A0A3Q0KRP2_SCHMA Loading...

Mitochondrial DNA polymerase catalytic subunit

AlphaFold DB (A0A5K4EUB4), UniProt , Accession A0A3Q0KRP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,218 aa.

						>A0A3Q0KRP2_SCHMA|A0A3Q0KRP2
MYSRFVIYWRNQGIFLQHRLCFYSSNHPNQSPTYNEVNILMIDRNLQKALFNCQKYDYQKASFEVLQEFCRLGIDITSNRHYKDPLYFSIPDLSGSNVKEHLDSVAKELSHPYMKLLESFGSPPELPKIWESSSGWTKYNGDKTYSVEAPLEDALIFDTEVLVKEGHVPTMAVALTSDGWYSWTSKRLSVYDDNYSNDINAFNSLIPIYGSKNKDISKCVIGHFVSYDRARILEEYLLDGTGLRFVDTLSLHVAVSGLTSTQRFLKTSADKHLFNNKTWQEFIGRKNDKQPLGGKPSTEALVMDLDWLSETSLNSLPDIYRLYCKKEPPQDKQLRSIFESGTIEDVRTNFQELFNYCAVDVLMTYEIIQVLWPIFKERFPHPATFCGLLEMSSMYLPINDNWIKFQEKAESSYTENILRQKKLLMQLADQALAKYSNSQEYKNDPWLWDLDWSKPKVKCKTEVDEKVSRLPKWYRDLIPKPVKDNLDSGPALLTAQMRIAPKLLKLCWQGLPLHYDQVLKWGVLIPGRIPQPYGDPRYYIESFKNTENTECIDSNDAENFSTNSNVVCHYDSSIRPIIPVVKSTAAGDETLDFPYGAYLNYWLADVKRRLLADFQLNESTSSCDNFSDSLAVAYSHRIKPDIRDANLLDELKRSIEIMPLEKEERQRLASTISTIRKLGEQKRFQMDSKLQKIKNNNHNELIFEKVGELQAQGSAFWLNSNRFDQNSSNYSNYRRRNAVRYAVDTVNPVIPTCWFKHLPHESGTGLPVGSPLSRSFQSHIASHRLHSADFNPNDTISANTDTIKLKPVMGLADRLLHDRVHATFWQSYSKRIKSQMAIWLPHDQLPKNVLNDQSYNCKANYGAILPQVITCGTVSRRAVEPLWLTASNADENRLGSEIKAMVQSPPGYVFVGADVDSQEMWIAALIGDAGVGFQGSTPYGWMTLQGNKLDGTDLHTKIAKEMGIKRSESKVLNYSRLYGSGIEFASHLLAKFCNITPEQASLKAKQLFQITKGRRTIVDSFPSDDGTSISTSKWQGGSESAVFNQLESIARSPEPRTPFLNAQLTRALNPKLVKDDFLPSRVNWVVQSSAVDYLHCMLVLMRWLINKFKIPARLCISIHDELRYICPKSHMYQVALALQISNLLTRTFFVYQLGMRDLPESVAFFSSVEVDTCIRKEAKDDCVTPSNSSGLQNGYGVSPGQSLTMQDILDKTGGSMKL
					

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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	30.9	Very low	25.3	Very low	234 Å²	234	196.7 Å²	196.7	100%	1.153	89%	0.893	S	S	*	*				0	111.6	0	-71.5	-178.3	-156	0	0	106.9
2	Y	28.7	Very low	25.3	Very low	224 Å²	224	193.7 Å²	193.7	88%	0.878	88%	0.88	S	S	*	*			cis	-136.3	108.9	4.1	-105.7	-101.1	0	0	0	105.8
3	S	22.3	Very low	25.1	Very low	119 Å²	119	184.7 Å²	184.7	83%	0.832	87%	0.874	S	S	*	*			trans	-100.4	107.9	165.7	167	0	0	0	0	105.7
4	R	26.1	Very low	25	Very low	223 Å²	223	180.1 Å²	180.1	84%	0.842	86%	0.856	S	S	*	*			trans	168.9	90.2	164.8	-98.6	172.5	-174.5	-163.5	1.9	108.1
5	F	27	Very low	24.9	Very low	214 Å²	214	180.9 Å²	180.9	94%	0.939	85%	0.854	S	S	*	*			trans	179.5	63.7	151.8	-99.4	-68.7	0	0	0	109.3
6	V	23.2	Very low	24.9	Very low	144 Å²	144	177.6 Å²	177.6	87%	0.873	84%	0.843	S	S	*	*			trans	-142.2	60.7	168.8	-171.2	0	0	0	0	109.4
7	I	24.4	Very low	24.8	Very low	161 Å²	161	176.2 Å²	176.2	83%	0.826	84%	0.836	S	S	*	*			trans	-155.8	86	161	-52.3	-179.5	0	0	0	107.5
8	Y	23.7	Very low	24.9	Very low	217 Å²	217	174.4 Å²	174.4	85%	0.851	83%	0.826	S	S	*	*	S	Bend	trans	-178.2	135.4	151.6	-116.4	-88.5	0	0	0	106
9	W	24.7	Very low	25	Very low	228 Å²	228	176.2 Å²	176.2	86%	0.864	82%	0.824	S	S	*	*			trans	93.6	52.5	-168.4	-59.2	91.7	0	0	0	116.7
10	R	21.8	Very low	25.1	Very low	240 Å²	240	173.9 Å²	173.9	91%	0.906	82%	0.817	S	S	*	*			trans	-118.2	83.2	152.4	-121.4	-176	-179.7	171.9	-0.1	106.8
11	N	25.7	Very low	25.1	Very low	160 Å²	160	170.2 Å²	170.2	86%	0.856	81%	0.809	S	S	*	*			trans	-174.8	37.2	163.9	-99.4	-6.6	0	0	0	114.7
12	Q	25.2	Very low	25	Very low	160 Å²	160	167.2 Å²	167.2	75%	0.748	79%	0.79	S	S	*	*			trans	-140.5	78.2	157.8	-75.2	-149.9	5.9	0	0	109.5	I14	Q12-I14 PolarHBondContact O-N 3.18Å
13	G	22.3	Very low	25.5	Very low	77 Å²	77	161.7 Å²	161.7	79%	0.794	77%	0.768	S	S	*	*			trans	-89	73.8	169	0	0	0	0	0	110
14	I	24.4	Very low	26	Very low	121 Å²	121	159.5 Å²	159.5	62%	0.621	75%	0.753	S	S	*	*			trans	-99.4	97	155.1	-66.3	174.6	0	0	0	105	Q12 L16	Q12-I14 PolarHBondContact O-N 3.18Å; I14-L16 HydrophobicContact CG2-CG 4.47Å; I14-L16 PolarHBondContact O-N 3.41Å
15	F	23.6	Very low	26.7	Very low	191 Å²	191	153.2 Å²	153.2	84%	0.838	74%	0.743	S	S	*	*			trans	-66.7	84.7	170	-115.4	-93.8	0	0	0	108	Q17	F15-Q17 PolarHBondContact O-N 3.42Å
16	L	24.1	Very low	27.3	Very low	129 Å²	129	149.8 Å²	149.8	68%	0.675	74%	0.735	S	S	*	*			trans	-73.4	84.9	156	-95.6	155.1	0	0	0	106.5	I14 H18	I14-L16 HydrophobicContact CG2-CG 4.47Å; I14-L16 PolarHBondContact O-N 3.41Å; L16-H18 PolarHBondContact O-N 3.2Å
17	Q	24	Very low	28.6	Very low	154 Å²	154	147.6 Å²	147.6	72%	0.72	72%	0.715	S	S	*	*			trans	-70	83.8	163.2	-154.2	173.9	20	0	0	106.3	F15 R19	F15-Q17 PolarHBondContact O-N 3.42Å; Q17-R19 PolarHBondContact O-N 3.24Å
18	H	26.6	Very low	29.9	Very low	143 Å²	143	145.3 Å²	145.3	66%	0.662	71%	0.711	S	S	*	*			trans	-60.4	84.5	164.1	-95	-82.1	0	0	0	107.5	L16 L20	L16-H18 PolarHBondContact O-N 3.2Å; H18-L20 PolarHBondContact O-N 3.28Å
19	R	25.7	Very low	31.5	Very low	208 Å²	208	141.6 Å²	141.6	79%	0.785	71%	0.706	S	S	*	*			trans	-66.3	89.2	149.6	-86.8	-173	176.2	-174.8	-0.5	105.5	Q17 C21	Q17-R19 PolarHBondContact O-N 3.24Å; R19-C21 PolarHBondContact O-N 2.6Å
20	L	27.1	Very low	33.7	Very low	130 Å²	130	133.3 Å²	133.3	68%	0.681	68%	0.676	S	S	*	*			trans	-59.9	77.8	149.3	-78	156.2	0	0	0	106.2	H18 F22	H18-L20 PolarHBondContact O-N 3.28Å; L20-F22 HydrophobicContact CB-CD2 4.31Å; L20-F22 HydrophobicContact CB-CE2 4.29Å; L20-F22 PolarHBondContact O-N 3.28Å
21	C	26.2	Very low	36.4	Very low	97 Å²	97	125.8 Å²	125.8	66%	0.655	66%	0.661	S	S	*	*			trans	-65.8	89.2	152.6	-81	0	0	0	0	104.1	R19 Y23	R19-C21 PolarHBondContact O-N 2.6Å; C21-Y23 PolarHBondContact O-N 3.29Å
22	F	28.3	Very low	39.3	Very low	172 Å²	172	119 Å²	119	75%	0.754	63%	0.625	S	S	*	*			trans	-47.5	116.7	157.1	-83.5	-90.4	0	0	0	105.6	L20 S24	L20-F22 HydrophobicContact CB-CD2 4.31Å; L20-F22 HydrophobicContact CB-CE2 4.29Å; L20-F22 PolarHBondContact O-N 3.28Å; F22-S24 PolarHBondContact O-N 2.79Å
23	Y	38.6	Very low	42.4	Very low	107 Å²	107	112.1 Å²	112.1	42%	0.42	59%	0.594	S	S	.	*			trans	-53.6	95.3	159.4	-119.1	-82.1	0	0	0	105.1	C21 S25 G1213 G1214	C21-Y23 PolarHBondContact O-N 3.29Å; Y23-S25 PolarHBondContact O-N 3.08Å; Y23-G1213 WeakPolarHBondContact CE2-O 3.16Å; Y23-G1213 VanDerWaalsContact CZ-O 3.3Å; Y23-G1213 PolarHBondContact OH-O 3.29Å; Y23-G1214 VanDerWaalsContact OH-CA 3.29Å; Y23-G1214 WeakPolarHBondContact OH-CA 3.27Å
24	S	34.1	Very low	45.6	Very low	73 Å²	73	111.4 Å²	111.4	51%	0.51	57%	0.568	S	S	.	*			trans	-67.5	98.8	160.9	121	0	0	0	0	102.7	F22 N26	F22-S24 PolarHBondContact O-N 2.79Å; S24-N26 PolarHBondContact O-N 2.65Å; S24-N26 WeakPolarHBondContact OG-CB 3.49Å; S24-N26 PolarHBondContact OG-ND2 3.32Å; S24-N26 VanDerWaalsContact OG-ND2 3.13Å
25	S	40.3	Very low	48.8	Very low	91 Å²	91	106.1 Å²	106.1	64%	0.636	54%	0.541	S	S	*	.			trans	-62.2	55.8	162.9	45.7	0	0	0	0	109.8	Y23 H27	Y23-S25 PolarHBondContact O-N 3.08Å; S25-H27 PolarHBondContact O-N 3.28Å; S25-H27 VanDerWaalsContact O-N 3.15Å
26	N	39.8	Very low	52.1	Low	142 Å²	142	98.6 Å²	98.6	76%	0.759	51%	0.508	S	S	*	.			trans	-75.8	13.9	168.9	-86.5	-10.3	0	0	0	111.3	S24	S24-N26 PolarHBondContact O-N 2.65Å; S24-N26 WeakPolarHBondContact OG-CB 3.49Å; S24-N26 PolarHBondContact OG-ND2 3.32Å; S24-N26 VanDerWaalsContact OG-ND2 3.13Å
27	H	50.9	Low	55.3	Low	98 Å²	98	92.4 Å²	92.4	45%	0.454	48%	0.476	S	S	.	.	S	Bend	trans	-86.6	129.5	166.6	-74.5	-62.2	0	0	0	108.6	S25 N29 Y87	S25-H27 PolarHBondContact O-N 3.28Å; S25-H27 VanDerWaalsContact O-N 3.15Å; H27-N29 PolarHBondContact O-N 3.46Å; H27-N29 VanDerWaalsContact O-N 3.07Å; H27-Y87 AromaticContact CD2-CD1 3.79Å; H27-Y87 AromaticContact CD2-CE1 3.49Å; H27-Y87 VanDerWaalsContact CD2-CE1 3.49Å; H27-Y87 WeakPolarHBondContact CD2-CE1 3.4Å; H27-Y87 AromaticContact CE1-CE1 3.86Å; H27-Y87 AromaticContact CG-CE1 3.93Å; H27-Y87 AromaticContact NE2-CE1 3.46Å; H27-Y87 WeakPolarHBondContact NE2-CE1 3.29Å
28	P	51.9	Low	58.5	Low	113 Å²	113	87.2 Å²	87.2	73%	0.734	45%	0.453	S	S	*	.			trans	-57.3	120.4	178.7	23.1	-30.6	0	0	0	107.9	Q30	P28-Q30 PolarHBondContact O-N 3.01Å
29	N	56.3	Low	61.5	Low	140 Å²	140	80.4 Å²	80.4	75%	0.749	42%	0.422	S	S	*	.			trans	-50.5	102.5	175	-92.3	-2.8	0	0	0	108.3	H27	H27-N29 PolarHBondContact O-N 3.46Å; H27-N29 VanDerWaalsContact O-N 3.07Å
30	Q	70.1	Confident	64.6	Low	53 Å²	53	71.6 Å²	71.6	25%	0.248	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-83.7	130.3	179.2	-138.9	178.6	31.2	0	0	107.4	P28 D43 R44	P28-Q30 PolarHBondContact O-N 3.01Å; Q30-D43 PolarHBondContact OE1-OD2 3.22Å; Q30-R44 VanDerWaalsContact OE1-CB 3.25Å
31	S	79.3	Confident	67.7	Low	83 Å²	83	65.7 Å²	65.7	58%	0.58	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-61.9	139.8	177.5	49.3	0	0	0	0	110.7	T33	S31-T33 PolarHBondContact O-N 2.92Å
32	P	87.1	Confident	70.9	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.104	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-58.3	137.9	177.3	23.4	-32.5	0	0	0	110.6	Y34 L40 Y82 P85	P32-Y34 HydrophobicContact CB-CE2 3.94Å; P32-Y34 HydrophobicContact CG-CE2 4.07Å; P32-L40 HydrophobicContact CB-CD1 3.51Å; P32-Y82 WeakPolarHBondContact CD-OH 3.45Å; P32-Y82 HydrophobicContact CG-CD2 3.66Å; P32-Y82 HydrophobicContact CG-CE1 4.35Å; P32-Y82 HydrophobicContact CG-CE2 3.17Å; P32-Y82 HydrophobicContact CG-CG 4.43Å; P32-P85 HydrophobicContact CB-CG 4.15Å
33	T	89.9	Confident	74	Confident	17 Å²	17	53.5 Å²	53.5	10%	0.104	30%	0.295	C	S	.	.			trans	-106.5	129.2	-179.7	-55.4	0	0	0	0	108.9	S31 M41 Y58	S31-T33 PolarHBondContact O-N 2.92Å; T33-M41 PolarHBondContact O-N 3.4Å; T33-Y58 HydrophobicContact CG2-CD2 3.87Å; T33-Y58 HydrophobicContact CG2-CE2 3.51Å
34	Y	89.7	Confident	76.5	Confident	61 Å²	61	48.4 Å²	48.4	24%	0.239	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-112.9	144.7	178.3	-62.6	-92.9	0	0	0	110.3	P32 N38 I39 L40 Y58	P32-Y34 HydrophobicContact CB-CE2 3.94Å; P32-Y34 HydrophobicContact CG-CE2 4.07Å; Y34-N38 WeakPolarHBondContact CD1-OD1 3.17Å; Y34-I39 VanDerWaalsContact CA-O 3.28Å; Y34-I39 WeakPolarHBondContact CA-O 3.33Å; Y34-L40 HydrophobicContact CD1-CB 4.18Å; Y34-L40 HydrophobicContact CE1-CB 3.88Å; Y34-L40 HydrophobicContact CE1-CD1 4.09Å; Y34-L40 HydrophobicContact CE2-CD1 4.5Å; Y34-Y58 VanDerWaalsContact O-CD2 3.22Å; Y34-Y58 WeakPolarHBondContact O-CD2 3.27Å
35	N	92.1	Very high	79.2	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.059	27%	0.267	C	S	.	.			trans	-80.6	-172.4	178.4	78.9	-7.9	0	0	0	113.3	V37 N38 I39 M41 Y58 Q934	N35-V37 PolarHBondContact O-N 3.48Å; N35-V37 WeakPolarHBondContact OD1-CG2 3.29Å; N35-V37 PolarHBondContact OD1-N 3.14Å; N35-V37 VanDerWaalsContact OD1-N 3.09Å; N35-N38 PolarHBondContact O-N 3.41Å; N35-N38 VanDerWaalsContact O-N 3.1Å; N35-N38 PolarHBondContact OD1-N 3.08Å; N35-I39 PolarHBondContact N-O 2.76Å; N35-I39 WeakPolarHBondContact OD1-CB 3.27Å; N35-I39 PolarHBondContact OD1-N 2.56Å; N35-M41 HydrophobicContact CB-CG 4.08Å; N35-M41 HydrophobicContact CB-SD 3.8Å; N35-Y58 HydrophobicContact CB-CD1 3.88Å; N35-Y58 HydrophobicContact CB-CE1 4.02Å; N35-Y58 HydrophobicContact CB-CG 4.39Å; N35-Q934 PolarHBondContact ND2-O 3.07Å
36	E	92.4	Very high	81.7	Confident	32 Å²	32	43.7 Å²	43.7	15%	0.15	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.8	-177.1	-60.5	84.1	-179.3	0	0	114.4	K55 Y58 Q59 A61 F933	E36-K55 IonicContact OE1-NZ 2.73Å; E36-K55 PolarHBondContact OE1-NZ 3.05Å; E36-Y58 HydrophobicContact CG-CD1 4.45Å; E36-Y58 WeakPolarHBondContact OE1-CD1 3.48Å; E36-Y58 WeakPolarHBondContact OE2-CD1 3.38Å; E36-Q59 WeakPolarHBondContact CA-O 3.37Å; E36-Q59 WeakPolarHBondContact CB-O 3.49Å; E36-Q59 WeakPolarHBondContact CG-O 3.34Å; E36-A61 HydrophobicContact CB-CB 4.4Å; E36-F933 HydrophobicContact CB-CD2 4.17Å; E36-F933 HydrophobicContact CB-CE1 4.39Å; E36-F933 HydrophobicContact CB-CE2 3.78Å; E36-F933 HydrophobicContact CB-CZ 3.89Å; E36-F933 HydrophobicContact CG-CD1 4.49Å; E36-F933 HydrophobicContact CG-CD2 4.47Å; E36-F933 HydrophobicContact CG-CE1 4.47Å; E36-F933 HydrophobicContact CG-CE2 4.46Å; E36-F933 HydrophobicContact CG-CG 4.49Å; E36-F933 HydrophobicContact CG-CZ 4.45Å; E36-F933 WeakPolarHBondContact OE2-CD2 3.45Å
37	V	91.2	Very high	84.3	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	25.6	-177.3	-68.1	0	0	0	0	112.6	N35 I39 A61 V65 F69 F933 W941	N35-V37 PolarHBondContact O-N 3.48Å; N35-V37 WeakPolarHBondContact OD1-CG2 3.29Å; N35-V37 PolarHBondContact OD1-N 3.14Å; N35-V37 VanDerWaalsContact OD1-N 3.09Å; V37-I39 HydrophobicContact CG2-CD1 3.82Å; V37-I39 HydrophobicContact CG2-CG1 4.08Å; V37-I39 PolarHBondContact O-N 3.38Å; V37-A61 HydrophobicContact CG1-CB 4.07Å; V37-V65 HydrophobicContact CG1-CG1 4.43Å; V37-F69 HydrophobicContact CG1-CE2 3.99Å; V37-F933 HydrophobicContact CB-CE2 4.47Å; V37-F933 HydrophobicContact CG1-CE2 3.77Å; V37-F933 HydrophobicContact CG1-CZ 4.12Å; V37-F933 HydrophobicContact CG2-CE2 3.96Å; V37-W941 PolarHBondContact O-NE1 3.33Å
38	N	89.8	Confident	86.3	Confident	44 Å²	44	37.6 Å²	37.6	24%	0.235	20%	0.203	C	C	.	.	S	Bend	trans	61.7	40	172.8	-162.1	26.1	0	0	0	114.2	Y34 N35 I76 S78 R80	Y34-N38 WeakPolarHBondContact CD1-OD1 3.17Å; N35-N38 PolarHBondContact O-N 3.41Å; N35-N38 VanDerWaalsContact O-N 3.1Å; N35-N38 PolarHBondContact OD1-N 3.08Å; N38-I76 WeakPolarHBondContact CB-O 3.41Å; N38-I76 PolarHBondContact ND2-O 2.67Å; N38-S78 PolarHBondContact ND2-O 2.66Å; N38-R80 PolarHBondContact O-NE 3.13Å
39	I	90.5	Very high	88.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-100	133.1	170.7	-61.9	172.8	0	0	0	108.9	Y34 N35 V37 M41 L944 Q945 P1159	Y34-I39 VanDerWaalsContact CA-O 3.28Å; Y34-I39 WeakPolarHBondContact CA-O 3.33Å; N35-I39 PolarHBondContact N-O 2.76Å; N35-I39 WeakPolarHBondContact OD1-CB 3.27Å; N35-I39 PolarHBondContact OD1-N 2.56Å; V37-I39 HydrophobicContact CG2-CD1 3.82Å; V37-I39 HydrophobicContact CG2-CG1 4.08Å; V37-I39 PolarHBondContact O-N 3.38Å; I39-M41 PolarHBondContact O-N 3.3Å; I39-L944 HydrophobicContact CD1-CB 4.15Å; I39-L944 HydrophobicContact CD1-CD1 3.98Å; I39-Q945 HydrophobicContact CG1-CB 4.33Å; I39-Q945 HydrophobicContact CG1-CG 4.44Å; I39-P1159 HydrophobicContact CG2-CB 3.73Å; I39-P1159 HydrophobicContact CG2-CG 4.16Å
40	L	90.9	Very high	90.1	Very high	24 Å²	24	27.5 Å²	27.5	13%	0.126	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-68.9	126.2	179	-179.9	62.8	0	0	0	110.9	P32 Y34 K83 P1159 E1160	P32-L40 HydrophobicContact CB-CD1 3.51Å; Y34-L40 HydrophobicContact CD1-CB 4.18Å; Y34-L40 HydrophobicContact CE1-CB 3.88Å; Y34-L40 HydrophobicContact CE1-CD1 4.09Å; Y34-L40 HydrophobicContact CE2-CD1 4.5Å; L40-K83 HydrophobicContact CD2-CB 4.34Å; L40-P1159 CarbonylContact O-C 3.52Å; L40-P1159 WeakPolarHBondContact O-CA 3.31Å; L40-E1160 HydrophobicContact CD2-CB 4.38Å; L40-E1160 VanDerWaalsContact CD2-OE2 3.32Å; L40-E1160 WeakPolarHBondContact CD2-OE2 3.41Å; L40-E1160 HydrophobicContact CG-CB 4.24Å; L40-E1160 PolarHBondContact O-N 3.29Å
41	M	93.1	Very high	91.3	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.025	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-99.8	159.2	179.4	-52.5	-54.7	-72.7	0	0	111.2	T33 N35 I39 D1157 L1158 P1159	T33-M41 PolarHBondContact O-N 3.4Å; N35-M41 HydrophobicContact CB-CG 4.08Å; N35-M41 HydrophobicContact CB-SD 3.8Å; I39-M41 PolarHBondContact O-N 3.3Å; M41-D1157 WeakPolarHBondContact CB-OD2 3.38Å; M41-D1157 HydrophobicContact CE-CB 3.56Å; M41-D1157 WeakPolarHBondContact CE-OD2 3.47Å; M41-L1158 VanDerWaalsContact CE-C 3.45Å; M41-P1159 HydrophobicContact CE-CG 4.32Å; M41-P1159 HydrophobicContact SD-CB 4.38Å; M41-P1159 HydrophobicContact SD-CG 4.2Å
42	I	93.4	Very high	92	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-59.5	165.3	178.1	56.9	169.1	0	0	0	113.4	R44 L46 Q47 L50 F51 D1157 L1158 A1163	I42-R44 PolarHBondContact O-NE 3.03Å; I42-R44 PolarHBondContact O-NH2 3.49Å; I42-L46 HydrophobicContact CD1-CB 4.22Å; I42-Q47 HydrophobicContact CD1-CB 4.36Å; I42-L50 HydrophobicContact CD1-CD1 3.91Å; I42-F51 HydrophobicContact CD1-CE2 4.42Å; I42-D1157 WeakPolarHBondContact CG1-OD1 3.42Å; I42-L1158 HydrophobicContact CD1-CB 4.09Å; I42-L1158 HydrophobicContact CG1-CB 4.37Å; I42-L1158 HydrophobicContact CG2-CB 4.36Å; I42-L1158 HydrophobicContact CG2-CD2 4.5Å; I42-L1158 WeakPolarHBondContact CG2-O 3.31Å; I42-L1158 PolarHBondContact N-O 3.46Å; I42-A1163 HydrophobicContact CG2-CB 3.78Å
43	D	92.1	Very high	92.2	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-54.7	145.3	173.2	175	-94.2	0	0	0	112.7	Q30 N45 L46 Q47 P85 Y87	Q30-D43 PolarHBondContact OE1-OD2 3.22Å; D43-N45 VanDerWaalsContact C-N 3.32Å; D43-N45 PolarHBondContact O-N 3.22Å; D43-N45 WeakPolarHBondContact OD1-CA 3.49Å; D43-N45 WeakPolarHBondContact OD1-CB 3.38Å; D43-N45 PolarHBondContact OD1-N 3.24Å; D43-N45 PolarHBondContact OD1-ND2 3.01Å; D43-L46 HydrophobicContact CB-CB 4.35Å; D43-L46 HydrophobicContact CB-CD1 4.17Å; D43-L46 HydrophobicContact CB-CG 4.33Å; D43-L46 WeakPolarHBondContact O-CB 3.33Å; D43-L46 PolarHBondContact O-N 3.34Å; D43-L46 PolarHBondContact OD1-N 3.42Å; D43-Q47 PolarHBondContact O-N 3.3Å; D43-P85 HydrophobicContact CB-CB 4.26Å; D43-Y87 VanDerWaalsContact OD1-CD2 3.29Å; D43-Y87 WeakPolarHBondContact OD1-CD2 3.49Å
44	R	91.5	Very high	91.9	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-73.8	-22.3	-174.3	-54	-66.8	80.3	-171.7	-2.5	113	Q30 I42 Q47 K48 Q54 K55 Y56 Y58 D1157	Q30-R44 VanDerWaalsContact OE1-CB 3.25Å; I42-R44 PolarHBondContact O-NE 3.03Å; I42-R44 PolarHBondContact O-NH2 3.49Å; R44-Q47 VanDerWaalsContact CZ-OE1 3.32Å; R44-Q47 VanDerWaalsContact NH1-CD 3.33Å; R44-K48 WeakPolarHBondContact O-CB 3.47Å; R44-K48 PolarHBondContact O-N 3.45Å; R44-Q54 PolarHBondContact O-NE2 3.19Å; R44-K55 VanDerWaalsContact CD-O 3.32Å; R44-K55 WeakPolarHBondContact CD-O 3.2Å; R44-K55 PolarHBondContact NH1-O 3.49Å; R44-Y56 HydrophobicContact CB-CE1 4.22Å; R44-Y56 HydrophobicContact CG-CD1 4.2Å; R44-Y56 HydrophobicContact CG-CE1 3.83Å; R44-Y58 PolarHBondContact NH1-OH 2.86Å; R44-D1157 IonicContact CZ-OD1 2.79Å; R44-D1157 IonicContact CZ-OD2 2.8Å; R44-D1157 VanDerWaalsContact CZ-OD2 3.23Å; R44-D1157 IonicContact NH1-OD1 3.87Å; R44-D1157 IonicContact NH1-OD2 3.26Å; R44-D1157 PolarHBondContact NH1-OD2 2.81Å; R44-D1157 IonicContact NH2-OD1 3.25Å; R44-D1157 PolarHBondContact NH2-OD1 3.23Å; R44-D1157 IonicContact NH2-OD2 2.72Å; R44-D1157 PolarHBondContact NH2-OD2 3.09Å
45	N	90.6	Very high	91.8	Very high	62 Å²	62	30.9 Å²	30.9	33%	0.332	16%	0.161	S	C	.	.	H	α-helix	trans	-74.5	-39.5	172.2	-52.9	-60.9	0	0	0	110.2	D43 K48 A49 Y87	D43-N45 VanDerWaalsContact C-N 3.32Å; D43-N45 PolarHBondContact O-N 3.22Å; D43-N45 WeakPolarHBondContact OD1-CA 3.49Å; D43-N45 WeakPolarHBondContact OD1-CB 3.38Å; D43-N45 PolarHBondContact OD1-N 3.24Å; D43-N45 PolarHBondContact OD1-ND2 3.01Å; N45-K48 WeakPolarHBondContact O-CB 3.17Å; N45-K48 PolarHBondContact O-N 3.38Å; N45-A49 WeakPolarHBondContact O-CB 3.41Å; N45-A49 PolarHBondContact O-N 2.93Å; N45-Y87 HydrophobicContact CB-CD2 4.08Å; N45-Y87 HydrophobicContact CB-CE2 3.61Å
46	L	92.6	Very high	91.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-47.6	169	-75.8	174.6	0	0	0	110.7	I42 D43 K48 A49 L50 L86 Y87 F88 I90 L1143	I42-L46 HydrophobicContact CD1-CB 4.22Å; D43-L46 HydrophobicContact CB-CB 4.35Å; D43-L46 HydrophobicContact CB-CD1 4.17Å; D43-L46 HydrophobicContact CB-CG 4.33Å; D43-L46 WeakPolarHBondContact O-CB 3.33Å; D43-L46 PolarHBondContact O-N 3.34Å; D43-L46 PolarHBondContact OD1-N 3.42Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.02Å; L46-A49 PolarHBondContact O-N 3.41Å; L46-L50 HydrophobicContact CB-CD1 4.37Å; L46-L50 VanDerWaalsContact O-CB 3.27Å; L46-L50 WeakPolarHBondContact O-CB 3.34Å; L46-L50 WeakPolarHBondContact O-CD1 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 2.82Å; L46-L86 WeakPolarHBondContact CD1-O 3.47Å; L46-Y87 HydrophobicContact CG-CD2 4.4Å; L46-F88 HydrophobicContact CD1-CE1 4.3Å; L46-F88 HydrophobicContact CD2-CE1 4.36Å; L46-I90 HydrophobicContact CD2-CG2 3.57Å; L46-L1143 HydrophobicContact CD2-CD2 4.37Å
47	Q	94.3	Very high	90.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-56	-46.7	176.5	-169.6	-165.2	23.4	0	0	111.7	I42 D43 R44 A49 L50 F51 C53 R1156	I42-Q47 HydrophobicContact CD1-CB 4.36Å; D43-Q47 PolarHBondContact O-N 3.3Å; R44-Q47 VanDerWaalsContact CZ-OE1 3.32Å; R44-Q47 VanDerWaalsContact NH1-CD 3.33Å; Q47-A49 PolarHBondContact O-N 3.2Å; Q47-L50 PolarHBondContact O-N 3.05Å; Q47-F51 HydrophobicContact CG-CD2 3.87Å; Q47-F51 WeakPolarHBondContact O-CB 3.42Å; Q47-F51 PolarHBondContact O-N 3.49Å; Q47-C53 CarbonylContact C-O 3.58Å; Q47-R1156 PolarHBondContact NE2-O 3.11Å
48	K	93.2	Very high	90.5	Very high	111 Å²	111	43.5 Å²	43.5	48%	0.483	22%	0.218	S	C	.	.	H	α-helix	trans	-57.7	-48.7	177.5	-169.2	179.6	-175.9	168.1	0	111.7	R44 N45 L46 L50 N52 C53 Q54	R44-K48 WeakPolarHBondContact O-CB 3.47Å; R44-K48 PolarHBondContact O-N 3.45Å; N45-K48 WeakPolarHBondContact O-CB 3.17Å; N45-K48 PolarHBondContact O-N 3.38Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.02Å; K48-L50 VanDerWaalsContact C-N 3.3Å; K48-L50 PolarHBondContact O-N 3.08Å; K48-N52 WeakPolarHBondContact O-CA 3.24Å; K48-N52 PolarHBondContact O-N 3.32Å; K48-C53 WeakPolarHBondContact CA-O 3.47Å; K48-C53 PolarHBondContact N-O 3.34Å; K48-Q54 HydrophobicContact CB-CG 3.62Å; K48-Q54 HydrophobicContact CD-CG 4.21Å; K48-Q54 HydrophobicContact CG-CG 3.97Å
49	A	92.9	Very high	90.2	Very high	41 Å²	41	49.1 Å²	49.1	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-32.1	-176.6	0	0	0	0	0	112.2	N45 L46 Q47 I90 L93	N45-A49 WeakPolarHBondContact O-CB 3.41Å; N45-A49 PolarHBondContact O-N 2.93Å; L46-A49 PolarHBondContact O-N 3.41Å; Q47-A49 PolarHBondContact O-N 3.2Å; A49-I90 HydrophobicContact CB-CD1 3.5Å; A49-I90 HydrophobicContact CB-CG1 4.03Å; A49-L93 WeakPolarHBondContact O-CD1 3.31Å
50	L	95.6	Very high	89.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-87.9	-39.9	-175.6	-69.1	171.4	0	0	0	113.9	I42 L46 Q47 K48 I90 V98 L1143 L1144 T1147	I42-L50 HydrophobicContact CD1-CD1 3.91Å; L46-L50 HydrophobicContact CB-CD1 4.37Å; L46-L50 VanDerWaalsContact O-CB 3.27Å; L46-L50 WeakPolarHBondContact O-CB 3.34Å; L46-L50 WeakPolarHBondContact O-CD1 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 2.82Å; Q47-L50 PolarHBondContact O-N 3.05Å; K48-L50 VanDerWaalsContact C-N 3.3Å; K48-L50 PolarHBondContact O-N 3.08Å; L50-I90 HydrophobicContact CD2-CD1 3.93Å; L50-I90 HydrophobicContact CG-CD1 4.27Å; L50-V98 PolarHBondContact O-N 3.06Å; L50-L1143 HydrophobicContact CD1-CD1 3.96Å; L50-L1143 HydrophobicContact CD1-CD2 4.25Å; L50-L1143 HydrophobicContact CD1-CG 4.11Å; L50-L1144 HydrophobicContact CD2-CD2 3.47Å; L50-L1144 VanDerWaalsContact CD2-CD2 3.47Å; L50-T1147 HydrophobicContact CB-CG2 3.69Å; L50-T1147 HydrophobicContact CD1-CG2 4.3Å; L50-T1147 HydrophobicContact CD2-CG2 4.32Å; L50-T1147 HydrophobicContact CG-CG2 4.33Å
51	F	95.3	Very high	89.6	Confident	9 Å²	9	57.9 Å²	57.9	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-111.7	-9.3	-172.5	-64.6	-83.1	0	0	0	114.2	I42 Q47 C53 T1147 V1150 Y1151 R1156	I42-F51 HydrophobicContact CD1-CE2 4.42Å; Q47-F51 HydrophobicContact CG-CD2 3.87Å; Q47-F51 WeakPolarHBondContact O-CB 3.42Å; Q47-F51 PolarHBondContact O-N 3.49Å; F51-C53 VanDerWaalsContact C-N 3.26Å; F51-C53 VanDerWaalsContact CB-SG 3.59Å; F51-C53 PolarHBondContact O-N 3.16Å; F51-T1147 HydrophobicContact CD1-CG2 4.22Å; F51-T1147 HydrophobicContact CD2-CG2 4.16Å; F51-T1147 HydrophobicContact CE1-CG2 3.64Å; F51-T1147 HydrophobicContact CE2-CG2 3.58Å; F51-T1147 HydrophobicContact CG-CG2 4.46Å; F51-T1147 HydrophobicContact CZ-CG2 3.28Å; F51-V1150 HydrophobicContact CE1-CG1 4.22Å; F51-V1150 HydrophobicContact CZ-CG1 4.17Å; F51-Y1151 AromaticContact CD1-CD2 3.88Å; F51-Y1151 HydrophobicContact CD1-CD2 3.88Å; F51-Y1151 HydrophobicContact CE1-CD2 4.4Å; F51-R1156 HydrophobicContact CD1-CB 4.38Å
52	N	93.9	Very high	89.4	Confident	103 Å²	103	60.1 Å²	60.1	55%	0.551	30%	0.298	S	S	*	.	S	Bend	trans	59.2	32.4	-169.2	-157.2	20.1	0	0	0	114	K48 S96	K48-N52 WeakPolarHBondContact O-CA 3.24Å; K48-N52 PolarHBondContact O-N 3.32Å; N52-S96 WeakPolarHBondContact CB-O 3.25Å
53	C	90.8	Very high	89.1	Confident	43 Å²	43	67 Å²	67	29%	0.291	33%	0.328	S	S	.	.			trans	-149.8	159.6	175.9	66.6	0	0	0	0	111.5	Q47 K48 F51	Q47-C53 CarbonylContact C-O 3.58Å; K48-C53 WeakPolarHBondContact CA-O 3.47Å; K48-C53 PolarHBondContact N-O 3.34Å; F51-C53 VanDerWaalsContact C-N 3.26Å; F51-C53 VanDerWaalsContact CB-SG 3.59Å; F51-C53 PolarHBondContact O-N 3.16Å
54	Q	84.8	Confident	88.8	Confident	69 Å²	69	72.9 Å²	72.9	32%	0.322	36%	0.355	S	S	.	.			trans	-129.2	123.2	172.1	-66.4	-175.7	-67	0	0	109.5	R44 K48 Y56	R44-Q54 PolarHBondContact O-NE2 3.19Å; K48-Q54 HydrophobicContact CB-CG 3.62Å; K48-Q54 HydrophobicContact CD-CG 4.21Å; K48-Q54 HydrophobicContact CG-CG 3.97Å; Q54-Y56 HydrophobicContact CB-CD2 4.48Å; Q54-Y56 HydrophobicContact CB-CE2 3.75Å
55	K	86.3	Confident	88.6	Confident	78 Å²	78	73.4 Å²	73.4	34%	0.339	36%	0.359	S	S	.	.			trans	-114.2	117.6	175.3	-170.7	175.3	172.2	-166.4	0	108.4	E36 R44 D57 Y58	E36-K55 IonicContact OE1-NZ 2.73Å; E36-K55 PolarHBondContact OE1-NZ 3.05Å; R44-K55 VanDerWaalsContact CD-O 3.32Å; R44-K55 WeakPolarHBondContact CD-O 3.2Å; R44-K55 PolarHBondContact NH1-O 3.49Å; K55-D57 VanDerWaalsContact CE-O 3.25Å; K55-D57 WeakPolarHBondContact CE-O 3.33Å; K55-Y58 HydrophobicContact CD-CD1 4.19Å; K55-Y58 HydrophobicContact CD-CE1 3.65Å; K55-Y58 HydrophobicContact CD-CE2 4.29Å; K55-Y58 HydrophobicContact CG-CE1 4.39Å; K55-Y58 HydrophobicContact CG-CE2 4.13Å; K55-Y58 VanDerWaalsContact NZ-CD1 3.26Å; K55-Y58 VanDerWaalsContact NZ-CE1 3.27Å
56	Y	81.8	Confident	88.5	Confident	121 Å²	121	73.6 Å²	73.6	48%	0.475	36%	0.359	S	S	.	.			trans	-100.4	-40.2	179	-66.4	-85	0	0	0	111.7	R44 Q54	R44-Y56 HydrophobicContact CB-CE1 4.22Å; R44-Y56 HydrophobicContact CG-CD1 4.2Å; R44-Y56 HydrophobicContact CG-CE1 3.83Å; Q54-Y56 HydrophobicContact CB-CD2 4.48Å; Q54-Y56 HydrophobicContact CB-CE2 3.75Å
57	D	80.3	Confident	88.2	Confident	145 Å²	145	79 Å²	79	78%	0.775	39%	0.385	S	S	*	.			trans	-105.3	130	-178.6	-69.1	-38.6	0	0	0	112	K55	K55-D57 VanDerWaalsContact CE-O 3.25Å; K55-D57 WeakPolarHBondContact CE-O 3.33Å
58	Y	87.4	Confident	87.8	Confident	42 Å²	42	81.4 Å²	81.4	17%	0.165	40%	0.396	C	S	.	.			trans	-107.6	136	175	-74.3	-92.6	0	0	0	109.3	T33 Y34 N35 E36 R44 K55 D1157	T33-Y58 HydrophobicContact CG2-CD2 3.87Å; T33-Y58 HydrophobicContact CG2-CE2 3.51Å; Y34-Y58 VanDerWaalsContact O-CD2 3.22Å; Y34-Y58 WeakPolarHBondContact O-CD2 3.27Å; N35-Y58 HydrophobicContact CB-CD1 3.88Å; N35-Y58 HydrophobicContact CB-CE1 4.02Å; N35-Y58 HydrophobicContact CB-CG 4.39Å; E36-Y58 HydrophobicContact CG-CD1 4.45Å; E36-Y58 WeakPolarHBondContact OE1-CD1 3.48Å; E36-Y58 WeakPolarHBondContact OE2-CD1 3.38Å; R44-Y58 PolarHBondContact NH1-OH 2.86Å; K55-Y58 HydrophobicContact CD-CD1 4.19Å; K55-Y58 HydrophobicContact CD-CE1 3.65Å; K55-Y58 HydrophobicContact CD-CE2 4.29Å; K55-Y58 HydrophobicContact CG-CE1 4.39Å; K55-Y58 HydrophobicContact CG-CE2 4.13Å; K55-Y58 VanDerWaalsContact NZ-CD1 3.26Å; K55-Y58 VanDerWaalsContact NZ-CE1 3.27Å; Y58-D1157 WeakPolarHBondContact OH-CB 3.49Å; Y58-D1157 PolarHBondContact OH-OD2 2.77Å
59	Q	83.1	Confident	87.6	Confident	161 Å²	161	76.3 Å²	76.3	75%	0.752	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-69.4	164.7	176.7	-67.4	-175.6	-4.4	0	0	110.4	E36	E36-Q59 WeakPolarHBondContact CA-O 3.37Å; E36-Q59 WeakPolarHBondContact CB-O 3.49Å; E36-Q59 WeakPolarHBondContact CG-O 3.34Å
60	K	83.5	Confident	87.3	Confident	199 Å²	199	79.1 Å²	79.1	87%	0.865	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-70.4	142.6	166.7	-72	-173.7	177.7	-178.3	0	109.3
61	A	86.1	Confident	86.7	Confident	10 Å²	10	84.9 Å²	84.9	8%	0.083	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-54.8	146.7	172.6	0	0	0	0	0	111.4	E36 V37 V65 L66 F933	E36-A61 HydrophobicContact CB-CB 4.4Å; V37-A61 HydrophobicContact CG1-CB 4.07Å; A61-V65 HydrophobicContact CB-CB 4.32Å; A61-V65 HydrophobicContact CB-CG1 4Å; A61-L66 HydrophobicContact CB-CD2 4.08Å; A61-L66 HydrophobicContact CB-CG 4.22Å; A61-F933 HydrophobicContact CB-CZ 4.44Å
62	S	88.8	Confident	86	Confident	51 Å²	51	86 Å²	86	36%	0.357	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-63.1	159.2	179.7	85.1	0	0	0	0	111.6	E64 V65 L66	S62-E64 VanDerWaalsContact C-N 3.28Å; S62-E64 WeakPolarHBondContact CB-OE2 3.45Å; S62-E64 PolarHBondContact O-N 3.01Å; S62-E64 PolarHBondContact OG-OE2 3.35Å; S62-V65 PolarHBondContact O-N 2.99Å; S62-V65 WeakPolarHBondContact OG-CG2 3.39Å; S62-V65 PolarHBondContact OG-N 3.21Å; S62-L66 WeakPolarHBondContact O-CG 3.41Å; S62-L66 PolarHBondContact O-N 3.11Å
63	F	87	Confident	85.4	Confident	149 Å²	149	84.2 Å²	84.2	65%	0.654	42%	0.423	S	S	*	.	H	α-helix	trans	-59.2	-38.8	179.1	-179	-95.9	0	0	0	112.2	V65 L66 Q67	F63-V65 VanDerWaalsContact C-N 3.33Å; F63-V65 PolarHBondContact O-N 3.34Å; F63-L66 PolarHBondContact O-N 2.9Å; F63-Q67 WeakPolarHBondContact O-CB 3.46Å; F63-Q67 PolarHBondContact O-N 3.27Å
64	E	85.9	Confident	85.1	Confident	132 Å²	132	82.8 Å²	82.8	62%	0.617	41%	0.412	S	S	*	.	H	α-helix	trans	-63	-41.3	177.9	-56.4	88.2	-174.8	0	0	111.9	S62 Q67 E68	S62-E64 VanDerWaalsContact C-N 3.28Å; S62-E64 WeakPolarHBondContact CB-OE2 3.45Å; S62-E64 PolarHBondContact O-N 3.01Å; S62-E64 PolarHBondContact OG-OE2 3.35Å; E64-Q67 PolarHBondContact O-N 2.92Å; E64-E68 PolarHBondContact O-N 2.55Å; E64-E68 VanDerWaalsContact O-N 3.09Å
65	V	86.1	Confident	85	Confident	13 Å²	13	83.5 Å²	83.5	8%	0.079	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-50.3	177.9	173	0	0	0	0	110	V37 A61 S62 F63 Q67 E68 F69 V931 F933 S936	V37-V65 HydrophobicContact CG1-CG1 4.43Å; A61-V65 HydrophobicContact CB-CB 4.32Å; A61-V65 HydrophobicContact CB-CG1 4Å; S62-V65 PolarHBondContact O-N 2.99Å; S62-V65 WeakPolarHBondContact OG-CG2 3.39Å; S62-V65 PolarHBondContact OG-N 3.21Å; F63-V65 VanDerWaalsContact C-N 3.33Å; F63-V65 PolarHBondContact O-N 3.34Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3.28Å; V65-E68 PolarHBondContact O-N 2.77Å; V65-F69 HydrophobicContact CG1-CD2 3.71Å; V65-F69 HydrophobicContact CG1-CE2 3.4Å; V65-F69 VanDerWaalsContact CG1-CE2 3.4Å; V65-F69 WeakPolarHBondContact O-CD2 3.3Å; V65-F69 PolarHBondContact O-N 3.44Å; V65-F69 VanDerWaalsContact O-N 3.13Å; V65-V931 HydrophobicContact CG2-CG1 3.95Å; V65-F933 HydrophobicContact CG1-CZ 4.43Å; V65-S936 WeakPolarHBondContact CG1-O 3.43Å
66	L	88	Confident	84.8	Confident	66 Å²	66	80.7 Å²	80.7	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-59	-43.2	178.6	-66.6	175	0	0	0	112.1	A61 S62 F63 E68 F69 C70 I76	A61-L66 HydrophobicContact CB-CD2 4.08Å; A61-L66 HydrophobicContact CB-CG 4.22Å; S62-L66 WeakPolarHBondContact O-CG 3.41Å; S62-L66 PolarHBondContact O-N 3.11Å; F63-L66 PolarHBondContact O-N 2.9Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 3.08Å; L66-F69 PolarHBondContact O-N 2.78Å; L66-C70 PolarHBondContact O-N 2.96Å; L66-I76 HydrophobicContact CD2-CD1 3.36Å
67	Q	87.1	Confident	84.6	Confident	116 Å²	116	80.4 Å²	80.4	54%	0.542	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-40.7	179.3	-171.3	177.3	20.4	0	0	111.8	F63 E64 V65 C70 R71	F63-Q67 WeakPolarHBondContact O-CB 3.46Å; F63-Q67 PolarHBondContact O-N 3.27Å; E64-Q67 PolarHBondContact O-N 2.92Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3.28Å; Q67-C70 PolarHBondContact O-N 2.96Å; Q67-R71 WeakPolarHBondContact O-CB 3.45Å; Q67-R71 PolarHBondContact O-N 3.46Å
68	E	85.9	Confident	84.3	Confident	51 Å²	51	75.7 Å²	75.7	24%	0.238	40%	0.396	C	S	.	.	H	α-helix	trans	-69.4	-37	179.4	-170.1	63.6	-174.1	0	0	112.3	E64 V65 L66 R71 L72 P938	E64-E68 PolarHBondContact O-N 2.55Å; E64-E68 VanDerWaalsContact O-N 3.09Å; V65-E68 PolarHBondContact O-N 2.77Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 3.08Å; E68-R71 PolarHBondContact O-N 2.88Å; E68-R71 IonicContact OE1-CZ 3.85Å; E68-R71 IonicContact OE1-NE 3.88Å; E68-R71 PolarHBondContact OE1-NE 2.9Å; E68-R71 IonicContact OE1-NH2 2.84Å; E68-R71 PolarHBondContact OE1-NH2 3Å; E68-R71 IonicContact OE2-CZ 3.64Å; E68-R71 IonicContact OE2-NE 2.69Å; E68-R71 PolarHBondContact OE2-NE 2.89Å; E68-R71 IonicContact OE2-NH2 3.19Å; E68-L72 PolarHBondContact O-N 2.79Å; E68-P938 HydrophobicContact CG-CG 3.72Å
69	F	88.5	Confident	83.2	Confident	3 Å²	3	82 Å²	82	1%	0.013	43%	0.433	C	S	.	.	H	α-helix	trans	-63	-47.6	171.7	-78.6	-66.7	0	0	0	112.2	V37 V65 L66 R71 L72 G73 I74 I76 G935 W941	V37-F69 HydrophobicContact CG1-CE2 3.99Å; V65-F69 HydrophobicContact CG1-CD2 3.71Å; V65-F69 HydrophobicContact CG1-CE2 3.4Å; V65-F69 VanDerWaalsContact CG1-CE2 3.4Å; V65-F69 WeakPolarHBondContact O-CD2 3.3Å; V65-F69 PolarHBondContact O-N 3.44Å; V65-F69 VanDerWaalsContact O-N 3.13Å; L66-F69 PolarHBondContact O-N 2.78Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 3.28Å; F69-L72 CarbonylContact O-C 3.49Å; F69-L72 PolarHBondContact O-N 2.69Å; F69-G73 PolarHBondContact O-N 3.06Å; F69-I74 HydrophobicContact CB-CB 4.4Å; F69-I74 HydrophobicContact CD1-CB 3.76Å; F69-I74 HydrophobicContact CD1-CD1 3.85Å; F69-I74 HydrophobicContact CD1-CG1 4.39Å; F69-I74 HydrophobicContact CD1-CG2 3.6Å; F69-I74 HydrophobicContact CE1-CD1 4.16Å; F69-I74 HydrophobicContact CE1-CG2 4.14Å; F69-I74 PolarHBondContact O-N 3.47Å; F69-I76 HydrophobicContact CD1-CG2 4.16Å; F69-I76 HydrophobicContact CD2-CG2 4.43Å; F69-I76 HydrophobicContact CG-CG2 4.13Å; F69-G935 VanDerWaalsContact CZ-O 3.31Å; F69-G935 WeakPolarHBondContact CZ-O 3.45Å; F69-W941 HydrophobicContact CE1-CB 3.5Å; F69-W941 AromaticContact CE1-CG 3.78Å; F69-W941 HydrophobicContact CE1-CG 3.78Å; F69-W941 HydrophobicContact CZ-CB 3.83Å; F69-W941 HydrophobicContact CZ-CG 4.19Å
70	C	86.1	Confident	82.5	Confident	100 Å²	100	77.7 Å²	77.7	68%	0.676	41%	0.409	S	S	*	.	H	α-helix	trans	-58.7	-42.8	175.9	-77.7	0	0	0	0	111.7	L66 Q67 L72 G73	L66-C70 PolarHBondContact O-N 2.96Å; Q67-C70 PolarHBondContact O-N 2.96Å; C70-L72 PolarHBondContact O-N 3.26Å; C70-G73 PolarHBondContact O-N 3.47Å; C70-G73 VanDerWaalsContact O-N 3.08Å
71	R	84.2	Confident	81.7	Confident	122 Å²	122	77.1 Å²	77.1	46%	0.46	41%	0.41	S	S	.	.	H	α-helix	trans	-58.1	-33.2	178.7	-169.6	-172.2	70.6	80.8	-3.7	112.8	Q67 E68 F69 G1036	Q67-R71 WeakPolarHBondContact O-CB 3.45Å; Q67-R71 PolarHBondContact O-N 3.46Å; E68-R71 PolarHBondContact O-N 2.88Å; E68-R71 IonicContact OE1-CZ 3.85Å; E68-R71 IonicContact OE1-NE 3.88Å; E68-R71 PolarHBondContact OE1-NE 2.9Å; E68-R71 IonicContact OE1-NH2 2.84Å; E68-R71 PolarHBondContact OE1-NH2 3Å; E68-R71 IonicContact OE2-CZ 3.64Å; E68-R71 IonicContact OE2-NE 2.69Å; E68-R71 PolarHBondContact OE2-NE 2.89Å; E68-R71 IonicContact OE2-NH2 3.19Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 3.28Å; R71-G1036 VanDerWaalsContact CZ-O 3.27Å; R71-G1036 PolarHBondContact NH1-O 3.23Å; R71-G1036 VanDerWaalsContact NH2-C 3.35Å; R71-G1036 PolarHBondContact NH2-O 2.86Å
72	L	80.4	Confident	80.7	Confident	33 Å²	33	83.5 Å²	83.5	17%	0.173	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.5	-178.9	-69	169.9	0	0	0	113.4	E68 F69 C70 I74 P938 K957	E68-L72 PolarHBondContact O-N 2.79Å; F69-L72 CarbonylContact O-C 3.49Å; F69-L72 PolarHBondContact O-N 2.69Å; C70-L72 PolarHBondContact O-N 3.26Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 HydrophobicContact CB-CD1 4.37Å; L72-I74 HydrophobicContact CB-CG1 4.42Å; L72-I74 PolarHBondContact O-N 3.39Å; L72-P938 HydrophobicContact CD1-CB 3.44Å; L72-P938 VanDerWaalsContact CD1-CB 3.44Å; L72-P938 HydrophobicContact CD1-CG 3.46Å; L72-P938 VanDerWaalsContact CD1-CG 3.46Å; L72-K957 PolarHBondContact O-NZ 3.29Å
73	G	82.2	Confident	80	Confident	64 Å²	64	86.1 Å²	86.1	66%	0.66	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	39.3	179.8	0	0	0	0	0	112.8	F69 C70	F69-G73 PolarHBondContact O-N 3.06Å; C70-G73 PolarHBondContact O-N 3.47Å; C70-G73 VanDerWaalsContact O-N 3.08Å
74	I	83	Confident	79.5	Confident	14 Å²	14	83.3 Å²	83.3	7%	0.072	43%	0.429	C	S	.	.			trans	-99.9	117.1	173.1	-63.2	173.2	0	0	0	107.7	F69 L72 I76 P938 W941 M942	F69-I74 HydrophobicContact CB-CB 4.4Å; F69-I74 HydrophobicContact CD1-CB 3.76Å; F69-I74 HydrophobicContact CD1-CD1 3.85Å; F69-I74 HydrophobicContact CD1-CG1 4.39Å; F69-I74 HydrophobicContact CD1-CG2 3.6Å; F69-I74 HydrophobicContact CE1-CD1 4.16Å; F69-I74 HydrophobicContact CE1-CG2 4.14Å; F69-I74 PolarHBondContact O-N 3.47Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 HydrophobicContact CB-CD1 4.37Å; L72-I74 HydrophobicContact CB-CG1 4.42Å; L72-I74 PolarHBondContact O-N 3.39Å; I74-I76 HydrophobicContact CG2-CG2 4.15Å; I74-P938 HydrophobicContact CD1-CB 3.97Å; I74-W941 HydrophobicContact CG2-CD2 3.81Å; I74-W941 HydrophobicContact CG2-CE3 3.6Å; I74-W941 HydrophobicContact CG2-CH2 3.8Å; I74-W941 HydrophobicContact CG2-CZ2 3.97Å; I74-W941 HydrophobicContact CG2-CZ3 3.63Å; I74-M942 HydrophobicContact CD1-CG 4.02Å; I74-M942 HydrophobicContact CD1-SD 4.34Å
75	D	82.3	Confident	79.1	Confident	83 Å²	83	78.3 Å²	78.3	44%	0.444	41%	0.408	S	S	.	.			trans	-91.6	109.4	175.1	177.8	20.3	0	0	0	110.8	T77 S78	D75-T77 WeakPolarHBondContact OD1-CA 3.45Å; D75-T77 WeakPolarHBondContact OD1-CB 3.31Å; D75-T77 PolarHBondContact OD1-N 3.22Å; D75-T77 PolarHBondContact OD1-OG1 3.15Å; D75-S78 PolarHBondContact O-OG 2.78Å; D75-S78 PolarHBondContact OD1-N 2.91Å; D75-S78 WeakPolarHBondContact OD2-CB 3.47Å; D75-S78 PolarHBondContact OD2-N 3.47Å
76	I	82.4	Confident	79	Confident	20 Å²	20	78.8 Å²	78.8	10%	0.103	41%	0.41	C	S	.	.	S	Bend	trans	-89.4	-9.9	176.1	66.1	172.8	0	0	0	113	N38 L66 F69 I74 W941	N38-I76 WeakPolarHBondContact CB-O 3.41Å; N38-I76 PolarHBondContact ND2-O 2.67Å; L66-I76 HydrophobicContact CD2-CD1 3.36Å; F69-I76 HydrophobicContact CD1-CG2 4.16Å; F69-I76 HydrophobicContact CD2-CG2 4.43Å; F69-I76 HydrophobicContact CG-CG2 4.13Å; I74-I76 HydrophobicContact CG2-CG2 4.15Å; I76-W941 HydrophobicContact CG2-CZ2 4.24Å
77	T	78.6	Confident	78.8	Confident	114 Å²	114	78.7 Å²	78.7	70%	0.699	41%	0.406	S	S	*	.			trans	-92.4	-12.5	-172.5	66.2	0	0	0	0	114	D75 N79	D75-T77 WeakPolarHBondContact OD1-CA 3.45Å; D75-T77 WeakPolarHBondContact OD1-CB 3.31Å; D75-T77 PolarHBondContact OD1-N 3.22Å; D75-T77 PolarHBondContact OD1-OG1 3.15Å; T77-N79 PolarHBondContact O-N 3.44Å
78	S	74	Confident	78.9	Confident	46 Å²	46	73.2 Å²	73.2	32%	0.322	38%	0.38	S	S	.	.	S	Bend	trans	-53.4	129.8	178.4	44.2	0	0	0	0	112.4	N38 D75 R80	N38-S78 PolarHBondContact ND2-O 2.66Å; D75-S78 PolarHBondContact O-OG 2.78Å; D75-S78 PolarHBondContact OD1-N 2.91Å; D75-S78 WeakPolarHBondContact OD2-CB 3.47Å; D75-S78 PolarHBondContact OD2-N 3.47Å; S78-R80 PolarHBondContact O-N 2.79Å
79	N	65	Low	78.9	Confident	174 Å²	174	74.5 Å²	74.5	93%	0.93	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63.1	123.2	174.9	-108.2	-10.2	0	0	0	109.1	T77	T77-N79 PolarHBondContact O-N 3.44Å
80	R	67	Low	79	Confident	71 Å²	71	75.7 Å²	75.7	27%	0.268	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-100.5	154.1	-177.3	-63.7	-163.9	-173	-102.1	2.1	111.8	N38 S78 Y82 Q945	N38-R80 PolarHBondContact O-NE 3.13Å; S78-R80 PolarHBondContact O-N 2.79Å; R80-Y82 PolarHBondContact O-N 2.89Å; R80-Q945 VanDerWaalsContact NH1-CG 3.33Å
81	H	66.3	Low	79.2	Confident	187 Å²	187	71.6 Å²	71.6	87%	0.866	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-59	123.7	170.3	-80.5	-75.2	0	0	0	110	K83	H81-K83 PolarHBondContact O-N 2.96Å
82	Y	66.5	Low	79.6	Confident	145 Å²	145	72.1 Å²	72.1	57%	0.569	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-63.8	126.5	173.4	-172.7	-84.3	0	0	0	108.8	P32 R80 D84	P32-Y82 WeakPolarHBondContact CD-OH 3.45Å; P32-Y82 HydrophobicContact CG-CD2 3.66Å; P32-Y82 HydrophobicContact CG-CE1 4.35Å; P32-Y82 HydrophobicContact CG-CE2 3.17Å; P32-Y82 HydrophobicContact CG-CG 4.43Å; R80-Y82 PolarHBondContact O-N 2.89Å; Y82-D84 VanDerWaalsContact CE1-OD1 3.28Å; Y82-D84 WeakPolarHBondContact CE1-OD1 3.22Å
83	K	74.4	Confident	80.2	Confident	106 Å²	106	72.2 Å²	72.2	46%	0.461	39%	0.385	S	S	.	.			trans	-126.4	129	173.8	-171.1	-169.8	174.4	-147.3	0	107.4	L40 H81 E1160	L40-K83 HydrophobicContact CD2-CB 4.34Å; H81-K83 PolarHBondContact O-N 2.96Å; K83-E1160 IonicContact NZ-OE1 3.25Å; K83-E1160 PolarHBondContact NZ-OE1 3.33Å
84	D	75.4	Confident	80.6	Confident	90 Å²	90	71.5 Å²	71.5	48%	0.481	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-64.1	133.5	175.8	-73	-48.6	0	0	0	110.1	Y82 L86	Y82-D84 VanDerWaalsContact CE1-OD1 3.28Å; Y82-D84 WeakPolarHBondContact CE1-OD1 3.22Å; D84-L86 PolarHBondContact O-N 3.36Å
85	P	77.2	Confident	81	Confident	26 Å²	26	73 Å²	73	17%	0.169	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-60.6	136	176.5	-22.3	32.8	0	0	0	111.6	P32 D43	P32-P85 HydrophobicContact CB-CG 4.15Å; D43-P85 HydrophobicContact CB-CB 4.26Å
86	L	85.1	Confident	81.5	Confident	23 Å²	23	71.4 Å²	71.4	12%	0.12	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-75.2	125.6	172.3	-76.1	163	0	0	0	110.6	L46 D84 F1164 M1205 Q1206 L1209	L46-L86 WeakPolarHBondContact CD1-O 3.47Å; D84-L86 PolarHBondContact O-N 3.36Å; L86-F1164 HydrophobicContact CB-CE2 4.18Å; L86-F1164 HydrophobicContact CD1-CD2 4.13Å; L86-F1164 HydrophobicContact CD1-CE2 3.94Å; L86-M1205 HydrophobicContact CD1-CG 4.41Å; L86-Q1206 VanDerWaalsContact CD2-OE1 3.25Å; L86-L1209 HydrophobicContact CD2-CD1 4.16Å
87	Y	83	Confident	82.1	Confident	64 Å²	64	70.8 Å²	70.8	25%	0.251	38%	0.382	S	S	.	.			trans	-126.4	139.4	173.5	174.6	-97.7	0	0	0	111.7	H27 D43 N45 L46	H27-Y87 AromaticContact CD2-CD1 3.79Å; H27-Y87 AromaticContact CD2-CE1 3.49Å; H27-Y87 VanDerWaalsContact CD2-CE1 3.49Å; H27-Y87 WeakPolarHBondContact CD2-CE1 3.4Å; H27-Y87 AromaticContact CE1-CE1 3.86Å; H27-Y87 AromaticContact CG-CE1 3.93Å; H27-Y87 AromaticContact NE2-CE1 3.46Å; H27-Y87 WeakPolarHBondContact NE2-CE1 3.29Å; D43-Y87 VanDerWaalsContact OD1-CD2 3.29Å; D43-Y87 WeakPolarHBondContact OD1-CD2 3.49Å; N45-Y87 HydrophobicContact CB-CD2 4.08Å; N45-Y87 HydrophobicContact CB-CE2 3.61Å; L46-Y87 HydrophobicContact CG-CD2 4.4Å
88	F	88.9	Confident	83	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.009	35%	0.349	C	S	.	.			trans	-155.9	159.7	169.8	66.2	-79.9	0	0	0	109.2	L46 I90 I1140 L1143 F1164 M1205 L1209	L46-F88 HydrophobicContact CD1-CE1 4.3Å; L46-F88 HydrophobicContact CD2-CE1 4.36Å; F88-I90 HydrophobicContact CD2-CG2 4.45Å; F88-I90 HydrophobicContact CE2-CG2 3.74Å; F88-I90 HydrophobicContact CZ-CG2 4.03Å; F88-I90 PolarHBondContact O-N 2.89Å; F88-I1140 HydrophobicContact CE2-CD1 4.03Å; F88-I1140 HydrophobicContact CE2-CG1 3.71Å; F88-I1140 HydrophobicContact CZ-CG1 4.11Å; F88-L1143 HydrophobicContact CE1-CD2 4.32Å; F88-L1143 HydrophobicContact CZ-CD2 3.83Å; F88-F1164 AromaticContact CE1-CE1 3.77Å; F88-F1164 HydrophobicContact CE1-CE1 3.77Å; F88-F1164 AromaticContact CE1-CZ 3.97Å; F88-F1164 HydrophobicContact CE1-CZ 3.97Å; F88-F1164 HydrophobicContact CZ-CE1 4.31Å; F88-M1205 HydrophobicContact CD1-CE 3.55Å; F88-M1205 HydrophobicContact CE1-CE 3.37Å; F88-M1205 HydrophobicContact CE2-CE 4.36Å; F88-M1205 HydrophobicContact CG-CE 4.14Å; F88-M1205 HydrophobicContact CZ-CE 3.81Å; F88-L1209 HydrophobicContact CB-CD2 3.67Å; F88-L1209 HydrophobicContact CD1-CD2 4.4Å; F88-L1209 HydrophobicContact CG-CD2 4Å
89	S	85.7	Confident	84	Confident	77 Å²	77	66.1 Å²	66.1	54%	0.538	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-76.2	117	178	-64.6	0	0	0	0	110.8
90	I	90.5	Very high	85.6	Confident	28 Å²	28	61.9 Å²	61.9	14%	0.144	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-76.2	149.2	171.1	63.7	170.4	0	0	0	110.7	L46 A49 L50 F88 L93 L1143	L46-I90 HydrophobicContact CD2-CG2 3.57Å; A49-I90 HydrophobicContact CB-CD1 3.5Å; A49-I90 HydrophobicContact CB-CG1 4.03Å; L50-I90 HydrophobicContact CD2-CD1 3.93Å; L50-I90 HydrophobicContact CG-CD1 4.27Å; F88-I90 HydrophobicContact CD2-CG2 4.45Å; F88-I90 HydrophobicContact CE2-CG2 3.74Å; F88-I90 HydrophobicContact CZ-CG2 4.03Å; F88-I90 PolarHBondContact O-N 2.89Å; I90-L93 HydrophobicContact CD1-CD1 4.13Å; I90-L93 HydrophobicContact CD1-CD2 4.44Å; I90-L93 HydrophobicContact CD1-CG 4.25Å; I90-L1143 HydrophobicContact CG2-CD2 4.35Å
91	P	92.1	Very high	87	Confident	14 Å²	14	58.5 Å²	58.5	9%	0.091	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-59.9	148.8	172.9	-22.2	33.1	0	0	0	111.9	L93 W1103 L1104 F1108 I1140 M1216	P91-L93 PolarHBondContact O-N 3.42Å; P91-W1103 HydrophobicContact CB-CH2 3.88Å; P91-W1103 HydrophobicContact CB-CZ2 4.46Å; P91-W1103 HydrophobicContact CG-CH2 4.45Å; P91-L1104 HydrophobicContact CG-CD2 3.99Å; P91-F1108 HydrophobicContact CB-CE2 4.05Å; P91-F1108 HydrophobicContact CB-CZ 3.95Å; P91-F1108 HydrophobicContact CG-CE2 3.9Å; P91-F1108 HydrophobicContact CG-CZ 3.98Å; P91-I1140 HydrophobicContact CG-CD1 4.33Å; P91-M1216 HydrophobicContact CG-CG 4.25Å
92	D	91.6	Very high	88.5	Confident	134 Å²	134	49.6 Å²	49.6	72%	0.717	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-55	125.2	179.1	-52.8	-47.3	0	0	0	111.4	K1107	D92-K1107 PolarHBondContact O-NZ 3.48Å
93	L	94	Very high	90	Very high	34 Å²	34	45 Å²	45	18%	0.178	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-85.2	139.4	178.9	-55.6	-174.6	0	0	0	110.4	A49 I90 P91 G95 H101 W1103 L1144	A49-L93 WeakPolarHBondContact O-CD1 3.31Å; I90-L93 HydrophobicContact CD1-CD1 4.13Å; I90-L93 HydrophobicContact CD1-CD2 4.44Å; I90-L93 HydrophobicContact CD1-CG 4.25Å; P91-L93 PolarHBondContact O-N 3.42Å; L93-G95 PolarHBondContact O-N 3.04Å; L93-H101 HydrophobicContact CB-CB 4.12Å; L93-W1103 HydrophobicContact CD2-CH2 4.43Å; L93-L1144 HydrophobicContact CD2-CD2 4.01Å
94	S	90.3	Very high	91.1	Very high	49 Å²	49	42.5 Å²	42.5	34%	0.343	25%	0.248	S	C	.	.	S	Bend	trans	-76.8	82.3	171.1	-51.1	0	0	0	0	110.5	E100 H101	S94-E100 CarbonylContact O-C 3.55Å; S94-H101 PolarHBondContact N-ND1 2.95Å; S94-H101 WeakPolarHBondContact O-CA 3.5Å; S94-H101 PolarHBondContact O-N 2.99Å
95	G	91.3	Very high	92.2	Very high	45 Å²	45	38.3 Å²	38.3	46%	0.464	23%	0.225	S	C	.	.	S	Bend	trans	132.4	-177.9	-178.8	0	0	0	0	0	112.1	L93	L93-G95 PolarHBondContact O-N 3.04Å
96	S	92.5	Very high	93.2	Very high	51 Å²	51	37 Å²	37	36%	0.357	22%	0.217	S	C	.	.	S	Bend	trans	-80.3	-22.8	-178	68.5	0	0	0	0	113.4	N52 E100	N52-S96 WeakPolarHBondContact CB-O 3.25Å; S96-E100 WeakPolarHBondContact CB-OE2 3.48Å; S96-E100 PolarHBondContact N-OE2 3.39Å; S96-E100 VanDerWaalsContact OG-CD 3.23Å; S96-E100 PolarHBondContact OG-OE1 3.43Å; S96-E100 PolarHBondContact OG-OE2 3.46Å
97	N	95	Very high	93.7	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	24%	0.241	C	C	.	.	S	Bend	trans	-150.2	171.9	-174.3	59.6	69.6	0	0	0	111.5	K99 E100 H101 Y1151	N97-K99 VanDerWaalsContact C-N 3.26Å; N97-K99 PolarHBondContact O-N 3.49Å; N97-K99 WeakPolarHBondContact OD1-CB 3.27Å; N97-K99 PolarHBondContact OD1-N 2.74Å; N97-K99 VanDerWaalsContact OD1-N 3.07Å; N97-E100 PolarHBondContact ND2-OE1 3.25Å; N97-E100 PolarHBondContact O-N 2.78Å; N97-E100 PolarHBondContact OD1-N 2.83Å; N97-E100 VanDerWaalsContact OD1-N 3.14Å; N97-H101 PolarHBondContact O-N 3.48Å; N97-H101 VanDerWaalsContact O-N 3.09Å; N97-Y1151 HydrophobicContact CB-CE2 4.09Å
98	V	96.7	Very high	94.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-31.4	-177.3	73.1	0	0	0	0	114.1	L50 L102 L1144 T1147 F1148 Y1151	L50-V98 PolarHBondContact O-N 3.06Å; V98-L102 WeakPolarHBondContact O-CB 3.42Å; V98-L102 PolarHBondContact O-N 2.81Å; V98-L1144 HydrophobicContact CG2-CB 4.27Å; V98-L1144 HydrophobicContact CG2-CD2 3.99Å; V98-L1144 WeakPolarHBondContact CG2-O 3.36Å; V98-T1147 HydrophobicContact CB-CG2 3.99Å; V98-T1147 HydrophobicContact CG1-CG2 3.6Å; V98-T1147 HydrophobicContact CG2-CG2 4.31Å; V98-F1148 HydrophobicContact CG1-CB 4.29Å; V98-F1148 HydrophobicContact CG2-CB 4.23Å; V98-Y1151 HydrophobicContact CG1-CD2 4.4Å; V98-Y1151 HydrophobicContact CG1-CG 4.44Å
99	K	96.3	Very high	94.7	Very high	61 Å²	61	46.7 Å²	46.7	27%	0.265	26%	0.262	S	S	.	.	H	α-helix	trans	-69.2	-52.6	-179.5	176.1	-174.1	-178	-57.1	0	110.4	N97 H101 L102 D103 F1148 Y1151	N97-K99 VanDerWaalsContact C-N 3.26Å; N97-K99 PolarHBondContact O-N 3.49Å; N97-K99 WeakPolarHBondContact OD1-CB 3.27Å; N97-K99 PolarHBondContact OD1-N 2.74Å; N97-K99 VanDerWaalsContact OD1-N 3.07Å; K99-H101 PolarHBondContact O-N 3.01Å; K99-L102 PolarHBondContact O-N 3.44Å; K99-D103 IonicContact NZ-OD2 3.08Å; K99-D103 PolarHBondContact NZ-OD2 3.49Å; K99-D103 WeakPolarHBondContact O-CB 3.45Å; K99-D103 VanDerWaalsContact O-CG 3.31Å; K99-D103 PolarHBondContact O-N 3.18Å; K99-F1148 HydrophobicContact CB-CD2 4.3Å; K99-F1148 HydrophobicContact CB-CE2 4.37Å; K99-F1148 HydrophobicContact CG-CE2 4.1Å; K99-Y1151 HydrophobicContact CB-CD1 3.84Å; K99-Y1151 HydrophobicContact CB-CE1 3.84Å; K99-Y1151 HydrophobicContact CB-CG 4.4Å; K99-Y1151 HydrophobicContact CD-CD1 4.05Å; K99-Y1151 HydrophobicContact CD-CE1 3.69Å; K99-Y1151 HydrophobicContact CG-CD1 4.48Å; K99-Y1151 HydrophobicContact CG-CE1 4.37Å
100	E	97.2	Very high	95.2	Very high	84 Å²	84	43 Å²	43	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-38.9	176.1	-73.4	167.9	-153.8	0	0	111.3	S94 S96 N97 S104	S94-E100 CarbonylContact O-C 3.55Å; S96-E100 WeakPolarHBondContact CB-OE2 3.48Å; S96-E100 PolarHBondContact N-OE2 3.39Å; S96-E100 VanDerWaalsContact OG-CD 3.23Å; S96-E100 PolarHBondContact OG-OE1 3.43Å; S96-E100 PolarHBondContact OG-OE2 3.46Å; N97-E100 PolarHBondContact ND2-OE1 3.25Å; N97-E100 PolarHBondContact O-N 2.78Å; N97-E100 PolarHBondContact OD1-N 2.83Å; N97-E100 VanDerWaalsContact OD1-N 3.14Å; E100-S104 WeakPolarHBondContact O-CB 3.26Å; E100-S104 PolarHBondContact O-N 3.28Å
101	H	97.8	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-52.5	175.8	-176.2	51.6	0	0	0	112.9	L93 S94 N97 K99 D103 S104 V105 W1103	L93-H101 HydrophobicContact CB-CB 4.12Å; S94-H101 PolarHBondContact N-ND1 2.95Å; S94-H101 WeakPolarHBondContact O-CA 3.5Å; S94-H101 PolarHBondContact O-N 2.99Å; N97-H101 PolarHBondContact O-N 3.48Å; N97-H101 VanDerWaalsContact O-N 3.09Å; K99-H101 PolarHBondContact O-N 3.01Å; H101-D103 VanDerWaalsContact C-N 3.35Å; H101-D103 PolarHBondContact O-N 2.88Å; H101-S104 PolarHBondContact O-N 3.31Å; H101-V105 WeakPolarHBondContact CE1-CG2 3.21Å; H101-V105 WeakPolarHBondContact O-CB 3.38Å; H101-V105 WeakPolarHBondContact O-CG2 3.19Å; H101-V105 PolarHBondContact O-N 2.95Å; H101-W1103 AromaticContact CE1-CD2 3.99Å; H101-W1103 AromaticContact CE1-CE2 3.47Å; H101-W1103 VanDerWaalsContact CE1-CE2 3.47Å; H101-W1103 AromaticContact CE1-CH2 3.7Å; H101-W1103 AromaticContact CE1-CZ2 3.32Å; H101-W1103 WeakPolarHBondContact CE1-CZ2 3.41Å; H101-W1103 AromaticContact CE1-NE1 3.89Å; H101-W1103 AromaticContact NE2-CD2 3.77Å; H101-W1103 AromaticContact NE2-CE2 3.63Å; H101-W1103 AromaticContact NE2-CE3 3.65Å; H101-W1103 AromaticContact NE2-CH2 3.31Å; H101-W1103 VanDerWaalsContact NE2-CH2 3.31Å; H101-W1103 WeakPolarHBondContact NE2-CH2 3.26Å; H101-W1103 AromaticContact NE2-CZ2 3.43Å; H101-W1103 WeakPolarHBondContact NE2-CZ2 3.31Å; H101-W1103 AromaticContact NE2-CZ3 3.43Å; H101-W1103 WeakPolarHBondContact NE2-CZ3 3.34Å
102	L	97.8	Very high	95.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-42.3	179.8	-174.3	69.6	0	0	0	111.5	V98 K99 S104 V105 A106 C1096 V1099 L1100 F1148	V98-L102 WeakPolarHBondContact O-CB 3.42Å; V98-L102 PolarHBondContact O-N 2.81Å; K99-L102 PolarHBondContact O-N 3.44Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.39Å; L102-V105 PolarHBondContact O-N 2.94Å; L102-A106 WeakPolarHBondContact O-CB 3.32Å; L102-A106 PolarHBondContact O-N 3.1Å; L102-C1096 HydrophobicContact CD2-CB 4.34Å; L102-V1099 HydrophobicContact CD1-CB 4.44Å; L102-V1099 HydrophobicContact CD1-CG1 3.9Å; L102-L1100 HydrophobicContact CD1-CD1 4.2Å; L102-L1100 HydrophobicContact CD1-CD2 3.99Å; L102-L1100 HydrophobicContact CD1-CG 3.85Å; L102-F1148 HydrophobicContact CB-CD2 4.35Å; L102-F1148 HydrophobicContact CD2-CB 4.42Å; L102-F1148 HydrophobicContact CD2-CD1 3.64Å; L102-F1148 HydrophobicContact CD2-CD2 3.66Å; L102-F1148 HydrophobicContact CD2-CE1 3.72Å; L102-F1148 HydrophobicContact CD2-CE2 3.7Å; L102-F1148 HydrophobicContact CD2-CG 3.62Å; L102-F1148 HydrophobicContact CD2-CZ 3.75Å
