Å; P617-Y766 HydrophobicContact CB-CG 4.37Å; P617-Y766 HydrophobicContact CG-CD2 3.99Å; P617-Y766 HydrophobicContact CG-CG 4.28Å; Y766-M768 HydrophobicContact CD1-CG 3.99Å; Y766-M768 HydrophobicContact CD1-SD 4.07Å; Y766-M768 HydrophobicContact CE1-CG 3.55Å; Y766-M768 HydrophobicContact CE1-SD 3.42Å; Y766-M768 WeakPolarHBondContact CE1-SD 3.45Å
767	C	95	Very high	93	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	14%	0.143	C	C	.	.			trans	-116.1	125.8	179.4	-177.1	0	0	0	0	110.3	F568 V581 Q582 F583 P584	F568-C767 HydrophobicContact CE2-CB 3.8Å; F568-C767 HydrophobicContact CZ-CB 4.43Å; V581-C767 HydrophobicContact CG1-CB 3.77Å; Q582-C767 PolarHBondContact O-N 3.08Å; F583-C767 HydrophobicContact CD1-CB 4.02Å; F583-C767 WeakPolarHBondContact CD1-O 3.43Å; F583-C767 HydrophobicContact CE1-CB 3.7Å; F583-C767 VanDerWaalsContact CE1-SG 3.54Å; F583-C767 HydrophobicContact CZ-CB 4.05Å; P584-C767 WeakPolarHBondContact CD-O 3.46Å
768	M	93.6	Very high	92.3	Very high	54 Å²	54	30.2 Å²	30.2	27%	0.266	15%	0.147	S	C	.	.			trans	-123.4	89.8	177.3	-67.6	-177.4	69.8	0	0	109.7	P584 D605 K609 Y766	P584-M768 HydrophobicContact CG-CG 4.12Å; D605-M768 WeakPolarHBondContact OD1-CE 3.45Å; K609-M768 HydrophobicContact CD-SD 4.32Å; K609-M768 WeakPolarHBondContact CE-SD 3.34Å; K609-M768 HydrophobicContact CG-SD 4.22Å; Y766-M768 HydrophobicContact CD1-CG 3.99Å; Y766-M768 HydrophobicContact CD1-SD 4.07Å; Y766-M768 HydrophobicContact CE1-CG 3.55Å; Y766-M768 HydrophobicContact CE1-SD 3.42Å; Y766-M768 WeakPolarHBondContact CE1-SD 3.45Å
769	P	92.1	Very high	91.1	Very high	19 Å²	19	30.6 Å²	30.6	12%	0.123	15%	0.149	C	C	.	.			trans	-66.8	160.4	175.1	-13.6	26.8	0	0	0	111.4	E564 F583 R771 A773	E564-P769 WeakPolarHBondContact OE1-CB 3.45Å; E564-P769 WeakPolarHBondContact OE2-CB 3.03Å; E564-P769 WeakPolarHBondContact OE2-CG 3.24Å; F583-P769 HydrophobicContact CD1-CG 4Å; F583-P769 HydrophobicContact CE1-CG 3.76Å; P769-R771 VanDerWaalsContact C-N 3.32Å; P769-R771 WeakPolarHBondContact CB-O 3.43Å; P769-R771 PolarHBondContact O-N 3.4Å; P769-A773 HydrophobicContact CG-CB 4.2Å
770	K	90	Very high	90	Very high	231 Å²	231	32.2 Å²	32.2	100%	1.004	16%	0.157	S	C	*	.	S	Bend	trans	-57.9	-43.4	177	-67.6	-177.1	-179.3	178	0	112.4
771	R	90.9	Very high	89.2	Confident	87 Å²	87	31.6 Å²	31.6	33%	0.328	16%	0.156	S	C	.	.	S	Bend	trans	-95.3	124.1	169.4	-176.3	-179.6	-172.3	128.3	8.6	108	E415 N557 N558 P769 A773	E415-R771 VanDerWaalsContact C-NH2 3.29Å; E415-R771 PolarHBondContact O-NH2 3.28Å; E415-R771 WeakPolarHBondContact OE2-CD 3.48Å; E415-R771 IonicContact OE2-CZ 3.47Å; E415-R771 IonicContact OE2-NE 2.8Å; E415-R771 PolarHBondContact OE2-NE 3.48Å; E415-R771 IonicContact OE2-NH1 3.58Å; E415-R771 PolarHBondContact OE2-NH1 3.42Å; N557-R771 PolarHBondContact O-NE 3.47Å; N557-R771 VanDerWaalsContact O-NE 3.11Å; N557-R771 PolarHBondContact OD1-NE 2.84Å; N557-R771 VanDerWaalsContact OD1-NE 3.1Å; N557-R771 PolarHBondContact OD1-NH2 3.18Å; N558-R771 HydrophobicContact CB-CB 4.3Å; N558-R771 HydrophobicContact CB-CG 4.19Å; P769-R771 VanDerWaalsContact C-N 3.32Å; P769-R771 WeakPolarHBondContact CB-O 3.43Å; P769-R771 PolarHBondContact O-N 3.4Å; R771-A773 PolarHBondContact O-N 3.45Å; R771-A773 VanDerWaalsContact O-N 3.16Å
772	A	93.6	Very high	88.4	Confident	21 Å²	21	30.8 Å²	30.8	17%	0.174	15%	0.145	C	C	.	.			trans	-48.4	124.9	177.8	0	0	0	0	0	111	N557 R586	N557-A772 WeakPolarHBondContact CB-O 3.38Å; N557-A772 PolarHBondContact ND2-O 3.42Å; R586-A772 HydrophobicContact CB-CB 4.12Å; R586-A772 HydrophobicContact CG-CB 3.73Å
773	A	93.9	Very high	87.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-62.9	-48.4	-174.8	0	0	0	0	0	112.3	N557 N558 A561 F583 P769 R771	N557-A773 PolarHBondContact N-O 3.3Å; N558-A773 PolarHBondContact N-O 2.66Å; A561-A773 HydrophobicContact CB-CB 3.78Å; F583-A773 HydrophobicContact CB-CB 4.26Å; F583-A773 HydrophobicContact CD1-CB 3.44Å; F583-A773 VanDerWaalsContact CD1-CB 3.44Å; F583-A773 HydrophobicContact CE1-CB 3.92Å; F583-A773 HydrophobicContact CG-CB 3.97Å; P769-A773 HydrophobicContact CG-CB 4.2Å; R771-A773 PolarHBondContact O-N 3.45Å; R771-A773 VanDerWaalsContact O-N 3.16Å
774	F	94.8	Very high	86.9	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.013	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.3	-177.9	-53.2	-77.8	0	0	0	109.7	L548 L550 Y555 I556 A561 F583	L548-F774 HydrophobicContact CD1-CE1 4.4Å; L548-F774 HydrophobicContact CD1-CZ 3.99Å; L548-F774 HydrophobicContact CD2-CE1 4.27Å; L548-F774 HydrophobicContact CD2-CZ 4.27Å; L548-F774 HydrophobicContact CG-CZ 4.45Å; L550-F774 HydrophobicContact CD1-CD1 4.3Å; L550-F774 HydrophobicContact CD1-CE1 4.1Å; L550-F774 HydrophobicContact CD2-CD1 3.44Å; L550-F774 VanDerWaalsContact CD2-CD1 3.44Å; L550-F774 HydrophobicContact CD2-CE1 3.65Å; L550-F774 HydrophobicContact CD2-CG 4.06Å; L550-F774 HydrophobicContact CD2-CZ 4.43Å; L550-F774 HydrophobicContact CG-CD1 4.49Å; L550-F774 HydrophobicContact CG-CE1 4.38Å; Y555-F774 WeakPolarHBondContact O-CA 3.32Å; I556-F774 HydrophobicContact CD1-CE1 4.25Å; I556-F774 HydrophobicContact CG1-CD1 4.08Å; I556-F774 HydrophobicContact CG1-CE1 3.82Å; A561-F774 HydrophobicContact CB-CZ 4.24Å; F583-F774 HydrophobicContact CB-CD2 3.72Å; F583-F774 HydrophobicContact CB-CE2 3.78Å; F583-F774 HydrophobicContact CD1-CE2 4.43Å; F583-F774 HydrophobicContact CD2-CD2 4.44Å; F583-F774 AromaticContact CD2-CE2 3.62Å; F583-F774 HydrophobicContact CD2-CE2 3.62Å; F583-F774 HydrophobicContact CE2-CE2 4.27Å; F583-F774 HydrophobicContact CG-CD2 4.12Å; F583-F774 AromaticContact CG-CE2 3.69Å; F583-F774 HydrophobicContact CG-CE2 3.69Å
775	K	93.3	Very high	86.2	Confident	55 Å²	55	29.5 Å²	29.5	24%	0.239	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.1	172.6	-80	-177.8	158.8	-152.3	0	109.2	H554 Y555 N557 R586 D588	H554-K775 CarbonylContact C-O 3.51Å; H554-K775 WeakPolarHBondContact CA-O 3.39Å; Y555-K775 HydrophobicContact CD1-CB 4.49Å; Y555-K775 WeakPolarHBondContact CD1-O 3.19Å; Y555-K775 HydrophobicContact CE1-CB 3.74Å; Y555-K775 WeakPolarHBondContact CE1-O 3.32Å; Y555-K775 HydrophobicContact CE2-CB 4.16Å; Y555-K775 PolarHBondContact N-O 3.07Å; Y555-K775 PolarHBondContact O-N 2.71Å; Y555-K775 VanDerWaalsContact O-N 3.14Å; Y555-K775 WeakPolarHBondContact OH-CB 3.37Å; Y555-K775 WeakPolarHBondContact OH-CD 3.19Å; N557-K775 HydrophobicContact CB-CB 4.19Å; N557-K775 HydrophobicContact CB-CD 4.05Å; N557-K775 HydrophobicContact CB-CG 4.01Å; R586-K775 HydrophobicContact CB-CG 4.24Å; R586-K775 CarbonylContact O-C 3.54Å; R586-K775 VanDerWaalsContact O-CA 3.24Å; R586-K775 WeakPolarHBondContact O-CA 3.47Å; D588-K775 WeakPolarHBondContact OD1-CD 3.21Å; D588-K775 WeakPolarHBondContact OD1-CE 3.43Å; D588-K775 IonicContact OD1-NZ 2.77Å; D588-K775 PolarHBondContact OD1-NZ 3.49Å
776	G	88.7	Confident	85.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-175.1	175.3	0	0	0	0	0	113.7	D553 R586 F587 D588	D553-G776 WeakPolarHBondContact O-CA 3.49Å; R586-G776 PolarHBondContact O-N 3.11Å; F587-G776 CarbonylContact C-O 3.58Å; F587-G776 WeakPolarHBondContact CA-O 3.49Å; D588-G776 PolarHBondContact N-O 2.96Å
777	S	80.4	Confident	85.2	Confident	20 Å²	20	31 Å²	31	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125	-179.7	-58	0	0	0	0	111.7	D553 K930	D553-S777 PolarHBondContact O-N 3.21Å; S777-K930 PolarHBondContact O-NZ 3.1Å
778	A	77.6	Confident	84.8	Confident	11 Å²	11	31.8 Å²	31.8	9%	0.091	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-82.8	153.8	174.4	0	0	0	0	0	111.8	F587 N598 I780	F587-A778 HydrophobicContact CB-CB 3.69Å; F587-A778 HydrophobicContact CD1-CB 4.12Å; F587-A778 HydrophobicContact CD2-CB 4.46Å; F587-A778 HydrophobicContact CG-CB 3.85Å; N598-A778 HydrophobicContact CB-CB 4.11Å; A778-I780 PolarHBondContact O-N 2.71Å
779	P	71.6	Confident	84.7	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.052	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-59.2	125.9	167.3	-20.1	32.1	0	0	0	110.9	N598 D784 R785	N598-P779 PolarHBondContact ND2-O 3.29Å; P779-D784 HydrophobicContact CB-CB 4.17Å; P779-R785 HydrophobicContact CB-CB 4.28Å
780	I	69.9	Low	84.6	Confident	46 Å²	46	29.6 Å²	29.6	24%	0.236	14%	0.143	C	C	.	.			trans	-80.5	-37.2	-172.4	-52.4	178.7	0	0	0	110.9	Y596 A778 L942	Y596-I780 WeakPolarHBondContact CE2-O 3.5Å; A778-I780 PolarHBondContact O-N 2.71Å; I780-L942 HydrophobicContact CG2-CB 4.01Å; I780-L942 HydrophobicContact CG2-CD1 3.38Å; I780-L942 HydrophobicContact CG2-CG 3.92Å; I780-L942 WeakPolarHBondContact O-CG 3.35Å
781	N	73	Confident	84.5	Confident	13 Å²	13	21.3 Å²	21.3	7%	0.07	11%	0.105	C	C	.	.	S	Bend	trans	-102.9	157.3	-178.4	69.3	64.6	0	0	0	113.1	S783 D784 R785	N781-S783 VanDerWaalsContact C-N 3.34Å; N781-S783 PolarHBondContact O-N 2.84Å; N781-S783 PolarHBondContact OD1-N 3.34Å; N781-D784 PolarHBondContact ND2-OD2 3.31Å; N781-D784 WeakPolarHBondContact OD1-CB 3.48Å; N781-D784 VanDerWaalsContact OD1-CG 3.28Å; N781-D784 PolarHBondContact OD1-N 3.4Å; N781-D784 PolarHBondContact OD1-OD2 2.85Å; N781-R785 PolarHBondContact O-N 3.29Å
782	L	77.7	Confident	84.5	Confident	8 Å²	8	21.5 Å²	21.5	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-63.2	-37.4	-179.3	-179.9	63.6	0	0	0	112.9	Y596 R785 L786 F897 F1000	Y596-L782 HydrophobicContact CD1-CB 4.3Å; Y596-L782 HydrophobicContact CD1-CD1 3.84Å; Y596-L782 HydrophobicContact CE1-CB 3.84Å; Y596-L782 HydrophobicContact CE1-CD1 4.09Å; Y596-L782 HydrophobicContact CE1-CG 4.36Å; Y596-L782 HydrophobicContact CE2-CB 4.33Å; Y596-L782 HydrophobicContact CG-CD1 4.44Å; L782-R785 PolarHBondContact O-N 3.4Å; L782-L786 HydrophobicContact CD1-CD1 4.25Å; L782-L786 HydrophobicContact CD1-CG 4.1Å; L782-L786 HydrophobicContact CD2-CD1 4.45Å; L782-L786 HydrophobicContact CG-CD1 3.99Å; L782-L786 HydrophobicContact CG-CG 4.26Å; L782-L786 WeakPolarHBondContact O-CB 3.41Å; L782-L786 WeakPolarHBondContact O-CG 3.39Å; L782-L786 PolarHBondContact O-N 3.2Å; L782-F897 HydrophobicContact CD1-CE2 4.32Å; L782-F1000 HydrophobicContact CD2-CD2 3.7Å; L782-F1000 HydrophobicContact CD2-CE2 4.15Å
783	S	78.3	Confident	84.5	Confident	3 Å²	3	20.5 Å²	20.5	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-67.1	-42.2	-174.5	-57.2	0	0	0	0	111.7	N781 L786 N787 K946	N781-S783 VanDerWaalsContact C-N 3.34Å; N781-S783 PolarHBondContact O-N 2.84Å; N781-S783 PolarHBondContact OD1-N 3.34Å; S783-L786 PolarHBondContact O-N 2.89Å; S783-N787 PolarHBondContact O-N 3.35Å; S783-N787 PolarHBondContact O-ND2 3.45Å; S783-K946 PolarHBondContact OG-O 3.34Å
784	D	79.1	Confident	84.3	Confident	18 Å²	18	21 Å²	21	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-69.1	-38.1	176.3	-68.2	-23.9	0	0	0	110.9	P779 N781 N787 Q788 T928	P779-D784 HydrophobicContact CB-CB 4.17Å; N781-D784 PolarHBondContact ND2-OD2 3.31Å; N781-D784 WeakPolarHBondContact OD1-CB 3.48Å; N781-D784 VanDerWaalsContact OD1-CG 3.28Å; N781-D784 PolarHBondContact OD1-N 3.4Å; N781-D784 PolarHBondContact OD1-OD2 2.85Å; D784-N787 PolarHBondContact O-N 2.91Å; D784-Q788 WeakPolarHBondContact O-CB 3.28Å; D784-Q788 PolarHBondContact O-N 2.97Å; D784-T928 HydrophobicContact CB-CG2 4.35Å
785	R	83.9	Confident	84.1	Confident	13 Å²	13	20.8 Å²	20.8	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-43.5	173.1	-178.6	55.1	176.2	156	0.7	112.1	N598 P779 N781 L782 Q788 V789 W792 F897	N598-R785 VanDerWaalsContact OD1-CD 3.28Å; N598-R785 WeakPolarHBondContact OD1-CD 3.27Å; N598-R785 PolarHBondContact OD1-NE 2.93Å; P779-R785 HydrophobicContact CB-CB 4.28Å; N781-R785 PolarHBondContact O-N 3.29Å; L782-R785 PolarHBondContact O-N 3.4Å; R785-Q788 WeakPolarHBondContact O-CB 3.49Å; R785-Q788 PolarHBondContact O-N 3.48Å; R785-V789 WeakPolarHBondContact O-CG2 3.14Å; R785-V789 PolarHBondContact O-N 3.4Å; R785-W792 VanDerWaalsContact NH1-CZ3 3.28Å; R785-F897 HydrophobicContact CG-CE2 3.89Å; R785-F897 HydrophobicContact CG-CZ 3.6Å
786	L	87.4	Confident	84.1	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.1	-38.8	175.8	-74.2	176.1	0	0	0	112.7	L782 S783 Q788 V789 L790 I900 A905 L950 L951	L782-L786 HydrophobicContact CD1-CD1 4.25Å; L782-L786 HydrophobicContact CD1-CG 4.1Å; L782-L786 HydrophobicContact CD2-CD1 4.45Å; L782-L786 HydrophobicContact CG-CD1 3.99Å; L782-L786 HydrophobicContact CG-CG 4.26Å; L782-L786 WeakPolarHBondContact O-CB 3.41Å; L782-L786 WeakPolarHBondContact O-CG 3.39Å; L782-L786 PolarHBondContact O-N 3.2Å; S783-L786 PolarHBondContact O-N 2.89Å; L786-Q788 VanDerWaalsContact C-N 3.3Å; L786-Q788 PolarHBondContact O-N 3.07Å; L786-V789 PolarHBondContact O-N 3.15Å; L786-L790 WeakPolarHBondContact O-CB 3.22Å; L786-L790 PolarHBondContact O-N 3.2Å; L786-I900 HydrophobicContact CD2-CG2 4.37Å; L786-A905 HydrophobicContact CD2-CB 4.46Å; L786-L950 HydrophobicContact CB-CD1 4.12Å; L786-L951 HydrophobicContact CD1-CD2 3.32Å
787	N	85.3	Confident	84.3	Confident	39 Å²	39	18.3 Å²	18.3	21%	0.209	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-36.4	173	-80.5	-62.8	0	0	0	111.9	S783 D784 L790 R791 T928	S783-N787 PolarHBondContact O-N 3.35Å; S783-N787 PolarHBondContact O-ND2 3.45Å; D784-N787 PolarHBondContact O-N 2.91Å; N787-L790 WeakPolarHBondContact O-CB 3.5Å; N787-L790 PolarHBondContact O-N 3Å; N787-R791 WeakPolarHBondContact O-CG 3.46Å; N787-R791 PolarHBondContact O-N 3.4Å; N787-R791 VanDerWaalsContact O-N 3.12Å; N787-T928 HydrophobicContact CB-CG2 3.85Å
788	Q	86	Confident	84.8	Confident	19 Å²	19	18.1 Å²	18.1	9%	0.089	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-47.8	173.2	-174.2	-175.8	46.9	0	0	111.6	D784 R785 L786 L790 R791 W792	D784-Q788 WeakPolarHBondContact O-CB 3.28Å; D784-Q788 PolarHBondContact O-N 2.97Å; R785-Q788 WeakPolarHBondContact O-CB 3.49Å; R785-Q788 PolarHBondContact O-N 3.48Å; L786-Q788 VanDerWaalsContact C-N 3.3Å; L786-Q788 PolarHBondContact O-N 3.07Å; Q788-L790 VanDerWaalsContact C-N 3.32Å; Q788-L790 PolarHBondContact O-N 3.14Å; Q788-R791 WeakPolarHBondContact O-CB 3.07Å; Q788-R791 PolarHBondContact O-N 2.97Å; Q788-W792 VanDerWaalsContact CD-CZ2 3.47Å; Q788-W792 HydrophobicContact CG-CD2 4.32Å; Q788-W792 HydrophobicContact CG-CH2 4.17Å; Q788-W792 HydrophobicContact CG-CZ2 3.61Å; Q788-W792 PolarHBondContact O-N 3.03Å; Q788-W792 VanDerWaalsContact O-N 3.17Å
789	V	90.8	Very high	85.4	Confident	7 Å²	7	17.8 Å²	17.8	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-64.2	-37.2	177.7	174.6	0	0	0	0	111.7	R785 L786 R791 W792 A793 F897 A905 H906	R785-V789 WeakPolarHBondContact O-CG2 3.14Å; R785-V789 PolarHBondContact O-N 3.4Å; L786-V789 PolarHBondContact O-N 3.15Å; V789-R791 VanDerWaalsContact C-N 3.32Å; V789-R791 PolarHBondContact O-N 3.3Å; V789-W792 HydrophobicContact CG2-CE3 4.24Å; V789-W792 HydrophobicContact CG2-CZ3 4.36Å; V789-W792 PolarHBondContact O-N 3Å; V789-A793 WeakPolarHBondContact O-CB 3.43Å; V789-A793 PolarHBondContact O-N 3.26Å; V789-F897 HydrophobicContact CG2-CE1 3.81Å; V789-F897 HydrophobicContact CG2-CZ 3.86Å; V789-A905 HydrophobicContact CB-CB 4.18Å; V789-A905 HydrophobicContact CG1-CB 3.9Å; V789-H906 VanDerWaalsContact CG1-NE2 3.28Å; V789-H906 WeakPolarHBondContact CG1-NE2 3.06Å
790	L	91.1	Very high	86.4	Confident	20 Å²	20	19.5 Å²	19.5	11%	0.105	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-45.6	173.6	177.2	73.4	0	0	0	110.8	L786 N787 Q788 A793 L794 A905 F908 A909 L950	L786-L790 WeakPolarHBondContact O-CB 3.22Å; L786-L790 PolarHBondContact O-N 3.2Å; N787-L790 WeakPolarHBondContact O-CB 3.5Å; N787-L790 PolarHBondContact O-N 3Å; Q788-L790 VanDerWaalsContact C-N 3.32Å; Q788-L790 PolarHBondContact O-N 3.14Å; L790-A793 PolarHBondContact O-N 3.29Å; L790-L794 WeakPolarHBondContact O-CB 3.5Å; L790-L794 PolarHBondContact O-N 2.8Å; L790-A905 HydrophobicContact CB-CB 4.07Å; L790-A905 WeakPolarHBondContact CD1-O 3.28Å; L790-F908 HydrophobicContact CD1-CB 3.74Å; L790-A909 HydrophobicContact CD1-CB 4.01Å; L790-L950 HydrophobicContact CD1-CD2 4.25Å; L790-L950 HydrophobicContact CD2-CD1 4.28Å; L790-L950 HydrophobicContact CD2-CD2 4.17Å
791	R	86.9	Confident	87.4	Confident	56 Å²	56	21.2 Å²	21.2	21%	0.211	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-44	178	-71.1	-173.8	-67.1	135	-12.8	112.4	I747 N787 Q788 V789 L794 G795 F925 T928	I747-R791 HydrophobicContact CG2-CB 4.46Å; N787-R791 WeakPolarHBondContact O-CG 3.46Å; N787-R791 PolarHBondContact O-N 3.4Å; N787-R791 VanDerWaalsContact O-N 3.12Å; Q788-R791 WeakPolarHBondContact O-CB 3.07Å; Q788-R791 PolarHBondContact O-N 2.97Å; V789-R791 VanDerWaalsContact C-N 3.32Å; V789-R791 PolarHBondContact O-N 3.3Å; R791-L794 PolarHBondContact O-N 3.44Å; R791-G795 PolarHBondContact O-N 2.89Å; R791-F925 VanDerWaalsContact CD-CE2 3.47Å; R791-T928 PolarHBondContact NH2-OG1 2.87Å
792	W	91.6	Very high	88.2	Confident	92 Å²	92	22.6 Å²	22.6	35%	0.348	11%	0.105	S	C	.	.	H	α-helix	trans	-63.2	-43.6	177.2	-61.5	-21.7	0	0	0	112.1	R785 Q788 V789 G795 S796	R785-W792 VanDerWaalsContact NH1-CZ3 3.28Å; Q788-W792 VanDerWaalsContact CD-CZ2 3.47Å; Q788-W792 HydrophobicContact CG-CD2 4.32Å; Q788-W792 HydrophobicContact CG-CH2 4.17Å; Q788-W792 HydrophobicContact CG-CZ2 3.61Å; Q788-W792 PolarHBondContact O-N 3.03Å; Q788-W792 VanDerWaalsContact O-N 3.17Å; V789-W792 HydrophobicContact CG2-CE3 4.24Å; V789-W792 HydrophobicContact CG2-CZ3 4.36Å; V789-W792 PolarHBondContact O-N 3Å; W792-G795 PolarHBondContact O-N 3.01Å; W792-S796 WeakPolarHBondContact O-CB 3.47Å; W792-S796 PolarHBondContact O-N 3.48Å; W792-S796 PolarHBondContact O-OG 2.82Å
793	A	93.1	Very high	88.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-41.5	178	0	0	0	0	0	111.7	V789 L790 S796 V797 Y830 P831 A909	V789-A793 WeakPolarHBondContact O-CB 3.43Å; V789-A793 PolarHBondContact O-N 3.26Å; L790-A793 PolarHBondContact O-N 3.29Å; A793-S796 PolarHBondContact O-N 2.87Å; A793-V797 WeakPolarHBondContact O-CG2 3.31Å; A793-V797 PolarHBondContact O-N 2.9Å; A793-Y830 WeakPolarHBondContact CA-OH 3.48Å; A793-Y830 PolarHBondContact N-OH 3.35Å; A793-P831 HydrophobicContact CB-CB 4.15Å; A793-P831 HydrophobicContact CB-CG 4.09Å; A793-A909 HydrophobicContact CB-CB 3.43Å; A793-A909 VanDerWaalsContact CB-CB 3.43Å
794	L	90.8	Very high	89.2	Confident	9 Å²	9	33 Å²	33	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-47.5	177	-175.5	64.3	0	0	0	111.3	I747 L790 R791 S796 V797 E798 A909 Q912	I747-L794 HydrophobicContact CD1-CD2 3.52Å; I747-L794 HydrophobicContact CD1-CG 4.01Å; L790-L794 WeakPolarHBondContact O-CB 3.5Å; L790-L794 PolarHBondContact O-N 2.8Å; R791-L794 PolarHBondContact O-N 3.44Å; L794-S796 VanDerWaalsContact C-N 3.29Å; L794-S796 PolarHBondContact O-N 3.5Å; L794-V797 PolarHBondContact O-N 3.3Å; L794-E798 WeakPolarHBondContact O-CG 3.15Å; L794-E798 PolarHBondContact O-N 3.33Å; L794-A909 HydrophobicContact CB-CB 4.28Å; L794-Q912 HydrophobicContact CD1-CB 4.03Å
795	G	89.7	Confident	89.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-37.9	176.3	0	0	0	0	0	112.9	S746 T748 R791 W792 E798 I799	S746-G795 WeakPolarHBondContact OG-CA 3.32Å; S746-G795 PolarHBondContact OG-O 3.41Å; T748-G795 VanDerWaalsContact OG1-CA 3.29Å; T748-G795 WeakPolarHBondContact OG1-CA 3.47Å; T748-G795 PolarHBondContact OG1-O 3.35Å; R791-G795 PolarHBondContact O-N 2.89Å; W792-G795 PolarHBondContact O-N 3.01Å; G795-E798 WeakPolarHBondContact O-CB 3.34Å; G795-E798 PolarHBondContact O-N 3.32Å; G795-I799 WeakPolarHBondContact O-CG1 3.48Å; G795-I799 PolarHBondContact O-N 2.86Å
796	S	93.1	Very high	90.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-41.1	175.6	-59.1	0	0	0	0	112.6	W792 A793 L794 I799 F800 T827 Y830	W792-S796 WeakPolarHBondContact O-CB 3.47Å; W792-S796 PolarHBondContact O-N 3.48Å; W792-S796 PolarHBondContact O-OG 2.82Å; A793-S796 PolarHBondContact O-N 2.87Å; L794-S796 VanDerWaalsContact C-N 3.29Å; L794-S796 PolarHBondContact O-N 3.5Å; S796-I799 PolarHBondContact O-N 3.29Å; S796-F800 PolarHBondContact O-N 2.81Å; S796-T827 PolarHBondContact OG-O 3.45Å; S796-Y830 WeakPolarHBondContact OG-CE1 3.37Å
797	V	92.6	Very high	90.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.7	-40.1	174.2	174.2	0	0	0	0	111	A793 L794 F800 F801 P831 F832 V910	A793-V797 WeakPolarHBondContact O-CG2 3.31Å; A793-V797 PolarHBondContact O-N 2.9Å; L794-V797 PolarHBondContact O-N 3.3Å; V797-F800 WeakPolarHBondContact O-CB 3.38Å; V797-F800 PolarHBondContact O-N 3.22Å; V797-F801 HydrophobicContact CG1-CD2 3.82Å; V797-F801 HydrophobicContact CG1-CE2 3.82Å; V797-F801 WeakPolarHBondContact O-CD2 3.2Å; V797-F801 PolarHBondContact O-N 3.41Å; V797-F801 VanDerWaalsContact O-N 3.16Å; V797-P831 HydrophobicContact CG2-CB 3.9Å; V797-P831 HydrophobicContact CG2-CG 4.11Å; V797-F832 HydrophobicContact CG1-CZ 4.19Å; V797-F832 HydrophobicContact CG2-CE2 4.13Å; V797-F832 HydrophobicContact CG2-CZ 4.32Å; V797-V910 HydrophobicContact CG2-CG2 4.15Å
798	E	90.4	Very high	90.6	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-45.2	173.6	-71.2	176.9	159.2	0	0	111.5	S746 I747 L794 G795 F800 F801 S802 K916	S746-E798 WeakPolarHBondContact CA-OE2 3.28Å; I747-E798 PolarHBondContact N-OE2 3.36Å; L794-E798 WeakPolarHBondContact O-CG 3.15Å; L794-E798 PolarHBondContact O-N 3.33Å; G795-E798 WeakPolarHBondContact O-CB 3.34Å; G795-E798 PolarHBondContact O-N 3.32Å; E798-F800 VanDerWaalsContact C-N 3.31Å; E798-F800 PolarHBondContact O-N 3.05Å; E798-F801 PolarHBondContact O-N 2.94Å; E798-S802 VanDerWaalsContact O-CB 3.26Å; E798-S802 WeakPolarHBondContact O-CB 3.25Å; E798-S802 PolarHBondContact O-N 3.33Å; E798-K916 WeakPolarHBondContact OE1-CD 3.37Å; E798-K916 WeakPolarHBondContact OE1-CE 3.5Å; E798-K916 IonicContact OE1-NZ 3.95Å; E798-K916 PolarHBondContact OE1-NZ 3.19Å
799	I	91.5	Very high	90.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-43	176.2	-67.3	166.8	0	0	0	110.5	T748 L752 G795 S796 F801 S802 T828	T748-I799 WeakPolarHBondContact OG1-CD1 3.33Å; L752-I799 HydrophobicContact CB-CD1 4.05Å; L752-I799 HydrophobicContact CB-CG1 4.4Å; G795-I799 WeakPolarHBondContact O-CG1 3.48Å; G795-I799 PolarHBondContact O-N 2.86Å; S796-I799 PolarHBondContact O-N 3.29Å; I799-F801 VanDerWaalsContact C-N 3.34Å; I799-F801 PolarHBondContact O-N 3.4Å; I799-S802 PolarHBondContact O-N 3.42Å; I799-S802 PolarHBondContact O-OG 3.37Å; I799-T828 HydrophobicContact CB-CG2 4.24Å; I799-T828 HydrophobicContact CG2-CG2 3.66Å