103	D	97.2	Very high	96	Very high	48 Å²	48	43 Å²	43	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-57.3	-48	176.5	-75.5	-28.2	0	0	0	110.8	K99 H101 K107 H381	K99-D103 IonicContact NZ-OD2 3.08Å; K99-D103 PolarHBondContact NZ-OD2 3.49Å; K99-D103 WeakPolarHBondContact O-CB 3.45Å; K99-D103 VanDerWaalsContact O-CG 3.31Å; K99-D103 PolarHBondContact O-N 3.18Å; H101-D103 VanDerWaalsContact C-N 3.35Å; H101-D103 PolarHBondContact O-N 2.88Å; D103-K107 VanDerWaalsContact O-CB 3.3Å; D103-K107 WeakPolarHBondContact O-CB 3.45Å; D103-K107 PolarHBondContact O-N 2.98Å; D103-K107 VanDerWaalsContact O-N 3.14Å; D103-H381 IonicContact OD1-CD2 3.22Å; D103-H381 IonicContact OD1-CE1 3.62Å; D103-H381 IonicContact OD1-NE2 2.78Å; D103-H381 PolarHBondContact OD1-NE2 3.35Å
104	S	97.6	Very high	96.1	Very high	54 Å²	54	43.3 Å²	43.3	38%	0.378	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-50.9	179.5	-175.9	0	0	0	0	111.8	E100 H101 L102 K107 E108	E100-S104 WeakPolarHBondContact O-CB 3.26Å; E100-S104 PolarHBondContact O-N 3.28Å; H101-S104 PolarHBondContact O-N 3.31Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 3.39Å; S104-K107 PolarHBondContact O-N 2.7Å; S104-E108 PolarHBondContact O-N 2.85Å
105	V	97.7	Very high	96.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-46.4	-176.7	166.4	0	0	0	0	111.2	H101 L102 K107 E108 L109 V1099 W1103	H101-V105 WeakPolarHBondContact CE1-CG2 3.21Å; H101-V105 WeakPolarHBondContact O-CB 3.38Å; H101-V105 WeakPolarHBondContact O-CG2 3.19Å; H101-V105 PolarHBondContact O-N 2.95Å; L102-V105 PolarHBondContact O-N 2.94Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.47Å; V105-E108 PolarHBondContact O-N 3.02Å; V105-L109 HydrophobicContact CG1-CD1 3.86Å; V105-L109 HydrophobicContact CG1-CG 4.39Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 3.24Å; V105-V1099 HydrophobicContact CG1-CG1 3.72Å; V105-W1103 HydrophobicContact CG1-CB 3.45Å; V105-W1103 VanDerWaalsContact CG1-CB 3.45Å; V105-W1103 HydrophobicContact CG1-CG 3.83Å; V105-W1103 HydrophobicContact CG2-CB 4.43Å; V105-W1103 HydrophobicContact CG2-CD2 4.32Å; V105-W1103 HydrophobicContact CG2-CG 3.89Å
106	A	97.9	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-39.2	179.5	0	0	0	0	0	111.5	L102 S110 P382 A383 V1099	L102-A106 WeakPolarHBondContact O-CB 3.32Å; L102-A106 PolarHBondContact O-N 3.1Å; A106-S110 WeakPolarHBondContact O-CB 3.38Å; A106-S110 PolarHBondContact O-N 3.06Å; A106-S110 VanDerWaalsContact O-N 3.13Å; A106-S110 PolarHBondContact O-OG 3.03Å; A106-P382 HydrophobicContact CB-CB 4.17Å; A106-P382 HydrophobicContact CB-CG 3.84Å; A106-A383 HydrophobicContact CB-CB 3.89Å; A106-V1099 HydrophobicContact CB-CG1 4Å
107	K	97	Very high	96.6	Very high	142 Å²	142	44.9 Å²	44.9	62%	0.617	22%	0.218	S	C	*	.	H	α-helix	trans	-64.9	-46.8	175.3	-171.3	176.3	-178.5	179.6	0	111.4	D103 S104 V105 L109 S110 H111 P382	D103-K107 VanDerWaalsContact O-CB 3.3Å; D103-K107 WeakPolarHBondContact O-CB 3.45Å; D103-K107 PolarHBondContact O-N 2.98Å; D103-K107 VanDerWaalsContact O-N 3.14Å; S104-K107 PolarHBondContact O-N 2.7Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.47Å; K107-L109 PolarHBondContact O-N 3.28Å; K107-S110 PolarHBondContact O-N 3.34Å; K107-S110 PolarHBondContact O-OG 3.34Å; K107-H111 WeakPolarHBondContact O-CB 3.35Å; K107-H111 PolarHBondContact O-N 3.02Å; K107-P382 HydrophobicContact CB-CG 4.37Å
108	E	96.8	Very high	96.5	Very high	127 Å²	127	49.7 Å²	49.7	59%	0.593	24%	0.24	S	C	*	.	H	α-helix	trans	-57.8	-49.2	178.3	-174.1	-172.1	155.9	0	0	112.1	S104 V105 S110 P112	S104-E108 PolarHBondContact O-N 2.85Å; V105-E108 PolarHBondContact O-N 3.02Å; E108-S110 PolarHBondContact O-N 3.19Å; E108-P112 WeakPolarHBondContact O-CD 3.47Å
109	L	96.4	Very high	96.2	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.12	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-34.2	-176.7	-68.6	175.6	0	0	0	113.4	V105 K107 V1099 R1102 N1106	V105-L109 HydrophobicContact CG1-CD1 3.86Å; V105-L109 HydrophobicContact CG1-CG 4.39Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 3.24Å; K107-L109 PolarHBondContact O-N 3.28Å; L109-V1099 HydrophobicContact CD1-CG1 4.22Å; L109-V1099 WeakPolarHBondContact CD1-O 3.39Å; L109-R1102 HydrophobicContact CD1-CB 3.91Å; L109-R1102 HydrophobicContact CD1-CG 3.87Å; L109-R1102 HydrophobicContact CD2-CG 3.95Å; L109-N1106 WeakPolarHBondContact CD2-ND2 3.49Å
110	S	96.3	Very high	95.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-86.7	-24.8	-177.7	59	0	0	0	0	114	A106 K107 E108 Y113 M114 P382	A106-S110 WeakPolarHBondContact O-CB 3.38Å; A106-S110 PolarHBondContact O-N 3.06Å; A106-S110 VanDerWaalsContact O-N 3.13Å; A106-S110 PolarHBondContact O-OG 3.03Å; K107-S110 PolarHBondContact O-N 3.34Å; K107-S110 PolarHBondContact O-OG 3.34Å; E108-S110 PolarHBondContact O-N 3.19Å; S110-Y113 PolarHBondContact O-N 3.05Å; S110-M114 WeakPolarHBondContact O-CG 3.37Å; S110-M114 PolarHBondContact O-N 3.12Å; S110-P382 WeakPolarHBondContact OG-CB 3.49Å
111	H	96.6	Very high	95	Very high	112 Å²	112	48.7 Å²	48.7	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-55.9	-43.8	-172.4	-176.5	69.6	0	0	0	114.9	K107 Y113 M114 K115	K107-H111 WeakPolarHBondContact O-CB 3.35Å; K107-H111 PolarHBondContact O-N 3.02Å; H111-Y113 VanDerWaalsContact C-N 3.3Å; H111-Y113 PolarHBondContact O-N 3.43Å; H111-M114 PolarHBondContact O-N 2.85Å; H111-K115 PolarHBondContact O-N 2.89Å
112	P	96.7	Very high	94.5	Very high	48 Å²	48	53.8 Å²	53.8	31%	0.312	29%	0.29	S	S	.	.	H	α-helix	trans	-57.9	-43.3	178.8	-24.5	34.5	0	0	0	112.4	E108 K115 L116	E108-P112 WeakPolarHBondContact O-CD 3.47Å; P112-K115 PolarHBondContact O-N 2.85Å; P112-L116 WeakPolarHBondContact O-CG 3.36Å; P112-L116 PolarHBondContact O-N 3.18Å
113	Y	97.2	Very high	94.2	Very high	16 Å²	16	56.2 Å²	56.2	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-75.6	-34.7	-178.3	-58.4	-76	0	0	0	112.8	S110 H111 K115 L116 L117 C219 G242 R244 L389	S110-Y113 PolarHBondContact O-N 3.05Å; H111-Y113 VanDerWaalsContact C-N 3.3Å; H111-Y113 PolarHBondContact O-N 3.43Å; Y113-K115 VanDerWaalsContact C-N 3.31Å; Y113-K115 PolarHBondContact O-N 2.8Å; Y113-L116 HydrophobicContact CD1-CD1 4.45Å; Y113-L116 PolarHBondContact O-N 2.9Å; Y113-L117 PolarHBondContact O-N 3.23Å; Y113-C219 HydrophobicContact CD1-CB 4.35Å; Y113-G242 WeakPolarHBondContact CE1-O 3.49Å; Y113-G242 PolarHBondContact OH-O 2.7Å; Y113-R244 HydrophobicContact CD1-CB 3.89Å; Y113-R244 HydrophobicContact CD1-CG 4.06Å; Y113-R244 HydrophobicContact CE1-CB 3.6Å; Y113-R244 HydrophobicContact CE1-CG 3.41Å; Y113-R244 VanDerWaalsContact CE1-CG 3.41Å; Y113-R244 HydrophobicContact CE2-CG 3.97Å; Y113-R244 WeakPolarHBondContact OH-CG 3.35Å; Y113-L389 HydrophobicContact CD2-CD1 3.65Å; Y113-L389 HydrophobicContact CE2-CD1 4.44Å; Y113-L389 HydrophobicContact CG-CD1 3.77Å
114	M	95.8	Very high	94	Very high	39 Å²	39	55.7 Å²	55.7	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-42.6	171.9	-69.1	-173.7	175.7	0	0	111.2	S110 H111 L116 L117 E118 W372 P382 F385	S110-M114 WeakPolarHBondContact O-CG 3.37Å; S110-M114 PolarHBondContact O-N 3.12Å; H111-M114 PolarHBondContact O-N 2.85Å; M114-L116 VanDerWaalsContact C-N 3.31Å; M114-L116 PolarHBondContact O-N 2.95Å; M114-L117 PolarHBondContact O-N 3.4Å; M114-E118 WeakPolarHBondContact O-CB 3.41Å; M114-E118 WeakPolarHBondContact O-CG 3.18Å; M114-E118 PolarHBondContact O-N 3.24Å; M114-W372 HydrophobicContact CG-CH2 4.42Å; M114-W372 HydrophobicContact CG-CZ2 4.1Å; M114-P382 HydrophobicContact CE-CB 4.18Å; M114-F385 HydrophobicContact CE-CB 4.17Å; M114-F385 HydrophobicContact CE-CD1 3.66Å; M114-F385 HydrophobicContact CE-CG 4.27Å; M114-F385 HydrophobicContact CG-CD1 3.81Å; M114-F385 HydrophobicContact CG-CE1 3.72Å
115	K	95.7	Very high	93.6	Very high	144 Å²	144	60.6 Å²	60.6	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-61.9	-39	176.8	-172.5	-178.5	178.2	-175.7	0	112.1	H111 P112 Y113 E118 S119	H111-K115 PolarHBondContact O-N 2.89Å; P112-K115 PolarHBondContact O-N 2.85Å; Y113-K115 VanDerWaalsContact C-N 3.31Å; Y113-K115 PolarHBondContact O-N 2.8Å; K115-E118 PolarHBondContact O-N 3.48Å; K115-S119 PolarHBondContact O-N 3.3Å
116	L	96	Very high	93.3	Very high	26 Å²	26	63.6 Å²	63.6	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-37.1	175.9	-68.6	173.3	0	0	0	112.6	P112 Y113 M114 E118 S119 D153 A154 S217 C219	P112-L116 WeakPolarHBondContact O-CG 3.36Å; P112-L116 PolarHBondContact O-N 3.18Å; Y113-L116 HydrophobicContact CD1-CD1 4.45Å; Y113-L116 PolarHBondContact O-N 2.9Å; M114-L116 VanDerWaalsContact C-N 3.31Å; M114-L116 PolarHBondContact O-N 2.95Å; L116-E118 VanDerWaalsContact C-N 3.29Å; L116-E118 PolarHBondContact O-N 2.86Å; L116-S119 PolarHBondContact O-N 3.27Å; L116-S119 PolarHBondContact O-OG 3.08Å; L116-D153 HydrophobicContact CD2-CB 3.77Å; L116-A154 HydrophobicContact CB-CB 4.02Å; L116-A154 HydrophobicContact CD2-CB 4.22Å; L116-A154 WeakPolarHBondContact O-CB 3.47Å; L116-S217 WeakPolarHBondContact CD1-O 3.33Å; L116-C219 HydrophobicContact CB-CB 4.01Å; L116-C219 HydrophobicContact CD1-CB 3.88Å
117	L	93.9	Very high	93.1	Very high	9 Å²	9	64 Å²	64	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-35.3	173.3	-79.3	166.6	0	0	0	112.1	Y113 M114 I221 V246 I368 W372 F385	Y113-L117 PolarHBondContact O-N 3.23Å; M114-L117 PolarHBondContact O-N 3.4Å; L117-I221 HydrophobicContact CD2-CD1 3.56Å; L117-I221 HydrophobicContact CD2-CG1 3.69Å; L117-V246 HydrophobicContact CD1-CG2 4.15Å; L117-V246 HydrophobicContact CD2-CB 4.39Å; L117-V246 HydrophobicContact CD2-CG1 4.19Å; L117-V246 HydrophobicContact CD2-CG2 4.22Å; L117-V246 HydrophobicContact CG-CG2 4.49Å; L117-I368 HydrophobicContact CD2-CG1 4.37Å; L117-W372 HydrophobicContact CD1-CD2 4.06Å; L117-W372 HydrophobicContact CD1-CE3 4.03Å; L117-W372 HydrophobicContact CD1-CH2 3.64Å; L117-W372 HydrophobicContact CD1-CZ2 3.66Å; L117-W372 HydrophobicContact CD1-CZ3 3.83Å; L117-F385 HydrophobicContact CD1-CE1 4.16Å; L117-F385 HydrophobicContact CD1-CE2 3.94Å; L117-F385 HydrophobicContact CD1-CZ 3.38Å
118	E	92.4	Very high	92.8	Very high	108 Å²	108	65 Å²	65	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-86.3	-7.9	-177.4	-68.1	173.7	172.1	0	0	113.4	M114 K115 L116 F120 K376	M114-E118 WeakPolarHBondContact O-CB 3.41Å; M114-E118 WeakPolarHBondContact O-CG 3.18Å; M114-E118 PolarHBondContact O-N 3.24Å; K115-E118 PolarHBondContact O-N 3.48Å; L116-E118 VanDerWaalsContact C-N 3.29Å; L116-E118 PolarHBondContact O-N 2.86Å; E118-F120 VanDerWaalsContact C-N 3.33Å; E118-K376 IonicContact OE1-NZ 2.67Å; E118-K376 PolarHBondContact OE1-NZ 3.25Å
119	S	90	Very high	92.6	Very high	65 Å²	65	65 Å²	65	46%	0.455	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.5	179.9	59.7	0	0	0	0	114.5	K115 L116 G121	K115-S119 PolarHBondContact O-N 3.3Å; L116-S119 PolarHBondContact O-N 3.27Å; L116-S119 PolarHBondContact O-OG 3.08Å; S119-G121 PolarHBondContact O-N 2.94Å
120	F	84.5	Confident	92.5	Very high	17 Å²	17	64.1 Å²	64.1	8%	0.075	34%	0.343	C	S	.	.			trans	-71.8	111.1	179.7	-77.2	-83.3	0	0	0	111.4	E118 A154 I156 I221 Y365	E118-F120 VanDerWaalsContact C-N 3.33Å; F120-A154 HydrophobicContact CD2-CB 4.35Å; F120-A154 HydrophobicContact CE2-CB 3.49Å; F120-A154 VanDerWaalsContact CE2-CB 3.49Å; F120-A154 VanDerWaalsContact CZ-C 3.45Å; F120-A154 HydrophobicContact CZ-CB 3.64Å; F120-I156 HydrophobicContact CD1-CG1 4.49Å; F120-I156 HydrophobicContact CE1-CD1 3.97Å; F120-I156 HydrophobicContact CE1-CG1 3.83Å; F120-I156 HydrophobicContact CE2-CD1 4.09Å; F120-I156 HydrophobicContact CZ-CD1 3.7Å; F120-I156 HydrophobicContact CZ-CG1 4.01Å; F120-I221 HydrophobicContact CD2-CD1 4.33Å; F120-I221 HydrophobicContact CE2-CD1 3.42Å; F120-I221 VanDerWaalsContact CE2-CD1 3.42Å; F120-I221 HydrophobicContact CZ-CD1 3.92Å; F120-Y365 HydrophobicContact CB-CE2 4.16Å; F120-Y365 HydrophobicContact CD1-CD2 4.47Å; F120-Y365 HydrophobicContact CD1-CE2 4.44Å
121	G	83	Confident	92.4	Very high	42 Å²	42	68 Å²	68	43%	0.433	36%	0.361	S	S	.	.			trans	-82.2	-159.8	167	0	0	0	0	0	112.2	S119 Y365	S119-G121 PolarHBondContact O-N 2.94Å; G121-Y365 PolarHBondContact O-OH 3.18Å
122	S	88.5	Confident	92.1	Very high	108 Å²	108	66.1 Å²	66.1	76%	0.755	36%	0.36	S	S	*	.	S	Bend	trans	-60.4	141.6	172.6	-58.1	0	0	0	0	111.2
123	P	91.2	Very high	91.8	Very high	51 Å²	51	65.9 Å²	65.9	33%	0.331	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-69.6	140.9	-178.8	30.2	-32.6	0	0	0	110.3	L175 L362 Y365	P123-L175 HydrophobicContact CB-CD1 4.22Å; P123-L175 HydrophobicContact CB-CD2 4.1Å; P123-L362 HydrophobicContact CB-CD1 4.3Å; P123-L362 HydrophobicContact CG-CD1 4.18Å; P123-Y365 HydrophobicContact CB-CD1 4.49Å; P123-Y365 HydrophobicContact CB-CE1 4.27Å; P123-Y365 WeakPolarHBondContact CD-OH 3.41Å; P123-Y365 HydrophobicContact CG-CD1 4.31Å; P123-Y365 HydrophobicContact CG-CE1 3.84Å
124	P	92.2	Very high	91.6	Very high	38 Å²	38	67.3 Å²	67.3	25%	0.247	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-60.4	158.9	170	-22	34.3	0	0	0	112.2	L126 W180	P124-L126 PolarHBondContact O-N 2.79Å; P124-W180 PolarHBondContact O-NE1 3.44Å
125	E	90.1	Very high	91.5	Very high	156 Å²	156	66.4 Å²	66.4	73%	0.729	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-59.6	136.2	177.4	-164.2	176.6	173.6	0	0	111
126	L	92.3	Very high	91.6	Very high	64 Å²	64	59.7 Å²	59.7	34%	0.335	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-63	132.5	-179.1	-167.4	88.1	0	0	0	109.9	P124 K128 W180 A358	P124-L126 PolarHBondContact O-N 2.79Å; L126-K128 PolarHBondContact O-N 3.36Å; L126-W180 HydrophobicContact CD1-CD2 4.42Å; L126-W180 HydrophobicContact CD1-CH2 3.78Å; L126-W180 HydrophobicContact CD1-CZ2 3.6Å; L126-W180 HydrophobicContact CD1-CZ3 4.26Å; L126-A358 HydrophobicContact CD1-CB 3.83Å
127	P	92.8	Very high	91.6	Very high	10 Å²	10	58.6 Å²	58.6	7%	0.065	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-58.6	137.5	173.5	-24	34.6	0	0	0	111.6	W130 Y139 W180	P127-W130 HydrophobicContact CB-CH2 4.39Å; P127-W130 HydrophobicContact CB-CZ2 4.31Å; P127-W130 HydrophobicContact CG-CH2 3.84Å; P127-W130 HydrophobicContact CG-CZ2 4.16Å; P127-W130 HydrophobicContact CG-CZ3 4.06Å; P127-Y139 HydrophobicContact CB-CD1 3.83Å; P127-Y139 HydrophobicContact CB-CE1 4.39Å; P127-Y139 HydrophobicContact CB-CG 4.14Å; P127-Y139 HydrophobicContact CG-CD1 3.93Å; P127-Y139 HydrophobicContact CG-CD2 4.26Å; P127-Y139 HydrophobicContact CG-CG 3.69Å; P127-W180 HydrophobicContact CG-CB 3.74Å; P127-W180 HydrophobicContact CG-CG 4.03Å
128	K	90	Very high	91.8	Very high	162 Å²	162	59.2 Å²	59.2	70%	0.704	34%	0.34	S	S	*	.	S	Bend	trans	-79.2	-29.7	177.4	-66.1	175.5	-175.8	163.5	0	112.9	L126	L126-K128 PolarHBondContact O-N 3.36Å
129	I	93.6	Very high	91.9	Very high	128 Å²	128	54.4 Å²	54.4	66%	0.656	32%	0.317	S	S	*	.	S	Bend	trans	-136	131.2	-177.6	-59.4	176.5	0	0	0	108.1
130	W	94.5	Very high	91.8	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.011	32%	0.319	C	S	.	.			trans	-97	135.1	176.6	-60.1	95.1	0	0	0	110.8	P127 Y139 V173 W180 F350 Q351 F354 N355 A358	P127-W130 HydrophobicContact CB-CH2 4.39Å; P127-W130 HydrophobicContact CB-CZ2 4.31Å; P127-W130 HydrophobicContact CG-CH2 3.84Å; P127-W130 HydrophobicContact CG-CZ2 4.16Å; P127-W130 HydrophobicContact CG-CZ3 4.06Å; W130-Y139 HydrophobicContact CE3-CD2 4.39Å; W130-Y139 HydrophobicContact CE3-CE1 4.33Å; W130-Y139 AromaticContact CE3-CE2 3.73Å; W130-Y139 HydrophobicContact CE3-CE2 3.73Å; W130-Y139 AromaticContact CE3-CZ 3.7Å; W130-Y139 HydrophobicContact CZ3-CD2 4.1Å; W130-Y139 AromaticContact CZ3-CE2 3.81Å; W130-Y139 HydrophobicContact CZ3-CE2 3.81Å; W130-V173 HydrophobicContact CH2-CG1 4.14Å; W130-W180 HydrophobicContact CH2-CB 4.41Å; W130-W180 HydrophobicContact CH2-CD2 4.49Å; W130-W180 HydrophobicContact CH2-CE3 4.07Å; W130-F350 HydrophobicContact CB-CE1 4.14Å; W130-Q351 PolarHBondContact O-NE2 2.82Å; W130-F354 HydrophobicContact CB-CB 4.01Å; W130-F354 HydrophobicContact CB-CG 4.18Å; W130-F354 HydrophobicContact CD2-CB 3.91Å; W130-F354 HydrophobicContact CD2-CD1 4.33Å; W130-F354 HydrophobicContact CD2-CG 4.36Å; W130-F354 HydrophobicContact CE3-CD1 4.29Å; W130-F354 HydrophobicContact CG-CB 3.55Å; W130-F354 HydrophobicContact CG-CG 4.11Å; W130-N355 PolarHBondContact NE1-OD1 3.42Å; W130-A358 HydrophobicContact CH2-CB 3.94Å; W130-A358 HydrophobicContact CZ2-CB 3.53Å
131	E	93.3	Very high	91.8	Very high	83 Å²	83	57.3 Å²	57.3	39%	0.388	34%	0.341	S	S	.	.			trans	-78.6	133.2	179.5	-169.4	62.4	-123.9	0	0	111.2	S133 T137 Y139	E131-S133 VanDerWaalsContact C-N 3.33Å; E131-S133 VanDerWaalsContact CG-OG 3.3Å; E131-S133 WeakPolarHBondContact CG-OG 3.45Å; E131-T137 HydrophobicContact CB-CG2 4.07Å; E131-Y139 WeakPolarHBondContact CB-OH 3.48Å; E131-Y139 PolarHBondContact N-OH 2.87Å
132	S	90.2	Very high	91.8	Very high	71 Å²	71	62.8 Å²	62.8	50%	0.497	36%	0.361	S	S	.	.			trans	-87.7	2.4	-178.5	61.2	0	0	0	0	114.6	F350	S132-F350 VanDerWaalsContact CA-CZ 3.5Å
133	S	91	Very high	91.8	Very high	44 Å²	44	64.1 Å²	64.1	31%	0.308	35%	0.353	S	S	.	.			trans	-62.2	142.2	176.7	63.6	0	0	0	0	111.1	E131 T137 T184	E131-S133 VanDerWaalsContact C-N 3.33Å; E131-S133 VanDerWaalsContact CG-OG 3.3Å; E131-S133 WeakPolarHBondContact CG-OG 3.45Å; S133-T137 PolarHBondContact OG-OG1 3.35Å; S133-T184 VanDerWaalsContact O-CB 3.27Å; S133-T184 WeakPolarHBondContact O-CB 3.35Å; S133-T184 PolarHBondContact O-OG1 3.12Å
134	S	92.2	Very high	92	Very high	45 Å²	45	65 Å²	65	32%	0.315	36%	0.357	S	S	.	.	S	Bend	trans	-74.6	145.5	-179.3	-175.7	0	0	0	0	112.1	T184 K186	S134-T184 WeakPolarHBondContact CA-O 3.49Å; S134-T184 PolarHBondContact OG-O 2.95Å; S134-K186 WeakPolarHBondContact OG-CA 3.4Å; S134-K186 WeakPolarHBondContact OG-CG 3.26Å; S134-K186 PolarHBondContact OG-N 3.32Å
135	G	94.3	Very high	92.1	Very high	20 Å²	20	68.7 Å²	68.7	21%	0.206	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.3	-162.3	-176.1	0	0	0	0	0	111.8	W183 T184	G135-W183 VanDerWaalsContact O-CA 3.31Å; G135-W183 WeakPolarHBondContact O-CA 3.48Å; G135-T184 PolarHBondContact N-O 3.32Å; G135-T184 PolarHBondContact O-N 3.17Å; G135-T184 VanDerWaalsContact O-N 3.09Å
136	W	97.1	Very high	92.3	Very high	3 Å²	3	66 Å²	66	1%	0.011	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.1	-178	-74.5	106.9	0	0	0	112.2	S146 V147 P150 F157 A174 Y181 S182 W183 I206 P207 I208	W136-S146 WeakPolarHBondContact O-CA 3.45Å; W136-V147 HydrophobicContact CB-CG2 3.67Å; W136-V147 WeakPolarHBondContact CB-O 3.23Å; W136-V147 PolarHBondContact O-N 3.29Å; W136-P150 HydrophobicContact CD2-CG 4.16Å; W136-P150 HydrophobicContact CE3-CG 4.26Å; W136-P150 HydrophobicContact CH2-CG 3.83Å; W136-P150 HydrophobicContact CZ2-CG 3.72Å; W136-P150 HydrophobicContact CZ3-CG 4.12Å; W136-F157 HydrophobicContact CH2-CD2 4.22Å; W136-F157 AromaticContact CH2-CE2 3.79Å; W136-F157 HydrophobicContact CH2-CE2 3.79Å; W136-F157 HydrophobicContact CZ2-CE2 4.23Å; W136-A174 HydrophobicContact CH2-CB 4.08Å; W136-A174 HydrophobicContact CZ3-CB 4.09Å; W136-Y181 HydrophobicContact CE3-CD1 4.5Å; W136-S182 CarbonylContact C-O 3.55Å; W136-S182 VanDerWaalsContact CA-O 3.32Å; W136-S182 WeakPolarHBondContact CA-O 3.36Å; W136-W183 AromaticContact CD1-CD1 3.58Å; W136-W183 HydrophobicContact CD2-CB 3.75Å; W136-W183 AromaticContact CD2-CD1 3.89Å; W136-W183 HydrophobicContact CD2-CG 4.22Å; W136-W183 AromaticContact CE2-CD1 3.8Å; W136-W183 HydrophobicContact CE3-CB 3.73Å; W136-W183 HydrophobicContact CG-CB 4.4Å; W136-W183 AromaticContact CG-CD1 3.79Å; W136-W183 HydrophobicContact CH2-CB 4.14Å; W136-W183 HydrophobicContact CZ2-CB 4.15Å; W136-W183 HydrophobicContact CZ3-CB 3.92Å; W136-W183 AromaticContact NE1-CD1 3.56Å; W136-I206 HydrophobicContact CH2-CG2 4.34Å; W136-I206 HydrophobicContact CZ2-CG2 3.34Å; W136-P207 PolarHBondContact NE1-O 3.03Å; W136-I208 HydrophobicContact CZ2-CD1 3.96Å
137	T	97.2	Very high	92.5	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.6	169.8	-62.8	0	0	0	0	108.9	E131 S133 Y139 T144 Y145 Y181 S182	E131-T137 HydrophobicContact CB-CG2 4.07Å; S133-T137 PolarHBondContact OG-OG1 3.35Å; T137-Y139 HydrophobicContact CG2-CD2 4.5Å; T137-Y139 HydrophobicContact CG2-CE1 4.26Å; T137-Y139 HydrophobicContact CG2-CE2 3.87Å; T137-Y139 VanDerWaalsContact O-CE2 3.31Å; T137-Y139 WeakPolarHBondContact O-CE2 3.35Å; T137-T144 HydrophobicContact CG2-CG2 4.41Å; T137-Y145 CarbonylContact C-O 3.49Å; T137-Y145 WeakPolarHBondContact CA-O 3.33Å; T137-Y181 CarbonylContact O-C 3.53Å; T137-Y181 VanDerWaalsContact O-CA 3.22Å; T137-Y181 WeakPolarHBondContact O-CA 3.33Å; T137-S182 PolarHBondContact N-O 3.09Å; T137-S182 PolarHBondContact O-N 3.48Å
138	K	96.7	Very high	92.6	Very high	22 Å²	22	70 Å²	70	10%	0.096	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.2	172.1	-177	175.2	-175.1	161.6	0	109.9	T144 Y145 V147 L151 E152 Y181	K138-T144 CarbonylContact O-C 3.54Å; K138-T144 VanDerWaalsContact O-CA 3.29Å; K138-T144 WeakPolarHBondContact O-CA 3.49Å; K138-Y145 PolarHBondContact N-O 3.1Å; K138-Y145 PolarHBondContact O-N 3.45Å; K138-V147 HydrophobicContact CB-CG1 4.34Å; K138-V147 HydrophobicContact CB-CG2 4.5Å; K138-L151 HydrophobicContact CD-CD1 4.17Å; K138-E152 IonicContact NZ-OE1 2.72Å; K138-E152 PolarHBondContact NZ-OE1 2.71Å; K138-Y181 HydrophobicContact CB-CD1 3.79Å; K138-Y181 HydrophobicContact CB-CE1 3.48Å; K138-Y181 VanDerWaalsContact CB-CE1 3.48Å; K138-Y181 HydrophobicContact CD-CE1 3.82Å; K138-Y181 VanDerWaalsContact CD-OH 3.3Å; K138-Y181 WeakPolarHBondContact CD-OH 3.4Å; K138-Y181 WeakPolarHBondContact CE-OH 3.3Å; K138-Y181 HydrophobicContact CG-CD1 4.15Å; K138-Y181 HydrophobicContact CG-CE1 3.56Å; K138-Y181 HydrophobicContact CG-CE2 4.3Å; K138-Y181 PolarHBondContact NZ-OH 3.05Å
139	Y	96	Very high	92.8	Very high	7 Å²	7	62.6 Å²	62.6	3%	0.027	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.4	175.2	-55.1	-101.2	0	0	0	109.3	P127 W130 E131 T137 K143 T144 G179 W180 S182	P127-Y139 HydrophobicContact CB-CD1 3.83Å; P127-Y139 HydrophobicContact CB-CE1 4.39Å; P127-Y139 HydrophobicContact CB-CG 4.14Å; P127-Y139 HydrophobicContact CG-CD1 3.93Å; P127-Y139 HydrophobicContact CG-CD2 4.26Å; P127-Y139 HydrophobicContact CG-CG 3.69Å; W130-Y139 HydrophobicContact CE3-CD2 4.39Å; W130-Y139 HydrophobicContact CE3-CE1 4.33Å; W130-Y139 AromaticContact CE3-CE2 3.73Å; W130-Y139 HydrophobicContact CE3-CE2 3.73Å; W130-Y139 AromaticContact CE3-CZ 3.7Å; W130-Y139 HydrophobicContact CZ3-CD2 4.1Å; W130-Y139 AromaticContact CZ3-CE2 3.81Å; W130-Y139 HydrophobicContact CZ3-CE2 3.81Å; E131-Y139 WeakPolarHBondContact CB-OH 3.48Å; E131-Y139 PolarHBondContact N-OH 2.87Å; T137-Y139 HydrophobicContact CG2-CD2 4.5Å; T137-Y139 HydrophobicContact CG2-CE1 4.26Å; T137-Y139 HydrophobicContact CG2-CE2 3.87Å; T137-Y139 VanDerWaalsContact O-CE2 3.31Å; T137-Y139 WeakPolarHBondContact O-CE2 3.35Å; Y139-K143 WeakPolarHBondContact CA-O 3.41Å; Y139-T144 HydrophobicContact CD1-CG2 3.53Å; Y139-T144 HydrophobicContact CE1-CG2 3.62Å; Y139-T144 HydrophobicContact CG-CG2 4.44Å; Y139-G179 WeakPolarHBondContact O-CA 3.36Å; Y139-W180 HydrophobicContact CD2-CB 4.4Å; Y139-W180 WeakPolarHBondContact CD2-O 3.48Å; Y139-W180 PolarHBondContact N-O 2.87Å; Y139-W180 PolarHBondContact O-N 3.21Å; Y139-S182 VanDerWaalsContact CE2-OG 3.26Å; Y139-S182 WeakPolarHBondContact CE2-OG 3.46Å; Y139-S182 PolarHBondContact OH-OG 2.78Å
140	N	88.2	Confident	92.9	Very high	91 Å²	91	56.6 Å²	56.6	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	96	174	-173.6	-3.7	0	0	0	108.9	D142 K143	N140-D142 PolarHBondContact O-N 2.87Å; N140-K143 PolarHBondContact N-O 2.89Å; N140-K143 PolarHBondContact O-N 2.89Å
141	G	83.7	Confident	92.9	Very high	53 Å²	53	60.2 Å²	60.2	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-128.8	-164.8	0	0	0	0	0	110.3	K143	G141-K143 VanDerWaalsContact C-N 3.29Å; G141-K143 PolarHBondContact O-N 3.17Å
142	D	82.4	Confident	92.9	Very high	157 Å²	157	57.6 Å²	57.6	84%	0.84	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.7	179.2	-60.7	-40.9	0	0	0	114	N140	N140-D142 PolarHBondContact O-N 2.87Å
143	K	89.4	Confident	93.2	Very high	136 Å²	136	56.8 Å²	56.8	59%	0.591	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	134	-177.9	-63.2	-175.6	-175.2	174.6	0	111.6	Y139 N140 G141 Y145	Y139-K143 WeakPolarHBondContact CA-O 3.41Å; N140-K143 PolarHBondContact N-O 2.89Å; N140-K143 PolarHBondContact O-N 2.89Å; G141-K143 VanDerWaalsContact C-N 3.29Å; G141-K143 PolarHBondContact O-N 3.17Å; K143-Y145 HydrophobicContact CB-CE2 3.72Å; K143-Y145 VanDerWaalsContact CD-OH 3.27Å; K143-Y145 WeakPolarHBondContact CD-OH 3.33Å
144	T	94	Very high	93.4	Very high	69 Å²	69	55 Å²	55	42%	0.423	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143	175.3	59	0	0	0	0	111.6	T137 K138 Y139	T137-T144 HydrophobicContact CG2-CG2 4.41Å; K138-T144 CarbonylContact O-C 3.54Å; K138-T144 VanDerWaalsContact O-CA 3.29Å; K138-T144 WeakPolarHBondContact O-CA 3.49Å; Y139-T144 HydrophobicContact CD1-CG2 3.53Å; Y139-T144 HydrophobicContact CE1-CG2 3.62Å; Y139-T144 HydrophobicContact CG-CG2 4.44Å
145	Y	94.4	Very high	93.6	Very high	115 Å²	115	52.9 Å²	52.9	45%	0.451	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.6	179	-55.1	-89.1	0	0	0	109.9	T137 K138 K143	T137-Y145 CarbonylContact C-O 3.49Å; T137-Y145 WeakPolarHBondContact CA-O 3.33Å; K138-Y145 PolarHBondContact N-O 3.1Å; K138-Y145 PolarHBondContact O-N 3.45Å; K143-Y145 HydrophobicContact CB-CE2 3.72Å; K143-Y145 VanDerWaalsContact CD-OH 3.27Å; K143-Y145 WeakPolarHBondContact CD-OH 3.33Å
146	S	95.5	Very high	93.8	Very high	99 Å²	99	51.9 Å²	51.9	69%	0.692	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.7	169.1	-174.8	0	0	0	0	109.6	W136	W136-S146 WeakPolarHBondContact O-CA 3.45Å
147	V	95.8	Very high	93.8	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.8	-178.5	-63.7	0	0	0	0	110.1	W136 K138 Y181	W136-V147 HydrophobicContact CB-CG2 3.67Å; W136-V147 WeakPolarHBondContact CB-O 3.23Å; W136-V147 PolarHBondContact O-N 3.29Å; K138-V147 HydrophobicContact CB-CG1 4.34Å; K138-V147 HydrophobicContact CB-CG2 4.5Å; V147-Y181 HydrophobicContact CG2-CD1 4.26Å; V147-Y181 HydrophobicContact CG2-CE1 4.14Å
148	E	94.6	Very high	93.8	Very high	128 Å²	128	52.7 Å²	52.7	60%	0.598	29%	0.287	S	S	*	.	S	Bend	trans	-74.2	-34.8	177.2	-66.9	-175.8	175	0	0	112.6	S211	E148-S211 WeakPolarHBondContact OE2-CB 3.4Å; E148-S211 PolarHBondContact OE2-N 3.46Å; E148-S211 PolarHBondContact OE2-OG 2.97Å
149	A	95.6	Very high	93.8	Very high	8 Å²	8	51.8 Å²	51.8	7%	0.066	28%	0.283	C	S	.	.	S	Bend	trans	-160.6	163.9	-178	0	0	0	0	0	109.7	L151	A149-L151 PolarHBondContact O-N 3.28Å
150	P	95.6	Very high	93.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.013	29%	0.287	C	S	.	.			trans	-58.5	132.3	175.7	-24	34.9	0	0	0	112.1	W136 L155 Y181 I208 K218	W136-P150 HydrophobicContact CD2-CG 4.16Å; W136-P150 HydrophobicContact CE3-CG 4.26Å; W136-P150 HydrophobicContact CH2-CG 3.83Å; W136-P150 HydrophobicContact CZ2-CG 3.72Å; W136-P150 HydrophobicContact CZ3-CG 4.12Å; P150-L155 HydrophobicContact CB-CD1 4.22Å; P150-L155 HydrophobicContact CB-CD2 3.33Å; P150-L155 HydrophobicContact CB-CG 4.37Å; P150-L155 HydrophobicContact CG-CD1 4.48Å; P150-L155 HydrophobicContact CG-CD2 3.84Å; P150-Y181 HydrophobicContact CB-CD1 4.43Å; P150-Y181 HydrophobicContact CB-CE1 4.32Å; P150-I208 HydrophobicContact CG-CD1 4.34Å; P150-K218 PolarHBondContact O-NZ 3.3Å
151	L	94	Very high	94	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.414	27%	0.265	S	S	.	.	S	Bend	trans	-76	-35	-170.1	-62.2	178.7	0	0	0	112.2	K138 A149 Y181 K212	K138-L151 HydrophobicContact CD-CD1 4.17Å; A149-L151 PolarHBondContact O-N 3.28Å; L151-Y181 PolarHBondContact N-OH 3.3Å; L151-K212 PolarHBondContact O-NZ 2.61Å
152	E	93.8	Very high	94.4	Very high	28 Å²	28	46.2 Å²	46.2	13%	0.131	24%	0.24	C	C	.	.	S	Bend	trans	-82	164.7	-179.5	-56.6	76.5	-148	0	0	111.9	K138 T176 D178 Y181 K218	K138-E152 IonicContact NZ-OE1 2.72Å; K138-E152 PolarHBondContact NZ-OE1 2.71Å; E152-T176 HydrophobicContact CB-CG2 4.11Å; E152-T176 WeakPolarHBondContact OE2-CB 3.27Å; E152-T176 WeakPolarHBondContact OE2-CG2 3.49Å; E152-T176 PolarHBondContact OE2-OG1 3.3Å; E152-D178 HydrophobicContact CG-CB 4.23Å; E152-Y181 PolarHBondContact OE1-OH 3.01Å; E152-Y181 VanDerWaalsContact OE1-OH 3.08Å; E152-Y181 VanDerWaalsContact OE2-CE2 3.27Å; E152-Y181 WeakPolarHBondContact OE2-CE2 3.41Å; E152-Y181 VanDerWaalsContact OE2-CZ 3.26Å; E152-Y181 PolarHBondContact OE2-OH 2.71Å; E152-K218 PolarHBondContact O-NZ 2.88Å
153	D	95	Very high	94.6	Very high	54 Å²	54	42.4 Å²	42.4	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	-98.8	-9.9	-173.4	-61.7	-38.4	0	0	0	113.4	L116 K218 C219	L116-D153 HydrophobicContact CD2-CB 3.77Å; D153-K218 HydrophobicContact CB-CG 4.04Å; D153-K218 CarbonylContact O-C 3.45Å; D153-K218 VanDerWaalsContact O-CA 3.26Å; D153-K218 WeakPolarHBondContact O-CA 3.16Å; D153-K218 VanDerWaalsContact OD1-CE 3.23Å; D153-K218 WeakPolarHBondContact OD1-CE 3.01Å; D153-C219 PolarHBondContact O-N 3.22Å
154	A	95.8	Very high	94.4	Very high	6 Å²	6	42.9 Å²	42.9	5%	0.05	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.2	175.9	0	0	0	0	0	109.7	L116 F120 C219	L116-A154 HydrophobicContact CB-CB 4.02Å; L116-A154 HydrophobicContact CD2-CB 4.22Å; L116-A154 WeakPolarHBondContact O-CB 3.47Å; F120-A154 HydrophobicContact CD2-CB 4.35Å; F120-A154 HydrophobicContact CE2-CB 3.49Å; F120-A154 VanDerWaalsContact CE2-CB 3.49Å; F120-A154 VanDerWaalsContact CZ-C 3.45Å; F120-A154 HydrophobicContact CZ-CB 3.64Å; A154-C219 WeakPolarHBondContact CA-O 3.28Å
155	L	96.6	Very high	93.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.2	-171.4	-64.7	147.3	0	0	0	109.9	P150 A174 T176 I208 C219 V220 I221	P150-L155 HydrophobicContact CB-CD1 4.22Å; P150-L155 HydrophobicContact CB-CD2 3.33Å; P150-L155 HydrophobicContact CB-CG 4.37Å; P150-L155 HydrophobicContact CG-CD1 4.48Å; P150-L155 HydrophobicContact CG-CD2 3.84Å; L155-A174 HydrophobicContact CD2-CB 4.01Å; L155-T176 HydrophobicContact CD2-CG2 3.36Å; L155-T176 HydrophobicContact CG-CG2 4.21Å; L155-I208 HydrophobicContact CD1-CD1 4.44Å; L155-I208 HydrophobicContact CD1-CG2 4.23Å; L155-C219 PolarHBondContact N-O 3.05Å; L155-V220 HydrophobicContact CB-CG2 4.27Å; L155-V220 HydrophobicContact CD1-CG2 4.04Å; L155-V220 CarbonylContact O-C 3.48Å; L155-V220 WeakPolarHBondContact O-CA 3.41Å; L155-I221 PolarHBondContact O-N 3.48Å
156	I	98	Very high	93.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.8	156.3	-43.7	-58.7	0	0	0	106.6	F120 A174 L175 I221 V361 T364 Y365 I368	F120-I156 HydrophobicContact CD1-CG1 4.49Å; F120-I156 HydrophobicContact CE1-CD1 3.97Å; F120-I156 HydrophobicContact CE1-CG1 3.83Å; F120-I156 HydrophobicContact CE2-CD1 4.09Å; F120-I156 HydrophobicContact CZ-CD1 3.7Å; F120-I156 HydrophobicContact CZ-CG1 4.01Å; I156-A174 CarbonylContact O-C 3.46Å; I156-A174 WeakPolarHBondContact O-CA 3.3Å; I156-L175 HydrophobicContact CB-CB 4.23Å; I156-L175 HydrophobicContact CG1-CD2 4.47Å; I156-L175 PolarHBondContact N-O 3.35Å; I156-L175 PolarHBondContact O-N 2.85Å; I156-I221 CarbonylContact C-O 3.58Å; I156-I221 WeakPolarHBondContact CA-O 3.28Å; I156-I221 HydrophobicContact CD1-CB 3.67Å; I156-I221 HydrophobicContact CD1-CD1 3.59Å; I156-I221 HydrophobicContact CD1-CG1 4.23Å; I156-I221 HydrophobicContact CD1-CG2 3.9Å; I156-V361 HydrophobicContact CB-CG1 3.96Å; I156-V361 HydrophobicContact CG2-CG1 3.85Å; I156-V361 WeakPolarHBondContact CG2-O 3.23Å; I156-T364 HydrophobicContact CG2-CG2 3.71Å; I156-Y365 HydrophobicContact CG1-CD2 4.29Å; I156-I368 HydrophobicContact CD1-CG2 4.19Å
157	F	97.9	Very high	92.8	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.2	-165.6	179.8	-105.8	0	0	0	111.8	W136 T159 A172 A174 I206 V220 I221 D228 I232	W136-F157 HydrophobicContact CH2-CD2 4.22Å; W136-F157 AromaticContact CH2-CE2 3.79Å; W136-F157 HydrophobicContact CH2-CE2 3.79Å; W136-F157 HydrophobicContact CZ2-CE2 4.23Å; F157-T159 HydrophobicContact CE1-CG2 4.22Å; F157-T159 HydrophobicContact CZ-CG2 4.47Å; F157-A172 HydrophobicContact CE2-CB 3.61Å; F157-A172 HydrophobicContact CZ-CB 3.83Å; F157-A174 HydrophobicContact CD2-CB 4.1Å; F157-I206 HydrophobicContact CE2-CD1 4.48Å; F157-I206 HydrophobicContact CZ-CD1 3.79Å; F157-I206 HydrophobicContact CZ-CG2 4.41Å; F157-V220 HydrophobicContact CB-CG1 3.64Å; F157-V220 HydrophobicContact CD1-CG1 4.09Å; F157-V220 HydrophobicContact CG-CG1 4.16Å; F157-I221 PolarHBondContact N-O 3.08Å; F157-D228 HydrophobicContact CD1-CB 3.91Å; F157-D228 HydrophobicContact CE1-CB 3.79Å; F157-I232 HydrophobicContact CE1-CD1 4.37Å; F157-I232 HydrophobicContact CE1-CG1 4.48Å
158	D	97.7	Very high	92.5	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.112	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.4	172.6	-175	59.7	0	0	0	110.1	A172 V173 V361	D158-A172 CarbonylContact O-C 3.6Å; D158-A172 VanDerWaalsContact O-CA 3.27Å; D158-A172 WeakPolarHBondContact O-CA 3.5Å; D158-A172 WeakPolarHBondContact O-CB 3.37Å; D158-V173 PolarHBondContact N-O 2.99Å; D158-V173 VanDerWaalsContact N-O 3.11Å; D158-V173 PolarHBondContact O-N 2.91Å; D158-V361 HydrophobicContact CB-CG2 3.54Å
159	T	96.5	Very high	92.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.5	178.7	-171.8	0	0	0	0	112.5	F157 M171 D228 R231	F157-T159 HydrophobicContact CE1-CG2 4.22Å; F157-T159 HydrophobicContact CZ-CG2 4.47Å; T159-M171 WeakPolarHBondContact CA-O 3.36Å; T159-M171 PolarHBondContact OG1-O 3.31Å; T159-D228 HydrophobicContact CG2-CB 3.83Å; T159-R231 HydrophobicContact CG2-CB 4.17Å; T159-R231 HydrophobicContact CG2-CG 4.4Å
160	E	95.4	Very high	92.4	Very high	27 Å²	27	32.6 Å²	32.6	13%	0.126	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.3	180	-71.4	-68.9	-175.7	0	0	112.4	T170 M171 F338 C357	E160-T170 WeakPolarHBondContact O-CB 3.44Å; E160-T170 PolarHBondContact O-N 3.36Å; E160-M171 HydrophobicContact CB-CG 4.05Å; E160-M171 PolarHBondContact N-O 2.86Å; E160-M171 PolarHBondContact O-N 2.89Å; E160-F338 HydrophobicContact CB-CD1 3.99Å; E160-F338 HydrophobicContact CB-CD2 3.98Å; E160-F338 HydrophobicContact CB-CE1 3.75Å; E160-F338 HydrophobicContact CB-CE2 3.73Å; E160-F338 HydrophobicContact CB-CG 4.1Å; E160-F338 HydrophobicContact CB-CZ 3.6Å; E160-F338 HydrophobicContact CG-CD2 3.85Å; E160-F338 HydrophobicContact CG-CE1 4.46Å; E160-F338 HydrophobicContact CG-CE2 3.51Å; E160-F338 HydrophobicContact CG-CG 4.45Å; E160-F338 HydrophobicContact CG-CZ 3.85Å; E160-C357 WeakPolarHBondContact CG-SG 3.47Å
161	V	93.2	Very high	92.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.17	C	C	.	.			trans	-130	129.5	-175.8	176.7	0	0	0	0	109.4	V163 G166 Y227 R231	V161-V163 PolarHBondContact O-N 2.82Å; V161-V163 VanDerWaalsContact O-N 3.12Å; V161-G166 WeakPolarHBondContact CG1-O 3.32Å; V161-Y227 HydrophobicContact CG2-CE1 4.37Å; V161-R231 HydrophobicContact CG2-CG 4.34Å
162	L	91.5	Very high	92.5	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.15	C	C	.	.			trans	-77.4	93.6	171.2	-169.8	60.6	0	0	0	110.9	K164 E165 G166 T170 I337 F338 I343 V346	L162-K164 VanDerWaalsContact C-N 3.31Å; L162-K164 PolarHBondContact O-N 3.23Å; L162-E165 HydrophobicContact CB-CB 4.33Å; L162-E165 HydrophobicContact CD2-CB 4.05Å; L162-E165 HydrophobicContact CD2-CG 3.44Å; L162-E165 VanDerWaalsContact CD2-CG 3.44Å; L162-E165 HydrophobicContact CG-CB 4.08Å; L162-E165 HydrophobicContact CG-CG 3.79Å; L162-E165 PolarHBondContact O-N 2.98Å; L162-G166 PolarHBondContact O-N 3.34Å; L162-T170 PolarHBondContact N-OG1 3.38Å; L162-T170 VanDerWaalsContact N-OG1 3.15Å; L162-I337 WeakPolarHBondContact CD1-O 3.44Å; L162-F338 WeakPolarHBondContact CA-O 3.45Å; L162-I343 HydrophobicContact CD2-CB 4.11Å; L162-V346 HydrophobicContact CD1-CG2 4.34Å
163	V	86.7	Confident	92.7	Very high	77 Å²	77	27.4 Å²	27.4	47%	0.467	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-60.4	-34.7	-165.1	179.6	0	0	0	0	113.5	V161 E165 F338	V161-V163 PolarHBondContact O-N 2.82Å; V161-V163 VanDerWaalsContact O-N 3.12Å; V163-E165 PolarHBondContact O-N 3.07Å; V163-F338 PolarHBondContact N-O 3.03Å
164	K	84	Confident	92.9	Very high	146 Å²	146	24.8 Å²	24.8	64%	0.635	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-68	-24.4	177.9	-77.6	-174.3	171.5	175.3	0	113.5	L162 S340	L162-K164 VanDerWaalsContact C-N 3.31Å; L162-K164 PolarHBondContact O-N 3.23Å; K164-S340 WeakPolarHBondContact CD-O 3.48Å; K164-S340 WeakPolarHBondContact CE-O 3.5Å; K164-S340 PolarHBondContact NZ-O 3.34Å
165	E	81	Confident	92.9	Very high	95 Å²	95	24.6 Å²	24.6	44%	0.444	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-100.8	-3.7	-173.7	-68.4	-64.7	152.8	0	0	113.3	L162 V163 R187	L162-E165 HydrophobicContact CB-CB 4.33Å; L162-E165 HydrophobicContact CD2-CB 4.05Å; L162-E165 HydrophobicContact CD2-CG 3.44Å; L162-E165 VanDerWaalsContact CD2-CG 3.44Å; L162-E165 HydrophobicContact CG-CB 4.08Å; L162-E165 HydrophobicContact CG-CG 3.79Å; L162-E165 PolarHBondContact O-N 2.98Å; V163-E165 PolarHBondContact O-N 3.07Å; E165-R187 IonicContact OE2-NH2 3.03Å
166	G	83.5	Confident	92.8	Very high	27 Å²	27	24.6 Å²	24.6	28%	0.278	13%	0.128	S	C	.	.			trans	134.4	-160.9	176.6	0	0	0	0	0	114.1	V161 L162	V161-G166 WeakPolarHBondContact CG1-O 3.32Å; L162-G166 PolarHBondContact O-N 3.34Å
167	H	87.2	Confident	92.5	Very high	81 Å²	81	27.1 Å²	27.1	38%	0.375	15%	0.146	S	C	.	.	S	Bend	trans	-109.4	-8.4	-174	-63.5	-52.1	0	0	0	115.1	R231 M836	H167-R231 PolarHBondContact O-NE 3.29Å; H167-R231 VanDerWaalsContact O-NE 3.13Å; H167-R231 PolarHBondContact O-NH2 2.98Å; H167-M836 HydrophobicContact CB-CB 4.47Å; H167-M836 HydrophobicContact CB-CG 4.07Å; H167-M836 HydrophobicContact CB-SD 3.93Å
168	V	89.3	Confident	92.1	Very high	21 Å²	21	31.2 Å²	31.2	13%	0.127	17%	0.168	C	C	.	.	S	Bend	trans	-72.1	146.9	-179.5	-65.2	0	0	0	0	111.8	R187 A201	V168-R187 VanDerWaalsContact CG2-NH1 3.34Å; V168-A201 HydrophobicContact CG1-CB 4.13Å
169	P	94.1	Very high	91.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.			trans	-63.9	140.1	-178.9	25.5	-31.3	0	0	0	112	W183 S185 S204 I206 R231	P169-W183 HydrophobicContact CB-CH2 4.21Å; P169-W183 HydrophobicContact CB-CZ3 3.78Å; P169-W183 HydrophobicContact CG-CH2 3.79Å; P169-W183 HydrophobicContact CG-CZ3 3.9Å; P169-S185 WeakPolarHBondContact O-CB 3.43Å; P169-S185 PolarHBondContact O-OG 3.06Å; P169-S204 WeakPolarHBondContact CG-O 3.41Å; P169-I206 HydrophobicContact CB-CD1 3.74Å; P169-I206 HydrophobicContact CB-CG1 4.05Å; P169-I206 HydrophobicContact CG-CD1 4.04Å; P169-I206 HydrophobicContact CG-CG1 3.8Å; P169-R231 HydrophobicContact CB-CB 3.95Å; P169-R231 HydrophobicContact CB-CG 3.88Å; P169-R231 HydrophobicContact CG-CB 3.91Å; P169-R231 HydrophobicContact CG-CG 4.02Å
170	T	93.6	Very high	91.9	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	16%	0.162	C	C	.	.			trans	-97.9	-44.9	176.3	-57.7	0	0	0	0	110.9	E160 L162 S185 L188 V346	E160-T170 WeakPolarHBondContact O-CB 3.44Å; E160-T170 PolarHBondContact O-N 3.36Å; L162-T170 PolarHBondContact N-OG1 3.38Å; L162-T170 VanDerWaalsContact N-OG1 3.15Å; T170-S185 WeakPolarHBondContact O-CB 3.37Å; T170-S185 PolarHBondContact O-N 3.29Å; T170-S185 VanDerWaalsContact O-N 3.11Å; T170-L188 HydrophobicContact CG2-CD1 3.98Å; T170-L188 HydrophobicContact CG2-CD2 4.18Å; T170-L188 HydrophobicContact CG2-CG 4.23Å; T170-L188 WeakPolarHBondContact O-CD1 3.29Å; T170-V346 HydrophobicContact CG2-CG1 4.12Å
171	M	95.3	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.8	175.6	56.2	178.7	59.7	0	0	111.2	T159 E160 W183 L188 F338 V346 L353 F354	T159-M171 WeakPolarHBondContact CA-O 3.36Å; T159-M171 PolarHBondContact OG1-O 3.31Å; E160-M171 HydrophobicContact CB-CG 4.05Å; E160-M171 PolarHBondContact N-O 2.86Å; E160-M171 PolarHBondContact O-N 2.89Å; M171-W183 CarbonylContact C-O 3.57Å; M171-W183 VanDerWaalsContact CA-O 3.29Å; M171-W183 WeakPolarHBondContact CA-O 3.44Å; M171-L188 HydrophobicContact CE-CD1 4.26Å; M171-F338 HydrophobicContact CE-CE1 4.48Å; M171-F338 HydrophobicContact CE-CZ 4.47Å; M171-F338 HydrophobicContact CG-CE1 4.36Å; M171-F338 HydrophobicContact CG-CZ 4.27Å; M171-F338 HydrophobicContact SD-CE1 4.17Å; M171-F338 HydrophobicContact SD-CZ 3.73Å; M171-V346 HydrophobicContact CE-CG1 3.56Å; M171-L353 HydrophobicContact CE-CB 4.3Å; M171-L353 HydrophobicContact SD-CB 4.1Å; M171-F354 HydrophobicContact CB-CE1 4.02Å; M171-F354 HydrophobicContact CB-CE2 3.91Å; M171-F354 HydrophobicContact CB-CZ 3.49Å; M171-F354 VanDerWaalsContact CB-CZ 3.49Å; M171-F354 HydrophobicContact CE-CD2 3.84Å; M171-F354 HydrophobicContact CE-CE2 3.58Å; M171-F354 HydrophobicContact CE-CZ 4.33Å; M171-F354 HydrophobicContact CG-CZ 4.41Å; M171-F354 HydrophobicContact SD-CD2 3.94Å; M171-F354 HydrophobicContact SD-CE2 3.91Å; M171-F354 HydrophobicContact SD-CG 4.31Å; M171-F354 HydrophobicContact SD-CZ 4.26Å
172	A	97.5	Very high	92.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.5	172.1	0	0	0	0	0	111.9	F157 D158 S182 W183 I206	F157-A172 HydrophobicContact CE2-CB 3.61Å; F157-A172 HydrophobicContact CZ-CB 3.83Å; D158-A172 CarbonylContact O-C 3.6Å; D158-A172 VanDerWaalsContact O-CA 3.27Å; D158-A172 WeakPolarHBondContact O-CA 3.5Å; D158-A172 WeakPolarHBondContact O-CB 3.37Å; A172-S182 CarbonylContact O-C 3.58Å; A172-S182 WeakPolarHBondContact O-CA 3.29Å; A172-W183 HydrophobicContact CB-CB 4.13Å; A172-W183 PolarHBondContact N-O 3.35Å; A172-W183 PolarHBondContact O-N 2.88Å; A172-I206 HydrophobicContact CB-CD1 3.64Å
173	V	97.9	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.8	174.2	178.5	0	0	0	0	109	W130 D158 W180 Y181 F354 C357 A358 V361	W130-V173 HydrophobicContact CH2-CG1 4.14Å; D158-V173 PolarHBondContact N-O 2.99Å; D158-V173 VanDerWaalsContact N-O 3.11Å; D158-V173 PolarHBondContact O-N 2.91Å; V173-W180 HydrophobicContact CG1-CE3 3.7Å; V173-W180 HydrophobicContact CG1-CZ3 3.73Å; V173-Y181 WeakPolarHBondContact CA-O 3.47Å; V173-F354 HydrophobicContact CG2-CD1 3.61Å; V173-F354 HydrophobicContact CG2-CE1 4.03Å; V173-C357 HydrophobicContact CB-CB 4.24Å; V173-C357 HydrophobicContact CG2-CB 3.64Å; V173-A358 HydrophobicContact CG1-CB 3.99Å; V173-V361 HydrophobicContact CB-CG2 4.1Å; V173-V361 HydrophobicContact CG1-CG2 4.14Å
174	A	97.9	Very high	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.6	170	0	0	0	0	0	112.2	W136 L155 I156 F157 W180 Y181	W136-A174 HydrophobicContact CH2-CB 4.08Å; W136-A174 HydrophobicContact CZ3-CB 4.09Å; L155-A174 HydrophobicContact CD2-CB 4.01Å; I156-A174 CarbonylContact O-C 3.46Å; I156-A174 WeakPolarHBondContact O-CA 3.3Å; F157-A174 HydrophobicContact CD2-CB 4.1Å; A174-W180 CarbonylContact O-C 3.55Å; A174-Y181 PolarHBondContact N-O 2.96Å; A174-Y181 PolarHBondContact O-N 2.82Å
175	L	96.6	Very high	93.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	174	167.2	66	0	0	0	109.1	P123 I156 W180 V361 Y365	P123-L175 HydrophobicContact CB-CD1 4.22Å; P123-L175 HydrophobicContact CB-CD2 4.1Å; I156-L175 HydrophobicContact CB-CB 4.23Å; I156-L175 HydrophobicContact CG1-CD2 4.47Å; I156-L175 PolarHBondContact N-O 3.35Å; I156-L175 PolarHBondContact O-N 2.85Å; L175-W180 HydrophobicContact CB-CD2 4.47Å; L175-W180 HydrophobicContact CB-CE3 4.15Å; L175-W180 HydrophobicContact CB-CH2 4.24Å; L175-W180 HydrophobicContact CB-CZ3 4.04Å; L175-W180 HydrophobicContact CD1-CD2 4.1Å; L175-W180 HydrophobicContact CD1-CH2 4.47Å; L175-W180 HydrophobicContact CD1-CZ2 3.95Å; L175-W180 HydrophobicContact CD2-CH2 4.22Å; L175-W180 HydrophobicContact CD2-CZ2 4.19Å; L175-W180 HydrophobicContact CG-CZ2 4.47Å; L175-V361 HydrophobicContact CB-CG1 3.49Å; L175-V361 VanDerWaalsContact CB-CG1 3.49Å; L175-V361 HydrophobicContact CD2-CG1 4.37Å; L175-Y365 HydrophobicContact CD2-CD2 4.05Å; L175-Y365 HydrophobicContact CD2-CG 3.91Å
176	T	95.2	Very high	93.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.112	C	C	.	.			trans	-123.5	179.4	173.5	74.2	0	0	0	0	110.7	E152 L155 D178 G179 Y181	E152-T176 HydrophobicContact CB-CG2 4.11Å; E152-T176 WeakPolarHBondContact OE2-CB 3.27Å; E152-T176 WeakPolarHBondContact OE2-CG2 3.49Å; E152-T176 PolarHBondContact OE2-OG1 3.3Å; L155-T176 HydrophobicContact CD2-CG2 3.36Å; L155-T176 HydrophobicContact CG-CG2 4.21Å; T176-D178 PolarHBondContact O-N 3.39Å; T176-D178 PolarHBondContact OG1-N 3.21Å; T176-G179 PolarHBondContact N-O 2.99Å; T176-G179 PolarHBondContact OG1-N 3.38Å; T176-G179 PolarHBondContact OG1-O 2.99Å; T176-Y181 HydrophobicContact CG2-CD2 4.06Å; T176-Y181 HydrophobicContact CG2-CE2 3.65Å
177	S	90.3	Very high	93.6	Very high	53 Å²	53	21.5 Å²	21.5	37%	0.371	11%	0.107	S	C	.	.	S	Bend	trans	-60.6	-26.8	172.9	56.7	0	0	0	0	113.3
178	D	90.3	Very high	93.5	Very high	87 Å²	87	18.3 Å²	18.3	47%	0.465	9%	0.092	S	C	.	.	S	Bend	trans	-110.8	-15.5	-166.1	-71.9	20.2	0	0	0	113.2	E152 T176	E152-D178 HydrophobicContact CG-CB 4.23Å; T176-D178 PolarHBondContact O-N 3.39Å; T176-D178 PolarHBondContact OG1-N 3.21Å
179	G	92.7	Very high	92.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.			trans	178.1	175.8	-179.9	0	0	0	0	0	115.1	Y139 T176	Y139-G179 WeakPolarHBondContact O-CA 3.36Å; T176-G179 PolarHBondContact N-O 2.99Å; T176-G179 PolarHBondContact OG1-N 3.38Å; T176-G179 PolarHBondContact OG1-O 2.99Å
180	W	96.9	Very high	91.6	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	154.8	170.2	-74.1	88.6	0	0	0	110.2	P124 L126 P127 W130 Y139 V173 A174 L175 A358 V361 L362	P124-W180 PolarHBondContact O-NE1 3.44Å; L126-W180 HydrophobicContact CD1-CD2 4.42Å; L126-W180 HydrophobicContact CD1-CH2 3.78Å; L126-W180 HydrophobicContact CD1-CZ2 3.6Å; L126-W180 HydrophobicContact CD1-CZ3 4.26Å; P127-W180 HydrophobicContact CG-CB 3.74Å; P127-W180 HydrophobicContact CG-CG 4.03Å; W130-W180 HydrophobicContact CH2-CB 4.41Å; W130-W180 HydrophobicContact CH2-CD2 4.49Å; W130-W180 HydrophobicContact CH2-CE3 4.07Å; Y139-W180 HydrophobicContact CD2-CB 4.4Å; Y139-W180 WeakPolarHBondContact CD2-O 3.48Å; Y139-W180 PolarHBondContact N-O 2.87Å; Y139-W180 PolarHBondContact O-N 3.21Å; V173-W180 HydrophobicContact CG1-CE3 3.7Å; V173-W180 HydrophobicContact CG1-CZ3 3.73Å; A174-W180 CarbonylContact O-C 3.55Å; L175-W180 HydrophobicContact CB-CD2 4.47Å; L175-W180 HydrophobicContact CB-CE3 4.15Å; L175-W180 HydrophobicContact CB-CH2 4.24Å; L175-W180 HydrophobicContact CB-CZ3 4.04Å; L175-W180 HydrophobicContact CD1-CD2 4.1Å; L175-W180 HydrophobicContact CD1-CH2 4.47Å; L175-W180 HydrophobicContact CD1-CZ2 3.95Å; L175-W180 HydrophobicContact CD2-CH2 4.22Å; L175-W180 HydrophobicContact CD2-CZ2 4.19Å; L175-W180 HydrophobicContact CG-CZ2 4.47Å; W180-A358 HydrophobicContact CE3-CB 4.41Å; W180-A358 HydrophobicContact CH2-CB 4.33Å; W180-A358 WeakPolarHBondContact CH2-O 3.43Å; W180-A358 HydrophobicContact CZ3-CB 3.83Å; W180-V361 HydrophobicContact CH2-CG1 4.17Å; W180-V361 HydrophobicContact CZ3-CB 4.14Å; W180-V361 HydrophobicContact CZ3-CG1 3.8Å; W180-L362 HydrophobicContact CH2-CB 4.23Å; W180-L362 HydrophobicContact CZ2-CD1 4.49Å
181	Y	97.6	Very high	89.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.3	176.3	-64.6	-100.8	0	0	0	110.5	W136 T137 K138 V147 P150 L151 E152 V173 A174 T176	W136-Y181 HydrophobicContact CE3-CD1 4.5Å; T137-Y181 CarbonylContact O-C 3.53Å; T137-Y181 VanDerWaalsContact O-CA 3.22Å; T137-Y181 WeakPolarHBondContact O-CA 3.33Å; K138-Y181 HydrophobicContact CB-CD1 3.79Å; K138-Y181 HydrophobicContact CB-CE1 3.48Å; K138-Y181 VanDerWaalsContact CB-CE1 3.48Å; K138-Y181 HydrophobicContact CD-CE1 3.82Å; K138-Y181 VanDerWaalsContact CD-OH 3.3Å; K138-Y181 WeakPolarHBondContact CD-OH 3.4Å; K138-Y181 WeakPolarHBondContact CE-OH 3.3Å; K138-Y181 HydrophobicContact CG-CD1 4.15Å; K138-Y181 HydrophobicContact CG-CE1 3.56Å; K138-Y181 HydrophobicContact CG-CE2 4.3Å; K138-Y181 PolarHBondContact NZ-OH 3.05Å; V147-Y181 HydrophobicContact CG2-CD1 4.26Å; V147-Y181 HydrophobicContact CG2-CE1 4.14Å; P150-Y181 HydrophobicContact CB-CD1 4.43Å; P150-Y181 HydrophobicContact CB-CE1 4.32Å; L151-Y181 PolarHBondContact N-OH 3.3Å; E152-Y181 PolarHBondContact OE1-OH 3.01Å; E152-Y181 VanDerWaalsContact OE1-OH 3.08Å; E152-Y181 VanDerWaalsContact OE2-CE2 3.27Å; E152-Y181 WeakPolarHBondContact OE2-CE2 3.41Å; E152-Y181 VanDerWaalsContact OE2-CZ 3.26Å; E152-Y181 PolarHBondContact OE2-OH 2.71Å; V173-Y181 WeakPolarHBondContact CA-O 3.47Å; A174-Y181 PolarHBondContact N-O 2.96Å; A174-Y181 PolarHBondContact O-N 2.82Å; T176-Y181 HydrophobicContact CG2-CD2 4.06Å; T176-Y181 HydrophobicContact CG2-CE2 3.65Å
182	S	97.4	Very high	87.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.8	168	65	0	0	0	0	109.8	W136 T137 Y139 A172	W136-S182 CarbonylContact C-O 3.55Å; W136-S182 VanDerWaalsContact CA-O 3.32Å; W136-S182 WeakPolarHBondContact CA-O 3.36Å; T137-S182 PolarHBondContact N-O 3.09Å; T137-S182 PolarHBondContact O-N 3.48Å; Y139-S182 VanDerWaalsContact CE2-OG 3.26Å; Y139-S182 WeakPolarHBondContact CE2-OG 3.46Å; Y139-S182 PolarHBondContact OH-OG 2.78Å; A172-S182 CarbonylContact O-C 3.58Å; A172-S182 WeakPolarHBondContact O-CA 3.29Å
183	W	97.3	Very high	85.8	Confident	16 Å²	16	42.8 Å²	42.8	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	167.3	-176.9	91	0	0	0	109.9	G135 W136 P169 M171 A172 S204 I206	G135-W183 VanDerWaalsContact O-CA 3.31Å; G135-W183 WeakPolarHBondContact O-CA 3.48Å; W136-W183 AromaticContact CD1-CD1 3.58Å; W136-W183 HydrophobicContact CD2-CB 3.75Å; W136-W183 AromaticContact CD2-CD1 3.89Å; W136-W183 HydrophobicContact CD2-CG 4.22Å; W136-W183 AromaticContact CE2-CD1 3.8Å; W136-W183 HydrophobicContact CE3-CB 3.73Å; W136-W183 HydrophobicContact CG-CB 4.4Å; W136-W183 AromaticContact CG-CD1 3.79Å; W136-W183 HydrophobicContact CH2-CB 4.14Å; W136-W183 HydrophobicContact CZ2-CB 4.15Å; W136-W183 HydrophobicContact CZ3-CB 3.92Å; W136-W183 AromaticContact NE1-CD1 3.56Å; P169-W183 HydrophobicContact CB-CH2 4.21Å; P169-W183 HydrophobicContact CB-CZ3 3.78Å; P169-W183 HydrophobicContact CG-CH2 3.79Å; P169-W183 HydrophobicContact CG-CZ3 3.9Å; M171-W183 CarbonylContact C-O 3.57Å; M171-W183 VanDerWaalsContact CA-O 3.29Å; M171-W183 WeakPolarHBondContact CA-O 3.44Å; A172-W183 HydrophobicContact CB-CB 4.13Å; A172-W183 PolarHBondContact N-O 3.35Å; A172-W183 PolarHBondContact O-N 2.88Å; W183-S204 WeakPolarHBondContact CH2-O 3Å; W183-I206 HydrophobicContact CD2-CD1 4.29Å; W183-I206 HydrophobicContact CD2-CG1 3.67Å; W183-I206 HydrophobicContact CD2-CG2 4.47Å; W183-I206 HydrophobicContact CE3-CD1 3.99Å; W183-I206 HydrophobicContact CE3-CG1 3.72Å; W183-I206 HydrophobicContact CG-CG1 4.25Å; W183-I206 HydrophobicContact CG-CG2 4.21Å; W183-I206 HydrophobicContact CH2-CG1 4.03Å; W183-I206 HydrophobicContact CZ2-CG1 3.98Å; W183-I206 HydrophobicContact CZ3-CD1 4.31Å; W183-I206 HydrophobicContact CZ3-CG1 3.91Å
184	T	95.6	Very high	83.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.5	-179.1	-51.9	0	0	0	0	110.7	S133 S134 G135 L188 F350	S133-T184 VanDerWaalsContact O-CB 3.27Å; S133-T184 WeakPolarHBondContact O-CB 3.35Å; S133-T184 PolarHBondContact O-OG1 3.12Å; S134-T184 WeakPolarHBondContact CA-O 3.49Å; S134-T184 PolarHBondContact OG-O 2.95Å; G135-T184 PolarHBondContact N-O 3.32Å; G135-T184 PolarHBondContact O-N 3.17Å; G135-T184 VanDerWaalsContact O-N 3.09Å; T184-L188 HydrophobicContact CG2-CB 4.07Å; T184-L188 HydrophobicContact CG2-CD1 3.71Å; T184-F350 HydrophobicContact CG2-CE2 3.97Å; T184-F350 HydrophobicContact CG2-CZ 4.34Å
185	S	92.8	Very high	81.4	Confident	3 Å²	3	53 Å²	53	2%	0.021	27%	0.266	C	S	.	.			trans	-63.2	141.3	178.3	-176.4	0	0	0	0	111.9	P169 T170 R187 L188	P169-S185 WeakPolarHBondContact O-CB 3.43Å; P169-S185 PolarHBondContact O-OG 3.06Å; T170-S185 WeakPolarHBondContact O-CB 3.37Å; T170-S185 PolarHBondContact O-N 3.29Å; T170-S185 VanDerWaalsContact O-N 3.11Å; S185-R187 PolarHBondContact O-N 3.05Å; S185-R187 VanDerWaalsContact O-N 3.07Å; S185-R187 PolarHBondContact OG-N 3.5Å; S185-L188 PolarHBondContact O-N 3.02Å
186	K	87.9	Confident	79	Confident	130 Å²	130	58 Å²	58	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-55.6	-27.8	175.5	-70.2	178.5	179.8	173.3	0	112.7	S134 L188 S189 V190	S134-K186 WeakPolarHBondContact OG-CA 3.4Å; S134-K186 WeakPolarHBondContact OG-CG 3.26Å; S134-K186 PolarHBondContact OG-N 3.32Å; K186-L188 PolarHBondContact O-N 3.07Å; K186-S189 PolarHBondContact O-N 2.77Å; K186-S189 VanDerWaalsContact O-N 3.12Å; K186-V190 PolarHBondContact O-N 3.13Å
187	R	83.3	Confident	76.8	Confident	45 Å²	45	63.5 Å²	63.5	17%	0.17	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-28.5	177.9	-62.9	178.3	64.9	-179.5	1.9	112.8	E165 V168 S185 S189 I343 R347	E165-R187 IonicContact OE2-NH2 3.03Å; V168-R187 VanDerWaalsContact CG2-NH1 3.34Å; S185-R187 PolarHBondContact O-N 3.05Å; S185-R187 VanDerWaalsContact O-N 3.07Å; S185-R187 PolarHBondContact OG-N 3.5Å; R187-S189 VanDerWaalsContact C-N 3.34Å; R187-I343 HydrophobicContact CB-CD1 3.92Å; R187-I343 VanDerWaalsContact O-CD1 3.31Å; R187-I343 WeakPolarHBondContact O-CD1 3.48Å; R187-R347 PolarHBondContact O-NH2 3.29Å
188	L	84.7	Confident	75.1	Confident	15 Å²	15	66.4 Å²	66.4	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-74.7	-29.1	177	-69	172.2	0	0	0	111.7	T170 M171 T184 S185 K186 I343 V346 R347 F350	T170-L188 HydrophobicContact CG2-CD1 3.98Å; T170-L188 HydrophobicContact CG2-CD2 4.18Å; T170-L188 HydrophobicContact CG2-CG 4.23Å; T170-L188 WeakPolarHBondContact O-CD1 3.29Å; M171-L188 HydrophobicContact CE-CD1 4.26Å; T184-L188 HydrophobicContact CG2-CB 4.07Å; T184-L188 HydrophobicContact CG2-CD1 3.71Å; S185-L188 PolarHBondContact O-N 3.02Å; K186-L188 PolarHBondContact O-N 3.07Å; L188-I343 HydrophobicContact CD2-CD1 4.37Å; L188-I343 HydrophobicContact CD2-CG1 3.81Å; L188-V346 HydrophobicContact CD1-CG1 4.37Å; L188-V346 HydrophobicContact CD2-CB 4.19Å; L188-V346 HydrophobicContact CD2-CG1 3.72Å; L188-R347 HydrophobicContact CD2-CG 4.14Å; L188-R347 PolarHBondContact O-NE 3.14Å; L188-R347 PolarHBondContact O-NH2 2.86Å; L188-F350 HydrophobicContact CD1-CE2 4.41Å
189	S	75.9	Confident	73.3	Confident	64 Å²	64	69.5 Å²	69.5	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-92	-27.4	-176.7	-37.7	0	0	0	0	114	K186 R187	K186-S189 PolarHBondContact O-N 2.77Å; K186-S189 VanDerWaalsContact O-N 3.12Å; R187-S189 VanDerWaalsContact C-N 3.34Å
190	V	66.9	Low	72.1	Confident	84 Å²	84	73 Å²	73	51%	0.509	38%	0.376	S	S	.	.			trans	-115.6	125.3	-174.9	-175.1	0	0	0	0	110.2	K186 D192	K186-V190 PolarHBondContact O-N 3.13Å; V190-D192 HydrophobicContact CG1-CB 4.37Å; V190-D192 PolarHBondContact O-N 3.29Å
191	Y	54.6	Low	71.5	Confident	178 Å²	178	73.2 Å²	73.2	70%	0.698	38%	0.378	S	S	*	.			trans	-83.5	98.2	172.1	-141.1	-78.5	0	0	0	108.3	R347	Y191-R347 VanDerWaalsContact CE2-NH1 3.33Å
192	D	56.2	Low	71.1	Confident	76 Å²	76	73.6 Å²	73.6	41%	0.406	38%	0.38	S	S	.	.			trans	-140.1	114.9	173.8	-171.5	-1.3	0	0	0	110.2	V190 N194 Y195	V190-D192 HydrophobicContact CG1-CB 4.37Å; V190-D192 PolarHBondContact O-N 3.29Å; D192-N194 PolarHBondContact O-N 3.45Å; D192-N194 WeakPolarHBondContact OD1-CB 3.33Å; D192-N194 PolarHBondContact OD1-N 2.91Å; D192-Y195 HydrophobicContact CB-CD2 4.27Å
193	D	54	Low	70.7	Confident	141 Å²	141	78 Å²	78	75%	0.754	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.4	-179.5	-71.9	-27.4	0	0	0	112.8
194	N	49.9	Very low	70.4	Confident	126 Å²	126	78 Å²	78	67%	0.674	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	5.6	-175	-73.1	-46.5	0	0	0	115.7	D192 S196	D192-N194 PolarHBondContact O-N 3.45Å; D192-N194 WeakPolarHBondContact OD1-CB 3.33Å; D192-N194 PolarHBondContact OD1-N 2.91Å; N194-S196 PolarHBondContact O-N 2.69Å
195	Y	52.5	Low	70.4	Confident	89 Å²	89	78.2 Å²	78.2	35%	0.349	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	9.2	-178	-105.8	-89.5	0	0	0	115.3	D192 N197 N200	D192-Y195 HydrophobicContact CB-CD2 4.27Å; Y195-N197 PolarHBondContact O-N 3.48Å; Y195-N200 HydrophobicContact CE1-CB 4.37Å
196	S	47.1	Very low	70.5	Confident	105 Å²	105	78 Å²	78	73%	0.734	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	5.1	-179.5	58.7	0	0	0	0	115.2	N194	N194-S196 PolarHBondContact O-N 2.69Å
197	N	48.3	Very low	70.9	Confident	117 Å²	117	73.3 Å²	73.3	63%	0.626	39%	0.389	S	S	*	.			trans	-106.1	119.5	177.8	-74.3	-37.8	0	0	0	112	Y195 I199	Y195-N197 PolarHBondContact O-N 3.48Å; N197-I199 PolarHBondContact O-N 3.38Å
198	D	55	Low	71.5	Confident	115 Å²	115	71.1 Å²	71.1	62%	0.615	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-48.4	-15.5	178.8	-99.1	-28.5	0	0	0	115.9	N200 A201	D198-N200 PolarHBondContact O-N 2.92Å; D198-N200 VanDerWaalsContact O-N 3.13Å; D198-A201 VanDerWaalsContact O-CB 3.24Å; D198-A201 WeakPolarHBondContact O-CB 3.21Å; D198-A201 PolarHBondContact O-N 3.23Å
199	I	52.3	Low	72	Confident	151 Å²	151	70.6 Å²	70.6	77%	0.774	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-61.7	-25.2	-172.9	-67.2	173.1	0	0	0	112.9	N197	N197-I199 PolarHBondContact O-N 3.38Å
200	N	67.9	Low	72.6	Confident	74 Å²	74	68.8 Å²	68.8	40%	0.396	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-103.4	12.5	175.9	-88.3	-29	0	0	0	114.4	Y195 D198 F202 N203 S204	Y195-N200 HydrophobicContact CE1-CB 4.37Å; D198-N200 PolarHBondContact O-N 2.92Å; D198-N200 VanDerWaalsContact O-N 3.13Å; N200-F202 VanDerWaalsContact C-N 3.34Å; N200-F202 PolarHBondContact O-N 3.3Å; N200-N203 PolarHBondContact O-N 3.35Å; N200-N203 PolarHBondContact OD1-ND2 2.96Å; N200-S204 PolarHBondContact O-N 3.15Å; N200-S204 PolarHBondContact O-OG 3.26Å
201	A	84.1	Confident	73.5	Confident	8 Å²	8	69.6 Å²	69.6	7%	0.066	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-42.3	-178.4	0	0	0	0	0	112.2	V168 D198 N203 S204 I838	V168-A201 HydrophobicContact CG1-CB 4.13Å; D198-A201 VanDerWaalsContact O-CB 3.24Å; D198-A201 WeakPolarHBondContact O-CB 3.21Å; D198-A201 PolarHBondContact O-N 3.23Å; A201-N203 PolarHBondContact O-N 3.09Å; A201-S204 WeakPolarHBondContact O-CB 3.42Å; A201-S204 PolarHBondContact O-N 3.36Å; A201-S204 VanDerWaalsContact O-N 3.09Å; A201-I838 HydrophobicContact CB-CD1 3.67Å
202	F	90.5	Very high	74.9	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.035	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-58.6	-45.4	178.3	-178.4	-96.4	0	0	0	112.9	N200 S204 L205 L233 L237 I838 L840 P841 Q844	N200-F202 VanDerWaalsContact C-N 3.34Å; N200-F202 PolarHBondContact O-N 3.3Å; F202-S204 PolarHBondContact O-N 3.08Å; F202-L205 HydrophobicContact CD2-CD1 4.28Å; F202-L205 WeakPolarHBondContact O-CB 3.24Å; F202-L205 WeakPolarHBondContact O-CG 3.45Å; F202-L205 PolarHBondContact O-N 3.18Å; F202-L233 HydrophobicContact CE1-CD1 4.14Å; F202-L233 HydrophobicContact CE1-CD2 4.25Å; F202-L233 HydrophobicContact CE1-CG 4.13Å; F202-L233 HydrophobicContact CE2-CD2 4.33Å; F202-L233 HydrophobicContact CE2-CG 4.09Å; F202-L233 HydrophobicContact CZ-CD1 4.28Å; F202-L233 HydrophobicContact CZ-CD2 3.69Å; F202-L233 HydrophobicContact CZ-CG 3.75Å; F202-L237 HydrophobicContact CZ-CD2 4.23Å; F202-I838 HydrophobicContact CB-CG2 3.86Å; F202-I838 HydrophobicContact CD2-CG2 3.92Å; F202-I838 HydrophobicContact CG-CG2 4.41Å; F202-L840 HydrophobicContact CD2-CD2 3.69Å; F202-L840 HydrophobicContact CE2-CD2 3.43Å; F202-L840 VanDerWaalsContact CE2-CD2 3.43Å; F202-L840 HydrophobicContact CZ-CD2 4.18Å; F202-P841 HydrophobicContact CD1-CG 3.84Å; F202-P841 HydrophobicContact CE1-CG 4.44Å; F202-P841 HydrophobicContact CG-CG 4.35Å; F202-Q844 HydrophobicContact CE1-CG 3.91Å; F202-Q844 HydrophobicContact CZ-CG 4.19Å
203	N	88.5	Confident	76.5	Confident	92 Å²	92	66.2 Å²	66.2	49%	0.492	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-72	-8.7	179.7	-67.3	-33.3	0	0	0	113.6	N200 A201	N200-N203 PolarHBondContact O-N 3.35Å; N200-N203 PolarHBondContact OD1-ND2 2.96Å; A201-N203 PolarHBondContact O-N 3.09Å
204	S	90.3	Very high	78.3	Confident	17 Å²	17	63.2 Å²	63.2	12%	0.119	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-97.9	0	177	-54.1	0	0	0	0	112.6	P169 W183 N200 A201 F202	P169-S204 WeakPolarHBondContact CG-O 3.41Å; W183-S204 WeakPolarHBondContact CH2-O 3Å; N200-S204 PolarHBondContact O-N 3.15Å; N200-S204 PolarHBondContact O-OG 3.26Å; A201-S204 WeakPolarHBondContact O-CB 3.42Å; A201-S204 PolarHBondContact O-N 3.36Å; A201-S204 VanDerWaalsContact O-N 3.09Å; F202-S204 PolarHBondContact O-N 3.08Å
205	L	94.8	Very high	80.2	Confident	4 Å²	4	63 Å²	63	2%	0.021	35%	0.347	C	S	.	.	S	Bend	trans	-79.1	161.8	176.3	-59.8	180	0	0	0	112.1	F202 P207 L233 Y236 M836 I838	F202-L205 HydrophobicContact CD2-CD1 4.28Å; F202-L205 WeakPolarHBondContact O-CB 3.24Å; F202-L205 WeakPolarHBondContact O-CG 3.45Å; F202-L205 PolarHBondContact O-N 3.18Å; L205-P207 WeakPolarHBondContact O-CD 3.12Å; L205-L233 HydrophobicContact CB-CB 3.83Å; L205-L233 HydrophobicContact CB-CG 4.46Å; L205-Y236 HydrophobicContact CD1-CD2 3.46Å; L205-Y236 VanDerWaalsContact CD1-CD2 3.46Å; L205-Y236 HydrophobicContact CD1-CE2 3.6Å; L205-Y236 HydrophobicContact CD1-CG 4.35Å; L205-M836 HydrophobicContact CD2-CE 3.5Å; L205-I838 HydrophobicContact CD1-CG2 4.26Å
206	I	96.5	Very high	82.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-85.4	119.5	-175.5	-59.3	169.1	0	0	0	109.7	W136 F157 P169 A172 W183 R231 I232 L233	W136-I206 HydrophobicContact CH2-CG2 4.34Å; W136-I206 HydrophobicContact CZ2-CG2 3.34Å; F157-I206 HydrophobicContact CE2-CD1 4.48Å; F157-I206 HydrophobicContact CZ-CD1 3.79Å; F157-I206 HydrophobicContact CZ-CG2 4.41Å; P169-I206 HydrophobicContact CB-CD1 3.74Å; P169-I206 HydrophobicContact CB-CG1 4.05Å; P169-I206 HydrophobicContact CG-CD1 4.04Å; P169-I206 HydrophobicContact CG-CG1 3.8Å; A172-I206 HydrophobicContact CB-CD1 3.64Å; W183-I206 HydrophobicContact CD2-CD1 4.29Å; W183-I206 HydrophobicContact CD2-CG1 3.67Å; W183-I206 HydrophobicContact CD2-CG2 4.47Å; W183-I206 HydrophobicContact CE3-CD1 3.99Å; W183-I206 HydrophobicContact CE3-CG1 3.72Å; W183-I206 HydrophobicContact CG-CG1 4.25Å; W183-I206 HydrophobicContact CG-CG2 4.21Å; W183-I206 HydrophobicContact CH2-CG1 4.03Å; W183-I206 HydrophobicContact CZ2-CG1 3.98Å; W183-I206 HydrophobicContact CZ3-CD1 4.31Å; W183-I206 HydrophobicContact CZ3-CG1 3.91Å; I206-R231 HydrophobicContact CD1-CB 4.44Å; I206-R231 PolarHBondContact N-O 2.99Å; I206-I232 WeakPolarHBondContact O-CA 3.46Å; I206-L233 PolarHBondContact O-N 2.81Å
207	P	96.1	Very high	84.5	Confident	30 Å²	30	58.9 Å²	58.9	20%	0.195	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-80	139.3	174.2	31.7	-33.2	0	0	0	111.6	W136 L205	W136-P207 PolarHBondContact NE1-O 3.03Å; L205-P207 WeakPolarHBondContact O-CD 3.12Å
208	I	96.4	Very high	86.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-117.5	-23.8	180	-69.2	-68.7	0	0	0	113.5	W136 P150 L155 K218 I232 E234 L243	W136-I208 HydrophobicContact CZ2-CD1 3.96Å; P150-I208 HydrophobicContact CG-CD1 4.34Å; L155-I208 HydrophobicContact CD1-CD1 4.44Å; L155-I208 HydrophobicContact CD1-CG2 4.23Å; I208-K218 HydrophobicContact CG2-CD 4.07Å; I208-K218 PolarHBondContact O-NZ 2.96Å; I208-I232 HydrophobicContact CB-CG2 4.34Å; I208-I232 HydrophobicContact CG1-CD1 4.16Å; I208-I232 HydrophobicContact CG1-CG1 4.2Å; I208-I232 HydrophobicContact CG1-CG2 3.82Å; I208-E234 PolarHBondContact N-OE1 3.47Å; I208-E234 PolarHBondContact N-OE2 3.04Å; I208-L243 HydrophobicContact CG2-CD1 4.07Å; I208-L243 HydrophobicContact CG2-CD2 4.3Å
209	Y	94.1	Very high	88.7	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.016	27%	0.266	C	S	.	.	S	Bend	trans	-98.2	-31.9	173.8	-79	-83.1	0	0	0	113	S211 K212 N213 K214 I216 K218 E234 T241 G242 L243	Y209-S211 PolarHBondContact O-N 2.93Å; Y209-K212 HydrophobicContact CD1-CB 4.34Å; Y209-K212 WeakPolarHBondContact O-CB 3.39Å; Y209-K212 PolarHBondContact O-N 3.36Å; Y209-K212 VanDerWaalsContact O-N 3.1Å; Y209-N213 WeakPolarHBondContact CD1-O 3.3Å; Y209-N213 WeakPolarHBondContact CE1-O 3.32Å; Y209-K214 HydrophobicContact CD2-CG 4.22Å; Y209-K214 HydrophobicContact CG-CG 4.11Å; Y209-K214 PolarHBondContact OH-O 2.88Å; Y209-I216 HydrophobicContact CE1-CB 4.44Å; Y209-I216 PolarHBondContact OH-O 3.28Å; Y209-K218 HydrophobicContact CD1-CD 4.2Å; Y209-K218 HydrophobicContact CE1-CD 3.87Å; Y209-K218 HydrophobicContact CE1-CG 3.91Å; Y209-E234 HydrophobicContact CD2-CB 4.35Å; Y209-E234 HydrophobicContact CD2-CG 4.02Å; Y209-E234 PolarHBondContact N-OE1 3.48Å; Y209-T241 HydrophobicContact CE2-CG2 4.44Å; Y209-G242 VanDerWaalsContact OH-C 3.28Å; Y209-L243 HydrophobicContact CE2-CB 3.99Å; Y209-L243 PolarHBondContact OH-N 3.45Å
210	G	88.4	Confident	90.8	Very high	25 Å²	25	40.7 Å²	40.7	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-128.7	-167.5	0	0	0	0	0	110.2	K212	G210-K212 VanDerWaalsContact C-N 3.31Å; G210-K212 PolarHBondContact O-N 3.32Å
211	S	85.8	Confident	92.3	Very high	102 Å²	102	37.2 Å²	37.2	71%	0.713	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-0.7	178.6	-57.8	0	0	0	0	115.4	E148 Y209	E148-S211 WeakPolarHBondContact OE2-CB 3.4Å; E148-S211 PolarHBondContact OE2-N 3.46Å; E148-S211 PolarHBondContact OE2-OG 2.97Å; Y209-S211 PolarHBondContact O-N 2.93Å
212	K	84.4	Confident	92.9	Very high	87 Å²	87	36.8 Å²	36.8	38%	0.378	21%	0.207	S	C	.	.	S	Bend	trans	-73.2	160.7	-178	-69.9	-173.8	173.9	-171.3	0	113.1	L151 Y209 G210 K214	L151-K212 PolarHBondContact O-NZ 2.61Å; Y209-K212 HydrophobicContact CD1-CB 4.34Å; Y209-K212 WeakPolarHBondContact O-CB 3.39Å; Y209-K212 PolarHBondContact O-N 3.36Å; Y209-K212 VanDerWaalsContact O-N 3.1Å; G210-K212 VanDerWaalsContact C-N 3.31Å; G210-K212 PolarHBondContact O-N 3.32Å; K212-K214 PolarHBondContact O-N 3.22Å
213	N	89.6	Confident	93.2	Very high	95 Å²	95	37.9 Å²	37.9	51%	0.508	21%	0.212	S	C	.	.			trans	-62	122.6	171.3	-176.1	-2.2	0	0	0	110.5	Y209 D215 I216	Y209-N213 WeakPolarHBondContact CD1-O 3.3Å; Y209-N213 WeakPolarHBondContact CE1-O 3.32Å; N213-D215 PolarHBondContact O-N 3.08Å; N213-D215 WeakPolarHBondContact OD1-CB 3.27Å; N213-D215 PolarHBondContact OD1-N 3.14Å; N213-I216 HydrophobicContact CB-CD1 4.05Å; N213-I216 HydrophobicContact CB-CG1 4.19Å; N213-I216 WeakPolarHBondContact O-CG1 3.35Å; N213-I216 PolarHBondContact O-N 2.65Å
214	K	92.3	Very high	93.6	Very high	79 Å²	79	36.5 Å²	36.5	34%	0.343	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.7	-178.2	-66.4	168.6	-175.2	163.7	0	113.7	Y209 K212 I216 L237 T241 G242	Y209-K214 HydrophobicContact CD2-CG 4.22Å; Y209-K214 HydrophobicContact CG-CG 4.11Å; Y209-K214 PolarHBondContact OH-O 2.88Å; K212-K214 PolarHBondContact O-N 3.22Å; K214-I216 VanDerWaalsContact C-N 3.33Å; K214-L237 HydrophobicContact CD-CD1 3.98Å; K214-T241 HydrophobicContact CB-CG2 4.01Å; K214-T241 HydrophobicContact CG-CG2 4.46Å; K214-T241 CarbonylContact O-C 3.56Å; K214-T241 WeakPolarHBondContact O-CA 3.42Å; K214-T241 WeakPolarHBondContact O-CB 3.25Å; K214-G242 PolarHBondContact O-N 3.19Å
215	D	90.1	Very high	93.9	Very high	121 Å²	121	36 Å²	36	65%	0.647	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-15	176.2	-66.9	-30.6	0	0	0	113.3	N213	N213-D215 PolarHBondContact O-N 3.08Å; N213-D215 WeakPolarHBondContact OD1-CB 3.27Å; N213-D215 PolarHBondContact OD1-N 3.14Å
216	I	93.1	Very high	94	Very high	71 Å²	71	36.1 Å²	36.1	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-63.8	137.2	178.9	-64.7	171.8	0	0	0	109.1	Y209 N213 K214 K218 G242	Y209-I216 HydrophobicContact CE1-CB 4.44Å; Y209-I216 PolarHBondContact OH-O 3.28Å; N213-I216 HydrophobicContact CB-CD1 4.05Å; N213-I216 HydrophobicContact CB-CG1 4.19Å; N213-I216 WeakPolarHBondContact O-CG1 3.35Å; N213-I216 PolarHBondContact O-N 2.65Å; K214-I216 VanDerWaalsContact C-N 3.33Å; I216-K218 PolarHBondContact O-N 2.71Å; I216-G242 WeakPolarHBondContact O-CA 3.48Å
217	S	95.1	Very high	93.9	Very high	37 Å²	37	38.9 Å²	38.9	26%	0.259	21%	0.21	S	C	.	.			trans	-68	117.5	175.8	-54.7	0	0	0	0	110.4	L116	L116-S217 WeakPolarHBondContact CD1-O 3.33Å
218	K	95.7	Very high	93.9	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.5	168.5	-75.6	-161	167.7	-140.3	0	110.4	P150 E152 D153 I208 Y209 I216 G242 L243 R244	P150-K218 PolarHBondContact O-NZ 3.3Å; E152-K218 PolarHBondContact O-NZ 2.88Å; D153-K218 HydrophobicContact CB-CG 4.04Å; D153-K218 CarbonylContact O-C 3.45Å; D153-K218 VanDerWaalsContact O-CA 3.26Å; D153-K218 WeakPolarHBondContact O-CA 3.16Å; D153-K218 VanDerWaalsContact OD1-CE 3.23Å; D153-K218 WeakPolarHBondContact OD1-CE 3.01Å; I208-K218 HydrophobicContact CG2-CD 4.07Å; I208-K218 PolarHBondContact O-NZ 2.96Å; Y209-K218 HydrophobicContact CD1-CD 4.2Å; Y209-K218 HydrophobicContact CE1-CD 3.87Å; Y209-K218 HydrophobicContact CE1-CG 3.91Å; I216-K218 PolarHBondContact O-N 2.71Å; K218-G242 PolarHBondContact N-O 3.26Å; K218-L243 HydrophobicContact CB-CD1 3.71Å; K218-L243 CarbonylContact O-C 3.6Å; K218-L243 WeakPolarHBondContact O-CA 3.4Å; K218-R244 PolarHBondContact O-N 2.97Å
219	C	96.6	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.8	-179.2	-169.8	0	0	0	0	110.6	Y113 L116 D153 A154 L155 R244	Y113-C219 HydrophobicContact CD1-CB 4.35Å; L116-C219 HydrophobicContact CB-CB 4.01Å; L116-C219 HydrophobicContact CD1-CB 3.88Å; D153-C219 PolarHBondContact O-N 3.22Å; A154-C219 WeakPolarHBondContact CA-O 3.28Å; L155-C219 PolarHBondContact N-O 3.05Å; C219-R244 WeakPolarHBondContact CA-O 3.35Å
220	V	97.5	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.8	173.2	171.2	0	0	0	0	108.9	L155 F157 V225 L243 R244 F245 V246	L155-V220 HydrophobicContact CB-CG2 4.27Å; L155-V220 HydrophobicContact CD1-CG2 4.04Å; L155-V220 CarbonylContact O-C 3.48Å; L155-V220 WeakPolarHBondContact O-CA 3.41Å; F157-V220 HydrophobicContact CB-CG1 3.64Å; F157-V220 HydrophobicContact CD1-CG1 4.09Å; F157-V220 HydrophobicContact CG-CG1 4.16Å; V220-V225 HydrophobicContact CG1-CG2 4.05Å; V220-L243 HydrophobicContact CG2-CD1 3.79Å; V220-R244 PolarHBondContact N-O 2.86Å; V220-F245 HydrophobicContact CB-CD1 3.65Å; V220-F245 HydrophobicContact CB-CE1 3.78Å; V220-F245 HydrophobicContact CG1-CD1 3.84Å; V220-F245 HydrophobicContact CG1-CE1 4Å; V220-F245 HydrophobicContact CG2-CE1 4.24Å; V220-F245 CarbonylContact O-C 3.58Å; V220-F245 VanDerWaalsContact O-CA 3.25Å; V220-F245 WeakPolarHBondContact O-CA 3.5Å; V220-V246 PolarHBondContact O-N 2.76Å
221	I	97.9	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.3	178.7	-59.4	132.8	0	0	0	107.9	L117 F120 L155 I156 F157 V246 T248 T364 I368	L117-I221 HydrophobicContact CD2-CD1 3.56Å; L117-I221 HydrophobicContact CD2-CG1 3.69Å; F120-I221 HydrophobicContact CD2-CD1 4.33Å; F120-I221 HydrophobicContact CE2-CD1 3.42Å; F120-I221 VanDerWaalsContact CE2-CD1 3.42Å; F120-I221 HydrophobicContact CZ-CD1 3.92Å; L155-I221 PolarHBondContact O-N 3.48Å; I156-I221 CarbonylContact C-O 3.58Å; I156-I221 WeakPolarHBondContact CA-O 3.28Å; I156-I221 HydrophobicContact CD1-CB 3.67Å; I156-I221 HydrophobicContact CD1-CD1 3.59Å; I156-I221 HydrophobicContact CD1-CG1 4.23Å; I156-I221 HydrophobicContact CD1-CG2 3.9Å; F157-I221 PolarHBondContact N-O 3.08Å; I221-V246 WeakPolarHBondContact CA-O 3.22Å; I221-V246 HydrophobicContact CG1-CB 3.92Å; I221-V246 HydrophobicContact CG1-CG1 4.5Å; I221-T248 HydrophobicContact CG2-CG2 4.16Å; I221-T364 HydrophobicContact CG2-CG2 4.38Å; I221-I368 HydrophobicContact CG2-CB 4.3Å; I221-I368 HydrophobicContact CG2-CG1 4.16Å; I221-I368 HydrophobicContact CG2-CG2 4.4Å
222	G	97.4	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	176.9	-178.7	0	0	0	0	0	111.7	V246 T248	G222-V246 PolarHBondContact N-O 3.39Å; G222-V246 VanDerWaalsContact N-O 3.13Å; G222-T248 PolarHBondContact O-N 3.39Å; G222-T248 PolarHBondContact O-OG1 2.88Å; G222-T248 VanDerWaalsContact O-OG1 3.11Å
223	H	97.3	Very high	95.4	Very high	30 Å²	30	29.3 Å²	29.3	14%	0.139	15%	0.148	C	C	.	.	S	Bend	trans	-107	118.2	170.7	-174.2	73.7	0	0	0	109.7	V225 T248 N314 L316	H223-V225 PolarHBondContact O-N 3.11Å; H223-T248 WeakPolarHBondContact CA-OG1 3.38Å; H223-T248 WeakPolarHBondContact CB-OG1 3.28Å; H223-T248 PolarHBondContact ND1-OG1 3.18Å; H223-T248 VanDerWaalsContact ND1-OG1 3.07Å; H223-N314 PolarHBondContact NE2-O 3.32Å; H223-L316 HydrophobicContact CB-CD1 3.99Å; H223-L316 PolarHBondContact NE2-N 3.36Å
224	F	96.6	Very high	95.7	Very high	64 Å²	64	25 Å²	25	28%	0.281	12%	0.124	S	C	.	.	S	Bend	trans	55.9	42	-165	-174.3	-143	0	0	0	112	S226 Y227 D247 L249 Q867 I869	F224-S226 WeakPolarHBondContact CE2-OG 3.29Å; F224-S226 PolarHBondContact O-N 2.66Å; F224-Y227 HydrophobicContact CE1-CD2 4.21Å; F224-Y227 HydrophobicContact CE1-CG 4.26Å; F224-Y227 WeakPolarHBondContact O-CB 3.47Å; F224-Y227 PolarHBondContact O-N 2.99Å; F224-D247 WeakPolarHBondContact CA-OD1 3.49Å; F224-D247 PolarHBondContact N-OD1 3.02Å; F224-L249 HydrophobicContact CB-CD2 4.15Å; F224-Q867 HydrophobicContact CE2-CB 4.48Å; F224-Q867 HydrophobicContact CZ-CB 4.28Å; F224-I869 HydrophobicContact CD2-CD1 4.14Å; F224-I869 HydrophobicContact CD2-CG1 3.75Å; F224-I869 HydrophobicContact CE2-CD1 4.12Å; F224-I869 HydrophobicContact CE2-CG1 3.72Å
225	V	96.5	Very high	95.8	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-52.5	-22.2	-171.4	77.5	0	0	0	0	115	V220 H223 Y227 D228 R229 F245 D247	V220-V225 HydrophobicContact CG1-CG2 4.05Å; H223-V225 PolarHBondContact O-N 3.11Å; V225-Y227 PolarHBondContact O-N 3.13Å; V225-D228 VanDerWaalsContact CA-OD2 3.32Å; V225-D228 WeakPolarHBondContact CA-OD2 3.28Å; V225-D228 PolarHBondContact O-N 3.26Å; V225-R229 VanDerWaalsContact O-CB 3.24Å; V225-R229 WeakPolarHBondContact O-CB 3.5Å; V225-R229 PolarHBondContact O-N 3.38Å; V225-F245 HydrophobicContact CG1-CB 3.71Å; V225-F245 HydrophobicContact CG2-CB 4.18Å; V225-F245 HydrophobicContact CG2-CD1 3.75Å; V225-F245 HydrophobicContact CG2-CG 4.4Å; V225-D247 HydrophobicContact CB-CB 4.44Å; V225-D247 HydrophobicContact CG1-CB 3.66Å
226	S	95.9	Very high	96.1	Very high	8 Å²	8	15.6 Å²	15.6	6%	0.056	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-26.9	177.2	72.5	0	0	0	0	113.1	F224 A230 Q867 V868	F224-S226 WeakPolarHBondContact CE2-OG 3.29Å; F224-S226 PolarHBondContact O-N 2.66Å; S226-A230 PolarHBondContact O-N 3.13Å; S226-Q867 WeakPolarHBondContact OG-CA 3.45Å; S226-Q867 PolarHBondContact OG-O 3.34Å; S226-V868 WeakPolarHBondContact CB-O 3.35Å; S226-V868 PolarHBondContact OG-N 3.02Å
227	Y	95.2	Very high	96.1	Very high	58 Å²	58	12.8 Å²	12.8	23%	0.227	6%	0.063	C	C	.	.	H	α-helix	trans	-68.1	-45.9	171.4	-176.7	-93.7	0	0	0	110.3	V161 F224 V225 A230 R231	V161-Y227 HydrophobicContact CG2-CE1 4.37Å; F224-Y227 HydrophobicContact CE1-CD2 4.21Å; F224-Y227 HydrophobicContact CE1-CG 4.26Å; F224-Y227 WeakPolarHBondContact O-CB 3.47Å; F224-Y227 PolarHBondContact O-N 2.99Å; V225-Y227 PolarHBondContact O-N 3.13Å; Y227-A230 WeakPolarHBondContact O-CB 3.22Å; Y227-A230 PolarHBondContact O-N 3.5Å; Y227-R231 VanDerWaalsContact CD2-NH1 3.27Å; Y227-R231 VanDerWaalsContact O-CD 3.26Å; Y227-R231 WeakPolarHBondContact O-CD 3.33Å; Y227-R231 PolarHBondContact O-NH1 3.22Å
228	D	96.4	Very high	96	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-68.9	-40	-179.9	-44.8	-47	0	0	0	111.1	F157 T159 V225 A230 R231	F157-D228 HydrophobicContact CD1-CB 3.91Å; F157-D228 HydrophobicContact CE1-CB 3.79Å; T159-D228 HydrophobicContact CG2-CB 3.83Å; V225-D228 VanDerWaalsContact CA-OD2 3.32Å; V225-D228 WeakPolarHBondContact CA-OD2 3.28Å; V225-D228 PolarHBondContact O-N 3.26Å; D228-A230 PolarHBondContact O-N 2.75Å; D228-R231 WeakPolarHBondContact O-CA 3.38Å; D228-R231 WeakPolarHBondContact O-CB 3.4Å; D228-R231 PolarHBondContact O-N 3.19Å
229	R	96.8	Very high	95.7	Very high	3 Å²	3	16 Å²	16	1%	0.011	8%	0.078	C	C	.	.	H	α-helix	trans	-51.9	-40.6	173.8	175.4	-177.1	175.3	-105.7	-5	112.1	V225 R231 I232 E235 F245 S392 S393 M394	V225-R229 VanDerWaalsContact O-CB 3.24Å; V225-R229 WeakPolarHBondContact O-CB 3.5Å; V225-R229 PolarHBondContact O-N 3.38Å; R229-R231 PolarHBondContact O-N 2.96Å; R229-I232 PolarHBondContact O-N 3.45Å; R229-E235 HydrophobicContact CG-CG 4.03Å; R229-E235 IonicContact CZ-OE2 2.74Å; R229-E235 IonicContact NE-OE2 3.17Å; R229-E235 PolarHBondContact NE-OE2 3.38Å; R229-E235 IonicContact NH2-OE2 2.69Å; R229-E235 PolarHBondContact NH2-OE2 3.14Å; R229-F245 HydrophobicContact CB-CD1 4.27Å; R229-F245 HydrophobicContact CB-CE1 3.99Å; R229-F245 HydrophobicContact CB-CE2 4.39Å; R229-F245 HydrophobicContact CB-CZ 4.05Å; R229-F245 HydrophobicContact CG-CD2 4.17Å; R229-F245 HydrophobicContact CG-CE1 4.08Å; R229-F245 HydrophobicContact CG-CE2 3.67Å; R229-F245 HydrophobicContact CG-CZ 3.61Å; R229-S392 WeakPolarHBondContact CD-O 3.45Å; R229-S392 PolarHBondContact NE-O 3.1Å; R229-S392 VanDerWaalsContact NE-O 3.11Å; R229-S393 VanDerWaalsContact NH2-C 3.3Å; R229-S393 PolarHBondContact NH2-O 3.03Å; R229-M394 VanDerWaalsContact CZ-O 3.29Å; R229-M394 PolarHBondContact NH1-O 3.41Å; R229-M394 PolarHBondContact NH2-O 3.46Å
230	A	95.8	Very high	95.2	Very high	1 Å²	1	18 Å²	18	1%	0.008	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.7	179.1	0	0	0	0	0	113.1	S226 Y227 D228 Y236 M836	S226-A230 PolarHBondContact O-N 3.13Å; Y227-A230 WeakPolarHBondContact O-CB 3.22Å; Y227-A230 PolarHBondContact O-N 3.5Å; D228-A230 PolarHBondContact O-N 2.75Å; A230-Y236 WeakPolarHBondContact O-CE2 3.39Å; A230-Y236 PolarHBondContact O-OH 2.98Å; A230-M836 HydrophobicContact CB-SD 4.49Å; A230-M836 WeakPolarHBondContact O-CE 3.45Å
231	R	96.2	Very high	94.9	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.015	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2	178.7	-75.2	79.4	-164.9	-174.5	-9.4	112.9	T159 V161 H167 P169 I206 Y227 D228 R229	T159-R231 HydrophobicContact CG2-CB 4.17Å; T159-R231 HydrophobicContact CG2-CG 4.4Å; V161-R231 HydrophobicContact CG2-CG 4.34Å; H167-R231 PolarHBondContact O-NE 3.29Å; H167-R231 VanDerWaalsContact O-NE 3.13Å; H167-R231 PolarHBondContact O-NH2 2.98Å; P169-R231 HydrophobicContact CB-CB 3.95Å; P169-R231 HydrophobicContact CB-CG 3.88Å; P169-R231 HydrophobicContact CG-CB 3.91Å; P169-R231 HydrophobicContact CG-CG 4.02Å; I206-R231 HydrophobicContact CD1-CB 4.44Å; I206-R231 PolarHBondContact N-O 2.99Å; Y227-R231 VanDerWaalsContact CD2-NH1 3.27Å; Y227-R231 VanDerWaalsContact O-CD 3.26Å; Y227-R231 WeakPolarHBondContact O-CD 3.33Å; Y227-R231 PolarHBondContact O-NH1 3.22Å; D228-R231 WeakPolarHBondContact O-CA 3.38Å; D228-R231 WeakPolarHBondContact O-CB 3.4Å; D228-R231 PolarHBondContact O-N 3.19Å; R229-R231 PolarHBondContact O-N 2.96Å
232	I	96.6	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-90.8	131.4	178.2	-64.9	172.8	0	0	0	110	F157 I206 I208 R229 E235 Y236 L243 F245	F157-I232 HydrophobicContact CE1-CD1 4.37Å; F157-I232 HydrophobicContact CE1-CG1 4.48Å; I206-I232 WeakPolarHBondContact O-CA 3.46Å; I208-I232 HydrophobicContact CB-CG2 4.34Å; I208-I232 HydrophobicContact CG1-CD1 4.16Å; I208-I232 HydrophobicContact CG1-CG1 4.2Å; I208-I232 HydrophobicContact CG1-CG2 3.82Å; R229-I232 PolarHBondContact O-N 3.45Å; I232-E235 HydrophobicContact CB-CG 4.36Å; I232-E235 HydrophobicContact CG2-CG 4.18Å; I232-Y236 WeakPolarHBondContact O-CD2 3.32Å; I232-L243 HydrophobicContact CG2-CD2 4.1Å; I232-F245 HydrophobicContact CD1-CE1 3.49Å; I232-F245 VanDerWaalsContact CD1-CE1 3.49Å; I232-F245 HydrophobicContact CD1-CZ 3.8Å
233	L	95.3	Very high	94.7	Very high	35 Å²	35	18.5 Å²	18.5	18%	0.183	10%	0.102	C	C	.	.	S	Bend	trans	-64.8	-50.3	-173.7	-176.2	151.6	0	0	0	112.4	F202 L205 I206 E235 Y236	F202-L233 HydrophobicContact CE1-CD1 4.14Å; F202-L233 HydrophobicContact CE1-CD2 4.25Å; F202-L233 HydrophobicContact CE1-CG 4.13Å; F202-L233 HydrophobicContact CE2-CD2 4.33Å; F202-L233 HydrophobicContact CE2-CG 4.09Å; F202-L233 HydrophobicContact CZ-CD1 4.28Å; F202-L233 HydrophobicContact CZ-CD2 3.69Å; F202-L233 HydrophobicContact CZ-CG 3.75Å; L205-L233 HydrophobicContact CB-CB 3.83Å; L205-L233 HydrophobicContact CB-CG 4.46Å; I206-L233 PolarHBondContact O-N 2.81Å; L233-E235 PolarHBondContact O-N 3.22Å; L233-E235 VanDerWaalsContact O-N 3.17Å; L233-Y236 PolarHBondContact O-N 3.08Å
234	E	95	Very high	94.6	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.019	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-68.2	-18.6	-170.5	-64.9	89.3	161.3	0	0	113.6	I208 Y209 Y236 L237 T241	I208-E234 PolarHBondContact N-OE1 3.47Å; I208-E234 PolarHBondContact N-OE2 3.04Å; Y209-E234 HydrophobicContact CD2-CB 4.35Å; Y209-E234 HydrophobicContact CD2-CG 4.02Å; Y209-E234 PolarHBondContact N-OE1 3.48Å; E234-Y236 VanDerWaalsContact C-N 3.25Å; E234-Y236 PolarHBondContact O-N 2.87Å; E234-L237 HydrophobicContact CB-CD1 4.38Å; E234-L237 WeakPolarHBondContact O-CB 3.33Å; E234-L237 PolarHBondContact O-N 3.03Å; E234-T241 HydrophobicContact CB-CG2 4.18Å
235	E	95.5	Very high	94.7	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-71.3	-21.8	178.6	-73.1	-64.9	107.8	0	0	113.2	R229 I232 L233 L243 F245 L865 R1113	R229-E235 HydrophobicContact CG-CG 4.03Å; R229-E235 IonicContact CZ-OE2 2.74Å; R229-E235 IonicContact NE-OE2 3.17Å; R229-E235 PolarHBondContact NE-OE2 3.38Å; R229-E235 IonicContact NH2-OE2 2.69Å; R229-E235 PolarHBondContact NH2-OE2 3.14Å; I232-E235 HydrophobicContact CB-CG 4.36Å; I232-E235 HydrophobicContact CG2-CG 4.18Å; L233-E235 PolarHBondContact O-N 3.22Å; L233-E235 VanDerWaalsContact O-N 3.17Å; E235-L243 HydrophobicContact CG-CD2 4.27Å; E235-F245 HydrophobicContact CG-CE2 3.97Å; E235-F245 HydrophobicContact CG-CZ 3.83Å; E235-L865 HydrophobicContact CB-CD1 3.5Å; E235-R1113 PolarHBondContact O-NH2 3.38Å
236	Y	95.7	Very high	94.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-83.5	-11.4	176.4	-74.3	-84.1	0	0	0	113.9	L205 A230 I232 L233 E234 Y395 I838 A863 L865	L205-Y236 HydrophobicContact CD1-CD2 3.46Å; L205-Y236 VanDerWaalsContact CD1-CD2 3.46Å; L205-Y236 HydrophobicContact CD1-CE2 3.6Å; L205-Y236 HydrophobicContact CD1-CG 4.35Å; A230-Y236 WeakPolarHBondContact O-CE2 3.39Å; A230-Y236 PolarHBondContact O-OH 2.98Å; I232-Y236 WeakPolarHBondContact O-CD2 3.32Å; L233-Y236 PolarHBondContact O-N 3.08Å; E234-Y236 VanDerWaalsContact C-N 3.25Å; E234-Y236 PolarHBondContact O-N 2.87Å; Y236-Y395 WeakPolarHBondContact O-CE2 3.41Å; Y236-I838 HydrophobicContact CD1-CB 3.65Å; Y236-I838 HydrophobicContact CD1-CG1 4.09Å; Y236-I838 HydrophobicContact CD1-CG2 4.2Å; Y236-I838 HydrophobicContact CE1-CB 3.47Å; Y236-I838 VanDerWaalsContact CE1-CB 3.47Å; Y236-I838 HydrophobicContact CE1-CG1 3.44Å; Y236-I838 VanDerWaalsContact CE1-CG1 3.44Å; Y236-I838 HydrophobicContact CE1-CG2 4.41Å; Y236-I838 HydrophobicContact CE2-CG1 4.01Å; Y236-I838 HydrophobicContact CG-CB 4.27Å; Y236-I838 HydrophobicContact CG-CG2 4.38Å; Y236-A863 HydrophobicContact CD1-CB 4.12Å; Y236-A863 WeakPolarHBondContact CE1-O 3.49Å; Y236-L865 HydrophobicContact CD1-CD1 4.25Å; Y236-L865 HydrophobicContact CD1-CD2 4.47Å; Y236-L865 HydrophobicContact CD1-CG 4.04Å; Y236-L865 HydrophobicContact CD2-CD1 3.76Å; Y236-L865 HydrophobicContact CD2-CG 4.43Å; Y236-L865 HydrophobicContact CE1-CD1 4Å; Y236-L865 HydrophobicContact CE1-CD2 4.48Å; Y236-L865 HydrophobicContact CE1-CG 3.65Å; Y236-L865 HydrophobicContact CE2-CD1 3.47Å; Y236-L865 VanDerWaalsContact CE2-CD1 3.47Å; Y236-L865 HydrophobicContact CE2-CG 4.08Å; Y236-L865 HydrophobicContact CG-CD1 4.14Å; Y236-L865 HydrophobicContact CG-CG 4.41Å
237	L	94.1	Very high	94.8	Very high	12 Å²	12	14.8 Å²	14.8	6%	0.063	8%	0.084	C	C	.	.	S	Bend	trans	-65.4	144	173.7	-60.1	178.3	0	0	0	109.3	F202 K214 E234 R1113	F202-L237 HydrophobicContact CZ-CD2 4.23Å; K214-L237 HydrophobicContact CD-CD1 3.98Å; E234-L237 HydrophobicContact CB-CD1 4.38Å; E234-L237 WeakPolarHBondContact O-CB 3.33Å; E234-L237 PolarHBondContact O-N 3.03Å; L237-R1113 PolarHBondContact O-NH1 3.09Å
238	L	93	Very high	95	Very high	10 Å²	10	12 Å²	12	5%	0.052	7%	0.074	C	C	.	.	S	Bend	trans	-67.8	-45.1	-179.9	-175.5	63.2	0	0	0	111.3	G240 Y395 P846 V849 P905 Y908 R1113 I1125	L238-G240 PolarHBondContact O-N 3.2Å; L238-Y395 HydrophobicContact CD1-CD1 4.38Å; L238-Y395 HydrophobicContact CD1-CE1 3.49Å; L238-Y395 VanDerWaalsContact CD1-CE1 3.49Å; L238-P846 HydrophobicContact CB-CG 3.9Å; L238-P846 HydrophobicContact CD2-CG 3.91Å; L238-P846 HydrophobicContact CG-CG 4.43Å; L238-V849 HydrophobicContact CD2-CG2 4.41Å; L238-P905 HydrophobicContact CD2-CG 3.79Å; L238-Y908 HydrophobicContact CD2-CD1 3.95Å; L238-Y908 HydrophobicContact CD2-CD2 3.95Å; L238-Y908 HydrophobicContact CD2-CE1 3.65Å; L238-Y908 HydrophobicContact CD2-CE2 3.65Å; L238-Y908 HydrophobicContact CD2-CG 4.11Å; L238-Y908 HydrophobicContact CG-CE1 4.38Å; L238-R1113 WeakPolarHBondContact O-CD 3.42Å; L238-R1113 PolarHBondContact O-NH1 3.05Å; L238-I1125 HydrophobicContact CD1-CD1 3.94Å
239	D	88	Confident	95	Very high	96 Å²	96	12.2 Å²	12.2	51%	0.513	8%	0.075	S	C	.	.	S	Bend	trans	-67.7	118.2	174.9	-62.3	-33.6	0	0	0	108.8
240	G	85.5	Confident	95.1	Very high	41 Å²	41	12.1 Å²	12.1	42%	0.423	8%	0.075	S	C	.	.			trans	-65.3	151.7	-177.9	0	0	0	0	0	112.2	L238	L238-G240 PolarHBondContact O-N 3.2Å
241	T	92.8	Very high	95.2	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.043	8%	0.075	C	C	.	.			trans	-106	174.4	178.4	74.4	0	0	0	0	112	Y209 K214 E234 L243 R244	Y209-T241 HydrophobicContact CE2-CG2 4.44Å; K214-T241 HydrophobicContact CB-CG2 4.01Å; K214-T241 HydrophobicContact CG-CG2 4.46Å; K214-T241 CarbonylContact O-C 3.56Å; K214-T241 WeakPolarHBondContact O-CA 3.42Å; K214-T241 WeakPolarHBondContact O-CB 3.25Å; E234-T241 HydrophobicContact CB-CG2 4.18Å; T241-L243 PolarHBondContact O-N 3.03Å; T241-L243 VanDerWaalsContact OG1-CB 3.23Å; T241-L243 WeakPolarHBondContact OG1-CB 3.46Å; T241-L243 PolarHBondContact OG1-N 3.41Å; T241-L243 VanDerWaalsContact OG1-N 3.13Å; T241-R244 PolarHBondContact O-NH1 2.99Å
242	G	93.6	Very high	95.3	Very high	5 Å²	5	12.1 Å²	12.1	5%	0.052	8%	0.075	C	C	.	.	S	Bend	trans	-75.6	-0	168.9	0	0	0	0	0	114.1	Y113 Y209 K214 I216 K218	Y113-G242 WeakPolarHBondContact CE1-O 3.49Å; Y113-G242 PolarHBondContact OH-O 2.7Å; Y209-G242 VanDerWaalsContact OH-C 3.28Å; K214-G242 PolarHBondContact O-N 3.19Å; I216-G242 WeakPolarHBondContact O-CA 3.48Å; K218-G242 PolarHBondContact N-O 3.26Å
243	L	96.1	Very high	95.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.7	179.2	-172.2	60.8	0	0	0	110.8	I208 Y209 K218 V220 I232 E235 T241 F245	I208-L243 HydrophobicContact CG2-CD1 4.07Å; I208-L243 HydrophobicContact CG2-CD2 4.3Å; Y209-L243 HydrophobicContact CE2-CB 3.99Å; Y209-L243 PolarHBondContact OH-N 3.45Å; K218-L243 HydrophobicContact CB-CD1 3.71Å; K218-L243 CarbonylContact O-C 3.6Å; K218-L243 WeakPolarHBondContact O-CA 3.4Å; V220-L243 HydrophobicContact CG2-CD1 3.79Å; I232-L243 HydrophobicContact CG2-CD2 4.1Å; E235-L243 HydrophobicContact CG-CD2 4.27Å; T241-L243 PolarHBondContact O-N 3.03Å; T241-L243 VanDerWaalsContact OG1-CB 3.23Å; T241-L243 WeakPolarHBondContact OG1-CB 3.46Å; T241-L243 PolarHBondContact OG1-N 3.41Å; T241-L243 VanDerWaalsContact OG1-N 3.13Å; L243-F245 HydrophobicContact CD2-CE1 4.23Å; L243-F245 HydrophobicContact CD2-CE2 4.14Å; L243-F245 HydrophobicContact CD2-CZ 3.5Å; L243-F245 VanDerWaalsContact CD2-CZ 3.5Å; L243-F245 HydrophobicContact CG-CE1 4.38Å; L243-F245 HydrophobicContact CG-CE2 4.03Å; L243-F245 HydrophobicContact CG-CZ 3.74Å
244	R	96.8	Very high	95.4	Very high	9 Å²	9	10.8 Å²	10.8	3%	0.034	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.2	172.5	-65.1	-66	-177.6	-86.4	3.4	111	Y113 K218 C219 V220 T241 L389 E390	Y113-R244 HydrophobicContact CD1-CB 3.89Å; Y113-R244 HydrophobicContact CD1-CG 4.06Å; Y113-R244 HydrophobicContact CE1-CB 3.6Å; Y113-R244 HydrophobicContact CE1-CG 3.41Å; Y113-R244 VanDerWaalsContact CE1-CG 3.41Å; Y113-R244 HydrophobicContact CE2-CG 3.97Å; Y113-R244 WeakPolarHBondContact OH-CG 3.35Å; K218-R244 PolarHBondContact O-N 2.97Å; C219-R244 WeakPolarHBondContact CA-O 3.35Å; V220-R244 PolarHBondContact N-O 2.86Å; T241-R244 PolarHBondContact O-NH1 2.99Å; R244-L389 HydrophobicContact CB-CB 4.34Å; R244-L389 HydrophobicContact CB-CD2 3.81Å; R244-L389 WeakPolarHBondContact CD-O 3.34Å; R244-L389 HydrophobicContact CG-CB 4.2Å; R244-E390 IonicContact CZ-OE1 2.71Å; R244-E390 IonicContact NE-OE1 3.24Å; R244-E390 PolarHBondContact NE-OE1 3.14Å; R244-E390 VanDerWaalsContact NE-OE1 3.15Å; R244-E390 IonicContact NH2-OE1 2.77Å; R244-E390 PolarHBondContact NH2-OE1 3.13Å; R244-E390 IonicContact NH2-OE2 2.69Å
245	F	97.7	Very high	95.5	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.026	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.5	-174.7	-56.2	-89.8	0	0	0	111.9	V220 V225 R229 I232 E235 L243 S392	V220-F245 HydrophobicContact CB-CD1 3.65Å; V220-F245 HydrophobicContact CB-CE1 3.78Å; V220-F245 HydrophobicContact CG1-CD1 3.84Å; V220-F245 HydrophobicContact CG1-CE1 4Å; V220-F245 HydrophobicContact CG2-CE1 4.24Å; V220-F245 CarbonylContact O-C 3.58Å; V220-F245 VanDerWaalsContact O-CA 3.25Å; V220-F245 WeakPolarHBondContact O-CA 3.5Å; V225-F245 HydrophobicContact CG1-CB 3.71Å; V225-F245 HydrophobicContact CG2-CB 4.18Å; V225-F245 HydrophobicContact CG2-CD1 3.75Å; V225-F245 HydrophobicContact CG2-CG 4.4Å; R229-F245 HydrophobicContact CB-CD1 4.27Å; R229-F245 HydrophobicContact CB-CE1 3.99Å; R229-F245 HydrophobicContact CB-CE2 4.39Å; R229-F245 HydrophobicContact CB-CZ 4.05Å; R229-F245 HydrophobicContact CG-CD2 4.17Å; R229-F245 HydrophobicContact CG-CE1 4.08Å; R229-F245 HydrophobicContact CG-CE2 3.67Å; R229-F245 HydrophobicContact CG-CZ 3.61Å; I232-F245 HydrophobicContact CD1-CE1 3.49Å; I232-F245 VanDerWaalsContact CD1-CE1 3.49Å; I232-F245 HydrophobicContact CD1-CZ 3.8Å; E235-F245 HydrophobicContact CG-CE2 3.97Å; E235-F245 HydrophobicContact CG-CZ 3.83Å; L243-F245 HydrophobicContact CD2-CE1 4.23Å; L243-F245 HydrophobicContact CD2-CE2 4.14Å; L243-F245 HydrophobicContact CD2-CZ 3.5Å; L243-F245 VanDerWaalsContact CD2-CZ 3.5Å; L243-F245 HydrophobicContact CG-CE1 4.38Å; L243-F245 HydrophobicContact CG-CE2 4.03Å; L243-F245 HydrophobicContact CG-CZ 3.74Å; F245-S392 PolarHBondContact N-OG 3.33Å
246	V	97.7	Very high	95.5	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.024	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.5	175.3	179	0	0	0	0	108.2	L117 V220 I221 G222 L251 I368 F385 L389	L117-V246 HydrophobicContact CD1-CG2 4.15Å; L117-V246 HydrophobicContact CD2-CB 4.39Å; L117-V246 HydrophobicContact CD2-CG1 4.19Å; L117-V246 HydrophobicContact CD2-CG2 4.22Å; L117-V246 HydrophobicContact CG-CG2 4.49Å; V220-V246 PolarHBondContact O-N 2.76Å; I221-V246 WeakPolarHBondContact CA-O 3.22Å; I221-V246 HydrophobicContact CG1-CB 3.92Å; I221-V246 HydrophobicContact CG1-CG1 4.5Å; G222-V246 PolarHBondContact N-O 3.39Å; G222-V246 VanDerWaalsContact N-O 3.13Å; V246-L251 HydrophobicContact CG1-CD1 3.87Å; V246-I368 HydrophobicContact CG1-CD1 4.34Å; V246-F385 HydrophobicContact CG2-CE2 4.03Å; V246-F385 HydrophobicContact CG2-CZ 4.09Å; V246-L389 HydrophobicContact CG2-CD2 3.93Å
247	D	98	Very high	95.5	Very high	9 Å²	9	10.5 Å²	10.5	5%	0.048	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.3	-176	178.6	20.9	0	0	0	111.1	F224 V225 L249 S250 L251	F224-D247 WeakPolarHBondContact CA-OD1 3.49Å; F224-D247 PolarHBondContact N-OD1 3.02Å; V225-D247 HydrophobicContact CB-CB 4.44Å; V225-D247 HydrophobicContact CG1-CB 3.66Å; D247-L249 PolarHBondContact O-N 3.31Å; D247-L249 VanDerWaalsContact OD1-CB 3.32Å; D247-L249 WeakPolarHBondContact OD1-CB 3.22Å; D247-L249 PolarHBondContact OD1-N 2.93Å; D247-S250 PolarHBondContact O-N 3.01Å; D247-S250 VanDerWaalsContact O-N 3.15Å; D247-S250 WeakPolarHBondContact OD2-CB 3.33Å; D247-S250 PolarHBondContact OD2-N 3.15Å; D247-S250 PolarHBondContact OD2-OG 3Å; D247-L251 WeakPolarHBondContact O-CG 3.37Å; D247-L251 PolarHBondContact O-N 3.25Å
248	T	98	Very high	95.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60	-30.4	176.1	58.2	0	0	0	0	112.3	I221 G222 H223 H252 T364 I367 I368	I221-T248 HydrophobicContact CG2-CG2 4.16Å; G222-T248 PolarHBondContact O-N 3.39Å; G222-T248 PolarHBondContact O-OG1 2.88Å; G222-T248 VanDerWaalsContact O-OG1 3.11Å; H223-T248 WeakPolarHBondContact CA-OG1 3.38Å; H223-T248 WeakPolarHBondContact CB-OG1 3.28Å; H223-T248 PolarHBondContact ND1-OG1 3.18Å; H223-T248 VanDerWaalsContact ND1-OG1 3.07Å; T248-H252 WeakPolarHBondContact O-CB 3.39Å; T248-H252 PolarHBondContact O-N 2.86Å; T248-T364 HydrophobicContact CG2-CG2 3.81Å; T248-I367 HydrophobicContact CG2-CG2 4.34Å; T248-I368 HydrophobicContact CG2-CB 4.24Å; T248-I368 HydrophobicContact CG2-CD1 4.26Å
249	L	97.8	Very high	95.5	Very high	9 Å²	9	11 Å²	11	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-66.4	-48.9	174.7	175.6	56.4	0	0	0	111.1	F224 D247 L251 H252 V253 N314 I319 I869	F224-L249 HydrophobicContact CB-CD2 4.15Å; D247-L249 PolarHBondContact O-N 3.31Å; D247-L249 VanDerWaalsContact OD1-CB 3.32Å; D247-L249 WeakPolarHBondContact OD1-CB 3.22Å; D247-L249 PolarHBondContact OD1-N 2.93Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.44Å; L249-H252 PolarHBondContact O-N 3.31Å; L249-V253 HydrophobicContact CD1-CG2 4Å; L249-V253 WeakPolarHBondContact O-CG2 3.15Å; L249-V253 PolarHBondContact O-N 2.93Å; L249-N314 HydrophobicContact CD1-CB 3.67Å; L249-I319 HydrophobicContact CD1-CD1 4.09Å; L249-I869 HydrophobicContact CD2-CD1 3.88Å; L249-I869 HydrophobicContact CD2-CG1 4.48Å; L249-I869 HydrophobicContact CG-CG2 4.48Å
250	S	97.5	Very high	95.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-44.3	176.8	-68.3	0	0	0	0	112	D247 V253 A254 I869 T870 C871	D247-S250 PolarHBondContact O-N 3.01Å; D247-S250 VanDerWaalsContact O-N 3.15Å; D247-S250 WeakPolarHBondContact OD2-CB 3.33Å; D247-S250 PolarHBondContact OD2-N 3.15Å; D247-S250 PolarHBondContact OD2-OG 3Å; S250-V253 PolarHBondContact O-N 3.21Å; S250-A254 PolarHBondContact O-N 2.77Å; S250-I869 WeakPolarHBondContact OG-CG2 3.43Å; S250-T870 PolarHBondContact OG-N 2.85Å; S250-T870 PolarHBondContact OG-OG1 3.21Å; S250-C871 WeakPolarHBondContact CA-O 3.47Å; S250-C871 WeakPolarHBondContact O-CB 3.29Å; S250-C871 PolarHBondContact OG-N 3.39Å
251	L	97.9	Very high	95.5	Very high	4 Å²	4	13 Å²	13	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-42.3	175.5	-60.3	-177.1	0	0	0	111.5	V246 D247 L249 A254 V255 I368 L371 W372 F375 L388	V246-L251 HydrophobicContact CG1-CD1 3.87Å; D247-L251 WeakPolarHBondContact O-CG 3.37Å; D247-L251 PolarHBondContact O-N 3.25Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.44Å; L251-A254 WeakPolarHBondContact O-CB 3.45Å; L251-A254 PolarHBondContact O-N 3.47Å; L251-V255 WeakPolarHBondContact O-CG2 3.4Å; L251-V255 PolarHBondContact O-N 3.03Å; L251-I368 HydrophobicContact CD1-CD1 3.55Å; L251-L371 HydrophobicContact CB-CD2 3.69Å; L251-L371 HydrophobicContact CB-CG 4.01Å; L251-W372 HydrophobicContact CD1-CE3 4.49Å; L251-F375 HydrophobicContact CB-CD2 4.31Å; L251-F375 HydrophobicContact CD2-CD1 4.17Å; L251-F375 HydrophobicContact CD2-CD2 3.45Å; L251-F375 VanDerWaalsContact CD2-CD2 3.45Å; L251-F375 HydrophobicContact CD2-CE1 4.19Å; L251-F375 HydrophobicContact CD2-CE2 3.47Å; L251-F375 VanDerWaalsContact CD2-CE2 3.47Å; L251-F375 HydrophobicContact CD2-CG 3.82Å; L251-F375 HydrophobicContact CD2-CZ 3.86Å; L251-F375 HydrophobicContact CG-CD2 4.4Å; L251-L388 HydrophobicContact CD2-CD1 4.31Å
252	H	97.9	Very high	95.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62	-45.8	176.9	165.1	75.7	0	0	0	111.4	T248 L249 A254 V255 S256 G257 S312 I319 Y323 L371	T248-H252 WeakPolarHBondContact O-CB 3.39Å; T248-H252 PolarHBondContact O-N 2.86Å; L249-H252 PolarHBondContact O-N 3.31Å; H252-A254 VanDerWaalsContact C-N 3.28Å; H252-A254 PolarHBondContact O-N 2.93Å; H252-V255 PolarHBondContact O-N 3.28Å; H252-S256 CarbonylContact O-C 2.97Å; H252-S256 WeakPolarHBondContact O-CA 3.44Å; H252-S256 PolarHBondContact O-N 3.5Å; H252-G257 PolarHBondContact O-N 2.99Å; H252-S312 PolarHBondContact CE1-OG 3.13Å; H252-S312 PolarHBondContact NE2-OG 3.4Å; H252-I319 HydrophobicContact CB-CD1 4Å; H252-I319 HydrophobicContact CB-CG1 4.39Å; H252-I319 HydrophobicContact CB-CG2 4.38Å; H252-Y323 HydrophobicContact CB-CE2 4.11Å; H252-Y323 AromaticContact ND1-CE2 3.35Å; H252-Y323 VanDerWaalsContact ND1-CE2 3.35Å; H252-Y323 WeakPolarHBondContact ND1-CE2 3.36Å; H252-Y323 AromaticContact ND1-CZ 3.66Å; H252-Y323 PolarHBondContact ND1-OH 2.85Å; H252-L371 HydrophobicContact CB-CD2 4.27Å
253	V	97.3	Very high	95.4	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-34.7	179.5	172.5	0	0	0	0	111.4	L249 S250 G257 C871	L249-V253 HydrophobicContact CD1-CG2 4Å; L249-V253 WeakPolarHBondContact O-CG2 3.15Å; L249-V253 PolarHBondContact O-N 2.93Å; S250-V253 PolarHBondContact O-N 3.21Å; V253-G257 WeakPolarHBondContact O-CA 3.44Å; V253-G257 PolarHBondContact O-N 3.07Å; V253-C871 VanDerWaalsContact CB-O 3.27Å; V253-C871 WeakPolarHBondContact CB-O 3.15Å; V253-C871 WeakPolarHBondContact CG1-O 3.46Å
254	A	96.8	Very high	95	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-45.1	173.1	0	0	0	0	0	112	S250 L251 H252 F375 F379 C871	S250-A254 PolarHBondContact O-N 2.77Å; L251-A254 WeakPolarHBondContact O-CB 3.45Å; L251-A254 PolarHBondContact O-N 3.47Å; H252-A254 VanDerWaalsContact C-N 3.28Å; H252-A254 PolarHBondContact O-N 2.93Å; A254-F375 HydrophobicContact CB-CD2 4.5Å; A254-F375 HydrophobicContact CB-CE2 4.16Å; A254-F379 HydrophobicContact CB-CE2 3.74Å; A254-F379 HydrophobicContact CB-CZ 3.75Å; A254-C871 VanDerWaalsContact CB-SG 3.53Å
255	V	97.5	Very high	94.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-81.6	-45.1	-172.7	170.6	0	0	0	0	112.9	L251 H252 L371 I374 F375 F379 T1065 R1066	L251-V255 WeakPolarHBondContact O-CG2 3.4Å; L251-V255 PolarHBondContact O-N 3.03Å; H252-V255 PolarHBondContact O-N 3.28Å; V255-L371 HydrophobicContact CB-CD1 4.22Å; V255-L371 HydrophobicContact CG1-CD1 4.38Å; V255-L371 HydrophobicContact CG2-CD1 4.01Å; V255-I374 HydrophobicContact CG1-CG2 3.65Å; V255-I374 HydrophobicContact CG2-CG2 4.35Å; V255-F375 HydrophobicContact CG2-CB 4.44Å; V255-F375 HydrophobicContact CG2-CD2 4.3Å; V255-F379 HydrophobicContact CG2-CE2 4.15Å; V255-T1065 CarbonylContact O-C 3.57Å; V255-T1065 WeakPolarHBondContact O-CA 3.25Å; V255-T1065 PolarHBondContact O-OG1 2.79Å; V255-R1066 PolarHBondContact O-N 3.45Å
256	S	96.8	Very high	94.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-138.2	26.3	-170.2	-76.6	0	0	0	0	112.3	H252 E310 T311 T1065	H252-S256 CarbonylContact O-C 2.97Å; H252-S256 WeakPolarHBondContact O-CA 3.44Å; H252-S256 PolarHBondContact O-N 3.5Å; S256-E310 WeakPolarHBondContact CB-O 3.49Å; S256-E310 PolarHBondContact OG-O 2.9Å; S256-T311 PolarHBondContact O-OG1 2.98Å; S256-T1065 VanDerWaalsContact C-OG1 3.23Å; S256-T1065 VanDerWaalsContact CA-OG1 3.25Å; S256-T1065 WeakPolarHBondContact CA-OG1 3.48Å
257	G	95.6	Very high	93.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	12%	0.12	C	C	.	.			trans	-68	157.7	176.9	0	0	0	0	0	113.9	H252 V253 T1065	H252-G257 PolarHBondContact O-N 2.99Å; V253-G257 WeakPolarHBondContact O-CA 3.44Å; V253-G257 PolarHBondContact O-N 3.07Å; G257-T1065 PolarHBondContact N-OG1 3.19Å; G257-T1065 VanDerWaalsContact N-OG1 3.08Å; G257-T1065 WeakPolarHBondContact O-CG2 3.19Å; G257-T1065 PolarHBondContact O-OG1 2.93Å
258	L	94.4	Very high	93.3	Very high	11 Å²	11	21.4 Å²	21.4	6%	0.058	12%	0.119	C	C	.	.			trans	-111.6	141.2	-176.5	-68.6	165.2	0	0	0	112.4	Q262 R263 K266 W307 T311 S312 L313 V874 A1067	L258-Q262 HydrophobicContact CB-CB 4.33Å; L258-Q262 HydrophobicContact CD2-CB 3.68Å; L258-R263 HydrophobicContact CB-CB 4.16Å; L258-K266 HydrophobicContact CD1-CB 4.16Å; L258-K266 HydrophobicContact CD1-CG 4.25Å; L258-W307 HydrophobicContact CD2-CE3 4.24Å; L258-W307 HydrophobicContact CD2-CZ3 3.61Å; L258-T311 HydrophobicContact CD1-CG2 4.48Å; L258-T311 HydrophobicContact CD2-CG2 3.75Å; L258-T311 VanDerWaalsContact CD2-OG1 3.28Å; L258-T311 WeakPolarHBondContact CD2-OG1 3.32Å; L258-T311 HydrophobicContact CG-CG2 4.42Å; L258-T311 VanDerWaalsContact CG-OG1 3.22Å; L258-T311 WeakPolarHBondContact CG-OG1 3.46Å; L258-S312 VanDerWaalsContact CD1-O 3.3Å; L258-S312 WeakPolarHBondContact CD1-O 3.28Å; L258-L313 HydrophobicContact CD1-CD2 4.43Å; L258-V874 WeakPolarHBondContact O-CG2 3.43Å; L258-A1067 HydrophobicContact CD2-CB 4.06Å
259	T	92.2	Very high	92.6	Very high	22 Å²	22	21.8 Å²	21.8	14%	0.135	12%	0.122	C	C	.	.			trans	-68.1	163.1	163.9	62.9	0	0	0	0	110.9	T261 Q262 R263 V874 L1068	T259-T261 VanDerWaalsContact C-N 3.28Å; T259-T261 PolarHBondContact O-N 3.11Å; T259-Q262 PolarHBondContact O-N 2.85Å; T259-Q262 WeakPolarHBondContact OG1-CB 3.32Å; T259-Q262 VanDerWaalsContact OG1-CG 3.23Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.46Å; T259-Q262 PolarHBondContact OG1-N 3.42Å; T259-Q262 PolarHBondContact OG1-OE1 2.82Å; T259-R263 WeakPolarHBondContact O-CB 3.4Å; T259-R263 PolarHBondContact O-N 2.92Å; T259-V874 HydrophobicContact CG2-CG2 4.28Å; T259-L1068 HydrophobicContact CG2-CD1 3.9Å; T259-L1068 HydrophobicContact CG2-CD2 4.5Å
260	S	87.5	Confident	92	Very high	110 Å²	110	25.1 Å²	25.1	77%	0.769	14%	0.14	S	C	*	.	H	α-helix	trans	-56.2	-42.1	178.5	-52.9	0	0	0	0	112.7	F264	S260-F264 PolarHBondContact O-N 3.4Å; S260-F264 VanDerWaalsContact O-N 3.16Å
261	T	86.8	Confident	91.4	Very high	67 Å²	67	31.7 Å²	31.7	41%	0.411	17%	0.168	S	C	.	.	H	α-helix	trans	-66.2	-46.5	176.8	-51.6	0	0	0	0	111.3	T259 R263 F264 L265 F1077	T259-T261 VanDerWaalsContact C-N 3.28Å; T259-T261 PolarHBondContact O-N 3.11Å; T261-R263 VanDerWaalsContact C-N 3.34Å; T261-R263 PolarHBondContact O-N 3.13Å; T261-F264 WeakPolarHBondContact O-CB 3.3Å; T261-F264 PolarHBondContact O-N 3.04Å; T261-L265 HydrophobicContact CG2-CD1 4.41Å; T261-L265 WeakPolarHBondContact O-CG 3.4Å; T261-L265 PolarHBondContact O-N 3.23Å; T261-F1077 HydrophobicContact CG2-CE1 4.06Å
262	Q	91.2	Very high	90.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-37.5	178	-70.8	175.4	-65.5	0	0	112.4	L258 T259 F264 L265 K266 W307 A1067 F1077	L258-Q262 HydrophobicContact CB-CB 4.33Å; L258-Q262 HydrophobicContact CD2-CB 3.68Å; T259-Q262 PolarHBondContact O-N 2.85Å; T259-Q262 WeakPolarHBondContact OG1-CB 3.32Å; T259-Q262 VanDerWaalsContact OG1-CG 3.23Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.46Å; T259-Q262 PolarHBondContact OG1-N 3.42Å; T259-Q262 PolarHBondContact OG1-OE1 2.82Å; Q262-F264 VanDerWaalsContact C-N 3.3Å; Q262-F264 PolarHBondContact O-N 3.27Å; Q262-L265 PolarHBondContact O-N 2.84Å; Q262-K266 WeakPolarHBondContact O-CB 3.34Å; Q262-K266 PolarHBondContact O-N 2.86Å; Q262-W307 HydrophobicContact CB-CH2 3.65Å; Q262-W307 HydrophobicContact CB-CZ2 4.41Å; Q262-W307 HydrophobicContact CB-CZ3 3.82Å; Q262-W307 HydrophobicContact CG-CH2 3.85Å; Q262-W307 HydrophobicContact CG-CZ2 4.14Å; Q262-W307 HydrophobicContact CG-CZ3 4.09Å; Q262-A1067 PolarHBondContact NE2-O 3.09Å; Q262-F1077 HydrophobicContact CG-CD1 4.4Å; Q262-F1077 HydrophobicContact CG-CD2 4.46Å; Q262-F1077 HydrophobicContact CG-CE1 3.94Å; Q262-F1077 HydrophobicContact CG-CE2 4Å; Q262-F1077 HydrophobicContact CG-CZ 3.72Å
263	R	91.7	Very high	89.8	Confident	78 Å²	78	42 Å²	42	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-59.8	-42.2	175.2	-176.6	179.7	-64.2	-84.3	-4.2	111.6	L258 T259 T261 T267 L313 N314	L258-R263 HydrophobicContact CB-CB 4.16Å; T259-R263 WeakPolarHBondContact O-CB 3.4Å; T259-R263 PolarHBondContact O-N 2.92Å; T261-R263 VanDerWaalsContact C-N 3.34Å; T261-R263 PolarHBondContact O-N 3.13Å; R263-T267 WeakPolarHBondContact O-CB 3.34Å; R263-T267 PolarHBondContact O-N 3.1Å; R263-T267 PolarHBondContact O-OG1 3.33Å; R263-L313 HydrophobicContact CG-CD2 3.93Å; R263-N314 PolarHBondContact NH1-OD1 2.92Å; R263-N314 PolarHBondContact NH2-OD1 3.38Å