800	F	93.2	Very high	90.7	Very high	45 Å²	45	42.2 Å²	42.2	20%	0.197	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-43	-179.9	179.5	-95	0	0	0	112.9	S796 V797 E798 S805 L807 I829 F832	S796-F800 PolarHBondContact O-N 2.81Å; V797-F800 WeakPolarHBondContact O-CB 3.38Å; V797-F800 PolarHBondContact O-N 3.22Å; E798-F800 VanDerWaalsContact C-N 3.31Å; E798-F800 PolarHBondContact O-N 3.05Å; F800-S805 WeakPolarHBondContact O-CB 3.18Å; F800-S805 PolarHBondContact O-OG 3.44Å; F800-S805 VanDerWaalsContact O-OG 3.06Å; F800-L807 HydrophobicContact CE2-CD1 3.6Å; F800-L807 HydrophobicContact CZ-CD1 4.15Å; F800-I829 HydrophobicContact CD2-CD1 4.47Å; F800-I829 HydrophobicContact CD2-CG1 3.79Å; F800-I829 HydrophobicContact CE2-CD1 3.91Å; F800-I829 HydrophobicContact CE2-CG1 3.65Å; F800-F832 HydrophobicContact CB-CE2 4.35Å; F800-F832 AromaticContact CD1-CE2 3.91Å; F800-F832 HydrophobicContact CD1-CE2 3.91Å; F800-F832 AromaticContact CD1-CZ 3.86Å; F800-F832 HydrophobicContact CD1-CZ 3.86Å; F800-F832 HydrophobicContact CE1-CE2 4.36Å; F800-F832 HydrophobicContact CE1-CZ 4.18Å; F800-F832 AromaticContact CG-CE2 4Å; F800-F832 HydrophobicContact CG-CE2 4Å; F800-F832 HydrophobicContact CG-CZ 4.4Å
801	F	90.8	Very high	90.6	Very high	82 Å²	82	47.2 Å²	47.2	36%	0.36	22%	0.215	S	C	.	.	H	α-helix	trans	-87.7	-9.1	178.4	-71.1	-66.4	0	0	0	114.1	V797 E798 I799 F832 L914 V917	V797-F801 HydrophobicContact CG1-CD2 3.82Å; V797-F801 HydrophobicContact CG1-CE2 3.82Å; V797-F801 WeakPolarHBondContact O-CD2 3.2Å; V797-F801 PolarHBondContact O-N 3.41Å; V797-F801 VanDerWaalsContact O-N 3.16Å; E798-F801 PolarHBondContact O-N 2.94Å; I799-F801 VanDerWaalsContact C-N 3.34Å; I799-F801 PolarHBondContact O-N 3.4Å; F801-F832 HydrophobicContact CE2-CE1 4.28Å; F801-F832 AromaticContact CE2-CZ 3.7Å; F801-F832 HydrophobicContact CE2-CZ 3.7Å; F801-F832 HydrophobicContact CZ-CE1 4.34Å; F801-F832 HydrophobicContact CZ-CZ 4Å; F801-L914 HydrophobicContact CE2-CD2 3.69Å; F801-L914 HydrophobicContact CZ-CD2 3.52Å; F801-V917 HydrophobicContact CB-CG1 4.12Å; F801-V917 HydrophobicContact CB-CG2 3.64Å; F801-V917 HydrophobicContact CD1-CG1 4.3Å; F801-V917 HydrophobicContact CD2-CG2 3.84Å; F801-V917 HydrophobicContact CG-CB 4.49Å; F801-V917 HydrophobicContact CG-CG1 4.12Å; F801-V917 HydrophobicContact CG-CG2 3.87Å
802	S	88.2	Confident	90.1	Very high	41 Å²	41	54.4 Å²	54.4	29%	0.287	25%	0.248	S	C	.	.	S	Bend	trans	-73.6	168.5	175.8	79.3	0	0	0	0	112.6	E798 I799 H804 S805	E798-S802 VanDerWaalsContact O-CB 3.26Å; E798-S802 WeakPolarHBondContact O-CB 3.25Å; E798-S802 PolarHBondContact O-N 3.33Å; I799-S802 PolarHBondContact O-N 3.42Å; I799-S802 PolarHBondContact O-OG 3.37Å; S802-H804 PolarHBondContact O-N 3.41Å; S802-H804 PolarHBondContact OG-N 2.98Å; S802-H804 VanDerWaalsContact OG-N 3.08Å; S802-S805 PolarHBondContact O-N 3.14Å
803	R	88.2	Confident	89.2	Confident	203 Å²	203	55.4 Å²	55.4	77%	0.766	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.2	169.3	175	175.9	155.5	143.5	-7.7	113.3	S805	R803-S805 VanDerWaalsContact C-N 3.33Å
804	H	88.7	Confident	88.7	Confident	26 Å²	26	58.3 Å²	58.3	12%	0.12	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	19.4	-177.7	-60.4	-67	0	0	0	113.7	L752 F755 S802 P806 Y809	L752-H804 HydrophobicContact CD1-CB 3.41Å; L752-H804 VanDerWaalsContact CD1-CB 3.41Å; F755-H804 VanDerWaalsContact CE1-O 3.25Å; F755-H804 WeakPolarHBondContact CE1-O 3.48Å; S802-H804 PolarHBondContact O-N 3.41Å; S802-H804 PolarHBondContact OG-N 2.98Å; S802-H804 VanDerWaalsContact OG-N 3.08Å; H804-P806 WeakPolarHBondContact O-CD 3.37Å; H804-Y809 AromaticContact ND1-CE2 3.84Å; H804-Y809 AromaticContact ND1-CZ 3.97Å
805	S	91.7	Very high	88.6	Confident	8 Å²	8	61.3 Å²	61.3	6%	0.056	31%	0.305	C	S	.	.			trans	-55.4	122.6	175.1	-171.6	0	0	0	0	112.1	F800 S802 R803 L807 L808 Y809	F800-S805 WeakPolarHBondContact O-CB 3.18Å; F800-S805 PolarHBondContact O-OG 3.44Å; F800-S805 VanDerWaalsContact O-OG 3.06Å; S802-S805 PolarHBondContact O-N 3.14Å; R803-S805 VanDerWaalsContact C-N 3.33Å; S805-L807 PolarHBondContact O-N 2.66Å; S805-L808 PolarHBondContact O-N 2.82Å; S805-Y809 VanDerWaalsContact O-CB 3.26Å; S805-Y809 WeakPolarHBondContact O-CB 3.35Å; S805-Y809 PolarHBondContact O-N 3.4Å
806	P	92.4	Very high	88.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	179.9	-27.1	35.9	0	0	0	114.8	F755 H804 R821 I825 T828	F755-P806 HydrophobicContact CE1-CG 4.27Å; F755-P806 HydrophobicContact CE2-CB 4.12Å; F755-P806 HydrophobicContact CE2-CG 4.23Å; F755-P806 HydrophobicContact CZ-CB 3.97Å; F755-P806 HydrophobicContact CZ-CG 4.03Å; H804-P806 WeakPolarHBondContact O-CD 3.37Å; P806-R821 PolarHBondContact O-NH1 3.47Å; P806-I825 HydrophobicContact CB-CG1 3.92Å; P806-T828 HydrophobicContact CG-CG2 3.79Å
807	L	91.4	Very high	88.8	Confident	68 Å²	68	66.6 Å²	66.6	36%	0.356	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.9	175.2	-70.7	177	0	0	0	113.2	F800 S805 Y811 I825 I829	F800-L807 HydrophobicContact CE2-CD1 3.6Å; F800-L807 HydrophobicContact CZ-CD1 4.15Å; S805-L807 PolarHBondContact O-N 2.66Å; L807-Y811 WeakPolarHBondContact O-CE2 3.45Å; L807-Y811 PolarHBondContact O-OH 2.69Å; L807-I825 HydrophobicContact CD2-CD1 3.81Å; L807-I825 HydrophobicContact CD2-CG1 3.94Å; L807-I825 HydrophobicContact CD2-CG2 4.04Å; L807-I825 HydrophobicContact CG-CG1 4.47Å; L807-I829 HydrophobicContact CD1-CD1 4.33Å
808	L	89.7	Confident	88.8	Confident	148 Å²	148	74.2 Å²	74.2	78%	0.775	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-21.8	-171.7	-60.1	175.9	0	0	0	113.3	S805 Y811	S805-L808 PolarHBondContact O-N 2.82Å; L808-Y811 WeakPolarHBondContact O-CD2 3.35Å
809	Y	91.2	Very high	89	Confident	47 Å²	47	74.1 Å²	74.1	18%	0.184	36%	0.357	C	S	.	.	S	Bend	trans	-91.4	150.5	-175.9	-173.9	-95	0	0	0	113	F755 K756 C759 H804 S805 R821	F755-Y809 AromaticContact CE1-CD1 3.55Å; F755-Y809 HydrophobicContact CE1-CD1 3.55Å; F755-Y809 HydrophobicContact CE1-CE1 4.31Å; F755-Y809 HydrophobicContact CE1-CG 4.37Å; F755-Y809 AromaticContact CZ-CD1 3.9Å; F755-Y809 HydrophobicContact CZ-CD1 3.9Å; K756-Y809 HydrophobicContact CD-CE1 4.2Å; K756-Y809 VanDerWaalsContact CD-OH 3.29Å; K756-Y809 WeakPolarHBondContact CD-OH 3.25Å; K756-Y809 VanDerWaalsContact CE-OH 3.28Å; K756-Y809 WeakPolarHBondContact CE-OH 3.46Å; K756-Y809 PolarHBondContact NZ-OH 3.31Å; C759-Y809 HydrophobicContact CB-CE1 4.26Å; H804-Y809 AromaticContact ND1-CE2 3.84Å; H804-Y809 AromaticContact ND1-CZ 3.97Å; S805-Y809 VanDerWaalsContact O-CB 3.26Å; S805-Y809 WeakPolarHBondContact O-CB 3.35Å; S805-Y809 PolarHBondContact O-N 3.4Å; Y809-R821 PolarHBondContact O-NH1 2.86Å
810	G	87.9	Confident	89.1	Confident	19 Å²	19	73.9 Å²	73.9	20%	0.196	36%	0.356	C	S	.	.	S	Bend	trans	78.4	19	169	0	0	0	0	0	116.1	R821	G810-R821 PolarHBondContact O-NH2 3.23Å
811	Y	88.6	Confident	89.2	Confident	125 Å²	125	72.7 Å²	72.7	49%	0.49	35%	0.351	S	S	.	.			trans	-82.9	-24.8	176.6	-72.2	-89.7	0	0	0	114	L807 L808 N813 G814	L807-Y811 WeakPolarHBondContact O-CE2 3.45Å; L807-Y811 PolarHBondContact O-OH 2.69Å; L808-Y811 WeakPolarHBondContact O-CD2 3.35Å; Y811-N813 VanDerWaalsContact C-N 3.3Å; Y811-N813 PolarHBondContact O-N 2.95Å; Y811-N813 VanDerWaalsContact O-N 3.15Å; Y811-G814 PolarHBondContact O-N 2.78Å
812	K	76.8	Confident	89.3	Confident	207 Å²	207	71.9 Å²	71.9	90%	0.9	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.9	-169	-67.7	-173	177.6	-175.6	0	114.6
813	N	73.6	Confident	89.7	Confident	113 Å²	113	70.1 Å²	70.1	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-8.1	-173.3	-64.6	-9.9	0	0	0	114.2	Y811 N815	Y811-N813 VanDerWaalsContact C-N 3.3Å; Y811-N813 PolarHBondContact O-N 2.95Å; Y811-N813 VanDerWaalsContact O-N 3.15Å; N813-N815 PolarHBondContact O-N 3.35Å; N813-N815 VanDerWaalsContact O-N 3.13Å; N813-N815 PolarHBondContact O-OD1 3.35Å
814	G	82.1	Confident	90	Very high	60 Å²	60	60.6 Å²	60.6	62%	0.619	30%	0.299	S	S	*	.			trans	63.5	14	-178.5	0	0	0	0	0	116	Y811 L816	Y811-G814 PolarHBondContact O-N 2.78Å; G814-L816 PolarHBondContact O-N 3.46Å
815	N	89.3	Confident	90.3	Very high	72 Å²	72	60 Å²	60	39%	0.385	30%	0.297	S	S	.	.			trans	-79.8	-13.5	-173.3	-74.3	-13	0	0	0	114.7	R760 N813	R760-N815 PolarHBondContact O-ND2 3.46Å; R760-N815 VanDerWaalsContact O-ND2 3.08Å; N813-N815 PolarHBondContact O-N 3.35Å; N813-N815 VanDerWaalsContact O-N 3.13Å; N813-N815 PolarHBondContact O-OD1 3.35Å
816	L	92.9	Very high	90.4	Very high	11 Å²	11	60.8 Å²	60.8	6%	0.058	30%	0.3	C	S	.	.	S	Bend	trans	-93.3	122.4	175.7	-171.3	71.1	0	0	0	109.7	F755 H758 G814 E820 R821 Y824	F755-L816 HydrophobicContact CD2-CD2 4.44Å; F755-L816 HydrophobicContact CE2-CD2 3.74Å; H758-L816 HydrophobicContact CB-CD1 3.77Å; G814-L816 PolarHBondContact O-N 3.46Å; L816-E820 HydrophobicContact CD1-CB 4.12Å; L816-E820 HydrophobicContact CD1-CG 3.61Å; L816-E820 HydrophobicContact CG-CB 4.42Å; L816-E820 HydrophobicContact CG-CG 4.39Å; L816-R821 HydrophobicContact CD2-CB 3.8Å; L816-R821 HydrophobicContact CD2-CG 4.18Å; L816-R821 HydrophobicContact CG-CB 4.34Å; L816-Y824 HydrophobicContact CD1-CD2 4.33Å; L816-Y824 HydrophobicContact CD1-CE2 4.14Å; L816-Y824 HydrophobicContact CD2-CD2 4.43Å
817	K	93.6	Very high	90.4	Very high	103 Å²	103	62.3 Å²	62.3	45%	0.448	31%	0.31	S	S	.	.			trans	-62.3	146.3	177.4	-66.7	-176.5	-179.5	175.8	0	110.8	I614 Q615 L819 E820 R821	I614-K817 HydrophobicContact CG2-CB 3.95Å; I614-K817 HydrophobicContact CG2-CD 3.76Å; I614-K817 HydrophobicContact CG2-CG 4.5Å; I614-K817 PolarHBondContact O-NZ 3.23Å; Q615-K817 HydrophobicContact CB-CD 4.33Å; K817-L819 PolarHBondContact O-N 2.88Å; K817-E820 HydrophobicContact CB-CB 4.05Å; K817-E820 WeakPolarHBondContact O-CB 3.47Å; K817-E820 PolarHBondContact O-N 3.2Å; K817-E820 VanDerWaalsContact O-N 3.14Å; K817-R821 PolarHBondContact O-N 3.32Å
818	W	92.6	Very high	90.5	Very high	159 Å²	159	59.2 Å²	59.2	60%	0.602	29%	0.294	S	S	*	.	H	α-helix	trans	-64	-38.9	-175.5	73.1	-91.7	0	0	0	113.1	E820 R821 F822	W818-E820 VanDerWaalsContact C-N 3.34Å; W818-R821 WeakPolarHBondContact O-CB 3.43Å; W818-R821 PolarHBondContact O-N 3.16Å; W818-F822 HydrophobicContact CE3-CD1 4.3Å; W818-F822 HydrophobicContact CE3-CD2 4.42Å; W818-F822 HydrophobicContact CE3-CE1 4.2Å; W818-F822 HydrophobicContact CE3-CE2 4.32Å; W818-F822 HydrophobicContact CE3-CG 4.42Å; W818-F822 HydrophobicContact CE3-CZ 4.21Å; W818-F822 HydrophobicContact CZ3-CD2 4.14Å; W818-F822 AromaticContact CZ3-CE2 3.96Å; W818-F822 HydrophobicContact CZ3-CE2 3.96Å; W818-F822 HydrophobicContact CZ3-CZ 4.23Å; W818-F822 VanDerWaalsContact O-CD1 3.32Å; W818-F822 WeakPolarHBondContact O-CD1 3.48Å; W818-F822 PolarHBondContact O-N 3.29Å
819	L	94	Very high	90.7	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-36.7	173.9	-76.5	172.3	0	0	0	112.3	F313 F317 I614 K817 R821 F822 A823	F313-L819 HydrophobicContact CB-CD2 3.86Å; F317-L819 HydrophobicContact CD2-CD1 4.02Å; F317-L819 HydrophobicContact CE2-CD1 3.77Å; I614-L819 HydrophobicContact CD1-CB 3.71Å; I614-L819 HydrophobicContact CD1-CD1 4.19Å; I614-L819 HydrophobicContact CG1-CB 4.27Å; I614-L819 HydrophobicContact CG1-CD1 4.31Å; I614-L819 HydrophobicContact CG2-CB 4.04Å; K817-L819 PolarHBondContact O-N 2.88Å; L819-R821 VanDerWaalsContact C-N 3.33Å; L819-F822 WeakPolarHBondContact O-CB 3.42Å; L819-F822 PolarHBondContact O-N 2.94Å; L819-A823 PolarHBondContact O-N 3.47Å
820	E	95.1	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-41.3	174.6	-171.4	70.4	-170	0	0	110.4	I614 Q615 H758 L816 K817 W818 F822 A823 Y824	I614-E820 HydrophobicContact CG2-CB 4.09Å; Q615-E820 HydrophobicContact CB-CB 4.17Å; Q615-E820 HydrophobicContact CB-CG 3.86Å; H758-E820 IonicContact CE1-OE1 3.32Å; H758-E820 IonicContact ND1-OE1 3.87Å; H758-E820 PolarHBondContact ND1-OE1 3.48Å; H758-E820 VanDerWaalsContact ND1-OE1 3.11Å; L816-E820 HydrophobicContact CD1-CB 4.12Å; L816-E820 HydrophobicContact CD1-CG 3.61Å; L816-E820 HydrophobicContact CG-CB 4.42Å; L816-E820 HydrophobicContact CG-CG 4.39Å; K817-E820 HydrophobicContact CB-CB 4.05Å; K817-E820 WeakPolarHBondContact O-CB 3.47Å; K817-E820 PolarHBondContact O-N 3.2Å; K817-E820 VanDerWaalsContact O-N 3.14Å; W818-E820 VanDerWaalsContact C-N 3.34Å; E820-F822 VanDerWaalsContact C-N 3.32Å; E820-F822 PolarHBondContact O-N 3.3Å; E820-A823 WeakPolarHBondContact O-CB 3.46Å; E820-A823 PolarHBondContact O-N 2.89Å; E820-Y824 HydrophobicContact CG-CD2 4.02Å; E820-Y824 HydrophobicContact CG-CE2 3.74Å; E820-Y824 VanDerWaalsContact O-CD2 3.26Å; E820-Y824 WeakPolarHBondContact O-CD2 3.2Å; E820-Y824 PolarHBondContact O-N 3.47Å; E820-Y824 WeakPolarHBondContact OE1-CE2 3.26Å
821	R	94.5	Very high	91.2	Very high	20 Å²	20	53 Å²	53	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-42	173	-174.1	179	-64.6	-79.8	-0.6	111.5	P806 Y809 G810 L816 K817 W818 L819 A823 Y824 I825	P806-R821 PolarHBondContact O-NH1 3.47Å; Y809-R821 PolarHBondContact O-NH1 2.86Å; G810-R821 PolarHBondContact O-NH2 3.23Å; L816-R821 HydrophobicContact CD2-CB 3.8Å; L816-R821 HydrophobicContact CD2-CG 4.18Å; L816-R821 HydrophobicContact CG-CB 4.34Å; K817-R821 PolarHBondContact O-N 3.32Å; W818-R821 WeakPolarHBondContact O-CB 3.43Å; W818-R821 PolarHBondContact O-N 3.16Å; L819-R821 VanDerWaalsContact C-N 3.33Å; R821-A823 VanDerWaalsContact C-N 3.29Å; R821-A823 PolarHBondContact O-N 2.99Å; R821-Y824 PolarHBondContact O-N 2.92Å; R821-I825 HydrophobicContact CG-CD1 3.87Å; R821-I825 HydrophobicContact CG-CG1 4.33Å; R821-I825 WeakPolarHBondContact O-CB 3.34Å; R821-I825 VanDerWaalsContact O-CG1 3.22Å; R821-I825 WeakPolarHBondContact O-CG1 3.23Å; R821-I825 PolarHBondContact O-N 3.45Å
822	F	93.7	Very high	91.5	Very high	64 Å²	64	48.1 Å²	48.1	28%	0.281	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-41.1	175.9	-84.8	31.6	0	0	0	111.4	L310 F313 W818 L819 E820 I825 N826	L310-F822 HydrophobicContact CD2-CB 4.36Å; L310-F822 HydrophobicContact CD2-CD2 3.94Å; L310-F822 HydrophobicContact CD2-CE2 4.41Å; L310-F822 HydrophobicContact CD2-CG 4.13Å; F313-F822 HydrophobicContact CD2-CD2 4.3Å; F313-F822 HydrophobicContact CD2-CE2 4.25Å; W818-F822 HydrophobicContact CE3-CD1 4.3Å; W818-F822 HydrophobicContact CE3-CD2 4.42Å; W818-F822 HydrophobicContact CE3-CE1 4.2Å; W818-F822 HydrophobicContact CE3-CE2 4.32Å; W818-F822 HydrophobicContact CE3-CG 4.42Å; W818-F822 HydrophobicContact CE3-CZ 4.21Å; W818-F822 HydrophobicContact CZ3-CD2 4.14Å; W818-F822 AromaticContact CZ3-CE2 3.96Å; W818-F822 HydrophobicContact CZ3-CE2 3.96Å; W818-F822 HydrophobicContact CZ3-CZ 4.23Å; W818-F822 VanDerWaalsContact O-CD1 3.32Å; W818-F822 WeakPolarHBondContact O-CD1 3.48Å; W818-F822 PolarHBondContact O-N 3.29Å; L819-F822 WeakPolarHBondContact O-CB 3.42Å; L819-F822 PolarHBondContact O-N 2.94Å; E820-F822 VanDerWaalsContact C-N 3.32Å; E820-F822 PolarHBondContact O-N 3.3Å; F822-I825 PolarHBondContact O-N 3.28Å; F822-N826 WeakPolarHBondContact O-CB 3.32Å; F822-N826 PolarHBondContact O-N 2.95Å
823	A	94.9	Very high	92.4	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-49.3	174.3	0	0	0	0	0	112.1	P314 L611 L819 E820 R821 I825 N826 T827	P314-A823 HydrophobicContact CB-CB 3.95Å; P314-A823 HydrophobicContact CG-CB 3.79Å; L611-A823 HydrophobicContact CD2-CB 3.38Å; L819-A823 PolarHBondContact O-N 3.47Å; E820-A823 WeakPolarHBondContact O-CB 3.46Å; E820-A823 PolarHBondContact O-N 2.89Å; R821-A823 VanDerWaalsContact C-N 3.29Å; R821-A823 PolarHBondContact O-N 2.99Å; A823-I825 VanDerWaalsContact C-N 3.34Å; A823-I825 PolarHBondContact O-N 3.09Å; A823-N826 WeakPolarHBondContact O-CB 3.34Å; A823-N826 PolarHBondContact O-N 2.86Å; A823-N826 VanDerWaalsContact O-N 3.15Å; A823-T827 PolarHBondContact O-N 3.42Å; A823-T827 PolarHBondContact O-OG1 3.2Å; A823-T827 VanDerWaalsContact O-OG1 3.07Å
824	Y	95.3	Very high	93.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-38.3	177	-78.5	-64.1	0	0	0	113	V618 I751 F755 H758 L816 E820 R821 N826 T827 T828	V618-Y824 HydrophobicContact CB-CE1 4.34Å; V618-Y824 HydrophobicContact CG1-CD1 4.21Å; V618-Y824 HydrophobicContact CG1-CE1 3.48Å; V618-Y824 VanDerWaalsContact CG1-CE1 3.48Å; I751-Y824 HydrophobicContact CG2-CD1 4.46Å; I751-Y824 HydrophobicContact CG2-CE1 4.39Å; F755-Y824 HydrophobicContact CB-CD1 3.97Å; F755-Y824 HydrophobicContact CB-CE1 3.62Å; F755-Y824 AromaticContact CD2-CD1 3.83Å; F755-Y824 HydrophobicContact CD2-CD1 3.83Å; F755-Y824 AromaticContact CD2-CD2 3.56Å; F755-Y824 HydrophobicContact CD2-CD2 3.56Å; F755-Y824 HydrophobicContact CD2-CE1 4.08Å; F755-Y824 AromaticContact CD2-CE2 3.81Å; F755-Y824 HydrophobicContact CD2-CE2 3.81Å; F755-Y824 AromaticContact CD2-CG 3.57Å; F755-Y824 HydrophobicContact CD2-CG 3.57Å; F755-Y824 HydrophobicContact CE2-CD2 4.11Å; F755-Y824 HydrophobicContact CE2-CG 4.16Å; F755-Y824 HydrophobicContact CG-CD1 4.21Å; F755-Y824 HydrophobicContact CG-CE1 4.29Å; F755-Y824 HydrophobicContact CG-CG 4.38Å; F755-Y824 PolarHBondContact N-OH 3.02Å; H758-Y824 HydrophobicContact CB-CE2 4.25Å; H758-Y824 AromaticContact ND1-CE2 3.81Å; H758-Y824 AromaticContact ND1-CZ 3.79Å; H758-Y824 PolarHBondContact ND1-OH 3.3Å; L816-Y824 HydrophobicContact CD1-CD2 4.33Å; L816-Y824 HydrophobicContact CD1-CE2 4.14Å; L816-Y824 HydrophobicContact CD2-CD2 4.43Å; E820-Y824 HydrophobicContact CG-CD2 4.02Å; E820-Y824 HydrophobicContact CG-CE2 3.74Å; E820-Y824 VanDerWaalsContact O-CD2 3.26Å; E820-Y824 WeakPolarHBondContact O-CD2 3.2Å; E820-Y824 PolarHBondContact O-N 3.47Å; E820-Y824 WeakPolarHBondContact OE1-CE2 3.26Å; R821-Y824 PolarHBondContact O-N 2.92Å; Y824-N826 VanDerWaalsContact C-N 3.35Å; Y824-T827 PolarHBondContact O-N 3.44Å; Y824-T828 WeakPolarHBondContact O-CG2 3.3Å; Y824-T828 PolarHBondContact O-N 2.9Å; Y824-T828 VanDerWaalsContact O-N 3.09Å; Y824-T828 PolarHBondContact O-OG1 3.48Å
825	I	95.1	Very high	94	Very high	15 Å²	15	34.3 Å²	34.3	8%	0.077	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-48.7	172.9	-70.4	166.3	0	0	0	109.5	L310 P806 L807 R821 F822 A823 T827 T828 I829	L310-I825 HydrophobicContact CD1-CG2 4.25Å; P806-I825 HydrophobicContact CB-CG1 3.92Å; L807-I825 HydrophobicContact CD2-CD1 3.81Å; L807-I825 HydrophobicContact CD2-CG1 3.94Å; L807-I825 HydrophobicContact CD2-CG2 4.04Å; L807-I825 HydrophobicContact CG-CG1 4.47Å; R821-I825 HydrophobicContact CG-CD1 3.87Å; R821-I825 HydrophobicContact CG-CG1 4.33Å; R821-I825 WeakPolarHBondContact O-CB 3.34Å; R821-I825 VanDerWaalsContact O-CG1 3.22Å; R821-I825 WeakPolarHBondContact O-CG1 3.23Å; R821-I825 PolarHBondContact O-N 3.45Å; F822-I825 PolarHBondContact O-N 3.28Å; A823-I825 VanDerWaalsContact C-N 3.34Å; A823-I825 PolarHBondContact O-N 3.09Å; I825-T827 VanDerWaalsContact C-N 3.33Å; I825-T827 PolarHBondContact O-N 3.23Å; I825-T828 PolarHBondContact O-N 2.6Å; I825-T828 VanDerWaalsContact O-N 3.09Å; I825-T828 PolarHBondContact O-OG1 2.84Å; I825-I829 HydrophobicContact CG2-CD1 3.53Å; I825-I829 HydrophobicContact CG2-CG1 4.33Å; I825-I829 WeakPolarHBondContact O-CG1 3.49Å; I825-I829 PolarHBondContact O-N 3.25Å
826	N	94.6	Very high	94.3	Very high	24 Å²	24	31.6 Å²	31.6	13%	0.128	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-47	177.2	-168.4	36.4	0	0	0	111.6	L310 F822 A823 Y824 T828 I829 Y830	L310-N826 HydrophobicContact CB-CB 4.11Å; F822-N826 WeakPolarHBondContact O-CB 3.32Å; F822-N826 PolarHBondContact O-N 2.95Å; A823-N826 WeakPolarHBondContact O-CB 3.34Å; A823-N826 PolarHBondContact O-N 2.86Å; A823-N826 VanDerWaalsContact O-N 3.15Å; Y824-N826 VanDerWaalsContact C-N 3.35Å; N826-T828 PolarHBondContact O-N 3.12Å; N826-I829 PolarHBondContact O-N 3.48Å; N826-Y830 WeakPolarHBondContact O-CB 3.37Å; N826-Y830 PolarHBondContact O-N 2.89Å
827	T	92.7	Very high	94.5	Very high	33 Å²	33	31.2 Å²	31.2	20%	0.202	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-24.6	178.3	-54.6	0	0	0	0	113.8	I751 S796 A823 Y824 I825 Y830	I751-T827 HydrophobicContact CD1-CG2 3.78Å; I751-T827 HydrophobicContact CG2-CG2 4.04Å; S796-T827 PolarHBondContact OG-O 3.45Å; A823-T827 PolarHBondContact O-N 3.42Å; A823-T827 PolarHBondContact O-OG1 3.2Å; A823-T827 VanDerWaalsContact O-OG1 3.07Å; Y824-T827 PolarHBondContact O-N 3.44Å; I825-T827 VanDerWaalsContact C-N 3.33Å; I825-T827 PolarHBondContact O-N 3.23Å; T827-Y830 WeakPolarHBondContact O-CD1 3.48Å; T827-Y830 VanDerWaalsContact O-CE1 3.25Å; T827-Y830 WeakPolarHBondContact O-CE1 3.5Å
828	T	92.7	Very high	94.6	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-90.8	-28.6	175.3	57.7	0	0	0	0	113.8	I799 P806 Y824 I825 N826	I799-T828 HydrophobicContact CB-CG2 4.24Å; I799-T828 HydrophobicContact CG2-CG2 3.66Å; P806-T828 HydrophobicContact CG-CG2 3.79Å; Y824-T828 WeakPolarHBondContact O-CG2 3.3Å; Y824-T828 PolarHBondContact O-N 2.9Å; Y824-T828 VanDerWaalsContact O-N 3.09Å; Y824-T828 PolarHBondContact O-OG1 3.48Å; I825-T828 PolarHBondContact O-N 2.6Å; I825-T828 VanDerWaalsContact O-N 3.09Å; I825-T828 PolarHBondContact O-OG1 2.84Å; N826-T828 PolarHBondContact O-N 3.12Å
829	I	93.3	Very high	94.7	Very high	31 Å²	31	22.6 Å²	22.6	16%	0.159	12%	0.118	C	C	.	.	H	α-helix	trans	-95.6	-18.2	-174	-63.5	178.7	0	0	0	112.6	W303 F800 L807 I825 N826 P831 F832	W303-I829 HydrophobicContact CZ2-CG2 4.17Å; F800-I829 HydrophobicContact CD2-CD1 4.47Å; F800-I829 HydrophobicContact CD2-CG1 3.79Å; F800-I829 HydrophobicContact CE2-CD1 3.91Å; F800-I829 HydrophobicContact CE2-CG1 3.65Å; L807-I829 HydrophobicContact CD1-CD1 4.33Å; I825-I829 HydrophobicContact CG2-CD1 3.53Å; I825-I829 HydrophobicContact CG2-CG1 4.33Å; I825-I829 WeakPolarHBondContact O-CG1 3.49Å; I825-I829 PolarHBondContact O-N 3.25Å; N826-I829 PolarHBondContact O-N 3.48Å; I829-P831 VanDerWaalsContact C-N 3.3Å; I829-P831 WeakPolarHBondContact O-CD 3.27Å; I829-P831 VanDerWaalsContact O-N 3.09Å; I829-F832 HydrophobicContact CG2-CB 4.47Å; I829-F832 WeakPolarHBondContact O-CB 3.28Å; I829-F832 PolarHBondContact O-N 2.89Å