264	F	88	Confident	88.9	Confident	73 Å²	73	43.1 Å²	43.1	32%	0.32	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-50.1	174.3	-173.3	-86.2	0	0	0	111.5	S260 T261 Q262 K266 T267 S268 N276 T278	S260-F264 PolarHBondContact O-N 3.4Å; S260-F264 VanDerWaalsContact O-N 3.16Å; T261-F264 WeakPolarHBondContact O-CB 3.3Å; T261-F264 PolarHBondContact O-N 3.04Å; Q262-F264 VanDerWaalsContact C-N 3.3Å; Q262-F264 PolarHBondContact O-N 3.27Å; F264-K266 PolarHBondContact O-N 3.09Å; F264-T267 PolarHBondContact O-N 3.44Å; F264-S268 PolarHBondContact O-N 3.45Å; F264-S268 PolarHBondContact O-OG 2.79Å; F264-N276 HydrophobicContact CE1-CB 4.41Å; F264-N276 WeakPolarHBondContact CE1-OD1 3.27Å; F264-N276 WeakPolarHBondContact CZ-ND2 3.34Å; F264-N276 WeakPolarHBondContact CZ-OD1 3.39Å; F264-T278 HydrophobicContact CD1-CG2 4.09Å; F264-T278 VanDerWaalsContact CE1-CB 3.41Å; F264-T278 HydrophobicContact CE1-CG2 4.11Å
265	L	88.6	Confident	87.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-45.6	178.1	-66.3	172.6	0	0	0	111.6	T261 Q262 T267 S268 A269 W279 F282 W307 F1077	T261-L265 HydrophobicContact CG2-CD1 4.41Å; T261-L265 WeakPolarHBondContact O-CG 3.4Å; T261-L265 PolarHBondContact O-N 3.23Å; Q262-L265 PolarHBondContact O-N 2.84Å; L265-T267 PolarHBondContact O-N 2.8Å; L265-S268 PolarHBondContact O-N 3.1Å; L265-A269 WeakPolarHBondContact O-CB 3.41Å; L265-A269 PolarHBondContact O-N 2.73Å; L265-W279 HydrophobicContact CB-CE3 4.32Å; L265-W279 HydrophobicContact CB-CZ3 4.2Å; L265-W279 HydrophobicContact CD2-CD2 4.4Å; L265-W279 HydrophobicContact CD2-CE3 3.66Å; L265-W279 HydrophobicContact CD2-CZ3 4.24Å; L265-W279 VanDerWaalsContact O-CZ3 3.28Å; L265-W279 WeakPolarHBondContact O-CZ3 3.29Å; L265-F282 HydrophobicContact CD1-CD1 3.9Å; L265-F282 HydrophobicContact CD1-CD2 4.11Å; L265-F282 HydrophobicContact CD1-CE1 4.08Å; L265-F282 HydrophobicContact CD1-CE2 4.27Å; L265-F282 HydrophobicContact CD1-CG 3.93Å; L265-F282 HydrophobicContact CD1-CZ 4.27Å; L265-F282 HydrophobicContact CD2-CB 4.12Å; L265-F282 HydrophobicContact CD2-CD1 4.37Å; L265-F282 HydrophobicContact CD2-CG 4.27Å; L265-W307 HydrophobicContact CB-CH2 4.21Å; L265-W307 HydrophobicContact CB-CZ2 4.36Å; L265-W307 HydrophobicContact CD1-CZ2 4.24Å; L265-F1077 HydrophobicContact CD1-CZ 4.15Å
266	K	90.4	Very high	86.8	Confident	26 Å²	26	51.6 Å²	51.6	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-46.1	176	-175	65.2	167.7	83.1	0	111.4	L258 Q262 F264 S268 A269 D270 L308 T311	L258-K266 HydrophobicContact CD1-CB 4.16Å; L258-K266 HydrophobicContact CD1-CG 4.25Å; Q262-K266 WeakPolarHBondContact O-CB 3.34Å; Q262-K266 PolarHBondContact O-N 2.86Å; F264-K266 PolarHBondContact O-N 3.09Å; K266-S268 VanDerWaalsContact C-N 3.33Å; K266-S268 PolarHBondContact O-N 3.43Å; K266-A269 PolarHBondContact O-N 3.2Å; K266-D270 IonicContact NZ-OD1 3.97Å; K266-D270 PolarHBondContact NZ-OD1 3.38Å; K266-D270 IonicContact NZ-OD2 3.08Å; K266-D270 PolarHBondContact NZ-OD2 3.2Å; K266-D270 WeakPolarHBondContact O-CB 3.41Å; K266-D270 PolarHBondContact O-N 2.95Å; K266-L308 HydrophobicContact CB-CD2 4.14Å; K266-L308 HydrophobicContact CD-CD2 3.48Å; K266-L308 VanDerWaalsContact CD-CD2 3.48Å; K266-L308 VanDerWaalsContact CE-O 3.3Å; K266-L308 WeakPolarHBondContact CE-O 3.2Å; K266-L308 HydrophobicContact CG-CD2 4.44Å; K266-T311 HydrophobicContact CD-CG2 4.35Å; K266-T311 WeakPolarHBondContact CE-O 3.34Å
267	T	88.6	Confident	85.7	Confident	38 Å²	38	57.9 Å²	57.9	23%	0.233	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-40.8	177.2	-54.8	0	0	0	0	111.6	R263 F264 L265 K271	R263-T267 WeakPolarHBondContact O-CB 3.34Å; R263-T267 PolarHBondContact O-N 3.1Å; R263-T267 PolarHBondContact O-OG1 3.33Å; F264-T267 PolarHBondContact O-N 3.44Å; L265-T267 PolarHBondContact O-N 2.8Å; T267-K271 HydrophobicContact CG2-CD 4.02Å; T267-K271 WeakPolarHBondContact O-CB 3.49Å; T267-K271 WeakPolarHBondContact O-CG 3.48Å; T267-K271 PolarHBondContact O-N 2.61Å; T267-K271 VanDerWaalsContact O-N 3.09Å
268	S	86.5	Confident	84.6	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175.7	-65.7	0	0	0	0	112	F264 L265 K266 H272 L273	F264-S268 PolarHBondContact O-N 3.45Å; F264-S268 PolarHBondContact O-OG 2.79Å; L265-S268 PolarHBondContact O-N 3.1Å; K266-S268 VanDerWaalsContact C-N 3.33Å; K266-S268 PolarHBondContact O-N 3.43Å; S268-H272 CarbonylContact O-C 3.55Å; S268-H272 PolarHBondContact O-N 3.27Å; S268-H272 VanDerWaalsContact O-N 3.1Å; S268-L273 PolarHBondContact O-N 3.11Å
269	A	84.7	Confident	83.8	Confident	8 Å²	8	60.1 Å²	60.1	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-51.7	176.1	0	0	0	0	0	111.5	L265 K266 K271 H272 W279 V302 L308	L265-A269 WeakPolarHBondContact O-CB 3.41Å; L265-A269 PolarHBondContact O-N 2.73Å; K266-A269 PolarHBondContact O-N 3.2Å; A269-K271 VanDerWaalsContact C-N 3.25Å; A269-K271 PolarHBondContact O-N 3.25Å; A269-H272 PolarHBondContact O-N 2.89Å; A269-W279 HydrophobicContact CB-CH2 3.93Å; A269-W279 HydrophobicContact CB-CZ3 3.89Å; A269-V302 HydrophobicContact CB-CG1 4.46Å; A269-L308 HydrophobicContact CB-CD1 4.13Å
270	D	83.8	Confident	83	Confident	79 Å²	79	63.4 Å²	63.4	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-31.1	-176.7	-66.6	-9.8	0	0	0	112.8	K266	K266-D270 IonicContact NZ-OD1 3.97Å; K266-D270 PolarHBondContact NZ-OD1 3.38Å; K266-D270 IonicContact NZ-OD2 3.08Å; K266-D270 PolarHBondContact NZ-OD2 3.2Å; K266-D270 WeakPolarHBondContact O-CB 3.41Å; K266-D270 PolarHBondContact O-N 2.95Å
271	K	85.4	Confident	82.3	Confident	138 Å²	138	62.4 Å²	62.4	60%	0.6	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	5.5	177.4	-63.1	-175.2	178.7	-176.4	0	113.6	T267 A269 L273	T267-K271 HydrophobicContact CG2-CD 4.02Å; T267-K271 WeakPolarHBondContact O-CB 3.49Å; T267-K271 WeakPolarHBondContact O-CG 3.48Å; T267-K271 PolarHBondContact O-N 2.61Å; T267-K271 VanDerWaalsContact O-N 3.09Å; A269-K271 VanDerWaalsContact C-N 3.25Å; A269-K271 PolarHBondContact O-N 3.25Å; K271-L273 HydrophobicContact CB-CD1 3.77Å; K271-L273 HydrophobicContact CB-CG 3.76Å; K271-L273 HydrophobicContact CD-CD1 4.1Å; K271-L273 PolarHBondContact O-N 2.95Å
272	H	81.8	Confident	81.9	Confident	139 Å²	139	61 Å²	61	64%	0.644	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.1	-175.5	-58	-79.6	0	0	0	114.4	S268 A269 F274	S268-H272 CarbonylContact O-C 3.55Å; S268-H272 PolarHBondContact O-N 3.27Å; S268-H272 VanDerWaalsContact O-N 3.1Å; A269-H272 PolarHBondContact O-N 2.89Å; H272-F274 VanDerWaalsContact C-N 3.35Å; H272-F274 HydrophobicContact CB-CD2 4.49Å; H272-F274 HydrophobicContact CB-CE2 3.9Å; H272-F274 HydrophobicContact CB-CZ 4.32Å; H272-F274 AromaticContact ND1-CE2 3.7Å; H272-F274 AromaticContact ND1-CZ 3.72Å; H272-F274 PolarHBondContact O-N 3.11Å
273	L	80.6	Confident	81.3	Confident	81 Å²	81	61.5 Å²	61.5	42%	0.424	30%	0.296	S	S	.	.			trans	-91.2	52.5	-178.3	-62.8	172.8	0	0	0	112.5	S268 K271 N275 N276	S268-L273 PolarHBondContact O-N 3.11Å; K271-L273 HydrophobicContact CB-CD1 3.77Å; K271-L273 HydrophobicContact CB-CG 3.76Å; K271-L273 HydrophobicContact CD-CD1 4.1Å; K271-L273 PolarHBondContact O-N 2.95Å; L273-N275 VanDerWaalsContact C-N 3.26Å; L273-N275 PolarHBondContact O-N 3.27Å; L273-N276 VanDerWaalsContact O-CB 3.25Å; L273-N276 WeakPolarHBondContact O-CB 3.33Å; L273-N276 PolarHBondContact O-N 2.63Å
274	F	78.5	Confident	80.2	Confident	27 Å²	27	59.2 Å²	59.2	12%	0.118	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.5	-171.5	-53.3	-57.6	0	0	0	115.4	H272 N276 W279 T298 V302	H272-F274 VanDerWaalsContact C-N 3.35Å; H272-F274 HydrophobicContact CB-CD2 4.49Å; H272-F274 HydrophobicContact CB-CE2 3.9Å; H272-F274 HydrophobicContact CB-CZ 4.32Å; H272-F274 AromaticContact ND1-CE2 3.7Å; H272-F274 AromaticContact ND1-CZ 3.72Å; H272-F274 PolarHBondContact O-N 3.11Å; F274-N276 PolarHBondContact O-N 3.02Å; F274-W279 HydrophobicContact CD1-CD2 4.12Å; F274-W279 AromaticContact CD1-CE2 3.56Å; F274-W279 HydrophobicContact CD1-CH2 4.33Å; F274-W279 AromaticContact CD1-CZ2 3.69Å; F274-W279 HydrophobicContact CD1-CZ2 3.69Å; F274-W279 AromaticContact CD1-NE1 3.69Å; F274-W279 HydrophobicContact CE1-CH2 4.15Å; F274-W279 AromaticContact CE1-CZ2 3.81Å; F274-W279 HydrophobicContact CE1-CZ2 3.81Å; F274-T298 HydrophobicContact CB-CG2 3.31Å; F274-T298 HydrophobicContact CD1-CG2 4.07Å; F274-T298 HydrophobicContact CD2-CG2 3.43Å; F274-T298 VanDerWaalsContact CD2-CG2 3.43Å; F274-T298 HydrophobicContact CE2-CG2 4.21Å; F274-T298 HydrophobicContact CG-CG2 3.33Å; F274-V302 HydrophobicContact CD1-CG2 4.35Å; F274-V302 HydrophobicContact CE1-CG2 3.4Å; F274-V302 VanDerWaalsContact CE1-CG2 3.4Å; F274-V302 HydrophobicContact CZ-CG2 3.66Å
275	N	74.1	Confident	79.3	Confident	130 Å²	130	64.2 Å²	64.2	70%	0.695	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-3	172.2	34.6	-7.4	0	0	0	112.9	L273	L273-N275 VanDerWaalsContact C-N 3.26Å; L273-N275 PolarHBondContact O-N 3.27Å
276	N	74.8	Confident	78.1	Confident	52 Å²	52	66.5 Å²	66.5	28%	0.278	32%	0.324	S	S	.	.			trans	-65.4	135.9	174.8	-166.8	-58	0	0	0	112.4	F264 L273 F274 T278 W279 Q280	F264-N276 HydrophobicContact CE1-CB 4.41Å; F264-N276 WeakPolarHBondContact CE1-OD1 3.27Å; F264-N276 WeakPolarHBondContact CZ-ND2 3.34Å; F264-N276 WeakPolarHBondContact CZ-OD1 3.39Å; L273-N276 VanDerWaalsContact O-CB 3.25Å; L273-N276 WeakPolarHBondContact O-CB 3.33Å; L273-N276 PolarHBondContact O-N 2.63Å; F274-N276 PolarHBondContact O-N 3.02Å; N276-T278 PolarHBondContact O-N 3.15Å; N276-T278 PolarHBondContact OD1-N 3.35Å; N276-W279 HydrophobicContact CB-CB 4.31Å; N276-W279 WeakPolarHBondContact O-CB 3.31Å; N276-W279 PolarHBondContact O-N 3.12Å; N276-Q280 PolarHBondContact O-N 3.44Å
277	K	74.3	Confident	76.5	Confident	132 Å²	132	67.7 Å²	67.7	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-51.5	-48.3	179.7	-176.7	176.6	171.3	179.8	0	113.1	W279 Q280 E281	K277-W279 VanDerWaalsContact C-N 3.34Å; K277-W279 PolarHBondContact O-N 3.14Å; K277-Q280 PolarHBondContact O-N 2.88Å; K277-E281 WeakPolarHBondContact CE-OE1 3.35Å; K277-E281 HydrophobicContact CG-CG 4.4Å; K277-E281 IonicContact NZ-OE1 3.35Å; K277-E281 WeakPolarHBondContact O-CB 3.1Å; K277-E281 WeakPolarHBondContact O-CG 3.47Å; K277-E281 PolarHBondContact O-N 3.07Å
278	T	71.8	Confident	74.8	Confident	55 Å²	55	73 Å²	73	34%	0.337	36%	0.358	S	S	.	.	H	α-helix	trans	-69.4	-34.2	-175.7	-46.4	0	0	0	0	111.8	F264 N276 F282	F264-T278 HydrophobicContact CD1-CG2 4.09Å; F264-T278 VanDerWaalsContact CE1-CB 3.41Å; F264-T278 HydrophobicContact CE1-CG2 4.11Å; N276-T278 PolarHBondContact O-N 3.15Å; N276-T278 PolarHBondContact OD1-N 3.35Å; T278-F282 WeakPolarHBondContact O-CB 3.07Å; T278-F282 PolarHBondContact O-N 3.24Å
279	W	77.7	Confident	73.1	Confident	5 Å²	5	80.5 Å²	80.5	2%	0.019	39%	0.39	C	S	.	.	H	α-helix	trans	-63.2	-49.6	172.8	-178.8	-86.5	0	0	0	110.7	L265 A269 F274 N276 K277 E281 F282 I283 V302 L305	L265-W279 HydrophobicContact CB-CE3 4.32Å; L265-W279 HydrophobicContact CB-CZ3 4.2Å; L265-W279 HydrophobicContact CD2-CD2 4.4Å; L265-W279 HydrophobicContact CD2-CE3 3.66Å; L265-W279 HydrophobicContact CD2-CZ3 4.24Å; L265-W279 VanDerWaalsContact O-CZ3 3.28Å; L265-W279 WeakPolarHBondContact O-CZ3 3.29Å; A269-W279 HydrophobicContact CB-CH2 3.93Å; A269-W279 HydrophobicContact CB-CZ3 3.89Å; F274-W279 HydrophobicContact CD1-CD2 4.12Å; F274-W279 AromaticContact CD1-CE2 3.56Å; F274-W279 HydrophobicContact CD1-CH2 4.33Å; F274-W279 AromaticContact CD1-CZ2 3.69Å; F274-W279 HydrophobicContact CD1-CZ2 3.69Å; F274-W279 AromaticContact CD1-NE1 3.69Å; F274-W279 HydrophobicContact CE1-CH2 4.15Å; F274-W279 AromaticContact CE1-CZ2 3.81Å; F274-W279 HydrophobicContact CE1-CZ2 3.81Å; N276-W279 HydrophobicContact CB-CB 4.31Å; N276-W279 WeakPolarHBondContact O-CB 3.31Å; N276-W279 PolarHBondContact O-N 3.12Å; K277-W279 VanDerWaalsContact C-N 3.34Å; K277-W279 PolarHBondContact O-N 3.14Å; W279-E281 VanDerWaalsContact C-N 3.35Å; W279-E281 PolarHBondContact O-N 3.12Å; W279-F282 PolarHBondContact O-N 2.87Å; W279-I283 HydrophobicContact CZ2-CG1 4.46Å; W279-I283 WeakPolarHBondContact O-CG1 3.35Å; W279-I283 PolarHBondContact O-N 3.41Å; W279-V302 HydrophobicContact CH2-CG2 3.89Å; W279-V302 HydrophobicContact CZ2-CG2 3.71Å; W279-L305 HydrophobicContact CH2-CD1 3.87Å; W279-L305 HydrophobicContact CZ3-CD1 4.33Å
280	Q	75.4	Confident	71.1	Confident	91 Å²	91	86.1 Å²	86.1	43%	0.425	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-39.3	178.7	-67.7	-161.8	-3.7	0	0	112.8	N276 K277 G284	N276-Q280 PolarHBondContact O-N 3.44Å; K277-Q280 PolarHBondContact O-N 2.88Å; Q280-G284 WeakPolarHBondContact O-CA 3.48Å; Q280-G284 PolarHBondContact O-N 3.3Å
281	E	74.6	Confident	69	Low	89 Å²	89	88.1 Å²	88.1	42%	0.416	43%	0.433	S	S	.	.	H	α-helix	trans	-64.9	-42.9	176.1	-77	174.9	172.8	0	0	112	K277 W279 R285	K277-E281 WeakPolarHBondContact CE-OE1 3.35Å; K277-E281 HydrophobicContact CG-CG 4.4Å; K277-E281 IonicContact NZ-OE1 3.35Å; K277-E281 WeakPolarHBondContact O-CB 3.1Å; K277-E281 WeakPolarHBondContact O-CG 3.47Å; K277-E281 PolarHBondContact O-N 3.07Å; W279-E281 VanDerWaalsContact C-N 3.35Å; W279-E281 PolarHBondContact O-N 3.12Å; E281-R285 WeakPolarHBondContact O-CG 3.36Å; E281-R285 PolarHBondContact O-N 3.47Å; E281-R285 VanDerWaalsContact O-N 3.13Å
282	F	77.9	Confident	66.7	Low	36 Å²	36	90.7 Å²	90.7	16%	0.158	45%	0.452	C	S	.	.	H	α-helix	trans	-65.5	-50.6	179.5	-175.2	-95	0	0	0	111.5	L265 T278 W279 G284 R285 K286 L305 F1077	L265-F282 HydrophobicContact CD1-CD1 3.9Å; L265-F282 HydrophobicContact CD1-CD2 4.11Å; L265-F282 HydrophobicContact CD1-CE1 4.08Å; L265-F282 HydrophobicContact CD1-CE2 4.27Å; L265-F282 HydrophobicContact CD1-CG 3.93Å; L265-F282 HydrophobicContact CD1-CZ 4.27Å; L265-F282 HydrophobicContact CD2-CB 4.12Å; L265-F282 HydrophobicContact CD2-CD1 4.37Å; L265-F282 HydrophobicContact CD2-CG 4.27Å; T278-F282 WeakPolarHBondContact O-CB 3.07Å; T278-F282 PolarHBondContact O-N 3.24Å; W279-F282 PolarHBondContact O-N 2.87Å; F282-G284 VanDerWaalsContact C-N 3.35Å; F282-G284 PolarHBondContact O-N 3.35Å; F282-R285 PolarHBondContact O-N 2.88Å; F282-K286 PolarHBondContact O-N 3.46Å; F282-L305 HydrophobicContact CE1-CD2 3.94Å; F282-F1077 AromaticContact CE2-CE1 3.91Å; F282-F1077 HydrophobicContact CE2-CE1 3.91Å; F282-F1077 HydrophobicContact CE2-CE2 4.27Å; F282-F1077 AromaticContact CE2-CZ 3.53Å; F282-F1077 HydrophobicContact CE2-CZ 3.53Å; F282-F1077 HydrophobicContact CZ-CE1 4.42Å; F282-F1077 AromaticContact CZ-CE2 3.99Å; F282-F1077 HydrophobicContact CZ-CE2 3.99Å; F282-F1077 AromaticContact CZ-CZ 3.59Å; F282-F1077 HydrophobicContact CZ-CZ 3.59Å
283	I	77.1	Confident	64.8	Low	11 Å²	11	87.3 Å²	87.3	6%	0.056	46%	0.455	C	S	.	.	H	α-helix	trans	-65.6	-39	178	-65.6	-59.9	0	0	0	111.5	W279 R285 K286 N287 L301 L305	W279-I283 HydrophobicContact CZ2-CG1 4.46Å; W279-I283 WeakPolarHBondContact O-CG1 3.35Å; W279-I283 PolarHBondContact O-N 3.41Å; I283-R285 VanDerWaalsContact C-N 3.33Å; I283-R285 PolarHBondContact O-N 2.81Å; I283-K286 WeakPolarHBondContact O-CB 3.4Å; I283-K286 PolarHBondContact O-N 2.95Å; I283-N287 PolarHBondContact O-N 3.48Å; I283-L301 HydrophobicContact CD1-CB 4.48Å; I283-L301 HydrophobicContact CG2-CD1 3.86Å; I283-L301 HydrophobicContact CG2-CD2 3.57Å; I283-L301 HydrophobicContact CG2-CG 4.19Å; I283-L305 HydrophobicContact CD1-CD1 4.42Å
284	G	70	Confident	63.3	Low	30 Å²	30	87 Å²	87	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-56.2	-45.7	176.1	0	0	0	0	0	112.3	Q280 F282 K286 N287 D288	Q280-G284 WeakPolarHBondContact O-CA 3.48Å; Q280-G284 PolarHBondContact O-N 3.3Å; F282-G284 VanDerWaalsContact C-N 3.35Å; F282-G284 PolarHBondContact O-N 3.35Å; G284-K286 VanDerWaalsContact C-N 3.27Å; G284-K286 PolarHBondContact O-N 3.37Å; G284-N287 PolarHBondContact O-N 3.3Å; G284-D288 PolarHBondContact O-N 2.81Å
285	R	68.5	Low	62	Low	178 Å²	178	95.6 Å²	95.6	67%	0.672	51%	0.508	S	S	*	.	H	α-helix	trans	-63.4	-29.5	175.4	-72.2	176.9	-173.7	-167.5	0.1	113.6	E281 F282 I283	E281-R285 WeakPolarHBondContact O-CG 3.36Å; E281-R285 PolarHBondContact O-N 3.47Å; E281-R285 VanDerWaalsContact O-N 3.13Å; F282-R285 PolarHBondContact O-N 2.88Å; I283-R285 VanDerWaalsContact C-N 3.33Å; I283-R285 PolarHBondContact O-N 2.81Å
286	K	64.1	Low	60.9	Low	49 Å²	49	92 Å²	92	21%	0.213	49%	0.492	C	S	.	.	H	α-helix	trans	-72.9	-40.3	177.7	-141.8	-171.3	-179.6	-155.7	0	110.5	F282 I283 G284 K289 D304	F282-K286 PolarHBondContact O-N 3.46Å; I283-K286 WeakPolarHBondContact O-CB 3.4Å; I283-K286 PolarHBondContact O-N 2.95Å; G284-K286 VanDerWaalsContact C-N 3.27Å; G284-K286 PolarHBondContact O-N 3.37Å; K286-K289 PolarHBondContact O-N 3.03Å; K286-D304 PolarHBondContact NZ-O 3.47Å; K286-D304 IonicContact NZ-OD2 2.78Å; K286-D304 PolarHBondContact NZ-OD2 2.94Å
287	N	56.3	Low	60	Low	51 Å²	51	92.9 Å²	92.9	27%	0.273	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-33.3	179.9	-72.2	-8.4	0	0	0	113.4	I283 G284 K289 Q290	I283-N287 PolarHBondContact O-N 3.48Å; G284-N287 PolarHBondContact O-N 3.3Å; N287-K289 PolarHBondContact O-N 2.93Å; N287-Q290 PolarHBondContact O-N 3.07Å
288	D	52.9	Low	59.2	Low	148 Å²	148	89.5 Å²	89.5	79%	0.791	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15	175.5	-77.7	-18.3	0	0	0	113.4	G284	G284-D288 PolarHBondContact O-N 2.81Å
289	K	49.9	Very low	58.3	Low	162 Å²	162	92.9 Å²	92.9	70%	0.704	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-5.6	175.1	-65.2	-176	179.6	177.8	0	114.2	K286 N287	K286-K289 PolarHBondContact O-N 3.03Å; N287-K289 PolarHBondContact O-N 2.93Å
290	Q	44.4	Very low	57.3	Low	125 Å²	125	94.8 Å²	94.8	58%	0.584	52%	0.521	S	S	*	.	S	Bend	trans	-106.2	137.3	176.7	-77.4	-176.5	-4.7	0	0	111.2	N287	N287-Q290 PolarHBondContact O-N 3.07Å
291	P	38.7	Very low	56.5	Low	122 Å²	122	91.3 Å²	91.3	79%	0.792	51%	0.506	S	S	*	.			trans	-69.3	148.6	-179	24.6	-25.5	0	0	0	111.5	G293	P291-G293 PolarHBondContact O-N 2.89Å
292	L	36.7	Very low	55.8	Low	192 Å²	192	88.9 Å²	88.9	100%	1.005	50%	0.497	S	S	*	.	S	Bend	trans	-41.7	102.4	-171.3	-80.7	84	0	0	0	114
293	G	43.1	Very low	54.8	Low	68 Å²	68	94.6 Å²	94.6	70%	0.701	53%	0.526	S	S	*	.			trans	-144.7	148.7	164.5	0	0	0	0	0	108.6	P291	P291-G293 PolarHBondContact O-N 2.89Å
294	G	48.5	Very low	54.3	Low	75 Å²	75	97.7 Å²	97.7	77%	0.773	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-48.6	148	-166	0	0	0	0	0	115.8	P296	G294-P296 WeakPolarHBondContact O-CD 3.22Å; G294-P296 VanDerWaalsContact O-N 3.11Å
295	K	50.2	Low	54.8	Low	206 Å²	206	96.5 Å²	96.5	90%	0.896	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-51.8	116.8	178.6	-81.6	-178.9	177.5	175	0	110.2
296	P	51.7	Low	55.6	Low	55 Å²	55	92.1 Å²	92.1	36%	0.357	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-62.8	153.1	177.8	-12.1	22.8	0	0	0	110.9	G294 A300 L301	G294-P296 WeakPolarHBondContact O-CD 3.22Å; G294-P296 VanDerWaalsContact O-N 3.11Å; P296-A300 HydrophobicContact CB-CB 4.36Å; P296-L301 HydrophobicContact CB-CD2 4.49Å; P296-L301 HydrophobicContact CB-CG 4.19Å; P296-L301 HydrophobicContact CG-CD2 4.26Å; P296-L301 HydrophobicContact CG-CG 4.46Å
297	S	57.1	Low	56.9	Low	71 Å²	71	90 Å²	90	50%	0.497	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-62.4	152.5	170.7	61.8	0	0	0	0	110.7	E299 A300 L301	S297-E299 VanDerWaalsContact C-N 3.25Å; S297-E299 PolarHBondContact O-N 3.4Å; S297-A300 WeakPolarHBondContact O-CB 3.47Å; S297-A300 PolarHBondContact O-N 3.4Å; S297-A300 VanDerWaalsContact O-N 3.1Å; S297-L301 PolarHBondContact O-N 2.96Å
298	T	56.8	Low	58.4	Low	60 Å²	60	88.4 Å²	88.4	37%	0.368	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-33.9	-174.2	-35.8	0	0	0	0	112.6	F274 L301	F274-T298 HydrophobicContact CB-CG2 3.31Å; F274-T298 HydrophobicContact CD1-CG2 4.07Å; F274-T298 HydrophobicContact CD2-CG2 3.43Å; F274-T298 VanDerWaalsContact CD2-CG2 3.43Å; F274-T298 HydrophobicContact CE2-CG2 4.21Å; F274-T298 HydrophobicContact CG-CG2 3.33Å; T298-L301 PolarHBondContact O-N 3.25Å
299	E	52.7	Low	60.1	Low	127 Å²	127	85.6 Å²	85.6	59%	0.593	49%	0.493	S	S	*	.	H	α-helix	trans	-67	-40.1	174.7	-64.3	79.2	-160.2	0	0	112.5	S297 L301 V302 M303	S297-E299 VanDerWaalsContact C-N 3.25Å; S297-E299 PolarHBondContact O-N 3.4Å; E299-L301 PolarHBondContact O-N 3.47Å; E299-V302 PolarHBondContact O-N 3.23Å; E299-V302 VanDerWaalsContact O-N 3.17Å; E299-M303 PolarHBondContact O-N 2.95Å
300	A	56	Low	62.1	Low	44 Å²	44	80.3 Å²	80.3	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-31.9	179.1	0	0	0	0	0	112.2	P296 S297 M303 D304	P296-A300 HydrophobicContact CB-CB 4.36Å; S297-A300 WeakPolarHBondContact O-CB 3.47Å; S297-A300 PolarHBondContact O-N 3.4Å; S297-A300 VanDerWaalsContact O-N 3.1Å; A300-M303 PolarHBondContact O-N 2.94Å; A300-D304 PolarHBondContact O-N 2.78Å
301	L	59.2	Low	64.5	Low	19 Å²	19	74.6 Å²	74.6	10%	0.099	44%	0.444	C	S	.	.	H	α-helix	trans	-71.3	-27.4	177.9	-74.1	158.7	0	0	0	113.7	I283 P296 S297 T298 E299	I283-L301 HydrophobicContact CD1-CB 4.48Å; I283-L301 HydrophobicContact CG2-CD1 3.86Å; I283-L301 HydrophobicContact CG2-CD2 3.57Å; I283-L301 HydrophobicContact CG2-CG 4.19Å; P296-L301 HydrophobicContact CB-CD2 4.49Å; P296-L301 HydrophobicContact CB-CG 4.19Å; P296-L301 HydrophobicContact CG-CD2 4.26Å; P296-L301 HydrophobicContact CG-CG 4.46Å; S297-L301 PolarHBondContact O-N 2.96Å; T298-L301 PolarHBondContact O-N 3.25Å; E299-L301 PolarHBondContact O-N 3.47Å
302	V	59.5	Low	67.1	Low	38 Å²	38	69.1 Å²	69.1	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-72.7	-40.3	173.1	179.3	0	0	0	0	110.1	A269 F274 W279 E299 D304 L305 L308	A269-V302 HydrophobicContact CB-CG1 4.46Å; F274-V302 HydrophobicContact CD1-CG2 4.35Å; F274-V302 HydrophobicContact CE1-CG2 3.4Å; F274-V302 VanDerWaalsContact CE1-CG2 3.4Å; F274-V302 HydrophobicContact CZ-CG2 3.66Å; W279-V302 HydrophobicContact CH2-CG2 3.89Å; W279-V302 HydrophobicContact CZ2-CG2 3.71Å; E299-V302 PolarHBondContact O-N 3.23Å; E299-V302 VanDerWaalsContact O-N 3.17Å; V302-D304 PolarHBondContact O-N 3.06Å; V302-L305 PolarHBondContact O-N 3.25Å; V302-L305 VanDerWaalsContact O-N 3.08Å; V302-L308 HydrophobicContact CG1-CD1 3.83Å
303	M	56.5	Low	69.8	Low	155 Å²	155	61.7 Å²	61.7	76%	0.764	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-24	176	-61	-172.7	82.1	0	0	112.2	E299 A300 L305	E299-M303 PolarHBondContact O-N 2.95Å; A300-M303 PolarHBondContact O-N 2.94Å; M303-L305 PolarHBondContact O-N 3.2Å
304	D	67	Low	72.2	Confident	77 Å²	77	60.5 Å²	60.5	41%	0.412	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.1	179.5	-143.1	51.9	0	0	0	113.6	K286 A300 V302	K286-D304 PolarHBondContact NZ-O 3.47Å; K286-D304 IonicContact NZ-OD2 2.78Å; K286-D304 PolarHBondContact NZ-OD2 2.94Å; A300-D304 PolarHBondContact O-N 2.78Å; V302-D304 PolarHBondContact O-N 3.06Å
305	L	81	Confident	74.3	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	33%	0.327	C	S	.	.			trans	-109.9	67.8	176.4	-62.2	175.6	0	0	0	110.5	W279 F282 I283 V302 M303 W307 L308	W279-L305 HydrophobicContact CH2-CD1 3.87Å; W279-L305 HydrophobicContact CZ3-CD1 4.33Å; F282-L305 HydrophobicContact CE1-CD2 3.94Å; I283-L305 HydrophobicContact CD1-CD1 4.42Å; V302-L305 PolarHBondContact O-N 3.25Å; V302-L305 VanDerWaalsContact O-N 3.08Å; M303-L305 PolarHBondContact O-N 3.2Å; L305-W307 PolarHBondContact O-N 2.84Å; L305-L308 HydrophobicContact CB-CD1 3.66Å; L305-L308 HydrophobicContact CB-CG 3.9Å; L305-L308 HydrophobicContact CD1-CD1 3.99Å; L305-L308 HydrophobicContact CG-CD1 4.46Å; L305-L308 WeakPolarHBondContact O-CB 3.5Å; L305-L308 WeakPolarHBondContact O-CG 3.42Å; L305-L308 PolarHBondContact O-N 3.41Å
306	D	84.9	Confident	76.5	Confident	86 Å²	86	50 Å²	50	46%	0.46	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-49.7	-29.5	-177.2	-61	-34	0	0	0	114.3	L308 S309 L1072	D306-L308 PolarHBondContact O-N 2.84Å; D306-S309 PolarHBondContact O-N 3.03Å; D306-S309 PolarHBondContact O-OG 2.69Å; D306-L1072 HydrophobicContact CB-CD2 4.01Å
307	W	91.1	Very high	78.5	Confident	3 Å²	3	48 Å²	48	1%	0.011	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.9	-17.1	178.4	66.7	-93.6	0	0	0	114	L258 Q262 L265 L305 S309 E310 T311 A1067 L1072 V1073	L258-W307 HydrophobicContact CD2-CE3 4.24Å; L258-W307 HydrophobicContact CD2-CZ3 3.61Å; Q262-W307 HydrophobicContact CB-CH2 3.65Å; Q262-W307 HydrophobicContact CB-CZ2 4.41Å; Q262-W307 HydrophobicContact CB-CZ3 3.82Å; Q262-W307 HydrophobicContact CG-CH2 3.85Å; Q262-W307 HydrophobicContact CG-CZ2 4.14Å; Q262-W307 HydrophobicContact CG-CZ3 4.09Å; L265-W307 HydrophobicContact CB-CH2 4.21Å; L265-W307 HydrophobicContact CB-CZ2 4.36Å; L265-W307 HydrophobicContact CD1-CZ2 4.24Å; L305-W307 PolarHBondContact O-N 2.84Å; W307-S309 VanDerWaalsContact C-N 3.29Å; W307-S309 PolarHBondContact O-N 3.48Å; W307-E310 PolarHBondContact O-N 3.33Å; W307-T311 HydrophobicContact CE3-CG2 4.04Å; W307-T311 HydrophobicContact CZ3-CG2 4.12Å; W307-T311 WeakPolarHBondContact O-CG2 3.37Å; W307-A1067 HydrophobicContact CE3-CB 4.43Å; W307-L1072 HydrophobicContact CB-CB 4.07Å; W307-L1072 HydrophobicContact CB-CD1 4.38Å; W307-V1073 HydrophobicContact CB-CG1 4.03Å; W307-V1073 HydrophobicContact CG-CG1 3.95Å
308	L	89.6	Confident	80.3	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.094	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-65.4	-29.3	179.3	-73.5	172.9	0	0	0	112.9	K266 A269 V302 L305 D306 E310	K266-L308 HydrophobicContact CB-CD2 4.14Å; K266-L308 HydrophobicContact CD-CD2 3.48Å; K266-L308 VanDerWaalsContact CD-CD2 3.48Å; K266-L308 VanDerWaalsContact CE-O 3.3Å; K266-L308 WeakPolarHBondContact CE-O 3.2Å; K266-L308 HydrophobicContact CG-CD2 4.44Å; A269-L308 HydrophobicContact CB-CD1 4.13Å; V302-L308 HydrophobicContact CG1-CD1 3.83Å; L305-L308 HydrophobicContact CB-CD1 3.66Å; L305-L308 HydrophobicContact CB-CG 3.9Å; L305-L308 HydrophobicContact CD1-CD1 3.99Å; L305-L308 HydrophobicContact CG-CD1 4.46Å; L305-L308 WeakPolarHBondContact O-CB 3.5Å; L305-L308 WeakPolarHBondContact O-CG 3.42Å; L305-L308 PolarHBondContact O-N 3.41Å; D306-L308 PolarHBondContact O-N 2.84Å; L308-E310 VanDerWaalsContact C-N 3.31Å
309	S	88.4	Confident	82.2	Confident	89 Å²	89	43.6 Å²	43.6	62%	0.622	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-80.4	-12.8	177.7	58	0	0	0	0	113.4	D306 W307 T311	D306-S309 PolarHBondContact O-N 3.03Å; D306-S309 PolarHBondContact O-OG 2.69Å; W307-S309 VanDerWaalsContact C-N 3.29Å; W307-S309 PolarHBondContact O-N 3.48Å; S309-T311 VanDerWaalsContact C-N 3.33Å
310	E	91.4	Very high	84.3	Confident	51 Å²	51	38.1 Å²	38.1	24%	0.238	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-94.4	7.3	-174.6	-67.1	-74.9	117.3	0	0	112.9	S256 W307 L308 R1066 L1072	S256-E310 WeakPolarHBondContact CB-O 3.49Å; S256-E310 PolarHBondContact OG-O 2.9Å; W307-E310 PolarHBondContact O-N 3.33Å; L308-E310 VanDerWaalsContact C-N 3.31Å; E310-R1066 HydrophobicContact CB-CB 4.28Å; E310-R1066 IonicContact OE1-NH2 2.66Å; E310-R1066 PolarHBondContact OE1-NH2 2.82Å; E310-R1066 VanDerWaalsContact OE1-NH2 3.08Å; E310-R1066 IonicContact OE2-CZ 3.95Å; E310-R1066 IonicContact OE2-NE 2.7Å; E310-R1066 PolarHBondContact OE2-NE 2.56Å; E310-R1066 IonicContact OE2-NH2 3.72Å; E310-R1066 PolarHBondContact OE2-NH2 2.67Å; E310-L1072 HydrophobicContact CB-CD1 4.31Å; E310-L1072 HydrophobicContact CG-CD1 3.69Å
311	T	94.3	Very high	86.2	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	21%	0.214	C	C	.	.			trans	-153.3	158.2	-166.1	-169.7	0	0	0	0	112	S256 L258 K266 W307 S309 A1067	S256-T311 PolarHBondContact O-OG1 2.98Å; L258-T311 HydrophobicContact CD1-CG2 4.48Å; L258-T311 HydrophobicContact CD2-CG2 3.75Å; L258-T311 VanDerWaalsContact CD2-OG1 3.28Å; L258-T311 WeakPolarHBondContact CD2-OG1 3.32Å; L258-T311 HydrophobicContact CG-CG2 4.42Å; L258-T311 VanDerWaalsContact CG-OG1 3.22Å; L258-T311 WeakPolarHBondContact CG-OG1 3.46Å; K266-T311 HydrophobicContact CD-CG2 4.35Å; K266-T311 WeakPolarHBondContact CE-O 3.34Å; W307-T311 HydrophobicContact CE3-CG2 4.04Å; W307-T311 HydrophobicContact CZ3-CG2 4.12Å; W307-T311 WeakPolarHBondContact O-CG2 3.37Å; S309-T311 VanDerWaalsContact C-N 3.33Å; T311-A1067 HydrophobicContact CG2-CB 4.45Å
312	S	93.7	Very high	88	Confident	7 Å²	7	40.4 Å²	40.4	5%	0.049	22%	0.217	C	C	.	.			trans	-137	174.8	173.1	64.7	0	0	0	0	111	H252 L258 D318	H252-S312 PolarHBondContact CE1-OG 3.13Å; H252-S312 PolarHBondContact NE2-OG 3.4Å; L258-S312 VanDerWaalsContact CD1-O 3.3Å; L258-S312 WeakPolarHBondContact CD1-O 3.28Å; S312-D318 WeakPolarHBondContact CB-O 3.5Å
313	L	92.7	Very high	89.8	Confident	36 Å²	36	39.4 Å²	39.4	19%	0.188	21%	0.209	C	C	.	.			trans	-74.2	178.1	161.1	-62.8	176.5	0	0	0	109.7	L258 R263 S315 D318	L258-L313 HydrophobicContact CD1-CD2 4.43Å; R263-L313 HydrophobicContact CG-CD2 3.93Å; L313-S315 PolarHBondContact O-N 3.01Å; L313-D318 HydrophobicContact CB-CB 4.49Å
314	N	93.7	Very high	91.6	Very high	43 Å²	43	33 Å²	33	23%	0.23	18%	0.18	C	C	.	.	S	Bend	trans	-86.9	-2.7	-166.3	-71.2	30.5	0	0	0	114.4	H223 L249 R263	H223-N314 PolarHBondContact NE2-O 3.32Å; L249-N314 HydrophobicContact CD1-CB 3.67Å; R263-N314 PolarHBondContact NH1-OD1 2.92Å; R263-N314 PolarHBondContact NH2-OD1 3.38Å
315	S	93.5	Very high	92.9	Very high	48 Å²	48	38.2 Å²	38.2	34%	0.336	20%	0.199	S	C	.	.	S	Bend	trans	-75.5	148	-176.9	80.3	0	0	0	0	111.2	L313 P317 D318 I319	L313-S315 PolarHBondContact O-N 3.01Å; S315-P317 VanDerWaalsContact C-N 3.34Å; S315-D318 PolarHBondContact O-N 3.44Å; S315-D318 PolarHBondContact OG-N 2.82Å; S315-D318 PolarHBondContact OG-OD2 3.04Å; S315-I319 WeakPolarHBondContact O-CG1 3.45Å; S315-I319 PolarHBondContact O-N 3.11Å
316	L	95.5	Very high	93.6	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-49.7	-48.6	175.5	179.1	65.5	0	0	0	112.2	H223 D318 I319 Y320 D360 M363 I367	H223-L316 HydrophobicContact CB-CD1 3.99Å; H223-L316 PolarHBondContact NE2-N 3.36Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.49Å; L316-I319 PolarHBondContact O-N 2.98Å; L316-Y320 WeakPolarHBondContact O-CB 3.49Å; L316-Y320 PolarHBondContact O-N 3.25Å; L316-D360 HydrophobicContact CD2-CB 3.9Å; L316-M363 HydrophobicContact CD1-CB 4.44Å; L316-M363 HydrophobicContact CD2-CB 4.49Å; L316-M363 HydrophobicContact CD2-CE 3.83Å; L316-M363 HydrophobicContact CG-CB 4.49Å; L316-M363 HydrophobicContact CG-CE 4.2Å; L316-I367 HydrophobicContact CD1-CD1 3.45Å; L316-I367 VanDerWaalsContact CD1-CD1 3.45Å
317	P	94.8	Very high	94	Very high	12 Å²	12	45.7 Å²	45.7	8%	0.078	23%	0.229	C	C	.	.	H	α-helix	trans	-53.3	-42.8	172.3	-32.3	36.6	0	0	0	115.5	S315 R321 P328 Q330	S315-P317 VanDerWaalsContact C-N 3.34Å; P317-R321 WeakPolarHBondContact O-CG 3.32Å; P317-R321 PolarHBondContact O-N 2.85Å; P317-P328 HydrophobicContact CB-CB 4.1Å; P317-P328 HydrophobicContact CB-CG 3.91Å; P317-Q330 HydrophobicContact CG-CG 4.36Å
318	D	94.2	Very high	94.1	Very high	39 Å²	39	46.7 Å²	46.7	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-72.2	-37.7	-175.7	-59.9	-34.4	0	0	0	111.1	S312 L313 S315 L316 R321 L322	S312-D318 WeakPolarHBondContact CB-O 3.5Å; L313-D318 HydrophobicContact CB-CB 4.49Å; S315-D318 PolarHBondContact O-N 3.44Å; S315-D318 PolarHBondContact OG-N 2.82Å; S315-D318 PolarHBondContact OG-OD2 3.04Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.49Å; D318-R321 IonicContact OD1-CZ 2.74Å; D318-R321 IonicContact OD1-NH1 3.94Å; D318-R321 PolarHBondContact OD1-NH1 3.09Å; D318-R321 IonicContact OD1-NH2 3.97Å; D318-L322 PolarHBondContact O-N 2.83Å; D318-L322 VanDerWaalsContact O-N 3.11Å
319	I	96.2	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.9	-39.5	176.9	-68.1	167.8	0	0	0	110.6	L249 H252 S315 L316 L322 Y323 I367	L249-I319 HydrophobicContact CD1-CD1 4.09Å; H252-I319 HydrophobicContact CB-CD1 4Å; H252-I319 HydrophobicContact CB-CG1 4.39Å; H252-I319 HydrophobicContact CB-CG2 4.38Å; S315-I319 WeakPolarHBondContact O-CG1 3.45Å; S315-I319 PolarHBondContact O-N 3.11Å; L316-I319 PolarHBondContact O-N 2.98Å; I319-L322 PolarHBondContact O-N 2.94Å; I319-Y323 HydrophobicContact CG2-CD2 3.58Å; I319-Y323 HydrophobicContact CG2-CE2 3.77Å; I319-Y323 PolarHBondContact O-N 3.37Å; I319-I367 HydrophobicContact CB-CD1 4.47Å; I319-I367 HydrophobicContact CG2-CD1 3.95Å; I319-I367 HydrophobicContact CG2-CG1 4.33Å; I319-I367 HydrophobicContact CG2-CG2 3.96Å
320	Y	97.3	Very high	94	Very high	12 Å²	12	47 Å²	47	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-48.3	173.8	-172.6	-104.5	0	0	0	111.2	L316 L322 C324 K326 P328 M363 E366 I367	L316-Y320 WeakPolarHBondContact O-CB 3.49Å; L316-Y320 PolarHBondContact O-N 3.25Å; Y320-L322 VanDerWaalsContact C-N 3.29Å; Y320-L322 PolarHBondContact O-N 2.81Å; Y320-C324 HydrophobicContact CD2-CB 3.95Å; Y320-C324 HydrophobicContact CE2-CB 3.75Å; Y320-C324 HydrophobicContact CG-CB 4.38Å; Y320-C324 WeakPolarHBondContact O-CA 3.42Å; Y320-C324 VanDerWaalsContact O-CB 3.25Å; Y320-C324 WeakPolarHBondContact O-CB 3.26Å; Y320-C324 PolarHBondContact O-N 3.37Å; Y320-K326 HydrophobicContact CD1-CB 4.44Å; Y320-K326 HydrophobicContact CE1-CB 3.6Å; Y320-K326 HydrophobicContact CE1-CD 4.37Å; Y320-K326 WeakPolarHBondContact OH-CD 3.43Å; Y320-P328 HydrophobicContact CD1-CB 4.11Å; Y320-M363 HydrophobicContact CD1-CG 4.42Å; Y320-M363 HydrophobicContact CD1-SD 4.17Å; Y320-M363 HydrophobicContact CD2-CB 3.72Å; Y320-M363 HydrophobicContact CD2-CG 3.7Å; Y320-M363 HydrophobicContact CD2-SD 4.27Å; Y320-M363 HydrophobicContact CE1-CG 4.44Å; Y320-M363 HydrophobicContact CE2-CB 4.05Å; Y320-M363 HydrophobicContact CE2-CG 3.77Å; Y320-M363 HydrophobicContact CG-CB 4.34Å; Y320-M363 HydrophobicContact CG-CG 4.05Å; Y320-M363 HydrophobicContact CG-SD 4.01Å; Y320-E366 HydrophobicContact CE2-CB 4Å; Y320-E366 VanDerWaalsContact CE2-OE2 3.27Å; Y320-E366 WeakPolarHBondContact CE2-OE2 3.47Å; Y320-E366 PolarHBondContact OH-OE2 3Å; Y320-I367 HydrophobicContact CD2-CD1 4.2Å; Y320-I367 HydrophobicContact CD2-CG1 4.05Å
321	R	96.2	Very high	93.6	Very high	79 Å²	79	48.4 Å²	48.4	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-57.8	-41.2	174.3	-77.4	-170.3	-127.9	93.9	12.8	112.5	P317 D318 K325 K326 E327	P317-R321 WeakPolarHBondContact O-CG 3.32Å; P317-R321 PolarHBondContact O-N 2.85Å; D318-R321 IonicContact OD1-CZ 2.74Å; D318-R321 IonicContact OD1-NH1 3.94Å; D318-R321 PolarHBondContact OD1-NH1 3.09Å; D318-R321 IonicContact OD1-NH2 3.97Å; R321-K325 VanDerWaalsContact O-CA 3.29Å; R321-K325 WeakPolarHBondContact O-CA 3.14Å; R321-K325 PolarHBondContact O-N 3.04Å; R321-K326 WeakPolarHBondContact CG-O 3.18Å; R321-E327 WeakPolarHBondContact CD-OE2 3.43Å; R321-E327 IonicContact NE-OE2 3.17Å; R321-E327 PolarHBondContact NE-OE2 3.23Å
322	L	95.9	Very high	92.9	Very high	32 Å²	32	55 Å²	55	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-53.3	-178.4	179.1	66.7	0	0	0	112.7	D318 I319 Y320	D318-L322 PolarHBondContact O-N 2.83Å; D318-L322 VanDerWaalsContact O-N 3.11Å; I319-L322 PolarHBondContact O-N 2.94Å; Y320-L322 VanDerWaalsContact C-N 3.29Å; Y320-L322 PolarHBondContact O-N 2.81Å
323	Y	97	Very high	92.5	Very high	16 Å²	16	61.8 Å²	61.8	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-88.7	-40.6	-171.1	-67.7	-62.5	0	0	0	113.1	H252 I319 I367 L371 I374	H252-Y323 HydrophobicContact CB-CE2 4.11Å; H252-Y323 AromaticContact ND1-CE2 3.35Å; H252-Y323 VanDerWaalsContact ND1-CE2 3.35Å; H252-Y323 WeakPolarHBondContact ND1-CE2 3.36Å; H252-Y323 AromaticContact ND1-CZ 3.66Å; H252-Y323 PolarHBondContact ND1-OH 2.85Å; I319-Y323 HydrophobicContact CG2-CD2 3.58Å; I319-Y323 HydrophobicContact CG2-CE2 3.77Å; I319-Y323 PolarHBondContact O-N 3.37Å; Y323-I367 HydrophobicContact CD2-CG2 4.39Å; Y323-L371 HydrophobicContact CE1-CD1 3.95Å; Y323-L371 HydrophobicContact CE2-CD1 3.87Å; Y323-L371 HydrophobicContact CE2-CD2 4.13Å; Y323-L371 HydrophobicContact CE2-CG 4.49Å; Y323-I374 HydrophobicContact CD1-CD1 4.39Å; Y323-I374 HydrophobicContact CE1-CD1 4.38Å
324	C	96	Very high	92.2	Very high	21 Å²	21	61.8 Å²	61.8	14%	0.142	30%	0.303	C	S	.	.	H	α-helix	trans	-88	-14.3	-177.4	-54.4	0	0	0	0	112.4	Y320 K326	Y320-C324 HydrophobicContact CD2-CB 3.95Å; Y320-C324 HydrophobicContact CE2-CB 3.75Å; Y320-C324 HydrophobicContact CG-CB 4.38Å; Y320-C324 WeakPolarHBondContact O-CA 3.42Å; Y320-C324 VanDerWaalsContact O-CB 3.25Å; Y320-C324 WeakPolarHBondContact O-CB 3.26Å; Y320-C324 PolarHBondContact O-N 3.37Å; C324-K326 HydrophobicContact CB-CD 4.44Å; C324-K326 WeakPolarHBondContact O-CG 3.38Å; C324-K326 PolarHBondContact O-N 3.29Å
325	K	94.7	Very high	91.8	Very high	187 Å²	187	65.7 Å²	65.7	81%	0.813	32%	0.315	S	S	*	.			trans	54.6	36.8	-179.6	-57.1	-177	-179.9	-179.6	0	113.3	R321	R321-K325 VanDerWaalsContact O-CA 3.29Å; R321-K325 WeakPolarHBondContact O-CA 3.14Å; R321-K325 PolarHBondContact O-N 3.04Å
326	K	94	Very high	91.7	Very high	100 Å²	100	66 Å²	66	44%	0.435	32%	0.317	S	S	.	.	S	Bend	trans	-127.7	152	179.4	-68.4	167.7	-176.2	178.2	0	109.3	Y320 R321 C324 E366	Y320-K326 HydrophobicContact CD1-CB 4.44Å; Y320-K326 HydrophobicContact CE1-CB 3.6Å; Y320-K326 HydrophobicContact CE1-CD 4.37Å; Y320-K326 WeakPolarHBondContact OH-CD 3.43Å; R321-K326 WeakPolarHBondContact CG-O 3.18Å; C324-K326 HydrophobicContact CB-CD 4.44Å; C324-K326 WeakPolarHBondContact O-CG 3.38Å; C324-K326 PolarHBondContact O-N 3.29Å; K326-E366 VanDerWaalsContact NZ-CD 3.3Å; K326-E366 IonicContact NZ-OE1 3.08Å; K326-E366 PolarHBondContact NZ-OE1 3.13Å; K326-E366 VanDerWaalsContact NZ-OE1 3.08Å; K326-E366 IonicContact NZ-OE2 2.79Å; K326-E366 PolarHBondContact NZ-OE2 3.05Å
327	E	93.8	Very high	91.5	Very high	147 Å²	147	66.5 Å²	66.5	69%	0.687	32%	0.319	S	S	*	.			trans	-71	140.2	167.8	-74.4	-56.3	142.2	0	0	110.4	R321	R321-E327 WeakPolarHBondContact CD-OE2 3.43Å; R321-E327 IonicContact NE-OE2 3.17Å; R321-E327 PolarHBondContact NE-OE2 3.23Å
328	P	92.9	Very high	91.4	Very high	24 Å²	24	66.1 Å²	66.1	16%	0.156	32%	0.316	C	S	.	.			trans	-72.9	126.6	-175.9	28.2	-28.5	0	0	0	109.9	P317 Y320 Q330 M363	P317-P328 HydrophobicContact CB-CB 4.1Å; P317-P328 HydrophobicContact CB-CG 3.91Å; Y320-P328 HydrophobicContact CD1-CB 4.11Å; P328-Q330 VanDerWaalsContact C-N 3.27Å; P328-Q330 HydrophobicContact CB-CG 4.25Å; P328-Q330 PolarHBondContact O-N 3.29Å; P328-M363 HydrophobicContact CB-SD 3.95Å
329	P	91.2	Very high	91.1	Very high	88 Å²	88	68.9 Å²	68.9	57%	0.571	33%	0.328	S	S	*	.			trans	-75.5	-9.9	-176.4	27.7	-34.7	0	0	0	114.6	V359 M363	P329-V359 HydrophobicContact CB-CG1 4.35Å; P329-V359 HydrophobicContact CG-CG1 3.72Å; P329-M363 HydrophobicContact CG-CG 4.48Å; P329-M363 HydrophobicContact CG-SD 4.44Å
330	Q	85.4	Confident	90.8	Very high	27 Å²	27	72 Å²	72	13%	0.126	35%	0.35	C	S	.	.			trans	-67.5	141.1	-176.7	55.2	159.8	100	0	0	113.9	P317 P328 Y356 V359 D360 M363	P317-Q330 HydrophobicContact CG-CG 4.36Å; P328-Q330 VanDerWaalsContact C-N 3.27Å; P328-Q330 HydrophobicContact CB-CG 4.25Å; P328-Q330 PolarHBondContact O-N 3.29Å; Q330-Y356 HydrophobicContact CB-CE2 4.18Å; Q330-V359 HydrophobicContact CB-CG1 4.11Å; Q330-D360 PolarHBondContact OE1-OD1 2.85Å; Q330-M363 HydrophobicContact CB-CE 3.99Å; Q330-M363 HydrophobicContact CG-CE 3.8Å; Q330-M363 HydrophobicContact CG-SD 4.39Å; Q330-M363 VanDerWaalsContact OE1-CE 3.32Å
331	D	82.1	Confident	90.4	Very high	79 Å²	79	72 Å²	72	42%	0.422	35%	0.353	S	S	.	.			trans	-90.3	120.5	169.9	-172.2	-9.4	0	0	0	111.1	Q333 L334 Y356	D331-Q333 VanDerWaalsContact C-N 3.28Å; D331-Q333 PolarHBondContact O-N 3.43Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.28Å; D331-Q333 PolarHBondContact OD1-N 3.47Å; D331-L334 HydrophobicContact CB-CD1 4.26Å; D331-L334 HydrophobicContact CB-CG 4.41Å; D331-Y356 WeakPolarHBondContact O-CD2 3.31Å; D331-Y356 VanDerWaalsContact O-CE2 3.29Å; D331-Y356 WeakPolarHBondContact O-CE2 3.43Å
332	K	79.4	Confident	90.1	Very high	145 Å²	145	71.3 Å²	71.3	63%	0.63	36%	0.358	S	S	*	.	H	α-helix	trans	-71.1	-19.9	180	-68.5	-178.5	-179.9	176.2	0	113.8
333	Q	85.2	Confident	89.7	Confident	149 Å²	149	71.7 Å²	71.7	70%	0.696	36%	0.36	S	S	*	.	H	α-helix	trans	-71	-37.5	-177.2	-63.7	-171.6	-5.8	0	0	111.5	D331 R335 S336	D331-Q333 VanDerWaalsContact C-N 3.28Å; D331-Q333 PolarHBondContact O-N 3.43Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.28Å; D331-Q333 PolarHBondContact OD1-N 3.47Å; Q333-R335 VanDerWaalsContact C-N 3.33Å; Q333-R335 PolarHBondContact O-N 2.97Å; Q333-S336 WeakPolarHBondContact O-CB 3.21Å; Q333-S336 PolarHBondContact O-N 2.78Å; Q333-S336 VanDerWaalsContact O-N 3.15Å; Q333-S336 PolarHBondContact O-OG 3.16Å
334	L	86.9	Confident	89.4	Confident	35 Å²	35	75 Å²	75	18%	0.183	38%	0.376	C	S	.	.	H	α-helix	trans	-60.5	-39.2	-178.9	-68.5	176.7	0	0	0	112.9	D331 S336 I337 E352 L353 Y356	D331-L334 HydrophobicContact CB-CD1 4.26Å; D331-L334 HydrophobicContact CB-CG 4.41Å; L334-S336 PolarHBondContact O-N 3.15Å; L334-S336 VanDerWaalsContact O-N 3.14Å; L334-I337 WeakPolarHBondContact O-CB 3.13Å; L334-I337 WeakPolarHBondContact O-CG1 3.35Å; L334-I337 PolarHBondContact O-N 3.1Å; L334-I337 VanDerWaalsContact O-N 3.12Å; L334-E352 HydrophobicContact CD1-CB 4.24Å; L334-E352 HydrophobicContact CD2-CB 4.15Å; L334-L353 HydrophobicContact CB-CD2 4.12Å; L334-Y356 HydrophobicContact CB-CD2 4.18Å; L334-Y356 HydrophobicContact CB-CG 4.39Å; L334-Y356 HydrophobicContact CD1-CD2 4.48Å
335	R	85.7	Confident	89.2	Confident	126 Å²	126	77 Å²	77	48%	0.475	39%	0.385	S	S	.	.	H	α-helix	trans	-55.1	-32.9	176.8	179.5	-178.7	167.3	143.8	15	113.6	Q333 I337 F338 E339 Y356	Q333-R335 VanDerWaalsContact C-N 3.33Å; Q333-R335 PolarHBondContact O-N 2.97Å; R335-I337 PolarHBondContact O-N 2.9Å; R335-I337 VanDerWaalsContact O-N 3.14Å; R335-F338 PolarHBondContact O-N 3.35Å; R335-F338 VanDerWaalsContact O-N 3.11Å; R335-E339 IonicContact CZ-OE1 3.6Å; R335-E339 IonicContact NE-OE1 3.87Å; R335-E339 PolarHBondContact NE-OE1 3.03Å; R335-E339 IonicContact NH2-OE1 2.71Å; R335-E339 PolarHBondContact O-N 3.36Å; R335-Y356 HydrophobicContact CB-CE2 4.5Å
336	S	90.5	Very high	89	Confident	55 Å²	55	68.1 Å²	68.1	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-22	-177.7	70.4	0	0	0	0	113.6	Q333 L334 E339 S340	Q333-S336 WeakPolarHBondContact O-CB 3.21Å; Q333-S336 PolarHBondContact O-N 2.78Å; Q333-S336 VanDerWaalsContact O-N 3.15Å; Q333-S336 PolarHBondContact O-OG 3.16Å; L334-S336 PolarHBondContact O-N 3.15Å; L334-S336 VanDerWaalsContact O-N 3.14Å; S336-E339 PolarHBondContact O-N 3.21Å; S336-S340 PolarHBondContact O-N 2.65Å; S336-S340 PolarHBondContact O-OG 3.46Å
337	I	92.2	Very high	88.9	Confident	24 Å²	24	66 Å²	66	12%	0.123	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-42.6	175.4	-61.4	173.6	0	0	0	110.4	L162 L334 R335 E339 G341 D345 V346 N349 L353	L162-I337 WeakPolarHBondContact CD1-O 3.44Å; L334-I337 WeakPolarHBondContact O-CB 3.13Å; L334-I337 WeakPolarHBondContact O-CG1 3.35Å; L334-I337 PolarHBondContact O-N 3.1Å; L334-I337 VanDerWaalsContact O-N 3.12Å; R335-I337 PolarHBondContact O-N 2.9Å; R335-I337 VanDerWaalsContact O-N 3.14Å; I337-E339 VanDerWaalsContact C-N 3.35Å; I337-E339 PolarHBondContact O-N 3.26Å; I337-G341 WeakPolarHBondContact O-CA 3.21Å; I337-G341 PolarHBondContact O-N 3.43Å; I337-D345 HydrophobicContact CG2-CB 3.83Å; I337-V346 HydrophobicContact CG2-CG2 3.96Å; I337-N349 HydrophobicContact CD1-CB 4.23Å; I337-L353 HydrophobicContact CD1-CD2 4.2Å; I337-L353 HydrophobicContact CG2-CD1 4.26Å
338	F	91.9	Very high	88.9	Confident	3 Å²	3	63.7 Å²	63.7	1%	0.013	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-31.1	177.5	-63.1	-59	0	0	0	113.1	E160 L162 V163 M171 R335 V346 L353	E160-F338 HydrophobicContact CB-CD1 3.99Å; E160-F338 HydrophobicContact CB-CD2 3.98Å; E160-F338 HydrophobicContact CB-CE1 3.75Å; E160-F338 HydrophobicContact CB-CE2 3.73Å; E160-F338 HydrophobicContact CB-CG 4.1Å; E160-F338 HydrophobicContact CB-CZ 3.6Å; E160-F338 HydrophobicContact CG-CD2 3.85Å; E160-F338 HydrophobicContact CG-CE1 4.46Å; E160-F338 HydrophobicContact CG-CE2 3.51Å; E160-F338 HydrophobicContact CG-CG 4.45Å; E160-F338 HydrophobicContact CG-CZ 3.85Å; L162-F338 WeakPolarHBondContact CA-O 3.45Å; V163-F338 PolarHBondContact N-O 3.03Å; M171-F338 HydrophobicContact CE-CE1 4.48Å; M171-F338 HydrophobicContact CE-CZ 4.47Å; M171-F338 HydrophobicContact CG-CE1 4.36Å; M171-F338 HydrophobicContact CG-CZ 4.27Å; M171-F338 HydrophobicContact SD-CE1 4.17Å; M171-F338 HydrophobicContact SD-CZ 3.73Å; R335-F338 PolarHBondContact O-N 3.35Å; R335-F338 VanDerWaalsContact O-N 3.11Å; F338-V346 HydrophobicContact CD1-CG2 4.36Å; F338-V346 HydrophobicContact CE1-CG1 4.45Å; F338-V346 HydrophobicContact CE1-CG2 4.2Å; F338-L353 HydrophobicContact CE1-CD1 4.22Å; F338-L353 HydrophobicContact CE2-CD2 3.73Å; F338-L353 HydrophobicContact CZ-CB 4.01Å; F338-L353 HydrophobicContact CZ-CD1 3.98Å; F338-L353 HydrophobicContact CZ-CD2 3.83Å; F338-L353 HydrophobicContact CZ-CG 4.16Å
339	E	89.3	Confident	88.9	Confident	98 Å²	98	64.9 Å²	64.9	46%	0.458	34%	0.337	S	S	.	.	H	α-helix	trans	-79.2	-35.4	-179.2	-64.6	-179	-179.7	0	0	112.5	R335 S336 I337	R335-E339 IonicContact CZ-OE1 3.6Å; R335-E339 IonicContact NE-OE1 3.87Å; R335-E339 PolarHBondContact NE-OE1 3.03Å; R335-E339 IonicContact NH2-OE1 2.71Å; R335-E339 PolarHBondContact O-N 3.36Å; S336-E339 PolarHBondContact O-N 3.21Å; I337-E339 VanDerWaalsContact C-N 3.35Å; I337-E339 PolarHBondContact O-N 3.26Å
340	S	89.4	Confident	89	Confident	65 Å²	65	61.6 Å²	61.6	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-139.7	-8.5	-166.7	69.6	0	0	0	0	116.4	K164 S336	K164-S340 WeakPolarHBondContact CD-O 3.48Å; K164-S340 WeakPolarHBondContact CE-O 3.5Å; K164-S340 PolarHBondContact NZ-O 3.34Å; S336-S340 PolarHBondContact O-N 2.65Å; S336-S340 PolarHBondContact O-OG 3.46Å
341	G	89.6	Confident	89.5	Confident	11 Å²	11	63.2 Å²	63.2	11%	0.113	32%	0.321	C	S	.	.			trans	-81.1	-168.4	177.7	0	0	0	0	0	113.7	I337	I337-G341 WeakPolarHBondContact O-CA 3.21Å; I337-G341 PolarHBondContact O-N 3.43Å
342	T	90	Very high	90.1	Very high	65 Å²	65	64 Å²	64	40%	0.399	32%	0.322	S	S	.	.			trans	-117.6	170.1	179.5	67.7	0	0	0	0	111.2	E344 D345 V346	T342-E344 PolarHBondContact O-N 3.04Å; T342-E344 PolarHBondContact OG1-N 3.39Å; T342-D345 WeakPolarHBondContact CB-OD2 3.47Å; T342-D345 PolarHBondContact N-OD2 3.49Å; T342-D345 WeakPolarHBondContact O-CB 3.39Å; T342-D345 PolarHBondContact O-N 3.31Å; T342-D345 VanDerWaalsContact OG1-CG 3.24Å; T342-D345 PolarHBondContact OG1-N 3.13Å; T342-D345 PolarHBondContact OG1-OD2 3.25Å; T342-V346 PolarHBondContact O-N 3.18Å
343	I	87.5	Confident	90.8	Very high	40 Å²	40	57.1 Å²	57.1	21%	0.205	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-29	176.8	-161.5	166.3	0	0	0	112.5	L162 R187 L188 V346 R347	L162-I343 HydrophobicContact CD2-CB 4.11Å; R187-I343 HydrophobicContact CB-CD1 3.92Å; R187-I343 VanDerWaalsContact O-CD1 3.31Å; R187-I343 WeakPolarHBondContact O-CD1 3.48Å; L188-I343 HydrophobicContact CD2-CD1 4.37Å; L188-I343 HydrophobicContact CD2-CG1 3.81Å; I343-V346 PolarHBondContact O-N 2.92Å; I343-R347 WeakPolarHBondContact O-CG 3.43Å; I343-R347 PolarHBondContact O-N 3.29Å
344	E	88.7	Confident	91.3	Very high	85 Å²	85	50 Å²	50	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-74.1	-34.3	179.1	-162.6	58.4	-152.1	0	0	111.6	T342 V346 R347 T348	T342-E344 PolarHBondContact O-N 3.04Å; T342-E344 PolarHBondContact OG1-N 3.39Å; E344-V346 VanDerWaalsContact C-N 3.26Å; E344-V346 PolarHBondContact O-N 2.8Å; E344-R347 PolarHBondContact O-N 2.95Å; E344-R347 WeakPolarHBondContact OE2-CD 3.49Å; E344-R347 IonicContact OE2-CZ 3.57Å; E344-R347 IonicContact OE2-NH1 2.71Å; E344-R347 PolarHBondContact OE2-NH1 3.5Å; E344-T348 WeakPolarHBondContact O-CB 3.35Å; E344-T348 PolarHBondContact O-N 3.2Å; E344-T348 PolarHBondContact O-OG1 3.31Å
345	D	92.1	Very high	91.7	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-38.4	172	-58.2	-48.7	0	0	0	110.7	I337 T342 T348 N349	I337-D345 HydrophobicContact CG2-CB 3.83Å; T342-D345 WeakPolarHBondContact CB-OD2 3.47Å; T342-D345 PolarHBondContact N-OD2 3.49Å; T342-D345 WeakPolarHBondContact O-CB 3.39Å; T342-D345 PolarHBondContact O-N 3.31Å; T342-D345 VanDerWaalsContact OG1-CG 3.24Å; T342-D345 PolarHBondContact OG1-N 3.13Å; T342-D345 PolarHBondContact OG1-OD2 3.25Å; D345-T348 PolarHBondContact O-N 3.37Å; D345-N349 PolarHBondContact O-N 3.18Å; D345-N349 PolarHBondContact O-ND2 3.35Å
346	V	92	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-41.4	175.6	178.1	0	0	0	0	111.6	L162 T170 M171 L188 I337 F338 T342 I343 E344 N349 F350 L353	L162-V346 HydrophobicContact CD1-CG2 4.34Å; T170-V346 HydrophobicContact CG2-CG1 4.12Å; M171-V346 HydrophobicContact CE-CG1 3.56Å; L188-V346 HydrophobicContact CD1-CG1 4.37Å; L188-V346 HydrophobicContact CD2-CB 4.19Å; L188-V346 HydrophobicContact CD2-CG1 3.72Å; I337-V346 HydrophobicContact CG2-CG2 3.96Å; F338-V346 HydrophobicContact CD1-CG2 4.36Å; F338-V346 HydrophobicContact CE1-CG1 4.45Å; F338-V346 HydrophobicContact CE1-CG2 4.2Å; T342-V346 PolarHBondContact O-N 3.18Å; I343-V346 PolarHBondContact O-N 2.92Å; E344-V346 VanDerWaalsContact C-N 3.26Å; E344-V346 PolarHBondContact O-N 2.8Å; V346-N349 CarbonylContact O-C 3.48Å; V346-F350 VanDerWaalsContact O-CA 3.29Å; V346-F350 WeakPolarHBondContact O-CA 3.48Å; V346-F350 PolarHBondContact O-N 2.64Å; V346-F350 VanDerWaalsContact O-N 3.13Å; V346-L353 HydrophobicContact CB-CD1 4.13Å; V346-L353 HydrophobicContact CG1-CD1 3.91Å; V346-L353 HydrophobicContact CG2-CD1 4.18Å
347	R	91.2	Very high	92.3	Very high	56 Å²	56	42.6 Å²	42.6	21%	0.211	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-40	175.3	-71.9	177	-178.4	142.6	1	112.1	R187 L188 Y191 I343 E344 F350	R187-R347 PolarHBondContact O-NH2 3.29Å; L188-R347 HydrophobicContact CD2-CG 4.14Å; L188-R347 PolarHBondContact O-NE 3.14Å; L188-R347 PolarHBondContact O-NH2 2.86Å; Y191-R347 VanDerWaalsContact CE2-NH1 3.33Å; I343-R347 WeakPolarHBondContact O-CG 3.43Å; I343-R347 PolarHBondContact O-N 3.29Å; E344-R347 PolarHBondContact O-N 2.95Å; E344-R347 WeakPolarHBondContact OE2-CD 3.49Å; E344-R347 IonicContact OE2-CZ 3.57Å; E344-R347 IonicContact OE2-NH1 2.71Å; E344-R347 PolarHBondContact OE2-NH1 3.5Å; R347-F350 WeakPolarHBondContact O-CB 3.38Å; R347-F350 PolarHBondContact O-N 3.13Å
348	T	92.9	Very high	92.5	Very high	98 Å²	98	41.4 Å²	41.4	60%	0.601	22%	0.218	S	C	*	.	H	α-helix	trans	-66.7	-40.8	-179.1	-56.6	0	0	0	0	111.5	E344 D345	E344-T348 WeakPolarHBondContact O-CB 3.35Å; E344-T348 PolarHBondContact O-N 3.2Å; E344-T348 PolarHBondContact O-OG1 3.31Å; D345-T348 PolarHBondContact O-N 3.37Å
349	N	93.7	Very high	92.7	Very high	49 Å²	49	42.8 Å²	42.8	26%	0.262	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	29.2	-179	-58.2	-85.6	0	0	0	112.2	I337 D345 V346 Q351 E352 L353	I337-N349 HydrophobicContact CD1-CB 4.23Å; D345-N349 PolarHBondContact O-N 3.18Å; D345-N349 PolarHBondContact O-ND2 3.35Å; V346-N349 CarbonylContact O-C 3.48Å; N349-Q351 VanDerWaalsContact C-N 3.34Å; N349-Q351 PolarHBondContact O-N 2.79Å; N349-E352 VanDerWaalsContact C-OE2 3.26Å; N349-E352 WeakPolarHBondContact CA-OE2 3.31Å; N349-E352 PolarHBondContact O-N 2.98Å; N349-L353 HydrophobicContact CB-CD1 4.17Å; N349-L353 HydrophobicContact CB-CG 4.12Å; N349-L353 WeakPolarHBondContact O-CB 3.07Å; N349-L353 VanDerWaalsContact O-CG 3.22Å; N349-L353 WeakPolarHBondContact O-CG 3.44Å; N349-L353 PolarHBondContact O-N 3.3Å
350	F	93.6	Very high	93	Very high	19 Å²	19	38.7 Å²	38.7	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-45.1	-168.7	-178.6	-86.8	0	0	0	112.7	W130 S132 T184 L188 V346 R347 F354	W130-F350 HydrophobicContact CB-CE1 4.14Å; S132-F350 VanDerWaalsContact CA-CZ 3.5Å; T184-F350 HydrophobicContact CG2-CE2 3.97Å; T184-F350 HydrophobicContact CG2-CZ 4.34Å; L188-F350 HydrophobicContact CD1-CE2 4.41Å; V346-F350 VanDerWaalsContact O-CA 3.29Å; V346-F350 WeakPolarHBondContact O-CA 3.48Å; V346-F350 PolarHBondContact O-N 2.64Å; V346-F350 VanDerWaalsContact O-N 3.13Å; R347-F350 WeakPolarHBondContact O-CB 3.38Å; R347-F350 PolarHBondContact O-N 3.13Å; F350-F354 HydrophobicContact CD1-CD2 4.05Å; F350-F354 HydrophobicContact CD1-CE2 4.5Å; F350-F354 HydrophobicContact CD2-CD2 4.25Å; F350-F354 HydrophobicContact CD2-CE2 4.12Å; F350-F354 AromaticContact CE1-CD2 3.63Å; F350-F354 HydrophobicContact CE1-CD2 3.63Å; F350-F354 AromaticContact CE1-CE2 3.82Å; F350-F354 HydrophobicContact CE1-CE2 3.82Å; F350-F354 AromaticContact CE2-CD2 3.88Å; F350-F354 HydrophobicContact CE2-CD2 3.88Å; F350-F354 AromaticContact CE2-CE2 3.39Å; F350-F354 HydrophobicContact CE2-CE2 3.39Å; F350-F354 HydrophobicContact CE2-CZ 4.49Å; F350-F354 HydrophobicContact CG-CD2 4.33Å; F350-F354 AromaticContact CZ-CD2 3.52Å; F350-F354 HydrophobicContact CZ-CD2 3.52Å; F350-F354 AromaticContact CZ-CE2 3.19Å; F350-F354 HydrophobicContact CZ-CE2 3.19Å; F350-F354 HydrophobicContact CZ-CZ 4.16Å; F350-F354 WeakPolarHBondContact O-CD2 3.39Å; F350-F354 PolarHBondContact O-N 3.03Å; F350-F354 VanDerWaalsContact O-N 3.12Å
351	Q	95	Very high	93.4	Very high	62 Å²	62	35.6 Å²	35.6	29%	0.29	19%	0.186	S	C	.	.	H	α-helix	trans	-71.1	-42.5	-177.3	-65.1	-63	-36.7	0	0	111.7	W130 N349 L353 N355	W130-Q351 PolarHBondContact O-NE2 2.82Å; N349-Q351 VanDerWaalsContact C-N 3.34Å; N349-Q351 PolarHBondContact O-N 2.79Å; Q351-L353 VanDerWaalsContact C-N 3.35Å; Q351-N355 WeakPolarHBondContact O-CB 3.39Å; Q351-N355 PolarHBondContact O-N 3.29Å; Q351-N355 PolarHBondContact O-ND2 3.04Å
352	E	94.5	Very high	93.7	Very high	95 Å²	95	37.6 Å²	37.6	44%	0.444	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-41	178.3	-63.5	83	179.4	0	0	111.4	L334 N349 N355 Y356	L334-E352 HydrophobicContact CD1-CB 4.24Å; L334-E352 HydrophobicContact CD2-CB 4.15Å; N349-E352 VanDerWaalsContact C-OE2 3.26Å; N349-E352 WeakPolarHBondContact CA-OE2 3.31Å; N349-E352 PolarHBondContact O-N 2.98Å; E352-N355 PolarHBondContact O-N 3.43Å; E352-Y356 WeakPolarHBondContact O-CB 3.29Å; E352-Y356 PolarHBondContact O-N 3.27Å
353	L	95.2	Very high	94	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.5	-42.6	179.4	-69.7	176.3	0	0	0	112.5	M171 L334 I337 F338 V346 N349 Q351 N355 Y356 C357	M171-L353 HydrophobicContact CE-CB 4.3Å; M171-L353 HydrophobicContact SD-CB 4.1Å; L334-L353 HydrophobicContact CB-CD2 4.12Å; I337-L353 HydrophobicContact CD1-CD2 4.2Å; I337-L353 HydrophobicContact CG2-CD1 4.26Å; F338-L353 HydrophobicContact CE1-CD1 4.22Å; F338-L353 HydrophobicContact CE2-CD2 3.73Å; F338-L353 HydrophobicContact CZ-CB 4.01Å; F338-L353 HydrophobicContact CZ-CD1 3.98Å; F338-L353 HydrophobicContact CZ-CD2 3.83Å; F338-L353 HydrophobicContact CZ-CG 4.16Å; V346-L353 HydrophobicContact CB-CD1 4.13Å; V346-L353 HydrophobicContact CG1-CD1 3.91Å; V346-L353 HydrophobicContact CG2-CD1 4.18Å; N349-L353 HydrophobicContact CB-CD1 4.17Å; N349-L353 HydrophobicContact CB-CG 4.12Å; N349-L353 WeakPolarHBondContact O-CB 3.07Å; N349-L353 VanDerWaalsContact O-CG 3.22Å; N349-L353 WeakPolarHBondContact O-CG 3.44Å; N349-L353 PolarHBondContact O-N 3.3Å; Q351-L353 VanDerWaalsContact C-N 3.35Å; L353-N355 VanDerWaalsContact C-N 3.33Å; L353-N355 PolarHBondContact O-N 3.22Å; L353-Y356 WeakPolarHBondContact O-CB 3.35Å; L353-Y356 PolarHBondContact O-N 3.16Å; L353-C357 PolarHBondContact O-N 2.96Å; L353-C357 PolarHBondContact O-SG 3.45Å
354	F	95.2	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-37.7	173.9	-95.7	-77.6	0	0	0	112.5	W130 M171 V173 F350 Y356 C357 A358	W130-F354 HydrophobicContact CB-CB 4.01Å; W130-F354 HydrophobicContact CB-CG 4.18Å; W130-F354 HydrophobicContact CD2-CB 3.91Å; W130-F354 HydrophobicContact CD2-CD1 4.33Å; W130-F354 HydrophobicContact CD2-CG 4.36Å; W130-F354 HydrophobicContact CE3-CD1 4.29Å; W130-F354 HydrophobicContact CG-CB 3.55Å; W130-F354 HydrophobicContact CG-CG 4.11Å; M171-F354 HydrophobicContact CB-CE1 4.02Å; M171-F354 HydrophobicContact CB-CE2 3.91Å; M171-F354 HydrophobicContact CB-CZ 3.49Å; M171-F354 VanDerWaalsContact CB-CZ 3.49Å; M171-F354 HydrophobicContact CE-CD2 3.84Å; M171-F354 HydrophobicContact CE-CE2 3.58Å; M171-F354 HydrophobicContact CE-CZ 4.33Å; M171-F354 HydrophobicContact CG-CZ 4.41Å; M171-F354 HydrophobicContact SD-CD2 3.94Å; M171-F354 HydrophobicContact SD-CE2 3.91Å; M171-F354 HydrophobicContact SD-CG 4.31Å; M171-F354 HydrophobicContact SD-CZ 4.26Å; V173-F354 HydrophobicContact CG2-CD1 3.61Å; V173-F354 HydrophobicContact CG2-CE1 4.03Å; F350-F354 HydrophobicContact CD1-CD2 4.05Å; F350-F354 HydrophobicContact CD1-CE2 4.5Å; F350-F354 HydrophobicContact CD2-CD2 4.25Å; F350-F354 HydrophobicContact CD2-CE2 4.12Å; F350-F354 AromaticContact CE1-CD2 3.63Å; F350-F354 HydrophobicContact CE1-CD2 3.63Å; F350-F354 AromaticContact CE1-CE2 3.82Å; F350-F354 HydrophobicContact CE1-CE2 3.82Å; F350-F354 AromaticContact CE2-CD2 3.88Å; F350-F354 HydrophobicContact CE2-CD2 3.88Å; F350-F354 AromaticContact CE2-CE2 3.39Å; F350-F354 HydrophobicContact CE2-CE2 3.39Å; F350-F354 HydrophobicContact CE2-CZ 4.49Å; F350-F354 HydrophobicContact CG-CD2 4.33Å; F350-F354 AromaticContact CZ-CD2 3.52Å; F350-F354 HydrophobicContact CZ-CD2 3.52Å; F350-F354 AromaticContact CZ-CE2 3.19Å; F350-F354 HydrophobicContact CZ-CE2 3.19Å; F350-F354 HydrophobicContact CZ-CZ 4.16Å; F350-F354 WeakPolarHBondContact O-CD2 3.39Å; F350-F354 PolarHBondContact O-N 3.03Å; F350-F354 VanDerWaalsContact O-N 3.12Å; F354-Y356 VanDerWaalsContact C-N 3.34Å; F354-C357 PolarHBondContact O-N 2.76Å; F354-A358 VanDerWaalsContact O-CB 3.31Å; F354-A358 WeakPolarHBondContact O-CB 3.24Å; F354-A358 PolarHBondContact O-N 2.84Å
355	N	94.9	Very high	94.9	Very high	51 Å²	51	30 Å²	30	27%	0.273	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-39	172.3	-79.9	-40.8	0	0	0	112.1	W130 Q351 E352 L353 A358 V359	W130-N355 PolarHBondContact NE1-OD1 3.42Å; Q351-N355 WeakPolarHBondContact O-CB 3.39Å; Q351-N355 PolarHBondContact O-N 3.29Å; Q351-N355 PolarHBondContact O-ND2 3.04Å; E352-N355 PolarHBondContact O-N 3.43Å; L353-N355 VanDerWaalsContact C-N 3.33Å; L353-N355 PolarHBondContact O-N 3.22Å; N355-A358 PolarHBondContact O-N 2.93Å; N355-V359 WeakPolarHBondContact O-CB 3.41Å; N355-V359 VanDerWaalsContact O-CG2 3.27Å; N355-V359 WeakPolarHBondContact O-CG2 3.47Å; N355-V359 PolarHBondContact O-N 3.37Å
356	Y	94.7	Very high	95.1	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-51.9	172.8	170.2	-86.8	0	0	0	111.2	Q330 D331 L334 R335 E352 L353 F354 A358 V359 D360	Q330-Y356 HydrophobicContact CB-CE2 4.18Å; D331-Y356 WeakPolarHBondContact O-CD2 3.31Å; D331-Y356 VanDerWaalsContact O-CE2 3.29Å; D331-Y356 WeakPolarHBondContact O-CE2 3.43Å; L334-Y356 HydrophobicContact CB-CD2 4.18Å; L334-Y356 HydrophobicContact CB-CG 4.39Å; L334-Y356 HydrophobicContact CD1-CD2 4.48Å; R335-Y356 HydrophobicContact CB-CE2 4.5Å; E352-Y356 WeakPolarHBondContact O-CB 3.29Å; E352-Y356 PolarHBondContact O-N 3.27Å; L353-Y356 WeakPolarHBondContact O-CB 3.35Å; L353-Y356 PolarHBondContact O-N 3.16Å; F354-Y356 VanDerWaalsContact C-N 3.34Å; Y356-A358 VanDerWaalsContact C-N 3.3Å; Y356-A358 PolarHBondContact O-N 2.83Å; Y356-V359 WeakPolarHBondContact O-CB 3.44Å; Y356-V359 PolarHBondContact O-N 2.78Å; Y356-V359 VanDerWaalsContact O-N 3.15Å; Y356-D360 PolarHBondContact O-N 3.01Å; Y356-D360 PolarHBondContact OH-OD2 3.42Å
357	C	95.4	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-40.6	177.7	-57.5	0	0	0	0	111.7	E160 V173 L353 F354 V359 D360 V361	E160-C357 WeakPolarHBondContact CG-SG 3.47Å; V173-C357 HydrophobicContact CB-CB 4.24Å; V173-C357 HydrophobicContact CG2-CB 3.64Å; L353-C357 PolarHBondContact O-N 2.96Å; L353-C357 PolarHBondContact O-SG 3.45Å; F354-C357 PolarHBondContact O-N 2.76Å; C357-V359 VanDerWaalsContact C-N 3.31Å; C357-V359 PolarHBondContact O-N 3.48Å; C357-D360 PolarHBondContact O-N 2.95Å; C357-V361 WeakPolarHBondContact O-CG2 3.37Å; C357-V361 PolarHBondContact O-N 3.2Å
358	A	96.2	Very high	95.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-34.1	178.3	0	0	0	0	0	112.7	L126 W130 V173 W180 F354 N355 Y356 V361 L362	L126-A358 HydrophobicContact CD1-CB 3.83Å; W130-A358 HydrophobicContact CH2-CB 3.94Å; W130-A358 HydrophobicContact CZ2-CB 3.53Å; V173-A358 HydrophobicContact CG1-CB 3.99Å; W180-A358 HydrophobicContact CE3-CB 4.41Å; W180-A358 HydrophobicContact CH2-CB 4.33Å; W180-A358 WeakPolarHBondContact CH2-O 3.43Å; W180-A358 HydrophobicContact CZ3-CB 3.83Å; F354-A358 VanDerWaalsContact O-CB 3.31Å; F354-A358 WeakPolarHBondContact O-CB 3.24Å; F354-A358 PolarHBondContact O-N 2.84Å; N355-A358 PolarHBondContact O-N 2.93Å; Y356-A358 VanDerWaalsContact C-N 3.3Å; Y356-A358 PolarHBondContact O-N 2.83Å; A358-V361 PolarHBondContact O-N 3.2Å; A358-L362 WeakPolarHBondContact O-CB 3.46Å; A358-L362 PolarHBondContact O-N 2.87Å
359	V	95.5	Very high	95.8	Very high	32 Å²	32	25.8 Å²	25.8	19%	0.194	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-41.4	172.5	165.7	0	0	0	0	111.2	P329 Q330 N355 Y356 C357 L362 M363	P329-V359 HydrophobicContact CB-CG1 4.35Å; P329-V359 HydrophobicContact CG-CG1 3.72Å; Q330-V359 HydrophobicContact CB-CG1 4.11Å; N355-V359 WeakPolarHBondContact O-CB 3.41Å; N355-V359 VanDerWaalsContact O-CG2 3.27Å; N355-V359 WeakPolarHBondContact O-CG2 3.47Å; N355-V359 PolarHBondContact O-N 3.37Å; Y356-V359 WeakPolarHBondContact O-CB 3.44Å; Y356-V359 PolarHBondContact O-N 2.78Å; Y356-V359 VanDerWaalsContact O-N 3.15Å; C357-V359 VanDerWaalsContact C-N 3.31Å; C357-V359 PolarHBondContact O-N 3.48Å; V359-L362 PolarHBondContact O-N 3.23Å; V359-M363 HydrophobicContact CG1-CE 4.05Å; V359-M363 WeakPolarHBondContact O-CG 3.21Å; V359-M363 PolarHBondContact O-N 3.32Å
360	D	95.8	Very high	95.9	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.064	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-40.5	176	-78.1	5.5	0	0	0	111.5	L316 Q330 Y356 C357 M363 T364	L316-D360 HydrophobicContact CD2-CB 3.9Å; Q330-D360 PolarHBondContact OE1-OD1 2.85Å; Y356-D360 PolarHBondContact O-N 3.01Å; Y356-D360 PolarHBondContact OH-OD2 3.42Å; C357-D360 PolarHBondContact O-N 2.95Å; D360-M363 HydrophobicContact CB-CE 4.43Å; D360-M363 PolarHBondContact O-N 2.91Å; D360-M363 WeakPolarHBondContact OD1-CE 3.35Å; D360-T364 WeakPolarHBondContact O-CB 3.41Å; D360-T364 PolarHBondContact O-N 3.03Å; D360-T364 PolarHBondContact O-OG1 2.9Å
361	V	97.1	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-44.6	171.2	170	0	0	0	0	111.6	I156 D158 V173 L175 W180 C357 A358 T364 Y365	I156-V361 HydrophobicContact CB-CG1 3.96Å; I156-V361 HydrophobicContact CG2-CG1 3.85Å; I156-V361 WeakPolarHBondContact CG2-O 3.23Å; D158-V361 HydrophobicContact CB-CG2 3.54Å; V173-V361 HydrophobicContact CB-CG2 4.1Å; V173-V361 HydrophobicContact CG1-CG2 4.14Å; L175-V361 HydrophobicContact CB-CG1 3.49Å; L175-V361 VanDerWaalsContact CB-CG1 3.49Å; L175-V361 HydrophobicContact CD2-CG1 4.37Å; W180-V361 HydrophobicContact CH2-CG1 4.17Å; W180-V361 HydrophobicContact CZ3-CB 4.14Å; W180-V361 HydrophobicContact CZ3-CG1 3.8Å; C357-V361 WeakPolarHBondContact O-CG2 3.37Å; C357-V361 PolarHBondContact O-N 3.2Å; A358-V361 PolarHBondContact O-N 3.2Å; V361-T364 WeakPolarHBondContact O-CB 3.39Å; V361-T364 PolarHBondContact O-N 2.89Å; V361-Y365 PolarHBondContact O-N 2.87Å
362	L	96.4	Very high	96.1	Very high	53 Å²	53	23.2 Å²	23.2	28%	0.277	12%	0.117	S	C	.	.	H	α-helix	trans	-65.2	-42.2	179.1	-175	63.8	0	0	0	112	P123 W180 A358 V359 T364 Y365 E366	P123-L362 HydrophobicContact CB-CD1 4.3Å; P123-L362 HydrophobicContact CG-CD1 4.18Å; W180-L362 HydrophobicContact CH2-CB 4.23Å; W180-L362 HydrophobicContact CZ2-CD1 4.49Å; A358-L362 WeakPolarHBondContact O-CB 3.46Å; A358-L362 PolarHBondContact O-N 2.87Å; V359-L362 PolarHBondContact O-N 3.23Å; L362-T364 VanDerWaalsContact C-N 3.31Å; L362-T364 PolarHBondContact O-N 3.21Å; L362-Y365 HydrophobicContact CD1-CD1 4.36Å; L362-Y365 WeakPolarHBondContact O-CB 3.37Å; L362-Y365 PolarHBondContact O-N 2.75Å; L362-E366 PolarHBondContact O-N 3.29Å
363	M	97	Very high	96.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-42.4	173.8	-74.9	-171.7	-65.2	0	0	111.1	L316 Y320 P328 P329 Q330 V359 D360 Y365 E366 I367	L316-M363 HydrophobicContact CD1-CB 4.44Å; L316-M363 HydrophobicContact CD2-CB 4.49Å; L316-M363 HydrophobicContact CD2-CE 3.83Å; L316-M363 HydrophobicContact CG-CB 4.49Å; L316-M363 HydrophobicContact CG-CE 4.2Å; Y320-M363 HydrophobicContact CD1-CG 4.42Å; Y320-M363 HydrophobicContact CD1-SD 4.17Å; Y320-M363 HydrophobicContact CD2-CB 3.72Å; Y320-M363 HydrophobicContact CD2-CG 3.7Å; Y320-M363 HydrophobicContact CD2-SD 4.27Å; Y320-M363 HydrophobicContact CE1-CG 4.44Å; Y320-M363 HydrophobicContact CE2-CB 4.05Å; Y320-M363 HydrophobicContact CE2-CG 3.77Å; Y320-M363 HydrophobicContact CG-CB 4.34Å; Y320-M363 HydrophobicContact CG-CG 4.05Å; Y320-M363 HydrophobicContact CG-SD 4.01Å; P328-M363 HydrophobicContact CB-SD 3.95Å; P329-M363 HydrophobicContact CG-CG 4.48Å; P329-M363 HydrophobicContact CG-SD 4.44Å; Q330-M363 HydrophobicContact CB-CE 3.99Å; Q330-M363 HydrophobicContact CG-CE 3.8Å; Q330-M363 HydrophobicContact CG-SD 4.39Å; Q330-M363 VanDerWaalsContact OE1-CE 3.32Å; V359-M363 HydrophobicContact CG1-CE 4.05Å; V359-M363 WeakPolarHBondContact O-CG 3.21Å; V359-M363 PolarHBondContact O-N 3.32Å; D360-M363 HydrophobicContact CB-CE 4.43Å; D360-M363 PolarHBondContact O-N 2.91Å; D360-M363 WeakPolarHBondContact OD1-CE 3.35Å; M363-Y365 VanDerWaalsContact C-N 3.33Å; M363-Y365 PolarHBondContact O-N 2.99Å; M363-E366 PolarHBondContact O-N 2.78Å; M363-I367 WeakPolarHBondContact O-CB 3.37Å; M363-I367 WeakPolarHBondContact O-CD1 3.27Å; M363-I367 VanDerWaalsContact O-CG1 3.24Å; M363-I367 WeakPolarHBondContact O-CG1 3.41Å; M363-I367 PolarHBondContact O-N 2.89Å
364	T	97.4	Very high	96.3	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.025	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-41.9	176.7	-60	0	0	0	0	111.4	I156 I221 T248 D360 V361 L362 I367 I368	I156-T364 HydrophobicContact CG2-CG2 3.71Å; I221-T364 HydrophobicContact CG2-CG2 4.38Å; T248-T364 HydrophobicContact CG2-CG2 3.81Å; D360-T364 WeakPolarHBondContact O-CB 3.41Å; D360-T364 PolarHBondContact O-N 3.03Å; D360-T364 PolarHBondContact O-OG1 2.9Å; V361-T364 WeakPolarHBondContact O-CB 3.39Å; V361-T364 PolarHBondContact O-N 2.89Å; L362-T364 VanDerWaalsContact C-N 3.31Å; L362-T364 PolarHBondContact O-N 3.21Å; T364-I367 PolarHBondContact O-N 3.15Å; T364-I368 PolarHBondContact O-N 2.86Å
365	Y	97.1	Very high	96.4	Very high	22 Å²	22	23.8 Å²	23.8	9%	0.086	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-52.1	172.5	167.3	-93.1	0	0	0	111.7	F120 G121 P123 I156 L175 V361 L362 M363 I367 I368 Q369	F120-Y365 HydrophobicContact CB-CE2 4.16Å; F120-Y365 HydrophobicContact CD1-CD2 4.47Å; F120-Y365 HydrophobicContact CD1-CE2 4.44Å; G121-Y365 PolarHBondContact O-OH 3.18Å; P123-Y365 HydrophobicContact CB-CD1 4.49Å; P123-Y365 HydrophobicContact CB-CE1 4.27Å; P123-Y365 WeakPolarHBondContact CD-OH 3.41Å; P123-Y365 HydrophobicContact CG-CD1 4.31Å; P123-Y365 HydrophobicContact CG-CE1 3.84Å; I156-Y365 HydrophobicContact CG1-CD2 4.29Å; L175-Y365 HydrophobicContact CD2-CD2 4.05Å; L175-Y365 HydrophobicContact CD2-CG 3.91Å; V361-Y365 PolarHBondContact O-N 2.87Å; L362-Y365 HydrophobicContact CD1-CD1 4.36Å; L362-Y365 WeakPolarHBondContact O-CB 3.37Å; L362-Y365 PolarHBondContact O-N 2.75Å; M363-Y365 VanDerWaalsContact C-N 3.33Å; M363-Y365 PolarHBondContact O-N 2.99Å; Y365-I367 VanDerWaalsContact C-N 3.3Å; Y365-I367 PolarHBondContact O-N 3.12Å; Y365-I368 WeakPolarHBondContact O-CG2 3.23Å; Y365-I368 PolarHBondContact O-N 3.47Å; Y365-Q369 HydrophobicContact CE1-CG 4.11Å; Y365-Q369 HydrophobicContact CE2-CG 4.09Å; Y365-Q369 WeakPolarHBondContact O-CG 3.4Å; Y365-Q369 PolarHBondContact O-N 3.49Å
366	E	96.9	Very high	96.5	Very high	48 Å²	48	25.1 Å²	25.1	22%	0.224	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-37.2	-179.1	-70.7	-165.3	176.5	0	0	112.2	Y320 K326 L362 M363	Y320-E366 HydrophobicContact CE2-CB 4Å; Y320-E366 VanDerWaalsContact CE2-OE2 3.27Å; Y320-E366 WeakPolarHBondContact CE2-OE2 3.47Å; Y320-E366 PolarHBondContact OH-OE2 3Å; K326-E366 VanDerWaalsContact NZ-CD 3.3Å; K326-E366 IonicContact NZ-OE1 3.08Å; K326-E366 PolarHBondContact NZ-OE1 3.13Å; K326-E366 VanDerWaalsContact NZ-OE1 3.08Å; K326-E366 IonicContact NZ-OE2 2.79Å; K326-E366 PolarHBondContact NZ-OE2 3.05Å; L362-E366 PolarHBondContact O-N 3.29Å; M363-E366 PolarHBondContact O-N 2.78Å
367	I	97.5	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-49.5	176.1	-72.1	161.1	0	0	0	110.4	T248 L316 I319 Y320 Y323 M363 T364 Y365 Q369 V370 L371	T248-I367 HydrophobicContact CG2-CG2 4.34Å; L316-I367 HydrophobicContact CD1-CD1 3.45Å; L316-I367 VanDerWaalsContact CD1-CD1 3.45Å; I319-I367 HydrophobicContact CB-CD1 4.47Å; I319-I367 HydrophobicContact CG2-CD1 3.95Å; I319-I367 HydrophobicContact CG2-CG1 4.33Å; I319-I367 HydrophobicContact CG2-CG2 3.96Å; Y320-I367 HydrophobicContact CD2-CD1 4.2Å; Y320-I367 HydrophobicContact CD2-CG1 4.05Å; Y323-I367 HydrophobicContact CD2-CG2 4.39Å; M363-I367 WeakPolarHBondContact O-CB 3.37Å; M363-I367 WeakPolarHBondContact O-CD1 3.27Å; M363-I367 VanDerWaalsContact O-CG1 3.24Å; M363-I367 WeakPolarHBondContact O-CG1 3.41Å; M363-I367 PolarHBondContact O-N 2.89Å; T364-I367 PolarHBondContact O-N 3.15Å; Y365-I367 VanDerWaalsContact C-N 3.3Å; Y365-I367 PolarHBondContact O-N 3.12Å; I367-Q369 VanDerWaalsContact C-N 3.28Å; I367-Q369 PolarHBondContact O-N 3.37Å; I367-V370 PolarHBondContact O-N 3.5Å; I367-V370 VanDerWaalsContact O-N 3.16Å; I367-L371 HydrophobicContact CG2-CB 4.28Å; I367-L371 HydrophobicContact CG2-CD2 4.02Å; I367-L371 WeakPolarHBondContact O-CB 3.43Å; I367-L371 PolarHBondContact O-N 3.14Å
368	I	96.7	Very high	96.7	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-33.1	-174.8	-166.8	65.5	0	0	0	111.9	L117 I156 I221 V246 T248 L251 T364 Y365 V370 L371 W372	L117-I368 HydrophobicContact CD2-CG1 4.37Å; I156-I368 HydrophobicContact CD1-CG2 4.19Å; I221-I368 HydrophobicContact CG2-CB 4.3Å; I221-I368 HydrophobicContact CG2-CG1 4.16Å; I221-I368 HydrophobicContact CG2-CG2 4.4Å; V246-I368 HydrophobicContact CG1-CD1 4.34Å; T248-I368 HydrophobicContact CG2-CB 4.24Å; T248-I368 HydrophobicContact CG2-CD1 4.26Å; L251-I368 HydrophobicContact CD1-CD1 3.55Å; T364-I368 PolarHBondContact O-N 2.86Å; Y365-I368 WeakPolarHBondContact O-CG2 3.23Å; Y365-I368 PolarHBondContact O-N 3.47Å; I368-V370 VanDerWaalsContact C-N 3.26Å; I368-V370 PolarHBondContact O-N 3.48Å; I368-L371 PolarHBondContact O-N 2.96Å; I368-W372 HydrophobicContact CD1-CB 4.1Å; I368-W372 HydrophobicContact CG1-CB 4.27Å; I368-W372 WeakPolarHBondContact O-CB 3.24Å; I368-W372 PolarHBondContact O-N 2.85Å
369	Q	95.7	Very high	96.8	Very high	76 Å²	76	32.1 Å²	32.1	36%	0.355	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-35.7	175.5	-69	-61.9	-37	0	0	112.6	Y365 I367 P373	Y365-Q369 HydrophobicContact CE1-CG 4.11Å; Y365-Q369 HydrophobicContact CE2-CG 4.09Å; Y365-Q369 WeakPolarHBondContact O-CG 3.4Å; Y365-Q369 PolarHBondContact O-N 3.49Å; I367-Q369 VanDerWaalsContact C-N 3.28Å; I367-Q369 PolarHBondContact O-N 3.37Å; Q369-P373 VanDerWaalsContact O-CD 3.3Å; Q369-P373 WeakPolarHBondContact O-CD 3.32Å
370	V	96.1	Very high	96.9	Very high	61 Å²	61	33.8 Å²	33.8	37%	0.37	17%	0.173	S	C	.	.	H	α-helix	trans	-87.9	-40.8	177.5	-179.4	0	0	0	0	111.7	I367 I368 P373 I374	I367-V370 PolarHBondContact O-N 3.5Å; I367-V370 VanDerWaalsContact O-N 3.16Å; I368-V370 VanDerWaalsContact C-N 3.26Å; I368-V370 PolarHBondContact O-N 3.48Å; V370-P373 WeakPolarHBondContact O-CD 3.48Å; V370-I374 HydrophobicContact CG1-CD1 4.25Å; V370-I374 WeakPolarHBondContact O-CG1 3.48Å
371	L	96.6	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-76.5	-35.6	-171.1	-177.4	54.6	0	0	0	112.9	L251 H252 V255 Y323 I367 I368 I374 F375	L251-L371 HydrophobicContact CB-CD2 3.69Å; L251-L371 HydrophobicContact CB-CG 4.01Å; H252-L371 HydrophobicContact CB-CD2 4.27Å; V255-L371 HydrophobicContact CB-CD1 4.22Å; V255-L371 HydrophobicContact CG1-CD1 4.38Å; V255-L371 HydrophobicContact CG2-CD1 4.01Å; Y323-L371 HydrophobicContact CE1-CD1 3.95Å; Y323-L371 HydrophobicContact CE2-CD1 3.87Å; Y323-L371 HydrophobicContact CE2-CD2 4.13Å; Y323-L371 HydrophobicContact CE2-CG 4.49Å; I367-L371 HydrophobicContact CG2-CB 4.28Å; I367-L371 HydrophobicContact CG2-CD2 4.02Å; I367-L371 WeakPolarHBondContact O-CB 3.43Å; I367-L371 PolarHBondContact O-N 3.14Å; I368-L371 PolarHBondContact O-N 2.96Å; L371-I374 PolarHBondContact O-N 3.32Å; L371-F375 WeakPolarHBondContact O-CB 3.26Å; L371-F375 PolarHBondContact O-N 3.07Å
372	W	96.4	Very high	97	Very high	14 Å²	14	35.5 Å²	35.5	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-46.9	-177.8	175.6	-120.2	0	0	0	113.6	M114 L117 L251 I368 I374 F375 K376 F385	M114-W372 HydrophobicContact CG-CH2 4.42Å; M114-W372 HydrophobicContact CG-CZ2 4.1Å; L117-W372 HydrophobicContact CD1-CD2 4.06Å; L117-W372 HydrophobicContact CD1-CE3 4.03Å; L117-W372 HydrophobicContact CD1-CH2 3.64Å; L117-W372 HydrophobicContact CD1-CZ2 3.66Å; L117-W372 HydrophobicContact CD1-CZ3 3.83Å; L251-W372 HydrophobicContact CD1-CE3 4.49Å; I368-W372 HydrophobicContact CD1-CB 4.1Å; I368-W372 HydrophobicContact CG1-CB 4.27Å; I368-W372 WeakPolarHBondContact O-CB 3.24Å; I368-W372 PolarHBondContact O-N 2.85Å; W372-I374 VanDerWaalsContact C-N 3.33Å; W372-I374 PolarHBondContact O-N 2.99Å; W372-F375 HydrophobicContact CE3-CB 4.45Å; W372-F375 HydrophobicContact CE3-CD1 4.08Å; W372-F375 AromaticContact CZ3-CD1 3.7Å; W372-F375 HydrophobicContact CZ3-CD1 3.7Å; W372-F375 HydrophobicContact CZ3-CE1 4.18Å; W372-F375 PolarHBondContact O-N 3.11Å; W372-K376 HydrophobicContact CD2-CG 4.25Å; W372-K376 HydrophobicContact CH2-CG 4.25Å; W372-K376 HydrophobicContact CZ2-CD 3.8Å; W372-K376 HydrophobicContact CZ2-CG 3.89Å; W372-K376 PolarHBondContact O-N 3.03Å; W372-F385 AromaticContact CH2-CD1 3.96Å; W372-F385 HydrophobicContact CH2-CD1 3.96Å; W372-F385 AromaticContact CH2-CD2 3.76Å; W372-F385 HydrophobicContact CH2-CD2 3.76Å; W372-F385 AromaticContact CH2-CE1 3.91Å; W372-F385 HydrophobicContact CH2-CE1 3.91Å; W372-F385 AromaticContact CH2-CE2 3.72Å; W372-F385 HydrophobicContact CH2-CE2 3.72Å; W372-F385 AromaticContact CH2-CG 3.89Å; W372-F385 HydrophobicContact CH2-CG 3.89Å; W372-F385 AromaticContact CH2-CZ 3.8Å; W372-F385 HydrophobicContact CH2-CZ 3.8Å; W372-F385 AromaticContact CZ3-CD2 3.76Å; W372-F385 HydrophobicContact CZ3-CD2 3.76Å; W372-F385 AromaticContact CZ3-CE2 3.7Å; W372-F385 HydrophobicContact CZ3-CE2 3.7Å; W372-F385 HydrophobicContact CZ3-CG 4.33Å; W372-F385 HydrophobicContact CZ3-CZ 4.2Å
373	P	96.9	Very high	97.1	Very high	66 Å²	66	33 Å²	33	43%	0.429	17%	0.17	S	C	.	.	H	α-helix	trans	-56.4	-44.3	173.3	-26.3	34.6	0	0	0	113.3	Q369 V370 F375 K376 E377	Q369-P373 VanDerWaalsContact O-CD 3.3Å; Q369-P373 WeakPolarHBondContact O-CD 3.32Å; V370-P373 WeakPolarHBondContact O-CD 3.48Å; P373-F375 VanDerWaalsContact C-N 3.33Å; P373-F375 PolarHBondContact O-N 2.8Å; P373-K376 PolarHBondContact O-N 2.76Å; P373-E377 PolarHBondContact O-N 3.3Å; P373-E377 VanDerWaalsContact O-N 3.13Å
374	I	97.4	Very high	97.1	Very high	38 Å²	38	32.9 Å²	32.9	20%	0.195	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-42.5	178.7	-57.5	173.6	0	0	0	110.2	V255 Y323 V370 L371 W372 K376 E377 R378	V255-I374 HydrophobicContact CG1-CG2 3.65Å; V255-I374 HydrophobicContact CG2-CG2 4.35Å; Y323-I374 HydrophobicContact CD1-CD1 4.39Å; Y323-I374 HydrophobicContact CE1-CD1 4.38Å; V370-I374 HydrophobicContact CG1-CD1 4.25Å; V370-I374 WeakPolarHBondContact O-CG1 3.48Å; L371-I374 PolarHBondContact O-N 3.32Å; W372-I374 VanDerWaalsContact C-N 3.33Å; W372-I374 PolarHBondContact O-N 2.99Å; I374-K376 PolarHBondContact O-N 2.73Å; I374-E377 PolarHBondContact O-N 3.36Å; I374-R378 HydrophobicContact CG2-CG 4.33Å; I374-R378 VanDerWaalsContact O-CG 3.31Å; I374-R378 WeakPolarHBondContact O-CG 3.4Å; I374-R378 PolarHBondContact O-N 3Å
375	F	97.5	Very high	97.1	Very high	3 Å²	3	33 Å²	33	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-46.5	177.1	-177.7	-91.1	0	0	0	111.4	L251 A254 V255 L371 W372 P373 E377 R378 F379 T384 F385 L388	L251-F375 HydrophobicContact CB-CD2 4.31Å; L251-F375 HydrophobicContact CD2-CD1 4.17Å; L251-F375 HydrophobicContact CD2-CD2 3.45Å; L251-F375 VanDerWaalsContact CD2-CD2 3.45Å; L251-F375 HydrophobicContact CD2-CE1 4.19Å; L251-F375 HydrophobicContact CD2-CE2 3.47Å; L251-F375 VanDerWaalsContact CD2-CE2 3.47Å; L251-F375 HydrophobicContact CD2-CG 3.82Å; L251-F375 HydrophobicContact CD2-CZ 3.86Å; L251-F375 HydrophobicContact CG-CD2 4.4Å; A254-F375 HydrophobicContact CB-CD2 4.5Å; A254-F375 HydrophobicContact CB-CE2 4.16Å; V255-F375 HydrophobicContact CG2-CB 4.44Å; V255-F375 HydrophobicContact CG2-CD2 4.3Å; L371-F375 WeakPolarHBondContact O-CB 3.26Å; L371-F375 PolarHBondContact O-N 3.07Å; W372-F375 HydrophobicContact CE3-CB 4.45Å; W372-F375 HydrophobicContact CE3-CD1 4.08Å; W372-F375 AromaticContact CZ3-CD1 3.7Å; W372-F375 HydrophobicContact CZ3-CD1 3.7Å; W372-F375 HydrophobicContact CZ3-CE1 4.18Å; W372-F375 PolarHBondContact O-N 3.11Å; P373-F375 VanDerWaalsContact C-N 3.33Å; P373-F375 PolarHBondContact O-N 2.8Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.49Å; F375-R378 PolarHBondContact O-N 2.92Å; F375-F379 HydrophobicContact CD1-CD2 4.37Å; F375-F379 AromaticContact CD2-CD2 3.36Å; F375-F379 HydrophobicContact CD2-CD2 3.36Å; F375-F379 AromaticContact CD2-CE2 3.74Å; F375-F379 HydrophobicContact CD2-CE2 3.74Å; F375-F379 HydrophobicContact CD2-CG 4.35Å; F375-F379 HydrophobicContact CE1-CB 4.11Å; F375-F379 HydrophobicContact CE1-CD2 4.33Å; F375-F379 HydrophobicContact CE2-CB 4.42Å; F375-F379 AromaticContact CE2-CD2 3.32Å; F375-F379 HydrophobicContact CE2-CD2 3.32Å; F375-F379 AromaticContact CE2-CE2 3.76Å; F375-F379 HydrophobicContact CE2-CE2 3.76Å; F375-F379 AromaticContact CE2-CG 3.96Å; F375-F379 HydrophobicContact CE2-CG 3.96Å; F375-F379 AromaticContact CG-CD2 3.91Å; F375-F379 HydrophobicContact CG-CD2 3.91Å; F375-F379 HydrophobicContact CZ-CB 4.05Å; F375-F379 AromaticContact CZ-CD2 3.83Å; F375-F379 HydrophobicContact CZ-CD2 3.83Å; F375-F379 HydrophobicContact CZ-CG 4.04Å; F375-F379 WeakPolarHBondContact O-CB 3.44Å; F375-F379 VanDerWaalsContact O-CD2 3.32Å; F375-F379 WeakPolarHBondContact O-CD2 3.5Å; F375-F379 PolarHBondContact O-N 2.87Å; F375-T384 HydrophobicContact CZ-CG2 4.23Å; F375-F385 HydrophobicContact CE1-CB 4.43Å; F375-F385 HydrophobicContact CE1-CD2 4.41Å; F375-L388 HydrophobicContact CE1-CD1 4.49Å; F375-L388 HydrophobicContact CE2-CD1 4.07Å; F375-L388 HydrophobicContact CZ-CD1 3.56Å
376	K	96.6	Very high	97.1	Very high	80 Å²	80	32.1 Å²	32.1	35%	0.348	17%	0.166	S	C	.	.	H	α-helix	trans	-60.2	-40.3	178	-72.2	-168.7	-67.5	178	0	112.9	E118 W372 P373 I374 F379 P380	E118-K376 IonicContact OE1-NZ 2.67Å; E118-K376 PolarHBondContact OE1-NZ 3.25Å; W372-K376 HydrophobicContact CD2-CG 4.25Å; W372-K376 HydrophobicContact CH2-CG 4.25Å; W372-K376 HydrophobicContact CZ2-CD 3.8Å; W372-K376 HydrophobicContact CZ2-CG 3.89Å; W372-K376 PolarHBondContact O-N 3.03Å; P373-K376 PolarHBondContact O-N 2.76Å; I374-K376 PolarHBondContact O-N 2.73Å; K376-F379 CarbonylContact O-C 3.6Å; K376-P380 WeakPolarHBondContact O-CA 3.41Å
377	E	97.3	Very high	97.1	Very high	129 Å²	129	29.8 Å²	29.8	60%	0.603	16%	0.156	S	C	*	.	H	α-helix	trans	-64.2	-42.8	177.3	-172.7	-166.4	152.8	0	0	112.1	P373 I374 F375	P373-E377 PolarHBondContact O-N 3.3Å; P373-E377 VanDerWaalsContact O-N 3.13Å; I374-E377 PolarHBondContact O-N 3.36Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.49Å
378	R	97.5	Very high	97.1	Very high	18 Å²	18	30.4 Å²	30.4	7%	0.068	16%	0.159	C	C	.	.	H	α-helix	trans	-79.9	-25.7	-176.9	-63.1	-167.1	82.3	72.1	-0.5	113.3	I374 F375 P380 R1056 Q1063 L1064	I374-R378 HydrophobicContact CG2-CG 4.33Å; I374-R378 VanDerWaalsContact O-CG 3.31Å; I374-R378 WeakPolarHBondContact O-CG 3.4Å; I374-R378 PolarHBondContact O-N 3Å; F375-R378 PolarHBondContact O-N 2.92Å; R378-P380 VanDerWaalsContact C-CD 3.5Å; R378-P380 WeakPolarHBondContact O-CD 3.4Å; R378-R1056 PolarHBondContact O-NH1 2.82Å; R378-Q1063 HydrophobicContact CB-CB 4.08Å; R378-Q1063 WeakPolarHBondContact O-CB 3.41Å; R378-Q1063 PolarHBondContact O-N 3.36Å; R378-L1064 PolarHBondContact NH2-O 2.96Å
379	F	97.7	Very high	97	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.035	16%	0.158	C	C	.	.	S	Bend	trans	-127.3	68.4	-178.7	-55.3	-75.2	0	0	0	110.3	A254 V255 F375 K376 H381 T384 A1062	A254-F379 HydrophobicContact CB-CE2 3.74Å; A254-F379 HydrophobicContact CB-CZ 3.75Å; V255-F379 HydrophobicContact CG2-CE2 4.15Å; F375-F379 HydrophobicContact CD1-CD2 4.37Å; F375-F379 AromaticContact CD2-CD2 3.36Å; F375-F379 HydrophobicContact CD2-CD2 3.36Å; F375-F379 AromaticContact CD2-CE2 3.74Å; F375-F379 HydrophobicContact CD2-CE2 3.74Å; F375-F379 HydrophobicContact CD2-CG 4.35Å; F375-F379 HydrophobicContact CE1-CB 4.11Å; F375-F379 HydrophobicContact CE1-CD2 4.33Å; F375-F379 HydrophobicContact CE2-CB 4.42Å; F375-F379 AromaticContact CE2-CD2 3.32Å; F375-F379 HydrophobicContact CE2-CD2 3.32Å; F375-F379 AromaticContact CE2-CE2 3.76Å; F375-F379 HydrophobicContact CE2-CE2 3.76Å; F375-F379 AromaticContact CE2-CG 3.96Å; F375-F379 HydrophobicContact CE2-CG 3.96Å; F375-F379 AromaticContact CG-CD2 3.91Å; F375-F379 HydrophobicContact CG-CD2 3.91Å; F375-F379 HydrophobicContact CZ-CB 4.05Å; F375-F379 AromaticContact CZ-CD2 3.83Å; F375-F379 HydrophobicContact CZ-CD2 3.83Å; F375-F379 HydrophobicContact CZ-CG 4.04Å; F375-F379 WeakPolarHBondContact O-CB 3.44Å; F375-F379 VanDerWaalsContact O-CD2 3.32Å; F375-F379 WeakPolarHBondContact O-CD2 3.5Å; F375-F379 PolarHBondContact O-N 2.87Å; K376-F379 CarbonylContact O-C 3.6Å; F379-H381 VanDerWaalsContact C-N 3.28Å; F379-H381 PolarHBondContact O-N 3.35Å; F379-T384 HydrophobicContact CB-CG2 4.12Å; F379-T384 HydrophobicContact CD1-CG2 4.23Å; F379-T384 HydrophobicContact CG-CG2 4.33Å; F379-A1062 HydrophobicContact CD1-CB 3.59Å; F379-A1062 HydrophobicContact CE1-CB 3.81Å
380	P	97.1	Very high	97	Very high	68 Å²	68	27.4 Å²	27.4	44%	0.442	15%	0.145	S	C	.	.			trans	-69.6	-22.5	-167.9	27.9	-36.5	0	0	0	113.8	K376 R378 N1061	K376-P380 WeakPolarHBondContact O-CA 3.41Å; R378-P380 VanDerWaalsContact C-CD 3.5Å; R378-P380 WeakPolarHBondContact O-CD 3.4Å; P380-N1061 HydrophobicContact CG-CB 4.09Å
381	H	98	Very high	97	Very high	21 Å²	21	24.7 Å²	24.7	10%	0.097	13%	0.128	C	C	.	.	S	Bend	trans	-82.5	124.2	-178.2	-165.8	-67.2	0	0	0	111.5	D103 F379 A383 T384 L1060	D103-H381 IonicContact OD1-CD2 3.22Å; D103-H381 IonicContact OD1-CE1 3.62Å; D103-H381 IonicContact OD1-NE2 2.78Å; D103-H381 PolarHBondContact OD1-NE2 3.35Å; F379-H381 VanDerWaalsContact C-N 3.28Å; F379-H381 PolarHBondContact O-N 3.35Å; H381-A383 VanDerWaalsContact CE1-CB 3.45Å; H381-A383 WeakPolarHBondContact CE1-CB 3.48Å; H381-A383 WeakPolarHBondContact ND1-CB 3.41Å; H381-A383 PolarHBondContact ND1-N 2.86Å; H381-A383 VanDerWaalsContact ND1-N 3.13Å; H381-A383 PolarHBondContact O-N 3.32Å; H381-A383 VanDerWaalsContact O-N 3.11Å; H381-T384 PolarHBondContact O-N 3Å; H381-T384 VanDerWaalsContact O-N 3.08Å; H381-L1060 HydrophobicContact CB-CB 4.01Å; H381-L1060 HydrophobicContact CB-CD2 4.29Å; H381-L1060 VanDerWaalsContact CB-O 3.29Å; H381-L1060 WeakPolarHBondContact CB-O 3.41Å
382	P	97.2	Very high	96.9	Very high	27 Å²	27	25.3 Å²	25.3	18%	0.175	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-26.3	-173.2	21.9	-32.4	0	0	0	114	A106 K107 S110 M114 T384 F385 C386	A106-P382 HydrophobicContact CB-CB 4.17Å; A106-P382 HydrophobicContact CB-CG 3.84Å; K107-P382 HydrophobicContact CB-CG 4.37Å; S110-P382 WeakPolarHBondContact OG-CB 3.49Å; M114-P382 HydrophobicContact CE-CB 4.18Å; P382-T384 PolarHBondContact O-N 3.31Å; P382-F385 PolarHBondContact O-N 2.96Å; P382-F385 VanDerWaalsContact O-N 3.14Å; P382-C386 PolarHBondContact O-N 3.33Å
383	A	98	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.9	-33.3	176.1	0	0	0	0	0	112.7	A106 H381 C386 G387 L1060 V1099	A106-A383 HydrophobicContact CB-CB 3.89Å; H381-A383 VanDerWaalsContact CE1-CB 3.45Å; H381-A383 WeakPolarHBondContact CE1-CB 3.48Å; H381-A383 WeakPolarHBondContact ND1-CB 3.41Å; H381-A383 PolarHBondContact ND1-N 2.86Å; H381-A383 VanDerWaalsContact ND1-N 3.13Å; H381-A383 PolarHBondContact O-N 3.32Å; H381-A383 VanDerWaalsContact O-N 3.11Å; A383-C386 PolarHBondContact O-N 2.96Å; A383-G387 PolarHBondContact O-N 2.93Å; A383-L1060 HydrophobicContact CB-CD1 4.18Å; A383-L1060 HydrophobicContact CB-CD2 4.37Å; A383-V1099 HydrophobicContact CB-CG2 3.99Å
384	T	98.1	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-48.5	177.7	-70.6	0	0	0	0	110.9	F375 F379 H381 P382 G387 L388 H1095	F375-T384 HydrophobicContact CZ-CG2 4.23Å; F379-T384 HydrophobicContact CB-CG2 4.12Å; F379-T384 HydrophobicContact CD1-CG2 4.23Å; F379-T384 HydrophobicContact CG-CG2 4.33Å; H381-T384 PolarHBondContact O-N 3Å; H381-T384 VanDerWaalsContact O-N 3.08Å; P382-T384 PolarHBondContact O-N 3.31Å; T384-G387 PolarHBondContact O-N 2.94Å; T384-L388 WeakPolarHBondContact O-CG 3.37Å; T384-L388 PolarHBondContact O-N 3.45Å; T384-L388 VanDerWaalsContact O-N 3.13Å; T384-H1095 WeakPolarHBondContact CA-ND1 3.48Å
385	F	97.7	Very high	96.7	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-43.6	177.6	-178.6	-123.1	0	0	0	111.7	M114 L117 V246 W372 F375 P382 G387 L388 L389	M114-F385 HydrophobicContact CE-CB 4.17Å; M114-F385 HydrophobicContact CE-CD1 3.66Å; M114-F385 HydrophobicContact CE-CG 4.27Å; M114-F385 HydrophobicContact CG-CD1 3.81Å; M114-F385 HydrophobicContact CG-CE1 3.72Å; L117-F385 HydrophobicContact CD1-CE1 4.16Å; L117-F385 HydrophobicContact CD1-CE2 3.94Å; L117-F385 HydrophobicContact CD1-CZ 3.38Å; V246-F385 HydrophobicContact CG2-CE2 4.03Å; V246-F385 HydrophobicContact CG2-CZ 4.09Å; W372-F385 AromaticContact CH2-CD1 3.96Å; W372-F385 HydrophobicContact CH2-CD1 3.96Å; W372-F385 AromaticContact CH2-CD2 3.76Å; W372-F385 HydrophobicContact CH2-CD2 3.76Å; W372-F385 AromaticContact CH2-CE1 3.91Å; W372-F385 HydrophobicContact CH2-CE1 3.91Å; W372-F385 AromaticContact CH2-CE2 3.72Å; W372-F385 HydrophobicContact CH2-CE2 3.72Å; W372-F385 AromaticContact CH2-CG 3.89Å; W372-F385 HydrophobicContact CH2-CG 3.89Å; W372-F385 AromaticContact CH2-CZ 3.8Å; W372-F385 HydrophobicContact CH2-CZ 3.8Å; W372-F385 AromaticContact CZ3-CD2 3.76Å; W372-F385 HydrophobicContact CZ3-CD2 3.76Å; W372-F385 AromaticContact CZ3-CE2 3.7Å; W372-F385 HydrophobicContact CZ3-CE2 3.7Å; W372-F385 HydrophobicContact CZ3-CG 4.33Å; W372-F385 HydrophobicContact CZ3-CZ 4.2Å; F375-F385 HydrophobicContact CE1-CB 4.43Å; F375-F385 HydrophobicContact CE1-CD2 4.41Å; P382-F385 PolarHBondContact O-N 2.96Å; P382-F385 VanDerWaalsContact O-N 3.14Å; F385-G387 VanDerWaalsContact C-N 3.31Å; F385-G387 PolarHBondContact O-N 3.44Å; F385-L388 WeakPolarHBondContact O-CB 3.18Å; F385-L388 PolarHBondContact O-N 3.19Å; F385-L389 HydrophobicContact CD1-CD1 4.07Å; F385-L389 HydrophobicContact CE1-CD1 3.67Å; F385-L389 HydrophobicContact CE1-CD2 4.41Å; F385-L389 HydrophobicContact CE1-CG 4.24Å; F385-L389 HydrophobicContact CE2-CD2 4Å; F385-L389 HydrophobicContact CE2-CG 4.19Å; F385-L389 HydrophobicContact CZ-CD1 3.9Å; F385-L389 HydrophobicContact CZ-CD2 3.77Å; F385-L389 HydrophobicContact CZ-CG 4.01Å; F385-L389 WeakPolarHBondContact O-CG 3.44Å; F385-L389 PolarHBondContact O-N 3.43Å
386	C	96.8	Very high	96.7	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-60.1	-40.1	176.7	-167.9	0	0	0	0	112.6	P382 A383 L389 E390 V1099	P382-C386 PolarHBondContact O-N 3.33Å; A383-C386 PolarHBondContact O-N 2.96Å; C386-L389 PolarHBondContact O-N 3.13Å; C386-E390 PolarHBondContact O-N 3.19Å; C386-V1099 HydrophobicContact CB-CG2 3.67Å
387	G	96.6	Very high	96.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-43.9	175.4	0	0	0	0	0	112.3	A383 T384 F385 L389 E390 M391	A383-G387 PolarHBondContact O-N 2.93Å; T384-G387 PolarHBondContact O-N 2.94Å; F385-G387 VanDerWaalsContact C-N 3.31Å; F385-G387 PolarHBondContact O-N 3.44Å; G387-L389 VanDerWaalsContact C-N 3.32Å; G387-L389 PolarHBondContact O-N 2.93Å; G387-E390 PolarHBondContact O-N 3.3Å; G387-M391 WeakPolarHBondContact O-CB 3.49Å; G387-M391 VanDerWaalsContact O-CG 3.24Å; G387-M391 WeakPolarHBondContact O-CG 3.31Å; G387-M391 PolarHBondContact O-N 3.17Å
388	L	96.6	Very high	96.7	Very high	12 Å²	12	10.6 Å²	10.6	6%	0.063	6%	0.06	C	C	.	.	H	α-helix	trans	-60	-41.8	174.6	-65.3	175.5	0	0	0	112	L251 F375 T384 F385 M391 S392 C871	L251-L388 HydrophobicContact CD2-CD1 4.31Å; F375-L388 HydrophobicContact CE1-CD1 4.49Å; F375-L388 HydrophobicContact CE2-CD1 4.07Å; F375-L388 HydrophobicContact CZ-CD1 3.56Å; T384-L388 WeakPolarHBondContact O-CG 3.37Å; T384-L388 PolarHBondContact O-N 3.45Å; T384-L388 VanDerWaalsContact O-N 3.13Å; F385-L388 WeakPolarHBondContact O-CB 3.18Å; F385-L388 PolarHBondContact O-N 3.19Å; L388-M391 PolarHBondContact O-N 3.23Å; L388-S392 PolarHBondContact O-N 3.41Å; L388-S392 VanDerWaalsContact O-N 3.1Å; L388-C871 HydrophobicContact CD2-CB 4.15Å
389	L	96.3	Very high	96.6	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-62.1	-48.8	177.5	-65.4	174	0	0	0	111.3	Y113 R244 V246 F385 C386 G387 M391 S392	Y113-L389 HydrophobicContact CD2-CD1 3.65Å; Y113-L389 HydrophobicContact CE2-CD1 4.44Å; Y113-L389 HydrophobicContact CG-CD1 3.77Å; R244-L389 HydrophobicContact CB-CB 4.34Å; R244-L389 HydrophobicContact CB-CD2 3.81Å; R244-L389 WeakPolarHBondContact CD-O 3.34Å; R244-L389 HydrophobicContact CG-CB 4.2Å; V246-L389 HydrophobicContact CG2-CD2 3.93Å; F385-L389 HydrophobicContact CD1-CD1 4.07Å; F385-L389 HydrophobicContact CE1-CD1 3.67Å; F385-L389 HydrophobicContact CE1-CD2 4.41Å; F385-L389 HydrophobicContact CE1-CG 4.24Å; F385-L389 HydrophobicContact CE2-CD2 4Å; F385-L389 HydrophobicContact CE2-CG 4.19Å; F385-L389 HydrophobicContact CZ-CD1 3.9Å; F385-L389 HydrophobicContact CZ-CD2 3.77Å; F385-L389 HydrophobicContact CZ-CG 4.01Å; F385-L389 WeakPolarHBondContact O-CG 3.44Å; F385-L389 PolarHBondContact O-N 3.43Å; C386-L389 PolarHBondContact O-N 3.13Å; G387-L389 VanDerWaalsContact C-N 3.32Å; G387-L389 PolarHBondContact O-N 2.93Å; L389-M391 PolarHBondContact O-N 3.32Å; L389-S392 WeakPolarHBondContact O-CB 3.45Å; L389-S392 PolarHBondContact O-N 2.81Å; L389-S392 VanDerWaalsContact O-N 3.16Å; L389-S392 PolarHBondContact O-OG 2.83Å
390	E	95.3	Very high	96.5	Very high	17 Å²	17	12 Å²	12	8%	0.079	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-40.1	179.6	-70.6	-62	124.2	0	0	112.2	R244 C386 G387 S392 S393 L1098 R1102	R244-E390 IonicContact CZ-OE1 2.71Å; R244-E390 IonicContact NE-OE1 3.24Å; R244-E390 PolarHBondContact NE-OE1 3.14Å; R244-E390 VanDerWaalsContact NE-OE1 3.15Å; R244-E390 IonicContact NH2-OE1 2.77Å; R244-E390 PolarHBondContact NH2-OE1 3.13Å; R244-E390 IonicContact NH2-OE2 2.69Å; C386-E390 PolarHBondContact O-N 3.19Å; G387-E390 PolarHBondContact O-N 3.3Å; E390-S392 PolarHBondContact O-N 2.75Å; E390-S393 PolarHBondContact O-N 2.85Å; E390-L1098 HydrophobicContact CB-CB 4.39Å; E390-L1098 HydrophobicContact CB-CD1 4.37Å; E390-R1102 IonicContact OE1-CZ 2.85Å; E390-R1102 IonicContact OE1-NE 2.61Å
391	M	95.6	Very high	96.4	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.02	5%	0.053	C	C	.	.	H	α-helix	trans	-65.6	-23.3	176.4	-70.1	173.2	63.7	0	0	113.2	G387 L388 L389 S393 M394 T870 A878 L1094 L1098	G387-M391 WeakPolarHBondContact O-CB 3.49Å; G387-M391 VanDerWaalsContact O-CG 3.24Å; G387-M391 WeakPolarHBondContact O-CG 3.31Å; G387-M391 PolarHBondContact O-N 3.17Å; L388-M391 PolarHBondContact O-N 3.23Å; L389-M391 PolarHBondContact O-N 3.32Å; M391-S393 VanDerWaalsContact C-N 3.25Å; M391-S393 PolarHBondContact O-N 3.36Å; M391-M394 HydrophobicContact CB-CE 3.87Å; M391-M394 HydrophobicContact CE-CE 4.44Å; M391-M394 HydrophobicContact CG-CE 3.93Å; M391-M394 WeakPolarHBondContact O-CG 3.5Å; M391-T870 HydrophobicContact CB-CG2 3.81Å; M391-A878 HydrophobicContact CE-CB 3.45Å; M391-A878 VanDerWaalsContact CE-CB 3.45Å; M391-L1094 HydrophobicContact CE-CD2 4.05Å; M391-L1094 HydrophobicContact SD-CD2 3.8Å; M391-L1094 HydrophobicContact SD-CG 4.39Å; M391-L1098 HydrophobicContact CG-CD1 3.5Å; M391-L1098 VanDerWaalsContact CG-CD1 3.5Å; M391-L1098 HydrophobicContact SD-CD1 4.05Å
392	S	94.8	Very high	96.3	Very high	13 Å²	13	8.8 Å²	8.8	9%	0.091	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-16.5	179.2	78.8	0	0	0	0	113.8	R229 F245 L388 L389 E390	R229-S392 WeakPolarHBondContact CD-O 3.45Å; R229-S392 PolarHBondContact NE-O 3.1Å; R229-S392 VanDerWaalsContact NE-O 3.11Å; F245-S392 PolarHBondContact N-OG 3.33Å; L388-S392 PolarHBondContact O-N 3.41Å; L388-S392 VanDerWaalsContact O-N 3.1Å; L389-S392 WeakPolarHBondContact O-CB 3.45Å; L389-S392 PolarHBondContact O-N 2.81Å; L389-S392 VanDerWaalsContact O-N 3.16Å; L389-S392 PolarHBondContact O-OG 2.83Å; E390-S392 PolarHBondContact O-N 2.75Å
393	S	93.5	Very high	96.1	Very high	11 Å²	11	10.7 Å²	10.7	8%	0.077	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	25.2	-172.3	-61.9	0	0	0	0	114.1	R229 E390 M391	R229-S393 VanDerWaalsContact NH2-C 3.3Å; R229-S393 PolarHBondContact NH2-O 3.03Å; E390-S393 PolarHBondContact O-N 2.85Å; M391-S393 VanDerWaalsContact C-N 3.25Å; M391-S393 PolarHBondContact O-N 3.36Å
394	M	95.7	Very high	96	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.08	C	C	.	.			trans	-59.6	148.3	176.7	-69.7	-175.8	-162.7	0	0	112.5	R229 M391 P866 V868 L1114 C1115 I1116	R229-M394 VanDerWaalsContact CZ-O 3.29Å; R229-M394 PolarHBondContact NH1-O 3.41Å; R229-M394 PolarHBondContact NH2-O 3.46Å; M391-M394 HydrophobicContact CB-CE 3.87Å; M391-M394 HydrophobicContact CE-CE 4.44Å; M391-M394 HydrophobicContact CG-CE 3.93Å; M391-M394 WeakPolarHBondContact O-CG 3.5Å; M394-P866 HydrophobicContact CB-CG 3.81Å; M394-V868 HydrophobicContact SD-CG2 4.1Å; M394-L1114 HydrophobicContact CE-CD2 4.45Å; M394-L1114 HydrophobicContact CG-CD2 4.11Å; M394-L1114 HydrophobicContact CG-CG 4.44Å; M394-C1115 WeakPolarHBondContact CB-O 3.42Å; M394-I1116 HydrophobicContact SD-CG1 4.06Å
395	Y	96.9	Very high	95.8	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.016	8%	0.08	C	C	.	.			trans	-147.4	124	-168.5	173.5	-89.4	0	0	0	110.6	Y236 L238 P397 A863 L865 C1115	Y236-Y395 WeakPolarHBondContact O-CE2 3.41Å; L238-Y395 HydrophobicContact CD1-CD1 4.38Å; L238-Y395 HydrophobicContact CD1-CE1 3.49Å; L238-Y395 VanDerWaalsContact CD1-CE1 3.49Å; Y395-P397 HydrophobicContact CE1-CB 3.8Å; Y395-P397 HydrophobicContact CE1-CG 4.13Å; Y395-A863 HydrophobicContact CD2-CB 3.98Å; Y395-A863 HydrophobicContact CE1-CB 4.26Å; Y395-A863 HydrophobicContact CE2-CB 3.25Å; Y395-A863 VanDerWaalsContact CZ-CB 3.42Å; Y395-A863 WeakPolarHBondContact OH-CB 3.21Å; Y395-L865 HydrophobicContact CD2-CD2 3.81Å; Y395-C1115 PolarHBondContact N-O 3.4Å; Y395-C1115 CarbonylContact O-C 3.48Å; Y395-C1115 VanDerWaalsContact O-CA 3.24Å; Y395-C1115 WeakPolarHBondContact O-CA 3.33Å; Y395-C1115 PolarHBondContact O-SG 2.99Å
396	L	97.7	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	101.6	-177.4	-58.3	175.6	0	0	0	110.2	A863 I864 P866 W883 V902 I1116 I1174	L396-A863 CarbonylContact O-C 3.33Å; L396-A863 VanDerWaalsContact O-CA 3.24Å; L396-A863 WeakPolarHBondContact O-CA 2.99Å; L396-I864 HydrophobicContact CB-CB 4.37Å; L396-I864 WeakPolarHBondContact CB-O 3.35Å; L396-I864 PolarHBondContact N-O 3.47Å; L396-I864 PolarHBondContact O-N 3.37Å; L396-P866 HydrophobicContact CD1-CB 4.24Å; L396-P866 HydrophobicContact CD1-CG 4.1Å; L396-P866 HydrophobicContact CG-CG 4.26Å; L396-W883 HydrophobicContact CD1-CB 4.49Å; L396-W883 HydrophobicContact CD1-CD2 3.35Å; L396-W883 HydrophobicContact CD1-CE3 3.88Å; L396-W883 HydrophobicContact CD1-CG 3.64Å; L396-W883 HydrophobicContact CD1-CH2 4.28Å; L396-W883 HydrophobicContact CD1-CZ2 3.82Å; L396-W883 HydrophobicContact CD1-CZ3 4.31Å; L396-V902 HydrophobicContact CB-CG1 3.99Å; L396-V902 HydrophobicContact CB-CG2 4.21Å; L396-V902 HydrophobicContact CD2-CG1 4.12Å; L396-V902 HydrophobicContact CD2-CG2 4.42Å; L396-I1116 HydrophobicContact CD2-CB 3.94Å; L396-I1116 HydrophobicContact CD2-CD1 4.23Å; L396-I1116 HydrophobicContact CD2-CG2 4.38Å; L396-I1174 HydrophobicContact CD2-CD1 4.37Å
397	P	97.5	Very high	95.6	Very high	2 Å²	2	23 Å²	23	1%	0.013	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	144.7	178.5	31	-34.7	0	0	0	111.1	Y395 G862 V902 Q903 F910 I1125	Y395-P397 HydrophobicContact CE1-CB 3.8Å; Y395-P397 HydrophobicContact CE1-CG 4.13Å; P397-G862 WeakPolarHBondContact CA-O 3.04Å; P397-V902 HydrophobicContact CG-CG1 4.41Å; P397-V902 CarbonylContact O-C 3Å; P397-V902 WeakPolarHBondContact O-CA 3.26Å; P397-V902 WeakPolarHBondContact O-CG1 3.39Å; P397-Q903 CarbonylContact C-O 3.56Å; P397-Q903 WeakPolarHBondContact CB-O 3.5Å; P397-Q903 WeakPolarHBondContact CG-O 3.28Å; P397-Q903 PolarHBondContact O-N 3.25Å; P397-F910 HydrophobicContact CG-CE1 3.75Å; P397-F910 HydrophobicContact CG-CZ 3.54Å; P397-I1125 HydrophobicContact CG-CD1 3.83Å
398	I	97	Very high	95.5	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	162.1	179.1	56.7	164.1	0	0	0	110.2	W402 A837 W839 G862 I864	I398-W402 HydrophobicContact CB-CB 4.16Å; I398-W402 HydrophobicContact CD1-CB 4.34Å; I398-W402 HydrophobicContact CD1-CG 4.13Å; I398-W402 HydrophobicContact CG2-CB 4.41Å; I398-W402 HydrophobicContact CG2-CD2 4.48Å; I398-W402 HydrophobicContact CG2-CG 4.44Å; I398-A837 HydrophobicContact CD1-CB 3.56Å; I398-W839 HydrophobicContact CD1-CH2 3.64Å; I398-W839 HydrophobicContact CD1-CZ2 4.14Å; I398-W839 HydrophobicContact CD1-CZ3 3.87Å; I398-W839 HydrophobicContact CG1-CH2 4.14Å; I398-W839 HydrophobicContact CG1-CZ3 3.93Å; I398-G862 PolarHBondContact N-O 2.94Å; I398-G862 PolarHBondContact O-N 2.69Å; I398-I864 HydrophobicContact CD1-CD1 4.14Å; I398-I864 HydrophobicContact CD1-CG1 3.93Å; I398-I864 HydrophobicContact CG2-CD1 3.99Å; I398-I864 HydrophobicContact CG2-CG1 4.3Å
399	N	95.5	Very high	95.4	Very high	22 Å²	22	25.7 Å²	25.7	12%	0.118	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	-171.8	171.6	63.8	26	0	0	0	109.5	N401 W402 W839 N860 Y861 Q903	N399-N401 PolarHBondContact O-N 2.84Å; N399-N401 WeakPolarHBondContact OD1-CB 3.25Å; N399-N401 PolarHBondContact OD1-N 3.04Å; N399-N401 PolarHBondContact OD1-ND2 3.23Å; N399-W402 WeakPolarHBondContact O-CB 3.39Å; N399-W402 PolarHBondContact O-N 3.36Å; N399-W839 WeakPolarHBondContact O-CH2 3.48Å; N399-N860 VanDerWaalsContact CA-O 3.25Å; N399-N860 WeakPolarHBondContact CA-O 3.27Å; N399-N860 WeakPolarHBondContact CB-O 3.14Å; N399-Y861 HydrophobicContact CB-CD1 4.25Å; N399-Y861 HydrophobicContact CB-CE1 4.5Å; N399-Q903 PolarHBondContact ND2-OE1 2.76Å; N399-Q903 PolarHBondContact OD1-OE1 2.98Å
400	D	94.4	Very high	95.3	Very high	34 Å²	34	28 Å²	28	18%	0.182	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-23.6	179.1	-60.8	-40.5	0	0	0	114.7	W402 I403 K404 A859 N860	D400-W402 PolarHBondContact O-N 3.43Å; D400-I403 PolarHBondContact O-N 3.42Å; D400-K404 WeakPolarHBondContact O-CG 3.45Å; D400-K404 PolarHBondContact O-N 3.29Å; D400-K404 VanDerWaalsContact O-N 3.16Å; D400-A859 WeakPolarHBondContact OD2-CA 3.44Å; D400-A859 VanDerWaalsContact OD2-CB 3.27Å; D400-A859 WeakPolarHBondContact OD2-CB 3.38Å; D400-N860 PolarHBondContact N-O 3.45Å; D400-N860 VanDerWaalsContact OD1-CB 3.24Å; D400-N860 WeakPolarHBondContact OD1-CB 3.47Å; D400-N860 PolarHBondContact OD1-N 3.07Å; D400-N860 VanDerWaalsContact OD1-N 3.09Å; D400-N860 PolarHBondContact OD1-ND2 3.07Å; D400-N860 PolarHBondContact OD2-N 2.94Å
401	N	95.5	Very high	95.3	Very high	17 Å²	17	30.9 Å²	30.9	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-24	177.1	-66.6	-29.6	0	0	0	112.5	N399 K404 F405 M901 Q903 Y1195	N399-N401 PolarHBondContact O-N 2.84Å; N399-N401 WeakPolarHBondContact OD1-CB 3.25Å; N399-N401 PolarHBondContact OD1-N 3.04Å; N399-N401 PolarHBondContact OD1-ND2 3.23Å; N401-K404 PolarHBondContact O-N 3.47Å; N401-F405 WeakPolarHBondContact O-CB 3.47Å; N401-F405 PolarHBondContact O-N 2.66Å; N401-M901 HydrophobicContact CB-SD 4.31Å; N401-Q903 PolarHBondContact ND2-NE2 2.93Å; N401-Q903 PolarHBondContact ND2-OE1 3.31Å; N401-Y1195 HydrophobicContact CB-CD1 3.96Å; N401-Y1195 PolarHBondContact ND2-O 2.9Å
402	W	95.5	Very high	95.2	Very high	5 Å²	5	32 Å²	32	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-45.7	173.2	178.3	-111.3	0	0	0	112.3	I398 N399 D400 Q406 I832 Q835 W839 I864 W883 I898 M901	I398-W402 HydrophobicContact CB-CB 4.16Å; I398-W402 HydrophobicContact CD1-CB 4.34Å; I398-W402 HydrophobicContact CD1-CG 4.13Å; I398-W402 HydrophobicContact CG2-CB 4.41Å; I398-W402 HydrophobicContact CG2-CD2 4.48Å; I398-W402 HydrophobicContact CG2-CG 4.44Å; N399-W402 WeakPolarHBondContact O-CB 3.39Å; N399-W402 PolarHBondContact O-N 3.36Å; D400-W402 PolarHBondContact O-N 3.43Å; W402-Q406 WeakPolarHBondContact O-CG 3.42Å; W402-Q406 PolarHBondContact O-N 2.96Å; W402-I832 HydrophobicContact CH2-CG2 3.8Å; W402-I832 HydrophobicContact CZ2-CG2 3.81Å; W402-Q835 HydrophobicContact CZ2-CB 4.37Å; W402-W839 HydrophobicContact CB-CH2 4.49Å; W402-I864 HydrophobicContact CD2-CD1 4.1Å; W402-I864 HydrophobicContact CE3-CD1 4.48Å; W402-I864 HydrophobicContact CH2-CD1 4.02Å; W402-I864 HydrophobicContact CZ2-CD1 3.59Å; W402-I864 HydrophobicContact CZ3-CD1 4.45Å; W402-W883 AromaticContact CH2-CH2 3.83Å; W402-W883 HydrophobicContact CH2-CH2 3.83Å; W402-W883 AromaticContact CH2-CZ2 3.93Å; W402-W883 HydrophobicContact CH2-CZ2 3.93Å; W402-W883 AromaticContact CZ3-CH2 3.68Å; W402-W883 HydrophobicContact CZ3-CH2 3.68Å; W402-W883 HydrophobicContact CZ3-CZ2 4.22Å; W402-I898 HydrophobicContact CH2-CD1 4.4Å; W402-I898 HydrophobicContact CH2-CG1 4.47Å; W402-I898 HydrophobicContact CZ3-CG1 4.1Å; W402-M901 HydrophobicContact CE3-CB 3.79Å; W402-M901 HydrophobicContact CZ3-CB 4.24Å
403	I	94	Very high	95.1	Very high	66 Å²	66	33.1 Å²	33.1	34%	0.338	17%	0.167	S	C	.	.	H	α-helix	trans	-69.7	-48.8	178.2	-60.5	173.7	0	0	0	109.4	D400 F405 Q406 E407 W839	D400-I403 PolarHBondContact O-N 3.42Å; I403-F405 PolarHBondContact O-N 3.44Å; I403-Q406 PolarHBondContact O-N 3.21Å; I403-E407 HydrophobicContact CG2-CG 4.41Å; I403-E407 WeakPolarHBondContact O-CG 3.34Å; I403-E407 PolarHBondContact O-N 3.34Å; I403-W839 HydrophobicContact CD1-CH2 4.41Å; I403-W839 HydrophobicContact CD1-CZ2 3.65Å; I403-W839 HydrophobicContact CG1-CH2 4.46Å; I403-W839 HydrophobicContact CG1-CZ2 3.91Å
404	K	94.6	Very high	95.1	Very high	111 Å²	111	36.4 Å²	36.4	48%	0.483	19%	0.187	S	C	.	.	H	α-helix	trans	-56.6	-39	178.6	-65.6	173.7	-172	167.3	0	112.2	D400 N401 K408	D400-K404 WeakPolarHBondContact O-CG 3.45Å; D400-K404 PolarHBondContact O-N 3.29Å; D400-K404 VanDerWaalsContact O-N 3.16Å; N401-K404 PolarHBondContact O-N 3.47Å; K404-K408 WeakPolarHBondContact O-CB 3.48Å; K404-K408 PolarHBondContact O-N 2.77Å
405	F	95.4	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-48.3	175.5	160.5	-104.5	0	0	0	112.1	N401 I403 E407 K408 A409 W825 I832 E897 I898 M901 Y1195	N401-F405 WeakPolarHBondContact O-CB 3.47Å; N401-F405 PolarHBondContact O-N 2.66Å; I403-F405 PolarHBondContact O-N 3.44Å; F405-E407 VanDerWaalsContact C-N 3.33Å; F405-E407 PolarHBondContact O-N 2.91Å; F405-K408 PolarHBondContact O-N 2.81Å; F405-A409 HydrophobicContact CE2-CB 4.36Å; F405-A409 VanDerWaalsContact O-CB 3.22Å; F405-A409 WeakPolarHBondContact O-CB 3.24Å; F405-A409 PolarHBondContact O-N 2.85Å; F405-W825 HydrophobicContact CE1-CH2 4.22Å; F405-W825 AromaticContact CE1-CZ3 3.98Å; F405-W825 HydrophobicContact CE1-CZ3 3.98Å; F405-W825 HydrophobicContact CE2-CZ3 4.46Å; F405-W825 HydrophobicContact CZ-CH2 4.32Å; F405-W825 AromaticContact CZ-CZ3 3.69Å; F405-W825 HydrophobicContact CZ-CZ3 3.69Å; F405-I832 HydrophobicContact CE1-CD1 4.33Å; F405-E897 HydrophobicContact CD2-CG 3.96Å; F405-E897 HydrophobicContact CE2-CG 3.74Å; F405-I898 HydrophobicContact CE1-CB 4.23Å; F405-I898 HydrophobicContact CE1-CG1 4.04Å; F405-I898 HydrophobicContact CZ-CB 3.87Å; F405-I898 HydrophobicContact CZ-CG1 4.2Å; F405-M901 HydrophobicContact CB-CG 3.67Å; F405-M901 HydrophobicContact CB-SD 3.55Å; F405-M901 VanDerWaalsContact CB-SD 3.55Å; F405-M901 HydrophobicContact CD1-CG 3.87Å; F405-M901 HydrophobicContact CD2-CG 3.91Å; F405-M901 HydrophobicContact CD2-SD 4.3Å; F405-M901 HydrophobicContact CE1-CG 4.49Å; F405-M901 HydrophobicContact CG-CG 3.53Å; F405-M901 HydrophobicContact CG-SD 4.01Å; F405-Y1195 HydrophobicContact CB-CE1 4.27Å