830	Y	93.8	Very high	94.7	Very high	51 Å²	51	24.8 Å²	24.8	20%	0.2	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-51.1	-37.3	-175.9	85.2	-92.9	0	0	0	115.1	A793 S796 N826 T827 F832 T833 H906	A793-Y830 WeakPolarHBondContact CA-OH 3.48Å; A793-Y830 PolarHBondContact N-OH 3.35Å; S796-Y830 WeakPolarHBondContact OG-CE1 3.37Å; N826-Y830 WeakPolarHBondContact O-CB 3.37Å; N826-Y830 PolarHBondContact O-N 2.89Å; T827-Y830 WeakPolarHBondContact O-CD1 3.48Å; T827-Y830 VanDerWaalsContact O-CE1 3.25Å; T827-Y830 WeakPolarHBondContact O-CE1 3.5Å; Y830-F832 PolarHBondContact O-N 3.32Å; Y830-T833 VanDerWaalsContact O-CB 3.27Å; Y830-T833 WeakPolarHBondContact O-CB 3.5Å; Y830-T833 PolarHBondContact O-N 3.04Å; Y830-T833 VanDerWaalsContact O-N 3.09Å; Y830-T833 PolarHBondContact O-OG1 3.3Å; Y830-H906 AromaticContact CD2-CE1 3.86Å; Y830-H906 AromaticContact CE2-CE1 3.64Å; Y830-H906 AromaticContact CE2-NE2 3.56Å
831	P	95.1	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-63.8	-31.5	179.7	-22.2	36.2	0	0	0	112.3	A793 V797 I829 T833 S834 H906 V910	A793-P831 HydrophobicContact CB-CB 4.15Å; A793-P831 HydrophobicContact CB-CG 4.09Å; V797-P831 HydrophobicContact CG2-CB 3.9Å; V797-P831 HydrophobicContact CG2-CG 4.11Å; I829-P831 VanDerWaalsContact C-N 3.3Å; I829-P831 WeakPolarHBondContact O-CD 3.27Å; I829-P831 VanDerWaalsContact O-N 3.09Å; P831-T833 PolarHBondContact O-N 3.47Å; P831-S834 WeakPolarHBondContact O-CB 3.17Å; P831-S834 PolarHBondContact O-N 2.91Å; P831-S834 PolarHBondContact O-OG 2.83Å; P831-H906 HydrophobicContact CB-CB 4.44Å; P831-V910 HydrophobicContact CB-CG2 3.9Å; P831-V910 WeakPolarHBondContact O-CG2 3.46Å
832	F	95.5	Very high	94.7	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.105	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.5	178.6	-66.8	-87.1	0	0	0	112.8	W303 V797 F800 F801 I829 Y830 S834 L835 P836 V910	W303-F832 HydrophobicContact CH2-CB 4.39Å; W303-F832 HydrophobicContact CZ2-CB 3.85Å; V797-F832 HydrophobicContact CG1-CZ 4.19Å; V797-F832 HydrophobicContact CG2-CE2 4.13Å; V797-F832 HydrophobicContact CG2-CZ 4.32Å; F800-F832 HydrophobicContact CB-CE2 4.35Å; F800-F832 AromaticContact CD1-CE2 3.91Å; F800-F832 HydrophobicContact CD1-CE2 3.91Å; F800-F832 AromaticContact CD1-CZ 3.86Å; F800-F832 HydrophobicContact CD1-CZ 3.86Å; F800-F832 HydrophobicContact CE1-CE2 4.36Å; F800-F832 HydrophobicContact CE1-CZ 4.18Å; F800-F832 AromaticContact CG-CE2 4Å; F800-F832 HydrophobicContact CG-CE2 4Å; F800-F832 HydrophobicContact CG-CZ 4.4Å; F801-F832 HydrophobicContact CE2-CE1 4.28Å; F801-F832 AromaticContact CE2-CZ 3.7Å; F801-F832 HydrophobicContact CE2-CZ 3.7Å; F801-F832 HydrophobicContact CZ-CE1 4.34Å; F801-F832 HydrophobicContact CZ-CZ 4Å; I829-F832 HydrophobicContact CG2-CB 4.47Å; I829-F832 WeakPolarHBondContact O-CB 3.28Å; I829-F832 PolarHBondContact O-N 2.89Å; Y830-F832 PolarHBondContact O-N 3.32Å; F832-S834 PolarHBondContact O-N 3.48Å; F832-S834 VanDerWaalsContact O-N 3.16Å; F832-L835 PolarHBondContact O-N 3.32Å; F832-P836 WeakPolarHBondContact O-CD 3.36Å; F832-V910 HydrophobicContact CD1-CG1 4.06Å; F832-V910 HydrophobicContact CD1-CG2 4.28Å; F832-V910 HydrophobicContact CE1-CG1 4.11Å; F832-V910 HydrophobicContact CG-CG2 4.45Å
833	T	95.2	Very high	94.7	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.031	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64	-15.2	171.9	-51.5	0	0	0	0	112	W303 F304 Y830 P831 L835 P836 L837 W898	W303-T833 PolarHBondContact NE1-OG1 3.27Å; F304-T833 HydrophobicContact CD1-CG2 3.97Å; F304-T833 HydrophobicContact CE1-CG2 3.83Å; Y830-T833 VanDerWaalsContact O-CB 3.27Å; Y830-T833 WeakPolarHBondContact O-CB 3.5Å; Y830-T833 PolarHBondContact O-N 3.04Å; Y830-T833 VanDerWaalsContact O-N 3.09Å; Y830-T833 PolarHBondContact O-OG1 3.3Å; P831-T833 PolarHBondContact O-N 3.47Å; T833-L835 VanDerWaalsContact C-N 3.33Å; T833-L835 PolarHBondContact O-N 2.96Å; T833-P836 WeakPolarHBondContact O-CD 3.37Å; T833-P836 WeakPolarHBondContact O-CG 3.5Å; T833-L837 WeakPolarHBondContact O-CB 3.33Å; T833-L837 PolarHBondContact O-N 3.22Å; T833-W898 HydrophobicContact CG2-CZ2 4.05Å
834	S	95.5	Very high	94.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-37.6	172	59.2	0	0	0	0	113.8	P831 F832 L837 L838 G902	P831-S834 WeakPolarHBondContact O-CB 3.17Å; P831-S834 PolarHBondContact O-N 2.91Å; P831-S834 PolarHBondContact O-OG 2.83Å; F832-S834 PolarHBondContact O-N 3.48Å; F832-S834 VanDerWaalsContact O-N 3.16Å; S834-L837 PolarHBondContact O-N 2.97Å; S834-L838 WeakPolarHBondContact O-CB 3.31Å; S834-L838 PolarHBondContact O-N 3.13Å; S834-G902 WeakPolarHBondContact CB-O 3.21Å
835	L	95.3	Very high	94.4	Very high	85 Å²	85	23.4 Å²	23.4	45%	0.445	12%	0.124	S	C	.	.	H	α-helix	trans	-64.5	-56.2	-178.4	-61.2	175.5	0	0	0	112	F832 T833 L837 L838 A839 L907 V910	F832-L835 PolarHBondContact O-N 3.32Å; T833-L835 VanDerWaalsContact C-N 3.33Å; T833-L835 PolarHBondContact O-N 2.96Å; L835-L837 VanDerWaalsContact C-N 3.29Å; L835-L837 PolarHBondContact O-N 3.37Å; L835-L838 PolarHBondContact O-N 3.47Å; L835-A839 PolarHBondContact O-N 3.36Å; L835-L907 HydrophobicContact CD2-CD1 3.77Å; L835-V910 HydrophobicContact CD1-CG1 4.23Å; L835-V910 HydrophobicContact CG-CG1 4.49Å
836	P	95.9	Very high	94.3	Very high	15 Å²	15	24.7 Å²	24.7	10%	0.097	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-31.2	174.4	25.4	-32.3	0	0	0	112.1	C300 W303 F304 F832 T833 A839 Y840	C300-P836 HydrophobicContact CB-CB 4.08Å; C300-P836 PolarHBondContact SG-O 2.85Å; W303-P836 HydrophobicContact CB-CB 4.34Å; W303-P836 HydrophobicContact CB-CG 4.19Å; W303-P836 HydrophobicContact CD2-CG 4.14Å; W303-P836 HydrophobicContact CG-CB 4.35Å; W303-P836 HydrophobicContact CG-CG 3.69Å; F304-P836 HydrophobicContact CE1-CB 4.11Å; F304-P836 HydrophobicContact CE1-CG 4.12Å; F304-P836 HydrophobicContact CZ-CB 4.38Å; F832-P836 WeakPolarHBondContact O-CD 3.36Å; T833-P836 WeakPolarHBondContact O-CD 3.37Å; T833-P836 WeakPolarHBondContact O-CG 3.5Å; P836-A839 PolarHBondContact O-N 3.4Å; P836-Y840 WeakPolarHBondContact O-CB 3.46Å; P836-Y840 PolarHBondContact O-N 2.81Å
837	L	95.6	Very high	94	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-45.5	175.6	-175.8	66.2	0	0	0	112.8	F304 T833 S834 L835 A839 Y840 C841 W898 V903	F304-L837 HydrophobicContact CE1-CB 4.34Å; F304-L837 HydrophobicContact CZ-CB 4.26Å; F304-L837 HydrophobicContact CZ-CD1 4.18Å; T833-L837 WeakPolarHBondContact O-CB 3.33Å; T833-L837 PolarHBondContact O-N 3.22Å; S834-L837 PolarHBondContact O-N 2.97Å; L835-L837 VanDerWaalsContact C-N 3.29Å; L835-L837 PolarHBondContact O-N 3.37Å; L837-A839 PolarHBondContact O-N 3.06Å; L837-Y840 PolarHBondContact O-N 2.95Å; L837-C841 WeakPolarHBondContact O-CB 3.32Å; L837-C841 PolarHBondContact O-N 3.27Å; L837-C841 PolarHBondContact O-SG 2.74Å; L837-W898 HydrophobicContact CD1-CH2 4.23Å; L837-W898 HydrophobicContact CD1-CZ3 4.3Å; L837-W898 HydrophobicContact CD2-CH2 4.39Å; L837-V903 HydrophobicContact CD2-CG2 4.4Å; L837-V903 HydrophobicContact CG-CG2 4.42Å
838	L	95.6	Very high	93.8	Very high	49 Å²	49	22.5 Å²	22.5	26%	0.257	12%	0.12	S	C	.	.	H	α-helix	trans	-59.6	-47.7	175.7	178.8	67.6	0	0	0	111	S834 L835 C841 T842 V903 L907 L957	S834-L838 WeakPolarHBondContact O-CB 3.31Å; S834-L838 PolarHBondContact O-N 3.13Å; L835-L838 PolarHBondContact O-N 3.47Å; L838-C841 PolarHBondContact O-N 3.35Å; L838-T842 WeakPolarHBondContact O-CB 3.48Å; L838-T842 PolarHBondContact O-N 3.33Å; L838-T842 VanDerWaalsContact O-N 3.15Å; L838-T842 PolarHBondContact O-OG1 3.29Å; L838-V903 HydrophobicContact CD1-CG1 4.29Å; L838-L907 HydrophobicContact CD2-CD1 4.03Å; L838-L907 HydrophobicContact CD2-CD2 3.72Å; L838-L957 HydrophobicContact CD1-CD1 3.97Å; L838-L957 HydrophobicContact CD1-CD2 4.19Å; L838-L957 HydrophobicContact CD1-CG 4.16Å
839	A	95.2	Very high	93.5	Very high	33 Å²	33	26.3 Å²	26.3	27%	0.273	14%	0.14	S	C	.	.	H	α-helix	trans	-59.6	-49.8	177.1	0	0	0	0	0	110.8	V296 L835 P836 L837 C841 T842 L843	V296-A839 HydrophobicContact CG1-CB 4.07Å; L835-A839 PolarHBondContact O-N 3.36Å; P836-A839 PolarHBondContact O-N 3.4Å; L837-A839 PolarHBondContact O-N 3.06Å; A839-C841 PolarHBondContact O-N 3.3Å; A839-T842 WeakPolarHBondContact O-CB 3.41Å; A839-T842 PolarHBondContact O-N 3.31Å; A839-L843 WeakPolarHBondContact O-CG 3.38Å; A839-L843 PolarHBondContact O-N 3.44Å
840	Y	94.4	Very high	93.2	Very high	60 Å²	60	28.6 Å²	28.6	24%	0.235	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-38.7	-178.3	-167.5	-100.3	0	0	0	113.2	C300 E301 F304 P836 L837 T842 L843 P844	C300-Y840 HydrophobicContact CB-CD2 4.02Å; E301-Y840 HydrophobicContact CG-CE2 4.36Å; F304-Y840 AromaticContact CE2-CD1 3.82Å; F304-Y840 HydrophobicContact CE2-CD1 3.82Å; F304-Y840 HydrophobicContact CE2-CD2 4.07Å; F304-Y840 HydrophobicContact CE2-CE1 4.35Å; F304-Y840 AromaticContact CE2-CG 3.66Å; F304-Y840 HydrophobicContact CE2-CG 3.66Å; F304-Y840 HydrophobicContact CZ-CG 4.26Å; P836-Y840 WeakPolarHBondContact O-CB 3.46Å; P836-Y840 PolarHBondContact O-N 2.81Å; L837-Y840 PolarHBondContact O-N 2.95Å; Y840-T842 VanDerWaalsContact C-N 3.28Å; Y840-T842 PolarHBondContact O-N 3.02Å; Y840-L843 HydrophobicContact CD2-CD1 4.12Å; Y840-L843 PolarHBondContact O-N 3.24Å; Y840-P844 VanDerWaalsContact O-CD 3.22Å; Y840-P844 WeakPolarHBondContact O-CD 3.48Å
841	C	94.9	Very high	92.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-72.8	-18.5	175.2	-68.4	0	0	0	0	113.7	L837 L838 A839 L957 N961 V993	L837-C841 WeakPolarHBondContact O-CB 3.32Å; L837-C841 PolarHBondContact O-N 3.27Å; L837-C841 PolarHBondContact O-SG 2.74Å; L838-C841 PolarHBondContact O-N 3.35Å; A839-C841 PolarHBondContact O-N 3.3Å; C841-L957 HydrophobicContact CB-CD1 3.82Å; C841-N961 PolarHBondContact O-ND2 3.43Å; C841-N961 VanDerWaalsContact O-ND2 3.09Å; C841-V993 HydrophobicContact CB-CG1 4.11Å; C841-V993 HydrophobicContact CB-CG2 4.1Å
842	T	94.6	Very high	91.9	Very high	39 Å²	39	33.2 Å²	33.2	24%	0.239	19%	0.189	C	C	.	.	H	α-helix	trans	-86	-28.6	175.6	-52.4	0	0	0	0	111.9	L838 A839 Y840 A845 V846 L957	L838-T842 WeakPolarHBondContact O-CB 3.48Å; L838-T842 PolarHBondContact O-N 3.33Å; L838-T842 VanDerWaalsContact O-N 3.15Å; L838-T842 PolarHBondContact O-OG1 3.29Å; A839-T842 WeakPolarHBondContact O-CB 3.41Å; A839-T842 PolarHBondContact O-N 3.31Å; Y840-T842 VanDerWaalsContact C-N 3.28Å; Y840-T842 PolarHBondContact O-N 3.02Å; T842-A845 PolarHBondContact O-N 2.84Å; T842-V846 HydrophobicContact CG2-CG2 4.02Å; T842-V846 PolarHBondContact O-N 3.47Å; T842-V846 VanDerWaalsContact O-N 3.15Å; T842-L957 VanDerWaalsContact OG1-CD2 3.24Å; T842-L957 WeakPolarHBondContact OG1-CD2 3.18Å
843	L	92.9	Very high	91.2	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-53.5	-44.8	-177.3	-78	177.8	0	0	0	114.4	L293 V296 A839 Y840 A845 V846 C847 I854	L293-L843 HydrophobicContact CD2-CD2 3.98Å; V296-L843 HydrophobicContact CB-CD2 4.43Å; V296-L843 HydrophobicContact CG1-CD1 4.32Å; V296-L843 HydrophobicContact CG1-CD2 4.12Å; V296-L843 HydrophobicContact CG1-CG 4.46Å; A839-L843 WeakPolarHBondContact O-CG 3.38Å; A839-L843 PolarHBondContact O-N 3.44Å; Y840-L843 HydrophobicContact CD2-CD1 4.12Å; Y840-L843 PolarHBondContact O-N 3.24Å; L843-A845 PolarHBondContact O-N 2.95Å; L843-V846 PolarHBondContact O-N 2.88Å; L843-C847 WeakPolarHBondContact O-CB 3.5Å; L843-C847 PolarHBondContact O-N 3.32Å; L843-C847 PolarHBondContact O-SG 3.01Å; L843-I854 HydrophobicContact CB-CD1 3.76Å; L843-I854 HydrophobicContact CD1-CD1 3.99Å; L843-I854 HydrophobicContact CD2-CD1 4.08Å; L843-I854 HydrophobicContact CG-CD1 4.15Å
844	P	92	Very high	90.6	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.071	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-43.1	179.8	-24.4	35.1	0	0	0	112.7	Y840 V846 C847 L848 F989 A990 V993	Y840-P844 VanDerWaalsContact O-CD 3.22Å; Y840-P844 WeakPolarHBondContact O-CD 3.48Å; P844-V846 PolarHBondContact O-N 3.39Å; P844-C847 PolarHBondContact O-N 3.06Å; P844-L848 WeakPolarHBondContact O-CG 3.44Å; P844-L848 PolarHBondContact O-N 2.95Å; P844-F989 HydrophobicContact CB-CB 3.92Å; P844-F989 HydrophobicContact CG-CB 3.64Å; P844-A990 HydrophobicContact CB-CB 3.94Å; P844-V993 HydrophobicContact CG-CG2 4.33Å
845	A	92.2	Very high	89.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-45.7	176.4	0	0	0	0	0	111.5	T842 L843 C847 L848 L849 I960	T842-A845 PolarHBondContact O-N 2.84Å; L843-A845 PolarHBondContact O-N 2.95Å; A845-C847 PolarHBondContact O-N 3.42Å; A845-L848 PolarHBondContact O-N 3.43Å; A845-L849 VanDerWaalsContact O-CG 3.3Å; A845-L849 WeakPolarHBondContact O-CG 3.38Å; A845-L849 PolarHBondContact O-N 3.11Å; A845-I960 HydrophobicContact CB-CB 4.49Å; A845-I960 HydrophobicContact CB-CG1 4.1Å; A845-I960 HydrophobicContact CB-CG2 3.99Å
846	V	92.4	Very high	88.8	Confident	42 Å²	42	34 Å²	34	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-39.8	177.5	177.5	0	0	0	0	111.5	L293 T842 L843 P844 L848 L849 T850	L293-V846 HydrophobicContact CD1-CG1 4.44Å; L293-V846 HydrophobicContact CD2-CG1 3.8Å; T842-V846 HydrophobicContact CG2-CG2 4.02Å; T842-V846 PolarHBondContact O-N 3.47Å; T842-V846 VanDerWaalsContact O-N 3.15Å; L843-V846 PolarHBondContact O-N 2.88Å; P844-V846 PolarHBondContact O-N 3.39Å; V846-L848 VanDerWaalsContact C-N 3.33Å; V846-L848 PolarHBondContact O-N 3.18Å; V846-L849 PolarHBondContact O-N 3.39Å; V846-T850 HydrophobicContact CG1-CG2 3.98Å; V846-T850 WeakPolarHBondContact O-CB 3.29Å; V846-T850 WeakPolarHBondContact O-CG2 3.4Å; V846-T850 PolarHBondContact O-N 2.95Å; V846-T850 PolarHBondContact O-OG1 3.46Å
847	C	89.4	Confident	87.7	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-33.4	177.2	-68	0	0	0	0	113.2	L843 P844 A845 G851 K852 I854 K986	L843-C847 WeakPolarHBondContact O-CB 3.5Å; L843-C847 PolarHBondContact O-N 3.32Å; L843-C847 PolarHBondContact O-SG 3.01Å; P844-C847 PolarHBondContact O-N 3.06Å; A845-C847 PolarHBondContact O-N 3.42Å; C847-G851 PolarHBondContact O-N 2.77Å; C847-K852 WeakPolarHBondContact CA-O 3.38Å; C847-K852 WeakPolarHBondContact CB-O 3.38Å; C847-I854 WeakPolarHBondContact SG-CD1 3.08Å; C847-I854 VanDerWaalsContact SG-CG1 3.51Å; C847-K986 HydrophobicContact CB-CD 4.49Å; C847-K986 HydrophobicContact CB-CG 4.44Å; C847-K986 PolarHBondContact O-NZ 3.15Å
848	L	88.3	Confident	86.8	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-71.5	-41.7	174.9	-75	163.4	0	0	0	111.4	P844 A845 V846 G964 V965 L983 K986 L987 A990	P844-L848 WeakPolarHBondContact O-CG 3.44Å; P844-L848 PolarHBondContact O-N 2.95Å; A845-L848 PolarHBondContact O-N 3.43Å; V846-L848 VanDerWaalsContact C-N 3.33Å; V846-L848 PolarHBondContact O-N 3.18Å; L848-G964 VanDerWaalsContact CB-O 3.31Å; L848-G964 WeakPolarHBondContact CB-O 3.19Å; L848-V965 HydrophobicContact CD1-CG2 4.08Å; L848-L983 HydrophobicContact CD2-CD1 4.14Å; L848-K986 HydrophobicContact CD2-CB 3.54Å; L848-K986 HydrophobicContact CD2-CD 4.15Å; L848-K986 HydrophobicContact CD2-CG 4.48Å; L848-K986 HydrophobicContact CG-CB 3.95Å; L848-L987 HydrophobicContact CD2-CD2 4.13Å; L848-A990 HydrophobicContact CD1-CB 3.61Å
849	L	87.2	Confident	86	Confident	84 Å²	84	42.9 Å²	42.9	44%	0.44	26%	0.255	S	S	.	.	H	α-helix	trans	-76.2	-36	-178.1	-67.7	171.4	0	0	0	114	A845 V846 I960 I963 A967	A845-L849 VanDerWaalsContact O-CG 3.3Å; A845-L849 WeakPolarHBondContact O-CG 3.38Å; A845-L849 PolarHBondContact O-N 3.11Å; V846-L849 PolarHBondContact O-N 3.39Å; L849-I960 HydrophobicContact CD1-CG1 4.44Å; L849-I963 HydrophobicContact CD2-CG2 4.41Å; L849-A967 HydrophobicContact CD2-CB 3.74Å
850	T	86.1	Confident	85.3	Confident	79 Å²	79	47.2 Å²	47.2	49%	0.485	28%	0.278	S	S	.	.	S	Bend	trans	-89.8	-7.3	-176	59.5	0	0	0	0	113.8	V846 K852	V846-T850 HydrophobicContact CG1-CG2 3.98Å; V846-T850 WeakPolarHBondContact O-CB 3.29Å; V846-T850 WeakPolarHBondContact O-CG2 3.4Å; V846-T850 PolarHBondContact O-N 2.95Å; V846-T850 PolarHBondContact O-OG1 3.46Å; T850-K852 PolarHBondContact O-N 2.91Å; T850-K852 PolarHBondContact OG1-N 2.89Å
851	G	78.5	Confident	84.7	Confident	45 Å²	45	51.1 Å²	51.1	46%	0.464	30%	0.297	S	S	.	.	S	Bend	trans	70.9	-14.3	-171.7	0	0	0	0	0	114.5	C847 K986	C847-G851 PolarHBondContact O-N 2.77Å; G851-K986 PolarHBondContact O-NZ 3Å
852	K	83.4	Confident	84.1	Confident	103 Å²	103	51 Å²	51	45%	0.448	30%	0.296	S	S	.	.			trans	-72.2	158.6	177.5	-62.4	-166.8	176.3	-161.8	0	112	D289 A290 L293 C847 T850 K986	D289-K852 WeakPolarHBondContact O-CE 3.44Å; D289-K852 PolarHBondContact O-NZ 2.98Å; A290-K852 HydrophobicContact CB-CB 4.14Å; A290-K852 HydrophobicContact CB-CD 4.06Å; L293-K852 HydrophobicContact CD1-CB 4Å; C847-K852 WeakPolarHBondContact CA-O 3.38Å; C847-K852 WeakPolarHBondContact CB-O 3.38Å; T850-K852 PolarHBondContact O-N 2.91Å; T850-K852 PolarHBondContact OG1-N 2.89Å; K852-K986 WeakPolarHBondContact O-CE 3.5Å; K852-K986 PolarHBondContact O-NZ 3.42Å; K852-K986 VanDerWaalsContact O-NZ 3.15Å
853	F	81.3	Confident	83.6	Confident	42 Å²	42	50.9 Å²	50.9	18%	0.184	30%	0.297	C	S	.	.			trans	-133.2	145	176.8	-162.5	-132	0	0	0	111.1	M855 K986 F989	F853-M855 VanDerWaalsContact C-N 3.27Å; F853-M855 HydrophobicContact CD1-CB 4.05Å; F853-M855 WeakPolarHBondContact CD1-O 3.42Å; F853-M855 HydrophobicContact CE1-CB 3.75Å; F853-M855 HydrophobicContact CE1-CE 3.87Å; F853-M855 HydrophobicContact CZ-CB 4.41Å; F853-M855 HydrophobicContact CZ-CE 4.02Å; F853-M855 PolarHBondContact O-N 3.49Å; F853-K986 HydrophobicContact CD2-CD 4.17Å; F853-K986 HydrophobicContact CD2-CG 3.43Å; F853-K986 VanDerWaalsContact CD2-CG 3.43Å; F853-K986 HydrophobicContact CE2-CB 4.45Å; F853-K986 HydrophobicContact CE2-CG 3.48Å; F853-K986 VanDerWaalsContact CE2-CG 3.48Å; F853-K986 HydrophobicContact CG-CG 4.49Å; F853-F989 HydrophobicContact CE2-CE2 4.46Å; F853-F989 HydrophobicContact CZ-CE2 4.35Å
854	I	81.6	Confident	83.3	Confident	22 Å²	22	55 Å²	55	11%	0.113	32%	0.318	C	S	.	.	S	Bend	trans	-76.8	-17.5	-174	-71.8	156.8	0	0	0	112.3	V287 L293 S297 L843 C847	V287-I854 WeakPolarHBondContact CG2-O 3.49Å; L293-I854 HydrophobicContact CB-CG1 4.14Å; S297-I854 WeakPolarHBondContact OG-CG2 3.49Å; L843-I854 HydrophobicContact CB-CD1 3.76Å; L843-I854 HydrophobicContact CD1-CD1 3.99Å; L843-I854 HydrophobicContact CD2-CD1 4.08Å; L843-I854 HydrophobicContact CG-CD1 4.15Å; C847-I854 WeakPolarHBondContact SG-CD1 3.08Å; C847-I854 VanDerWaalsContact SG-CG1 3.51Å
855	M	78.9	Confident	83.1	Confident	29 Å²	29	56.8 Å²	56.8	14%	0.143	33%	0.325	C	S	.	.	S	Bend	trans	-122.2	136.3	-171.4	-173.9	162.6	51.8	0	0	110.3	F853 I858 F866	F853-M855 VanDerWaalsContact C-N 3.27Å; F853-M855 HydrophobicContact CD1-CB 4.05Å; F853-M855 WeakPolarHBondContact CD1-O 3.42Å; F853-M855 HydrophobicContact CE1-CB 3.75Å; F853-M855 HydrophobicContact CE1-CE 3.87Å; F853-M855 HydrophobicContact CZ-CB 4.41Å; F853-M855 HydrophobicContact CZ-CE 4.02Å; F853-M855 PolarHBondContact O-N 3.49Å; M855-I858 HydrophobicContact CE-CD1 3.48Å; M855-I858 VanDerWaalsContact CE-CD1 3.48Å; M855-I858 HydrophobicContact CE-CG1 4.25Å; M855-I858 HydrophobicContact CG-CD1 4.17Å; M855-I858 HydrophobicContact CG-CG1 3.99Å; M855-I858 HydrophobicContact SD-CD1 3.4Å; M855-I858 WeakPolarHBondContact SD-CD1 3.36Å; M855-I858 HydrophobicContact SD-CG1 3.89Å; M855-F866 HydrophobicContact CE-CE1 4.37Å; M855-F866 HydrophobicContact CG-CZ 4.44Å; M855-F866 HydrophobicContact SD-CD1 4.29Å; M855-F866 HydrophobicContact SD-CE1 3.31Å; M855-F866 WeakPolarHBondContact SD-CE1 3.2Å; M855-F866 HydrophobicContact SD-CE2 4.08Å; M855-F866 HydrophobicContact SD-CZ 3.21Å; M855-F866 WeakPolarHBondContact SD-CZ 3.38Å
856	P	74.9	Confident	82.8	Confident	38 Å²	38	58.1 Å²	58.1	25%	0.247	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-70.4	169.1	174.2	31	-32.7	0	0	0	110.6	H285 V287 I858	H285-P856 HydrophobicContact CB-CG 4.41Å; V287-P856 HydrophobicContact CG2-CB 4.21Å; V287-P856 VanDerWaalsContact CG2-CD 3.46Å; V287-P856 HydrophobicContact CG2-CG 4.25Å; P856-I858 WeakPolarHBondContact O-CG1 3.37Å; P856-I858 PolarHBondContact O-N 3.41Å; P856-I858 VanDerWaalsContact O-N 3.1Å
857	S	72.9	Confident	82.7	Confident	122 Å²	122	60.9 Å²	60.9	85%	0.853	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-55.4	118.4	171.1	44.9	0	0	0	0	110.1
858	I	75.9	Confident	82.9	Confident	65 Å²	65	62.6 Å²	62.6	33%	0.333	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-84	125	-173.2	-45.9	176	0	0	0	108.5	M855 P856 A862 S863 F866	M855-I858 HydrophobicContact CE-CD1 3.48Å; M855-I858 VanDerWaalsContact CE-CD1 3.48Å; M855-I858 HydrophobicContact CE-CG1 4.25Å; M855-I858 HydrophobicContact CG-CD1 4.17Å; M855-I858 HydrophobicContact CG-CG1 3.99Å; M855-I858 HydrophobicContact SD-CD1 3.4Å; M855-I858 WeakPolarHBondContact SD-CD1 3.36Å; M855-I858 HydrophobicContact SD-CG1 3.89Å; P856-I858 WeakPolarHBondContact O-CG1 3.37Å; P856-I858 PolarHBondContact O-N 3.41Å; P856-I858 VanDerWaalsContact O-N 3.1Å; I858-A862 HydrophobicContact CG2-CB 3.46Å; I858-A862 VanDerWaalsContact CG2-CB 3.46Å; I858-S863 VanDerWaalsContact CG2-N 3.29Å; I858-F866 HydrophobicContact CD1-CD2 4.49Å; I858-F866 HydrophobicContact CD1-CE2 4.35Å
859	S	79.1	Confident	83	Confident	65 Å²	65	63.3 Å²	63.3	46%	0.455	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-68.3	158	169.4	69	0	0	0	0	111.1	F861 A862 S863	S859-F861 PolarHBondContact O-N 2.96Å; S859-F861 VanDerWaalsContact O-N 3.07Å; S859-A862 PolarHBondContact O-N 2.73Å; S859-A862 PolarHBondContact OG-N 3.17Å; S859-S863 PolarHBondContact O-N 2.9Å
860	T	80.9	Confident	83.3	Confident	124 Å²	124	63.3 Å²	63.3	76%	0.761	36%	0.358	S	S	*	.	H	α-helix	trans	-55	-29.9	175.9	-45.9	0	0	0	0	112.7	S863	T860-S863 PolarHBondContact O-OG 3.22Å
861	F	82.7	Confident	83.7	Confident	141 Å²	141	65.4 Å²	65.4	62%	0.618	36%	0.363	S	S	*	.	H	α-helix	trans	-73.4	-44.2	175.3	-176.3	-101.3	0	0	0	111.9	S859 S863 L864 F865	S859-F861 PolarHBondContact O-N 2.96Å; S859-F861 VanDerWaalsContact O-N 3.07Å; F861-S863 VanDerWaalsContact C-N 3.3Å; F861-S863 PolarHBondContact O-N 3.42Å; F861-L864 HydrophobicContact CD2-CD1 4.3Å; F861-L864 WeakPolarHBondContact O-CB 3.25Å; F861-L864 PolarHBondContact O-N 3.06Å; F861-F865 HydrophobicContact CD1-CE2 4.09Å; F861-F865 AromaticContact CE1-CE2 3.64Å; F861-F865 HydrophobicContact CE1-CE2 3.64Å; F861-F865 AromaticContact CE1-CZ 3.72Å; F861-F865 HydrophobicContact CE1-CZ 3.72Å; F861-F865 HydrophobicContact CZ-CE2 4.37Å; F861-F865 HydrophobicContact CZ-CZ 4.04Å
862	A	80.9	Confident	84.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-32.2	-179.4	0	0	0	0	0	112.5	Y281 I858 S859 L864 F865 F866	Y281-A862 HydrophobicContact CD2-CB 4.49Å; Y281-A862 HydrophobicContact CE1-CB 4.08Å; Y281-A862 HydrophobicContact CE2-CB 3.63Å; Y281-A862 VanDerWaalsContact OH-CB 3.23Å; Y281-A862 WeakPolarHBondContact OH-CB 3.15Å; I858-A862 HydrophobicContact CG2-CB 3.46Å; I858-A862 VanDerWaalsContact CG2-CB 3.46Å; S859-A862 PolarHBondContact O-N 2.73Å; S859-A862 PolarHBondContact OG-N 3.17Å; A862-L864 PolarHBondContact O-N 2.81Å; A862-F865 PolarHBondContact O-N 2.87Å; A862-F865 VanDerWaalsContact O-N 3.13Å; A862-F866 WeakPolarHBondContact O-CD2 3.46Å