406	Q	95	Very high	94.6	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-45.1	179.2	-71.2	-176.5	71.9	0	0	111.5	W402 I403 E410 I832	W402-Q406 WeakPolarHBondContact O-CG 3.42Å; W402-Q406 PolarHBondContact O-N 2.96Å; I403-Q406 PolarHBondContact O-N 3.21Å; Q406-E410 VanDerWaalsContact O-CB 3.26Å; Q406-E410 WeakPolarHBondContact O-CB 3.28Å; Q406-E410 PolarHBondContact O-N 2.88Å; Q406-I832 HydrophobicContact CG-CG2 3.9Å
407	E	94.9	Very high	94.2	Very high	118 Å²	118	45.9 Å²	45.9	55%	0.551	23%	0.233	S	C	*	.	H	α-helix	trans	-62.9	-47.3	177.5	-68.7	175.7	167.3	0	0	111.9	I403 F405 E410 S411	I403-E407 HydrophobicContact CG2-CG 4.41Å; I403-E407 WeakPolarHBondContact O-CG 3.34Å; I403-E407 PolarHBondContact O-N 3.34Å; F405-E407 VanDerWaalsContact C-N 3.33Å; F405-E407 PolarHBondContact O-N 2.91Å; E407-E410 PolarHBondContact O-N 3.23Å; E407-S411 VanDerWaalsContact O-CB 3.24Å; E407-S411 WeakPolarHBondContact O-CB 3.37Å; E407-S411 PolarHBondContact O-N 3.22Å; E407-S411 PolarHBondContact O-OG 2.9Å
408	K	94	Very high	93.8	Very high	68 Å²	68	51.5 Å²	51.5	30%	0.296	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-46.4	179.7	-167.3	-179.4	-168.5	-176.2	0	111.1	K404 F405 S411 S412 S1186 N1187	K404-K408 WeakPolarHBondContact O-CB 3.48Å; K404-K408 PolarHBondContact O-N 2.77Å; F405-K408 PolarHBondContact O-N 2.81Å; K408-S411 PolarHBondContact O-N 3.38Å; K408-S412 WeakPolarHBondContact O-CB 3.47Å; K408-S412 PolarHBondContact O-N 2.93Å; K408-S412 PolarHBondContact O-OG 3.49Å; K408-S412 VanDerWaalsContact O-OG 3.1Å; K408-S1186 WeakPolarHBondContact CD-O 3.48Å; K408-S1186 WeakPolarHBondContact CE-O 3.34Å; K408-S1186 WeakPolarHBondContact CG-O 3.3Å; K408-N1187 PolarHBondContact NZ-OD1 2.79Å
409	A	94.6	Very high	93.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-44	178.8	0	0	0	0	0	112.1	F405 S411 S412 Y413 W825 L894	F405-A409 HydrophobicContact CE2-CB 4.36Å; F405-A409 VanDerWaalsContact O-CB 3.22Å; F405-A409 WeakPolarHBondContact O-CB 3.24Å; F405-A409 PolarHBondContact O-N 2.85Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.28Å; A409-S412 PolarHBondContact O-N 2.9Å; A409-Y413 VanDerWaalsContact O-CB 3.28Å; A409-Y413 WeakPolarHBondContact O-CB 3.22Å; A409-Y413 PolarHBondContact O-N 3.17Å; A409-W825 HydrophobicContact CB-CD2 4Å; A409-W825 HydrophobicContact CB-CE3 3.8Å; A409-W825 HydrophobicContact CB-CH2 3.37Å; A409-W825 HydrophobicContact CB-CZ2 3.58Å; A409-W825 HydrophobicContact CB-CZ3 3.48Å; A409-W825 VanDerWaalsContact CB-CZ3 3.48Å; A409-L894 HydrophobicContact CB-CD2 4.03Å; A409-L894 WeakPolarHBondContact O-CD2 3.35Å
410	E	95	Very high	93	Very high	53 Å²	53	56.2 Å²	56.2	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-38.9	176	-167	68.3	-144.3	0	0	111.9	Q406 E407 Y413 T414 W825 K833	Q406-E410 VanDerWaalsContact O-CB 3.26Å; Q406-E410 WeakPolarHBondContact O-CB 3.28Å; Q406-E410 PolarHBondContact O-N 2.88Å; E407-E410 PolarHBondContact O-N 3.23Å; E410-Y413 PolarHBondContact O-N 3.31Å; E410-T414 WeakPolarHBondContact O-CB 3.3Å; E410-T414 PolarHBondContact O-N 3.31Å; E410-T414 PolarHBondContact O-OG1 3.03Å; E410-W825 HydrophobicContact CB-CZ2 4.37Å; E410-W825 PolarHBondContact OE2-NE1 3Å; E410-K833 IonicContact OE1-NZ 3.53Å; E410-K833 IonicContact OE2-NZ 2.98Å; E410-K833 PolarHBondContact OE2-NZ 3.36Å
411	S	95	Very high	92.8	Very high	77 Å²	77	58.6 Å²	58.6	54%	0.538	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-50.1	175.6	-61.2	0	0	0	0	111.2	E407 K408 A409 Y413 T414 E415	E407-S411 VanDerWaalsContact O-CB 3.24Å; E407-S411 WeakPolarHBondContact O-CB 3.37Å; E407-S411 PolarHBondContact O-N 3.22Å; E407-S411 PolarHBondContact O-OG 2.9Å; K408-S411 PolarHBondContact O-N 3.38Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.28Å; S411-Y413 VanDerWaalsContact C-N 3.27Å; S411-Y413 PolarHBondContact O-N 3.28Å; S411-T414 PolarHBondContact O-N 2.63Å; S411-E415 WeakPolarHBondContact O-CB 3.3Å; S411-E415 PolarHBondContact O-N 3.36Å
412	S	92.7	Very high	92.6	Very high	28 Å²	28	64.1 Å²	64.1	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-36.2	176.2	-65.2	0	0	0	0	112.2	K408 A409 N416	K408-S412 WeakPolarHBondContact O-CB 3.47Å; K408-S412 PolarHBondContact O-N 2.93Å; K408-S412 PolarHBondContact O-OG 3.49Å; K408-S412 VanDerWaalsContact O-OG 3.1Å; A409-S412 PolarHBondContact O-N 2.9Å; S412-N416 WeakPolarHBondContact O-CB 3.5Å; S412-N416 PolarHBondContact O-N 3.28Å
413	Y	93.3	Very high	92.3	Very high	35 Å²	35	64.4 Å²	64.4	14%	0.137	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-44.4	176.3	172.9	-105	0	0	0	111.7	A409 E410 S411 N416 I417 A822 W825 Q826	A409-Y413 VanDerWaalsContact O-CB 3.28Å; A409-Y413 WeakPolarHBondContact O-CB 3.22Å; A409-Y413 PolarHBondContact O-N 3.17Å; E410-Y413 PolarHBondContact O-N 3.31Å; S411-Y413 VanDerWaalsContact C-N 3.27Å; S411-Y413 PolarHBondContact O-N 3.28Å; Y413-N416 PolarHBondContact O-N 3.23Å; Y413-I417 HydrophobicContact CD1-CD1 4.06Å; Y413-I417 HydrophobicContact CD2-CD1 4.48Å; Y413-I417 HydrophobicContact CE1-CD1 3.39Å; Y413-I417 HydrophobicContact CE1-CG1 4.44Å; Y413-I417 HydrophobicContact CE2-CD1 3.88Å; Y413-I417 HydrophobicContact CE2-CG1 4.35Å; Y413-I417 PolarHBondContact O-N 3.44Å; Y413-I417 WeakPolarHBondContact OH-CD1 3.37Å; Y413-A822 HydrophobicContact CD2-CB 3.89Å; Y413-A822 HydrophobicContact CE2-CB 3.91Å; Y413-W825 AromaticContact CD1-CD1 3.9Å; Y413-W825 HydrophobicContact CD2-CB 4.33Å; Y413-W825 AromaticContact CD2-CD1 3.75Å; Y413-W825 HydrophobicContact CD2-CG 4.4Å; Y413-W825 AromaticContact CG-CD1 3.45Å; Y413-W825 VanDerWaalsContact CG-CD1 3.45Å; Y413-W825 HydrophobicContact CG-CG 4.4Å; Y413-Q826 HydrophobicContact CE2-CB 4.04Å
414	T	93.3	Very high	92.1	Very high	81 Å²	81	61.3 Å²	61.3	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-44.5	177.7	-58.5	0	0	0	0	111.2	E410 S411 N416 I417 L418	E410-T414 WeakPolarHBondContact O-CB 3.3Å; E410-T414 PolarHBondContact O-N 3.31Å; E410-T414 PolarHBondContact O-OG1 3.03Å; S411-T414 PolarHBondContact O-N 2.63Å; T414-N416 VanDerWaalsContact C-N 3.33Å; T414-N416 PolarHBondContact O-N 3.25Å; T414-I417 PolarHBondContact O-N 2.97Å; T414-L418 WeakPolarHBondContact O-CB 3.29Å; T414-L418 PolarHBondContact O-N 3.35Å
415	E	92.5	Very high	92	Very high	120 Å²	120	57.9 Å²	57.9	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-59.6	-44.9	173.9	-171.4	-167.5	161.8	0	0	111.1	S411 I417 L418 R419	S411-E415 WeakPolarHBondContact O-CB 3.3Å; S411-E415 PolarHBondContact O-N 3.36Å; E415-I417 PolarHBondContact O-N 3.23Å; E415-L418 PolarHBondContact O-N 3.26Å; E415-R419 VanDerWaalsContact O-CB 3.3Å; E415-R419 WeakPolarHBondContact O-CB 3.32Å; E415-R419 PolarHBondContact O-N 3Å
416	N	89.2	Confident	91.8	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-44	178.3	-178	-59.6	0	0	0	111.6	S412 Y413 T414 R419 Q420 D818	S412-N416 WeakPolarHBondContact O-CB 3.5Å; S412-N416 PolarHBondContact O-N 3.28Å; Y413-N416 PolarHBondContact O-N 3.23Å; T414-N416 VanDerWaalsContact C-N 3.33Å; T414-N416 PolarHBondContact O-N 3.25Å; N416-R419 PolarHBondContact O-N 3.05Å; N416-Q420 WeakPolarHBondContact O-CG 3.33Å; N416-Q420 PolarHBondContact O-N 3.43Å; N416-Q420 PolarHBondContact OD1-NE2 2.95Å; N416-D818 PolarHBondContact ND2-O 3.19Å; N416-D818 PolarHBondContact OD1-O 3.1Å
417	I	88.5	Confident	91.6	Very high	77 Å²	77	60.1 Å²	60.1	40%	0.395	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-45.5	174.6	-73.9	-179.9	0	0	0	111.5	Y413 T414 E415 R419 Q420 K421	Y413-I417 HydrophobicContact CD1-CD1 4.06Å; Y413-I417 HydrophobicContact CD2-CD1 4.48Å; Y413-I417 HydrophobicContact CE1-CD1 3.39Å; Y413-I417 HydrophobicContact CE1-CG1 4.44Å; Y413-I417 HydrophobicContact CE2-CD1 3.88Å; Y413-I417 HydrophobicContact CE2-CG1 4.35Å; Y413-I417 PolarHBondContact O-N 3.44Å; Y413-I417 WeakPolarHBondContact OH-CD1 3.37Å; T414-I417 PolarHBondContact O-N 2.97Å; E415-I417 PolarHBondContact O-N 3.23Å; I417-R419 VanDerWaalsContact C-N 3.3Å; I417-R419 PolarHBondContact O-N 2.99Å; I417-Q420 PolarHBondContact O-N 3.43Å; I417-K421 PolarHBondContact O-N 3.34Å
418	L	90	Very high	91.5	Very high	119 Å²	119	54.5 Å²	54.5	62%	0.623	27%	0.268	S	S	*	.	H	α-helix	trans	-62.3	-41.7	179.2	-175.6	63.6	0	0	0	110.9	T414 E415 K421 K422	T414-L418 WeakPolarHBondContact O-CB 3.29Å; T414-L418 PolarHBondContact O-N 3.35Å; E415-L418 PolarHBondContact O-N 3.26Å; L418-K421 PolarHBondContact O-N 3.43Å; L418-K422 PolarHBondContact O-N 3.34Å
419	R	88.5	Confident	91.4	Very high	108 Å²	108	54.2 Å²	54.2	41%	0.408	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-47.7	175	-175.5	169.8	71.6	-158.2	3	111.5	E415 N416 I417 K421 K422 L423 D818	E415-R419 VanDerWaalsContact O-CB 3.3Å; E415-R419 WeakPolarHBondContact O-CB 3.32Å; E415-R419 PolarHBondContact O-N 3Å; N416-R419 PolarHBondContact O-N 3.05Å; I417-R419 VanDerWaalsContact C-N 3.3Å; I417-R419 PolarHBondContact O-N 2.99Å; R419-K421 VanDerWaalsContact C-N 3.29Å; R419-K421 PolarHBondContact O-N 2.87Å; R419-K422 PolarHBondContact O-N 3.5Å; R419-L423 HydrophobicContact CG-CD1 4.02Å; R419-L423 HydrophobicContact CG-CG 4.31Å; R419-L423 WeakPolarHBondContact O-CB 3.4Å; R419-L423 VanDerWaalsContact O-CG 3.28Å; R419-L423 WeakPolarHBondContact O-CG 3.43Å; R419-L423 PolarHBondContact O-N 3.41Å; R419-D818 IonicContact CZ-OD1 2.78Å; R419-D818 IonicContact CZ-OD2 2.64Å; R419-D818 IonicContact NE-OD1 3.42Å; R419-D818 IonicContact NE-OD2 2.79Å; R419-D818 PolarHBondContact NE-OD2 3.32Å; R419-D818 IonicContact NH2-OD1 3.87Å; R419-D818 PolarHBondContact NH2-OD1 2.65Å; R419-D818 IonicContact NH2-OD2 2.77Å; R419-D818 PolarHBondContact NH2-OD2 3.48Å
420	Q	87.7	Confident	91.1	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-45	174.6	-75.6	-178.1	48.7	0	0	111.4	N416 I417 L423 L424 L815 D818	N416-Q420 WeakPolarHBondContact O-CG 3.33Å; N416-Q420 PolarHBondContact O-N 3.43Å; N416-Q420 PolarHBondContact OD1-NE2 2.95Å; I417-Q420 PolarHBondContact O-N 3.43Å; Q420-L423 PolarHBondContact O-N 2.96Å; Q420-L424 WeakPolarHBondContact O-CB 3.4Å; Q420-L424 WeakPolarHBondContact O-CG 3.44Å; Q420-L424 PolarHBondContact O-N 3.26Å; Q420-L815 HydrophobicContact CG-CG 4.39Å; Q420-D818 HydrophobicContact CG-CB 3.74Å
421	K	89.7	Confident	90.8	Very high	85 Å²	85	57.2 Å²	57.2	37%	0.37	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-47.5	177.1	-175	178.7	-179.7	175.6	0	111.5	I417 L418 R419 L423 L424 M425 A491	I417-K421 PolarHBondContact O-N 3.34Å; L418-K421 PolarHBondContact O-N 3.43Å; R419-K421 VanDerWaalsContact C-N 3.29Å; R419-K421 PolarHBondContact O-N 2.87Å; K421-L423 PolarHBondContact O-N 2.9Å; K421-L424 WeakPolarHBondContact O-CB 3.43Å; K421-L424 PolarHBondContact O-N 2.97Å; K421-M425 HydrophobicContact CG-SD 4.13Å; K421-M425 VanDerWaalsContact O-CG 3.27Å; K421-M425 WeakPolarHBondContact O-CG 3.21Å; K421-M425 PolarHBondContact O-N 3Å; K421-A491 WeakPolarHBondContact CE-O 3.47Å; K421-A491 PolarHBondContact NZ-O 3.24Å
422	K	90.3	Very high	90.6	Very high	132 Å²	132	54.4 Å²	54.4	57%	0.574	26%	0.264	S	S	*	.	H	α-helix	trans	-62.1	-43.4	177.7	-173.9	177.2	-179.6	177	0	112.2	L418 R419 M425 Q426	L418-K422 PolarHBondContact O-N 3.34Å; R419-K422 PolarHBondContact O-N 3.5Å; K422-M425 PolarHBondContact O-N 2.96Å; K422-Q426 WeakPolarHBondContact O-CG 3.28Å; K422-Q426 PolarHBondContact O-N 3.41Å
423	L	89.5	Confident	90.4	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-42.2	176.8	-70.3	174.2	0	0	0	111.4	R419 Q420 K421 Q426 L427 L811 R814 L815	R419-L423 HydrophobicContact CG-CD1 4.02Å; R419-L423 HydrophobicContact CG-CG 4.31Å; R419-L423 WeakPolarHBondContact O-CB 3.4Å; R419-L423 VanDerWaalsContact O-CG 3.28Å; R419-L423 WeakPolarHBondContact O-CG 3.43Å; R419-L423 PolarHBondContact O-N 3.41Å; Q420-L423 PolarHBondContact O-N 2.96Å; K421-L423 PolarHBondContact O-N 2.9Å; L423-Q426 PolarHBondContact O-N 3.26Å; L423-L427 WeakPolarHBondContact O-CG 3.35Å; L423-L427 PolarHBondContact O-N 3.18Å; L423-L811 HydrophobicContact CD2-CB 4.4Å; L423-L811 HydrophobicContact CD2-CD2 3.39Å; L423-L811 HydrophobicContact CD2-CG 4.46Å; L423-R814 HydrophobicContact CD1-CB 4.44Å; L423-L815 HydrophobicContact CB-CD1 3.99Å; L423-L815 HydrophobicContact CD1-CB 4.2Å
424	L	90.3	Very high	90	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-44.6	173.6	-81.6	175.7	0	0	0	112	Q420 K421 L427 A428 L493 A495 A500 L815	Q420-L424 WeakPolarHBondContact O-CB 3.4Å; Q420-L424 WeakPolarHBondContact O-CG 3.44Å; Q420-L424 PolarHBondContact O-N 3.26Å; K421-L424 WeakPolarHBondContact O-CB 3.43Å; K421-L424 PolarHBondContact O-N 2.97Å; L424-L427 PolarHBondContact O-N 3.35Å; L424-A428 PolarHBondContact O-N 2.89Å; L424-L493 HydrophobicContact CB-CD2 3.65Å; L424-L493 HydrophobicContact CB-CG 4Å; L424-L493 HydrophobicContact CD1-CG 4.33Å; L424-L493 WeakPolarHBondContact O-CD2 3.14Å; L424-A495 HydrophobicContact CD1-CB 4.17Å; L424-A500 HydrophobicContact CD2-CB 4.04Å; L424-L815 HydrophobicContact CB-CD1 4.36Å; L424-L815 HydrophobicContact CD1-CD1 4.47Å; L424-L815 HydrophobicContact CD2-CD1 3.58Å; L424-L815 HydrophobicContact CG-CD1 3.45Å; L424-L815 VanDerWaalsContact CG-CD1 3.45Å
425	M	92.6	Very high	89.6	Confident	39 Å²	39	57.1 Å²	57.1	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-45.9	176.7	-68	168.6	65.7	0	0	110.8	K421 K422 L427 A428 D429 S488 P490 A491	K421-M425 HydrophobicContact CG-SD 4.13Å; K421-M425 VanDerWaalsContact O-CG 3.27Å; K421-M425 WeakPolarHBondContact O-CG 3.21Å; K421-M425 PolarHBondContact O-N 3Å; K422-M425 PolarHBondContact O-N 2.96Å; M425-L427 VanDerWaalsContact C-N 3.31Å; M425-L427 PolarHBondContact O-N 3.01Å; M425-A428 CarbonylContact O-C 3.59Å; M425-A428 WeakPolarHBondContact O-CA 3.32Å; M425-A428 WeakPolarHBondContact O-CB 3.2Å; M425-A428 PolarHBondContact O-N 2.91Å; M425-D429 PolarHBondContact O-N 3.48Å; M425-S488 VanDerWaalsContact CE-O 3.3Å; M425-S488 WeakPolarHBondContact CE-O 3.33Å; M425-P490 HydrophobicContact CB-CG 4.06Å; M425-P490 HydrophobicContact CG-CG 4.05Å; M425-A491 HydrophobicContact CE-CB 4.5Å
426	Q	91	Very high	89	Confident	69 Å²	69	52.7 Å²	52.7	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-40	175.8	-73.8	176.6	-21.2	0	0	112.7	K422 L423 D429 Q430	K422-Q426 WeakPolarHBondContact O-CG 3.28Å; K422-Q426 PolarHBondContact O-N 3.41Å; L423-Q426 PolarHBondContact O-N 3.26Å; Q426-D429 PolarHBondContact O-N 2.89Å; Q426-Q430 WeakPolarHBondContact O-CB 3.37Å; Q426-Q430 WeakPolarHBondContact O-CG 3.26Å; Q426-Q430 PolarHBondContact O-N 3.32Å
427	L	90.4	Very high	88.5	Confident	18 Å²	18	60 Å²	60	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-39.3	174.8	-71.8	169.5	0	0	0	111.8	L423 L424 M425 A431 L503 L504 L811 A812 L815	L423-L427 WeakPolarHBondContact O-CG 3.35Å; L423-L427 PolarHBondContact O-N 3.18Å; L424-L427 PolarHBondContact O-N 3.35Å; M425-L427 VanDerWaalsContact C-N 3.31Å; M425-L427 PolarHBondContact O-N 3.01Å; L427-A431 WeakPolarHBondContact O-CB 3.3Å; L427-A431 PolarHBondContact O-N 3.46Å; L427-L503 HydrophobicContact CB-CB 4.29Å; L427-L504 HydrophobicContact CD1-CD2 3.69Å; L427-L504 HydrophobicContact CD1-CG 4.46Å; L427-L811 HydrophobicContact CD2-CB 4.07Å; L427-L811 HydrophobicContact CD2-CD1 4.46Å; L427-L811 HydrophobicContact CG-CB 4.4Å; L427-A812 HydrophobicContact CD1-CB 4.41Å; L427-L815 HydrophobicContact CD1-CD1 4.44Å
428	A	92.5	Very high	88.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-43.4	173.8	0	0	0	0	0	111.9	L424 M425 A431 L432 W473 Y474 P490 L493 L503	L424-A428 PolarHBondContact O-N 2.89Å; M425-A428 CarbonylContact O-C 3.59Å; M425-A428 WeakPolarHBondContact O-CA 3.32Å; M425-A428 WeakPolarHBondContact O-CB 3.2Å; M425-A428 PolarHBondContact O-N 2.91Å; A428-A431 PolarHBondContact O-N 2.98Å; A428-L432 WeakPolarHBondContact O-CB 3.39Å; A428-L432 PolarHBondContact O-N 3.01Å; A428-W473 HydrophobicContact CB-CZ3 4.4Å; A428-Y474 HydrophobicContact CB-CE2 4.39Å; A428-P490 HydrophobicContact CB-CB 4.37Å; A428-P490 HydrophobicContact CB-CG 3.89Å; A428-L493 HydrophobicContact CB-CD2 4.06Å; A428-L503 HydrophobicContact CB-CD1 3.93Å; A428-L503 HydrophobicContact CB-CD2 4.41Å
429	D	91.7	Very high	87.7	Confident	61 Å²	61	58.5 Å²	58.5	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-66	-41.3	178.5	-60.9	-17	0	0	0	111.2	M425 Q426 L432 A433 Y474	M425-D429 PolarHBondContact O-N 3.48Å; Q426-D429 PolarHBondContact O-N 2.89Å; D429-L432 PolarHBondContact O-N 2.82Å; D429-A433 VanDerWaalsContact O-CB 3.26Å; D429-A433 WeakPolarHBondContact O-CB 3.3Å; D429-A433 PolarHBondContact O-N 3.45Å; D429-Y474 PolarHBondContact OD1-OH 3.26Å
430	Q	89.2	Confident	87.5	Confident	105 Å²	105	58.4 Å²	58.4	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-43.1	174.8	-77	173.7	0.8	0	0	111.7	Q426 A433 K434 L811	Q426-Q430 WeakPolarHBondContact O-CB 3.37Å; Q426-Q430 WeakPolarHBondContact O-CG 3.26Å; Q426-Q430 PolarHBondContact O-N 3.32Å; Q430-A433 PolarHBondContact O-N 3.16Å; Q430-K434 VanDerWaalsContact O-CB 3.27Å; Q430-K434 WeakPolarHBondContact O-CB 3.48Å; Q430-K434 PolarHBondContact O-N 3.22Å; Q430-L811 VanDerWaalsContact NE2-CD1 3.29Å
431	A	89.1	Confident	87.4	Confident	12 Å²	12	59.7 Å²	59.7	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-44.6	174.7	0	0	0	0	0	111.2	L427 A428 Y435 L447 L503	L427-A431 WeakPolarHBondContact O-CB 3.3Å; L427-A431 PolarHBondContact O-N 3.46Å; A428-A431 PolarHBondContact O-N 2.98Å; A431-Y435 VanDerWaalsContact O-CD2 3.23Å; A431-Y435 WeakPolarHBondContact O-CD2 3.45Å; A431-Y435 PolarHBondContact O-N 2.91Å; A431-L447 HydrophobicContact CB-CD1 3.91Å; A431-L503 HydrophobicContact CB-CD2 4.07Å
432	L	90.9	Very high	87.3	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-49.7	176.3	-179.9	69.7	0	0	0	111.1	A428 D429 K434 Y435 S436 W452 L470 P471 W473 Y474	A428-L432 WeakPolarHBondContact O-CB 3.39Å; A428-L432 PolarHBondContact O-N 3.01Å; D429-L432 PolarHBondContact O-N 2.82Å; L432-K434 VanDerWaalsContact C-N 3.35Å; L432-K434 PolarHBondContact O-N 2.93Å; L432-Y435 PolarHBondContact O-N 2.81Å; L432-S436 WeakPolarHBondContact CD1-OG 3.44Å; L432-S436 WeakPolarHBondContact CG-OG 3.25Å; L432-S436 WeakPolarHBondContact O-CB 3.49Å; L432-S436 PolarHBondContact O-N 3.02Å; L432-S436 PolarHBondContact O-OG 3.28Å; L432-W452 HydrophobicContact CD1-CZ3 4.4Å; L432-L470 HydrophobicContact CD1-CD2 4.46Å; L432-L470 HydrophobicContact CD2-CD2 3.55Å; L432-P471 HydrophobicContact CD1-CG 3.52Å; L432-W473 HydrophobicContact CB-CH2 4.48Å; L432-W473 HydrophobicContact CB-CZ2 4.39Å; L432-W473 HydrophobicContact CD1-CZ2 4.43Å; L432-Y474 HydrophobicContact CB-CD2 4.09Å; L432-Y474 HydrophobicContact CB-CE2 4.12Å; L432-Y474 HydrophobicContact CD1-CD2 4.4Å; L432-Y474 HydrophobicContact CD1-CG 4.43Å; L432-Y474 HydrophobicContact CD2-CD1 4.15Å; L432-Y474 HydrophobicContact CD2-CD2 3.8Å; L432-Y474 HydrophobicContact CD2-CE1 3.97Å; L432-Y474 HydrophobicContact CD2-CE2 3.6Å; L432-Y474 HydrophobicContact CD2-CG 4.05Å; L432-Y474 HydrophobicContact CG-CD2 4.31Å; L432-Y474 HydrophobicContact CG-CE2 4.4Å
433	A	87.8	Confident	87.1	Confident	78 Å²	78	56.4 Å²	56.4	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-62.3	-41.6	-178.2	0	0	0	0	0	112	D429 Q430 Y435	D429-A433 VanDerWaalsContact O-CB 3.26Å; D429-A433 WeakPolarHBondContact O-CB 3.3Å; D429-A433 PolarHBondContact O-N 3.45Å; Q430-A433 PolarHBondContact O-N 3.16Å; A433-Y435 VanDerWaalsContact C-N 3.35Å; A433-Y435 PolarHBondContact O-N 3.18Å
434	K	85.2	Confident	87.1	Confident	112 Å²	112	56.3 Å²	56.3	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-39.4	179.1	-172.9	178	177.9	-161.5	0	112.3	Q430 L432	Q430-K434 VanDerWaalsContact O-CB 3.27Å; Q430-K434 WeakPolarHBondContact O-CB 3.48Å; Q430-K434 PolarHBondContact O-N 3.22Å; L432-K434 VanDerWaalsContact C-N 3.35Å; L432-K434 PolarHBondContact O-N 2.93Å
435	Y	85.9	Confident	87.2	Confident	12 Å²	12	56.7 Å²	56.7	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-113.1	-5.9	-167.3	-62.4	-60.1	0	0	0	115.3	A431 L432 A433 N437 S438 E440 D444 L447 W452	A431-Y435 VanDerWaalsContact O-CD2 3.23Å; A431-Y435 WeakPolarHBondContact O-CD2 3.45Å; A431-Y435 PolarHBondContact O-N 2.91Å; L432-Y435 PolarHBondContact O-N 2.81Å; A433-Y435 VanDerWaalsContact C-N 3.35Å; A433-Y435 PolarHBondContact O-N 3.18Å; Y435-N437 PolarHBondContact O-N 3.28Å; Y435-N437 VanDerWaalsContact O-N 3.1Å; Y435-S438 PolarHBondContact O-N 3.19Å; Y435-E440 HydrophobicContact CD1-CB 3.88Å; Y435-E440 HydrophobicContact CE1-CB 3.71Å; Y435-D444 PolarHBondContact OH-OD2 3.17Å; Y435-L447 HydrophobicContact CD2-CD1 3.91Å; Y435-L447 HydrophobicContact CE2-CD1 3.58Å; Y435-W452 HydrophobicContact CD2-CH2 4.2Å; Y435-W452 HydrophobicContact CD2-CZ2 4.35Å; Y435-W452 HydrophobicContact CG-CH2 4.35Å
436	S	78.9	Confident	87.2	Confident	27 Å²	27	55.1 Å²	55.1	19%	0.189	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.9	-177	-75.2	0	0	0	0	114.8	L432 K454	L432-S436 WeakPolarHBondContact CD1-OG 3.44Å; L432-S436 WeakPolarHBondContact CG-OG 3.25Å; L432-S436 WeakPolarHBondContact O-CB 3.49Å; L432-S436 PolarHBondContact O-N 3.02Å; L432-S436 PolarHBondContact O-OG 3.28Å; S436-K454 PolarHBondContact O-NZ 3.21Å
437	N	78.3	Confident	87.3	Confident	160 Å²	160	52.1 Å²	52.1	86%	0.856	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	1.4	-177.4	-61.7	-26.2	0	0	0	113.1	Y435	Y435-N437 PolarHBondContact O-N 3.28Å; Y435-N437 VanDerWaalsContact O-N 3.1Å
438	S	81.2	Confident	87.3	Confident	34 Å²	34	52 Å²	52	24%	0.238	27%	0.271	C	S	.	.			trans	-131.8	141.1	-176.3	178	0	0	0	0	110.1	Y435 E440 Y441	Y435-S438 PolarHBondContact O-N 3.19Å; S438-E440 PolarHBondContact O-N 3.28Å; S438-E440 WeakPolarHBondContact OG-CB 3.5Å; S438-E440 VanDerWaalsContact OG-CD 3.27Å; S438-E440 WeakPolarHBondContact OG-CG 3.44Å; S438-E440 PolarHBondContact OG-N 2.97Å; S438-E440 VanDerWaalsContact OG-N 3.11Å; S438-E440 PolarHBondContact OG-OE1 2.83Å; S438-Y441 VanDerWaalsContact O-CD1 3.31Å; S438-Y441 WeakPolarHBondContact O-CD1 3.39Å
439	Q	82	Confident	87.1	Confident	130 Å²	130	52.9 Å²	52.9	61%	0.607	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-80.5	7.4	170.6	-66.4	-160.3	-2.1	0	0	112.9	Y441 K442	Q439-Y441 PolarHBondContact O-N 2.91Å; Q439-K442 HydrophobicContact CB-CD 4.38Å; Q439-K442 VanDerWaalsContact O-CB 3.32Å; Q439-K442 WeakPolarHBondContact O-CB 3.3Å; Q439-K442 WeakPolarHBondContact O-CG 3.42Å; Q439-K442 PolarHBondContact O-N 3.38Å
440	E	83.4	Confident	87	Confident	107 Å²	107	51.1 Å²	51.1	50%	0.5	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-55.9	-22.7	177.2	-80.8	165.5	-122.3	0	0	114.1	Y435 S438 K442 N443	Y435-E440 HydrophobicContact CD1-CB 3.88Å; Y435-E440 HydrophobicContact CE1-CB 3.71Å; S438-E440 PolarHBondContact O-N 3.28Å; S438-E440 WeakPolarHBondContact OG-CB 3.5Å; S438-E440 VanDerWaalsContact OG-CD 3.27Å; S438-E440 WeakPolarHBondContact OG-CG 3.44Å; S438-E440 PolarHBondContact OG-N 2.97Å; S438-E440 VanDerWaalsContact OG-N 3.11Å; S438-E440 PolarHBondContact OG-OE1 2.83Å; E440-K442 PolarHBondContact O-N 3.41Å; E440-K442 VanDerWaalsContact O-N 3.13Å; E440-N443 PolarHBondContact O-N 3.11Å
441	Y	86.1	Confident	86.9	Confident	42 Å²	42	48 Å²	48	17%	0.165	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.2	-24.7	175.3	66.3	-94	0	0	0	112.4	S438 Q439 N443 D444 W448 W452	S438-Y441 VanDerWaalsContact O-CD1 3.31Å; S438-Y441 WeakPolarHBondContact O-CD1 3.39Å; Q439-Y441 PolarHBondContact O-N 2.91Å; Y441-N443 PolarHBondContact O-N 2.73Å; Y441-D444 WeakPolarHBondContact O-CB 3.43Å; Y441-D444 PolarHBondContact O-N 2.96Å; Y441-D444 VanDerWaalsContact O-N 3.1Å; Y441-W448 WeakPolarHBondContact O-CA 3.28Å; Y441-W448 PolarHBondContact O-N 3.2Å; Y441-W452 HydrophobicContact CD1-CD2 4.16Å; Y441-W452 HydrophobicContact CD1-CG 4.34Å; Y441-W452 AromaticContact CD2-CD1 3.3Å; Y441-W452 HydrophobicContact CD2-CD2 4.2Å; Y441-W452 AromaticContact CD2-CE2 3.89Å; Y441-W452 AromaticContact CD2-CG 3.88Å; Y441-W452 HydrophobicContact CD2-CG 3.88Å; Y441-W452 AromaticContact CD2-NE1 3.3Å; Y441-W452 VanDerWaalsContact CD2-NE1 3.3Å; Y441-W452 HydrophobicContact CE1-CB 4.33Å; Y441-W452 HydrophobicContact CE1-CD2 4.33Å; Y441-W452 HydrophobicContact CE1-CG 4.14Å; Y441-W452 HydrophobicContact CE2-CB 4.07Å; Y441-W452 AromaticContact CE2-CD1 3.28Å; Y441-W452 HydrophobicContact CE2-CD2 4.39Å; Y441-W452 AromaticContact CE2-CG 3.67Å; Y441-W452 HydrophobicContact CE2-CG 3.67Å; Y441-W452 AromaticContact CE2-NE1 3.82Å; Y441-W452 AromaticContact CG-CD1 3.96Å; Y441-W452 HydrophobicContact CG-CD2 4.09Å; Y441-W452 AromaticContact CG-CE2 3.78Å; Y441-W452 HydrophobicContact CG-CG 4.22Å; Y441-W452 HydrophobicContact CG-CZ2 4.28Å; Y441-W452 AromaticContact CG-NE1 3.67Å; Y441-W452 AromaticContact CZ-CD1 3.91Å; Y441-W452 AromaticContact CZ-CG 3.8Å
442	K	86.5	Confident	86.9	Confident	59 Å²	59	48.6 Å²	48.6	26%	0.257	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.1	-27.2	174.8	-68	-173.6	168.9	-160.9	0	112.3	Q439 E440 D592 P594	Q439-K442 HydrophobicContact CB-CD 4.38Å; Q439-K442 VanDerWaalsContact O-CB 3.32Å; Q439-K442 WeakPolarHBondContact O-CB 3.3Å; Q439-K442 WeakPolarHBondContact O-CG 3.42Å; Q439-K442 PolarHBondContact O-N 3.38Å; E440-K442 PolarHBondContact O-N 3.41Å; E440-K442 VanDerWaalsContact O-N 3.13Å; K442-D592 IonicContact NZ-OD2 3.9Å; K442-D592 PolarHBondContact NZ-OD2 2.8Å; K442-P594 VanDerWaalsContact O-CB 3.29Å; K442-P594 WeakPolarHBondContact O-CB 3.47Å; K442-P594 WeakPolarHBondContact O-CG 3.45Å
443	N	86.9	Confident	86.7	Confident	90 Å²	90	50.6 Å²	50.6	48%	0.481	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-93.1	-2.3	177.5	-65.6	-26.4	0	0	0	113.1	E440 Y441 P445 A597	E440-N443 PolarHBondContact O-N 3.11Å; Y441-N443 PolarHBondContact O-N 2.73Å; N443-P445 WeakPolarHBondContact O-CD 3.45Å; N443-A597 VanDerWaalsContact O-CB 3.3Å; N443-A597 WeakPolarHBondContact O-CB 3.21Å
444	D	89.7	Confident	86.6	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.048	26%	0.257	C	S	.	.			trans	-86.4	117.7	-179.8	-170.8	-52.6	0	0	0	110.2	Y435 Y441 W446 L447 W448	Y435-D444 PolarHBondContact OH-OD2 3.17Å; Y441-D444 WeakPolarHBondContact O-CB 3.43Å; Y441-D444 PolarHBondContact O-N 2.96Å; Y441-D444 VanDerWaalsContact O-N 3.1Å; D444-W446 PolarHBondContact O-N 2.75Å; D444-W446 PolarHBondContact OD1-N 3.28Å; D444-L447 HydrophobicContact CB-CB 4.25Å; D444-L447 PolarHBondContact O-N 3.01Å; D444-L447 PolarHBondContact OD1-N 2.88Å; D444-W448 PolarHBondContact O-N 3Å
445	P	91.4	Very high	86.5	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.058	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.6	-176.9	-28.4	35.5	0	0	0	115.2	N443 W448 P512 A597 Y598 Y601	N443-P445 WeakPolarHBondContact O-CD 3.45Å; P445-W448 VanDerWaalsContact O-CD1 3.29Å; P445-W448 PolarHBondContact O-NE1 2.58Å; P445-P512 HydrophobicContact CB-CB 3.93Å; P445-P512 HydrophobicContact CB-CG 4.07Å; P445-P512 HydrophobicContact CG-CG 4.38Å; P445-A597 HydrophobicContact CG-CB 3.8Å; P445-Y598 HydrophobicContact CB-CD2 4.19Å; P445-Y598 HydrophobicContact CB-CE1 4.47Å; P445-Y598 HydrophobicContact CB-CE2 3.7Å; P445-Y598 PolarHBondContact O-OH 2.92Å; P445-Y601 HydrophobicContact CG-CD2 4.49Å; P445-Y601 HydrophobicContact CG-CE2 4.13Å
446	W	93.2	Very high	85.9	Confident	7 Å²	7	57 Å²	57	3%	0.027	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-25.5	-175.1	-62.6	-84.7	0	0	0	113.9	D444 K502 K505 L506 P512 Y601 A788	D444-W446 PolarHBondContact O-N 2.75Å; D444-W446 PolarHBondContact OD1-N 3.28Å; W446-K502 HydrophobicContact CB-CB 4.08Å; W446-K502 WeakPolarHBondContact CB-O 3.41Å; W446-K502 VanDerWaalsContact O-CD 3.26Å; W446-K502 WeakPolarHBondContact O-CD 3.37Å; W446-K502 WeakPolarHBondContact O-CG 3.38Å; W446-K505 HydrophobicContact CD2-CB 3.79Å; W446-K505 HydrophobicContact CD2-CG 3.92Å; W446-K505 VanDerWaalsContact CE2-C 3.47Å; W446-K505 VanDerWaalsContact CE2-CA 3.49Å; W446-K505 HydrophobicContact CE3-CB 3.89Å; W446-K505 HydrophobicContact CE3-CD 4.05Å; W446-K505 HydrophobicContact CE3-CG 3.73Å; W446-K505 HydrophobicContact CG-CB 4.42Å; W446-K505 HydrophobicContact CG-CG 4.4Å; W446-K505 HydrophobicContact CH2-CB 4.08Å; W446-K505 HydrophobicContact CZ2-CB 3.95Å; W446-K505 WeakPolarHBondContact CZ2-O 3.42Å; W446-K505 HydrophobicContact CZ3-CB 4.04Å; W446-K505 HydrophobicContact CZ3-CD 4.08Å; W446-K505 HydrophobicContact CZ3-CG 4.15Å; W446-K505 VanDerWaalsContact NE1-C 3.35Å; W446-L506 PolarHBondContact NE1-O 3.29Å; W446-P512 HydrophobicContact CH2-CB 4.38Å; W446-P512 HydrophobicContact CH2-CG 4.26Å; W446-P512 HydrophobicContact CZ2-CB 3.71Å; W446-P512 HydrophobicContact CZ2-CG 4.01Å; W446-Y601 HydrophobicContact CH2-CE1 4.18Å; W446-Y601 HydrophobicContact CH2-CE2 4.1Å; W446-Y601 AromaticContact CH2-CZ 3.62Å; W446-Y601 WeakPolarHBondContact CH2-OH 3.28Å; W446-Y601 HydrophobicContact CZ3-CE2 4.46Å; W446-A788 HydrophobicContact CH2-CB 3.4Å; W446-A788 HydrophobicContact CZ2-CB 3.84Å; W446-A788 HydrophobicContact CZ3-CB 4.21Å
447	L	92.3	Very high	85.3	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-8.4	-168.3	-54.4	-179.8	0	0	0	114.9	A431 Y435 D444 D449 L450 W452 K502 L503	A431-L447 HydrophobicContact CB-CD1 3.91Å; Y435-L447 HydrophobicContact CD2-CD1 3.91Å; Y435-L447 HydrophobicContact CE2-CD1 3.58Å; D444-L447 HydrophobicContact CB-CB 4.25Å; D444-L447 PolarHBondContact O-N 3.01Å; D444-L447 PolarHBondContact OD1-N 2.88Å; L447-D449 PolarHBondContact O-N 3.4Å; L447-L450 HydrophobicContact CB-CD1 4.3Å; L447-L450 HydrophobicContact CD2-CD1 3.66Å; L447-L450 PolarHBondContact O-N 2.93Å; L447-W452 HydrophobicContact CB-CZ2 4.4Å; L447-W452 PolarHBondContact O-NE1 3.45Å; L447-W452 VanDerWaalsContact O-NE1 3.1Å; L447-K502 HydrophobicContact CD2-CB 4.38Å; L447-L503 HydrophobicContact CD2-CD2 4.33Å
448	W	90.7	Very high	84.4	Confident	17 Å²	17	61.8 Å²	61.8	6%	0.064	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.3	-176.8	70.9	-88.8	0	0	0	114.1	Y441 D444 P445 V580 L591 F593 P594	Y441-W448 WeakPolarHBondContact O-CA 3.28Å; Y441-W448 PolarHBondContact O-N 3.2Å; D444-W448 PolarHBondContact O-N 3Å; P445-W448 VanDerWaalsContact O-CD1 3.29Å; P445-W448 PolarHBondContact O-NE1 2.58Å; W448-V580 HydrophobicContact CH2-CG2 3.76Å; W448-V580 HydrophobicContact CZ3-CG2 3.59Å; W448-L591 HydrophobicContact CE3-CB 4.25Å; W448-L591 HydrophobicContact CZ3-CB 3.83Å; W448-L591 HydrophobicContact CZ3-CD1 4.15Å; W448-F593 AromaticContact CE2-CD2 3.85Å; W448-F593 HydrophobicContact CH2-CB 4.33Å; W448-F593 AromaticContact CH2-CD2 3.96Å; W448-F593 HydrophobicContact CH2-CD2 3.96Å; W448-F593 AromaticContact CZ2-CD2 3.54Å; W448-F593 HydrophobicContact CZ2-CD2 3.54Å; W448-F593 HydrophobicContact CZ2-CE2 4.18Å; W448-F593 HydrophobicContact CZ3-CB 4.36Å; W448-P594 HydrophobicContact CB-CG 4.09Å; W448-P594 HydrophobicContact CD2-CG 4.46Å; W448-P594 VanDerWaalsContact CG-CD 3.48Å; W448-P594 HydrophobicContact CG-CG 3.84Å
449	D	88.1	Confident	83.7	Confident	17 Å²	17	63 Å²	63	9%	0.091	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	12	-176.2	77.4	-43.4	0	0	0	114	L447 K502 K582 L591	L447-D449 PolarHBondContact O-N 3.4Å; D449-K502 IonicContact OD1-NZ 2.93Å; D449-K502 PolarHBondContact OD1-NZ 2.9Å; D449-K502 IonicContact OD2-NZ 3.05Å; D449-K502 PolarHBondContact OD2-NZ 3.46Å; D449-K582 PolarHBondContact O-NZ 3.2Å; D449-K582 IonicContact OD2-NZ 3.74Å; D449-K582 PolarHBondContact OD2-NZ 3.07Å; D449-K582 VanDerWaalsContact OD2-NZ 3.12Å; D449-L591 HydrophobicContact CB-CD1 4.29Å
450	L	89.6	Confident	83.2	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.131	32%	0.32	C	S	.	.	S	Bend	trans	-82.1	152.6	172.1	-60	-177.6	0	0	0	111.1	L447 W452 W473 I499 K502	L447-L450 HydrophobicContact CB-CD1 4.3Å; L447-L450 HydrophobicContact CD2-CD1 3.66Å; L447-L450 PolarHBondContact O-N 2.93Å; L450-W452 PolarHBondContact O-N 3.21Å; L450-W452 VanDerWaalsContact O-N 3.09Å; L450-W473 HydrophobicContact CB-CB 4.25Å; L450-W473 HydrophobicContact CB-CG 4.09Å; L450-W473 HydrophobicContact CD1-CD2 4.19Å; L450-W473 HydrophobicContact CD1-CG 4.31Å; L450-I499 HydrophobicContact CD1-CD1 3.98Å; L450-I499 HydrophobicContact CD1-CG1 4.35Å; L450-I499 HydrophobicContact CD2-CD1 4.22Å; L450-I499 HydrophobicContact CD2-CG1 4.31Å; L450-K502 HydrophobicContact CD2-CD 4.29Å
451	D	88	Confident	83.1	Confident	38 Å²	38	64 Å²	64	20%	0.203	32%	0.317	C	S	.	.			trans	-81.2	91.8	179	-171	-26.3	0	0	0	110.4	S453 K472 W473	D451-S453 PolarHBondContact O-N 3.47Å; D451-S453 WeakPolarHBondContact OD1-CB 3.37Å; D451-S453 PolarHBondContact OD1-N 3.39Å; D451-S453 PolarHBondContact OD1-OG 3.17Å; D451-K472 HydrophobicContact CB-CB 4.35Å; D451-K472 HydrophobicContact CB-CD 4.11Å; D451-K472 VanDerWaalsContact CG-CD 3.42Å; D451-K472 PolarHBondContact O-N 3.44Å; D451-K472 WeakPolarHBondContact OD2-CD 3.33Å; D451-K472 WeakPolarHBondContact OD2-CE 3.15Å; D451-K472 IonicContact OD2-NZ 2.61Å; D451-K472 PolarHBondContact OD2-NZ 2.76Å; D451-W473 VanDerWaalsContact O-CD1 3.28Å; D451-W473 PolarHBondContact O-N 2.77Å
452	W	88.5	Confident	82.8	Confident	26 Å²	26	68.1 Å²	68.1	10%	0.098	34%	0.337	C	S	.	.			trans	-81	7.5	178.4	-69.9	92	0	0	0	113.7	L432 Y435 Y441 L447 L450 P471 W473	L432-W452 HydrophobicContact CD1-CZ3 4.4Å; Y435-W452 HydrophobicContact CD2-CH2 4.2Å; Y435-W452 HydrophobicContact CD2-CZ2 4.35Å; Y435-W452 HydrophobicContact CG-CH2 4.35Å; Y441-W452 HydrophobicContact CD1-CD2 4.16Å; Y441-W452 HydrophobicContact CD1-CG 4.34Å; Y441-W452 AromaticContact CD2-CD1 3.3Å; Y441-W452 HydrophobicContact CD2-CD2 4.2Å; Y441-W452 AromaticContact CD2-CE2 3.89Å; Y441-W452 AromaticContact CD2-CG 3.88Å; Y441-W452 HydrophobicContact CD2-CG 3.88Å; Y441-W452 AromaticContact CD2-NE1 3.3Å; Y441-W452 VanDerWaalsContact CD2-NE1 3.3Å; Y441-W452 HydrophobicContact CE1-CB 4.33Å; Y441-W452 HydrophobicContact CE1-CD2 4.33Å; Y441-W452 HydrophobicContact CE1-CG 4.14Å; Y441-W452 HydrophobicContact CE2-CB 4.07Å; Y441-W452 AromaticContact CE2-CD1 3.28Å; Y441-W452 HydrophobicContact CE2-CD2 4.39Å; Y441-W452 AromaticContact CE2-CG 3.67Å; Y441-W452 HydrophobicContact CE2-CG 3.67Å; Y441-W452 AromaticContact CE2-NE1 3.82Å; Y441-W452 AromaticContact CG-CD1 3.96Å; Y441-W452 HydrophobicContact CG-CD2 4.09Å; Y441-W452 AromaticContact CG-CE2 3.78Å; Y441-W452 HydrophobicContact CG-CG 4.22Å; Y441-W452 HydrophobicContact CG-CZ2 4.28Å; Y441-W452 AromaticContact CG-NE1 3.67Å; Y441-W452 AromaticContact CZ-CD1 3.91Å; Y441-W452 AromaticContact CZ-CG 3.8Å; L447-W452 HydrophobicContact CB-CZ2 4.4Å; L447-W452 PolarHBondContact O-NE1 3.45Å; L447-W452 VanDerWaalsContact O-NE1 3.1Å; L450-W452 PolarHBondContact O-N 3.21Å; L450-W452 VanDerWaalsContact O-N 3.09Å; W452-P471 HydrophobicContact CB-CB 4.48Å; W452-P471 HydrophobicContact CE3-CB 3.98Å; W452-P471 HydrophobicContact CE3-CG 3.86Å; W452-P471 HydrophobicContact CZ3-CG 4.08Å; W452-W473 AromaticContact CD2-CD1 3.87Å; W452-W473 AromaticContact CD2-NE1 3.32Å; W452-W473 VanDerWaalsContact CD2-NE1 3.32Å; W452-W473 AromaticContact CE2-NE1 3.4Å; W452-W473 AromaticContact CE3-NE1 3.34Å; W452-W473 VanDerWaalsContact CE3-NE1 3.34Å; W452-W473 AromaticContact CH2-CE2 3.84Å; W452-W473 AromaticContact CH2-CZ2 3.58Å; W452-W473 HydrophobicContact CH2-CZ2 3.58Å; W452-W473 AromaticContact CH2-NE1 3.52Å; W452-W473 AromaticContact CZ2-CE2 3.99Å; W452-W473 HydrophobicContact CZ2-CZ2 4.04Å; W452-W473 AromaticContact CZ2-NE1 3.51Å; W452-W473 AromaticContact CZ3-CZ2 3.96Å; W452-W473 HydrophobicContact CZ3-CZ2 3.96Å; W452-W473 AromaticContact CZ3-NE1 3.44Å
453	S	86.4	Confident	82.5	Confident	58 Å²	58	68 Å²	68	41%	0.406	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-65.6	137.5	-179.3	71.1	0	0	0	0	112.2	D451 P471 K472	D451-S453 PolarHBondContact O-N 3.47Å; D451-S453 WeakPolarHBondContact OD1-CB 3.37Å; D451-S453 PolarHBondContact OD1-N 3.39Å; D451-S453 PolarHBondContact OD1-OG 3.17Å; S453-P471 CarbonylContact O-C 3.51Å; S453-P471 WeakPolarHBondContact O-CA 3.16Å; S453-K472 PolarHBondContact O-N 3.19Å
454	K	85.9	Confident	82.1	Confident	95 Å²	95	64.6 Å²	64.6	41%	0.413	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-101.4	141.3	177.6	-65.7	179.3	-173.5	177.2	0	109.9	S436 R469	S436-K454 PolarHBondContact O-NZ 3.21Å; K454-R469 VanDerWaalsContact CE-O 3.3Å; K454-R469 WeakPolarHBondContact CE-O 3.16Å
455	P	83.1	Confident	81.7	Confident	28 Å²	28	68.4 Å²	68.4	18%	0.182	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-69.7	136.9	-177.1	30	-34.5	0	0	0	111.5	V457	P455-V457 HydrophobicContact CB-CG2 4.36Å; P455-V457 PolarHBondContact O-N 3.32Å
456	K	73.8	Confident	81.3	Confident	213 Å²	213	72.4 Å²	72.4	93%	0.926	36%	0.357	S	S	*	.			trans	-80.3	16.5	-178	-61.6	-176.4	179.2	179.7	0	114.6
457	V	66	Low	80.9	Confident	98 Å²	98	72.9 Å²	72.9	59%	0.594	36%	0.361	S	S	*	.			trans	-73.4	137.2	-168.6	-178.7	0	0	0	0	110.9	P455 C459	P455-V457 HydrophobicContact CB-CG2 4.36Å; P455-V457 PolarHBondContact O-N 3.32Å; V457-C459 PolarHBondContact O-N 3.32Å
458	K	60	Low	80.5	Confident	190 Å²	190	74.1 Å²	74.1	83%	0.826	37%	0.37	S	S	*	.			trans	-63.9	113.9	171.7	-72	-175.6	177.4	-177.3	0	109.6	K460	K458-K460 PolarHBondContact O-N 3.05Å
459	C	66	Low	80.2	Confident	59 Å²	59	80.9 Å²	80.9	40%	0.399	40%	0.395	S	S	.	.			trans	-65	121.1	179.9	-56.5	0	0	0	0	110.7	V457 D464 E465	V457-C459 PolarHBondContact O-N 3.32Å; C459-D464 HydrophobicContact CB-CB 4.24Å; C459-E465 HydrophobicContact CB-CG 3.58Å
460	K	72.4	Confident	80.3	Confident	188 Å²	188	81.3 Å²	81.3	82%	0.817	40%	0.398	S	S	*	.			trans	-107.8	-19	175.4	-66.2	-174.6	179.8	-176.4	0	112.7	K458 D464	K458-K460 PolarHBondContact O-N 3.05Å; K460-D464 PolarHBondContact N-OD2 3.2Å
461	T	81	Confident	80.4	Confident	72 Å²	72	80.2 Å²	80.2	44%	0.442	39%	0.392	S	S	.	.	S	Bend	trans	-137	160.6	-177.7	62.1	0	0	0	0	110.3	V463 D464 E465	T461-V463 PolarHBondContact O-N 3.38Å; T461-D464 PolarHBondContact N-OD2 3.09Å; T461-D464 WeakPolarHBondContact O-CB 3.34Å; T461-D464 PolarHBondContact O-N 3.13Å; T461-D464 PolarHBondContact OG1-N 3.2Å; T461-D464 PolarHBondContact OG1-OD2 3.31Å; T461-E465 PolarHBondContact O-N 3.42Å; T461-E465 VanDerWaalsContact O-N 3.1Å
462	E	78.9	Confident	80.5	Confident	128 Å²	128	82 Å²	82	60%	0.598	40%	0.398	S	S	*	.	H	α-helix	trans	-58.1	-34.6	175.1	-166.1	-165.8	144.8	0	0	111.9	E465 K466	E462-E465 WeakPolarHBondContact O-CB 3.46Å; E462-E465 PolarHBondContact O-N 3.32Å; E462-K466 PolarHBondContact O-N 3.47Å; E462-K466 WeakPolarHBondContact OE1-CE 3.15Å; E462-K466 IonicContact OE1-NZ 3.13Å; E462-K466 PolarHBondContact OE1-NZ 2.91Å
463	V	79.7	Confident	80.6	Confident	56 Å²	56	81.4 Å²	81.4	34%	0.339	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175	-178.9	0	0	0	0	110.9	T461 E465 K466 V467 K483 L486	T461-V463 PolarHBondContact O-N 3.38Å; V463-E465 VanDerWaalsContact C-N 3.3Å; V463-E465 PolarHBondContact O-N 3.01Å; V463-K466 PolarHBondContact O-N 3.36Å; V463-V467 HydrophobicContact CG1-CG2 4.43Å; V463-V467 VanDerWaalsContact O-CG2 3.29Å; V463-V467 WeakPolarHBondContact O-CG2 3.35Å; V463-V467 PolarHBondContact O-N 2.95Å; V463-K483 HydrophobicContact CG1-CB 3.97Å; V463-K483 HydrophobicContact CG1-CG 4.45Å; V463-K483 WeakPolarHBondContact CG1-O 3.43Å; V463-L486 HydrophobicContact CG1-CD2 4.41Å
464	D	78.7	Confident	81	Confident	19 Å²	19	79.6 Å²	79.6	10%	0.102	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-38.6	175.1	-63.4	-44.3	0	0	0	111.7	C459 K460 T461 V467 S468 K483	C459-D464 HydrophobicContact CB-CB 4.24Å; K460-D464 PolarHBondContact N-OD2 3.2Å; T461-D464 PolarHBondContact N-OD2 3.09Å; T461-D464 WeakPolarHBondContact O-CB 3.34Å; T461-D464 PolarHBondContact O-N 3.13Å; T461-D464 PolarHBondContact OG1-N 3.2Å; T461-D464 PolarHBondContact OG1-OD2 3.31Å; D464-V467 PolarHBondContact O-N 2.98Å; D464-S468 WeakPolarHBondContact O-CB 3.46Å; D464-S468 PolarHBondContact O-N 3.4Å; D464-K483 WeakPolarHBondContact OD1-CE 3.39Å; D464-K483 IonicContact OD1-NZ 2.9Å; D464-K483 PolarHBondContact OD1-NZ 2.84Å
465	E	81.6	Confident	81.3	Confident	88 Å²	88	77.7 Å²	77.7	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-47.4	175.2	-70.3	-170.2	-178.5	0	0	111.9	C459 T461 E462 V463 V467 S468 R469	C459-E465 HydrophobicContact CB-CG 3.58Å; T461-E465 PolarHBondContact O-N 3.42Å; T461-E465 VanDerWaalsContact O-N 3.1Å; E462-E465 WeakPolarHBondContact O-CB 3.46Å; E462-E465 PolarHBondContact O-N 3.32Å; V463-E465 VanDerWaalsContact C-N 3.3Å; V463-E465 PolarHBondContact O-N 3.01Å; E465-V467 PolarHBondContact O-N 3.2Å; E465-S468 WeakPolarHBondContact O-CB 3.39Å; E465-S468 PolarHBondContact O-N 2.72Å; E465-S468 PolarHBondContact O-OG 2.72Å; E465-R469 WeakPolarHBondContact O-CG 3.49Å; E465-R469 PolarHBondContact O-N 3.33Å; E465-R469 IonicContact OE2-NH2 2.66Å
466	K	83.4	Confident	81.7	Confident	94 Å²	94	81.1 Å²	81.1	41%	0.409	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-43.4	178.5	-67.4	175.8	-176.2	163.4	0	111.2	E462 V463 S468 R469 L486	E462-K466 PolarHBondContact O-N 3.47Å; E462-K466 WeakPolarHBondContact OE1-CE 3.15Å; E462-K466 IonicContact OE1-NZ 3.13Å; E462-K466 PolarHBondContact OE1-NZ 2.91Å; V463-K466 PolarHBondContact O-N 3.36Å; K466-S468 VanDerWaalsContact C-N 3.28Å; K466-S468 PolarHBondContact O-N 3.28Å; K466-R469 PolarHBondContact O-N 3.44Å; K466-L486 HydrophobicContact CB-CD2 3.48Å; K466-L486 VanDerWaalsContact CB-CD2 3.48Å; K466-L486 HydrophobicContact CD-CD2 3.99Å; K466-L486 HydrophobicContact CG-CD2 4.36Å
467	V	84.3	Confident	82.6	Confident	16 Å²	16	71.2 Å²	71.2	10%	0.097	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-35.8	175.4	173.2	0	0	0	0	111.6	V463 D464 E465 R469 L470 V482 L486	V463-V467 HydrophobicContact CG1-CG2 4.43Å; V463-V467 VanDerWaalsContact O-CG2 3.29Å; V463-V467 WeakPolarHBondContact O-CG2 3.35Å; V463-V467 PolarHBondContact O-N 2.95Å; D464-V467 PolarHBondContact O-N 2.98Å; E465-V467 PolarHBondContact O-N 3.2Å; V467-R469 PolarHBondContact O-N 2.98Å; V467-L470 PolarHBondContact O-N 2.81Å; V467-V482 HydrophobicContact CG2-CG1 4.4Å; V467-L486 HydrophobicContact CG2-CD1 3.91Å; V467-L486 HydrophobicContact CG2-CD2 4.31Å
468	S	84.5	Confident	83.9	Confident	31 Å²	31	66.7 Å²	66.7	22%	0.217	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-25	178.6	81.1	0	0	0	0	113.9	D464 E465 K466	D464-S468 WeakPolarHBondContact O-CB 3.46Å; D464-S468 PolarHBondContact O-N 3.4Å; E465-S468 WeakPolarHBondContact O-CB 3.39Å; E465-S468 PolarHBondContact O-N 2.72Å; E465-S468 PolarHBondContact O-OG 2.72Å; K466-S468 VanDerWaalsContact C-N 3.28Å; K466-S468 PolarHBondContact O-N 3.28Å
469	R	85.2	Confident	85.5	Confident	160 Å²	160	59 Å²	59	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-81.9	-18.5	179.6	-65.3	176.6	-168.5	-175.8	6.5	112.8	K454 E465 K466 V467	K454-R469 VanDerWaalsContact CE-O 3.3Å; K454-R469 WeakPolarHBondContact CE-O 3.16Å; E465-R469 WeakPolarHBondContact O-CG 3.49Å; E465-R469 PolarHBondContact O-N 3.33Å; E465-R469 IonicContact OE2-NH2 2.66Å; K466-R469 PolarHBondContact O-N 3.44Å; V467-R469 PolarHBondContact O-N 2.98Å
470	L	89.3	Confident	86.6	Confident	26 Å²	26	64.9 Å²	64.9	14%	0.136	31%	0.305	C	S	.	.	S	Bend	trans	-87.2	131.3	-175	-62.7	178.2	0	0	0	112.3	L432 V467 Y474 R475 I478 L486	L432-L470 HydrophobicContact CD1-CD2 4.46Å; L432-L470 HydrophobicContact CD2-CD2 3.55Å; V467-L470 PolarHBondContact O-N 2.81Å; L470-Y474 HydrophobicContact CD1-CD1 4.12Å; L470-Y474 HydrophobicContact CD1-CE1 4.16Å; L470-Y474 HydrophobicContact CD2-CD1 4.04Å; L470-Y474 HydrophobicContact CD2-CE1 4.09Å; L470-Y474 HydrophobicContact CG-CD1 4.48Å; L470-R475 HydrophobicContact CB-CG 3.62Å; L470-R475 HydrophobicContact CD1-CG 4.4Å; L470-R475 PolarHBondContact O-NE 3.23Å; L470-I478 HydrophobicContact CD1-CD1 3.89Å; L470-L486 HydrophobicContact CD1-CD1 3.55Å
471	P	91.4	Very high	87.5	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	29%	0.289	C	S	.	.			trans	-66.7	154.6	174.1	29.2	-33.4	0	0	0	111.1	L432 W452 S453 W473 Y474 R475	L432-P471 HydrophobicContact CD1-CG 3.52Å; W452-P471 HydrophobicContact CB-CB 4.48Å; W452-P471 HydrophobicContact CE3-CB 3.98Å; W452-P471 HydrophobicContact CE3-CG 3.86Å; W452-P471 HydrophobicContact CZ3-CG 4.08Å; S453-P471 CarbonylContact O-C 3.51Å; S453-P471 WeakPolarHBondContact O-CA 3.16Å; P471-W473 HydrophobicContact CG-CZ2 4.42Å; P471-W473 PolarHBondContact O-N 2.93Å; P471-Y474 PolarHBondContact O-N 3.48Å; P471-R475 WeakPolarHBondContact O-CG 3.12Å; P471-R475 PolarHBondContact O-N 3.24Å
472	K	90	Very high	87.7	Confident	76 Å²	76	57.6 Å²	57.6	33%	0.33	28%	0.277	S	S	.	.	H	α-helix	trans	-57.1	-44.7	-177.8	-170.7	-162.3	-178	177.1	0	112.9	D451 S453 Y474 R475 D476	D451-K472 HydrophobicContact CB-CB 4.35Å; D451-K472 HydrophobicContact CB-CD 4.11Å; D451-K472 VanDerWaalsContact CG-CD 3.42Å; D451-K472 PolarHBondContact O-N 3.44Å; D451-K472 WeakPolarHBondContact OD2-CD 3.33Å; D451-K472 WeakPolarHBondContact OD2-CE 3.15Å; D451-K472 IonicContact OD2-NZ 2.61Å; D451-K472 PolarHBondContact OD2-NZ 2.76Å; S453-K472 PolarHBondContact O-N 3.19Å; K472-Y474 PolarHBondContact O-N 2.9Å; K472-Y474 VanDerWaalsContact O-N 3.14Å; K472-R475 PolarHBondContact O-N 2.48Å; K472-R475 VanDerWaalsContact O-N 3.13Å; K472-D476 VanDerWaalsContact O-CG 3.3Å; K472-D476 PolarHBondContact O-N 2.77Å
473	W	91.4	Very high	88	Confident	14 Å²	14	56.7 Å²	56.7	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-56	-35.1	-179.8	73.9	-102.6	0	0	0	112.9	A428 L432 L450 D451 W452 P471 L477 I499	A428-W473 HydrophobicContact CB-CZ3 4.4Å; L432-W473 HydrophobicContact CB-CH2 4.48Å; L432-W473 HydrophobicContact CB-CZ2 4.39Å; L432-W473 HydrophobicContact CD1-CZ2 4.43Å; L450-W473 HydrophobicContact CB-CB 4.25Å; L450-W473 HydrophobicContact CB-CG 4.09Å; L450-W473 HydrophobicContact CD1-CD2 4.19Å; L450-W473 HydrophobicContact CD1-CG 4.31Å; D451-W473 VanDerWaalsContact O-CD1 3.28Å; D451-W473 PolarHBondContact O-N 2.77Å; W452-W473 AromaticContact CD2-CD1 3.87Å; W452-W473 AromaticContact CD2-NE1 3.32Å; W452-W473 VanDerWaalsContact CD2-NE1 3.32Å; W452-W473 AromaticContact CE2-NE1 3.4Å; W452-W473 AromaticContact CE3-NE1 3.34Å; W452-W473 VanDerWaalsContact CE3-NE1 3.34Å; W452-W473 AromaticContact CH2-CE2 3.84Å; W452-W473 AromaticContact CH2-CZ2 3.58Å; W452-W473 HydrophobicContact CH2-CZ2 3.58Å; W452-W473 AromaticContact CH2-NE1 3.52Å; W452-W473 AromaticContact CZ2-CE2 3.99Å; W452-W473 HydrophobicContact CZ2-CZ2 4.04Å; W452-W473 AromaticContact CZ2-NE1 3.51Å; W452-W473 AromaticContact CZ3-CZ2 3.96Å; W452-W473 HydrophobicContact CZ3-CZ2 3.96Å; W452-W473 AromaticContact CZ3-NE1 3.44Å; P471-W473 HydrophobicContact CG-CZ2 4.42Å; P471-W473 PolarHBondContact O-N 2.93Å; W473-L477 HydrophobicContact CE3-CD1 4.15Å; W473-L477 HydrophobicContact CZ3-CD1 4.08Å; W473-L477 WeakPolarHBondContact O-CG 3.33Å; W473-I499 HydrophobicContact CD2-CD1 4.38Å; W473-I499 HydrophobicContact CE3-CD1 3.51Å; W473-I499 HydrophobicContact CZ3-CD1 3.94Å
474	Y	94.3	Very high	88.4	Confident	19 Å²	19	60.1 Å²	60.1	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-80.8	-41.3	179.8	-173.5	-82.7	0	0	0	110.9	A428 D429 L432 L470 P471 K472 D476 L477 I478 P490	A428-Y474 HydrophobicContact CB-CE2 4.39Å; D429-Y474 PolarHBondContact OD1-OH 3.26Å; L432-Y474 HydrophobicContact CB-CD2 4.09Å; L432-Y474 HydrophobicContact CB-CE2 4.12Å; L432-Y474 HydrophobicContact CD1-CD2 4.4Å; L432-Y474 HydrophobicContact CD1-CG 4.43Å; L432-Y474 HydrophobicContact CD2-CD1 4.15Å; L432-Y474 HydrophobicContact CD2-CD2 3.8Å; L432-Y474 HydrophobicContact CD2-CE1 3.97Å; L432-Y474 HydrophobicContact CD2-CE2 3.6Å; L432-Y474 HydrophobicContact CD2-CG 4.05Å; L432-Y474 HydrophobicContact CG-CD2 4.31Å; L432-Y474 HydrophobicContact CG-CE2 4.4Å; L470-Y474 HydrophobicContact CD1-CD1 4.12Å; L470-Y474 HydrophobicContact CD1-CE1 4.16Å; L470-Y474 HydrophobicContact CD2-CD1 4.04Å; L470-Y474 HydrophobicContact CD2-CE1 4.09Å; L470-Y474 HydrophobicContact CG-CD1 4.48Å; P471-Y474 PolarHBondContact O-N 3.48Å; K472-Y474 PolarHBondContact O-N 2.9Å; K472-Y474 VanDerWaalsContact O-N 3.14Å; Y474-D476 PolarHBondContact O-N 2.67Å; Y474-L477 WeakPolarHBondContact O-CB 3.25Å; Y474-L477 PolarHBondContact O-N 2.83Å; Y474-I478 HydrophobicContact CD1-CD1 4.14Å; Y474-I478 HydrophobicContact CD1-CG1 4.45Å; Y474-I478 HydrophobicContact CE1-CD1 4.05Å; Y474-I478 HydrophobicContact CE1-CG1 4.41Å; Y474-P490 HydrophobicContact CE2-CB 4.2Å; Y474-P490 HydrophobicContact CE2-CG 3.9Å; Y474-P490 WeakPolarHBondContact OH-CD 3.44Å
475	R	92.1	Very high	88.9	Confident	55 Å²	55	61.4 Å²	61.4	21%	0.208	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-34.7	175.3	-68.8	-172	-64.2	143.4	2.7	112.5	L470 P471 K472 L477 I478	L470-R475 HydrophobicContact CB-CG 3.62Å; L470-R475 HydrophobicContact CD1-CG 4.4Å; L470-R475 PolarHBondContact O-NE 3.23Å; P471-R475 WeakPolarHBondContact O-CG 3.12Å; P471-R475 PolarHBondContact O-N 3.24Å; K472-R475 PolarHBondContact O-N 2.48Å; K472-R475 VanDerWaalsContact O-N 3.13Å; R475-L477 PolarHBondContact O-N 3.41Å; R475-I478 PolarHBondContact O-N 3.41Å; R475-I478 VanDerWaalsContact O-N 3.09Å
476	D	91.9	Very high	89.1	Confident	100 Å²	100	58.5 Å²	58.5	54%	0.535	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.8	176.2	-70.7	-16.6	0	0	0	113	K472 Y474	K472-D476 VanDerWaalsContact O-CG 3.3Å; K472-D476 PolarHBondContact O-N 2.77Å; Y474-D476 PolarHBondContact O-N 2.67Å
477	L	93.4	Very high	89.2	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.3	175.3	-56.3	177	0	0	0	113.3	W473 Y474 R475 P490 A491 L492 L493 M497 I499	W473-L477 HydrophobicContact CE3-CD1 4.15Å; W473-L477 HydrophobicContact CZ3-CD1 4.08Å; W473-L477 WeakPolarHBondContact O-CG 3.33Å; Y474-L477 WeakPolarHBondContact O-CB 3.25Å; Y474-L477 PolarHBondContact O-N 2.83Å; R475-L477 PolarHBondContact O-N 3.41Å; L477-P490 HydrophobicContact CB-CB 3.61Å; L477-P490 HydrophobicContact CD1-CB 4Å; L477-P490 HydrophobicContact CG-CB 4.47Å; L477-P490 CarbonylContact O-C 3.5Å; L477-P490 WeakPolarHBondContact O-CA 3.08Å; L477-A491 PolarHBondContact O-N 2.92Å; L477-L492 VanDerWaalsContact O-CB 3.26Å; L477-L492 WeakPolarHBondContact O-CB 3.25Å; L477-L492 WeakPolarHBondContact O-CG 3.35Å; L477-L492 PolarHBondContact O-N 3.39Å; L477-L493 HydrophobicContact CD1-CD1 4.24Å; L477-L493 HydrophobicContact CD2-CD1 4.3Å; L477-M497 HydrophobicContact CD2-CE 3.41Å; L477-M497 VanDerWaalsContact CD2-CE 3.41Å; L477-M497 HydrophobicContact CD2-SD 4.12Å; L477-I499 HydrophobicContact CD1-CD1 4.33Å; L477-I499 HydrophobicContact CD2-CG2 4.48Å
478	I	93.1	Very high	89.3	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	32%	0.317	C	S	.	.	S	Bend	trans	-90.8	134.1	177.6	-54.1	-178.7	0	0	0	108.9	L470 Y474 R475 V482 N485 L486	L470-I478 HydrophobicContact CD1-CD1 3.89Å; Y474-I478 HydrophobicContact CD1-CD1 4.14Å; Y474-I478 HydrophobicContact CD1-CG1 4.45Å; Y474-I478 HydrophobicContact CE1-CD1 4.05Å; Y474-I478 HydrophobicContact CE1-CG1 4.41Å; R475-I478 PolarHBondContact O-N 3.41Å; R475-I478 VanDerWaalsContact O-N 3.09Å; I478-V482 HydrophobicContact CB-CG1 4.2Å; I478-V482 HydrophobicContact CB-CG2 4.43Å; I478-V482 HydrophobicContact CD1-CG1 4.1Å; I478-V482 HydrophobicContact CG2-CG1 4.12Å; I478-N485 HydrophobicContact CG2-CB 4.16Å; I478-N485 WeakPolarHBondContact CG2-O 3.4Å; I478-L486 HydrophobicContact CD1-CD1 4Å
479	P	92.8	Very high	89.5	Confident	28 Å²	28	62.5 Å²	62.5	18%	0.182	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-52.2	139.8	173.7	-26	34.6	0	0	0	112.6	P481 V482 N485 A491 L492	P479-P481 CarbonylContact O-C 3.59Å; P479-V482 PolarHBondContact O-N 2.75Å; P479-N485 HydrophobicContact CB-CB 4.03Å; P479-N485 HydrophobicContact CG-CB 4.45Å; P479-A491 HydrophobicContact CG-CB 4.14Å; P479-L492 HydrophobicContact CB-CD2 4.42Å; P479-L492 HydrophobicContact CG-CD2 4.08Å; P479-L492 HydrophobicContact CG-CG 4.15Å
480	K	90.1	Very high	89.8	Confident	183 Å²	183	54.9 Å²	54.9	80%	0.796	28%	0.283	S	S	*	.	S	Bend	trans	-84.3	142	175.9	-67	-177.8	-179.2	178.3	0	110
481	P	90.1	Very high	89.9	Confident	75 Å²	75	54.6 Å²	54.6	49%	0.487	28%	0.284	S	S	.	.	S	Bend	cis	-71	134.1	-5.1	28.4	-34.3	0	0	0	112.6	P479 K483 D484 N485	P479-P481 CarbonylContact O-C 3.59Å; P481-K483 VanDerWaalsContact C-N 3.29Å; P481-K483 PolarHBondContact O-N 2.69Å; P481-D484 HydrophobicContact CG-CB 4.05Å; P481-D484 WeakPolarHBondContact CG-OD2 3.46Å; P481-D484 PolarHBondContact O-N 3.46Å; P481-N485 PolarHBondContact O-N 3.5Å; P481-N485 PolarHBondContact O-ND2 3.35Å
482	V	85.8	Confident	89.9	Confident	33 Å²	33	58.4 Å²	58.4	20%	0.2	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.7	-171.8	174.6	0	0	0	0	112.6	V467 I478 P479 D484 N485 L486	V467-V482 HydrophobicContact CG2-CG1 4.4Å; I478-V482 HydrophobicContact CB-CG1 4.2Å; I478-V482 HydrophobicContact CB-CG2 4.43Å; I478-V482 HydrophobicContact CD1-CG1 4.1Å; I478-V482 HydrophobicContact CG2-CG1 4.12Å; P479-V482 PolarHBondContact O-N 2.75Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 2.58Å; V482-N485 PolarHBondContact O-N 2.91Å; V482-L486 PolarHBondContact O-N 3.36Å
483	K	85.6	Confident	89.9	Confident	108 Å²	108	54.9 Å²	54.9	47%	0.47	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-39.2	-179.4	-63.7	-169.5	-175.4	-167.3	0	112	V463 D464 P481	V463-K483 HydrophobicContact CG1-CB 3.97Å; V463-K483 HydrophobicContact CG1-CG 4.45Å; V463-K483 WeakPolarHBondContact CG1-O 3.43Å; D464-K483 WeakPolarHBondContact OD1-CE 3.39Å; D464-K483 IonicContact OD1-NZ 2.9Å; D464-K483 PolarHBondContact OD1-NZ 2.84Å; P481-K483 VanDerWaalsContact C-N 3.29Å; P481-K483 PolarHBondContact O-N 2.69Å
484	D	87.3	Confident	89.6	Confident	128 Å²	128	57.4 Å²	57.4	68%	0.684	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-18.3	-174.5	-52.3	-12.4	0	0	0	111.8	P481 V482	P481-D484 HydrophobicContact CG-CB 4.05Å; P481-D484 WeakPolarHBondContact CG-OD2 3.46Å; P481-D484 PolarHBondContact O-N 3.46Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 2.58Å
485	N	88.5	Confident	89	Confident	47 Å²	47	57 Å²	57	25%	0.251	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	17.4	-175.5	-63.9	-80.8	0	0	0	113.2	I478 P479 P481 V482 D487 S488	I478-N485 HydrophobicContact CG2-CB 4.16Å; I478-N485 WeakPolarHBondContact CG2-O 3.4Å; P479-N485 HydrophobicContact CB-CB 4.03Å; P479-N485 HydrophobicContact CG-CB 4.45Å; P481-N485 PolarHBondContact O-N 3.5Å; P481-N485 PolarHBondContact O-ND2 3.35Å; V482-N485 PolarHBondContact O-N 2.91Å; N485-D487 VanDerWaalsContact C-N 3.25Å; N485-D487 PolarHBondContact O-N 2.84Å; N485-S488 VanDerWaalsContact O-CB 3.25Å; N485-S488 WeakPolarHBondContact O-CB 3.39Å; N485-S488 PolarHBondContact O-N 2.93Å
486	L	86	Confident	88.5	Confident	26 Å²	26	61.8 Å²	61.8	14%	0.136	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-57.7	-39.5	-175	-169.8	67.7	0	0	0	112.5	V463 K466 V467 L470 I478 V482 S488 G489	V463-L486 HydrophobicContact CG1-CD2 4.41Å; K466-L486 HydrophobicContact CB-CD2 3.48Å; K466-L486 VanDerWaalsContact CB-CD2 3.48Å; K466-L486 HydrophobicContact CD-CD2 3.99Å; K466-L486 HydrophobicContact CG-CD2 4.36Å; V467-L486 HydrophobicContact CG2-CD1 3.91Å; V467-L486 HydrophobicContact CG2-CD2 4.31Å; L470-L486 HydrophobicContact CD1-CD1 3.55Å; I478-L486 HydrophobicContact CD1-CD1 4Å; V482-L486 PolarHBondContact O-N 3.36Å; L486-S488 PolarHBondContact O-N 2.72Å; L486-G489 PolarHBondContact O-N 3.2Å; L486-G489 VanDerWaalsContact O-N 3.15Å
487	D	85.7	Confident	88.4	Confident	162 Å²	162	60.1 Å²	60.1	87%	0.866	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16.4	179.5	-62	-30	0	0	0	113.2	N485 G489	N485-D487 VanDerWaalsContact C-N 3.25Å; N485-D487 PolarHBondContact O-N 2.84Å; D487-G489 PolarHBondContact O-N 3.47Å
488	S	86.3	Confident	88.2	Confident	53 Å²	53	67.2 Å²	67.2	37%	0.371	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-73.3	-13.9	174.1	-61	0	0	0	0	112.7	M425 N485 L486	M425-S488 VanDerWaalsContact CE-O 3.3Å; M425-S488 WeakPolarHBondContact CE-O 3.33Å; N485-S488 VanDerWaalsContact O-CB 3.25Å; N485-S488 WeakPolarHBondContact O-CB 3.39Å; N485-S488 PolarHBondContact O-N 2.93Å; L486-S488 PolarHBondContact O-N 2.72Å
489	G	89.3	Confident	88.2	Confident	11 Å²	11	68 Å²	68	11%	0.113	35%	0.351	C	S	.	.			trans	59	-151.7	-176.3	0	0	0	0	0	112.5	L486 D487 A491	L486-G489 PolarHBondContact O-N 3.2Å; L486-G489 VanDerWaalsContact O-N 3.15Å; D487-G489 PolarHBondContact O-N 3.47Å; G489-A491 PolarHBondContact O-N 3.08Å
490	P	91.9	Very high	88.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-79.3	51.1	-175.6	32.3	-30.3	0	0	0	111.8	M425 A428 Y474 L477 L492 L493	M425-P490 HydrophobicContact CB-CG 4.06Å; M425-P490 HydrophobicContact CG-CG 4.05Å; A428-P490 HydrophobicContact CB-CB 4.37Å; A428-P490 HydrophobicContact CB-CG 3.89Å; Y474-P490 HydrophobicContact CE2-CB 4.2Å; Y474-P490 HydrophobicContact CE2-CG 3.9Å; Y474-P490 WeakPolarHBondContact OH-CD 3.44Å; L477-P490 HydrophobicContact CB-CB 3.61Å; L477-P490 HydrophobicContact CD1-CB 4Å; L477-P490 HydrophobicContact CG-CB 4.47Å; L477-P490 CarbonylContact O-C 3.5Å; L477-P490 WeakPolarHBondContact O-CA 3.08Å; P490-L492 PolarHBondContact O-N 2.95Å; P490-L493 WeakPolarHBondContact O-CB 3.48Å; P490-L493 PolarHBondContact O-N 3.1Å
491	A	89.9	Confident	88.3	Confident	19 Å²	19	58 Å²	58	16%	0.157	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.5	-172.2	0	0	0	0	0	115	K421 M425 L477 P479 G489 L493	K421-A491 WeakPolarHBondContact CE-O 3.47Å; K421-A491 PolarHBondContact NZ-O 3.24Å; M425-A491 HydrophobicContact CE-CB 4.5Å; L477-A491 PolarHBondContact O-N 2.92Å; P479-A491 HydrophobicContact CG-CB 4.14Å; G489-A491 PolarHBondContact O-N 3.08Å; A491-L493 VanDerWaalsContact C-N 3.26Å
492	L	91.8	Very high	88.4	Confident	82 Å²	82	55.4 Å²	55.4	43%	0.429	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9	172.4	-59.7	178.4	0	0	0	112.6	L477 P479 P490 T494 M497	L477-L492 VanDerWaalsContact O-CB 3.26Å; L477-L492 WeakPolarHBondContact O-CB 3.25Å; L477-L492 WeakPolarHBondContact O-CG 3.35Å; L477-L492 PolarHBondContact O-N 3.39Å; P479-L492 HydrophobicContact CB-CD2 4.42Å; P479-L492 HydrophobicContact CG-CD2 4.08Å; P479-L492 HydrophobicContact CG-CG 4.15Å; P490-L492 PolarHBondContact O-N 2.95Å; L492-T494 PolarHBondContact O-N 3.05Å; L492-M497 VanDerWaalsContact O-SD 3.37Å
493	L	89.9	Confident	88.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.279	C	S	.	.			trans	-64.5	124.3	-176.6	-174.4	58.5	0	0	0	111.4	L424 A428 L477 P490 A491 M497 I499 L503	L424-L493 HydrophobicContact CB-CD2 3.65Å; L424-L493 HydrophobicContact CB-CG 4Å; L424-L493 HydrophobicContact CD1-CG 4.33Å; L424-L493 WeakPolarHBondContact O-CD2 3.14Å; A428-L493 HydrophobicContact CB-CD2 4.06Å; L477-L493 HydrophobicContact CD1-CD1 4.24Å; L477-L493 HydrophobicContact CD2-CD1 4.3Å; P490-L493 WeakPolarHBondContact O-CB 3.48Å; P490-L493 PolarHBondContact O-N 3.1Å; A491-L493 VanDerWaalsContact C-N 3.26Å; L493-M497 HydrophobicContact CD1-SD 4.2Å; L493-I499 HydrophobicContact CD1-CG2 3.42Å; L493-I499 VanDerWaalsContact CD1-CG2 3.42Å; L493-L503 HydrophobicContact CD1-CD1 4.2Å; L493-L503 HydrophobicContact CD2-CD1 3.6Å
494	T	86	Confident	89	Confident	67 Å²	67	49.1 Å²	49.1	41%	0.411	26%	0.256	S	S	.	.			trans	-129.8	155.6	173.6	73.4	0	0	0	0	111.1	L492 Q496 M497	L492-T494 PolarHBondContact O-N 3.05Å; T494-Q496 PolarHBondContact O-N 2.81Å; T494-Q496 VanDerWaalsContact O-N 3.08Å; T494-M497 WeakPolarHBondContact O-CB 3.42Å; T494-M497 PolarHBondContact O-N 3.34Å; T494-M497 WeakPolarHBondContact OG1-CG 3.22Å
495	A	80.7	Confident	89.2	Confident	11 Å²	11	45.7 Å²	45.7	9%	0.091	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.8	177.3	0	0	0	0	0	114.1	L424 L772	L424-A495 HydrophobicContact CD1-CB 4.17Å; A495-L772 HydrophobicContact CB-CD1 4.48Å
496	Q	82.5	Confident	89.4	Confident	155 Å²	155	43.5 Å²	43.5	72%	0.724	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.3	173.2	-66.4	-177.6	-10.2	0	0	112.5	T494	T494-Q496 PolarHBondContact O-N 2.81Å; T494-Q496 VanDerWaalsContact O-N 3.08Å
497	M	90	Very high	89.7	Confident	65 Å²	65	42.3 Å²	42.3	32%	0.32	22%	0.217	S	C	.	.	S	Bend	trans	-72.5	146.4	-178.7	-63.1	179.1	75.1	0	0	111.7	L477 L492 L493 T494 I499 A500 P501	L477-M497 HydrophobicContact CD2-CE 3.41Å; L477-M497 VanDerWaalsContact CD2-CE 3.41Å; L477-M497 HydrophobicContact CD2-SD 4.12Å; L492-M497 VanDerWaalsContact O-SD 3.37Å; L493-M497 HydrophobicContact CD1-SD 4.2Å; T494-M497 WeakPolarHBondContact O-CB 3.42Å; T494-M497 PolarHBondContact O-N 3.34Å; T494-M497 WeakPolarHBondContact OG1-CG 3.22Å; M497-I499 HydrophobicContact CB-CG2 4.2Å; M497-I499 PolarHBondContact O-N 2.8Å; M497-I499 VanDerWaalsContact O-N 3.12Å; M497-A500 WeakPolarHBondContact O-CB 3.46Å; M497-A500 PolarHBondContact O-N 3.45Å; M497-P501 WeakPolarHBondContact O-CD 3.33Å
498	R	88.9	Confident	89.8	Confident	156 Å²	156	35.2 Å²	35.2	59%	0.589	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	179.4	-68.1	-175.7	-69.8	174.9	-0.1	114.2	Y515 W521	R498-Y515 PolarHBondContact NH1-OH 3.35Å; R498-W521 WeakPolarHBondContact O-CZ2 3.35Å
499	I	92.5	Very high	89.5	Confident	19 Å²	19	34.2 Å²	34.2	10%	0.097	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.3	178.5	-162.2	172.8	0	0	0	112.4	L450 W473 L477 L493 M497 K502 L503	L450-I499 HydrophobicContact CD1-CD1 3.98Å; L450-I499 HydrophobicContact CD1-CG1 4.35Å; L450-I499 HydrophobicContact CD2-CD1 4.22Å; L450-I499 HydrophobicContact CD2-CG1 4.31Å; W473-I499 HydrophobicContact CD2-CD1 4.38Å; W473-I499 HydrophobicContact CE3-CD1 3.51Å; W473-I499 HydrophobicContact CZ3-CD1 3.94Å; L477-I499 HydrophobicContact CD1-CD1 4.33Å; L477-I499 HydrophobicContact CD2-CG2 4.48Å; L493-I499 HydrophobicContact CD1-CG2 3.42Å; L493-I499 VanDerWaalsContact CD1-CG2 3.42Å; M497-I499 HydrophobicContact CB-CG2 4.2Å; M497-I499 PolarHBondContact O-N 2.8Å; M497-I499 VanDerWaalsContact O-N 3.12Å; I499-K502 WeakPolarHBondContact O-CA 3.38Å; I499-K502 WeakPolarHBondContact O-CB 3.32Å; I499-K502 PolarHBondContact O-N 3.03Å; I499-L503 HydrophobicContact CG1-CD1 4.23Å; I499-L503 HydrophobicContact CG1-CG 4.11Å; I499-L503 HydrophobicContact CG2-CD1 4.44Å; I499-L503 PolarHBondContact O-N 2.93Å
500	A	92.2	Very high	89.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-47	-176.7	0	0	0	0	0	113.2	L424 M497 K502 L503 L504 L772	L424-A500 HydrophobicContact CD2-CB 4.04Å; M497-A500 WeakPolarHBondContact O-CB 3.46Å; M497-A500 PolarHBondContact O-N 3.45Å; A500-K502 PolarHBondContact O-N 3.3Å; A500-L503 PolarHBondContact O-N 3.47Å; A500-L504 WeakPolarHBondContact O-CB 3.47Å; A500-L504 VanDerWaalsContact O-CG 3.29Å; A500-L504 WeakPolarHBondContact O-CG 3.43Å; A500-L504 PolarHBondContact O-N 3.43Å; A500-L772 HydrophobicContact CB-CD1 4.41Å
501	P	92.4	Very high	89	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-29.2	172.2	-28.5	37	0	0	0	114.7	M497 K505 L506 W521 P771 L772	M497-P501 WeakPolarHBondContact O-CD 3.33Å; P501-K505 PolarHBondContact O-N 3.13Å; P501-L506 HydrophobicContact CB-CD1 3.9Å; P501-L506 HydrophobicContact CB-CG 4.45Å; P501-L506 WeakPolarHBondContact O-CG 3.29Å; P501-L506 PolarHBondContact O-N 3Å; P501-L506 VanDerWaalsContact O-N 3.15Å; P501-W521 HydrophobicContact CB-CH2 3.61Å; P501-W521 HydrophobicContact CB-CZ2 3.93Å; P501-W521 HydrophobicContact CB-CZ3 4.07Å; P501-W521 HydrophobicContact CG-CH2 4.01Å; P501-W521 HydrophobicContact CG-CZ2 3.79Å; P501-P771 HydrophobicContact CB-CG 3.88Å; P501-P771 HydrophobicContact CG-CG 3.65Å; P501-L772 HydrophobicContact CG-CD1 4.18Å; P501-L772 HydrophobicContact CG-CG 4.39Å
502	K	93.5	Very high	89.2	Confident	19 Å²	19	33.7 Å²	33.7	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-76	-45.6	178.6	-66	176.8	165.4	-163.8	0	111.6	W446 L447 D449 L450 I499 A500 L504 K505 W521	W446-K502 HydrophobicContact CB-CB 4.08Å; W446-K502 WeakPolarHBondContact CB-O 3.41Å; W446-K502 VanDerWaalsContact O-CD 3.26Å; W446-K502 WeakPolarHBondContact O-CD 3.37Å; W446-K502 WeakPolarHBondContact O-CG 3.38Å; L447-K502 HydrophobicContact CD2-CB 4.38Å; D449-K502 IonicContact OD1-NZ 2.93Å; D449-K502 PolarHBondContact OD1-NZ 2.9Å; D449-K502 IonicContact OD2-NZ 3.05Å; D449-K502 PolarHBondContact OD2-NZ 3.46Å; L450-K502 HydrophobicContact CD2-CD 4.29Å; I499-K502 WeakPolarHBondContact O-CA 3.38Å; I499-K502 WeakPolarHBondContact O-CB 3.32Å; I499-K502 PolarHBondContact O-N 3.03Å; A500-K502 PolarHBondContact O-N 3.3Å; K502-L504 PolarHBondContact O-N 2.98Å; K502-K505 WeakPolarHBondContact O-CA 3.44Å; K502-K505 PolarHBondContact O-N 2.94Å; K502-W521 HydrophobicContact CG-CH2 4.13Å
503	L	92.1	Very high	89.3	Confident	9 Å²	9	29.9 Å²	29.9	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-33	175.8	-67.4	173.7	0	0	0	112.3	L427 A428 A431 L447 L493 I499 A500 K505	L427-L503 HydrophobicContact CB-CB 4.29Å; A428-L503 HydrophobicContact CB-CD1 3.93Å; A428-L503 HydrophobicContact CB-CD2 4.41Å; A431-L503 HydrophobicContact CB-CD2 4.07Å; L447-L503 HydrophobicContact CD2-CD2 4.33Å; L493-L503 HydrophobicContact CD1-CD1 4.2Å; L493-L503 HydrophobicContact CD2-CD1 3.6Å; I499-L503 HydrophobicContact CG1-CD1 4.23Å; I499-L503 HydrophobicContact CG1-CG 4.11Å; I499-L503 HydrophobicContact CG2-CD1 4.44Å; I499-L503 PolarHBondContact O-N 2.93Å; A500-L503 PolarHBondContact O-N 3.47Å; L503-K505 PolarHBondContact O-N 2.89Å
504	L	91.4	Very high	89.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.1	173.3	-69.9	169.3	0	0	0	113.7	L427 A500 K502 L506 L772 S787 A812 L815 L816	L427-L504 HydrophobicContact CD1-CD2 3.69Å; L427-L504 HydrophobicContact CD1-CG 4.46Å; A500-L504 WeakPolarHBondContact O-CB 3.47Å; A500-L504 VanDerWaalsContact O-CG 3.29Å; A500-L504 WeakPolarHBondContact O-CG 3.43Å; A500-L504 PolarHBondContact O-N 3.43Å; K502-L504 PolarHBondContact O-N 2.98Å; L504-L506 HydrophobicContact CB-CD2 3.69Å; L504-L506 HydrophobicContact CB-CG 3.78Å; L504-L506 HydrophobicContact CD1-CD1 4.48Å; L504-L506 HydrophobicContact CD1-CD2 4.4Å; L504-L506 PolarHBondContact O-N 2.6Å; L504-L772 HydrophobicContact CD1-CD1 3.94Å; L504-L772 HydrophobicContact CD1-CD2 4.35Å; L504-S787 PolarHBondContact O-OG 3.44Å; L504-A812 HydrophobicContact CB-CB 4.4Å; L504-A812 HydrophobicContact CD2-CB 3.63Å; L504-L815 HydrophobicContact CD1-CD2 3.89Å; L504-L815 HydrophobicContact CD2-CB 4.14Å; L504-L815 HydrophobicContact CD2-CD1 3.79Å; L504-L815 HydrophobicContact CD2-CD2 3.9Å; L504-L815 HydrophobicContact CD2-CG 4.17Å; L504-L815 HydrophobicContact CG-CD2 4.49Å; L504-L816 HydrophobicContact CD1-CD2 4.32Å
505	K	92.2	Very high	89.7	Confident	57 Å²	57	29.2 Å²	29.2	25%	0.248	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	49.1	-175.5	-61	-177.3	-179.3	173.7	0	112.7	W446 P501 K502 L503 C507 A788	W446-K505 HydrophobicContact CD2-CB 3.79Å; W446-K505 HydrophobicContact CD2-CG 3.92Å; W446-K505 VanDerWaalsContact CE2-C 3.47Å; W446-K505 VanDerWaalsContact CE2-CA 3.49Å; W446-K505 HydrophobicContact CE3-CB 3.89Å; W446-K505 HydrophobicContact CE3-CD 4.05Å; W446-K505 HydrophobicContact CE3-CG 3.73Å; W446-K505 HydrophobicContact CG-CB 4.42Å; W446-K505 HydrophobicContact CG-CG 4.4Å; W446-K505 HydrophobicContact CH2-CB 4.08Å; W446-K505 HydrophobicContact CZ2-CB 3.95Å; W446-K505 WeakPolarHBondContact CZ2-O 3.42Å; W446-K505 HydrophobicContact CZ3-CB 4.04Å; W446-K505 HydrophobicContact CZ3-CD 4.08Å; W446-K505 HydrophobicContact CZ3-CG 4.15Å; W446-K505 VanDerWaalsContact NE1-C 3.35Å; P501-K505 PolarHBondContact O-N 3.13Å; K502-K505 WeakPolarHBondContact O-CA 3.44Å; K502-K505 PolarHBondContact O-N 2.94Å; L503-K505 PolarHBondContact O-N 2.89Å; K505-C507 PolarHBondContact O-N 2.99Å; K505-A788 HydrophobicContact CB-CB 3.98Å; K505-A788 PolarHBondContact O-N 2.9Å
506	L	92.6	Very high	90.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.5	-174.1	-65.3	-173.4	0	0	0	111.6	W446 P501 L504 L513 P771 L772 L785 H786 L816	W446-L506 PolarHBondContact NE1-O 3.29Å; P501-L506 HydrophobicContact CB-CD1 3.9Å; P501-L506 HydrophobicContact CB-CG 4.45Å; P501-L506 WeakPolarHBondContact O-CG 3.29Å; P501-L506 PolarHBondContact O-N 3Å; P501-L506 VanDerWaalsContact O-N 3.15Å; L504-L506 HydrophobicContact CB-CD2 3.69Å; L504-L506 HydrophobicContact CB-CG 3.78Å; L504-L506 HydrophobicContact CD1-CD1 4.48Å; L504-L506 HydrophobicContact CD1-CD2 4.4Å; L504-L506 PolarHBondContact O-N 2.6Å; L506-L513 HydrophobicContact CB-CD1 3.69Å; L506-L513 HydrophobicContact CB-CG 4.11Å; L506-L513 HydrophobicContact CD1-CD1 4.27Å; L506-L513 WeakPolarHBondContact O-CB 3.32Å; L506-L513 WeakPolarHBondContact O-CG 3.14Å; L506-L513 PolarHBondContact O-N 2.86Å; L506-P771 HydrophobicContact CD1-CG 4.39Å; L506-L772 HydrophobicContact CD1-CD2 3.87Å; L506-L772 HydrophobicContact CD1-CG 4.29Å; L506-L785 HydrophobicContact CB-CD1 4.12Å; L506-L785 HydrophobicContact CD1-CD1 4.24Å; L506-H786 CarbonylContact C-O 3.58Å; L506-H786 WeakPolarHBondContact CA-O 3.14Å; L506-L816 HydrophobicContact CD2-CD1 3.73Å; L506-L816 HydrophobicContact CD2-CD2 4.04Å; L506-L816 HydrophobicContact CD2-CG 4.3Å
507	C	91.8	Very high	90.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.1	171.7	-72.4	0	0	0	0	110.3	K505 L511 L785 H786	K505-C507 PolarHBondContact O-N 2.99Å; C507-L511 CarbonylContact C-O 3.59Å; C507-L511 WeakPolarHBondContact CA-O 3.4Å; C507-L785 WeakPolarHBondContact O-CA 3.38Å; C507-H786 PolarHBondContact N-O 3.38Å; C507-H786 PolarHBondContact O-N 3.12Å; C507-H786 VanDerWaalsContact O-N 3.11Å
508	W	88.5	Confident	89.8	Confident	13 Å²	13	27.5 Å²	27.5	5%	0.049	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.2	167.1	175.6	-93.1	0	0	0	109.8	G510 L511 L513 V523 L758 P759 F776 H779 R784 L785	W508-G510 PolarHBondContact O-N 3.32Å; W508-L511 PolarHBondContact N-O 3.37Å; W508-L511 PolarHBondContact O-N 3.05Å; W508-L513 HydrophobicContact CB-CD2 3.73Å; W508-V523 HydrophobicContact CB-CG1 3.7Å; W508-V523 HydrophobicContact CG-CG1 4.36Å; W508-L758 HydrophobicContact CB-CD2 3.83Å; W508-L758 HydrophobicContact CD2-CD2 3.51Å; W508-L758 HydrophobicContact CE3-CD2 3.86Å; W508-L758 HydrophobicContact CG-CD2 3.48Å; W508-L758 VanDerWaalsContact CG-CD2 3.48Å; W508-P759 HydrophobicContact CH2-CG 3.39Å; W508-P759 HydrophobicContact CZ2-CG 3.59Å; W508-P759 HydrophobicContact CZ3-CG 4.33Å; W508-F776 HydrophobicContact CE3-CE1 4.35Å; W508-F776 HydrophobicContact CH2-CE1 4.25Å; W508-F776 AromaticContact CZ3-CD1 3.89Å; W508-F776 HydrophobicContact CZ3-CD1 3.89Å; W508-F776 AromaticContact CZ3-CE1 3.74Å; W508-F776 HydrophobicContact CZ3-CE1 3.74Å; W508-H779 HydrophobicContact CH2-CB 4.26Å; W508-H779 AromaticContact CH2-CE1 3.8Å; W508-H779 AromaticContact CH2-CG 3.74Å; W508-H779 AromaticContact CH2-ND1 3.4Å; W508-H779 WeakPolarHBondContact CH2-ND1 3.31Å; W508-H779 HydrophobicContact CZ3-CB 3.83Å; W508-H779 AromaticContact CZ3-CG 3.79Å; W508-H779 AromaticContact CZ3-ND1 3.88Å; W508-R784 CarbonylContact C-O 3.05Å; W508-R784 WeakPolarHBondContact CA-O 3.35Å; W508-R784 HydrophobicContact CH2-CB 4.48Å; W508-R784 HydrophobicContact CZ3-CB 4.35Å; W508-L785 HydrophobicContact CE3-CB 4.18Å; W508-L785 HydrophobicContact CE3-CD1 4.46Å; W508-L785 HydrophobicContact CZ3-CB 4.38Å
509	Q	78.6	Confident	89.5	Confident	32 Å²	32	20.9 Å²	20.9	15%	0.15	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	39.3	-175.3	-59.2	174.7	-39	0	0	112.4	L511 R784 N994	Q509-L511 VanDerWaalsContact C-N 3.35Å; Q509-L511 PolarHBondContact O-N 3.3Å; Q509-R784 PolarHBondContact N-O 3.16Å; Q509-N994 PolarHBondContact NE2-ND2 3.26Å; Q509-N994 PolarHBondContact NE2-OD1 3.3Å
510	G	82.1	Confident	89.4	Confident	10 Å²	10	23.4 Å²	23.4	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.7	-178.2	0	0	0	0	0	116.4	W508 Y601 H786	W508-G510 PolarHBondContact O-N 3.32Å; G510-Y601 WeakPolarHBondContact O-CD1 3.24Å; G510-H786 PolarHBondContact N-NE2 3.21Å
511	L	89.6	Confident	89.4	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.3	175.8	-63	176.3	0	0	0	111.6	C507 W508 Q509 L513 V523 I525 W602 D605	C507-L511 CarbonylContact C-O 3.59Å; C507-L511 WeakPolarHBondContact CA-O 3.4Å; W508-L511 PolarHBondContact N-O 3.37Å; W508-L511 PolarHBondContact O-N 3.05Å; Q509-L511 VanDerWaalsContact C-N 3.35Å; Q509-L511 PolarHBondContact O-N 3.3Å; L511-L513 PolarHBondContact O-N 3.44Å; L511-V523 HydrophobicContact CB-CB 4.09Å; L511-V523 HydrophobicContact CB-CG1 4.06Å; L511-V523 HydrophobicContact CB-CG2 4.49Å; L511-V523 HydrophobicContact CD1-CG2 4.13Å; L511-I525 HydrophobicContact CD1-CG1 4.42Å; L511-W602 HydrophobicContact CD2-CB 4.29Å; L511-D605 HydrophobicContact CD2-CB 4.06Å
512	P	94.3	Very high	89.3	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.013	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.6	179.3	-25.9	34.3	0	0	0	113.1	P445 W446 Y598 Y601	P445-P512 HydrophobicContact CB-CB 3.93Å; P445-P512 HydrophobicContact CB-CG 4.07Å; P445-P512 HydrophobicContact CG-CG 4.38Å; W446-P512 HydrophobicContact CH2-CB 4.38Å; W446-P512 HydrophobicContact CH2-CG 4.26Å; W446-P512 HydrophobicContact CZ2-CB 3.71Å; W446-P512 HydrophobicContact CZ2-CG 4.01Å; P512-Y598 HydrophobicContact CB-CD1 4.37Å; P512-Y598 HydrophobicContact CB-CE1 4.02Å; P512-Y598 HydrophobicContact CG-CD1 4.46Å; P512-Y601 VanDerWaalsContact CD-CB 3.48Å; P512-Y601 HydrophobicContact CG-CD1 4.04Å; P512-Y601 HydrophobicContact CG-CD2 3.53Å; P512-Y601 HydrophobicContact CG-CE1 4.45Å; P512-Y601 HydrophobicContact CG-CE2 4Å; P512-Y601 HydrophobicContact CG-CG 3.57Å
513	L	94.5	Very high	89.2	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.6	171.9	-76.1	-167.6	0	0	0	111.6	L506 W508 L511 W521 V523 L758 P771 L785	L506-L513 HydrophobicContact CB-CD1 3.69Å; L506-L513 HydrophobicContact CB-CG 4.11Å; L506-L513 HydrophobicContact CD1-CD1 4.27Å; L506-L513 WeakPolarHBondContact O-CB 3.32Å; L506-L513 WeakPolarHBondContact O-CG 3.14Å; L506-L513 PolarHBondContact O-N 2.86Å; W508-L513 HydrophobicContact CB-CD2 3.73Å; L511-L513 PolarHBondContact O-N 3.44Å; L513-W521 HydrophobicContact CB-CE3 4.11Å; L513-W521 HydrophobicContact CB-CZ3 4.11Å; L513-W521 HydrophobicContact CD1-CE3 4.38Å; L513-V523 HydrophobicContact CD2-CG1 3.96Å; L513-L758 HydrophobicContact CD2-CD1 3.93Å; L513-L758 HydrophobicContact CD2-CD2 3.82Å; L513-L758 HydrophobicContact CD2-CG 4.27Å; L513-P771 HydrophobicContact CD1-CB 3.71Å; L513-P771 HydrophobicContact CD1-CG 3.74Å; L513-L785 HydrophobicContact CD1-CD1 3.81Å; L513-L785 HydrophobicContact CG-CD1 4.38Å
514	H	92.6	Very high	89.1	Confident	14 Å²	14	22.2 Å²	22.2	7%	0.065	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.4	175.9	-177.2	75.7	0	0	0	110.5	W521 G522 L524	H514-W521 WeakPolarHBondContact O-CA 3.44Å; H514-G522 PolarHBondContact N-O 3.24Å; H514-G522 PolarHBondContact O-N 3.07Å; H514-L524 HydrophobicContact CB-CD1 4.14Å; H514-L524 HydrophobicContact CB-CG 3.83Å
515	Y	91.7	Very high	89	Confident	39 Å²	39	22.4 Å²	22.4	15%	0.153	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.5	174.9	179.1	-94.4	0	0	0	110.3	R498 K520 W521	R498-Y515 PolarHBondContact NH1-OH 3.35Å; Y515-K520 HydrophobicContact CE2-CB 4.33Å; Y515-K520 HydrophobicContact CE2-CD 4.15Å; Y515-W521 AromaticContact CD2-CD1 3.77Å; Y515-W521 AromaticContact CD2-CD2 3.83Å; Y515-W521 HydrophobicContact CD2-CD2 3.83Å; Y515-W521 AromaticContact CD2-CE2 3.55Å; Y515-W521 AromaticContact CD2-CG 3.98Å; Y515-W521 HydrophobicContact CD2-CG 3.98Å; Y515-W521 HydrophobicContact CD2-CZ2 4.03Å; Y515-W521 AromaticContact CD2-NE1 3.52Å; Y515-W521 AromaticContact CE2-NE1 3.97Å; Y515-W521 HydrophobicContact CG-CD2 4.43Å; Y515-W521 HydrophobicContact CG-CZ2 4.29Å
516	D	87.8	Confident	88.8	Confident	9 Å²	9	19.7 Å²	19.7	5%	0.048	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.1	171.3	-179.7	-99	0	0	0	111.2	V518 L519 K520 F755	D516-V518 VanDerWaalsContact C-N 3.33Å; D516-V518 PolarHBondContact O-N 3.28Å; D516-V518 WeakPolarHBondContact OD1-CA 3.46Å; D516-V518 WeakPolarHBondContact OD1-CB 3.49Å; D516-V518 PolarHBondContact OD1-N 2.72Å; D516-L519 HydrophobicContact CB-CB 4Å; D516-L519 PolarHBondContact OD1-N 3.25Å; D516-K520 PolarHBondContact N-O 2.94Å; D516-K520 WeakPolarHBondContact O-CA 3.48Å; D516-K520 PolarHBondContact O-N 3.48Å; D516-F755 HydrophobicContact CB-CE2 4.1Å
517	Q	83.2	Confident	88.4	Confident	99 Å²	99	19.8 Å²	19.8	46%	0.463	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-35.1	-178.3	-65.9	-170.2	-2.1	0	0	112.7	K520 S583	Q517-K520 PolarHBondContact O-NZ 2.95Å; Q517-S583 PolarHBondContact NE2-O 2.74Å
518	V	82.8	Confident	88.1	Confident	88 Å²	88	20.8 Å²	20.8	53%	0.533	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-47.3	-176.2	-179.7	0	0	0	0	111	D516	D516-V518 VanDerWaalsContact C-N 3.33Å; D516-V518 PolarHBondContact O-N 3.28Å; D516-V518 WeakPolarHBondContact OD1-CA 3.46Å; D516-V518 WeakPolarHBondContact OD1-CB 3.49Å; D516-V518 PolarHBondContact OD1-N 2.72Å
519	L	83.4	Confident	87.8	Confident	16 Å²	16	21.1 Å²	21.1	8%	0.084	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.4	-175.3	-52.6	177.9	0	0	0	113.1	D516 F755 H757	D516-L519 HydrophobicContact CB-CB 4Å; D516-L519 PolarHBondContact OD1-N 3.25Å; L519-F755 HydrophobicContact CB-CD1 3.96Å; L519-F755 HydrophobicContact CB-CE1 3.56Å; L519-F755 HydrophobicContact CB-CE2 4.24Å; L519-F755 HydrophobicContact CB-CG 4.46Å; L519-F755 HydrophobicContact CB-CZ 3.7Å; L519-F755 HydrophobicContact CD1-CB 3.85Å; L519-F755 HydrophobicContact CD1-CD1 3.61Å; L519-F755 HydrophobicContact CD1-CD2 4.03Å; L519-F755 HydrophobicContact CD1-CE1 4.12Å; L519-F755 HydrophobicContact CD1-CE2 4.49Å; L519-F755 HydrophobicContact CD1-CG 3.56Å; L519-F755 HydrophobicContact CG-CD1 4.38Å; L519-F755 HydrophobicContact CG-CE1 4.46Å; L519-H757 PolarHBondContact O-CE1 2.85Å
520	K	89.8	Confident	87.7	Confident	72 Å²	72	19.6 Å²	19.6	31%	0.313	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65	-140.5	-176.6	-47.6	-54.6	-177	-169.2	0	112	Y515 D516 Q517 F755 P767 V768	Y515-K520 HydrophobicContact CE2-CB 4.33Å; Y515-K520 HydrophobicContact CE2-CD 4.15Å; D516-K520 PolarHBondContact N-O 2.94Å; D516-K520 WeakPolarHBondContact O-CA 3.48Å; D516-K520 PolarHBondContact O-N 3.48Å; Q517-K520 PolarHBondContact O-NZ 2.95Å; K520-F755 WeakPolarHBondContact O-CZ 3.35Å; K520-P767 HydrophobicContact CB-CB 3.97Å; K520-P767 HydrophobicContact CG-CB 3.48Å; K520-P767 VanDerWaalsContact CG-CB 3.48Å; K520-V768 WeakPolarHBondContact CB-O 3.35Å
521	W	92.3	Very high	87.2	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.5	-175.4	-70.6	101.4	0	0	0	112.8	R498 P501 K502 L513 H514 Y515 L758 V768 G769 P771	R498-W521 WeakPolarHBondContact O-CZ2 3.35Å; P501-W521 HydrophobicContact CB-CH2 3.61Å; P501-W521 HydrophobicContact CB-CZ2 3.93Å; P501-W521 HydrophobicContact CB-CZ3 4.07Å; P501-W521 HydrophobicContact CG-CH2 4.01Å; P501-W521 HydrophobicContact CG-CZ2 3.79Å; K502-W521 HydrophobicContact CG-CH2 4.13Å; L513-W521 HydrophobicContact CB-CE3 4.11Å; L513-W521 HydrophobicContact CB-CZ3 4.11Å; L513-W521 HydrophobicContact CD1-CE3 4.38Å; H514-W521 WeakPolarHBondContact O-CA 3.44Å; Y515-W521 AromaticContact CD2-CD1 3.77Å; Y515-W521 AromaticContact CD2-CD2 3.83Å; Y515-W521 HydrophobicContact CD2-CD2 3.83Å; Y515-W521 AromaticContact CD2-CE2 3.55Å; Y515-W521 AromaticContact CD2-CG 3.98Å; Y515-W521 HydrophobicContact CD2-CG 3.98Å; Y515-W521 HydrophobicContact CD2-CZ2 4.03Å; Y515-W521 AromaticContact CD2-NE1 3.52Å; Y515-W521 AromaticContact CE2-NE1 3.97Å; Y515-W521 HydrophobicContact CG-CD2 4.43Å; Y515-W521 HydrophobicContact CG-CZ2 4.29Å; W521-L758 HydrophobicContact CB-CD1 3.92Å; W521-V768 HydrophobicContact CB-CB 4.41Å; W521-V768 HydrophobicContact CB-CG1 4.42Å; W521-V768 PolarHBondContact N-O 3.38Å; W521-G769 VanDerWaalsContact CD1-O 3.24Å; W521-G769 PolarHBondContact NE1-O 2.78Å; W521-P771 HydrophobicContact CD2-CG 4.19Å; W521-P771 HydrophobicContact CG-CG 4.36Å
522	G	90.9	Very high	86.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-165.6	178	0	0	0	0	0	111.2	H514 F755 K756	H514-G522 PolarHBondContact N-O 3.24Å; H514-G522 PolarHBondContact O-N 3.07Å; G522-F755 VanDerWaalsContact CA-CZ 3.46Å; G522-K756 CarbonylContact C-O 3.6Å; G522-K756 WeakPolarHBondContact CA-O 3.36Å
523	V	91.2	Very high	85.4	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147	168.3	-63.7	0	0	0	0	110.2	W508 L511 L513 K756	W508-V523 HydrophobicContact CB-CG1 3.7Å; W508-V523 HydrophobicContact CG-CG1 4.36Å; L511-V523 HydrophobicContact CB-CB 4.09Å; L511-V523 HydrophobicContact CB-CG1 4.06Å; L511-V523 HydrophobicContact CB-CG2 4.49Å; L511-V523 HydrophobicContact CD1-CG2 4.13Å; L513-V523 HydrophobicContact CD2-CG1 3.96Å; V523-K756 HydrophobicContact CG2-CB 3.74Å; V523-K756 HydrophobicContact CG2-CD 4.09Å; V523-K756 HydrophobicContact CG2-CG 4.22Å; V523-K756 PolarHBondContact N-O 3.33Å; V523-K756 PolarHBondContact O-N 3.43Å
524	L	90.9	Very high	84.4	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.1	173	-62.2	178	0	0	0	109.7	H514 F593 Y598 N747 I750 C753 W754 F755	H514-L524 HydrophobicContact CB-CD1 4.14Å; H514-L524 HydrophobicContact CB-CG 3.83Å; L524-F593 HydrophobicContact CD1-CE2 3.72Å; L524-F593 HydrophobicContact CD1-CZ 3.66Å; L524-Y598 HydrophobicContact CB-CD1 3.99Å; L524-Y598 HydrophobicContact CB-CE1 4.16Å; L524-Y598 HydrophobicContact CD1-CD1 4.26Å; L524-Y598 HydrophobicContact CD1-CE1 3.9Å; L524-Y598 HydrophobicContact CG-CE1 4.28Å; L524-N747 HydrophobicContact CD2-CB 4.28Å; L524-I750 HydrophobicContact CD1-CD1 3.69Å; L524-C753 HydrophobicContact CB-CB 4.14Å; L524-C753 HydrophobicContact CD2-CB 4.24Å; L524-W754 WeakPolarHBondContact CA-O 3.37Å; L524-F755 HydrophobicContact CD2-CD2 3.83Å
525	I	88.1	Confident	83.9	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.6	174.5	-56.8	173.8	0	0	0	107.4	L511 Q710 A711 C753 W754 K756	L511-I525 HydrophobicContact CD1-CG1 4.42Å; I525-Q710 HydrophobicContact CG2-CB 3.8Å; I525-A711 HydrophobicContact CD1-CB 3.6Å; I525-C753 CarbonylContact O-C 3.34Å; I525-C753 WeakPolarHBondContact O-CA 3.25Å; I525-W754 HydrophobicContact CB-CB 4.2Å; I525-W754 PolarHBondContact N-O 3.41Å; I525-W754 PolarHBondContact O-N 3.1Å; I525-K756 HydrophobicContact CD1-CB 3.95Å; I525-K756 HydrophobicContact CD1-CD 4.16Å; I525-K756 HydrophobicContact CG1-CB 4.49Å
526	P	89.3	Confident	83.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	163.5	175.3	-27.1	37.3	0	0	0	113.3	Y595 L599 W602 Q710	P526-Y595 HydrophobicContact CB-CE1 4.38Å; P526-Y595 HydrophobicContact CB-CE2 4.17Å; P526-L599 HydrophobicContact CB-CD1 3.85Å; P526-L599 HydrophobicContact CG-CB 4.47Å; P526-L599 HydrophobicContact CG-CD1 4.39Å; P526-W602 HydrophobicContact CG-CB 4.04Å; P526-W602 HydrophobicContact CG-CG 4.34Å; P526-Q710 PolarHBondContact O-NE2 3.32Å; P526-Q710 PolarHBondContact O-OE1 2.85Å
527	G	84	Confident	83	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.01	22%	0.219	C	C	.	.			trans	100.4	11.3	174.5	0	0	0	0	0	116.6	Y595 S654 T752	G527-Y595 PolarHBondContact N-OH 3.13Å; G527-S654 VanDerWaalsContact C-OG 3.29Å; G527-S654 VanDerWaalsContact CA-OG 3.27Å; G527-S654 WeakPolarHBondContact CA-OG 3.34Å; G527-S654 WeakPolarHBondContact O-CB 3.29Å; G527-S654 PolarHBondContact O-OG 2.97Å; G527-T752 PolarHBondContact N-O 3.43Å
528	R	84.5	Confident	83	Confident	22 Å²	22	39.4 Å²	39.4	8%	0.083	20%	0.202	C	C	.	.			trans	-76.7	129.3	169.2	-176	171.4	179.5	-83.4	-2.3	109.2	P530 V746 P751 T752 W754	R528-P530 WeakPolarHBondContact O-CD 3.36Å; R528-V746 VanDerWaalsContact NE-CG2 3.27Å; R528-V746 VanDerWaalsContact NH1-CG1 3.34Å; R528-P751 VanDerWaalsContact CD-O 3.23Å; R528-P751 WeakPolarHBondContact CD-O 3.25Å; R528-P751 WeakPolarHBondContact CG-O 3.44Å; R528-P751 PolarHBondContact NH1-O 3.16Å; R528-T752 WeakPolarHBondContact CB-O 3.4Å; R528-T752 PolarHBondContact N-O 3.05Å; R528-T752 WeakPolarHBondContact O-CA 3.49Å; R528-W754 HydrophobicContact CB-CD2 4.1Å; R528-W754 HydrophobicContact CB-CG 4.37Å; R528-W754 HydrophobicContact CB-CZ2 3.92Å; R528-W754 HydrophobicContact CG-CD2 4.24Å; R528-W754 HydrophobicContact CG-CH2 3.81Å; R528-W754 HydrophobicContact CG-CZ2 3.52Å; R528-W754 HydrophobicContact CG-CZ3 4.33Å
529	I	81.8	Confident	83	Confident	20 Å²	20	35.4 Å²	35.4	10%	0.103	18%	0.178	C	C	.	.			trans	-73.9	111	171.5	-48.7	-164.5	0	0	0	108	Y533 Y539 E650 R653 I657	I529-Y533 HydrophobicContact CG2-CD2 3.62Å; I529-Y533 HydrophobicContact CG2-CE2 4.04Å; I529-Y539 WeakPolarHBondContact CG2-OH 3.48Å; I529-E650 VanDerWaalsContact CD1-OE1 3.28Å; I529-E650 WeakPolarHBondContact CD1-OE1 3.47Å; I529-R653 HydrophobicContact CD1-CB 4.42Å; I529-I657 HydrophobicContact CB-CD1 4.15Å; I529-I657 HydrophobicContact CD1-CD1 4.12Å; I529-I657 HydrophobicContact CG1-CD1 3.68Å; I529-I657 HydrophobicContact CG2-CD1 4.04Å
530	P	77.5	Confident	82.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.			trans	-67.2	147.7	179.2	30.2	-37.5	0	0	0	110.8	R528 P532 Y538 Y539 P751 T752	R528-P530 WeakPolarHBondContact O-CD 3.36Å; P530-P532 CarbonylContact O-C 3.58Å; P530-Y538 HydrophobicContact CB-CD2 3.65Å; P530-Y538 HydrophobicContact CB-CE2 4.16Å; P530-Y538 HydrophobicContact CB-CG 4.02Å; P530-Y538 HydrophobicContact CG-CD2 3.88Å; P530-Y538 HydrophobicContact CG-CG 3.93Å; P530-Y539 WeakPolarHBondContact CD-OH 3.12Å; P530-Y539 HydrophobicContact CG-CE2 3.64Å; P530-P751 HydrophobicContact CB-CB 4.38Å; P530-P751 HydrophobicContact CB-CG 4.46Å; P530-T752 HydrophobicContact CB-CG2 4.03Å; P530-T752 HydrophobicContact CG-CG2 3.79Å
531	Q	72	Confident	81.7	Confident	109 Å²	109	40.6 Å²	40.6	51%	0.509	20%	0.204	S	C	.	.	S	Bend	trans	-113	135.2	178.5	-64.8	-63.8	-18.3	0	0	109.5
532	P	74.1	Confident	80	Confident	86 Å²	86	43.7 Å²	43.7	56%	0.558	23%	0.226	S	C	*	.	S	Bend	cis	-70.6	149.4	-2.7	30.8	-34.1	0	0	0	112.5	P530 D535	P530-P532 CarbonylContact O-C 3.58Å; P532-D535 PolarHBondContact O-N 3.15Å
533	Y	71.9	Confident	77.7	Confident	103 Å²	103	52.2 Å²	52.2	40%	0.404	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	140.6	176	-173.6	-96.3	0	0	0	111.3	I529 D535 Y539	I529-Y533 HydrophobicContact CG2-CD2 3.62Å; I529-Y533 HydrophobicContact CG2-CE2 4.04Å; Y533-D535 VanDerWaalsContact C-N 3.35Å; Y533-Y539 WeakPolarHBondContact CD2-OH 3.5Å; Y533-Y539 HydrophobicContact CE2-CE1 4.26Å
534	G	73.6	Confident	75.4	Confident	31 Å²	31	59.3 Å²	59.3	32%	0.32	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	5.6	179.4	0	0	0	0	0	115.7	P536	G534-P536 WeakPolarHBondContact O-CD 3.33Å; G534-P536 VanDerWaalsContact O-N 3.16Å
535	D	80.6	Confident	72.4	Confident	22 Å²	22	66.6 Å²	66.6	12%	0.118	33%	0.333	C	S	.	.			trans	-56.8	119.9	175.7	-177.3	-29.2	0	0	0	111	P532 Y533 R537 Y538 Y539	P532-D535 PolarHBondContact O-N 3.15Å; Y533-D535 VanDerWaalsContact C-N 3.35Å; D535-R537 PolarHBondContact O-N 3.3Å; D535-R537 VanDerWaalsContact OD1-CB 3.22Å; D535-R537 WeakPolarHBondContact OD1-CB 3.35Å; D535-R537 VanDerWaalsContact OD1-CG 3.28Å; D535-R537 WeakPolarHBondContact OD1-CG 3.5Å; D535-R537 PolarHBondContact OD1-N 3.13Å; D535-R537 IonicContact OD1-NE 3.84Å; D535-R537 PolarHBondContact OD1-NE 3.04Å; D535-R537 IonicContact OD2-CZ 3.23Å; D535-R537 VanDerWaalsContact OD2-CZ 3.25Å; D535-R537 IonicContact OD2-NE 3.89Å; D535-R537 PolarHBondContact OD2-NE 3.33Å; D535-R537 IonicContact OD2-NH2 2.77Å; D535-R537 PolarHBondContact OD2-NH2 3.42Å; D535-Y538 HydrophobicContact CB-CD2 3.9Å; D535-Y538 HydrophobicContact CB-CE2 4.33Å; D535-Y538 PolarHBondContact O-N 2.49Å; D535-Y539 WeakPolarHBondContact O-CD2 3.31Å; D535-Y539 PolarHBondContact O-N 3.35Å; D535-Y539 VanDerWaalsContact O-N 3.09Å
536	P	79.7	Confident	69.9	Low	82 Å²	82	72.2 Å²	72.2	53%	0.532	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.6	-173.8	24	-34	0	0	0	113.6	G534 Y538 R575	G534-P536 WeakPolarHBondContact O-CD 3.33Å; G534-P536 VanDerWaalsContact O-N 3.16Å; P536-Y538 VanDerWaalsContact C-N 3.27Å; P536-Y538 PolarHBondContact O-N 3.05Å; P536-R575 PolarHBondContact O-NE 2.87Å; P536-R575 PolarHBondContact O-NH2 3.39Å
537	R	81.2	Confident	67	Low	140 Å²	140	80.4 Å²	80.4	53%	0.528	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.6	171	-65	-178.6	-67.9	173.2	-0.8	112.7	D535 R575 P579	D535-R537 PolarHBondContact O-N 3.3Å; D535-R537 VanDerWaalsContact OD1-CB 3.22Å; D535-R537 WeakPolarHBondContact OD1-CB 3.35Å; D535-R537 VanDerWaalsContact OD1-CG 3.28Å; D535-R537 WeakPolarHBondContact OD1-CG 3.5Å; D535-R537 PolarHBondContact OD1-N 3.13Å; D535-R537 IonicContact OD1-NE 3.84Å; D535-R537 PolarHBondContact OD1-NE 3.04Å; D535-R537 IonicContact OD2-CZ 3.23Å; D535-R537 VanDerWaalsContact OD2-CZ 3.25Å; D535-R537 IonicContact OD2-NE 3.89Å; D535-R537 PolarHBondContact OD2-NE 3.33Å; D535-R537 IonicContact OD2-NH2 2.77Å; D535-R537 PolarHBondContact OD2-NH2 3.42Å; R537-R575 WeakPolarHBondContact O-CD 3.37Å; R537-P579 WeakPolarHBondContact O-CD 3.46Å
538	Y	83.1	Confident	64.4	Low	27 Å²	27	87.6 Å²	87.6	11%	0.106	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-24.5	-176.4	-51.4	-60.2	0	0	0	113.3	P530 D535 P536 I574 R575 I578 P751 T752	P530-Y538 HydrophobicContact CB-CD2 3.65Å; P530-Y538 HydrophobicContact CB-CE2 4.16Å; P530-Y538 HydrophobicContact CB-CG 4.02Å; P530-Y538 HydrophobicContact CG-CD2 3.88Å; P530-Y538 HydrophobicContact CG-CG 3.93Å; D535-Y538 HydrophobicContact CB-CD2 3.9Å; D535-Y538 HydrophobicContact CB-CE2 4.33Å; D535-Y538 PolarHBondContact O-N 2.49Å; P536-Y538 VanDerWaalsContact C-N 3.27Å; P536-Y538 PolarHBondContact O-N 3.05Å; Y538-I574 CarbonylContact O-C 3.52Å; Y538-I574 VanDerWaalsContact O-CA 3.27Å; Y538-I574 WeakPolarHBondContact O-CA 3.38Å; Y538-R575 PolarHBondContact O-N 2.61Å; Y538-I578 HydrophobicContact CD1-CG2 3.59Å; Y538-I578 HydrophobicContact CE1-CG2 3.82Å; Y538-P751 HydrophobicContact CD1-CG 4.46Å; Y538-P751 HydrophobicContact CE1-CG 3.66Å; Y538-P751 HydrophobicContact CE2-CG 4.05Å; Y538-P751 VanDerWaalsContact CZ-CG 3.44Å; Y538-P751 WeakPolarHBondContact OH-CG 3.37Å; Y538-T752 HydrophobicContact CD1-CG2 3.97Å; Y538-T752 HydrophobicContact CG-CG2 4.16Å
539	Y	83.1	Confident	61.9	Low	4 Å²	4	93.5 Å²	93.5	2%	0.016	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	151.5	-175.7	-64.6	-89.2	0	0	0	113.4	I529 P530 Y533 D535 S573 I574 R575 I657	I529-Y539 WeakPolarHBondContact CG2-OH 3.48Å; P530-Y539 WeakPolarHBondContact CD-OH 3.12Å; P530-Y539 HydrophobicContact CG-CE2 3.64Å; Y533-Y539 WeakPolarHBondContact CD2-OH 3.5Å; Y533-Y539 HydrophobicContact CE2-CE1 4.26Å; D535-Y539 WeakPolarHBondContact O-CD2 3.31Å; D535-Y539 PolarHBondContact O-N 3.35Å; D535-Y539 VanDerWaalsContact O-N 3.09Å; Y539-S573 CarbonylContact C-O 3.37Å; Y539-S573 VanDerWaalsContact CA-O 3.31Å; Y539-S573 WeakPolarHBondContact CA-O 3.41Å; Y539-I574 HydrophobicContact CD1-CG1 4.32Å; Y539-I574 HydrophobicContact CE1-CG1 3.98Å; Y539-R575 PolarHBondContact O-NE 3.38Å; Y539-R575 VanDerWaalsContact O-NE 3.11Å; Y539-R575 PolarHBondContact O-NH2 3.01Å; Y539-I657 HydrophobicContact CE1-CD1 4.22Å
540	I	81.3	Confident	59.4	Low	70 Å²	70	101.3 Å²	101.3	36%	0.359	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.4	165.4	-57.3	179.9	0	0	0	107.5	S573 R575	I540-S573 PolarHBondContact N-O 2.96Å; I540-S573 PolarHBondContact O-N 3.02Å; I540-R575 HydrophobicContact CD1-CG 4.12Å; I540-R575 HydrophobicContact CG1-CB 4.31Å; I540-R575 HydrophobicContact CG1-CG 3.47Å; I540-R575 VanDerWaalsContact CG1-CG 3.47Å
541	E	65	Low	57	Low	127 Å²	127	107.4 Å²	107.4	59%	0.593	56%	0.56	S	S	*	*			trans	-77.3	127.3	171.5	-70.5	177.9	174.9	0	0	109.7	F543	E541-F543 HydrophobicContact CB-CE2 4.46Å
542	S	55.9	Low	55.1	Low	67 Å²	67	110.2 Å²	110.2	47%	0.469	58%	0.577	S	S	.	*			trans	-99.8	107.6	169	71.4	0	0	0	0	109.5	K544 D571	S542-K544 PolarHBondContact O-N 2.81Å; S542-D571 PolarHBondContact OG-O 2.79Å
543	F	42.6	Very low	53.1	Low	178 Å²	178	113.4 Å²	113.4	78%	0.781	59%	0.589	S	S	*	*			trans	-80.5	109.2	169.1	-84	-90.3	0	0	0	108.6	E541	E541-F543 HydrophobicContact CB-CE2 4.46Å
544	K	42.6	Very low	51.1	Low	151 Å²	151	113.1 Å²	113.1	66%	0.657	60%	0.602	S	S	*	*			trans	-87.1	109.7	159.8	-84.2	175.9	-179.3	146.8	0	108.2	S542 T546 D571	S542-K544 PolarHBondContact O-N 2.81Å; K544-T546 PolarHBondContact O-N 2.98Å; K544-T546 PolarHBondContact O-OG1 2.86Å; K544-D571 IonicContact NZ-OD2 2.76Å; K544-D571 PolarHBondContact NZ-OD2 3.28Å
545	N	29.2	Very low	48.9	Very low	154 Å²	154	118.6 Å²	118.6	82%	0.824	62%	0.624	S	S	*	*			trans	-60.3	107.9	160.5	-84.2	-5.4	0	0	0	107.7
546	T	34.7	Very low	46.5	Very low	123 Å²	123	125.7 Å²	125.7	76%	0.755	66%	0.662	S	S	*	*			trans	-112.9	88.3	166.4	-20.9	0	0	0	0	106	K544 N548	K544-T546 PolarHBondContact O-N 2.98Å; K544-T546 PolarHBondContact O-OG1 2.86Å; T546-N548 PolarHBondContact O-N 2.99Å
547	E	28.7	Very low	44.1	Very low	172 Å²	172	126.2 Å²	126.2	80%	0.804	67%	0.674	S	S	*	*			trans	-65.5	111.2	160.3	-71.9	-179.9	171.9	0	0	106.8
548	N	28.9	Very low	41.5	Very low	151 Å²	151	128.1 Å²	128.1	81%	0.807	69%	0.689	S	S	*	*			trans	147.7	85.2	155.4	-76	-22.4	0	0	0	109.9	T546	T546-N548 PolarHBondContact O-N 2.99Å
549	T	32.4	Very low	38.9	Very low	147 Å²	147	134.2 Å²	134.2	90%	0.902	72%	0.723	S	S	*	*			trans	-150.8	129.9	146.3	-35.8	0	0	0	0	109
550	E	30	Very low	36.2	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	77%	0.765	S	S	*	*			trans	-62	151.8	-172.8	-65.7	168.1	147.2	0	0	113.4
551	C	26.5	Very low	33.5	Very low	128 Å²	128	144.7 Å²	144.7	87%	0.865	78%	0.777	S	S	*	*			trans	-63.4	126.5	178.3	-40.7	0	0	0	0	111.2
552	I	32.6	Very low	31.7	Very low	169 Å²	169	144.4 Å²	144.4	87%	0.867	79%	0.785	S	S	*	*			trans	-129.1	124.1	157.6	-61.7	-179.2	0	0	0	107.8
553	D	31.2	Very low	30.2	Very low	153 Å²	153	149.1 Å²	149.1	82%	0.818	80%	0.804	S	S	*	*			trans	-67.5	153.3	-175.4	-85.7	-40.7	0	0	0	113.5
554	S	29.7	Very low	29.4	Very low	97 Å²	97	145.4 Å²	145.4	68%	0.678	80%	0.801	S	S	*	*			trans	-60.6	126.4	171.6	49.6	0	0	0	0	113.7
555	N	27.9	Very low	28.7	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	81%	0.813	S	S	*	*				172.8	116.9	127	-84.7	-27.7	0	0	0	108.1
556	D	30.1	Very low	28.6	Very low	171 Å²	171	144 Å²	144	91%	0.914	80%	0.804	S	S	*	*			trans	167.3	90.6	142.6	-81.8	-17.6	0	0	0	108.8
557	A	28.4	Very low	28.3	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	80%	0.796	S	S	*	*			trans	-86.8	149.7	162.9	0	0	0	0	0	108.8
558	E	28.2	Very low	28.4	Very low	180 Å²	180	138 Å²	138	84%	0.841	78%	0.781	S	S	*	*			trans	89.1	81	175	-52.8	-172.3	169.3	0	0	116.1
559	N	27	Very low	28.7	Very low	154 Å²	154	139.4 Å²	139.4	82%	0.824	78%	0.782	S	S	*	*				165.9	108.8	128.1	-85.3	-42.3	0	0	0	109.2
560	F	27.3	Very low	29.3	Very low	205 Å²	205	139.9 Å²	139.9	90%	0.899	77%	0.769	S	S	*	*				177	126.6	129.5	-115.2	-97	0	0	0	112.3
561	S	24.2	Very low	30.6	Very low	89 Å²	89	136 Å²	136	62%	0.622	75%	0.754	S	S	*	*			trans	-74.2	144.4	172.5	53	0	0	0	0	113
562	T	26.9	Very low	32.7	Very low	121 Å²	121	130.9 Å²	130.9	74%	0.742	72%	0.719	S	S	*	*	S	Bend	trans	35.8	91.7	143.4	58.6	0	0	0	0	118
563	N	24.8	Very low	35.1	Very low	166 Å²	166	124.5 Å²	124.5	89%	0.888	69%	0.69	S	S	*	*			trans	163.1	98.6	133.9	-89.4	-25.1	0	0	0	110.4
564	S	27	Very low	37.7	Very low	100 Å²	100	117.2 Å²	117.2	70%	0.699	65%	0.651	S	S	*	*			trans	-163.2	113.5	152.8	45.3	0	0	0	0	109.9	V566	S564-V566 PolarHBondContact O-N 2.97Å
565	N	26.5	Very low	40.4	Very low	171 Å²	171	117 Å²	117	91%	0.914	64%	0.635	S	S	*	*			trans	-64.5	85	161	-81.5	-33.1	0	0	0	107.8	V567	N565-V567 PolarHBondContact O-N 3.02Å
566	V	27.5	Very low	43.2	Very low	104 Å²	104	112.9 Å²	112.9	63%	0.63	62%	0.616	S	S	*	*			trans	-75.1	108.6	169.1	178.8	0	0	0	0	107	S564 C568	S564-V566 PolarHBondContact O-N 2.97Å; V566-C568 VanDerWaalsContact C-N 3.33Å; V566-C568 PolarHBondContact O-N 3.26Å; V566-C568 PolarHBondContact O-SG 2.63Å; V566-C568 VanDerWaalsContact O-SG 3.41Å
567	V	28.6	Very low	45.9	Very low	97 Å²	97	108.3 Å²	108.3	59%	0.588	59%	0.591	S	S	*	*			trans	-70.5	93.2	168.4	176.6	0	0	0	0	106.9	N565 H569	N565-V567 PolarHBondContact O-N 3.02Å; V567-H569 PolarHBondContact O-N 2.81Å; V567-H569 VanDerWaalsContact O-N 3.14Å
568	C	31.9	Very low	48.8	Very low	73 Å²	73	103.8 Å²	103.8	49%	0.493	55%	0.554	S	S	.	*			trans	-73	103.5	174.5	-42	0	0	0	0	109	V566 Y570	V566-C568 VanDerWaalsContact C-N 3.33Å; V566-C568 PolarHBondContact O-N 3.26Å; V566-C568 PolarHBondContact O-SG 2.63Å; V566-C568 VanDerWaalsContact O-SG 3.41Å; C568-Y570 VanDerWaalsContact C-N 3.3Å; C568-Y570 HydrophobicContact CB-CD2 3.42Å; C568-Y570 VanDerWaalsContact CB-CD2 3.42Å; C568-Y570 HydrophobicContact CB-CE2 3.21Å; C568-Y570 PolarHBondContact O-N 3.36Å
569	H	35	Very low	51.5	Low	180 Å²	180	98 Å²	98	83%	0.833	53%	0.532	S	S	*	.			trans	-71.7	86.3	165.9	-84	-70.4	0	0	0	109.2	V567	V567-H569 PolarHBondContact O-N 2.81Å; V567-H569 VanDerWaalsContact O-N 3.14Å
570	Y	44.7	Very low	54.4	Low	158 Å²	158	90.9 Å²	90.9	62%	0.62	49%	0.494	S	S	*	.			trans	-89.3	119.3	168	-74.5	-76.9	0	0	0	109.6	C568 S572	C568-Y570 VanDerWaalsContact C-N 3.3Å; C568-Y570 HydrophobicContact CB-CD2 3.42Å; C568-Y570 VanDerWaalsContact CB-CD2 3.42Å; C568-Y570 HydrophobicContact CB-CE2 3.21Å; C568-Y570 PolarHBondContact O-N 3.36Å; Y570-S572 PolarHBondContact O-N 3.35Å
571	D	57	Low	56.9	Low	102 Å²	102	84.7 Å²	84.7	55%	0.545	47%	0.473	S	S	.	.			trans	-79.4	49.7	-178.5	-135.1	4.1	0	0	0	109.9	S542 K544	S542-D571 PolarHBondContact OG-O 2.79Å; K544-D571 IonicContact NZ-OD2 2.76Å; K544-D571 PolarHBondContact NZ-OD2 3.28Å
572	S	70.4	Confident	59.3	Low	20 Å²	20	83.3 Å²	83.3	14%	0.14	46%	0.456	C	S	.	.			trans	-105.8	128.2	-173.1	-50.7	0	0	0	0	111.7	Y570	Y570-S572 PolarHBondContact O-N 3.35Å
573	S	83.6	Confident	61.3	Low	34 Å²	34	80.7 Å²	80.7	24%	0.238	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.7	176.3	60.8	0	0	0	0	111.9	Y539 I540 I657	Y539-S573 CarbonylContact C-O 3.37Å; Y539-S573 VanDerWaalsContact CA-O 3.31Å; Y539-S573 WeakPolarHBondContact CA-O 3.41Å; I540-S573 PolarHBondContact N-O 2.96Å; I540-S573 PolarHBondContact O-N 3.02Å; S573-I657 CarbonylContact C-O 3.53Å; S573-I657 WeakPolarHBondContact CA-O 3.33Å
574	I	85.6	Confident	63.2	Low	0 Å²	0	75.5 Å²	75.5	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.6	171.5	-66.9	176.2	0	0	0	108.8	Y538 Y539 I578 Y595 I657 P659 T752	Y538-I574 CarbonylContact O-C 3.52Å; Y538-I574 VanDerWaalsContact O-CA 3.27Å; Y538-I574 WeakPolarHBondContact O-CA 3.38Å; Y539-I574 HydrophobicContact CD1-CG1 4.32Å; Y539-I574 HydrophobicContact CE1-CG1 3.98Å; I574-I578 HydrophobicContact CG2-CD1 3.96Å; I574-Y595 HydrophobicContact CG2-CD1 4.2Å; I574-Y595 HydrophobicContact CG2-CD2 4.47Å; I574-Y595 HydrophobicContact CG2-CE1 4.08Å; I574-Y595 HydrophobicContact CG2-CE2 4.36Å; I574-Y595 HydrophobicContact CG2-CG 4.4Å; I574-I657 HydrophobicContact CD1-CD1 3.66Å; I574-I657 HydrophobicContact CD1-CG1 4.04Å; I574-I657 HydrophobicContact CG1-CD1 4.03Å; I574-I657 HydrophobicContact CG1-CG1 4.29Å; I574-I657 PolarHBondContact N-O 2.96Å; I574-P659 WeakPolarHBondContact O-CB 3.47Å; I574-P659 WeakPolarHBondContact O-CG 3.41Å; I574-T752 HydrophobicContact CD1-CG2 4.38Å; I574-T752 HydrophobicContact CG2-CG2 4.19Å
575	R	86.8	Confident	64.6	Low	92 Å²	92	76.5 Å²	76.5	35%	0.347	43%	0.431	S	S	.	.			trans	-60.2	133.7	176.4	-68.9	173.7	-179.1	-87.8	-4.1	110.4	P536 R537 Y538 Y539 I540 I577 I578	P536-R575 PolarHBondContact O-NE 2.87Å; P536-R575 PolarHBondContact O-NH2 3.39Å; R537-R575 WeakPolarHBondContact O-CD 3.37Å; Y538-R575 PolarHBondContact O-N 2.61Å; Y539-R575 PolarHBondContact O-NE 3.38Å; Y539-R575 VanDerWaalsContact O-NE 3.11Å; Y539-R575 PolarHBondContact O-NH2 3.01Å; I540-R575 HydrophobicContact CD1-CG 4.12Å; I540-R575 HydrophobicContact CG1-CB 4.31Å; I540-R575 HydrophobicContact CG1-CG 3.47Å; I540-R575 VanDerWaalsContact CG1-CG 3.47Å; R575-I577 WeakPolarHBondContact CB-O 3.43Å; R575-I577 PolarHBondContact O-N 3.19Å; R575-I578 HydrophobicContact CB-CG1 4.31Å
576	P	85.5	Confident	66.4	Low	60 Å²	60	72.9 Å²	72.9	39%	0.39	43%	0.425	S	S	.	.	S	Bend	trans	-66.4	-17.2	173.3	27.3	-33.6	0	0	0	112.8	Y595 G596 P659	P576-Y595 PolarHBondContact O-N 3.09Å; P576-Y595 VanDerWaalsContact O-N 3.09Å; P576-G596 PolarHBondContact O-N 3.09Å; P576-P659 HydrophobicContact CB-CB 4.33Å; P576-P659 HydrophobicContact CB-CG 4.31Å
577	I	88	Confident	68.6	Low	74 Å²	74	69.7 Å²	69.7	38%	0.379	41%	0.413	S	S	.	.	S	Bend	trans	-130.3	124.6	173.3	-59.8	176.5	0	0	0	108.2	R575 D592 F593	R575-I577 WeakPolarHBondContact CB-O 3.43Å; R575-I577 PolarHBondContact O-N 3.19Å; I577-D592 HydrophobicContact CG2-CB 3.64Å; I577-F593 WeakPolarHBondContact CA-O 3.42Å
578	I	87.9	Confident	70.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	-173	-61.9	172.7	0	0	0	109.9	Y538 I574 R575 V580 F593 Y595 T752	Y538-I578 HydrophobicContact CD1-CG2 3.59Å; Y538-I578 HydrophobicContact CE1-CG2 3.82Å; I574-I578 HydrophobicContact CG2-CD1 3.96Å; R575-I578 HydrophobicContact CB-CG1 4.31Å; I578-V580 HydrophobicContact CG2-CG1 4.28Å; I578-V580 PolarHBondContact O-N 3.13Å; I578-F593 HydrophobicContact CB-CB 4.36Å; I578-F593 HydrophobicContact CB-CD1 4.36Å; I578-F593 HydrophobicContact CD1-CD1 4.39Å; I578-F593 PolarHBondContact N-O 3.23Å; I578-F593 WeakPolarHBondContact O-CB 3.5Å; I578-F593 PolarHBondContact O-N 3.15Å; I578-Y595 HydrophobicContact CD1-CD2 3.64Å; I578-Y595 HydrophobicContact CD1-CE2 4.45Å; I578-Y595 HydrophobicContact CD1-CG 3.91Å; I578-T752 HydrophobicContact CD1-CG2 3.6Å; I578-T752 WeakPolarHBondContact CD1-OG1 3.43Å
579	P	86.5	Confident	73	Confident	57 Å²	57	70.8 Å²	70.8	37%	0.37	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.6	174.2	28.6	-33.3	0	0	0	110.6	R537 T590 L591	R537-P579 WeakPolarHBondContact O-CD 3.46Å; P579-T590 HydrophobicContact CB-CG2 4.29Å; P579-L591 WeakPolarHBondContact CA-O 3.47Å
580	V	86	Confident	75.3	Confident	6 Å²	6	66.9 Å²	66.9	4%	0.036	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.1	179.8	-65.3	0	0	0	0	111.1	W448 I578 T590 L591 F593 V749 I750	W448-V580 HydrophobicContact CH2-CG2 3.76Å; W448-V580 HydrophobicContact CZ3-CG2 3.59Å; I578-V580 HydrophobicContact CG2-CG1 4.28Å; I578-V580 PolarHBondContact O-N 3.13Å; V580-T590 CarbonylContact O-C 3.6Å; V580-T590 WeakPolarHBondContact O-CA 3.31Å; V580-L591 HydrophobicContact CG2-CB 4.14Å; V580-L591 WeakPolarHBondContact CG2-O 3.45Å; V580-L591 PolarHBondContact N-O 3.26Å; V580-L591 PolarHBondContact O-N 2.84Å; V580-F593 HydrophobicContact CG1-CB 3.75Å; V580-F593 HydrophobicContact CG2-CB 3.9Å; V580-V749 HydrophobicContact CB-CG1 3.94Å; V580-V749 HydrophobicContact CG1-CG1 4.42Å; V580-I750 HydrophobicContact CG1-CG1 4.1Å
581	V	81.7	Confident	77.2	Confident	75 Å²	75	60.4 Å²	60.4	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.7	179.5	-178.2	0	0	0	0	109.6	D588	V581-D588 HydrophobicContact CG1-CB 3.64Å
582	K	73.7	Confident	78.6	Confident	60 Å²	60	58.3 Å²	58.3	26%	0.261	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.7	175.8	-176.3	174.9	-178.6	168.6	0	109.5	D449 T584 E589 L591	D449-K582 PolarHBondContact O-NZ 3.2Å; D449-K582 IonicContact OD2-NZ 3.74Å; D449-K582 PolarHBondContact OD2-NZ 3.07Å; D449-K582 VanDerWaalsContact OD2-NZ 3.12Å; K582-T584 HydrophobicContact CG-CG2 4.4Å; K582-T584 PolarHBondContact O-N 2.92Å; K582-E589 PolarHBondContact N-O 3.04Å; K582-E589 PolarHBondContact O-N 3.46Å; K582-L591 HydrophobicContact CB-CD1 3.88Å; K582-L591 HydrophobicContact CD-CD1 3.6Å; K582-L591 HydrophobicContact CG-CD1 4.41Å