863	S	84.5	Confident	84.9	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-26.3	176.9	66	0	0	0	0	112.7	I858 S859 T860 F861 F865 F866 I867	I858-S863 VanDerWaalsContact CG2-N 3.29Å; S859-S863 PolarHBondContact O-N 2.9Å; T860-S863 PolarHBondContact O-OG 3.22Å; F861-S863 VanDerWaalsContact C-N 3.3Å; F861-S863 PolarHBondContact O-N 3.42Å; S863-F865 VanDerWaalsContact C-N 3.29Å; S863-F865 PolarHBondContact O-N 3.47Å; S863-F866 PolarHBondContact O-N 3.3Å; S863-I867 WeakPolarHBondContact O-CG1 3.35Å; S863-I867 PolarHBondContact O-N 2.99Å
864	L	87.6	Confident	85.4	Confident	99 Å²	99	65.6 Å²	65.6	52%	0.518	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-36.5	174.5	-63	173.6	0	0	0	112.2	F861 A862 A868	F861-L864 HydrophobicContact CD2-CD1 4.3Å; F861-L864 WeakPolarHBondContact O-CB 3.25Å; F861-L864 PolarHBondContact O-N 3.06Å; A862-L864 PolarHBondContact O-N 2.81Å; L864-A868 WeakPolarHBondContact O-CB 3.29Å; L864-A868 PolarHBondContact O-N 3.39Å
865	F	86.2	Confident	86.1	Confident	47 Å²	47	66.2 Å²	66.2	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-39.8	177.4	-63.7	-58.8	0	0	0	111.9	F277 F861 A862 S863 L869	F277-F865 HydrophobicContact CB-CD1 4.1Å; F277-F865 HydrophobicContact CB-CE1 4.02Å; F277-F865 HydrophobicContact CG-CE1 4.44Å; F861-F865 HydrophobicContact CD1-CE2 4.09Å; F861-F865 AromaticContact CE1-CE2 3.64Å; F861-F865 HydrophobicContact CE1-CE2 3.64Å; F861-F865 AromaticContact CE1-CZ 3.72Å; F861-F865 HydrophobicContact CE1-CZ 3.72Å; F861-F865 HydrophobicContact CZ-CE2 4.37Å; F861-F865 HydrophobicContact CZ-CZ 4.04Å; A862-F865 PolarHBondContact O-N 2.87Å; A862-F865 VanDerWaalsContact O-N 3.13Å; S863-F865 VanDerWaalsContact C-N 3.29Å; S863-F865 PolarHBondContact O-N 3.47Å; F865-L869 WeakPolarHBondContact O-CB 3.28Å; F865-L869 PolarHBondContact O-N 2.85Å
866	F	86.9	Confident	86.8	Confident	29 Å²	29	65 Å²	65	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-66.6	-47.8	176.3	-71.8	-100.9	0	0	0	110.9	F278 Y281 M855 I858 A862 S863 A868 L869 F870	F278-F866 HydrophobicContact CD2-CD1 4.48Å; F278-F866 HydrophobicContact CD2-CE1 4.42Å; F278-F866 HydrophobicContact CD2-CZ 4.42Å; F278-F866 AromaticContact CE2-CD1 3.68Å; F278-F866 HydrophobicContact CE2-CD1 3.68Å; F278-F866 HydrophobicContact CE2-CD2 4.45Å; F278-F866 AromaticContact CE2-CE1 3.41Å; F278-F866 HydrophobicContact CE2-CE1 3.41Å; F278-F866 VanDerWaalsContact CE2-CE1 3.41Å; F278-F866 HydrophobicContact CE2-CE2 4.2Å; F278-F866 HydrophobicContact CE2-CG 4.2Å; F278-F866 AromaticContact CE2-CZ 3.66Å; F278-F866 HydrophobicContact CE2-CZ 3.66Å; F278-F866 HydrophobicContact CZ-CE1 4.09Å; F278-F866 HydrophobicContact CZ-CZ 4.44Å; Y281-F866 HydrophobicContact CD1-CE2 4.34Å; Y281-F866 HydrophobicContact CE1-CE2 4.11Å; M855-F866 HydrophobicContact CE-CE1 4.37Å; M855-F866 HydrophobicContact CG-CZ 4.44Å; M855-F866 HydrophobicContact SD-CD1 4.29Å; M855-F866 HydrophobicContact SD-CE1 3.31Å; M855-F866 WeakPolarHBondContact SD-CE1 3.2Å; M855-F866 HydrophobicContact SD-CE2 4.08Å; M855-F866 HydrophobicContact SD-CZ 3.21Å; M855-F866 WeakPolarHBondContact SD-CZ 3.38Å; I858-F866 HydrophobicContact CD1-CD2 4.49Å; I858-F866 HydrophobicContact CD1-CE2 4.35Å; A862-F866 WeakPolarHBondContact O-CD2 3.46Å; S863-F866 PolarHBondContact O-N 3.3Å; F866-A868 VanDerWaalsContact C-N 3.34Å; F866-A868 PolarHBondContact O-N 3.47Å; F866-L869 WeakPolarHBondContact O-CB 3.33Å; F866-L869 PolarHBondContact O-N 2.94Å; F866-F870 WeakPolarHBondContact O-CD2 3.27Å; F866-F870 PolarHBondContact O-N 3.47Å
867	I	90.2	Very high	87.6	Confident	99 Å²	99	63.4 Å²	63.4	51%	0.508	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-45.8	178	-66.7	166.2	0	0	0	110.2	S863 L869 F870 M871	S863-I867 WeakPolarHBondContact O-CG1 3.35Å; S863-I867 PolarHBondContact O-N 2.99Å; I867-L869 VanDerWaalsContact C-N 3.29Å; I867-L869 PolarHBondContact O-N 2.86Å; I867-F870 PolarHBondContact O-N 2.94Å; I867-M871 HydrophobicContact CG2-CG 4.2Å; I867-M871 WeakPolarHBondContact O-CB 3.25Å; I867-M871 VanDerWaalsContact O-CG 3.29Å; I867-M871 WeakPolarHBondContact O-CG 3.23Å; I867-M871 PolarHBondContact O-N 3.32Å
868	A	92.3	Very high	88.6	Confident	38 Å²	38	62.4 Å²	62.4	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-41.1	176.6	0	0	0	0	0	111.6	V274 L864 F866 S872	V274-A868 HydrophobicContact CG1-CB 3.85Å; V274-A868 HydrophobicContact CG2-CB 4.29Å; L864-A868 WeakPolarHBondContact O-CB 3.29Å; L864-A868 PolarHBondContact O-N 3.39Å; F866-A868 VanDerWaalsContact C-N 3.34Å; F866-A868 PolarHBondContact O-N 3.47Å; A868-S872 VanDerWaalsContact O-CB 3.22Å; A868-S872 WeakPolarHBondContact O-CB 3.46Å; A868-S872 PolarHBondContact O-N 3.12Å; A868-S872 PolarHBondContact O-OG 3.48Å
869	L	92	Very high	89.5	Confident	23 Å²	23	60.7 Å²	60.7	12%	0.12	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-52.2	176.7	-177.1	64.2	0	0	0	110.8	V274 L275 F278 F865 F866 I867 M871 S872 I873	V274-L869 HydrophobicContact CG1-CB 4.03Å; V274-L869 HydrophobicContact CG1-CD1 4.41Å; L275-L869 HydrophobicContact CB-CD1 4.47Å; L275-L869 HydrophobicContact CD1-CD1 4.16Å; F278-L869 HydrophobicContact CD1-CD2 4.1Å; F278-L869 HydrophobicContact CD2-CD2 3.93Å; F278-L869 HydrophobicContact CE1-CD2 4.28Å; F278-L869 HydrophobicContact CE2-CD2 4.08Å; F278-L869 HydrophobicContact CG-CD2 3.94Å; F278-L869 HydrophobicContact CZ-CD2 4.26Å; F865-L869 WeakPolarHBondContact O-CB 3.28Å; F865-L869 PolarHBondContact O-N 2.85Å; F866-L869 WeakPolarHBondContact O-CB 3.33Å; F866-L869 PolarHBondContact O-N 2.94Å; I867-L869 VanDerWaalsContact C-N 3.29Å; I867-L869 PolarHBondContact O-N 2.86Å; L869-M871 PolarHBondContact O-N 3.47Å; L869-S872 PolarHBondContact O-N 3.5Å; L869-S872 PolarHBondContact O-OG 2.91Å; L869-I873 HydrophobicContact CD1-CD1 4.35Å; L869-I873 HydrophobicContact CG-CD1 4.04Å; L869-I873 VanDerWaalsContact O-CG1 3.27Å; L869-I873 WeakPolarHBondContact O-CG1 3.25Å; L869-I873 PolarHBondContact O-N 3.02Å
870	F	92	Very high	90.2	Very high	85 Å²	85	58 Å²	58	37%	0.373	30%	0.304	S	S	.	.	H	α-helix	trans	-57.7	-49.3	177.8	-80.3	-68.9	0	0	0	112.3	F866 I867 S872 I873 F874 F988	F866-F870 WeakPolarHBondContact O-CD2 3.27Å; F866-F870 PolarHBondContact O-N 3.47Å; I867-F870 PolarHBondContact O-N 2.94Å; F870-S872 VanDerWaalsContact C-N 3.29Å; F870-S872 PolarHBondContact O-N 3.34Å; F870-I873 WeakPolarHBondContact O-CB 3.42Å; F870-I873 PolarHBondContact O-N 3.1Å; F870-I873 VanDerWaalsContact O-N 3.14Å; F870-F874 HydrophobicContact CB-CE2 4.37Å; F870-F874 HydrophobicContact CD1-CE2 4.47Å; F870-F874 WeakPolarHBondContact O-CD2 3.24Å; F870-F874 PolarHBondContact O-N 3.25Å; F870-F988 HydrophobicContact CE1-CE1 4.45Å; F870-F988 HydrophobicContact CZ-CE1 4.25Å
871	M	94.3	Very high	90.7	Very high	122 Å²	122	53.1 Å²	53.1	60%	0.601	27%	0.273	S	S	*	.	H	α-helix	trans	-60.8	-39.2	178.2	-69.8	-56.5	-63.4	0	0	111.9	I867 L869 A875	I867-M871 HydrophobicContact CG2-CG 4.2Å; I867-M871 WeakPolarHBondContact O-CB 3.25Å; I867-M871 VanDerWaalsContact O-CG 3.29Å; I867-M871 WeakPolarHBondContact O-CG 3.23Å; I867-M871 PolarHBondContact O-N 3.32Å; L869-M871 PolarHBondContact O-N 3.47Å; M871-A875 VanDerWaalsContact O-CB 3.23Å; M871-A875 WeakPolarHBondContact O-CB 3.46Å; M871-A875 PolarHBondContact O-N 3.37Å
872	S	94.6	Very high	91.3	Very high	10 Å²	10	54.3 Å²	54.3	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-35.9	176.7	77.2	0	0	0	0	112.5	R271 A868 L869 F870 T876	R271-S872 WeakPolarHBondContact CG-OG 3.3Å; A868-S872 VanDerWaalsContact O-CB 3.22Å; A868-S872 WeakPolarHBondContact O-CB 3.46Å; A868-S872 PolarHBondContact O-N 3.12Å; A868-S872 PolarHBondContact O-OG 3.48Å; L869-S872 PolarHBondContact O-N 3.5Å; L869-S872 PolarHBondContact O-OG 2.91Å; F870-S872 VanDerWaalsContact C-N 3.29Å; F870-S872 PolarHBondContact O-N 3.34Å; S872-T876 WeakPolarHBondContact O-CB 3.48Å; S872-T876 PolarHBondContact O-N 3.41Å; S872-T876 PolarHBondContact O-OG1 2.87Å
873	I	93.1	Very high	91.8	Very high	55 Å²	55	55 Å²	55	28%	0.282	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-52.2	176.3	-66.1	163.6	0	0	0	109.9	L869 F870 A875 T876 G877	L869-I873 HydrophobicContact CD1-CD1 4.35Å; L869-I873 HydrophobicContact CG-CD1 4.04Å; L869-I873 VanDerWaalsContact O-CG1 3.27Å; L869-I873 WeakPolarHBondContact O-CG1 3.25Å; L869-I873 PolarHBondContact O-N 3.02Å; F870-I873 WeakPolarHBondContact O-CB 3.42Å; F870-I873 PolarHBondContact O-N 3.1Å; F870-I873 VanDerWaalsContact O-N 3.14Å; I873-A875 PolarHBondContact O-N 3.47Å; I873-T876 PolarHBondContact O-N 3.16Å; I873-G877 PolarHBondContact O-N 3.24Å
874	F	93.1	Very high	92.2	Very high	130 Å²	130	54 Å²	54	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-60.8	-45.2	178.5	-69.5	-62.1	0	0	0	111.9	F870 T876 G877 I878	F870-F874 HydrophobicContact CB-CE2 4.37Å; F870-F874 HydrophobicContact CD1-CE2 4.47Å; F870-F874 WeakPolarHBondContact O-CD2 3.24Å; F870-F874 PolarHBondContact O-N 3.25Å; F874-T876 VanDerWaalsContact C-N 3.32Å; F874-T876 PolarHBondContact O-N 2.85Å; F874-G877 PolarHBondContact O-N 3.04Å; F874-I878 VanDerWaalsContact O-CG1 3.28Å; F874-I878 WeakPolarHBondContact O-CG1 3.4Å; F874-I878 PolarHBondContact O-N 3.48Å
875	A	94.7	Very high	92.3	Very high	35 Å²	35	52.7 Å²	52.7	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-41	177.2	0	0	0	0	0	112	V267 M871 I873 L879	V267-A875 HydrophobicContact CG1-CB 4Å; M871-A875 VanDerWaalsContact O-CB 3.23Å; M871-A875 WeakPolarHBondContact O-CB 3.46Å; M871-A875 PolarHBondContact O-N 3.37Å; I873-A875 PolarHBondContact O-N 3.47Å; A875-L879 WeakPolarHBondContact O-CB 3.14Å; A875-L879 VanDerWaalsContact O-CG 3.26Å; A875-L879 WeakPolarHBondContact O-CG 3.32Å; A875-L879 PolarHBondContact O-N 3.45Å; A875-L879 VanDerWaalsContact O-N 3.07Å
876	T	93.6	Very high	92.6	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-49.3	176.1	-53.5	0	0	0	0	110.6	Y264 I268 R271 S872 I873 F874 L879 E880	Y264-T876 HydrophobicContact CD2-CG2 4.41Å; Y264-T876 HydrophobicContact CE2-CG2 3.88Å; I268-T876 HydrophobicContact CG1-CG2 4.1Å; R271-T876 WeakPolarHBondContact CD-OG1 3.29Å; S872-T876 WeakPolarHBondContact O-CB 3.48Å; S872-T876 PolarHBondContact O-N 3.41Å; S872-T876 PolarHBondContact O-OG1 2.87Å; I873-T876 PolarHBondContact O-N 3.16Å; F874-T876 VanDerWaalsContact C-N 3.32Å; F874-T876 PolarHBondContact O-N 2.85Å; T876-L879 PolarHBondContact O-N 3.39Å; T876-E880 WeakPolarHBondContact O-CB 3.49Å; T876-E880 PolarHBondContact O-N 3.45Å
877	G	92.2	Very high	92.8	Very high	5 Å²	5	52 Å²	52	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-45.1	-179.1	0	0	0	0	0	112.8	I873 F874 L879 E880 M881	I873-G877 PolarHBondContact O-N 3.24Å; F874-G877 PolarHBondContact O-N 3.04Å; G877-L879 PolarHBondContact O-N 3.45Å; G877-E880 WeakPolarHBondContact O-CB 3.34Å; G877-E880 PolarHBondContact O-N 3.1Å; G877-M881 WeakPolarHBondContact O-CE 3.33Å; G877-M881 WeakPolarHBondContact O-CG 3.33Å; G877-M881 PolarHBondContact O-N 3.21Å
878	I	94	Very high	92.8	Very high	101 Å²	101	52.8 Å²	52.8	52%	0.518	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-43.2	177.9	-67.1	166.4	0	0	0	111.3	F874 M881 R882	F874-I878 VanDerWaalsContact O-CG1 3.28Å; F874-I878 WeakPolarHBondContact O-CG1 3.4Å; F874-I878 PolarHBondContact O-N 3.48Å; I878-M881 HydrophobicContact CG1-CE 4.28Å; I878-R882 WeakPolarHBondContact O-CB 3.33Å; I878-R882 PolarHBondContact O-N 3.43Å
879	L	94.5	Very high	92.6	Very high	30 Å²	30	57.7 Å²	57.7	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-36.1	177.7	-71.3	173.3	0	0	0	112.1	P263 Y264 V267 A875 T876 G877 R882 W883	P263-L879 HydrophobicContact CB-CD1 4.25Å; P263-L879 HydrophobicContact CB-CD2 4.33Å; Y264-L879 HydrophobicContact CD2-CB 4.15Å; V267-L879 HydrophobicContact CB-CD1 4.04Å; V267-L879 HydrophobicContact CG1-CD1 4.47Å; V267-L879 HydrophobicContact CG2-CD1 3.64Å; A875-L879 WeakPolarHBondContact O-CB 3.14Å; A875-L879 VanDerWaalsContact O-CG 3.26Å; A875-L879 WeakPolarHBondContact O-CG 3.32Å; A875-L879 PolarHBondContact O-N 3.45Å; A875-L879 VanDerWaalsContact O-N 3.07Å; T876-L879 PolarHBondContact O-N 3.39Å; G877-L879 PolarHBondContact O-N 3.45Å; L879-R882 PolarHBondContact O-N 3.48Å; L879-W883 PolarHBondContact O-N 2.82Å
880	E	93.3	Very high	92.4	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-51	175.2	-166.4	177.4	-125.9	0	0	111	Y264 K315 I606 T876 G877 R882 W883 S884	Y264-E880 HydrophobicContact CD2-CB 4.36Å; Y264-E880 HydrophobicContact CE2-CB 3.78Å; Y264-E880 HydrophobicContact CE2-CG 4.1Å; Y264-E880 PolarHBondContact OH-OE1 2.94Å; K315-E880 WeakPolarHBondContact CD-OE1 3.28Å; K315-E880 IonicContact NZ-OE1 3.84Å; K315-E880 PolarHBondContact NZ-OE1 3.02Å; I606-E880 HydrophobicContact CD1-CG 4.15Å; I606-E880 HydrophobicContact CG2-CG 3.92Å; T876-E880 WeakPolarHBondContact O-CB 3.49Å; T876-E880 PolarHBondContact O-N 3.45Å; G877-E880 WeakPolarHBondContact O-CB 3.34Å; G877-E880 PolarHBondContact O-N 3.1Å; E880-R882 VanDerWaalsContact C-N 3.3Å; E880-R882 PolarHBondContact O-N 3.45Å; E880-W883 HydrophobicContact CG-CZ2 4.47Å; E880-W883 VanDerWaalsContact O-CD1 3.29Å; E880-W883 PolarHBondContact O-N 2.83Å; E880-W883 PolarHBondContact O-NE1 3.48Å; E880-S884 PolarHBondContact O-N 3.44Å; E880-S884 PolarHBondContact O-OG 3.41Å; E880-S884 VanDerWaalsContact O-OG 3.08Å
881	M	92.8	Very high	92.4	Very high	21 Å²	21	56.8 Å²	56.8	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-37.2	176	-68.5	-177.7	-70.6	0	0	112.5	G877 I878 W883 S884 G885 I888 W891	G877-M881 WeakPolarHBondContact O-CE 3.33Å; G877-M881 WeakPolarHBondContact O-CG 3.33Å; G877-M881 PolarHBondContact O-N 3.21Å; I878-M881 HydrophobicContact CG1-CE 4.28Å; M881-W883 PolarHBondContact O-N 3.1Å; M881-S884 WeakPolarHBondContact CA-OG 3.11Å; M881-S884 PolarHBondContact O-N 3.09Å; M881-S884 PolarHBondContact O-OG 3.05Å; M881-G885 PolarHBondContact O-N 3.45Å; M881-I888 HydrophobicContact CE-CB 4.43Å; M881-I888 HydrophobicContact CE-CD1 4.1Å; M881-I888 HydrophobicContact CE-CG1 4.04Å; M881-I888 VanDerWaalsContact SD-CA 3.59Å; M881-I888 HydrophobicContact SD-CB 3.99Å; M881-I888 HydrophobicContact SD-CG1 4.04Å; M881-W891 HydrophobicContact CG-CB 4.21Å; M881-W891 HydrophobicContact CG-CG 4.16Å; M881-W891 HydrophobicContact SD-CB 3.65Å; M881-W891 HydrophobicContact SD-CD2 4.26Å; M881-W891 HydrophobicContact SD-CG 3.83Å
882	R	93.6	Very high	92.2	Very high	166 Å²	166	55.4 Å²	55.4	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-64.4	-35.6	-178.7	-177.2	177.5	-178.8	175.7	1.7	113.5	I878 L879 E880	I878-R882 WeakPolarHBondContact O-CB 3.33Å; I878-R882 PolarHBondContact O-N 3.43Å; L879-R882 PolarHBondContact O-N 3.48Å; E880-R882 VanDerWaalsContact C-N 3.3Å; E880-R882 PolarHBondContact O-N 3.45Å
883	W	93	Very high	92	Very high	13 Å²	13	58 Å²	58	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-85.5	-32	179.1	74.1	-108.4	0	0	0	112.4	I256 K260 Y264 P318 I606 K609 L879 E880 M881	I256-W883 HydrophobicContact CD1-CD2 4.41Å; I256-W883 HydrophobicContact CD1-CE3 3.5Å; I256-W883 VanDerWaalsContact CD1-CE3 3.5Å; I256-W883 HydrophobicContact CD1-CZ3 3.76Å; I256-W883 HydrophobicContact CG2-CB 4.21Å; K260-W883 HydrophobicContact CB-CB 4.02Å; K260-W883 HydrophobicContact CD-CB 4.4Å; Y264-W883 AromaticContact CD1-NE1 3.77Å; Y264-W883 AromaticContact CE1-NE1 3.71Å; Y264-W883 AromaticContact CZ-NE1 3.94Å; P318-W883 HydrophobicContact CB-CE3 4.26Å; P318-W883 HydrophobicContact CB-CH2 3.58Å; P318-W883 HydrophobicContact CB-CZ2 4.17Å; P318-W883 HydrophobicContact CB-CZ3 3.63Å; P318-W883 HydrophobicContact CG-CE3 4.38Å; P318-W883 HydrophobicContact CG-CH2 4.12Å; P318-W883 HydrophobicContact CG-CZ2 4.24Å; P318-W883 HydrophobicContact CG-CZ3 4.2Å; I606-W883 HydrophobicContact CB-CH2 4.3Å; I606-W883 HydrophobicContact CG2-CH2 3.84Å; I606-W883 HydrophobicContact CG2-CZ2 3.64Å; K609-W883 HydrophobicContact CB-CZ3 4.44Å; K609-W883 HydrophobicContact CD-CZ3 4.34Å; L879-W883 PolarHBondContact O-N 2.82Å; E880-W883 HydrophobicContact CG-CZ2 4.47Å; E880-W883 VanDerWaalsContact O-CD1 3.29Å; E880-W883 PolarHBondContact O-N 2.83Å; E880-W883 PolarHBondContact O-NE1 3.48Å; M881-W883 PolarHBondContact O-N 3.1Å
884	S	91.6	Very high	91.9	Very high	15 Å²	15	56.7 Å²	56.7	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-82.1	-29.6	-178.2	65.2	0	0	0	0	114	I606 E880 M881 V886	I606-S884 VanDerWaalsContact CG1-CB 3.48Å; E880-S884 PolarHBondContact O-N 3.44Å; E880-S884 PolarHBondContact O-OG 3.41Å; E880-S884 VanDerWaalsContact O-OG 3.08Å; M881-S884 WeakPolarHBondContact CA-OG 3.11Å; M881-S884 PolarHBondContact O-N 3.09Å; M881-S884 PolarHBondContact O-OG 3.05Å; S884-V886 VanDerWaalsContact C-N 3.34Å; S884-V886 PolarHBondContact OG-N 2.96Å
885	G	91.4	Very high	91.8	Very high	71 Å²	71	53.1 Å²	53.1	73%	0.732	27%	0.273	S	S	*	.			trans	82.7	9.7	-174.4	0	0	0	0	0	114.1	M881	M881-G885 PolarHBondContact O-N 3.45Å
886	V	91.1	Very high	91.6	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.067	26%	0.261	C	S	.	.			trans	-74.3	138.1	176	177.4	0	0	0	0	110	D605 I606 S884 E890 W891	D605-V886 HydrophobicContact CB-CG2 4.16Å; I606-V886 HydrophobicContact CD1-CB 4.48Å; I606-V886 HydrophobicContact CD1-CG2 4.1Å; I606-V886 HydrophobicContact CG1-CG2 4.14Å; S884-V886 VanDerWaalsContact C-N 3.34Å; S884-V886 PolarHBondContact OG-N 2.96Å; V886-E890 HydrophobicContact CG1-CB 3.93Å; V886-W891 HydrophobicContact CG1-CB 4.47Å
887	S	91.1	Very high	91.5	Very high	51 Å²	51	52.6 Å²	52.6	36%	0.357	26%	0.264	S	S	.	.			trans	-72.7	153.7	178.8	80.2	0	0	0	0	111.5	E889 E890 W891	S887-E889 PolarHBondContact O-N 2.81Å; S887-E890 PolarHBondContact O-N 2.97Å; S887-E890 WeakPolarHBondContact OG-CB 3.18Å; S887-E890 VanDerWaalsContact OG-CG 3.32Å; S887-E890 WeakPolarHBondContact OG-CG 3.4Å; S887-E890 PolarHBondContact OG-N 3.45Å; S887-E890 VanDerWaalsContact OG-N 3.16Å; S887-W891 PolarHBondContact O-N 2.61Å
888	I	90.5	Very high	91.6	Very high	115 Å²	115	56.6 Å²	56.6	59%	0.59	28%	0.278	S	S	*	.	H	α-helix	trans	-64.2	-31.4	178.3	-166.9	159.6	0	0	0	112.6	M881 W892	M881-I888 HydrophobicContact CE-CB 4.43Å; M881-I888 HydrophobicContact CE-CD1 4.1Å; M881-I888 HydrophobicContact CE-CG1 4.04Å; M881-I888 VanDerWaalsContact SD-CA 3.59Å; M881-I888 HydrophobicContact SD-CB 3.99Å; M881-I888 HydrophobicContact SD-CG1 4.04Å; I888-W892 WeakPolarHBondContact O-CB 3.42Å; I888-W892 PolarHBondContact O-N 2.85Å
889	E	88.7	Confident	91.6	Very high	142 Å²	142	51.9 Å²	51.9	66%	0.664	25%	0.253	S	S	*	.	H	α-helix	trans	-67	-46	176.3	-62.2	-175.6	176.8	0	0	111.1	S887 W892 R893	S887-E889 PolarHBondContact O-N 2.81Å; E889-W892 PolarHBondContact O-N 3.25Å; E889-R893 VanDerWaalsContact O-CB 3.31Å; E889-R893 WeakPolarHBondContact O-CB 3.45Å; E889-R893 WeakPolarHBondContact O-CG 2.98Å; E889-R893 PolarHBondContact O-N 2.98Å
890	E	88.2	Confident	91.5	Very high	38 Å²	38	50.7 Å²	50.7	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-42.9	177.2	-74.4	-178.5	167.7	0	0	111.8	R599 T601 V886 S887 R893 N894	R599-E890 WeakPolarHBondContact CD-OE1 3.36Å; R599-E890 IonicContact CZ-OE1 2.66Å; R599-E890 IonicContact NH1-OE1 2.82Å; R599-E890 PolarHBondContact NH1-OE1 2.81Å; T601-E890 WeakPolarHBondContact CG2-OE2 3.47Å; T601-E890 PolarHBondContact OG1-OE2 2.97Å; V886-E890 HydrophobicContact CG1-CB 3.93Å; S887-E890 PolarHBondContact O-N 2.97Å; S887-E890 WeakPolarHBondContact OG-CB 3.18Å; S887-E890 VanDerWaalsContact OG-CG 3.32Å; S887-E890 WeakPolarHBondContact OG-CG 3.4Å; S887-E890 PolarHBondContact OG-N 3.45Å; S887-E890 VanDerWaalsContact OG-N 3.16Å; E890-R893 PolarHBondContact O-N 3.22Å; E890-N894 WeakPolarHBondContact O-CB 3.43Å; E890-N894 PolarHBondContact O-N 3.41Å
891	W	90.7	Very high	91.4	Very high	51 Å²	51	50.3 Å²	50.3	19%	0.193	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-49	176.1	-176.9	86.7	0	0	0	111.4	M881 V886 S887 N894 E895	M881-W891 HydrophobicContact CG-CB 4.21Å; M881-W891 HydrophobicContact CG-CG 4.16Å; M881-W891 HydrophobicContact SD-CB 3.65Å; M881-W891 HydrophobicContact SD-CD2 4.26Å; M881-W891 HydrophobicContact SD-CG 3.83Å; V886-W891 HydrophobicContact CG1-CB 4.47Å; S887-W891 PolarHBondContact O-N 2.61Å; W891-N894 WeakPolarHBondContact O-CB 3.47Å; W891-N894 PolarHBondContact O-N 3.41Å; W891-E895 HydrophobicContact CD2-CG 4.45Å; W891-E895 HydrophobicContact CE3-CG 4.47Å; W891-E895 HydrophobicContact CH2-CG 4.2Å; W891-E895 HydrophobicContact CZ2-CG 4.18Å; W891-E895 HydrophobicContact CZ3-CG 4.36Å; W891-E895 PolarHBondContact O-N 3.08Å; W891-E895 VanDerWaalsContact O-N 3.15Å
892	W	91.1	Very high	91.5	Very high	93 Å²	93	49.4 Å²	49.4	35%	0.352	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-41.1	179	-176	-106.2	0	0	0	112.7	I888 E889 N894 E895 Q896 V995 H996	I888-W892 WeakPolarHBondContact O-CB 3.42Å; I888-W892 PolarHBondContact O-N 2.85Å; E889-W892 PolarHBondContact O-N 3.25Å; W892-N894 VanDerWaalsContact C-N 3.29Å; W892-N894 PolarHBondContact O-N 2.73Å; W892-E895 PolarHBondContact O-N 2.89Å; W892-Q896 WeakPolarHBondContact O-CG 3.48Å; W892-Q896 PolarHBondContact O-N 3.03Å; W892-V995 HydrophobicContact CZ2-CG1 3.91Å; W892-H996 AromaticContact CH2-CE1 3.38Å; W892-H996 WeakPolarHBondContact CH2-CE1 3.4Å; W892-H996 AromaticContact CH2-NE2 3.57Å; W892-H996 AromaticContact CZ2-CE1 3.83Å; W892-H996 AromaticContact CZ3-NE2 3.95Å
893	R	89.5	Confident	91.5	Very high	63 Å²	63	41.5 Å²	41.5	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-40.7	175.3	-76.7	-71.5	-168.5	-129.5	-3.9	111.9	H593 A597 E889 E890 Q896 F897	H593-R893 PolarHBondContact O-NE 3.23Å; A597-R893 HydrophobicContact CB-CB 4.37Å; E889-R893 VanDerWaalsContact O-CB 3.31Å; E889-R893 WeakPolarHBondContact O-CB 3.45Å; E889-R893 WeakPolarHBondContact O-CG 2.98Å; E889-R893 PolarHBondContact O-N 2.98Å; E890-R893 PolarHBondContact O-N 3.22Å; R893-Q896 PolarHBondContact O-N 3.06Å; R893-F897 WeakPolarHBondContact O-CB 3.37Å; R893-F897 PolarHBondContact O-N 3.14Å
894	N	91.1	Very high	91.5	Very high	28 Å²	28	40.9 Å²	40.9	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-43.7	175.6	-175.7	79.2	0	0	0	111.8	V602 E890 W891 W892 F897 W898	V602-N894 HydrophobicContact CB-CB 4.41Å; V602-N894 HydrophobicContact CG2-CB 3.79Å; E890-N894 WeakPolarHBondContact O-CB 3.43Å; E890-N894 PolarHBondContact O-N 3.41Å; W891-N894 WeakPolarHBondContact O-CB 3.47Å; W891-N894 PolarHBondContact O-N 3.41Å; W892-N894 VanDerWaalsContact C-N 3.29Å; W892-N894 PolarHBondContact O-N 2.73Å; N894-F897 PolarHBondContact O-N 3.19Å; N894-W898 WeakPolarHBondContact O-CB 3.43Å; N894-W898 PolarHBondContact O-N 3.07Å
895	E	90.9	Very high	91.6	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-43.9	175.3	-67.5	-61.4	139.9	0	0	112.2	W891 W892 F897 W898 V899	W891-E895 HydrophobicContact CD2-CG 4.45Å; W891-E895 HydrophobicContact CE3-CG 4.47Å; W891-E895 HydrophobicContact CH2-CG 4.2Å; W891-E895 HydrophobicContact CZ2-CG 4.18Å; W891-E895 HydrophobicContact CZ3-CG 4.36Å; W891-E895 PolarHBondContact O-N 3.08Å; W891-E895 VanDerWaalsContact O-N 3.15Å; W892-E895 PolarHBondContact O-N 2.89Å; E895-F897 VanDerWaalsContact C-N 3.34Å; E895-F897 PolarHBondContact O-N 3.24Å; E895-W898 PolarHBondContact O-N 3.48Å; E895-V899 WeakPolarHBondContact O-CG2 3.09Å; E895-V899 PolarHBondContact O-N 3.28Å
896	Q	91.8	Very high	91.8	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-46.9	174.7	-67.3	-176	-48.4	0	0	111.4	W892 R893 V899 I900 V995 P999	W892-Q896 WeakPolarHBondContact O-CG 3.48Å; W892-Q896 PolarHBondContact O-N 3.03Å; R893-Q896 PolarHBondContact O-N 3.06Å; Q896-V899 PolarHBondContact O-N 3.05Å; Q896-I900 WeakPolarHBondContact O-CG1 3.38Å; Q896-I900 PolarHBondContact O-N 2.77Å; Q896-V995 PolarHBondContact NE2-O 3.03Å; Q896-P999 HydrophobicContact CB-CG 4.1Å; Q896-P999 VanDerWaalsContact CD-CG 3.46Å; Q896-P999 HydrophobicContact CG-CG 4.33Å
897	F	91.3	Very high	91.9	Very high	19 Å²	19	38 Å²	38	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-35.6	179.6	-171.8	-99.7	0	0	0	112.4	A597 L782 R785 V789 R893 N894 E895 V899 I900 G901	A597-F897 HydrophobicContact CB-CB 3.93Å; A597-F897 HydrophobicContact CB-CG 4.31Å; L782-F897 HydrophobicContact CD1-CE2 4.32Å; R785-F897 HydrophobicContact CG-CE2 3.89Å; R785-F897 HydrophobicContact CG-CZ 3.6Å; V789-F897 HydrophobicContact CG2-CE1 3.81Å; V789-F897 HydrophobicContact CG2-CZ 3.86Å; R893-F897 WeakPolarHBondContact O-CB 3.37Å; R893-F897 PolarHBondContact O-N 3.14Å; N894-F897 PolarHBondContact O-N 3.19Å; E895-F897 VanDerWaalsContact C-N 3.34Å; E895-F897 PolarHBondContact O-N 3.24Å; F897-V899 VanDerWaalsContact C-N 3.34Å; F897-V899 PolarHBondContact O-N 2.96Å; F897-I900 PolarHBondContact O-N 3.49Å; F897-G901 PolarHBondContact O-N 3.4Å
898	W	92.8	Very high	92	Very high	89 Å²	89	38 Å²	38	34%	0.337	17%	0.169	S	C	.	.	H	α-helix	trans	-59.8	-42.8	172.5	172.5	80.7	0	0	0	111.8	T833 L837 N894 E895 G902	T833-W898 HydrophobicContact CG2-CZ2 4.05Å; L837-W898 HydrophobicContact CD1-CH2 4.23Å; L837-W898 HydrophobicContact CD1-CZ3 4.3Å; L837-W898 HydrophobicContact CD2-CH2 4.39Å; N894-W898 WeakPolarHBondContact O-CB 3.43Å; N894-W898 PolarHBondContact O-N 3.07Å; E895-W898 PolarHBondContact O-N 3.48Å; W898-G902 WeakPolarHBondContact O-CA 3.32Å; W898-G902 PolarHBondContact O-N 3.31Å
899	V	94.4	Very high	92.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-46.2	174.9	176.6	0	0	0	0	111.5	E895 Q896 F897 G902 V903 W992 H996 L997	E895-V899 WeakPolarHBondContact O-CG2 3.09Å; E895-V899 PolarHBondContact O-N 3.28Å; Q896-V899 PolarHBondContact O-N 3.05Å; F897-V899 VanDerWaalsContact C-N 3.34Å; F897-V899 PolarHBondContact O-N 2.96Å; V899-G902 PolarHBondContact O-N 3.15Å; V899-V903 WeakPolarHBondContact O-CG2 3.32Å; V899-V903 PolarHBondContact O-N 2.95Å; V899-W992 HydrophobicContact CG2-CH2 4.42Å; V899-H996 HydrophobicContact CB-CB 4.14Å; V899-H996 HydrophobicContact CG1-CB 4.08Å; V899-H996 HydrophobicContact CG2-CB 4.19Å; V899-L997 HydrophobicContact CG1-CD2 4.5Å
900	I	91.9	Very high	92.3	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-50.2	179.2	-67.3	162.3	0	0	0	110.6	L786 Q896 F897 G902 V903 S904 L997 P999 F1000	L786-I900 HydrophobicContact CD2-CG2 4.37Å; Q896-I900 WeakPolarHBondContact O-CG1 3.38Å; Q896-I900 PolarHBondContact O-N 2.77Å; F897-I900 PolarHBondContact O-N 3.49Å; I900-G902 VanDerWaalsContact C-N 3.33Å; I900-G902 PolarHBondContact O-N 3.37Å; I900-V903 PolarHBondContact O-N 3.41Å; I900-S904 WeakPolarHBondContact O-CB 3.5Å; I900-S904 PolarHBondContact O-N 2.96Å; I900-S904 VanDerWaalsContact O-N 3.08Å; I900-S904 PolarHBondContact O-OG 3.17Å; I900-L997 HydrophobicContact CG1-CD2 3.89Å; I900-P999 HydrophobicContact CD1-CB 4.39Å; I900-F1000 HydrophobicContact CD1-CB 3.86Å; I900-F1000 HydrophobicContact CG1-CB 4.17Å
901	G	92.1	Very high	92.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-37.3	177.7	0	0	0	0	0	112.5	F897 S904 A905 H906	F897-G901 PolarHBondContact O-N 3.4Å; G901-S904 CarbonylContact O-C 3.44Å; G901-S904 PolarHBondContact O-N 3.49Å; G901-A905 PolarHBondContact O-N 3.23Å; G901-H906 PolarHBondContact O-N 3.33Å
902	G	94.3	Very high	92.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	13%	0.127	C	C	.	.	I	π-helix	trans	-60.7	-48.8	175	0	0	0	0	0	113.4	S834 W898 V899 I900 S904 H906	S834-G902 WeakPolarHBondContact CB-O 3.21Å; W898-G902 WeakPolarHBondContact O-CA 3.32Å; W898-G902 PolarHBondContact O-N 3.31Å; V899-G902 PolarHBondContact O-N 3.15Å; I900-G902 VanDerWaalsContact C-N 3.33Å; I900-G902 PolarHBondContact O-N 3.37Å; G902-S904 VanDerWaalsContact C-N 3.32Å; G902-H906 WeakPolarHBondContact CA-ND1 3.45Å
903	V	94.7	Very high	92.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-71.9	-27.4	179.5	168.1	0	0	0	0	112.4	L837 L838 V899 I900 P953 P954 L957	L837-V903 HydrophobicContact CD2-CG2 4.4Å; L837-V903 HydrophobicContact CG-CG2 4.42Å; L838-V903 HydrophobicContact CD1-CG1 4.29Å; V899-V903 WeakPolarHBondContact O-CG2 3.32Å; V899-V903 PolarHBondContact O-N 2.95Å; I900-V903 PolarHBondContact O-N 3.41Å; V903-P953 HydrophobicContact CG1-CB 3.98Å; V903-P953 WeakPolarHBondContact O-CB 3.31Å; V903-P954 HydrophobicContact CG1-CB 4.41Å; V903-P954 HydrophobicContact CG1-CG 3.93Å; V903-L957 HydrophobicContact CB-CD1 4.15Å; V903-L957 HydrophobicContact CG1-CD1 3.37Å; V903-L957 HydrophobicContact CG1-CG 4.2Å; V903-L957 HydrophobicContact CG2-CD1 3.61Å
904	S	93.1	Very high	92	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-104.6	-93.9	-177.6	58.4	0	0	0	0	112.6	I900 G901 G902 H906 L907 F908 L950	I900-S904 WeakPolarHBondContact O-CB 3.5Å; I900-S904 PolarHBondContact O-N 2.96Å; I900-S904 VanDerWaalsContact O-N 3.08Å; I900-S904 PolarHBondContact O-OG 3.17Å; G901-S904 CarbonylContact O-C 3.44Å; G901-S904 PolarHBondContact O-N 3.49Å; G902-S904 VanDerWaalsContact C-N 3.32Å; S904-H906 VanDerWaalsContact C-N 3.34Å; S904-H906 PolarHBondContact O-N 3.15Å; S904-L907 WeakPolarHBondContact O-CB 3.25Å; S904-L907 PolarHBondContact O-N 3.44Å; S904-L907 VanDerWaalsContact O-N 3.1Å; S904-F908 WeakPolarHBondContact O-CD2 3.35Å; S904-F908 PolarHBondContact O-N 3.23Å; S904-F908 VanDerWaalsContact O-N 3.09Å; S904-L950 WeakPolarHBondContact CB-O 3.39Å
905	A	93.1	Very high	91.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-53.1	-45	-170.8	0	0	0	0	0	113.2	L786 V789 L790 G901 F908 A909	L786-A905 HydrophobicContact CD2-CB 4.46Å; V789-A905 HydrophobicContact CB-CB 4.18Å; V789-A905 HydrophobicContact CG1-CB 3.9Å; L790-A905 HydrophobicContact CB-CB 4.07Å; L790-A905 WeakPolarHBondContact CD1-O 3.28Å; G901-A905 PolarHBondContact O-N 3.23Å; A905-F908 PolarHBondContact O-N 3.05Å; A905-A909 VanDerWaalsContact O-CB 3.32Å; A905-A909 WeakPolarHBondContact O-CB 3.4Å; A905-A909 PolarHBondContact O-N 3.48Å
906	H	95.3	Very high	91.4	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.056	13%	0.129	C	C	.	.	I	π-helix	trans	-67.1	-40	-179.4	-61	171.5	0	0	0	111.8	V789 Y830 P831 G901 G902 S904 A909 V910	V789-H906 VanDerWaalsContact CG1-NE2 3.28Å; V789-H906 WeakPolarHBondContact CG1-NE2 3.06Å; Y830-H906 AromaticContact CD2-CE1 3.86Å; Y830-H906 AromaticContact CE2-CE1 3.64Å; Y830-H906 AromaticContact CE2-NE2 3.56Å; P831-H906 HydrophobicContact CB-CB 4.44Å; G901-H906 PolarHBondContact O-N 3.33Å; G902-H906 WeakPolarHBondContact CA-ND1 3.45Å; S904-H906 VanDerWaalsContact C-N 3.34Å; S904-H906 PolarHBondContact O-N 3.15Å; H906-A909 PolarHBondContact O-N 3.08Å; H906-V910 WeakPolarHBondContact O-CG2 3.42Å; H906-V910 PolarHBondContact O-N 3.44Å
907	L	94.2	Very high	90.7	Very high	24 Å²	24	29.5 Å²	29.5	13%	0.126	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-49.1	177.3	-179.9	68.8	0	0	0	110.9	L835 L838 S904 A909 V910 V911 P953	L835-L907 HydrophobicContact CD2-CD1 3.77Å; L838-L907 HydrophobicContact CD2-CD1 4.03Å; L838-L907 HydrophobicContact CD2-CD2 3.72Å; S904-L907 WeakPolarHBondContact O-CB 3.25Å; S904-L907 PolarHBondContact O-N 3.44Å; S904-L907 VanDerWaalsContact O-N 3.1Å; L907-A909 VanDerWaalsContact C-N 3.35Å; L907-A909 PolarHBondContact O-N 3.45Å; L907-V910 PolarHBondContact O-N 3.49Å; L907-V911 WeakPolarHBondContact O-CG2 3.33Å; L907-V911 PolarHBondContact O-N 3.25Å; L907-V911 VanDerWaalsContact O-N 3.12Å; L907-P953 HydrophobicContact CD2-CB 4.32Å; L907-P953 HydrophobicContact CD2-CG 4.22Å
908	F	92.4	Very high	90.3	Very high	53 Å²	53	35.6 Å²	35.6	23%	0.232	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-40.3	176.5	-82.9	-84.9	0	0	0	112.1	L790 S904 A905 V910 V911 Q912 T949 L950 P953	L790-F908 HydrophobicContact CD1-CB 3.74Å; S904-F908 WeakPolarHBondContact O-CD2 3.35Å; S904-F908 PolarHBondContact O-N 3.23Å; S904-F908 VanDerWaalsContact O-N 3.09Å; A905-F908 PolarHBondContact O-N 3.05Å; F908-V910 PolarHBondContact O-N 3.07Å; F908-V911 PolarHBondContact O-N 2.9Å; F908-Q912 WeakPolarHBondContact O-CB 3.43Å; F908-Q912 VanDerWaalsContact O-CG 3.3Å; F908-Q912 WeakPolarHBondContact O-CG 3.33Å; F908-Q912 PolarHBondContact O-N 3.29Å; F908-T949 WeakPolarHBondContact CZ-O 3.41Å; F908-L950 HydrophobicContact CB-CD2 3.88Å; F908-L950 HydrophobicContact CD1-CD2 4.38Å; F908-L950 HydrophobicContact CD2-CD2 3.56Å; F908-L950 HydrophobicContact CE2-CD2 4.15Å; F908-L950 HydrophobicContact CG-CD2 3.69Å; F908-P953 HydrophobicContact CE2-CG 3.67Å; F908-P953 HydrophobicContact CZ-CG 4.35Å
909	A	92.6	Very high	89.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-41	176.3	0	0	0	0	0	112.8	L790 A793 L794 A905 H906 L907 G913	L790-A909 HydrophobicContact CD1-CB 4.01Å; A793-A909 HydrophobicContact CB-CB 3.43Å; A793-A909 VanDerWaalsContact CB-CB 3.43Å; L794-A909 HydrophobicContact CB-CB 4.28Å; A905-A909 VanDerWaalsContact O-CB 3.32Å; A905-A909 WeakPolarHBondContact O-CB 3.4Å; A905-A909 PolarHBondContact O-N 3.48Å; H906-A909 PolarHBondContact O-N 3.08Å; L907-A909 VanDerWaalsContact C-N 3.35Å; L907-A909 PolarHBondContact O-N 3.45Å; A909-G913 WeakPolarHBondContact O-CA 3.46Å; A909-G913 PolarHBondContact O-N 3Å
910	V	93.5	Very high	88.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-44.8	177.1	170.8	0	0	0	0	110.5	V797 P831 F832 L835 H906 L907 F908 L914	V797-V910 HydrophobicContact CG2-CG2 4.15Å; P831-V910 HydrophobicContact CB-CG2 3.9Å; P831-V910 WeakPolarHBondContact O-CG2 3.46Å; F832-V910 HydrophobicContact CD1-CG1 4.06Å; F832-V910 HydrophobicContact CD1-CG2 4.28Å; F832-V910 HydrophobicContact CE1-CG1 4.11Å; F832-V910 HydrophobicContact CG-CG2 4.45Å; L835-V910 HydrophobicContact CD1-CG1 4.23Å; L835-V910 HydrophobicContact CG-CG1 4.49Å; H906-V910 WeakPolarHBondContact O-CG2 3.42Å; H906-V910 PolarHBondContact O-N 3.44Å; L907-V910 PolarHBondContact O-N 3.49Å; F908-V910 PolarHBondContact O-N 3.07Å; V910-L914 HydrophobicContact CG1-CD1 3.91Å; V910-L914 HydrophobicContact CG1-CG 4.45Å; V910-L914 WeakPolarHBondContact O-CB 3.23Å; V910-L914 VanDerWaalsContact O-CG 3.23Å; V910-L914 WeakPolarHBondContact O-CG 3.15Å; V910-L914 PolarHBondContact O-N 3.07Å
911	V	90.9	Very high	87.1	Confident	71 Å²	71	41.4 Å²	41.4	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-48.2	177.2	175.1	0	0	0	0	111	L907 F908 L914 L915	L907-V911 WeakPolarHBondContact O-CG2 3.33Å; L907-V911 PolarHBondContact O-N 3.25Å; L907-V911 VanDerWaalsContact O-N 3.12Å; F908-V911 PolarHBondContact O-N 2.9Å; V911-L914 PolarHBondContact O-N 3.42Å; V911-L915 HydrophobicContact CG1-CD1 4.14Å; V911-L915 VanDerWaalsContact O-CG 3.29Å; V911-L915 WeakPolarHBondContact O-CG 3.34Å; V911-L915 PolarHBondContact O-N 3.07Å
912	Q	88.3	Confident	85.4	Confident	65 Å²	65	47.2 Å²	47.2	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-43.7	178.3	-74.7	179.5	-11.5	0	0	112.4	L794 F908 L915 K916 T923	L794-Q912 HydrophobicContact CD1-CB 4.03Å; F908-Q912 WeakPolarHBondContact O-CB 3.43Å; F908-Q912 VanDerWaalsContact O-CG 3.3Å; F908-Q912 WeakPolarHBondContact O-CG 3.33Å; F908-Q912 PolarHBondContact O-N 3.29Å; Q912-L915 PolarHBondContact O-N 3.49Å; Q912-K916 WeakPolarHBondContact O-CB 3.35Å; Q912-K916 PolarHBondContact O-N 3.13Å; Q912-T923 HydrophobicContact CB-CG2 4.42Å
913	G	85.5	Confident	83.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-41.5	178.6	0	0	0	0	0	112.2	A909 K916 V917	A909-G913 WeakPolarHBondContact O-CA 3.46Å; A909-G913 PolarHBondContact O-N 3Å; G913-K916 PolarHBondContact O-N 3.33Å; G913-V917 VanDerWaalsContact O-CG2 3.25Å; G913-V917 WeakPolarHBondContact O-CG2 3.37Å; G913-V917 PolarHBondContact O-N 2.88Å
914	L	87.1	Confident	81.2	Confident	61 Å²	61	56.7 Å²	56.7	32%	0.319	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-43	173.5	-73.5	171.5	0	0	0	111.9	F801 V910 V911 K916 V917 L918	F801-L914 HydrophobicContact CE2-CD2 3.69Å; F801-L914 HydrophobicContact CZ-CD2 3.52Å; V910-L914 HydrophobicContact CG1-CD1 3.91Å; V910-L914 HydrophobicContact CG1-CG 4.45Å; V910-L914 WeakPolarHBondContact O-CB 3.23Å; V910-L914 VanDerWaalsContact O-CG 3.23Å; V910-L914 WeakPolarHBondContact O-CG 3.15Å; V910-L914 PolarHBondContact O-N 3.07Å; V911-L914 PolarHBondContact O-N 3.42Å; L914-K916 VanDerWaalsContact C-N 3.32Å; L914-K916 PolarHBondContact O-N 3.14Å; L914-V917 PolarHBondContact O-N 3.49Å; L914-L918 VanDerWaalsContact O-CB 3.27Å; L914-L918 WeakPolarHBondContact O-CB 3.43Å; L914-L918 VanDerWaalsContact O-CG 3.25Å; L914-L918 WeakPolarHBondContact O-CG 3.48Å; L914-L918 PolarHBondContact O-N 2.87Å
915	L	86.2	Confident	78.9	Confident	94 Å²	94	60.3 Å²	60.3	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-40.3	175	-72.8	173.2	0	0	0	111.7	V911 Q912 A919	V911-L915 HydrophobicContact CG1-CD1 4.14Å; V911-L915 VanDerWaalsContact O-CG 3.29Å; V911-L915 WeakPolarHBondContact O-CG 3.34Å; V911-L915 PolarHBondContact O-N 3.07Å; Q912-L915 PolarHBondContact O-N 3.49Å; L915-A919 WeakPolarHBondContact O-CA 3.4Å; L915-A919 WeakPolarHBondContact O-CB 3.5Å; L915-A919 PolarHBondContact O-N 3.43Å
916	K	83.2	Confident	76.4	Confident	49 Å²	49	65 Å²	65	21%	0.213	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-44.9	176.2	-176.6	170.2	-178.5	178.6	0	111.8	E798 Q912 G913 L914 G920 I921 D922	E798-K916 WeakPolarHBondContact OE1-CD 3.37Å; E798-K916 WeakPolarHBondContact OE1-CE 3.5Å; E798-K916 IonicContact OE1-NZ 3.95Å; E798-K916 PolarHBondContact OE1-NZ 3.19Å; Q912-K916 WeakPolarHBondContact O-CB 3.35Å; Q912-K916 PolarHBondContact O-N 3.13Å; G913-K916 PolarHBondContact O-N 3.33Å; L914-K916 VanDerWaalsContact C-N 3.32Å; L914-K916 PolarHBondContact O-N 3.14Å; K916-G920 WeakPolarHBondContact O-CA 3.23Å; K916-G920 PolarHBondContact O-N 3.15Å; K916-I921 WeakPolarHBondContact CG-O 3.22Å; K916-D922 WeakPolarHBondContact CE-OD1 3.48Å; K916-D922 IonicContact NZ-OD1 3.68Å
917	V	78.7	Confident	73.8	Confident	71 Å²	71	65.9 Å²	65.9	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-69.8	-38.7	-179.7	172.7	0	0	0	0	112.1	F801 G913 L914	F801-V917 HydrophobicContact CB-CG1 4.12Å; F801-V917 HydrophobicContact CB-CG2 3.64Å; F801-V917 HydrophobicContact CD1-CG1 4.3Å; F801-V917 HydrophobicContact CD2-CG2 3.84Å; F801-V917 HydrophobicContact CG-CB 4.49Å; F801-V917 HydrophobicContact CG-CG1 4.12Å; F801-V917 HydrophobicContact CG-CG2 3.87Å; G913-V917 VanDerWaalsContact O-CG2 3.25Å; G913-V917 WeakPolarHBondContact O-CG2 3.37Å; G913-V917 PolarHBondContact O-N 2.88Å; L914-V917 PolarHBondContact O-N 3.49Å
918	L	82	Confident	71.3	Confident	147 Å²	147	65.4 Å²	65.4	77%	0.77	37%	0.37	S	S	*	.	H	α-helix	trans	-84.6	-36.1	-177.3	-66.2	173.3	0	0	0	113.4	L914	L914-L918 VanDerWaalsContact O-CB 3.27Å; L914-L918 WeakPolarHBondContact O-CB 3.43Å; L914-L918 VanDerWaalsContact O-CG 3.25Å; L914-L918 WeakPolarHBondContact O-CG 3.48Å; L914-L918 PolarHBondContact O-N 2.87Å
919	A	75.6	Confident	68.6	Low	60 Å²	60	65.2 Å²	65.2	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-112.7	-4.6	-173.1	0	0	0	0	0	114.1	L915 I921	L915-A919 WeakPolarHBondContact O-CA 3.4Å; L915-A919 WeakPolarHBondContact O-CB 3.5Å; L915-A919 PolarHBondContact O-N 3.43Å; A919-I921 HydrophobicContact CB-CD1 3.93Å; A919-I921 HydrophobicContact CB-CG1 3.92Å; A919-I921 PolarHBondContact O-N 3.43Å
920	G	71.6	Confident	66.5	Low	55 Å²	55	67.4 Å²	67.4	57%	0.567	39%	0.385	S	S	*	.			trans	66.4	15.3	-178.9	0	0	0	0	0	114.4	K916 D922	K916-G920 WeakPolarHBondContact O-CA 3.23Å; K916-G920 PolarHBondContact O-N 3.15Å; G920-D922 PolarHBondContact O-N 3.28Å
921	I	64	Low	63.8	Low	104 Å²	104	69.7 Å²	69.7	53%	0.533	40%	0.403	S	S	.	.			trans	-76.7	108.9	-178	-59.5	172	0	0	0	108.9	K916 A919 T923	K916-I921 WeakPolarHBondContact CG-O 3.22Å; A919-I921 HydrophobicContact CB-CD1 3.93Å; A919-I921 HydrophobicContact CB-CG1 3.92Å; A919-I921 PolarHBondContact O-N 3.43Å; I921-T923 PolarHBondContact O-N 3.09Å
922	D	58.1	Low	61.5	Low	122 Å²	122	70.4 Å²	70.4	65%	0.652	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-67.6	125.2	173.6	-80.9	-39.7	0	0	0	111.3	K916 G920	K916-D922 WeakPolarHBondContact CE-OD1 3.48Å; K916-D922 IonicContact NZ-OD1 3.68Å; G920-D922 PolarHBondContact O-N 3.28Å
923	T	53.6	Low	59	Low	37 Å²	37	69 Å²	69	23%	0.227	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-82.4	119.8	175.6	53.2	0	0	0	0	110.1	Q912 I921 F925	Q912-T923 HydrophobicContact CB-CG2 4.42Å; I921-T923 PolarHBondContact O-N 3.09Å; T923-F925 PolarHBondContact O-N 2.73Å
924	N	47	Very low	56.7	Low	164 Å²	164	76 Å²	76	88%	0.877	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-63.2	133.2	172.3	-78.5	-25	0	0	0	110.8
925	F	43.2	Very low	54.9	Low	76 Å²	76	81.4 Å²	81.4	33%	0.333	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-96.2	130.9	-175.6	166.7	-92.8	0	0	0	110.5	I747 R791 T923 V927	I747-F925 HydrophobicContact CG2-CD2 4.5Å; I747-F925 HydrophobicContact CG2-CE2 4.44Å; R791-F925 VanDerWaalsContact CD-CE2 3.47Å; T923-F925 PolarHBondContact O-N 2.73Å; F925-V927 HydrophobicContact CD1-CG2 4.27Å; F925-V927 HydrophobicContact CE1-CG2 3.45Å; F925-V927 VanDerWaalsContact CE1-CG2 3.45Å; F925-V927 HydrophobicContact CZ-CG2 4.15Å
926	T	41.8	Very low	52.9	Low	97 Å²	97	84.3 Å²	84.3	60%	0.595	49%	0.488	S	S	*	.			trans	-109.4	126.6	171.6	46.8	0	0	0	0	110.1
927	V	39.4	Very low	51.3	Low	31 Å²	31	87.5 Å²	87.5	19%	0.188	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-73.2	126.2	169	179	0	0	0	0	107.5	V351 K355 F925 S929	V351-V927 HydrophobicContact CG1-CG2 4.41Å; K355-V927 HydrophobicContact CD-CB 3.91Å; K355-V927 HydrophobicContact CD-CG1 4.23Å; F925-V927 HydrophobicContact CD1-CG2 4.27Å; F925-V927 HydrophobicContact CE1-CG2 3.45Å; F925-V927 VanDerWaalsContact CE1-CG2 3.45Å; F925-V927 HydrophobicContact CZ-CG2 4.15Å; V927-S929 PolarHBondContact O-N 2.71Å
928	T	43.3	Very low	49.9	Very low	14 Å²	14	91.6 Å²	91.6	9%	0.086	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-71.4	123.1	174.4	45.5	0	0	0	0	109.2	D784 N787 R791 K930	D784-T928 HydrophobicContact CB-CG2 4.35Å; N787-T928 HydrophobicContact CB-CG2 3.85Å; R791-T928 PolarHBondContact NH2-OG1 2.87Å; T928-K930 PolarHBondContact O-N 3.12Å
929	S	35.6	Very low	48.4	Very low	50 Å²	50	88.5 Å²	88.5	35%	0.35	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-60.9	129.8	174.7	53.1	0	0	0	0	110.1	V927	V927-S929 PolarHBondContact O-N 2.71Å
930	K	48.1	Very low	46.9	Very low	46 Å²	46	87.3 Å²	87.3	20%	0.2	49%	0.493	C	S	.	.			trans	-112.5	53.7	171.8	-65.6	-170.1	178.4	-167	0	109.9	D553 S777 T928 T932	D553-K930 HydrophobicContact CB-CD 4.49Å; D553-K930 WeakPolarHBondContact OD2-CD 3.4Å; D553-K930 WeakPolarHBondContact OD2-CE 3.45Å; D553-K930 IonicContact OD2-NZ 2.83Å; D553-K930 PolarHBondContact OD2-NZ 3.26Å; S777-K930 PolarHBondContact O-NZ 3.1Å; T928-K930 PolarHBondContact O-N 3.12Å; K930-T932 PolarHBondContact O-N 3.03Å
931	A	36.3	Very low	46	Very low	48 Å²	48	88.6 Å²	88.6	40%	0.397	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-63.9	130	172.7	0	0	0	0	0	108.8
932	T	43.4	Very low	45.2	Very low	86 Å²	86	84.1 Å²	84.1	53%	0.528	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-77	116	161	46	0	0	0	0	106.1	K930	K930-T932 PolarHBondContact O-N 3.03Å
933	G	35.2	Very low	44.8	Very low	35 Å²	35	82 Å²	82	36%	0.361	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-57	149.8	-177	0	0	0	0	0	113.1
934	D	37.5	Very low	44.6	Very low	148 Å²	148	82.4 Å²	82.4	79%	0.791	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-59	153.7	173.9	-68.8	-39.1	0	0	0	111.7	D936	D934-D936 PolarHBondContact O-N 3.34Å
935	E	49.2	Very low	45	Very low	175 Å²	175	77.6 Å²	77.6	82%	0.818	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	3.1	-161.8	-65.4	178.9	164.8	0	0	116.6	K453	K453-E935 IonicContact NZ-OE1 3.58Å
936	D	44.1	Very low	45.9	Very low	156 Å²	156	79 Å²	79	83%	0.834	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.8	-166.5	-71.4	-25	0	0	0	117.1	D934	D934-D936 PolarHBondContact O-N 3.34Å
937	D	48.9	Very low	47.1	Very low	116 Å²	116	81.7 Å²	81.7	62%	0.62	43%	0.428	S	S	*	.			trans	-170.5	103.2	162.2	-134.3	-17.1	0	0	0	109.3	F939 A940	D937-F939 PolarHBondContact O-N 2.98Å; D937-A940 HydrophobicContact CB-CB 3.69Å; D937-A940 PolarHBondContact O-N 3.22Å
938	E	50.8	Low	48.8	Very low	157 Å²	157	81.8 Å²	81.8	73%	0.734	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-12.4	-169.7	-155.1	175	-177.3	0	0	114.5
939	F	50.2	Low	50.8	Low	81 Å²	81	85.4 Å²	85.4	36%	0.355	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	0.9	177.7	-58.4	-77.7	0	0	0	115.2	D937 E941 L942 Y943	D937-F939 PolarHBondContact O-N 2.98Å; F939-E941 VanDerWaalsContact C-N 3.31Å; F939-E941 PolarHBondContact O-N 3.31Å; F939-L942 HydrophobicContact CB-CB 4.33Å; F939-L942 HydrophobicContact CD1-CD1 4.02Å; F939-L942 WeakPolarHBondContact O-CA 3.47Å; F939-L942 WeakPolarHBondContact O-CB 3.49Å; F939-L942 PolarHBondContact O-N 3.38Å; F939-Y943 HydrophobicContact CB-CE2 4.11Å; F939-Y943 WeakPolarHBondContact O-CD2 3.34Å; F939-Y943 WeakPolarHBondContact O-CE2 3.32Å
940	A	44.3	Very low	53.2	Low	36 Å²	36	83.3 Å²	83.3	30%	0.298	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.3	-177.3	0	0	0	0	0	112.4	D937 L942 Y943 A944	D937-A940 HydrophobicContact CB-CB 3.69Å; D937-A940 PolarHBondContact O-N 3.22Å; A940-L942 VanDerWaalsContact C-N 3.28Å; A940-L942 PolarHBondContact O-N 3.35Å; A940-Y943 PolarHBondContact O-N 2.97Å; A940-A944 PolarHBondContact O-N 3.5Å
941	E	52.4	Low	55	Low	82 Å²	82	81.1 Å²	81.1	38%	0.383	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-69.1	-24.7	175.4	-66.1	-163.4	153	0	0	113.3	F939 Y943 A944	F939-E941 VanDerWaalsContact C-N 3.31Å; F939-E941 PolarHBondContact O-N 3.31Å; E941-Y943 PolarHBondContact O-N 3.45Å; E941-Y943 VanDerWaalsContact O-N 3.17Å; E941-A944 VanDerWaalsContact O-CB 3.28Å; E941-A944 WeakPolarHBondContact O-CB 3.31Å; E941-A944 PolarHBondContact O-N 2.8Å
942	L	47.3	Very low	57.5	Low	10 Å²	10	82.6 Å²	82.6	5%	0.052	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.6	174.3	-138.9	111.7	0	0	0	112	D591 Y596 I780 F939 A940	D591-L942 HydrophobicContact CB-CD2 3.97Å; Y596-L942 PolarHBondContact OH-O 3.02Å; I780-L942 HydrophobicContact CG2-CB 4.01Å; I780-L942 HydrophobicContact CG2-CD1 3.38Å; I780-L942 HydrophobicContact CG2-CG 3.92Å; I780-L942 WeakPolarHBondContact O-CG 3.35Å; F939-L942 HydrophobicContact CB-CB 4.33Å; F939-L942 HydrophobicContact CD1-CD1 4.02Å; F939-L942 WeakPolarHBondContact O-CA 3.47Å; F939-L942 WeakPolarHBondContact O-CB 3.49Å; F939-L942 PolarHBondContact O-N 3.38Å; A940-L942 VanDerWaalsContact C-N 3.28Å; A940-L942 PolarHBondContact O-N 3.35Å
943	Y	48.5	Very low	59.8	Low	77 Å²	77	79.5 Å²	79.5	30%	0.302	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-99.1	-0.7	176.2	-58.5	-76.6	0	0	0	113.7	F939 A940 E941 F945	F939-Y943 HydrophobicContact CB-CE2 4.11Å; F939-Y943 WeakPolarHBondContact O-CD2 3.34Å; F939-Y943 WeakPolarHBondContact O-CE2 3.32Å; A940-Y943 PolarHBondContact O-N 2.97Å; E941-Y943 PolarHBondContact O-N 3.45Å; E941-Y943 VanDerWaalsContact O-N 3.17Å; Y943-F945 VanDerWaalsContact C-N 3.34Å; Y943-F945 PolarHBondContact O-N 3.18Å
944	A	49.9	Very low	62.5	Low	45 Å²	45	77.9 Å²	77.9	37%	0.372	39%	0.391	S	S	.	.			trans	-70	92.2	175.8	0	0	0	0	0	109.6	A940 E941 K946	A940-A944 PolarHBondContact O-N 3.5Å; E941-A944 VanDerWaalsContact O-CB 3.28Å; E941-A944 WeakPolarHBondContact O-CB 3.31Å; E941-A944 PolarHBondContact O-N 2.8Å; A944-K946 PolarHBondContact O-N 3.13Å
945	F	55.2	Low	65	Low	63 Å²	63	71.7 Å²	71.7	28%	0.276	36%	0.358	S	S	.	.			trans	-80.1	106.6	178.2	-177.3	-83.4	0	0	0	109.5	Y943 W947 L951 L1004	Y943-F945 VanDerWaalsContact C-N 3.34Å; Y943-F945 PolarHBondContact O-N 3.18Å; F945-W947 HydrophobicContact CE1-CB 3.93Å; F945-W947 HydrophobicContact CE1-CD2 4.24Å; F945-W947 AromaticContact CE1-CE3 3.5Å; F945-W947 HydrophobicContact CE1-CE3 3.5Å; F945-W947 HydrophobicContact CE1-CG 4.47Å; F945-W947 HydrophobicContact CE1-CZ3 4.34Å; F945-W947 AromaticContact CZ-CE3 3.74Å; F945-W947 HydrophobicContact CZ-CE3 3.74Å; F945-W947 HydrophobicContact CZ-CZ3 4.19Å; F945-L951 HydrophobicContact CE1-CD1 4.01Å; F945-L951 HydrophobicContact CE2-CD1 3.49Å; F945-L951 VanDerWaalsContact CE2-CD1 3.49Å; F945-L951 HydrophobicContact CZ-CD1 3.13Å; F945-L1004 HydrophobicContact CD2-CD2 4.44Å; F945-L1004 HydrophobicContact CE1-CD2 4.2Å; F945-L1004 HydrophobicContact CE2-CB 4.49Å; F945-L1004 HydrophobicContact CE2-CD2 3.4Å; F945-L1004 VanDerWaalsContact CE2-CD2 3.4Å; F945-L1004 HydrophobicContact CE2-CG 3.92Å; F945-L1004 HydrophobicContact CZ-CD2 3.24Å; F945-L1004 HydrophobicContact CZ-CG 4.26Å
946	K	63	Low	67	Low	106 Å²	106	67.1 Å²	67.1	46%	0.461	34%	0.343	S	S	.	.			trans	-91.1	108.1	170.8	-66.2	178.6	-176.2	170.1	0	108.7	S783 A944 T948	S783-K946 PolarHBondContact OG-O 3.34Å; A944-K946 PolarHBondContact O-N 3.13Å; K946-T948 PolarHBondContact O-N 3.41Å
947	W	67.3	Low	69.4	Low	154 Å²	154	60 Å²	60	58%	0.583	31%	0.305	S	S	*	.			trans	-61.1	124.5	176.5	-173.4	-90.8	0	0	0	109.9	F945 I952 T955 L1004	F945-W947 HydrophobicContact CE1-CB 3.93Å; F945-W947 HydrophobicContact CE1-CD2 4.24Å; F945-W947 AromaticContact CE1-CE3 3.5Å; F945-W947 HydrophobicContact CE1-CE3 3.5Å; F945-W947 HydrophobicContact CE1-CG 4.47Å; F945-W947 HydrophobicContact CE1-CZ3 4.34Å; F945-W947 AromaticContact CZ-CE3 3.74Å; F945-W947 HydrophobicContact CZ-CE3 3.74Å; F945-W947 HydrophobicContact CZ-CZ3 4.19Å; W947-I952 HydrophobicContact CZ2-CG1 4.36Å; W947-T955 HydrophobicContact CH2-CG2 3.94Å; W947-T955 HydrophobicContact CZ3-CG2 4.29Å; W947-L1004 HydrophobicContact CZ3-CD2 3.94Å
948	T	74.9	Confident	71.4	Confident	32 Å²	32	54.8 Å²	54.8	20%	0.196	28%	0.277	C	S	.	.			trans	-131.9	156.6	177.9	58.1	0	0	0	0	109.7	K946 L950 L951	K946-T948 PolarHBondContact O-N 3.41Å; T948-L950 PolarHBondContact O-N 3.02Å; T948-L950 VanDerWaalsContact O-N 3.13Å; T948-L951 WeakPolarHBondContact O-CB 3.32Å; T948-L951 PolarHBondContact O-N 3.38Å
949	T	84.3	Confident	73.3	Confident	90 Å²	90	52 Å²	52	55%	0.552	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.4	-25.1	176.3	49.2	0	0	0	0	112.8	F908 L951 I952	F908-T949 WeakPolarHBondContact CZ-O 3.41Å; T949-L951 PolarHBondContact O-N 2.83Å; T949-L951 VanDerWaalsContact O-N 3.14Å; T949-I952 HydrophobicContact CG2-CD1 4.31Å; T949-I952 WeakPolarHBondContact O-CB 3.2Å; T949-I952 WeakPolarHBondContact O-CG1 3.37Å; T949-I952 PolarHBondContact O-N 3.24Å
950	L	85.6	Confident	75.4	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-58.8	-23.7	175.1	-60.6	179.2	0	0	0	113.2	L786 L790 S904 F908 T948 P954	L786-L950 HydrophobicContact CB-CD1 4.12Å; L790-L950 HydrophobicContact CD1-CD2 4.25Å; L790-L950 HydrophobicContact CD2-CD1 4.28Å; L790-L950 HydrophobicContact CD2-CD2 4.17Å; S904-L950 WeakPolarHBondContact CB-O 3.39Å; F908-L950 HydrophobicContact CB-CD2 3.88Å; F908-L950 HydrophobicContact CD1-CD2 4.38Å; F908-L950 HydrophobicContact CD2-CD2 3.56Å; F908-L950 HydrophobicContact CE2-CD2 4.15Å; F908-L950 HydrophobicContact CG-CD2 3.69Å; T948-L950 PolarHBondContact O-N 3.02Å; T948-L950 VanDerWaalsContact O-N 3.13Å; L950-P954 WeakPolarHBondContact O-CD 3.48Å
951	L	86	Confident	77.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-89.3	-8.5	-176.2	-56	-175	0	0	0	113.3	L786 F945 T948 T949 T955 F1000	L786-L951 HydrophobicContact CD1-CD2 3.32Å; F945-L951 HydrophobicContact CE1-CD1 4.01Å; F945-L951 HydrophobicContact CE2-CD1 3.49Å; F945-L951 VanDerWaalsContact CE2-CD1 3.49Å; F945-L951 HydrophobicContact CZ-CD1 3.13Å; T948-L951 WeakPolarHBondContact O-CB 3.32Å; T948-L951 PolarHBondContact O-N 3.38Å; T949-L951 PolarHBondContact O-N 2.83Å; T949-L951 VanDerWaalsContact O-N 3.14Å; L951-T955 WeakPolarHBondContact O-CB 3.35Å; L951-T955 WeakPolarHBondContact O-CG2 3.49Å; L951-T955 PolarHBondContact O-N 3.26Å; L951-T955 VanDerWaalsContact O-N 3.12Å; L951-T955 PolarHBondContact O-OG1 2.95Å; L951-F1000 HydrophobicContact CB-CE2 4.28Å; L951-F1000 HydrophobicContact CB-CZ 4.06Å; L951-F1000 HydrophobicContact CD1-CE2 4.31Å; L951-F1000 HydrophobicContact CD2-CD2 4.47Å; L951-F1000 HydrophobicContact CD2-CE2 3.57Å; L951-F1000 HydrophobicContact CD2-CZ 4.14Å; L951-F1000 HydrophobicContact CG-CE2 4.26Å
952	I	89.8	Confident	79.5	Confident	79 Å²	79	48 Å²	48	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-47.4	-179.9	-61.1	170.2	0	0	0	111.9	W947 T949 T955 T956	W947-I952 HydrophobicContact CZ2-CG1 4.36Å; T949-I952 HydrophobicContact CG2-CD1 4.31Å; T949-I952 WeakPolarHBondContact O-CB 3.2Å; T949-I952 WeakPolarHBondContact O-CG1 3.37Å; T949-I952 PolarHBondContact O-N 3.24Å; I952-T955 WeakPolarHBondContact CA-OG1 3.49Å; I952-T955 PolarHBondContact O-OG1 3.34Å; I952-T956 VanDerWaalsContact O-CB 3.31Å; I952-T956 WeakPolarHBondContact O-CB 3.38Å; I952-T956 PolarHBondContact O-N 3.16Å; I952-T956 PolarHBondContact O-OG1 2.9Å
953	P	92	Very high	81.5	Confident	22 Å²	22	52 Å²	52	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-46.8	-179.5	-17.1	29.6	0	0	0	113.6	V903 L907 F908 T955 T956 L957	V903-P953 HydrophobicContact CG1-CB 3.98Å; V903-P953 WeakPolarHBondContact O-CB 3.31Å; L907-P953 HydrophobicContact CD2-CB 4.32Å; L907-P953 HydrophobicContact CD2-CG 4.22Å; F908-P953 HydrophobicContact CE2-CG 3.67Å; F908-P953 HydrophobicContact CZ-CG 4.35Å; P953-T955 PolarHBondContact O-N 3.02Å; P953-T956 PolarHBondContact O-N 3.11Å; P953-L957 PolarHBondContact O-N 3.4Å
954	P	91.6	Very high	83.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-40.4	175.5	-25.4	34.7	0	0	0	113.8	V903 L950 L958 L997 F1000	V903-P954 HydrophobicContact CG1-CB 4.41Å; V903-P954 HydrophobicContact CG1-CG 3.93Å; L950-P954 WeakPolarHBondContact O-CD 3.48Å; P954-L958 WeakPolarHBondContact O-CB 3.45Å; P954-L958 PolarHBondContact O-N 3.23Å; P954-L997 HydrophobicContact CB-CD2 4.48Å; P954-F1000 HydrophobicContact CB-CD1 3.75Å; P954-F1000 HydrophobicContact CB-CE1 3.49Å; P954-F1000 VanDerWaalsContact CB-CE1 3.49Å; P954-F1000 HydrophobicContact CB-CG 4.4Å; P954-F1000 HydrophobicContact CB-CZ 3.97Å
955	T	89	Confident	85.3	Confident	18 Å²	18	46.8 Å²	46.8	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-43.7	176.3	43.5	0	0	0	0	111.5	W947 L951 I952 P953 L958 I959 F1000 L1004	W947-T955 HydrophobicContact CH2-CG2 3.94Å; W947-T955 HydrophobicContact CZ3-CG2 4.29Å; L951-T955 WeakPolarHBondContact O-CB 3.35Å; L951-T955 WeakPolarHBondContact O-CG2 3.49Å; L951-T955 PolarHBondContact O-N 3.26Å; L951-T955 VanDerWaalsContact O-N 3.12Å; L951-T955 PolarHBondContact O-OG1 2.95Å; I952-T955 WeakPolarHBondContact CA-OG1 3.49Å; I952-T955 PolarHBondContact O-OG1 3.34Å; P953-T955 PolarHBondContact O-N 3.02Å; T955-L958 PolarHBondContact O-N 3.07Å; T955-I959 VanDerWaalsContact O-CG1 3.25Å; T955-I959 WeakPolarHBondContact O-CG1 3.47Å; T955-I959 PolarHBondContact O-N 3.44Å; T955-F1000 HydrophobicContact CG2-CE1 3.67Å; T955-F1000 HydrophobicContact CG2-CZ 3.69Å; T955-L1004 HydrophobicContact CG2-CD1 3.78Å; T955-L1004 HydrophobicContact CG2-CD2 4.17Å
956	T	92.6	Very high	86.7	Confident	79 Å²	79	44.9 Å²	44.9	49%	0.485	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-43.7	-179.8	-57.8	0	0	0	0	111.2	I952 P953 L958 I959 I960	I952-T956 VanDerWaalsContact O-CB 3.31Å; I952-T956 WeakPolarHBondContact O-CB 3.38Å; I952-T956 PolarHBondContact O-N 3.16Å; I952-T956 PolarHBondContact O-OG1 2.9Å; P953-T956 PolarHBondContact O-N 3.11Å; T956-L958 VanDerWaalsContact C-N 3.33Å; T956-L958 PolarHBondContact O-N 3.44Å; T956-I959 PolarHBondContact O-N 2.9Å; T956-I960 WeakPolarHBondContact O-CB 3.36Å; T956-I960 WeakPolarHBondContact O-CG2 3.35Å; T956-I960 PolarHBondContact O-N 3.1Å
957	L	94.1	Very high	87.7	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-40	174.2	-79.8	-170.3	0	0	0	112.8	L838 C841 T842 V903 P953 I960 N961 L997	L838-L957 HydrophobicContact CD1-CD1 3.97Å; L838-L957 HydrophobicContact CD1-CD2 4.19Å; L838-L957 HydrophobicContact CD1-CG 4.16Å; C841-L957 HydrophobicContact CB-CD1 3.82Å; T842-L957 VanDerWaalsContact OG1-CD2 3.24Å; T842-L957 WeakPolarHBondContact OG1-CD2 3.18Å; V903-L957 HydrophobicContact CB-CD1 4.15Å; V903-L957 HydrophobicContact CG1-CD1 3.37Å; V903-L957 HydrophobicContact CG1-CG 4.2Å; V903-L957 HydrophobicContact CG2-CD1 3.61Å; P953-L957 PolarHBondContact O-N 3.4Å; L957-I960 WeakPolarHBondContact O-CG2 3.24Å; L957-N961 WeakPolarHBondContact O-CB 3.44Å; L957-N961 PolarHBondContact O-N 3.14Å; L957-N961 VanDerWaalsContact O-N 3.11Å; L957-N961 PolarHBondContact O-ND2 3.32Å; L957-L997 HydrophobicContact CB-CD1 4.06Å
958	L	91.1	Very high	88.5	Confident	7 Å²	7	34.4 Å²	34.4	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-48.9	178.2	-175.9	64.4	0	0	0	110.5	P954 T955 T956 N961 I962 I994 L997 L1001	P954-L958 WeakPolarHBondContact O-CB 3.45Å; P954-L958 PolarHBondContact O-N 3.23Å; T955-L958 PolarHBondContact O-N 3.07Å; T956-L958 VanDerWaalsContact C-N 3.33Å; T956-L958 PolarHBondContact O-N 3.44Å; L958-N961 PolarHBondContact O-N 2.87Å; L958-I962 HydrophobicContact CD1-CD1 4.03Å; L958-I962 HydrophobicContact CG-CD1 3.89Å; L958-I962 WeakPolarHBondContact O-CB 3.29Å; L958-I962 VanDerWaalsContact O-CG1 3.23Å; L958-I962 WeakPolarHBondContact O-CG1 3.47Å; L958-I962 PolarHBondContact O-N 2.88Å; L958-I994 HydrophobicContact CD1-CG1 4.39Å; L958-I994 HydrophobicContact CD1-CG2 4.25Å; L958-L997 HydrophobicContact CB-CD1 4.29Å; L958-L997 HydrophobicContact CD1-CB 4.22Å; L958-L1001 HydrophobicContact CD2-CB 3.89Å; L958-L1001 HydrophobicContact CD2-CD1 3.86Å; L958-L1001 HydrophobicContact CD2-CD2 4.31Å; L958-L1001 HydrophobicContact CD2-CG 4.22Å
959	I	90.9	Very high	88.9	Confident	98 Å²	98	35.9 Å²	35.9	50%	0.503	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-48.7	-179.9	-67.6	165.4	0	0	0	110.8	T955 T956 N961 I962 I963	T955-I959 VanDerWaalsContact O-CG1 3.25Å; T955-I959 WeakPolarHBondContact O-CG1 3.47Å; T955-I959 PolarHBondContact O-N 3.44Å; T956-I959 PolarHBondContact O-N 2.9Å; I959-N961 VanDerWaalsContact C-N 3.34Å; I959-N961 PolarHBondContact O-N 3.36Å; I959-I962 PolarHBondContact O-N 3.4Å; I959-I963 HydrophobicContact CG2-CD1 3.6Å; I959-I963 HydrophobicContact CG2-CG1 4.29Å; I959-I963 WeakPolarHBondContact O-CB 3.4Å; I959-I963 VanDerWaalsContact O-CG1 3.29Å; I959-I963 WeakPolarHBondContact O-CG1 3.41Å; I959-I963 PolarHBondContact O-N 2.95Å
960	I	93.9	Very high	88.8	Confident	53 Å²	53	31.8 Å²	31.8	27%	0.272	18%	0.177	S	C	.	.	H	α-helix	trans	-66	-35.7	-177.4	-158.8	177.2	0	0	0	112.2	A845 L849 T956 L957 G964	A845-I960 HydrophobicContact CB-CB 4.49Å; A845-I960 HydrophobicContact CB-CG1 4.1Å; A845-I960 HydrophobicContact CB-CG2 3.99Å; L849-I960 HydrophobicContact CD1-CG1 4.44Å; T956-I960 WeakPolarHBondContact O-CB 3.36Å; T956-I960 WeakPolarHBondContact O-CG2 3.35Å; T956-I960 PolarHBondContact O-N 3.1Å; L957-I960 WeakPolarHBondContact O-CG2 3.24Å; I960-G964 PolarHBondContact O-N 3.23Å
961	N	92.8	Very high	88.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.4	-39.2	175.1	-84.8	-81.1	0	0	0	111.7	C841 L957 L958 I959 G964 V965 I994	C841-N961 PolarHBondContact O-ND2 3.43Å; C841-N961 VanDerWaalsContact O-ND2 3.09Å; L957-N961 WeakPolarHBondContact O-CB 3.44Å; L957-N961 PolarHBondContact O-N 3.14Å; L957-N961 VanDerWaalsContact O-N 3.11Å; L957-N961 PolarHBondContact O-ND2 3.32Å; L958-N961 PolarHBondContact O-N 2.87Å; I959-N961 VanDerWaalsContact C-N 3.34Å; I959-N961 PolarHBondContact O-N 3.36Å; N961-G964 PolarHBondContact O-N 3.17Å; N961-V965 VanDerWaalsContact O-CG2 3.3Å; N961-V965 WeakPolarHBondContact O-CG2 3.36Å; N961-V965 PolarHBondContact O-N 3.14Å; N961-I994 HydrophobicContact CB-CD1 4.26Å; N961-I994 HydrophobicContact CB-CG1 4.05Å
962	I	88.9	Confident	88.1	Confident	62 Å²	62	35.4 Å²	35.4	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-62.9	-48.1	174.6	-69.6	168.6	0	0	0	110.5	L958 I959 G964 V965 V966 I994	L958-I962 HydrophobicContact CD1-CD1 4.03Å; L958-I962 HydrophobicContact CG-CD1 3.89Å; L958-I962 WeakPolarHBondContact O-CB 3.29Å; L958-I962 VanDerWaalsContact O-CG1 3.23Å; L958-I962 WeakPolarHBondContact O-CG1 3.47Å; L958-I962 PolarHBondContact O-N 2.88Å; I959-I962 PolarHBondContact O-N 3.4Å; I962-G964 VanDerWaalsContact C-N 3.31Å; I962-G964 PolarHBondContact O-N 2.94Å; I962-V965 PolarHBondContact O-N 3.29Å; I962-V966 WeakPolarHBondContact O-CG2 3.31Å; I962-V966 PolarHBondContact O-N 3.25Å; I962-I994 HydrophobicContact CG1-CD1 4.13Å
963	I	89.6	Confident	87.6	Confident	94 Å²	94	35.4 Å²	35.4	48%	0.482	20%	0.197	S	C	.	.	H	α-helix	trans	-59.5	-44.4	175.8	-67.2	170.5	0	0	0	110.3	L849 I959 V965 V966 A967	L849-I963 HydrophobicContact CD2-CG2 4.41Å; I959-I963 HydrophobicContact CG2-CD1 3.6Å; I959-I963 HydrophobicContact CG2-CG1 4.29Å; I959-I963 WeakPolarHBondContact O-CB 3.4Å; I959-I963 VanDerWaalsContact O-CG1 3.29Å; I959-I963 WeakPolarHBondContact O-CG1 3.41Å; I959-I963 PolarHBondContact O-N 2.95Å; I963-V965 PolarHBondContact O-N 3.46Å; I963-V966 PolarHBondContact O-N 2.92Å; I963-A967 VanDerWaalsContact O-CB 3.3Å; I963-A967 WeakPolarHBondContact O-CB 3.25Å; I963-A967 PolarHBondContact O-N 3.46Å
964	G	89.3	Confident	86.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-45.1	175.8	0	0	0	0	0	112.5	L848 I960 N961 I962 A967 G968	L848-G964 VanDerWaalsContact CB-O 3.31Å; L848-G964 WeakPolarHBondContact CB-O 3.19Å; I960-G964 PolarHBondContact O-N 3.23Å; N961-G964 PolarHBondContact O-N 3.17Å; I962-G964 VanDerWaalsContact C-N 3.31Å; I962-G964 PolarHBondContact O-N 2.94Å; G964-A967 PolarHBondContact O-N 3.05Å; G964-G968 PolarHBondContact O-N 3.46Å
965	V	88.9	Confident	86	Confident	13 Å²	13	41.5 Å²	41.5	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-47.5	177.1	166.9	0	0	0	0	111.2	L848 N961 I962 I963 G968 I969 L987 A990 F991 I994	L848-V965 HydrophobicContact CD1-CG2 4.08Å; N961-V965 VanDerWaalsContact O-CG2 3.3Å; N961-V965 WeakPolarHBondContact O-CG2 3.36Å; N961-V965 PolarHBondContact O-N 3.14Å; I962-V965 PolarHBondContact O-N 3.29Å; I963-V965 PolarHBondContact O-N 3.46Å; V965-G968 PolarHBondContact O-N 2.91Å; V965-I969 HydrophobicContact CG1-CD1 3.74Å; V965-I969 WeakPolarHBondContact O-CB 3.4Å; V965-I969 VanDerWaalsContact O-CG1 3.28Å; V965-I969 WeakPolarHBondContact O-CG1 3.36Å; V965-I969 PolarHBondContact O-N 3.15Å; V965-L987 HydrophobicContact CB-CD2 4.24Å; V965-L987 HydrophobicContact CG1-CD2 3.87Å; V965-L987 HydrophobicContact CG2-CD2 4.01Å; V965-A990 HydrophobicContact CG2-CB 3.65Å; V965-F991 HydrophobicContact CG1-CZ 4.28Å; V965-I994 HydrophobicContact CG2-CD1 4.12Å
966	V	85.5	Confident	85.2	Confident	23 Å²	23	42.2 Å²	42.2	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-44	179.6	175.9	0	0	0	0	111.4	I962 I963 S970 S1027	I962-V966 WeakPolarHBondContact O-CG2 3.31Å; I962-V966 PolarHBondContact O-N 3.25Å; I963-V966 PolarHBondContact O-N 2.92Å; V966-S970 WeakPolarHBondContact O-CB 3.49Å; V966-S970 PolarHBondContact O-N 2.92Å; V966-S970 PolarHBondContact O-OG 3.41Å; V966-S1027 WeakPolarHBondContact CG1-OG 3.23Å
967	A	84.4	Confident	84.2	Confident	36 Å²	36	48.5 Å²	48.5	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-44.9	177.9	0	0	0	0	0	111.8	L849 I963 G964 S970 D971	L849-A967 HydrophobicContact CD2-CB 3.74Å; I963-A967 VanDerWaalsContact O-CB 3.3Å; I963-A967 WeakPolarHBondContact O-CB 3.25Å; I963-A967 PolarHBondContact O-N 3.46Å; G964-A967 PolarHBondContact O-N 3.05Å; A967-S970 PolarHBondContact O-N 3.43Å; A967-D971 WeakPolarHBondContact O-CB 3.4Å; A967-D971 PolarHBondContact O-N 3.28Å
968	G	83.8	Confident	83	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-66.3	-39.3	179.7	0	0	0	0	0	113.4	G964 V965 A972 L983	G964-G968 PolarHBondContact O-N 3.46Å; V965-G968 PolarHBondContact O-N 2.91Å; G968-A972 WeakPolarHBondContact O-CB 3.36Å; G968-A972 PolarHBondContact O-N 2.95Å; G968-L983 WeakPolarHBondContact O-CD1 3.46Å
969	I	83.7	Confident	82.2	Confident	63 Å²	63	58.2 Å²	58.2	32%	0.323	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-44.3	173.1	-69.2	168.2	0	0	0	110.3	V965 A972 I973 L987	V965-I969 HydrophobicContact CG1-CD1 3.74Å; V965-I969 WeakPolarHBondContact O-CB 3.4Å; V965-I969 VanDerWaalsContact O-CG1 3.28Å; V965-I969 WeakPolarHBondContact O-CG1 3.36Å; V965-I969 PolarHBondContact O-N 3.15Å; I969-A972 PolarHBondContact O-N 2.88Å; I969-I973 HydrophobicContact CG2-CD1 3.74Å; I969-I973 WeakPolarHBondContact O-CD1 3.4Å; I969-I973 VanDerWaalsContact O-CG1 3.29Å; I969-I973 WeakPolarHBondContact O-CG1 3.13Å; I969-I973 PolarHBondContact O-N 3.44Å; I969-L987 HydrophobicContact CD1-CD2 4.43Å; I969-L987 HydrophobicContact CG1-CD1 4.14Å; I969-L987 HydrophobicContact CG1-CD2 4.18Å
970	S	80.6	Confident	81.4	Confident	4 Å²	4	58.2 Å²	58.2	3%	0.028	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-45.2	178.4	-57.6	0	0	0	0	111.5	V966 A967 I973 N974	V966-S970 WeakPolarHBondContact O-CB 3.49Å; V966-S970 PolarHBondContact O-N 2.92Å; V966-S970 PolarHBondContact O-OG 3.41Å; A967-S970 PolarHBondContact O-N 3.43Å; S970-I973 PolarHBondContact O-N 2.94Å; S970-N974 PolarHBondContact O-N 2.99Å; S970-N974 PolarHBondContact O-ND2 3.28Å
971	D	78	Confident	80.6	Confident	80 Å²	80	58.2 Å²	58.2	43%	0.428	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-44	177.8	-176.1	59.9	0	0	0	112.2	A967 I973 N974 N975	A967-D971 WeakPolarHBondContact O-CB 3.4Å; A967-D971 PolarHBondContact O-N 3.28Å; D971-I973 VanDerWaalsContact C-N 3.33Å; D971-I973 PolarHBondContact O-N 2.76Å; D971-N974 PolarHBondContact O-N 3Å; D971-N974 VanDerWaalsContact O-N 3.07Å; D971-N975 PolarHBondContact O-N 3.37Å; D971-N975 PolarHBondContact O-ND2 3.31Å; D971-N975 PolarHBondContact OD1-ND2 3.5Å; D971-N975 PolarHBondContact OD2-ND2 2.88Å
972	A	79.4	Confident	79.9	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-34.5	178.9	0	0	0	0	0	113.7	G968 I969 N974 G976 S979 L983	G968-A972 WeakPolarHBondContact O-CB 3.36Å; G968-A972 PolarHBondContact O-N 2.95Å; I969-A972 PolarHBondContact O-N 2.88Å; A972-N974 PolarHBondContact O-N 3.11Å; A972-G976 PolarHBondContact O-N 3.41Å; A972-S979 VanDerWaalsContact CA-OG 3.29Å; A972-S979 WeakPolarHBondContact CA-OG 3.3Å; A972-S979 WeakPolarHBondContact CB-OG 3.08Å; A972-S979 PolarHBondContact O-OG 3.48Å; A972-L983 HydrophobicContact CB-CB 4.46Å; A972-L983 HydrophobicContact CB-CD1 4.17Å; A972-L983 HydrophobicContact CB-CD2 3.48Å; A972-L983 VanDerWaalsContact CB-CD2 3.48Å; A972-L983 HydrophobicContact CB-CG 4.22Å
973	I	80.2	Confident	79.6	Confident	79 Å²	79	59.1 Å²	59.1	41%	0.405	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-33.1	174.1	-72.2	165.1	0	0	0	111	I969 S970 D971 L1028	I969-I973 HydrophobicContact CG2-CD1 3.74Å; I969-I973 WeakPolarHBondContact O-CD1 3.4Å; I969-I973 VanDerWaalsContact O-CG1 3.29Å; I969-I973 WeakPolarHBondContact O-CG1 3.13Å; I969-I973 PolarHBondContact O-N 3.44Å; S970-I973 PolarHBondContact O-N 2.94Å; D971-I973 VanDerWaalsContact C-N 3.33Å; D971-I973 PolarHBondContact O-N 2.76Å; I973-L1028 HydrophobicContact CB-CD2 4.44Å; I973-L1028 HydrophobicContact CD1-CD2 3.71Å; I973-L1028 HydrophobicContact CG2-CD2 4.3Å
974	N	76.7	Confident	79.4	Confident	72 Å²	72	60.9 Å²	60.9	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-84.5	-32.8	-179	-70.7	-67.9	0	0	0	113.8	S970 D971 A972 G976 V1031	S970-N974 PolarHBondContact O-N 2.99Å; S970-N974 PolarHBondContact O-ND2 3.28Å; D971-N974 PolarHBondContact O-N 3Å; D971-N974 VanDerWaalsContact O-N 3.07Å; A972-N974 PolarHBondContact O-N 3.11Å; N974-G976 VanDerWaalsContact C-N 3.34Å; N974-V1031 WeakPolarHBondContact ND2-CG1 3.48Å
975	N	72.9	Confident	79.1	Confident	79 Å²	79	62 Å²	62	42%	0.422	34%	0.335	S	S	.	.	H	α-helix	trans	-86.2	-1.5	-177.3	-66.2	-30.9	0	0	0	114.1	D971	D971-N975 PolarHBondContact O-N 3.37Å; D971-N975 PolarHBondContact O-ND2 3.31Å; D971-N975 PolarHBondContact OD1-ND2 3.5Å; D971-N975 PolarHBondContact OD2-ND2 2.88Å
976	G	71.5	Confident	79	Confident	32 Å²	32	62.3 Å²	62.3	33%	0.33	34%	0.336	S	S	.	.			trans	79.8	179.4	175.6	0	0	0	0	0	114.7	A972 N974 Q978 S979	A972-G976 PolarHBondContact O-N 3.41Å; N974-G976 VanDerWaalsContact C-N 3.34Å; G976-Q978 PolarHBondContact O-N 3.3Å; G976-S979 PolarHBondContact O-N 3.04Å; G976-S979 VanDerWaalsContact O-N 3.16Å; G976-S979 PolarHBondContact O-OG 2.91Å
977	Y	71.8	Confident	79.2	Confident	212 Å²	212	62.1 Å²	62.1	83%	0.831	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-55.8	-26.4	-167.7	-83.2	-80.8	0	0	0	115.4	S979 W980	Y977-S979 PolarHBondContact O-N 3.16Å; Y977-W980 PolarHBondContact O-N 2.81Å
978	Q	69.4	Low	79.4	Confident	191 Å²	191	66 Å²	66	89%	0.893	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-66.8	-21.3	-178.3	-65.6	-163.3	-9.9	0	0	113.7	G976	G976-Q978 PolarHBondContact O-N 3.3Å
979	S	73.2	Confident	79.7	Confident	27 Å²	27	68.9 Å²	68.9	19%	0.189	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-81.7	-12.4	179.9	65.3	0	0	0	0	114.4	A972 G976 Y977 G981 L983	A972-S979 VanDerWaalsContact CA-OG 3.29Å; A972-S979 WeakPolarHBondContact CA-OG 3.3Å; A972-S979 WeakPolarHBondContact CB-OG 3.08Å; A972-S979 PolarHBondContact O-OG 3.48Å; G976-S979 PolarHBondContact O-N 3.04Å; G976-S979 VanDerWaalsContact O-N 3.16Å; G976-S979 PolarHBondContact O-OG 2.91Å; Y977-S979 PolarHBondContact O-N 3.16Å; S979-G981 PolarHBondContact O-N 3.36Å; S979-L983 WeakPolarHBondContact O-CB 3.18Å; S979-L983 PolarHBondContact O-N 2.83Å
980	W	74.1	Confident	80.1	Confident	98 Å²	98	65.9 Å²	65.9	37%	0.371	34%	0.34	S	S	.	.	H	α-helix	trans	-69.3	-37.4	-171.4	-77.2	73.7	0	0	0	113.6	Y977 L983 F984	Y977-W980 PolarHBondContact O-N 2.81Å; W980-L983 HydrophobicContact CE3-CD2 4.42Å; W980-L983 WeakPolarHBondContact O-CB 3.43Å; W980-L983 PolarHBondContact O-N 3.23Å; W980-F984 HydrophobicContact CB-CE2 4.45Å; W980-F984 HydrophobicContact CE3-CE2 4.03Å; W980-F984 HydrophobicContact CE3-CZ 4.23Å; W980-F984 WeakPolarHBondContact O-CD2 3.02Å; W980-F984 PolarHBondContact O-N 3.42Å
981	G	77.6	Confident	80.7	Confident	53 Å²	53	70.6 Å²	70.6	55%	0.546	36%	0.361	S	S	.	.	H	α-helix	trans	-58.7	-58.1	179.5	0	0	0	0	0	113	S979 L983 F984	S979-G981 PolarHBondContact O-N 3.36Å; G981-L983 VanDerWaalsContact C-N 3.26Å; G981-L983 PolarHBondContact O-N 3.13Å; G981-F984 PolarHBondContact O-N 3.21Å
982	P	77.9	Confident	81.5	Confident	68 Å²	68	71 Å²	71	44%	0.442	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-34.4	174.5	-25	34.7	0	0	0	113.3	F984 G985 K986	P982-F984 PolarHBondContact O-N 2.73Å; P982-G985 PolarHBondContact O-N 2.82Å; P982-K986 WeakPolarHBondContact O-CG 3.46Å; P982-K986 PolarHBondContact O-N 3.08Å; P982-K986 VanDerWaalsContact O-N 3.16Å
983	L	83.6	Confident	82.1	Confident	13 Å²	13	71 Å²	71	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-45.2	177.3	-177.8	73.8	0	0	0	111.7	L848 G968 A972 S979 W980 G981 G985 K986 L987	L848-L983 HydrophobicContact CD2-CD1 4.14Å; G968-L983 WeakPolarHBondContact O-CD1 3.46Å; A972-L983 HydrophobicContact CB-CB 4.46Å; A972-L983 HydrophobicContact CB-CD1 4.17Å; A972-L983 HydrophobicContact CB-CD2 3.48Å; A972-L983 VanDerWaalsContact CB-CD2 3.48Å; A972-L983 HydrophobicContact CB-CG 4.22Å; S979-L983 WeakPolarHBondContact O-CB 3.18Å; S979-L983 PolarHBondContact O-N 2.83Å; W980-L983 HydrophobicContact CE3-CD2 4.42Å; W980-L983 WeakPolarHBondContact O-CB 3.43Å; W980-L983 PolarHBondContact O-N 3.23Å; G981-L983 VanDerWaalsContact C-N 3.26Å; G981-L983 PolarHBondContact O-N 3.13Å; L983-G985 VanDerWaalsContact C-N 3.29Å; L983-G985 PolarHBondContact O-N 3.18Å; L983-K986 PolarHBondContact O-N 2.83Å; L983-K986 VanDerWaalsContact O-N 3.13Å; L983-L987 HydrophobicContact CD1-CD1 4.14Å; L983-L987 HydrophobicContact CD1-CD2 4.46Å; L983-L987 HydrophobicContact CD1-CG 4.01Å; L983-L987 HydrophobicContact CD2-CD1 3.92Å; L983-L987 HydrophobicContact CG-CD1 3.67Å; L983-L987 HydrophobicContact CG-CG 3.93Å; L983-L987 WeakPolarHBondContact O-CB 3.33Å; L983-L987 WeakPolarHBondContact O-CG 3.34Å; L983-L987 PolarHBondContact O-N 3.48Å
984	F	84.7	Confident	82.7	Confident	130 Å²	130	68.7 Å²	68.7	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-56.6	-43	179.3	-83.8	-70.4	0	0	0	112.4	W980 G981 P982 F988	W980-F984 HydrophobicContact CB-CE2 4.45Å; W980-F984 HydrophobicContact CE3-CE2 4.03Å; W980-F984 HydrophobicContact CE3-CZ 4.23Å; W980-F984 WeakPolarHBondContact O-CD2 3.02Å; W980-F984 PolarHBondContact O-N 3.42Å; G981-F984 PolarHBondContact O-N 3.21Å; P982-F984 PolarHBondContact O-N 2.73Å; F984-F988 VanDerWaalsContact O-CB 3.31Å; F984-F988 WeakPolarHBondContact O-CB 3.35Å; F984-F988 PolarHBondContact O-N 2.68Å
985	G	82.5	Confident	83.4	Confident	24 Å²	24	68.4 Å²	68.4	25%	0.247	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-43.5	176.4	0	0	0	0	0	112.7	P982 L983 F988 F989	P982-G985 PolarHBondContact O-N 2.82Å; L983-G985 VanDerWaalsContact C-N 3.29Å; L983-G985 PolarHBondContact O-N 3.18Å; G985-F988 PolarHBondContact O-N 3.46Å; G985-F989 VanDerWaalsContact O-CD2 3.23Å; G985-F989 WeakPolarHBondContact O-CD2 3.3Å; G985-F989 PolarHBondContact O-N 3.29Å
986	K	87.2	Confident	84.3	Confident	19 Å²	19	64.9 Å²	64.9	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-45.2	177.3	-67.3	178.1	-176.1	-167.1	0	112.3	C847 L848 G851 K852 F853 P982 L983 F989 A990	C847-K986 HydrophobicContact CB-CD 4.49Å; C847-K986 HydrophobicContact CB-CG 4.44Å; C847-K986 PolarHBondContact O-NZ 3.15Å; L848-K986 HydrophobicContact CD2-CB 3.54Å; L848-K986 HydrophobicContact CD2-CD 4.15Å; L848-K986 HydrophobicContact CD2-CG 4.48Å; L848-K986 HydrophobicContact CG-CB 3.95Å; G851-K986 PolarHBondContact O-NZ 3Å; K852-K986 WeakPolarHBondContact O-CE 3.5Å; K852-K986 PolarHBondContact O-NZ 3.42Å; K852-K986 VanDerWaalsContact O-NZ 3.15Å; F853-K986 HydrophobicContact CD2-CD 4.17Å; F853-K986 HydrophobicContact CD2-CG 3.43Å; F853-K986 VanDerWaalsContact CD2-CG 3.43Å; F853-K986 HydrophobicContact CE2-CB 4.45Å; F853-K986 HydrophobicContact CE2-CG 3.48Å; F853-K986 VanDerWaalsContact CE2-CG 3.48Å; F853-K986 HydrophobicContact CG-CG 4.49Å; P982-K986 WeakPolarHBondContact O-CG 3.46Å; P982-K986 PolarHBondContact O-N 3.08Å; P982-K986 VanDerWaalsContact O-N 3.16Å; L983-K986 PolarHBondContact O-N 2.83Å; L983-K986 VanDerWaalsContact O-N 3.13Å; K986-F989 PolarHBondContact O-N 2.91Å; K986-A990 PolarHBondContact O-N 2.77Å; K986-A990 VanDerWaalsContact O-N 3.13Å
987	L	89.7	Confident	85.2	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.105	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-42.1	177.7	-72.7	-179.7	0	0	0	111.2	L848 V965 I969 L983 F989 A990 F991	L848-L987 HydrophobicContact CD2-CD2 4.13Å; V965-L987 HydrophobicContact CB-CD2 4.24Å; V965-L987 HydrophobicContact CG1-CD2 3.87Å; V965-L987 HydrophobicContact CG2-CD2 4.01Å; I969-L987 HydrophobicContact CD1-CD2 4.43Å; I969-L987 HydrophobicContact CG1-CD1 4.14Å; I969-L987 HydrophobicContact CG1-CD2 4.18Å; L983-L987 HydrophobicContact CD1-CD1 4.14Å; L983-L987 HydrophobicContact CD1-CD2 4.46Å; L983-L987 HydrophobicContact CD1-CG 4.01Å; L983-L987 HydrophobicContact CD2-CD1 3.92Å; L983-L987 HydrophobicContact CG-CD1 3.67Å; L983-L987 HydrophobicContact CG-CG 3.93Å; L983-L987 WeakPolarHBondContact O-CB 3.33Å; L983-L987 WeakPolarHBondContact O-CG 3.34Å; L983-L987 PolarHBondContact O-N 3.48Å; L987-F989 VanDerWaalsContact C-N 3.32Å; L987-F989 PolarHBondContact O-N 3.48Å; L987-A990 PolarHBondContact O-N 2.94Å; L987-F991 HydrophobicContact CB-CD2 4.1Å; L987-F991 HydrophobicContact CB-CE2 4.12Å; L987-F991 HydrophobicContact CD2-CE2 4.37Å; L987-F991 WeakPolarHBondContact O-CB 3.43Å; L987-F991 WeakPolarHBondContact O-CD2 3.42Å; L987-F991 PolarHBondContact O-N 3.28Å
988	F	89.7	Confident	85.8	Confident	118 Å²	118	58.6 Å²	58.6	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-55.5	-46.3	178.5	-177.3	-95.5	0	0	0	112.1	F870 F984 G985 W992	F870-F988 HydrophobicContact CE1-CE1 4.45Å; F870-F988 HydrophobicContact CZ-CE1 4.25Å; F984-F988 VanDerWaalsContact O-CB 3.31Å; F984-F988 WeakPolarHBondContact O-CB 3.35Å; F984-F988 PolarHBondContact O-N 2.68Å; G985-F988 PolarHBondContact O-N 3.46Å; F988-W992 WeakPolarHBondContact O-CB 3.42Å; F988-W992 PolarHBondContact O-N 2.98Å
989	F	90.3	Very high	86.2	Confident	62 Å²	62	49.8 Å²	49.8	27%	0.272	25%	0.251	S	S	.	.	H	α-helix	trans	-69.2	-38.9	177.6	-59.4	-45	0	0	0	112.9	P844 F853 G985 K986 L987 W992 V993	P844-F989 HydrophobicContact CB-CB 3.92Å; P844-F989 HydrophobicContact CG-CB 3.64Å; F853-F989 HydrophobicContact CE2-CE2 4.46Å; F853-F989 HydrophobicContact CZ-CE2 4.35Å; G985-F989 VanDerWaalsContact O-CD2 3.23Å; G985-F989 WeakPolarHBondContact O-CD2 3.3Å; G985-F989 PolarHBondContact O-N 3.29Å; K986-F989 PolarHBondContact O-N 2.91Å; L987-F989 VanDerWaalsContact C-N 3.32Å; L987-F989 PolarHBondContact O-N 3.48Å; F989-W992 WeakPolarHBondContact O-CB 3.31Å; F989-W992 PolarHBondContact O-N 3.39Å; F989-V993 PolarHBondContact O-N 3.49Å
990	A	92.1	Very high	86.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-41.8	176.5	0	0	0	0	0	111.9	P844 L848 V965 K986 L987 W992 V993 I994	P844-A990 HydrophobicContact CB-CB 3.94Å; L848-A990 HydrophobicContact CD1-CB 3.61Å; V965-A990 HydrophobicContact CG2-CB 3.65Å; K986-A990 PolarHBondContact O-N 2.77Å; K986-A990 VanDerWaalsContact O-N 3.13Å; L987-A990 PolarHBondContact O-N 2.94Å; A990-W992 VanDerWaalsContact C-N 3.35Å; A990-W992 PolarHBondContact O-N 2.85Å; A990-V993 PolarHBondContact O-N 2.88Å; A990-I994 WeakPolarHBondContact O-CG1 3.5Å; A990-I994 PolarHBondContact O-N 3.19Å
991	F	92.7	Very high	86.6	Confident	104 Å²	104	46 Å²	46	46%	0.456	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-38.6	174	-81.6	-63.2	0	0	0	112	V965 L987 V993 I994 V995	V965-F991 HydrophobicContact CG1-CZ 4.28Å; L987-F991 HydrophobicContact CB-CD2 4.1Å; L987-F991 HydrophobicContact CB-CE2 4.12Å; L987-F991 HydrophobicContact CD2-CE2 4.37Å; L987-F991 WeakPolarHBondContact O-CB 3.43Å; L987-F991 WeakPolarHBondContact O-CD2 3.42Å; L987-F991 PolarHBondContact O-N 3.28Å; F991-V993 VanDerWaalsContact C-N 3.3Å; F991-V993 PolarHBondContact O-N 3.25Å; F991-I994 PolarHBondContact O-N 3.29Å; F991-V995 WeakPolarHBondContact O-CB 3.29Å; F991-V995 WeakPolarHBondContact O-CG2 3.33Å; F991-V995 PolarHBondContact O-N 3.49Å
992	W	93.3	Very high	86.3	Confident	89 Å²	89	47.5 Å²	47.5	34%	0.337	23%	0.227	S	C	.	.	H	α-helix	trans	-55.9	-45.9	173.9	178.4	90.8	0	0	0	111.3	V899 F988 F989 A990 V995 H996	V899-W992 HydrophobicContact CG2-CH2 4.42Å; F988-W992 WeakPolarHBondContact O-CB 3.42Å; F988-W992 PolarHBondContact O-N 2.98Å; F989-W992 WeakPolarHBondContact O-CB 3.31Å; F989-W992 PolarHBondContact O-N 3.39Å; A990-W992 VanDerWaalsContact C-N 3.35Å; A990-W992 PolarHBondContact O-N 2.85Å; W992-V995 PolarHBondContact O-N 3.43Å; W992-H996 AromaticContact CD1-CE1 3.52Å; W992-H996 AromaticContact CD1-ND1 3.92Å; W992-H996 AromaticContact CD2-CE1 3.94Å; W992-H996 AromaticContact CD2-ND1 3.82Å; W992-H996 AromaticContact CE2-CE1 3.32Å; W992-H996 AromaticContact CE2-ND1 3.61Å; W992-H996 AromaticContact CE2-NE2 3.96Å; W992-H996 AromaticContact CZ2-CE1 3.78Å; W992-H996 AromaticContact CZ2-NE2 3.97Å; W992-H996 AromaticContact NE1-CE1 3.06Å; W992-H996 PolarHBondContact NE1-CE1 3.35Å; W992-H996 AromaticContact NE1-ND1 3.71Å; W992-H996 AromaticContact NE1-NE2 3.85Å; W992-H996 PolarHBondContact O-N 3.44Å; W992-H996 VanDerWaalsContact O-N 3.14Å; W992-H996 PolarHBondContact O-ND1 2.88Å
993	V	94	Very high	85.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-48.5	176.4	179.2	0	0	0	0	111.1	C841 P844 F989 A990 F991 V995 H996 L997	C841-V993 HydrophobicContact CB-CG1 4.11Å; C841-V993 HydrophobicContact CB-CG2 4.1Å; P844-V993 HydrophobicContact CG-CG2 4.33Å; F989-V993 PolarHBondContact O-N 3.49Å; A990-V993 PolarHBondContact O-N 2.88Å; F991-V993 VanDerWaalsContact C-N 3.3Å; F991-V993 PolarHBondContact O-N 3.25Å; V993-V995 VanDerWaalsContact C-N 3.34Å; V993-V995 PolarHBondContact O-N 3.31Å; V993-H996 PolarHBondContact O-N 3.45Å; V993-L997 HydrophobicContact CG1-CD1 4Å; V993-L997 WeakPolarHBondContact O-CG 3.48Å; V993-L997 PolarHBondContact O-N 2.84Å
994	I	92	Very high	85.1	Confident	30 Å²	30	46.2 Å²	46.2	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-41.6	-178.7	-66.2	165.8	0	0	0	111.3	L958 N961 I962 V965 A990 F991 H996 L997 Y998	L958-I994 HydrophobicContact CD1-CG1 4.39Å; L958-I994 HydrophobicContact CD1-CG2 4.25Å; N961-I994 HydrophobicContact CB-CD1 4.26Å; N961-I994 HydrophobicContact CB-CG1 4.05Å; I962-I994 HydrophobicContact CG1-CD1 4.13Å; V965-I994 HydrophobicContact CG2-CD1 4.12Å; A990-I994 WeakPolarHBondContact O-CG1 3.5Å; A990-I994 PolarHBondContact O-N 3.19Å; F991-I994 PolarHBondContact O-N 3.29Å; I994-H996 PolarHBondContact O-N 3.23Å; I994-L997 CarbonylContact O-C 3.47Å; I994-L997 PolarHBondContact O-N 3.44Å; I994-Y998 PolarHBondContact O-N 3.38Å
995	V	92	Very high	84.2	Confident	66 Å²	66	43.1 Å²	43.1	40%	0.4	21%	0.205	S	C	.	.	H	α-helix	trans	-66.2	-36.3	178.9	172.1	0	0	0	0	111.6	W892 Q896 F991 W992 V993 Y998	W892-V995 HydrophobicContact CZ2-CG1 3.91Å; Q896-V995 PolarHBondContact NE2-O 3.03Å; F991-V995 WeakPolarHBondContact O-CB 3.29Å; F991-V995 WeakPolarHBondContact O-CG2 3.33Å; F991-V995 PolarHBondContact O-N 3.49Å; W992-V995 PolarHBondContact O-N 3.43Å; V993-V995 VanDerWaalsContact C-N 3.34Å; V993-V995 PolarHBondContact O-N 3.31Å; V995-Y998 WeakPolarHBondContact O-CB 3.36Å; V995-Y998 PolarHBondContact O-N 2.98Å
996	H	91.8	Very high	82.9	Confident	5 Å²	5	43.2 Å²	43.2	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-70.3	-35	175.1	-75	75.2	0	0	0	112.3	W892 V899 W992 V993 I994 Y998 P999	W892-H996 AromaticContact CH2-CE1 3.38Å; W892-H996 WeakPolarHBondContact CH2-CE1 3.4Å; W892-H996 AromaticContact CH2-NE2 3.57Å; W892-H996 AromaticContact CZ2-CE1 3.83Å; W892-H996 AromaticContact CZ3-NE2 3.95Å; V899-H996 HydrophobicContact CB-CB 4.14Å; V899-H996 HydrophobicContact CG1-CB 4.08Å; V899-H996 HydrophobicContact CG2-CB 4.19Å; W992-H996 AromaticContact CD1-CE1 3.52Å; W992-H996 AromaticContact CD1-ND1 3.92Å; W992-H996 AromaticContact CD2-CE1 3.94Å; W992-H996 AromaticContact CD2-ND1 3.82Å; W992-H996 AromaticContact CE2-CE1 3.32Å; W992-H996 AromaticContact CE2-ND1 3.61Å; W992-H996 AromaticContact CE2-NE2 3.96Å; W992-H996 AromaticContact CZ2-CE1 3.78Å; W992-H996 AromaticContact CZ2-NE2 3.97Å; W992-H996 AromaticContact NE1-CE1 3.06Å; W992-H996 PolarHBondContact NE1-CE1 3.35Å; W992-H996 AromaticContact NE1-ND1 3.71Å; W992-H996 AromaticContact NE1-NE2 3.85Å; W992-H996 PolarHBondContact O-N 3.44Å; W992-H996 VanDerWaalsContact O-N 3.14Å; W992-H996 PolarHBondContact O-ND1 2.88Å; V993-H996 PolarHBondContact O-N 3.45Å; I994-H996 PolarHBondContact O-N 3.23Å; H996-Y998 VanDerWaalsContact C-N 3.3Å; H996-P999 WeakPolarHBondContact O-CD 3.28Å
997	L	89.9	Confident	81.2	Confident	1 Å²	1	52 Å²	52	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-84	-0.7	176.1	-63.6	179.2	0	0	0	113.6	V899 I900 P954 L957 L958 V993 I994 F1000 L1001	V899-L997 HydrophobicContact CG1-CD2 4.5Å; I900-L997 HydrophobicContact CG1-CD2 3.89Å; P954-L997 HydrophobicContact CB-CD2 4.48Å; L957-L997 HydrophobicContact CB-CD1 4.06Å; L958-L997 HydrophobicContact CB-CD1 4.29Å; L958-L997 HydrophobicContact CD1-CB 4.22Å; V993-L997 HydrophobicContact CG1-CD1 4Å; V993-L997 WeakPolarHBondContact O-CG 3.48Å; V993-L997 PolarHBondContact O-N 2.84Å; I994-L997 CarbonylContact O-C 3.47Å; I994-L997 PolarHBondContact O-N 3.44Å; L997-F1000 VanDerWaalsContact O-CB 3.32Å; L997-F1000 WeakPolarHBondContact O-CB 3.42Å; L997-F1000 PolarHBondContact O-N 3.48Å; L997-F1000 VanDerWaalsContact O-N 3.15Å; L997-L1001 PolarHBondContact O-N 3.3Å
998	Y	83.2	Confident	79.2	Confident	112 Å²	112	56.3 Å²	56.3	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-42.5	-178.2	178	-108.3	0	0	0	114.4	I994 V995 H996 F1000 L1001 K1002	I994-Y998 PolarHBondContact O-N 3.38Å; V995-Y998 WeakPolarHBondContact O-CB 3.36Å; V995-Y998 PolarHBondContact O-N 2.98Å; H996-Y998 VanDerWaalsContact C-N 3.3Å; Y998-F1000 PolarHBondContact O-N 3.38Å; Y998-L1001 WeakPolarHBondContact O-CB 3.43Å; Y998-L1001 PolarHBondContact O-N 3.3Å; Y998-L1001 VanDerWaalsContact O-N 3.16Å; Y998-K1002 PolarHBondContact O-N 2.93Å
999	P	78.6	Confident	77.1	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.032	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-35.3	175.4	-22.5	34.2	0	0	0	112.4	R595 Q896 I900 H996 K1002 G1003	R595-P999 HydrophobicContact CG-CB 4.38Å; Q896-P999 HydrophobicContact CB-CG 4.1Å; Q896-P999 VanDerWaalsContact CD-CG 3.46Å; Q896-P999 HydrophobicContact CG-CG 4.33Å; I900-P999 HydrophobicContact CD1-CB 4.39Å; H996-P999 WeakPolarHBondContact O-CD 3.28Å; P999-K1002 PolarHBondContact O-N 3.44Å; P999-G1003 PolarHBondContact O-N 2.96Å
1000	F	78.3	Confident	75	Confident	2 Å²	2	66 Å²	66	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-44.6	174.8	172.3	-115	0	0	0	111.6	L782 I900 L951 P954 T955 L997 Y998 K1002 G1003 L1004	L782-F1000 HydrophobicContact CD2-CD2 3.7Å; L782-F1000 HydrophobicContact CD2-CE2 4.15Å; I900-F1000 HydrophobicContact CD1-CB 3.86Å; I900-F1000 HydrophobicContact CG1-CB 4.17Å; L951-F1000 HydrophobicContact CB-CE2 4.28Å; L951-F1000 HydrophobicContact CB-CZ 4.06Å; L951-F1000 HydrophobicContact CD1-CE2 4.31Å; L951-F1000 HydrophobicContact CD2-CD2 4.47Å; L951-F1000 HydrophobicContact CD2-CE2 3.57Å; L951-F1000 HydrophobicContact CD2-CZ 4.14Å; L951-F1000 HydrophobicContact CG-CE2 4.26Å; P954-F1000 HydrophobicContact CB-CD1 3.75Å; P954-F1000 HydrophobicContact CB-CE1 3.49Å; P954-F1000 VanDerWaalsContact CB-CE1 3.49Å; P954-F1000 HydrophobicContact CB-CG 4.4Å; P954-F1000 HydrophobicContact CB-CZ 3.97Å; T955-F1000 HydrophobicContact CG2-CE1 3.67Å; T955-F1000 HydrophobicContact CG2-CZ 3.69Å; L997-F1000 VanDerWaalsContact O-CB 3.32Å; L997-F1000 WeakPolarHBondContact O-CB 3.42Å; L997-F1000 PolarHBondContact O-N 3.48Å; L997-F1000 VanDerWaalsContact O-N 3.15Å; Y998-F1000 PolarHBondContact O-N 3.38Å; F1000-K1002 VanDerWaalsContact C-N 3.33Å; F1000-K1002 PolarHBondContact O-N 2.77Å; F1000-G1003 WeakPolarHBondContact O-CA 3.25Å; F1000-G1003 PolarHBondContact O-N 2.83Å; F1000-G1003 VanDerWaalsContact O-N 3.1Å; F1000-L1004 HydrophobicContact CD1-CD1 3.85Å; F1000-L1004 HydrophobicContact CD2-CG 4.48Å; F1000-L1004 HydrophobicContact CE1-CD1 3.32Å; F1000-L1004 HydrophobicContact CE1-CG 4.15Å; F1000-L1004 HydrophobicContact CE2-CD1 4.04Å; F1000-L1004 HydrophobicContact CE2-CD2 4.36Å; F1000-L1004 HydrophobicContact CE2-CG 3.95Å; F1000-L1004 HydrophobicContact CG-CD1 4.42Å; F1000-L1004 HydrophobicContact CZ-CD1 3.46Å; F1000-L1004 VanDerWaalsContact CZ-CD1 3.46Å; F1000-L1004 HydrophobicContact CZ-CD2 4.06Å; F1000-L1004 HydrophobicContact CZ-CG 3.8Å; F1000-L1004 PolarHBondContact O-N 3.33Å
1001	L	77	Confident	73.1	Confident	44 Å²	44	68.5 Å²	68.5	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-44.7	172.8	178.6	58.7	0	0	0	111.7	L958 L997 Y998 G1003 L1004 M1005	L958-L1001 HydrophobicContact CD2-CB 3.89Å; L958-L1001 HydrophobicContact CD2-CD1 3.86Å; L958-L1001 HydrophobicContact CD2-CD2 4.31Å; L958-L1001 HydrophobicContact CD2-CG 4.22Å; L997-L1001 PolarHBondContact O-N 3.3Å; Y998-L1001 WeakPolarHBondContact O-CB 3.43Å; Y998-L1001 PolarHBondContact O-N 3.3Å; Y998-L1001 VanDerWaalsContact O-N 3.16Å; L1001-G1003 PolarHBondContact O-N 3.48Å; L1001-L1004 WeakPolarHBondContact O-CB 3.49Å; L1001-L1004 PolarHBondContact O-N 2.85Å; L1001-M1005 HydrophobicContact CD1-CG 4.48Å; L1001-M1005 HydrophobicContact CD1-SD 4.4Å; L1001-M1005 HydrophobicContact CG-SD 4.35Å; L1001-M1005 WeakPolarHBondContact O-CG 3.2Å; L1001-M1005 PolarHBondContact O-N 3.46Å; L1001-M1005 VanDerWaalsContact O-N 3.11Å
1002	K	71.3	Confident	71.2	Confident	84 Å²	84	66.1 Å²	66.1	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-33.7	176.1	-164.8	179.2	-177.5	-179.6	0	112	Y998 P999 F1000	Y998-K1002 PolarHBondContact O-N 2.93Å; P999-K1002 PolarHBondContact O-N 3.44Å; F1000-K1002 VanDerWaalsContact C-N 3.33Å; F1000-K1002 PolarHBondContact O-N 2.77Å
1003	G	68.5	Low	69.8	Low	5 Å²	5	66.2 Å²	66.2	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-41.1	174	0	0	0	0	0	113.6	P999 F1000 L1001 M1005 G1006	P999-G1003 PolarHBondContact O-N 2.96Å; F1000-G1003 WeakPolarHBondContact O-CA 3.25Å; F1000-G1003 PolarHBondContact O-N 2.83Å; F1000-G1003 VanDerWaalsContact O-N 3.1Å; L1001-G1003 PolarHBondContact O-N 3.48Å; G1003-M1005 VanDerWaalsContact C-N 3.26Å; G1003-M1005 PolarHBondContact O-N 3.05Å; G1003-G1006 WeakPolarHBondContact O-CA 3.37Å; G1003-G1006 PolarHBondContact O-N 3.24Å
1004	L	68.2	Low	68.7	Low	49 Å²	49	70.5 Å²	70.5	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-33.7	174.9	-79.2	162.4	0	0	0	112.8	F945 W947 T955 F1000 L1001 G1006	F945-L1004 HydrophobicContact CD2-CD2 4.44Å; F945-L1004 HydrophobicContact CE1-CD2 4.2Å; F945-L1004 HydrophobicContact CE2-CB 4.49Å; F945-L1004 HydrophobicContact CE2-CD2 3.4Å; F945-L1004 VanDerWaalsContact CE2-CD2 3.4Å; F945-L1004 HydrophobicContact CE2-CG 3.92Å; F945-L1004 HydrophobicContact CZ-CD2 3.24Å; F945-L1004 HydrophobicContact CZ-CG 4.26Å; W947-L1004 HydrophobicContact CZ3-CD2 3.94Å; T955-L1004 HydrophobicContact CG2-CD1 3.78Å; T955-L1004 HydrophobicContact CG2-CD2 4.17Å; F1000-L1004 HydrophobicContact CD1-CD1 3.85Å; F1000-L1004 HydrophobicContact CD2-CG 4.48Å; F1000-L1004 HydrophobicContact CE1-CD1 3.32Å; F1000-L1004 HydrophobicContact CE1-CG 4.15Å; F1000-L1004 HydrophobicContact CE2-CD1 4.04Å; F1000-L1004 HydrophobicContact CE2-CD2 4.36Å; F1000-L1004 HydrophobicContact CE2-CG 3.95Å; F1000-L1004 HydrophobicContact CG-CD1 4.42Å; F1000-L1004 HydrophobicContact CZ-CD1 3.46Å; F1000-L1004 VanDerWaalsContact CZ-CD1 3.46Å; F1000-L1004 HydrophobicContact CZ-CD2 4.06Å; F1000-L1004 HydrophobicContact CZ-CG 3.8Å; F1000-L1004 PolarHBondContact O-N 3.33Å; L1001-L1004 WeakPolarHBondContact O-CB 3.49Å; L1001-L1004 PolarHBondContact O-N 2.85Å; L1004-G1006 PolarHBondContact O-N 3.16Å; L1004-G1006 VanDerWaalsContact O-N 3.08Å
1005	M	66.1	Low	67.8	Low	66 Å²	66	73 Å²	73	33%	0.325	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	14.7	174.9	-63.2	177.3	70.5	0	0	113	L1001 G1003 V1016	L1001-M1005 HydrophobicContact CD1-CG 4.48Å; L1001-M1005 HydrophobicContact CD1-SD 4.4Å; L1001-M1005 HydrophobicContact CG-SD 4.35Å; L1001-M1005 WeakPolarHBondContact O-CG 3.2Å; L1001-M1005 PolarHBondContact O-N 3.46Å; L1001-M1005 VanDerWaalsContact O-N 3.11Å; G1003-M1005 VanDerWaalsContact C-N 3.26Å; G1003-M1005 PolarHBondContact O-N 3.05Å; M1005-V1016 HydrophobicContact CE-CG2 3.34Å; M1005-V1016 HydrophobicContact SD-CG2 4.11Å
1006	G	55.2	Low	66.7	Low	26 Å²	26	72.3 Å²	72.3	27%	0.268	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	136.9	-173.9	0	0	0	0	0	114.7	G1003 L1004	G1003-G1006 WeakPolarHBondContact O-CA 3.37Å; G1003-G1006 PolarHBondContact O-N 3.24Å; L1004-G1006 PolarHBondContact O-N 3.16Å; L1004-G1006 VanDerWaalsContact O-N 3.08Å
1007	R	52.3	Low	65.9	Low	202 Å²	202	76.6 Å²	76.6	76%	0.762	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	1.9	173.5	-130.9	177.2	176.7	161.4	0.8	119.1
1008	Q	46.4	Very low	65.4	Low	112 Å²	112	84 Å²	84	52%	0.523	41%	0.408	S	S	.	.			trans	-138.9	107.5	166.6	-74	-171.7	-7.1	0	0	113	R1010 T1011	Q1008-R1010 HydrophobicContact CB-CB 4Å; Q1008-R1010 HydrophobicContact CG-CB 4.25Å; Q1008-R1010 PolarHBondContact O-N 3.41Å; Q1008-T1011 PolarHBondContact O-N 3.06Å; Q1008-T1011 PolarHBondContact O-OG1 2.88Å
1009	N	46.8	Very low	65.1	Low	167 Å²	167	81.7 Å²	81.7	89%	0.893	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	3.1	149	-127.2	6.7	0	0	0	112
1010	R	45	Very low	64.9	Low	217 Å²	217	84.8 Å²	84.8	82%	0.819	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-8	-175.6	-110.8	-173.1	179	173.6	1	115.4	Q1008 P1012	Q1008-R1010 HydrophobicContact CB-CB 4Å; Q1008-R1010 HydrophobicContact CG-CB 4.25Å; Q1008-R1010 PolarHBondContact O-N 3.41Å; R1010-P1012 WeakPolarHBondContact O-CD 3.41Å
1011	T	52.2	Low	65	Low	52 Å²	52	88.4 Å²	88.4	32%	0.319	45%	0.445	S	S	.	.	S	Bend	trans	-76.9	101.5	157.6	38.7	0	0	0	0	103.9	Q1008 T1013	Q1008-T1011 PolarHBondContact O-N 3.06Å; Q1008-T1011 PolarHBondContact O-OG1 2.88Å; T1011-T1013 PolarHBondContact O-N 2.77Å
1012	P	53.7	Low	65.3	Low	53 Å²	53	90.6 Å²	90.6	34%	0.344	46%	0.457	S	S	.	.			trans	-61.6	137	-177.5	31.3	-35.3	0	0	0	105.2	R1010 I1014 V1015	R1010-P1012 WeakPolarHBondContact O-CD 3.41Å; P1012-I1014 HydrophobicContact CB-CB 3.69Å; P1012-I1014 HydrophobicContact CB-CD1 3.85Å; P1012-I1014 HydrophobicContact CB-CG1 3.86Å; P1012-I1014 HydrophobicContact CG-CB 3.81Å; P1012-I1014 HydrophobicContact CG-CD1 4.46Å; P1012-I1014 HydrophobicContact CG-CG1 4.47Å; P1012-I1014 CarbonylContact O-C 3.43Å; P1012-I1014 PolarHBondContact O-N 3.29Å; P1012-V1015 HydrophobicContact CG-CG2 3.92Å; P1012-V1015 PolarHBondContact O-N 2.88Å
1013	T	62.7	Low	65.6	Low	92 Å²	92	88.7 Å²	88.7	56%	0.564	46%	0.457	S	S	*	.	H	α-helix	trans	-40.2	-29.5	166.7	38.7	0	0	0	0	111.4	T1011 V1015 V1016 I1017	T1011-T1013 PolarHBondContact O-N 2.77Å; T1013-V1015 PolarHBondContact O-N 3.03Å; T1013-V1016 PolarHBondContact O-N 3.02Å; T1013-I1017 WeakPolarHBondContact O-CB 3.3Å; T1013-I1017 WeakPolarHBondContact O-CD1 3.45Å; T1013-I1017 WeakPolarHBondContact O-CG1 3.21Å; T1013-I1017 PolarHBondContact O-N 2.82Å
1014	I	70.9	Confident	66	Low	91 Å²	91	90.1 Å²	90.1	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-43	-50.4	164.9	-55.1	172.8	0	0	0	114.4	P1012 V1016 I1017 W1018	P1012-I1014 HydrophobicContact CB-CB 3.69Å; P1012-I1014 HydrophobicContact CB-CD1 3.85Å; P1012-I1014 HydrophobicContact CB-CG1 3.86Å; P1012-I1014 HydrophobicContact CG-CB 3.81Å; P1012-I1014 HydrophobicContact CG-CD1 4.46Å; P1012-I1014 HydrophobicContact CG-CG1 4.47Å; P1012-I1014 CarbonylContact O-C 3.43Å; P1012-I1014 PolarHBondContact O-N 3.29Å; I1014-V1016 PolarHBondContact O-N 3.39Å; I1014-I1017 PolarHBondContact O-N 3.07Å; I1014-W1018 WeakPolarHBondContact O-CB 3.4Å; I1014-W1018 PolarHBondContact O-N 3.18Å
1015	V	73.6	Confident	66.6	Low	82 Å²	82	92 Å²	92	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-42	-179.9	171.6	0	0	0	0	111.5	P1012 T1013 W1018 S1019	P1012-V1015 HydrophobicContact CG-CG2 3.92Å; P1012-V1015 PolarHBondContact O-N 2.88Å; T1013-V1015 PolarHBondContact O-N 3.03Å; V1015-W1018 PolarHBondContact O-N 3.38Å; V1015-S1019 WeakPolarHBondContact O-CB 3.29Å; V1015-S1019 PolarHBondContact O-N 3.16Å; V1015-S1019 PolarHBondContact O-OG 3.42Å
1016	V	69.2	Low	67.4	Low	52 Å²	52	95.6 Å²	95.6	32%	0.315	49%	0.489	S	S	.	.	H	α-helix	trans	-68.3	-40.5	175.9	176.1	0	0	0	0	110.8	M1005 T1013 I1014 W1018 S1019 V1020	M1005-V1016 HydrophobicContact CE-CG2 3.34Å; M1005-V1016 HydrophobicContact SD-CG2 4.11Å; T1013-V1016 PolarHBondContact O-N 3.02Å; I1014-V1016 PolarHBondContact O-N 3.39Å; V1016-W1018 VanDerWaalsContact C-N 3.33Å; V1016-W1018 PolarHBondContact O-N 2.88Å; V1016-S1019 WeakPolarHBondContact CA-OG 3.47Å; V1016-S1019 PolarHBondContact O-N 3.41Å; V1016-S1019 PolarHBondContact O-OG 2.86Å; V1016-V1020 HydrophobicContact CG1-CG2 4.38Å; V1016-V1020 WeakPolarHBondContact O-CB 3.29Å; V1016-V1020 VanDerWaalsContact O-CG2 3.25Å; V1016-V1020 WeakPolarHBondContact O-CG2 3.42Å; V1016-V1020 PolarHBondContact O-N 3.47Å
1017	I	74.3	Confident	68.4	Low	94 Å²	94	96.3 Å²	96.3	48%	0.482	49%	0.49	S	S	.	.	H	α-helix	trans	-59.9	-46.4	174.2	-69.3	164	0	0	0	109.6	T1013 I1014 V1020 L1021	T1013-I1017 WeakPolarHBondContact O-CB 3.3Å; T1013-I1017 WeakPolarHBondContact O-CD1 3.45Å; T1013-I1017 WeakPolarHBondContact O-CG1 3.21Å; T1013-I1017 PolarHBondContact O-N 2.82Å; I1014-I1017 PolarHBondContact O-N 3.07Å; I1017-V1020 PolarHBondContact O-N 2.64Å; I1017-L1021 HydrophobicContact CG2-CD1 3.84Å; I1017-L1021 HydrophobicContact CG2-CG 4.31Å; I1017-L1021 WeakPolarHBondContact O-CB 3.38Å; I1017-L1021 WeakPolarHBondContact O-CG 3.48Å; I1017-L1021 PolarHBondContact O-N 3.39Å
1018	W	80.1	Confident	69.4	Low	158 Å²	158	89.6 Å²	89.6	60%	0.598	47%	0.469	S	S	*	.	H	α-helix	trans	-64.9	-39.3	177	-79.8	117.1	0	0	0	113	I1014 V1015 V1016 L1021 L1022	I1014-W1018 WeakPolarHBondContact O-CB 3.4Å; I1014-W1018 PolarHBondContact O-N 3.18Å; V1015-W1018 PolarHBondContact O-N 3.38Å; V1016-W1018 VanDerWaalsContact C-N 3.33Å; V1016-W1018 PolarHBondContact O-N 2.88Å; W1018-L1021 HydrophobicContact CE3-CD1 4.17Å; W1018-L1021 HydrophobicContact CZ3-CD1 4.47Å; W1018-L1021 PolarHBondContact O-N 2.79Å; W1018-L1022 VanDerWaalsContact O-CB 3.31Å; W1018-L1022 WeakPolarHBondContact O-CB 3.35Å; W1018-L1022 VanDerWaalsContact O-CG 3.26Å; W1018-L1022 WeakPolarHBondContact O-CG 3.47Å; W1018-L1022 PolarHBondContact O-N 3.37Å
1019	S	77.4	Confident	71.1	Confident	62 Å²	62	88.2 Å²	88.2	43%	0.434	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-38.9	177.1	70.2	0	0	0	0	111.6	V1015 V1016 A1023	V1015-S1019 WeakPolarHBondContact O-CB 3.29Å; V1015-S1019 PolarHBondContact O-N 3.16Å; V1015-S1019 PolarHBondContact O-OG 3.42Å; V1016-S1019 WeakPolarHBondContact CA-OG 3.47Å; V1016-S1019 PolarHBondContact O-N 3.41Å; V1016-S1019 PolarHBondContact O-OG 2.86Å; S1019-A1023 VanDerWaalsContact O-CB 3.23Å; S1019-A1023 WeakPolarHBondContact O-CB 3.31Å; S1019-A1023 PolarHBondContact O-N 2.87Å
1020	V	74.1	Confident	72.6	Confident	70 Å²	70	88.6 Å²	88.6	42%	0.424	45%	0.454	S	S	.	.	H	α-helix	trans	-65.3	-43.3	172.8	172.2	0	0	0	0	111	V1016 I1017 A1023 S1024	V1016-V1020 HydrophobicContact CG1-CG2 4.38Å; V1016-V1020 WeakPolarHBondContact O-CB 3.29Å; V1016-V1020 VanDerWaalsContact O-CG2 3.25Å; V1016-V1020 WeakPolarHBondContact O-CG2 3.42Å; V1016-V1020 PolarHBondContact O-N 3.47Å; I1017-V1020 PolarHBondContact O-N 2.64Å; V1020-A1023 PolarHBondContact O-N 3.35Å; V1020-S1024 WeakPolarHBondContact O-CB 3.26Å; V1020-S1024 PolarHBondContact O-N 3.07Å
1021	L	80.2	Confident	73.8	Confident	78 Å²	78	79.8 Å²	79.8	41%	0.408	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-48.6	175.4	-73.7	171.8	0	0	0	111	I1017 W1018 A1023 S1024 I1025	I1017-L1021 HydrophobicContact CG2-CD1 3.84Å; I1017-L1021 HydrophobicContact CG2-CG 4.31Å; I1017-L1021 WeakPolarHBondContact O-CB 3.38Å; I1017-L1021 WeakPolarHBondContact O-CG 3.48Å; I1017-L1021 PolarHBondContact O-N 3.39Å; W1018-L1021 HydrophobicContact CE3-CD1 4.17Å; W1018-L1021 HydrophobicContact CZ3-CD1 4.47Å; W1018-L1021 PolarHBondContact O-N 2.79Å; L1021-A1023 PolarHBondContact O-N 2.98Å; L1021-S1024 PolarHBondContact O-N 3.38Å; L1021-S1024 PolarHBondContact O-OG 2.71Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.23Å; L1021-I1025 PolarHBondContact O-N 3.33Å
1022	L	83.5	Confident	74.8	Confident	90 Å²	90	86.1 Å²	86.1	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176.5	-75.4	170	0	0	0	111.3	W1018 S1024 I1025 F1026	W1018-L1022 VanDerWaalsContact O-CB 3.31Å; W1018-L1022 WeakPolarHBondContact O-CB 3.35Å; W1018-L1022 VanDerWaalsContact O-CG 3.26Å; W1018-L1022 WeakPolarHBondContact O-CG 3.47Å; W1018-L1022 PolarHBondContact O-N 3.37Å; L1022-S1024 VanDerWaalsContact C-N 3.29Å; L1022-S1024 PolarHBondContact O-N 2.75Å; L1022-I1025 PolarHBondContact O-N 3.38Å; L1022-I1025 VanDerWaalsContact O-N 3.15Å; L1022-F1026 HydrophobicContact CB-CD2 4.48Å; L1022-F1026 HydrophobicContact CB-CE2 4.48Å; L1022-F1026 WeakPolarHBondContact O-CD2 3.35Å; L1022-F1026 PolarHBondContact O-N 2.91Å
1023	A	78.3	Confident	75.9	Confident	44 Å²	44	89.7 Å²	89.7	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-61	-37.6	176.2	0	0	0	0	0	112.2	S1019 V1020 L1021 F1026 S1027	S1019-A1023 VanDerWaalsContact O-CB 3.23Å; S1019-A1023 WeakPolarHBondContact O-CB 3.31Å; S1019-A1023 PolarHBondContact O-N 2.87Å; V1020-A1023 PolarHBondContact O-N 3.35Å; L1021-A1023 PolarHBondContact O-N 2.98Å; A1023-F1026 PolarHBondContact O-N 3.42Å; A1023-S1027 WeakPolarHBondContact O-CB 3.25Å; A1023-S1027 PolarHBondContact O-N 2.83Å; A1023-S1027 PolarHBondContact O-OG 2.84Å
1024	S	75.2	Confident	76.1	Confident	35 Å²	35	87 Å²	87	25%	0.245	44%	0.439	C	S	.	.	H	α-helix	trans	-65.5	-40.9	174.1	77.6	0	0	0	0	112	V1020 L1021 L1022 S1027 L1028	V1020-S1024 WeakPolarHBondContact O-CB 3.26Å; V1020-S1024 PolarHBondContact O-N 3.07Å; L1021-S1024 PolarHBondContact O-N 3.38Å; L1021-S1024 PolarHBondContact O-OG 2.71Å; L1022-S1024 VanDerWaalsContact C-N 3.29Å; L1022-S1024 PolarHBondContact O-N 2.75Å; S1024-S1027 PolarHBondContact O-N 3.43Å; S1024-L1028 WeakPolarHBondContact O-CB 3.43Å; S1024-L1028 VanDerWaalsContact O-CG 3.25Å; S1024-L1028 WeakPolarHBondContact O-CG 3.4Å; S1024-L1028 PolarHBondContact O-N 2.94Å
1025	I	82	Confident	75.4	Confident	88 Å²	88	87.8 Å²	87.8	45%	0.451	45%	0.45	S	S	.	.	H	α-helix	trans	-65.2	-46.6	175.7	-67	164.4	0	0	0	110.4	L1021 L1022 S1027 L1028 L1029	L1021-I1025 WeakPolarHBondContact O-CG1 3.23Å; L1021-I1025 PolarHBondContact O-N 3.33Å; L1022-I1025 PolarHBondContact O-N 3.38Å; L1022-I1025 VanDerWaalsContact O-N 3.15Å; I1025-S1027 VanDerWaalsContact C-N 3.31Å; I1025-S1027 PolarHBondContact O-N 3.5Å; I1025-L1028 PolarHBondContact O-N 3.15Å; I1025-L1029 HydrophobicContact CG2-CD1 3.91Å; I1025-L1029 HydrophobicContact CG2-CG 4.33Å; I1025-L1029 WeakPolarHBondContact O-CB 3.3Å; I1025-L1029 WeakPolarHBondContact O-CG 2.96Å; I1025-L1029 PolarHBondContact O-N 3.28Å
1026	F	83.3	Confident	74.6	Confident	143 Å²	143	92.4 Å²	92.4	63%	0.627	46%	0.464	S	S	*	.	H	α-helix	trans	-60.5	-40.5	176.2	-81.3	-65.7	0	0	0	112	L1022 A1023 L1029 W1030	L1022-F1026 HydrophobicContact CB-CD2 4.48Å; L1022-F1026 HydrophobicContact CB-CE2 4.48Å; L1022-F1026 WeakPolarHBondContact O-CD2 3.35Å; L1022-F1026 PolarHBondContact O-N 2.91Å; A1023-F1026 PolarHBondContact O-N 3.42Å; F1026-L1029 PolarHBondContact O-N 3.38Å; F1026-W1030 VanDerWaalsContact O-CB 3.31Å; F1026-W1030 WeakPolarHBondContact O-CB 3.31Å; F1026-W1030 PolarHBondContact O-N 2.91Å
1027	S	75.6	Confident	74.1	Confident	40 Å²	40	93.4 Å²	93.4	28%	0.28	47%	0.467	S	S	.	.	H	α-helix	trans	-66.2	-42.9	176.9	-58	0	0	0	0	111.6	V966 A1023 S1024 I1025 W1030 V1031	V966-S1027 WeakPolarHBondContact CG1-OG 3.23Å; A1023-S1027 WeakPolarHBondContact O-CB 3.25Å; A1023-S1027 PolarHBondContact O-N 2.83Å; A1023-S1027 PolarHBondContact O-OG 2.84Å; S1024-S1027 PolarHBondContact O-N 3.43Å; I1025-S1027 VanDerWaalsContact C-N 3.31Å; I1025-S1027 PolarHBondContact O-N 3.5Å; S1027-W1030 PolarHBondContact O-N 2.84Å; S1027-V1031 VanDerWaalsContact O-CG2 3.3Å; S1027-V1031 WeakPolarHBondContact O-CG2 3.45Å; S1027-V1031 PolarHBondContact O-N 3.1Å
1028	L	73.6	Confident	73	Confident	62 Å²	62	95 Å²	95	33%	0.325	48%	0.481	S	S	.	.	H	α-helix	trans	-63.6	-42.8	175.2	-73.4	169.8	0	0	0	112.2	I973 S1024 I1025 R1032	I973-L1028 HydrophobicContact CB-CD2 4.44Å; I973-L1028 HydrophobicContact CD1-CD2 3.71Å; I973-L1028 HydrophobicContact CG2-CD2 4.3Å; S1024-L1028 WeakPolarHBondContact O-CB 3.43Å; S1024-L1028 VanDerWaalsContact O-CG 3.25Å; S1024-L1028 WeakPolarHBondContact O-CG 3.4Å; S1024-L1028 PolarHBondContact O-N 2.94Å; I1025-L1028 PolarHBondContact O-N 3.15Å; L1028-R1032 WeakPolarHBondContact O-CB 3.39Å; L1028-R1032 PolarHBondContact O-N 3.49Å; L1028-R1032 VanDerWaalsContact O-N 3.09Å
1029	L	81.2	Confident	71.8	Confident	83 Å²	83	97 Å²	97	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-63	-46.1	175.4	-75.6	172.4	0	0	0	111	I1025 F1026 V1031 R1032 I1033	I1025-L1029 HydrophobicContact CG2-CD1 3.91Å; I1025-L1029 HydrophobicContact CG2-CG 4.33Å; I1025-L1029 WeakPolarHBondContact O-CB 3.3Å; I1025-L1029 WeakPolarHBondContact O-CG 2.96Å; I1025-L1029 PolarHBondContact O-N 3.28Å; F1026-L1029 PolarHBondContact O-N 3.38Å; L1029-V1031 PolarHBondContact O-N 2.83Å; L1029-R1032 PolarHBondContact O-N 2.97Å; L1029-I1033 HydrophobicContact CB-CD1 4.38Å; L1029-I1033 WeakPolarHBondContact O-CB 3.32Å; L1029-I1033 WeakPolarHBondContact O-CD1 3.17Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.13Å; L1029-I1033 PolarHBondContact O-N 2.84Å
1030	W	79.1	Confident	70.6	Confident	174 Å²	174	99.3 Å²	99.3	66%	0.659	50%	0.5	S	S	*	.	H	α-helix	trans	-56.3	-53	177.1	-174.6	-83.8	0	0	0	110.8	F1026 S1027 R1032 I1033 D1034	F1026-W1030 VanDerWaalsContact O-CB 3.31Å; F1026-W1030 WeakPolarHBondContact O-CB 3.31Å; F1026-W1030 PolarHBondContact O-N 2.91Å; S1027-W1030 PolarHBondContact O-N 2.84Å; W1030-R1032 PolarHBondContact O-N 3.07Å; W1030-I1033 PolarHBondContact O-N 3.45Å; W1030-I1033 VanDerWaalsContact O-N 3.15Å; W1030-D1034 PolarHBondContact NE1-OD2 2.8Å; W1030-D1034 WeakPolarHBondContact O-CB 3.47Å; W1030-D1034 PolarHBondContact O-N 2.94Å
1031	V	70.7	Confident	69.4	Low	33 Å²	33	105.6 Å²	105.6	20%	0.2	52%	0.522	C	S	.	.	H	α-helix	trans	-62.9	-29	-179.1	178.1	0	0	0	0	112.4	N974 S1027 L1029 I1037	N974-V1031 WeakPolarHBondContact ND2-CG1 3.48Å; S1027-V1031 VanDerWaalsContact O-CG2 3.3Å; S1027-V1031 WeakPolarHBondContact O-CG2 3.45Å; S1027-V1031 PolarHBondContact O-N 3.1Å; L1029-V1031 PolarHBondContact O-N 2.83Å; V1031-I1037 HydrophobicContact CB-CD1 4.11Å; V1031-I1037 HydrophobicContact CG1-CD1 3.66Å; V1031-I1037 HydrophobicContact CG2-CD1 4.21Å
1032	R	72.7	Confident	68.3	Low	185 Å²	185	104.6 Å²	104.6	70%	0.698	53%	0.53	S	S	*	.	H	α-helix	trans	-77.1	-35	176.9	-134.2	-171.6	-173.3	109.1	0.1	113.4	L1028 L1029 W1030	L1028-R1032 WeakPolarHBondContact O-CB 3.39Å; L1028-R1032 PolarHBondContact O-N 3.49Å; L1028-R1032 VanDerWaalsContact O-N 3.09Å; L1029-R1032 PolarHBondContact O-N 2.97Å; W1030-R1032 PolarHBondContact O-N 3.07Å
1033	I	76.6	Confident	66.9	Low	127 Å²	127	105.1 Å²	105.1	65%	0.651	54%	0.539	S	S	*	.	H	α-helix	trans	-86.6	-35.3	-175.8	-65.9	166.7	0	0	0	111.2	L1029 W1030 P1035	L1029-I1033 HydrophobicContact CB-CD1 4.38Å; L1029-I1033 WeakPolarHBondContact O-CB 3.32Å; L1029-I1033 WeakPolarHBondContact O-CD1 3.17Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.13Å; L1029-I1033 PolarHBondContact O-N 2.84Å; W1030-I1033 PolarHBondContact O-N 3.45Å; W1030-I1033 VanDerWaalsContact O-N 3.15Å; I1033-P1035 WeakPolarHBondContact O-CD 3.21Å; I1033-P1035 VanDerWaalsContact O-N 3.13Å
1034	D	66.7	Low	65.8	Low	35 Å²	35	107.6 Å²	107.6	19%	0.187	55%	0.546	C	S	.	.			trans	-62.8	110.8	-172.6	-167.8	-16	0	0	0	111.1	W1030 F1036 I1037	W1030-D1034 PolarHBondContact NE1-OD2 2.8Å; W1030-D1034 WeakPolarHBondContact O-CB 3.47Å; W1030-D1034 PolarHBondContact O-N 2.94Å; D1034-F1036 PolarHBondContact O-N 3.15Å; D1034-F1036 WeakPolarHBondContact OD1-CB 3.23Å; D1034-F1036 VanDerWaalsContact OD1-CD2 3.23Å; D1034-F1036 WeakPolarHBondContact OD1-CD2 3.38Å; D1034-F1036 PolarHBondContact OD1-N 3.2Å; D1034-I1037 HydrophobicContact CB-CD1 4.13Å; D1034-I1037 HydrophobicContact CB-CG1 4.29Å
1035	P	56.1	Low	65.1	Low	108 Å²	108	110.8 Å²	110.8	70%	0.701	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-8.7	-178.6	30.6	-33.6	0	0	0	113	I1033	I1033-P1035 WeakPolarHBondContact O-CD 3.21Å; I1033-P1035 VanDerWaalsContact O-N 3.13Å
1036	F	57.2	Low	64.1	Low	180 Å²	180	117.5 Å²	117.5	79%	0.789	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-3.9	-176.6	-60.5	-70.7	0	0	0	114.1	D1034 V1038	D1034-F1036 PolarHBondContact O-N 3.15Å; D1034-F1036 WeakPolarHBondContact OD1-CB 3.23Å; D1034-F1036 VanDerWaalsContact OD1-CD2 3.23Å; D1034-F1036 WeakPolarHBondContact OD1-CD2 3.38Å; D1034-F1036 PolarHBondContact OD1-N 3.2Å; F1036-V1038 PolarHBondContact O-N 3.08Å
1037	I	57.5	Low	62.9	Low	72 Å²	72	118.6 Å²	118.6	37%	0.369	59%	0.59	S	S	.	*	S	Bend	trans	-83	116.5	175.3	-59.4	177.8	0	0	0	108.7	V1031 D1034 R1039	V1031-I1037 HydrophobicContact CB-CD1 4.11Å; V1031-I1037 HydrophobicContact CG1-CD1 3.66Å; V1031-I1037 HydrophobicContact CG2-CD1 4.21Å; D1034-I1037 HydrophobicContact CB-CD1 4.13Å; D1034-I1037 HydrophobicContact CB-CG1 4.29Å; I1037-R1039 PolarHBondContact O-N 3.09Å
1038	V	52.3	Low	62.3	Low	129 Å²	129	119.8 Å²	119.8	78%	0.782	60%	0.598	S	S	*	*			trans	-61.1	97.3	176.9	-179.6	0	0	0	0	108.7	F1036 T1040	F1036-V1038 PolarHBondContact O-N 3.08Å; V1038-T1040 PolarHBondContact O-N 3.18Å; V1038-T1040 VanDerWaalsContact O-N 3.07Å
1039	R	54.3	Low	61.5	Low	198 Å²	198	120.4 Å²	120.4	75%	0.747	62%	0.619	S	S	*	*			trans	-65.1	109.6	168.4	-66.1	-173.5	-178.3	-177.8	2.1	107.2	I1037 K1041	I1037-R1039 PolarHBondContact O-N 3.09Å; R1039-K1041 VanDerWaalsContact C-N 3.31Å; R1039-K1041 PolarHBondContact O-N 2.93Å
1040	T	51.5	Low	60.4	Low	112 Å²	112	121.7 Å²	121.7	69%	0.687	63%	0.625	S	S	*	*			trans	-61.2	97.6	167.7	46.2	0	0	0	0	108	V1038 G1042	V1038-T1040 PolarHBondContact O-N 3.18Å; V1038-T1040 VanDerWaalsContact O-N 3.07Å; T1040-G1042 PolarHBondContact O-N 3.21Å; T1040-G1042 VanDerWaalsContact O-N 3.1Å
1041	K	49.4	Very low	59.1	Low	202 Å²	202	121.5 Å²	121.5	88%	0.878	64%	0.637	S	S	*	*			trans	-62.7	111.1	162.9	-94	-177.9	174	179.5	0	105.9	R1039	R1039-K1041 VanDerWaalsContact C-N 3.31Å; R1039-K1041 PolarHBondContact O-N 2.93Å
1042	G	58.3	Low	58.3	Low	56 Å²	56	128.6 Å²	128.6	58%	0.577	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-52.4	156.8	165.3	0	0	0	0	0	110.1	T1040 D1044	T1040-G1042 PolarHBondContact O-N 3.21Å; T1040-G1042 VanDerWaalsContact O-N 3.1Å; G1042-D1044 PolarHBondContact O-N 3.27Å
1043	P	54.3	Low	57.6	Low	101 Å²	101	125.8 Å²	125.8	66%	0.656	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.9	139.6	178.5	24.9	-33.2	0	0	0	109.5	V1045	P1043-V1045 PolarHBondContact O-N 2.98Å
1044	D	54.4	Low	56.6	Low	97 Å²	97	125.7 Å²	125.7	52%	0.519	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-58	117.2	-178.9	-161.7	-13.4	0	0	0	108.4	G1042 R1046 Q1047 C1048	G1042-D1044 PolarHBondContact O-N 3.27Å; D1044-R1046 PolarHBondContact O-N 3.49Å; D1044-Q1047 HydrophobicContact CB-CG 4.3Å; D1044-Q1047 WeakPolarHBondContact O-CB 3.48Å; D1044-Q1047 PolarHBondContact O-N 2.79Å; D1044-C1048 PolarHBondContact O-N 2.97Å
1045	V	61.2	Low	56	Low	101 Å²	101	130.8 Å²	130.8	61%	0.612	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-23.7	-170.4	-160.1	0	0	0	0	111	P1043	P1043-V1045 PolarHBondContact O-N 2.98Å
1046	R	60.5	Low	56	Low	230 Å²	230	132.1 Å²	132.1	87%	0.868	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-26.2	173.9	-66.6	-176.1	175.5	-176	-0.7	114.3	D1044	D1044-R1046 PolarHBondContact O-N 3.49Å
1047	Q	58.8	Low	56	Low	165 Å²	165	129.1 Å²	129.1	77%	0.771	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-20.9	177.4	-73	-177.2	-11.6	0	0	113.1	D1044 G1049	D1044-Q1047 HydrophobicContact CB-CG 4.3Å; D1044-Q1047 WeakPolarHBondContact O-CB 3.48Å; D1044-Q1047 PolarHBondContact O-N 2.79Å; Q1047-G1049 VanDerWaalsContact C-N 3.35Å
1048	C	61.2	Low	55.9	Low	65 Å²	65	132.9 Å²	132.9	44%	0.439	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-5.9	-178.1	-67	0	0	0	0	114.2	D1044 I1050	D1044-C1048 PolarHBondContact O-N 2.97Å; C1048-I1050 WeakPolarHBondContact O-CG1 3.2Å; C1048-I1050 PolarHBondContact O-N 3.4Å; C1048-I1050 VanDerWaalsContact O-N 3.08Å
1049	G	58.3	Low	56.1	Low	75 Å²	75	133.2 Å²	133.2	77%	0.773	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.8	13.4	175.8	0	0	0	0	0	115.3	Q1047	Q1047-G1049 VanDerWaalsContact C-N 3.35Å
1050	I	57	Low	56.2	Low	111 Å²	111	128.2 Å²	128.2	57%	0.569	73%	0.73	S	S	*	*			trans	-103	109.8	179.7	-60.3	164	0	0	0	107.7	C1048 C1052	C1048-I1050 WeakPolarHBondContact O-CG1 3.2Å; C1048-I1050 PolarHBondContact O-N 3.4Å; C1048-I1050 VanDerWaalsContact O-N 3.08Å; I1050-C1052 PolarHBondContact O-N 3.07Å
1051	N	53	Low	56.6	Low	170 Å²	170	129.6 Å²	129.6	91%	0.909	73%	0.733	S	S	*	*			trans	-72.3	100.6	160.5	-88.9	-19.3	0	0	0	107.4
1052	C	53.4	Low	57.3	Low	182 Å²	182	123 Å²	123	100%	1.23	72%	0.72	S	S	*	*			trans	-81.8	0	163.5	-77.1	0	0	0	0	110.5	I1050	I1050-C1052 PolarHBondContact O-N 3.07Å

Retrieved 1,052 of 1,052 residues in 853.3 ms (Link to these results)

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