583	S	69.5	Low	79.6	Confident	65 Å²	65	57.3 Å²	57.3	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.7	173.1	-54.4	0	0	0	0	110.7	Q517 D588	Q517-S583 PolarHBondContact NE2-O 2.74Å; S583-D588 VanDerWaalsContact CA-OD1 3.24Å; S583-D588 WeakPolarHBondContact CA-OD1 3.35Å; S583-D588 WeakPolarHBondContact CB-OD1 3.13Å; S583-D588 PolarHBondContact OG-OD1 3.01Å
584	T	64.1	Low	80	Confident	57 Å²	57	55.8 Å²	55.8	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	167.5	174.1	74.7	0	0	0	0	110.2	K582 A586 G587	K582-T584 HydrophobicContact CG-CG2 4.4Å; K582-T584 PolarHBondContact O-N 2.92Å; T584-A586 PolarHBondContact O-N 3.44Å; T584-A586 VanDerWaalsContact O-N 3.07Å; T584-A586 PolarHBondContact OG1-N 3.05Å; T584-G587 PolarHBondContact N-O 3.38Å; T584-G587 PolarHBondContact O-N 3.18Å; T584-G587 PolarHBondContact OG1-O 3.1Å
585	A	56.6	Low	80.3	Confident	121 Å²	121	55.8 Å²	55.8	100%	1	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.3	174.2	0	0	0	0	0	113.5
586	A	62.9	Low	80.4	Confident	96 Å²	96	52.3 Å²	52.3	79%	0.793	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	1.7	177.2	0	0	0	0	0	113.4	T584	T584-A586 PolarHBondContact O-N 3.44Å; T584-A586 VanDerWaalsContact O-N 3.07Å; T584-A586 PolarHBondContact OG1-N 3.05Å
587	G	74.5	Confident	80.6	Confident	37 Å²	37	50.3 Å²	50.3	38%	0.381	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119	-177.2	-175.6	0	0	0	0	0	113.3	T584	T584-G587 PolarHBondContact N-O 3.38Å; T584-G587 PolarHBondContact O-N 3.18Å; T584-G587 PolarHBondContact OG1-O 3.1Å
588	D	75.9	Confident	80.8	Confident	114 Å²	114	47 Å²	47	61%	0.61	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	122	178.2	-74	-19.7	0	0	0	110.8	V581 S583	V581-D588 HydrophobicContact CG1-CB 3.64Å; S583-D588 VanDerWaalsContact CA-OD1 3.24Å; S583-D588 WeakPolarHBondContact CA-OD1 3.35Å; S583-D588 WeakPolarHBondContact CB-OD1 3.13Å; S583-D588 PolarHBondContact OG-OD1 3.01Å
589	E	77.6	Confident	80.9	Confident	79 Å²	79	47.1 Å²	47.1	37%	0.369	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.2	175.5	-173.4	176.7	-167.1	0	0	109.6	K582 L591	K582-E589 PolarHBondContact N-O 3.04Å; K582-E589 PolarHBondContact O-N 3.46Å; E589-L591 HydrophobicContact CG-CD2 4.13Å; E589-L591 HydrophobicContact CG-CG 4.47Å
590	T	83	Confident	81.1	Confident	98 Å²	98	49.4 Å²	49.4	60%	0.601	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.7	174.5	-55.8	0	0	0	0	109.5	P579 V580	P579-T590 HydrophobicContact CB-CG2 4.29Å; V580-T590 CarbonylContact O-C 3.6Å; V580-T590 WeakPolarHBondContact O-CA 3.31Å
591	L	84	Confident	81.3	Confident	21 Å²	21	52.5 Å²	52.5	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.2	-178.8	-62.3	175.5	0	0	0	110.8	W448 D449 P579 V580 K582 E589	W448-L591 HydrophobicContact CE3-CB 4.25Å; W448-L591 HydrophobicContact CZ3-CB 3.83Å; W448-L591 HydrophobicContact CZ3-CD1 4.15Å; D449-L591 HydrophobicContact CB-CD1 4.29Å; P579-L591 WeakPolarHBondContact CA-O 3.47Å; V580-L591 HydrophobicContact CG2-CB 4.14Å; V580-L591 WeakPolarHBondContact CG2-O 3.45Å; V580-L591 PolarHBondContact N-O 3.26Å; V580-L591 PolarHBondContact O-N 2.84Å; K582-L591 HydrophobicContact CB-CD1 3.88Å; K582-L591 HydrophobicContact CD-CD1 3.6Å; K582-L591 HydrophobicContact CG-CD1 4.41Å; E589-L591 HydrophobicContact CG-CD2 4.13Å; E589-L591 HydrophobicContact CG-CG 4.47Å
592	D	87.4	Confident	81.6	Confident	58 Å²	58	49.3 Å²	49.3	31%	0.31	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	105.9	178.3	-67.5	-33.3	0	0	0	109.7	K442 I577 P594	K442-D592 IonicContact NZ-OD2 3.9Å; K442-D592 PolarHBondContact NZ-OD2 2.8Å; I577-D592 HydrophobicContact CG2-CB 3.64Å; D592-P594 WeakPolarHBondContact O-CD 3.36Å
593	F	91.1	Very high	82.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.3	176.3	174.5	-112	0	0	0	111.1	W448 L524 I577 I578 V580 Y595 Y598 I750	W448-F593 AromaticContact CE2-CD2 3.85Å; W448-F593 HydrophobicContact CH2-CB 4.33Å; W448-F593 AromaticContact CH2-CD2 3.96Å; W448-F593 HydrophobicContact CH2-CD2 3.96Å; W448-F593 AromaticContact CZ2-CD2 3.54Å; W448-F593 HydrophobicContact CZ2-CD2 3.54Å; W448-F593 HydrophobicContact CZ2-CE2 4.18Å; W448-F593 HydrophobicContact CZ3-CB 4.36Å; L524-F593 HydrophobicContact CD1-CE2 3.72Å; L524-F593 HydrophobicContact CD1-CZ 3.66Å; I577-F593 WeakPolarHBondContact CA-O 3.42Å; I578-F593 HydrophobicContact CB-CB 4.36Å; I578-F593 HydrophobicContact CB-CD1 4.36Å; I578-F593 HydrophobicContact CD1-CD1 4.39Å; I578-F593 PolarHBondContact N-O 3.23Å; I578-F593 WeakPolarHBondContact O-CB 3.5Å; I578-F593 PolarHBondContact O-N 3.15Å; V580-F593 HydrophobicContact CG1-CB 3.75Å; V580-F593 HydrophobicContact CG2-CB 3.9Å; F593-Y595 VanDerWaalsContact C-N 3.3Å; F593-Y595 HydrophobicContact CD1-CD2 4.48Å; F593-Y595 AromaticContact CE1-CD2 3.89Å; F593-Y595 HydrophobicContact CE1-CD2 3.89Å; F593-Y595 HydrophobicContact CE1-CG 4.36Å; F593-Y595 PolarHBondContact O-N 3.43Å; F593-Y598 HydrophobicContact CD2-CE2 4.49Å; F593-Y598 AromaticContact CE2-CD2 3.74Å; F593-Y598 HydrophobicContact CE2-CD2 3.74Å; F593-Y598 AromaticContact CE2-CE2 3.54Å; F593-Y598 HydrophobicContact CE2-CE2 3.54Å; F593-Y598 HydrophobicContact CE2-CG 4.48Å; F593-Y598 AromaticContact CZ-CD2 3.7Å; F593-Y598 HydrophobicContact CZ-CD2 3.7Å; F593-Y598 AromaticContact CZ-CE2 3.99Å; F593-Y598 HydrophobicContact CZ-CE2 3.99Å; F593-Y598 HydrophobicContact CZ-CG 4.1Å; F593-I750 HydrophobicContact CD1-CD1 4.43Å; F593-I750 HydrophobicContact CD1-CG1 4.47Å; F593-I750 HydrophobicContact CD1-CG2 3.66Å; F593-I750 HydrophobicContact CD2-CD1 3.6Å; F593-I750 HydrophobicContact CD2-CG1 4.3Å; F593-I750 HydrophobicContact CE1-CD1 4.37Å; F593-I750 HydrophobicContact CE1-CG2 3.49Å; F593-I750 VanDerWaalsContact CE1-CG2 3.49Å; F593-I750 HydrophobicContact CE2-CD1 3.54Å; F593-I750 HydrophobicContact CG-CD1 4.07Å; F593-I750 HydrophobicContact CG-CG1 4.28Å; F593-I750 HydrophobicContact CG-CG2 4.29Å; F593-I750 HydrophobicContact CZ-CD1 3.95Å; F593-I750 HydrophobicContact CZ-CG2 4Å
594	P	92.2	Very high	82.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.013	30%	0.298	C	S	.	.			trans	-82	69.3	-176.6	32.7	-35.5	0	0	0	112.6	K442 W448 D592 G596 A597 Y598	K442-P594 VanDerWaalsContact O-CB 3.29Å; K442-P594 WeakPolarHBondContact O-CB 3.47Å; K442-P594 WeakPolarHBondContact O-CG 3.45Å; W448-P594 HydrophobicContact CB-CG 4.09Å; W448-P594 HydrophobicContact CD2-CG 4.46Å; W448-P594 VanDerWaalsContact CG-CD 3.48Å; W448-P594 HydrophobicContact CG-CG 3.84Å; D592-P594 WeakPolarHBondContact O-CD 3.36Å; P594-G596 VanDerWaalsContact C-N 3.26Å; P594-G596 PolarHBondContact O-N 2.97Å; P594-A597 HydrophobicContact CB-CB 4.05Å; P594-A597 PolarHBondContact O-N 2.92Å; P594-Y598 HydrophobicContact CG-CD2 4.45Å; P594-Y598 HydrophobicContact CG-CE2 4.27Å; P594-Y598 PolarHBondContact O-N 3.22Å
595	Y	91.9	Very high	83.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-51.2	-44.4	-179.7	-174.6	-87.3	0	0	0	112.7	P526 G527 I574 P576 I578 F593 A597 Y598 L599 P659 T752	P526-Y595 HydrophobicContact CB-CE1 4.38Å; P526-Y595 HydrophobicContact CB-CE2 4.17Å; G527-Y595 PolarHBondContact N-OH 3.13Å; I574-Y595 HydrophobicContact CG2-CD1 4.2Å; I574-Y595 HydrophobicContact CG2-CD2 4.47Å; I574-Y595 HydrophobicContact CG2-CE1 4.08Å; I574-Y595 HydrophobicContact CG2-CE2 4.36Å; I574-Y595 HydrophobicContact CG2-CG 4.4Å; P576-Y595 PolarHBondContact O-N 3.09Å; P576-Y595 VanDerWaalsContact O-N 3.09Å; I578-Y595 HydrophobicContact CD1-CD2 3.64Å; I578-Y595 HydrophobicContact CD1-CE2 4.45Å; I578-Y595 HydrophobicContact CD1-CG 3.91Å; F593-Y595 VanDerWaalsContact C-N 3.3Å; F593-Y595 HydrophobicContact CD1-CD2 4.48Å; F593-Y595 AromaticContact CE1-CD2 3.89Å; F593-Y595 HydrophobicContact CE1-CD2 3.89Å; F593-Y595 HydrophobicContact CE1-CG 4.36Å; F593-Y595 PolarHBondContact O-N 3.43Å; Y595-A597 VanDerWaalsContact C-N 3.29Å; Y595-A597 PolarHBondContact O-N 3.39Å; Y595-Y598 PolarHBondContact O-N 3.43Å; Y595-L599 HydrophobicContact CE1-CB 4.48Å; Y595-L599 HydrophobicContact CE1-CD2 4.16Å; Y595-L599 WeakPolarHBondContact O-CB 3.44Å; Y595-L599 PolarHBondContact O-N 2.89Å; Y595-P659 HydrophobicContact CD1-CG 3.95Å; Y595-P659 HydrophobicContact CE1-CG 4.07Å; Y595-T752 WeakPolarHBondContact CD2-OG1 3.2Å; Y595-T752 WeakPolarHBondContact CE2-OG1 2.93Å
596	G	89	Confident	84.5	Confident	18 Å²	18	38.6 Å²	38.6	19%	0.186	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-34.7	179.3	0	0	0	0	0	113.5	P576 P594 L599 N600	P576-G596 PolarHBondContact O-N 3.09Å; P594-G596 VanDerWaalsContact C-N 3.26Å; P594-G596 PolarHBondContact O-N 2.97Å; G596-L599 WeakPolarHBondContact O-CB 3.25Å; G596-L599 PolarHBondContact O-N 3Å; G596-N600 PolarHBondContact O-N 2.84Å; G596-N600 PolarHBondContact O-ND2 3.49Å
597	A	89.9	Confident	85	Confident	19 Å²	19	37.8 Å²	37.8	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-44.4	178.4	0	0	0	0	0	111.4	N443 P445 P594 Y595 L599 N600 Y601	N443-A597 VanDerWaalsContact O-CB 3.3Å; N443-A597 WeakPolarHBondContact O-CB 3.21Å; P445-A597 HydrophobicContact CG-CB 3.8Å; P594-A597 HydrophobicContact CB-CB 4.05Å; P594-A597 PolarHBondContact O-N 2.92Å; Y595-A597 VanDerWaalsContact C-N 3.29Å; Y595-A597 PolarHBondContact O-N 3.39Å; A597-L599 VanDerWaalsContact C-N 3.28Å; A597-L599 PolarHBondContact O-N 2.71Å; A597-N600 PolarHBondContact O-N 2.9Å; A597-Y601 WeakPolarHBondContact O-CD2 3.46Å
598	Y	91.8	Very high	84.6	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-37.1	173.4	-78.6	-98.4	0	0	0	111.8	P445 P512 L524 F593 P594 Y595 N600 Y601 W602	P445-Y598 HydrophobicContact CB-CD2 4.19Å; P445-Y598 HydrophobicContact CB-CE1 4.47Å; P445-Y598 HydrophobicContact CB-CE2 3.7Å; P445-Y598 PolarHBondContact O-OH 2.92Å; P512-Y598 HydrophobicContact CB-CD1 4.37Å; P512-Y598 HydrophobicContact CB-CE1 4.02Å; P512-Y598 HydrophobicContact CG-CD1 4.46Å; L524-Y598 HydrophobicContact CB-CD1 3.99Å; L524-Y598 HydrophobicContact CB-CE1 4.16Å; L524-Y598 HydrophobicContact CD1-CD1 4.26Å; L524-Y598 HydrophobicContact CD1-CE1 3.9Å; L524-Y598 HydrophobicContact CG-CE1 4.28Å; F593-Y598 HydrophobicContact CD2-CE2 4.49Å; F593-Y598 AromaticContact CE2-CD2 3.74Å; F593-Y598 HydrophobicContact CE2-CD2 3.74Å; F593-Y598 AromaticContact CE2-CE2 3.54Å; F593-Y598 HydrophobicContact CE2-CE2 3.54Å; F593-Y598 HydrophobicContact CE2-CG 4.48Å; F593-Y598 AromaticContact CZ-CD2 3.7Å; F593-Y598 HydrophobicContact CZ-CD2 3.7Å; F593-Y598 AromaticContact CZ-CE2 3.99Å; F593-Y598 HydrophobicContact CZ-CE2 3.99Å; F593-Y598 HydrophobicContact CZ-CG 4.1Å; P594-Y598 HydrophobicContact CG-CD2 4.45Å; P594-Y598 HydrophobicContact CG-CE2 4.27Å; P594-Y598 PolarHBondContact O-N 3.22Å; Y595-Y598 PolarHBondContact O-N 3.43Å; Y598-N600 VanDerWaalsContact C-N 3.33Å; Y598-N600 PolarHBondContact O-N 3.26Å; Y598-Y601 PolarHBondContact O-N 3.1Å; Y598-W602 PolarHBondContact O-N 3.29Å
599	L	90.8	Very high	84.1	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-37.1	176.3	-173.9	63.9	0	0	0	112.6	P526 Y595 G596 A597 W602 L603 M658 P659 L660	P526-L599 HydrophobicContact CB-CD1 3.85Å; P526-L599 HydrophobicContact CG-CB 4.47Å; P526-L599 HydrophobicContact CG-CD1 4.39Å; Y595-L599 HydrophobicContact CE1-CB 4.48Å; Y595-L599 HydrophobicContact CE1-CD2 4.16Å; Y595-L599 WeakPolarHBondContact O-CB 3.44Å; Y595-L599 PolarHBondContact O-N 2.89Å; G596-L599 WeakPolarHBondContact O-CB 3.25Å; G596-L599 PolarHBondContact O-N 3Å; A597-L599 VanDerWaalsContact C-N 3.28Å; A597-L599 PolarHBondContact O-N 2.71Å; L599-W602 HydrophobicContact CD1-CD2 4.31Å; L599-W602 HydrophobicContact CD1-CE3 3.64Å; L599-W602 HydrophobicContact CD1-CZ3 4.11Å; L599-W602 CarbonylContact O-C 3.48Å; L599-W602 WeakPolarHBondContact O-CB 3.04Å; L599-W602 PolarHBondContact O-N 2.89Å; L599-L603 WeakPolarHBondContact O-CB 3.09Å; L599-L603 WeakPolarHBondContact O-CG 3.24Å; L599-L603 PolarHBondContact O-N 2.9Å; L599-M658 HydrophobicContact CD1-CB 4.47Å; L599-M658 HydrophobicContact CD1-CG 4.22Å; L599-M658 HydrophobicContact CD1-SD 3.63Å; L599-M658 HydrophobicContact CD2-CB 4.23Å; L599-P659 HydrophobicContact CD2-CG 3.85Å; L599-L660 HydrophobicContact CD1-CD2 4.12Å; L599-L660 HydrophobicContact CD2-CD2 3.55Å; L599-L660 HydrophobicContact CD2-CG 4Å; L599-L660 HydrophobicContact CG-CD2 3.78Å
600	N	89.3	Confident	83.4	Confident	105 Å²	105	38.5 Å²	38.5	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-63.2	-42.5	176.4	-70	-21.6	0	0	0	112.9	G596 A597 Y598 W602 L603 A604	G596-N600 PolarHBondContact O-N 2.84Å; G596-N600 PolarHBondContact O-ND2 3.49Å; A597-N600 PolarHBondContact O-N 2.9Å; Y598-N600 VanDerWaalsContact C-N 3.33Å; Y598-N600 PolarHBondContact O-N 3.26Å; N600-W602 VanDerWaalsContact C-N 3.34Å; N600-L603 PolarHBondContact O-N 3.37Å; N600-A604 PolarHBondContact O-N 3.28Å; N600-A604 VanDerWaalsContact O-N 3.11Å
601	Y	89.6	Confident	82.1	Confident	72 Å²	72	35.1 Å²	35.1	28%	0.282	18%	0.176	S	C	.	.	H	α-helix	trans	-66.2	-39.8	174.4	-77.7	-88.5	0	0	0	111.7	P445 W446 G510 P512 A597 Y598 A604 D605 A788	P445-Y601 HydrophobicContact CG-CD2 4.49Å; P445-Y601 HydrophobicContact CG-CE2 4.13Å; W446-Y601 HydrophobicContact CH2-CE1 4.18Å; W446-Y601 HydrophobicContact CH2-CE2 4.1Å; W446-Y601 AromaticContact CH2-CZ 3.62Å; W446-Y601 WeakPolarHBondContact CH2-OH 3.28Å; W446-Y601 HydrophobicContact CZ3-CE2 4.46Å; G510-Y601 WeakPolarHBondContact O-CD1 3.24Å; P512-Y601 VanDerWaalsContact CD-CB 3.48Å; P512-Y601 HydrophobicContact CG-CD1 4.04Å; P512-Y601 HydrophobicContact CG-CD2 3.53Å; P512-Y601 HydrophobicContact CG-CE1 4.45Å; P512-Y601 HydrophobicContact CG-CE2 4Å; P512-Y601 HydrophobicContact CG-CG 3.57Å; A597-Y601 WeakPolarHBondContact O-CD2 3.46Å; Y598-Y601 PolarHBondContact O-N 3.1Å; Y601-A604 PolarHBondContact O-N 3.3Å; Y601-D605 PolarHBondContact O-N 3.17Å; Y601-A788 HydrophobicContact CE1-CB 4.45Å
602	W	89.6	Confident	80.5	Confident	8 Å²	8	37.6 Å²	37.6	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-44.4	174	175.3	92.5	0	0	0	111.8	L511 P526 Y598 L599 N600 A604 D605 V606 I655 M658 L668 Q710	L511-W602 HydrophobicContact CD2-CB 4.29Å; P526-W602 HydrophobicContact CG-CB 4.04Å; P526-W602 HydrophobicContact CG-CG 4.34Å; Y598-W602 PolarHBondContact O-N 3.29Å; L599-W602 HydrophobicContact CD1-CD2 4.31Å; L599-W602 HydrophobicContact CD1-CE3 3.64Å; L599-W602 HydrophobicContact CD1-CZ3 4.11Å; L599-W602 CarbonylContact O-C 3.48Å; L599-W602 WeakPolarHBondContact O-CB 3.04Å; L599-W602 PolarHBondContact O-N 2.89Å; N600-W602 VanDerWaalsContact C-N 3.34Å; W602-A604 VanDerWaalsContact C-N 3.3Å; W602-A604 PolarHBondContact O-N 2.94Å; W602-D605 PolarHBondContact O-N 3.03Å; W602-V606 HydrophobicContact CD2-CG2 3.67Å; W602-V606 HydrophobicContact CE3-CG2 4.18Å; W602-V606 HydrophobicContact CG-CG2 4.14Å; W602-V606 HydrophobicContact CH2-CG1 4.38Å; W602-V606 HydrophobicContact CH2-CG2 4.06Å; W602-V606 HydrophobicContact CZ2-CB 4.48Å; W602-V606 HydrophobicContact CZ2-CG2 3.55Å; W602-V606 HydrophobicContact CZ3-CG2 4.36Å; W602-V606 VanDerWaalsContact O-CB 3.31Å; W602-V606 WeakPolarHBondContact O-CB 3.43Å; W602-V606 VanDerWaalsContact O-CG2 3.31Å; W602-V606 WeakPolarHBondContact O-CG2 3.41Å; W602-V606 PolarHBondContact O-N 2.81Å; W602-I655 HydrophobicContact CH2-CD1 4.49Å; W602-I655 HydrophobicContact CH2-CG1 4.19Å; W602-M658 HydrophobicContact CE3-SD 4.5Å; W602-M658 HydrophobicContact CH2-CE 3.88Å; W602-M658 HydrophobicContact CH2-SD 3.91Å; W602-M658 HydrophobicContact CZ2-CE 3.94Å; W602-M658 HydrophobicContact CZ3-CE 4.35Å; W602-M658 HydrophobicContact CZ3-SD 3.89Å; W602-L668 HydrophobicContact CH2-CD1 4.36Å; W602-L668 HydrophobicContact CZ3-CD1 4.26Å; W602-Q710 VanDerWaalsContact CE2-OE1 3.23Å
603	L	87.1	Confident	78.4	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-44.7	176.2	-81.7	166.9	0	0	0	111.3	L599 N600 K607 L660 E664 L668	L599-L603 WeakPolarHBondContact O-CB 3.09Å; L599-L603 WeakPolarHBondContact O-CG 3.24Å; L599-L603 PolarHBondContact O-N 2.9Å; N600-L603 PolarHBondContact O-N 3.37Å; L603-K607 VanDerWaalsContact O-CB 3.31Å; L603-K607 WeakPolarHBondContact O-CB 2.81Å; L603-K607 WeakPolarHBondContact O-CG 3.46Å; L603-K607 PolarHBondContact O-N 3.03Å; L603-L660 HydrophobicContact CD1-CD2 3.43Å; L603-L660 VanDerWaalsContact CD1-CD2 3.43Å; L603-L660 HydrophobicContact CD2-CD1 4.3Å; L603-L660 HydrophobicContact CD2-CD2 3.5Å; L603-L660 VanDerWaalsContact CD2-CD2 3.5Å; L603-L660 HydrophobicContact CG-CD2 3.66Å; L603-E664 VanDerWaalsContact CD1-OE2 3.3Å; L603-E664 WeakPolarHBondContact CD1-OE2 3.37Å; L603-L668 HydrophobicContact CD2-CD1 4Å
604	A	82.1	Confident	76.3	Confident	51 Å²	51	41.5 Å²	41.5	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-43.1	177.5	0	0	0	0	0	112.1	N600 Y601 W602 R608	N600-A604 PolarHBondContact O-N 3.28Å; N600-A604 VanDerWaalsContact O-N 3.11Å; Y601-A604 PolarHBondContact O-N 3.3Å; W602-A604 VanDerWaalsContact C-N 3.3Å; W602-A604 PolarHBondContact O-N 2.94Å; A604-R608 PolarHBondContact O-N 2.95Å; A604-R608 VanDerWaalsContact O-N 3.08Å
605	D	78.2	Confident	73.7	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-42	177.3	-174.8	58.6	0	0	0	112.3	L511 Y601 W602 R608 R609	L511-D605 HydrophobicContact CD2-CB 4.06Å; Y601-D605 PolarHBondContact O-N 3.17Å; W602-D605 PolarHBondContact O-N 3.03Å; D605-R608 CarbonylContact O-C 3.52Å; D605-R608 WeakPolarHBondContact O-CA 3.48Å; D605-R608 WeakPolarHBondContact O-CB 3.24Å; D605-R608 PolarHBondContact O-N 3.19Å; D605-R608 VanDerWaalsContact O-N 3.15Å; D605-R608 IonicContact OD1-CZ 2.82Å; D605-R608 IonicContact OD1-NH1 2.71Å; D605-R608 PolarHBondContact OD1-NH1 3.03Å; D605-R609 VanDerWaalsContact CG-NE 3.3Å; D605-R609 WeakPolarHBondContact O-CG 3.38Å; D605-R609 PolarHBondContact O-N 2.76Å; D605-R609 IonicContact OD1-CZ 2.75Å; D605-R609 IonicContact OD1-NE 3.85Å; D605-R609 PolarHBondContact OD1-NE 2.69Å; D605-R609 IonicContact OD1-NH2 2.98Å; D605-R609 PolarHBondContact OD1-NH2 3.16Å; D605-R609 IonicContact OD2-CZ 3.17Å; D605-R609 IonicContact OD2-NE 3.4Å; D605-R609 PolarHBondContact OD2-NE 3.31Å; D605-R609 IonicContact OD2-NH1 2.76Å; D605-R609 IonicContact OD2-NH2 3.63Å; D605-R609 PolarHBondContact OD2-NH2 3.06Å
606	V	76.4	Confident	70.9	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-41.9	176	168.1	0	0	0	0	111.5	W602 R608 R609 L610 L668	W602-V606 HydrophobicContact CD2-CG2 3.67Å; W602-V606 HydrophobicContact CE3-CG2 4.18Å; W602-V606 HydrophobicContact CG-CG2 4.14Å; W602-V606 HydrophobicContact CH2-CG1 4.38Å; W602-V606 HydrophobicContact CH2-CG2 4.06Å; W602-V606 HydrophobicContact CZ2-CB 4.48Å; W602-V606 HydrophobicContact CZ2-CG2 3.55Å; W602-V606 HydrophobicContact CZ3-CG2 4.36Å; W602-V606 VanDerWaalsContact O-CB 3.31Å; W602-V606 WeakPolarHBondContact O-CB 3.43Å; W602-V606 VanDerWaalsContact O-CG2 3.31Å; W602-V606 WeakPolarHBondContact O-CG2 3.41Å; W602-V606 PolarHBondContact O-N 2.81Å; V606-R608 PolarHBondContact O-N 3.37Å; V606-R609 PolarHBondContact O-N 3.04Å; V606-L610 HydrophobicContact CG1-CB 4.32Å; V606-L610 HydrophobicContact CG1-CD1 3.54Å; V606-L610 HydrophobicContact CG1-CG 3.88Å; V606-L610 VanDerWaalsContact O-CB 3.29Å; V606-L610 WeakPolarHBondContact O-CB 3.49Å; V606-L610 PolarHBondContact O-N 3.12Å; V606-L668 HydrophobicContact CG1-CD2 3.87Å
607	K	72.9	Confident	68.1	Low	79 Å²	79	61.4 Å²	61.4	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-43	171.5	-74.8	169.9	179.8	176.4	0	110.3	L603 L611 E664	L603-K607 VanDerWaalsContact O-CB 3.31Å; L603-K607 WeakPolarHBondContact O-CB 2.81Å; L603-K607 WeakPolarHBondContact O-CG 3.46Å; L603-K607 PolarHBondContact O-N 3.03Å; K607-L611 HydrophobicContact CB-CD1 4.23Å; K607-L611 HydrophobicContact CG-CD1 3.87Å; K607-L611 VanDerWaalsContact O-CB 3.29Å; K607-L611 WeakPolarHBondContact O-CB 3.46Å; K607-L611 PolarHBondContact O-N 3.34Å; K607-L611 VanDerWaalsContact O-N 3.12Å; K607-E664 WeakPolarHBondContact CE-OE1 3.4Å; K607-E664 IonicContact NZ-OE1 3.26Å; K607-E664 PolarHBondContact NZ-OE1 2.95Å
608	R	68	Low	65.3	Low	134 Å²	134	70.1 Å²	70.1	51%	0.506	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-39.7	177.1	-157.6	-170.1	-48.9	112.8	5.3	113.2	A604 D605 V606 A612	A604-R608 PolarHBondContact O-N 2.95Å; A604-R608 VanDerWaalsContact O-N 3.08Å; D605-R608 CarbonylContact O-C 3.52Å; D605-R608 WeakPolarHBondContact O-CA 3.48Å; D605-R608 WeakPolarHBondContact O-CB 3.24Å; D605-R608 PolarHBondContact O-N 3.19Å; D605-R608 VanDerWaalsContact O-N 3.15Å; D605-R608 IonicContact OD1-CZ 2.82Å; D605-R608 IonicContact OD1-NH1 2.71Å; D605-R608 PolarHBondContact OD1-NH1 3.03Å; V606-R608 PolarHBondContact O-N 3.37Å; R608-A612 WeakPolarHBondContact O-CB 3.45Å
609	R	65.2	Low	62.3	Low	78 Å²	78	74.7 Å²	74.7	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-90.3	-29.4	-173.8	-66.8	-178.4	-165.2	-174.1	7.6	114.9	D605 V606	D605-R609 VanDerWaalsContact CG-NE 3.3Å; D605-R609 WeakPolarHBondContact O-CG 3.38Å; D605-R609 PolarHBondContact O-N 2.76Å; D605-R609 IonicContact OD1-CZ 2.75Å; D605-R609 IonicContact OD1-NE 3.85Å; D605-R609 PolarHBondContact OD1-NE 2.69Å; D605-R609 IonicContact OD1-NH2 2.98Å; D605-R609 PolarHBondContact OD1-NH2 3.16Å; D605-R609 IonicContact OD2-CZ 3.17Å; D605-R609 IonicContact OD2-NE 3.4Å; D605-R609 PolarHBondContact OD2-NE 3.31Å; D605-R609 IonicContact OD2-NH1 2.76Å; D605-R609 IonicContact OD2-NH2 3.63Å; D605-R609 PolarHBondContact OD2-NH2 3.06Å; V606-R609 PolarHBondContact O-N 3.04Å
610	L	61.8	Low	59.3	Low	33 Å²	33	80.4 Å²	80.4	17%	0.173	42%	0.418	C	S	.	.	H	α-helix	trans	-104.4	-27.5	-175.5	-60.8	-167.7	0	0	0	113.7	V606 L630	V606-L610 HydrophobicContact CG1-CB 4.32Å; V606-L610 HydrophobicContact CG1-CD1 3.54Å; V606-L610 HydrophobicContact CG1-CG 3.88Å; V606-L610 VanDerWaalsContact O-CB 3.29Å; V606-L610 WeakPolarHBondContact O-CB 3.49Å; V606-L610 PolarHBondContact O-N 3.12Å; L610-L630 HydrophobicContact CD2-CB 3.82Å; L610-L630 HydrophobicContact CD2-CD1 4.42Å; L610-L630 HydrophobicContact CD2-CD2 3.31Å; L610-L630 HydrophobicContact CD2-CG 4Å
611	L	55.3	Low	56.3	Low	26 Å²	26	81.6 Å²	81.6	14%	0.136	44%	0.435	C	S	.	.	S	Bend	trans	-108.9	-3.3	-172.4	-63.5	170.4	0	0	0	114.6	K607 D613 T671	K607-L611 HydrophobicContact CB-CD1 4.23Å; K607-L611 HydrophobicContact CG-CD1 3.87Å; K607-L611 VanDerWaalsContact O-CB 3.29Å; K607-L611 WeakPolarHBondContact O-CB 3.46Å; K607-L611 PolarHBondContact O-N 3.34Å; K607-L611 VanDerWaalsContact O-N 3.12Å; L611-D613 PolarHBondContact O-N 3.1Å; L611-T671 HydrophobicContact CD2-CG2 3.74Å; L611-T671 WeakPolarHBondContact CD2-OG1 3.43Å
612	A	51.1	Low	53.4	Low	74 Å²	74	82.3 Å²	82.3	61%	0.612	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.2	-178.9	0	0	0	0	0	114.3	R608	R608-A612 WeakPolarHBondContact O-CB 3.45Å
613	D	43.8	Very low	50.3	Low	68 Å²	68	87.5 Å²	87.5	36%	0.364	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	24	-169.9	-67.6	-39.5	0	0	0	116.1	L611 S629	L611-D613 PolarHBondContact O-N 3.1Å; D613-S629 WeakPolarHBondContact OD2-CB 3.48Å
614	F	46.2	Very low	47.7	Very low	71 Å²	71	94 Å²	94	31%	0.311	52%	0.521	S	S	.	.			trans	-111	36.9	177	-78.4	-72.6	0	0	0	114.8	A631 T671 T674 I675 L678	F614-A631 HydrophobicContact CZ-CB 4.35Å; F614-T671 HydrophobicContact CD2-CG2 4.3Å; F614-T671 HydrophobicContact CE2-CG2 3.87Å; F614-T674 HydrophobicContact CD1-CG2 4.48Å; F614-T674 HydrophobicContact CE1-CG2 3.5Å; F614-T674 HydrophobicContact CZ-CG2 3.76Å; F614-I675 HydrophobicContact CE2-CG1 4.49Å; F614-I675 HydrophobicContact CZ-CG1 4.36Å; F614-L678 HydrophobicContact CE1-CD1 4.17Å; F614-L678 HydrophobicContact CZ-CD1 4.25Å
615	Q	37.3	Very low	45.4	Very low	172 Å²	172	99 Å²	99	80%	0.804	54%	0.541	S	S	*	.			trans	-95.9	79.8	156.2	-75.5	-173.1	-8.5	0	0	109	N617	Q615-N617 PolarHBondContact O-N 3.29Å
616	L	34.1	Very low	43.5	Very low	149 Å²	149	104.6 Å²	104.6	78%	0.78	57%	0.566	S	S	*	*			trans	-67.8	85.2	163.4	-85.2	154.4	0	0	0	108.1
617	N	30.6	Very low	42.3	Very low	118 Å²	118	108 Å²	108	63%	0.631	59%	0.59	S	S	*	*			trans	-82.2	116.1	157.6	-74.7	-16	0	0	0	106.7	Q615 S619	Q615-N617 PolarHBondContact O-N 3.29Å; N617-S619 PolarHBondContact O-N 3.27Å
618	E	30.5	Very low	41.2	Very low	202 Å²	202	108.7 Å²	108.7	94%	0.944	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	23.2	-177.5	-70.9	-175.9	144.8	0	0	115
619	S	28.8	Very low	41.2	Very low	100 Å²	100	102.9 Å²	102.9	70%	0.699	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.4	32.5	-166.3	59.4	0	0	0	0	116.6	N617	N617-S619 PolarHBondContact O-N 3.27Å
620	T	27.3	Very low	41.5	Very low	121 Å²	121	99.6 Å²	99.6	74%	0.742	57%	0.566	S	S	*	*			trans	-145.1	110.9	160.9	41.4	0	0	0	0	112.8	S622	T620-S622 PolarHBondContact O-N 2.69Å
621	S	26.1	Very low	42	Very low	131 Å²	131	98.4 Å²	98.4	92%	0.916	56%	0.561	S	S	*	*			trans	-88.2	65	175.6	48.4	0	0	0	0	111.9
622	S	28.9	Very low	42.8	Very low	87 Å²	87	99 Å²	99	61%	0.608	57%	0.565	S	S	*	*			trans	-130.3	107	165.4	58.4	0	0	0	0	110.7	T620 D624	T620-S622 PolarHBondContact O-N 2.69Å; S622-D624 PolarHBondContact O-N 3.16Å
623	C	25.7	Very low	43.9	Very low	116 Å²	116	95.5 Å²	95.5	78%	0.784	54%	0.537	S	S	*	.			trans	-88.9	20	-164.4	30.4	0	0	0	0	115.5
624	D	30.8	Very low	45.7	Very low	145 Å²	145	92.5 Å²	92.5	78%	0.775	52%	0.52	S	S	*	.	S	Bend	trans	-107.1	-5.4	-165.9	-69	-16.9	0	0	0	116.1	S622	S622-D624 PolarHBondContact O-N 3.16Å
625	N	34.9	Very low	47.1	Very low	157 Å²	157	90.1 Å²	90.1	84%	0.84	51%	0.513	S	S	*	.	S	Bend	trans	-110	4.8	-176.6	-77.5	-19	0	0	0	115.9
626	F	38.8	Very low	48.9	Very low	122 Å²	122	86.8 Å²	86.8	54%	0.535	50%	0.497	S	S	.	.			trans	-106.4	24.6	-168.9	-78.3	-77.7	0	0	0	115.8	D628	F626-D628 VanDerWaalsContact C-N 3.29Å; F626-D628 PolarHBondContact O-N 2.92Å
627	S	49.9	Very low	51	Low	86 Å²	86	80.5 Å²	80.5	60%	0.601	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.8	-172.4	71	0	0	0	0	116
628	D	51.2	Low	52.9	Low	92 Å²	92	77.8 Å²	77.8	49%	0.492	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.6	-161.5	-73.7	2.9	0	0	0	115.4	F626 S714	F626-D628 VanDerWaalsContact C-N 3.29Å; F626-D628 PolarHBondContact O-N 2.92Å; D628-S714 VanDerWaalsContact O-CB 3.25Å; D628-S714 WeakPolarHBondContact O-CB 3.36Å; D628-S714 PolarHBondContact O-OG 3.48Å
629	S	66.7	Low	54.9	Low	13 Å²	13	75.4 Å²	75.4	9%	0.091	43%	0.434	C	S	.	.			trans	-71.6	143.9	-177.5	93.2	0	0	0	0	112.8	D613 A631 V632 A633	D613-S629 WeakPolarHBondContact OD2-CB 3.48Å; S629-A631 PolarHBondContact O-N 3.43Å; S629-V632 PolarHBondContact O-N 3.32Å; S629-V632 VanDerWaalsContact O-N 3.16Å; S629-V632 VanDerWaalsContact OG-CG2 3.29Å; S629-V632 WeakPolarHBondContact OG-CG2 3.07Å; S629-V632 PolarHBondContact OG-N 3.06Å; S629-V632 VanDerWaalsContact OG-N 3.09Å; S629-A633 PolarHBondContact O-N 2.62Å
630	L	71.3	Confident	57	Low	8 Å²	8	73.4 Å²	73.4	4%	0.042	42%	0.419	C	S	.	.	H	α-helix	trans	-55.3	-36.3	175.7	-173	80	0	0	0	110.9	L610 Y634 I675 L709 G713	L610-L630 HydrophobicContact CD2-CB 3.82Å; L610-L630 HydrophobicContact CD2-CD1 4.42Å; L610-L630 HydrophobicContact CD2-CD2 3.31Å; L610-L630 HydrophobicContact CD2-CG 4Å; L630-Y634 VanDerWaalsContact O-CB 3.26Å; L630-Y634 WeakPolarHBondContact O-CB 3.24Å; L630-Y634 PolarHBondContact O-N 3.07Å; L630-I675 HydrophobicContact CB-CD1 4.23Å; L630-I675 HydrophobicContact CD2-CD1 3.63Å; L630-I675 HydrophobicContact CG-CD1 4.18Å; L630-L709 HydrophobicContact CD1-CD1 4.36Å; L630-G713 VanDerWaalsContact CD1-C 3.42Å; L630-G713 WeakPolarHBondContact CD1-O 3.43Å
631	A	72.8	Confident	59.3	Low	8 Å²	8	69.9 Å²	69.9	7%	0.066	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-48.8	178	0	0	0	0	0	112.3	F614 S629 S635 I675 L678	F614-A631 HydrophobicContact CZ-CB 4.35Å; S629-A631 PolarHBondContact O-N 3.43Å; A631-S635 WeakPolarHBondContact O-CB 3.41Å; A631-S635 PolarHBondContact O-N 2.95Å; A631-I675 HydrophobicContact CB-CG1 3.94Å; A631-L678 HydrophobicContact CB-CD1 3.92Å
632	V	72.8	Confident	61.7	Low	38 Å²	38	68.1 Å²	68.1	23%	0.23	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-47.8	179.5	171.6	0	0	0	0	109.9	S629 Y634 S635 H636	S629-V632 PolarHBondContact O-N 3.32Å; S629-V632 VanDerWaalsContact O-N 3.16Å; S629-V632 VanDerWaalsContact OG-CG2 3.29Å; S629-V632 WeakPolarHBondContact OG-CG2 3.07Å; S629-V632 PolarHBondContact OG-N 3.06Å; S629-V632 VanDerWaalsContact OG-N 3.09Å; V632-Y634 PolarHBondContact O-N 2.79Å; V632-S635 CarbonylContact O-C 3.53Å; V632-S635 WeakPolarHBondContact O-CA 3.34Å; V632-S635 WeakPolarHBondContact O-CB 3.28Å; V632-S635 PolarHBondContact O-N 2.76Å; V632-S635 VanDerWaalsContact O-N 3.09Å; V632-S635 PolarHBondContact O-OG 2.7Å; V632-H636 PolarHBondContact O-N 3.35Å
633	A	73.2	Confident	64.3	Low	2 Å²	2	66.3 Å²	66.3	2%	0.017	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-40.2	179.3	0	0	0	0	0	113.1	S629 S635 H636 R637 S714 W717 L718	S629-A633 PolarHBondContact O-N 2.62Å; A633-S635 VanDerWaalsContact C-N 3.32Å; A633-S635 PolarHBondContact O-N 2.66Å; A633-H636 CarbonylContact O-C 3.59Å; A633-H636 PolarHBondContact O-N 2.84Å; A633-R637 PolarHBondContact O-N 3.22Å; A633-S714 WeakPolarHBondContact CB-O 3.45Å; A633-W717 WeakPolarHBondContact O-CB 3.43Å; A633-L718 HydrophobicContact CB-CD1 4.37Å; A633-L718 HydrophobicContact CB-CD2 4.38Å; A633-L718 HydrophobicContact CB-CG 4.16Å
634	Y	81.1	Confident	67	Low	4 Å²	4	60.8 Å²	60.8	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-42.9	171.8	-176.1	-107.3	0	0	0	111	L630 V632 H636 R637 D644 L648 I675 W717	L630-Y634 VanDerWaalsContact O-CB 3.26Å; L630-Y634 WeakPolarHBondContact O-CB 3.24Å; L630-Y634 PolarHBondContact O-N 3.07Å; V632-Y634 PolarHBondContact O-N 2.79Å; Y634-H636 VanDerWaalsContact C-N 3.3Å; Y634-H636 PolarHBondContact O-N 3.5Å; Y634-R637 WeakPolarHBondContact O-CB 3.12Å; Y634-R637 WeakPolarHBondContact O-CD 3.47Å; Y634-R637 VanDerWaalsContact O-CG 3.23Å; Y634-R637 WeakPolarHBondContact O-CG 3.32Å; Y634-R637 PolarHBondContact O-N 3.07Å; Y634-R637 PolarHBondContact O-NH1 3.26Å; Y634-D644 HydrophobicContact CE2-CB 4.19Å; Y634-L648 HydrophobicContact CD1-CD1 4.35Å; Y634-L648 HydrophobicContact CD2-CD1 4.1Å; Y634-L648 HydrophobicContact CE1-CD1 3.84Å; Y634-L648 HydrophobicContact CE2-CD1 3.54Å; Y634-L648 HydrophobicContact CE2-CG 4.16Å; Y634-L648 HydrophobicContact CG-CD1 4.47Å; Y634-I675 HydrophobicContact CD1-CG2 4.04Å; Y634-I675 HydrophobicContact CG-CG2 4.07Å; Y634-W717 AromaticContact CD2-CD2 3.44Å; Y634-W717 HydrophobicContact CD2-CD2 3.44Å; Y634-W717 VanDerWaalsContact CD2-CD2 3.44Å; Y634-W717 AromaticContact CD2-CE2 3.41Å; Y634-W717 VanDerWaalsContact CD2-CE2 3.41Å; Y634-W717 AromaticContact CD2-CE3 3.68Å; Y634-W717 HydrophobicContact CD2-CE3 3.68Å; Y634-W717 AromaticContact CD2-CG 3.94Å; Y634-W717 HydrophobicContact CD2-CG 3.94Å; Y634-W717 AromaticContact CD2-CH2 3.89Å; Y634-W717 HydrophobicContact CD2-CH2 3.89Å; Y634-W717 AromaticContact CD2-CZ2 3.65Å; Y634-W717 HydrophobicContact CD2-CZ2 3.65Å; Y634-W717 AromaticContact CD2-CZ3 3.91Å; Y634-W717 HydrophobicContact CD2-CZ3 3.91Å; Y634-W717 AromaticContact CD2-NE1 3.87Å; Y634-W717 HydrophobicContact CE2-CD2 4.12Å; Y634-W717 AromaticContact CE2-CE3 3.93Å; Y634-W717 HydrophobicContact CE2-CE3 3.93Å; Y634-W717 AromaticContact CE2-CH2 3.63Å; Y634-W717 HydrophobicContact CE2-CH2 3.63Å; Y634-W717 AromaticContact CE2-CZ2 3.82Å; Y634-W717 HydrophobicContact CE2-CZ2 3.82Å; Y634-W717 AromaticContact CE2-CZ3 3.7Å; Y634-W717 HydrophobicContact CE2-CZ3 3.7Å; Y634-W717 HydrophobicContact CG-CD2 4.45Å
635	S	76.9	Confident	69.4	Low	22 Å²	22	55 Å²	55	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-30.1	178.1	81.8	0	0	0	0	113.5	A631 V632 A633	A631-S635 WeakPolarHBondContact O-CB 3.41Å; A631-S635 PolarHBondContact O-N 2.95Å; V632-S635 CarbonylContact O-C 3.53Å; V632-S635 WeakPolarHBondContact O-CA 3.34Å; V632-S635 WeakPolarHBondContact O-CB 3.28Å; V632-S635 PolarHBondContact O-N 2.76Å; V632-S635 VanDerWaalsContact O-N 3.09Å; V632-S635 PolarHBondContact O-OG 2.7Å; A633-S635 VanDerWaalsContact C-N 3.32Å; A633-S635 PolarHBondContact O-N 2.66Å
636	H	74	Confident	71.8	Confident	101 Å²	101	50.6 Å²	50.6	47%	0.468	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.8	-179.9	-65.7	-177.3	0	0	0	113.3	V632 A633 Y634 I638 K682	V632-H636 PolarHBondContact O-N 3.35Å; A633-H636 CarbonylContact O-C 3.59Å; A633-H636 PolarHBondContact O-N 2.84Å; Y634-H636 VanDerWaalsContact C-N 3.3Å; Y634-H636 PolarHBondContact O-N 3.5Å; H636-I638 PolarHBondContact O-N 3.25Å; H636-K682 PolarHBondContact NE2-NZ 3.18Å
637	R	78.9	Confident	74.1	Confident	18 Å²	18	44.8 Å²	44.8	7%	0.068	24%	0.24	C	C	.	.			trans	-55.3	136.8	-174.2	66.5	-166.5	177.1	-74.9	1.9	112.8	A633 Y634 K639 P640 D644 W717	A633-R637 PolarHBondContact O-N 3.22Å; Y634-R637 WeakPolarHBondContact O-CB 3.12Å; Y634-R637 WeakPolarHBondContact O-CD 3.47Å; Y634-R637 VanDerWaalsContact O-CG 3.23Å; Y634-R637 WeakPolarHBondContact O-CG 3.32Å; Y634-R637 PolarHBondContact O-N 3.07Å; Y634-R637 PolarHBondContact O-NH1 3.26Å; R637-K639 PolarHBondContact O-N 2.94Å; R637-P640 HydrophobicContact CG-CB 4.38Å; R637-P640 HydrophobicContact CG-CG 4.19Å; R637-D644 WeakPolarHBondContact CD-OD2 3.15Å; R637-D644 IonicContact NE-OD2 3.77Å; R637-D644 PolarHBondContact NE-OD2 3.11Å; R637-W717 VanDerWaalsContact CA-O 3.23Å; R637-W717 WeakPolarHBondContact CA-O 3.47Å; R637-W717 HydrophobicContact CB-CB 4.01Å; R637-W717 VanDerWaalsContact CB-O 3.23Å; R637-W717 WeakPolarHBondContact CB-O 3.46Å
638	I	70.1	Confident	75.8	Confident	61 Å²	61	40.7 Å²	40.7	31%	0.313	21%	0.212	S	C	.	.	S	Bend	trans	-77.8	119.3	-177.8	-56.8	-173.4	0	0	0	108.9	H636 W717 L718 R722 L1002	H636-I638 PolarHBondContact O-N 3.25Å; I638-W717 PolarHBondContact N-O 3.12Å; I638-L718 WeakPolarHBondContact CD1-O 3.46Å; I638-L718 WeakPolarHBondContact CG1-O 3.42Å; I638-R722 PolarHBondContact O-NH1 3.24Å; I638-L1002 HydrophobicContact CD1-CD1 3.79Å; I638-L1002 HydrophobicContact CD1-CD2 4.07Å
639	K	73	Confident	77.4	Confident	151 Å²	151	39.6 Å²	39.6	66%	0.657	21%	0.206	S	C	*	.	S	Bend	trans	58.1	82.3	-177.1	-59.5	174.7	-179	179.1	0	113	R637 D641 R722	R637-K639 PolarHBondContact O-N 2.94Å; K639-D641 PolarHBondContact O-N 3.35Å; K639-R722 PolarHBondContact O-NH2 3.48Å
640	P	72.7	Confident	78.4	Confident	59 Å²	59	40.7 Å²	40.7	38%	0.383	21%	0.21	S	C	.	.			trans	-62.8	131.1	-179.9	-20.9	32.4	0	0	0	112.7	R637	R637-P640 HydrophobicContact CG-CB 4.38Å; R637-P640 HydrophobicContact CG-CG 4.19Å
641	D	74.9	Confident	79.1	Confident	47 Å²	47	40.7 Å²	40.7	25%	0.251	21%	0.21	S	C	.	.			trans	-126.5	154.9	179.2	-170.8	-26.2	0	0	0	109.9	K639 R643 D644	K639-D641 PolarHBondContact O-N 3.35Å; D641-R643 PolarHBondContact O-N 3.49Å; D641-R643 PolarHBondContact OD1-N 3.43Å; D641-R643 VanDerWaalsContact OD1-N 3.12Å; D641-R643 IonicContact OD1-NE 3.12Å; D641-R643 IonicContact OD2-CZ 2.81Å; D641-R643 IonicContact OD2-NE 3.85Å; D641-R643 PolarHBondContact OD2-NE 2.95Å; D641-R643 IonicContact OD2-NH2 3Å; D641-R643 PolarHBondContact OD2-NH2 3.32Å; D641-D644 PolarHBondContact N-OD2 3.19Å; D641-D644 VanDerWaalsContact O-CB 3.26Å; D641-D644 WeakPolarHBondContact O-CB 3.17Å; D641-D644 PolarHBondContact O-N 3.13Å; D641-D644 VanDerWaalsContact O-N 3.09Å
642	I	77.3	Confident	79.8	Confident	93 Å²	93	43.6 Å²	43.6	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-28.4	172	-162.5	158.7	0	0	0	112.3	D644 A645 N646 H698	I642-D644 PolarHBondContact O-N 3.36Å; I642-A645 PolarHBondContact O-N 3.3Å; I642-N646 PolarHBondContact O-N 2.93Å; I642-H698 WeakPolarHBondContact CG2-CE1 3.49Å
643	R	83	Confident	80.5	Confident	49 Å²	49	48.3 Å²	48.3	19%	0.185	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-28.6	172.7	-66.9	-177.2	-74.5	179.7	2	112.9	D641 L647 E700 I702 F723	D641-R643 PolarHBondContact O-N 3.49Å; D641-R643 PolarHBondContact OD1-N 3.43Å; D641-R643 VanDerWaalsContact OD1-N 3.12Å; D641-R643 IonicContact OD1-NE 3.12Å; D641-R643 IonicContact OD2-CZ 2.81Å; D641-R643 IonicContact OD2-NE 3.85Å; D641-R643 PolarHBondContact OD2-NE 2.95Å; D641-R643 IonicContact OD2-NH2 3Å; D641-R643 PolarHBondContact OD2-NH2 3.32Å; R643-L647 WeakPolarHBondContact O-CB 3.31Å; R643-L647 PolarHBondContact O-N 3.31Å; R643-E700 IonicContact CZ-OE2 2.89Å; R643-E700 IonicContact NH1-OE2 3.93Å; R643-E700 PolarHBondContact NH1-OE2 3.3Å; R643-I702 HydrophobicContact CB-CD1 4.12Å; R643-I702 HydrophobicContact CB-CG1 4.4Å; R643-I702 HydrophobicContact CG-CD1 3.84Å; R643-I702 HydrophobicContact CG-CG1 4.24Å; R643-F723 HydrophobicContact CB-CD2 4.03Å; R643-F723 HydrophobicContact CB-CE1 4.21Å; R643-F723 HydrophobicContact CB-CE2 3.59Å; R643-F723 HydrophobicContact CB-CZ 3.71Å
644	D	83.1	Confident	81.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-45.2	178	-62.8	-31.7	0	0	0	112.1	Y634 R637 D641 I642 L647 L648 W717 R722 F723	Y634-D644 HydrophobicContact CE2-CB 4.19Å; R637-D644 WeakPolarHBondContact CD-OD2 3.15Å; R637-D644 IonicContact NE-OD2 3.77Å; R637-D644 PolarHBondContact NE-OD2 3.11Å; D641-D644 PolarHBondContact N-OD2 3.19Å; D641-D644 VanDerWaalsContact O-CB 3.26Å; D641-D644 WeakPolarHBondContact O-CB 3.17Å; D641-D644 PolarHBondContact O-N 3.13Å; D641-D644 VanDerWaalsContact O-N 3.09Å; I642-D644 PolarHBondContact O-N 3.36Å; D644-L647 PolarHBondContact O-N 3.08Å; D644-L648 PolarHBondContact O-N 2.78Å; D644-W717 HydrophobicContact CB-CE3 4.39Å; D644-W717 HydrophobicContact CB-CH2 4.26Å; D644-W717 HydrophobicContact CB-CZ3 3.56Å; D644-W717 WeakPolarHBondContact O-CH2 3.36Å; D644-W717 WeakPolarHBondContact OD1-CZ3 3.26Å; D644-R722 VanDerWaalsContact CG-NH2 3.25Å; D644-R722 IonicContact OD1-CZ 2.78Å; D644-R722 VanDerWaalsContact OD1-CZ 3.24Å; D644-R722 IonicContact OD1-NE 2.73Å; D644-R722 PolarHBondContact OD1-NE 3.46Å; D644-R722 IonicContact OD1-NH2 3.57Å; D644-R722 PolarHBondContact OD1-NH2 2.85Å; D644-R722 IonicContact OD2-CZ 3.15Å; D644-R722 IonicContact OD2-NH2 3.64Å; D644-R722 PolarHBondContact OD2-NH2 3.38Å; D644-F723 VanDerWaalsContact OD1-CE2 3.27Å; D644-F723 WeakPolarHBondContact OD1-CE2 3.49Å
645	A	80.3	Confident	81.5	Confident	24 Å²	24	48.2 Å²	48.2	20%	0.198	23%	0.234	C	C	.	.	H	α-helix	trans	-68.2	-43.8	179.6	0	0	0	0	0	110.8	I642 L647 L648 D649	I642-A645 PolarHBondContact O-N 3.3Å; A645-L647 PolarHBondContact O-N 3.35Å; A645-L648 PolarHBondContact O-N 3.22Å; A645-L648 VanDerWaalsContact O-N 3.14Å; A645-D649 PolarHBondContact O-N 2.95Å
646	N	84.7	Confident	81.9	Confident	64 Å²	64	51.7 Å²	51.7	34%	0.342	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-35.8	176.1	-66.2	-8.7	0	0	0	111.8	I642 D649 E650 I702	I642-N646 PolarHBondContact O-N 2.93Å; N646-D649 PolarHBondContact O-N 2.99Å; N646-E650 WeakPolarHBondContact O-CB 3.29Å; N646-E650 PolarHBondContact O-N 2.93Å; N646-I702 HydrophobicContact CB-CD1 3.87Å; N646-I702 HydrophobicContact CB-CG2 4.29Å
647	L	87.1	Confident	82.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-38.2	177.8	-174.3	64.6	0	0	0	112.9	R643 D644 A645 E650 L651 I702 K705 V706 L709 F716 W717 F723	R643-L647 WeakPolarHBondContact O-CB 3.31Å; R643-L647 PolarHBondContact O-N 3.31Å; D644-L647 PolarHBondContact O-N 3.08Å; A645-L647 PolarHBondContact O-N 3.35Å; L647-E650 PolarHBondContact O-N 3.15Å; L647-L651 PolarHBondContact O-N 3.29Å; L647-I702 HydrophobicContact CB-CG2 3.86Å; L647-I702 HydrophobicContact CD1-CG2 3.93Å; L647-I702 VanDerWaalsContact CD1-O 3.31Å; L647-I702 WeakPolarHBondContact CD1-O 3.25Å; L647-K705 HydrophobicContact CD1-CB 3.88Å; L647-K705 HydrophobicContact CD2-CB 4.24Å; L647-V706 HydrophobicContact CD1-CB 4.46Å; L647-V706 HydrophobicContact CD1-CG2 3.63Å; L647-L709 HydrophobicContact CD2-CB 4.21Å; L647-L709 HydrophobicContact CD2-CD2 3.98Å; L647-L709 HydrophobicContact CG-CD2 3.98Å; L647-F716 HydrophobicContact CD2-CD1 3.99Å; L647-F716 HydrophobicContact CD2-CE1 3.13Å; L647-F716 HydrophobicContact CD2-CE2 4.42Å; L647-F716 HydrophobicContact CD2-CZ 3.4Å; L647-F716 VanDerWaalsContact CD2-CZ 3.4Å; L647-W717 HydrophobicContact CB-CH2 4.33Å; L647-W717 HydrophobicContact CD2-CH2 4Å; L647-W717 HydrophobicContact CD2-CZ3 4.49Å; L647-W717 HydrophobicContact CG-CH2 4.49Å; L647-F723 HydrophobicContact CD2-CE1 4.39Å; L647-F723 HydrophobicContact CD2-CZ 4.42Å
648	L	86.3	Confident	83	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-37.7	173.5	-75.3	-177.9	0	0	0	112	Y634 D644 A645 E650 L651 K652 I672 R676 W717	Y634-L648 HydrophobicContact CD1-CD1 4.35Å; Y634-L648 HydrophobicContact CD2-CD1 4.1Å; Y634-L648 HydrophobicContact CE1-CD1 3.84Å; Y634-L648 HydrophobicContact CE2-CD1 3.54Å; Y634-L648 HydrophobicContact CE2-CG 4.16Å; Y634-L648 HydrophobicContact CG-CD1 4.47Å; D644-L648 PolarHBondContact O-N 2.78Å; A645-L648 PolarHBondContact O-N 3.22Å; A645-L648 VanDerWaalsContact O-N 3.14Å; L648-E650 VanDerWaalsContact C-N 3.31Å; L648-L651 PolarHBondContact O-N 3.37Å; L648-K652 WeakPolarHBondContact O-CB 3.26Å; L648-K652 PolarHBondContact O-N 2.82Å; L648-I672 HydrophobicContact CB-CG2 4.32Å; L648-I672 HydrophobicContact CD2-CG2 4.38Å; L648-R676 HydrophobicContact CD1-CB 4.2Å; L648-W717 HydrophobicContact CD2-CH2 4.38Å; L648-W717 HydrophobicContact CD2-CZ2 3.7Å; L648-W717 HydrophobicContact CG-CH2 4.09Å; L648-W717 HydrophobicContact CG-CZ2 3.88Å
649	D	85.9	Confident	83.9	Confident	68 Å²	68	45.6 Å²	45.6	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-38	174.6	-69.9	-18.9	0	0	0	110.7	A645 N646 K652 R653 R676	A645-D649 PolarHBondContact O-N 2.95Å; N646-D649 PolarHBondContact O-N 2.99Å; D649-K652 WeakPolarHBondContact O-CB 3.33Å; D649-K652 PolarHBondContact O-N 3.25Å; D649-R653 PolarHBondContact O-N 2.86Å; D649-R676 IonicContact OD1-NH1 3.8Å; D649-R676 PolarHBondContact OD1-NH1 3.36Å; D649-R676 IonicContact OD2-NH1 3.82Å
650	E	86.3	Confident	84.5	Confident	37 Å²	37	38.9 Å²	38.9	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-69.7	-39	174.8	-168	63.8	-165.5	0	0	112.7	I529 N646 L647 L648 K652 R653 S654 F703 V706	I529-E650 VanDerWaalsContact CD1-OE1 3.28Å; I529-E650 WeakPolarHBondContact CD1-OE1 3.47Å; N646-E650 WeakPolarHBondContact O-CB 3.29Å; N646-E650 PolarHBondContact O-N 2.93Å; L647-E650 PolarHBondContact O-N 3.15Å; L648-E650 VanDerWaalsContact C-N 3.31Å; E650-K652 VanDerWaalsContact C-N 3.3Å; E650-K652 PolarHBondContact O-N 3.06Å; E650-R653 WeakPolarHBondContact O-CB 3.13Å; E650-R653 PolarHBondContact O-N 3.03Å; E650-S654 WeakPolarHBondContact O-CB 3.48Å; E650-S654 PolarHBondContact O-N 3.17Å; E650-F703 HydrophobicContact CG-CB 3.66Å; E650-V706 HydrophobicContact CB-CG2 4Å; E650-V706 HydrophobicContact CG-CG2 3.68Å
651	L	87.1	Confident	85.1	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-40.5	171.2	177.2	64.7	0	0	0	111.1	L647 L648 S654 I655 I672 V706 L709 Q710	L647-L651 PolarHBondContact O-N 3.29Å; L648-L651 PolarHBondContact O-N 3.37Å; L651-S654 WeakPolarHBondContact O-CB 3.48Å; L651-S654 PolarHBondContact O-N 3.23Å; L651-I655 HydrophobicContact CD1-CD1 4.4Å; L651-I655 HydrophobicContact CG-CD1 4.27Å; L651-I655 WeakPolarHBondContact O-CG1 3.34Å; L651-I655 PolarHBondContact O-N 2.99Å; L651-I672 HydrophobicContact CD2-CD1 3.96Å; L651-I672 HydrophobicContact CD2-CG1 4.47Å; L651-I672 HydrophobicContact CG-CD1 3.95Å; L651-V706 HydrophobicContact CD1-CG1 3.97Å; L651-L709 HydrophobicContact CB-CD2 4.47Å; L651-L709 HydrophobicContact CD2-CD2 3.92Å; L651-Q710 HydrophobicContact CD1-CG 3.91Å
652	K	87.6	Confident	85.5	Confident	70 Å²	70	47.4 Å²	47.4	30%	0.304	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-46.5	175.1	-176.8	-178.1	171	-173.1	0	111.1	L648 D649 E650 S654 I655 E656 A669 I672	L648-K652 WeakPolarHBondContact O-CB 3.26Å; L648-K652 PolarHBondContact O-N 2.82Å; D649-K652 WeakPolarHBondContact O-CB 3.33Å; D649-K652 PolarHBondContact O-N 3.25Å; E650-K652 VanDerWaalsContact C-N 3.3Å; E650-K652 PolarHBondContact O-N 3.06Å; K652-S654 VanDerWaalsContact C-N 3.32Å; K652-S654 PolarHBondContact O-N 3.03Å; K652-I655 PolarHBondContact O-N 3.3Å; K652-I655 VanDerWaalsContact O-N 3.14Å; K652-E656 WeakPolarHBondContact CE-OE1 3.5Å; K652-E656 WeakPolarHBondContact O-CG 3.23Å; K652-E656 PolarHBondContact O-N 3Å; K652-A669 HydrophobicContact CG-CB 4.47Å; K652-I672 HydrophobicContact CB-CD1 4.48Å
653	R	86.5	Confident	85.9	Confident	136 Å²	136	50.6 Å²	50.6	51%	0.513	24%	0.238	S	C	.	.	H	α-helix	trans	-56.7	-44.7	174	-108.9	179.8	177.9	168.5	-1.3	112.6	I529 D649 E650 I655 E656 I657	I529-R653 HydrophobicContact CD1-CB 4.42Å; D649-R653 PolarHBondContact O-N 2.86Å; E650-R653 WeakPolarHBondContact O-CB 3.13Å; E650-R653 PolarHBondContact O-N 3.03Å; R653-I655 VanDerWaalsContact C-N 3.31Å; R653-I655 PolarHBondContact O-N 2.87Å; R653-E656 PolarHBondContact O-N 3.49Å; R653-I657 PolarHBondContact O-N 3.12Å
654	S	87.5	Confident	86	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-55.9	-45	175.1	167.2	0	0	0	0	111.8	G527 E650 L651 K652 I657 M658	G527-S654 VanDerWaalsContact C-OG 3.29Å; G527-S654 VanDerWaalsContact CA-OG 3.27Å; G527-S654 WeakPolarHBondContact CA-OG 3.34Å; G527-S654 WeakPolarHBondContact O-CB 3.29Å; G527-S654 PolarHBondContact O-OG 2.97Å; E650-S654 WeakPolarHBondContact O-CB 3.48Å; E650-S654 PolarHBondContact O-N 3.17Å; L651-S654 WeakPolarHBondContact O-CB 3.48Å; L651-S654 PolarHBondContact O-N 3.23Å; K652-S654 VanDerWaalsContact C-N 3.32Å; K652-S654 PolarHBondContact O-N 3.03Å; S654-I657 WeakPolarHBondContact O-CG1 3.45Å; S654-M658 WeakPolarHBondContact O-CG 2.81Å; S654-M658 PolarHBondContact O-N 2.82Å; S654-M658 WeakPolarHBondContact OG-CE 3.36Å
655	I	87.8	Confident	86.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-68.7	-35.7	178.4	-68.7	168.8	0	0	0	112.2	W602 L651 K652 R653 I657 M658 L660 L668 I672	W602-I655 HydrophobicContact CH2-CD1 4.49Å; W602-I655 HydrophobicContact CH2-CG1 4.19Å; L651-I655 HydrophobicContact CD1-CD1 4.4Å; L651-I655 HydrophobicContact CG-CD1 4.27Å; L651-I655 WeakPolarHBondContact O-CG1 3.34Å; L651-I655 PolarHBondContact O-N 2.99Å; K652-I655 PolarHBondContact O-N 3.3Å; K652-I655 VanDerWaalsContact O-N 3.14Å; R653-I655 VanDerWaalsContact C-N 3.31Å; R653-I655 PolarHBondContact O-N 2.87Å; I655-I657 VanDerWaalsContact C-N 3.33Å; I655-I657 PolarHBondContact O-N 3.1Å; I655-M658 HydrophobicContact CG1-CE 4.3Å; I655-M658 HydrophobicContact CG1-SD 4.4Å; I655-M658 PolarHBondContact O-N 2.97Å; I655-L660 HydrophobicContact CG2-CD1 4.05Å; I655-L668 HydrophobicContact CD1-CB 4.19Å; I655-L668 HydrophobicContact CG2-CB 4.09Å; I655-L668 HydrophobicContact CG2-CD1 4.2Å; I655-I672 HydrophobicContact CD1-CD1 3.46Å; I655-I672 VanDerWaalsContact CD1-CD1 3.46Å
656	E	86.3	Confident	86.4	Confident	95 Å²	95	58.8 Å²	58.8	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-38.3	-179.8	-75.6	171.8	176.7	0	0	112.4	K652 R653 R665	K652-E656 WeakPolarHBondContact CE-OE1 3.5Å; K652-E656 WeakPolarHBondContact O-CG 3.23Å; K652-E656 PolarHBondContact O-N 3Å; R653-E656 PolarHBondContact O-N 3.49Å; E656-R665 PolarHBondContact O-NH1 2.8Å
657	I	86.5	Confident	86.4	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-82.9	-13.6	178.8	68.3	166.9	0	0	0	113.6	I529 Y539 S573 I574 R653 S654 I655	I529-I657 HydrophobicContact CB-CD1 4.15Å; I529-I657 HydrophobicContact CD1-CD1 4.12Å; I529-I657 HydrophobicContact CG1-CD1 3.68Å; I529-I657 HydrophobicContact CG2-CD1 4.04Å; Y539-I657 HydrophobicContact CE1-CD1 4.22Å; S573-I657 CarbonylContact C-O 3.53Å; S573-I657 WeakPolarHBondContact CA-O 3.33Å; I574-I657 HydrophobicContact CD1-CD1 3.66Å; I574-I657 HydrophobicContact CD1-CG1 4.04Å; I574-I657 HydrophobicContact CG1-CD1 4.03Å; I574-I657 HydrophobicContact CG1-CG1 4.29Å; I574-I657 PolarHBondContact N-O 2.96Å; R653-I657 PolarHBondContact O-N 3.12Å; S654-I657 WeakPolarHBondContact O-CG1 3.45Å; I655-I657 VanDerWaalsContact C-N 3.33Å; I655-I657 PolarHBondContact O-N 3.1Å
658	M	89	Confident	86.3	Confident	0 Å²	0	63 Å²	63	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-67.4	146.1	177.1	-73.2	170	-166.9	0	0	111	L599 W602 S654 I655 L660	L599-M658 HydrophobicContact CD1-CB 4.47Å; L599-M658 HydrophobicContact CD1-CG 4.22Å; L599-M658 HydrophobicContact CD1-SD 3.63Å; L599-M658 HydrophobicContact CD2-CB 4.23Å; W602-M658 HydrophobicContact CE3-SD 4.5Å; W602-M658 HydrophobicContact CH2-CE 3.88Å; W602-M658 HydrophobicContact CH2-SD 3.91Å; W602-M658 HydrophobicContact CZ2-CE 3.94Å; W602-M658 HydrophobicContact CZ3-CE 4.35Å; W602-M658 HydrophobicContact CZ3-SD 3.89Å; S654-M658 WeakPolarHBondContact O-CG 2.81Å; S654-M658 PolarHBondContact O-N 2.82Å; S654-M658 WeakPolarHBondContact OG-CE 3.36Å; I655-M658 HydrophobicContact CG1-CE 4.3Å; I655-M658 HydrophobicContact CG1-SD 4.4Å; I655-M658 PolarHBondContact O-N 2.97Å; M658-L660 HydrophobicContact CB-CD1 3.9Å; M658-L660 HydrophobicContact CB-CG 3.78Å; M658-L660 PolarHBondContact O-N 3.21Å; M658-L660 HydrophobicContact SD-CD1 3.98Å
659	P	88	Confident	86.2	Confident	38 Å²	38	63.8 Å²	63.8	25%	0.247	29%	0.289	C	S	.	.			trans	-74.6	67.1	175.4	32.1	-34.7	0	0	0	111.3	I574 P576 Y595 L599	I574-P659 WeakPolarHBondContact O-CB 3.47Å; I574-P659 WeakPolarHBondContact O-CG 3.41Å; P576-P659 HydrophobicContact CB-CB 4.33Å; P576-P659 HydrophobicContact CB-CG 4.31Å; Y595-P659 HydrophobicContact CD1-CG 3.95Å; Y595-P659 HydrophobicContact CE1-CG 4.07Å; L599-P659 HydrophobicContact CD2-CG 3.85Å
660	L	85.7	Confident	86.2	Confident	10 Å²	10	63.9 Å²	63.9	5%	0.052	30%	0.295	C	S	.	.			trans	-106.8	150.8	-179.5	-69.2	176.6	0	0	0	111	L599 L603 I655 M658 R665 L668	L599-L660 HydrophobicContact CD1-CD2 4.12Å; L599-L660 HydrophobicContact CD2-CD2 3.55Å; L599-L660 HydrophobicContact CD2-CG 4Å; L599-L660 HydrophobicContact CG-CD2 3.78Å; L603-L660 HydrophobicContact CD1-CD2 3.43Å; L603-L660 VanDerWaalsContact CD1-CD2 3.43Å; L603-L660 HydrophobicContact CD2-CD1 4.3Å; L603-L660 HydrophobicContact CD2-CD2 3.5Å; L603-L660 VanDerWaalsContact CD2-CD2 3.5Å; L603-L660 HydrophobicContact CG-CD2 3.66Å; I655-L660 HydrophobicContact CG2-CD1 4.05Å; M658-L660 HydrophobicContact CB-CD1 3.9Å; M658-L660 HydrophobicContact CB-CG 3.78Å; M658-L660 PolarHBondContact O-N 3.21Å; M658-L660 HydrophobicContact SD-CD1 3.98Å; L660-R665 HydrophobicContact CB-CG 3.42Å; L660-R665 VanDerWaalsContact CB-CG 3.42Å; L660-R665 HydrophobicContact CD1-CG 3.97Å; L660-R665 HydrophobicContact CG-CG 4.3Å; L660-R665 PolarHBondContact O-NE 3.5Å; L660-R665 PolarHBondContact O-NH2 3.39Å; L660-L668 HydrophobicContact CD1-CD1 4.2Å
661	E	86.1	Confident	86	Confident	142 Å²	142	62.8 Å²	62.8	66%	0.664	29%	0.291	S	S	*	.			trans	-56.6	145.9	170.5	-72.3	-59.4	154.6	0	0	110.9	E663 E664 R665	E661-E663 VanDerWaalsContact C-N 3.26Å; E661-E663 PolarHBondContact O-N 2.99Å; E661-E664 HydrophobicContact CB-CG 4.32Å; E661-E664 PolarHBondContact O-N 2.92Å; E661-E664 VanDerWaalsContact O-N 3.14Å; E661-R665 PolarHBondContact O-N 3.38Å
662	K	83.8	Confident	85.9	Confident	143 Å²	143	62.8 Å²	62.8	62%	0.622	29%	0.291	S	S	*	.	H	α-helix	trans	-57.3	-41.4	-174.7	-174.4	179.7	177.4	-176.6	0	111.8	R665 Q666	K662-R665 PolarHBondContact O-N 2.69Å; K662-Q666 WeakPolarHBondContact O-CB 3.27Å; K662-Q666 VanDerWaalsContact O-CG 3.3Å; K662-Q666 WeakPolarHBondContact O-CG 3.4Å; K662-Q666 PolarHBondContact O-N 2.84Å
663	E	84.9	Confident	85.8	Confident	161 Å²	161	61.6 Å²	61.6	75%	0.752	29%	0.291	S	S	*	.	H	α-helix	trans	-64	-42.1	178.9	-63.8	-179.7	-177	0	0	112.2	E661 Q666 R667	E661-E663 VanDerWaalsContact C-N 3.26Å; E661-E663 PolarHBondContact O-N 2.99Å; E663-Q666 PolarHBondContact O-N 3.33Å; E663-R667 WeakPolarHBondContact O-CB 3.46Å; E663-R667 PolarHBondContact O-N 3.33Å
664	E	84.9	Confident	85.6	Confident	46 Å²	46	57.5 Å²	57.5	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-41.6	179.5	-65.3	-166.2	134.1	0	0	111.8	L603 K607 E661 Q666 R667 L668	L603-E664 VanDerWaalsContact CD1-OE2 3.3Å; L603-E664 WeakPolarHBondContact CD1-OE2 3.37Å; K607-E664 WeakPolarHBondContact CE-OE1 3.4Å; K607-E664 IonicContact NZ-OE1 3.26Å; K607-E664 PolarHBondContact NZ-OE1 2.95Å; E661-E664 HydrophobicContact CB-CG 4.32Å; E661-E664 PolarHBondContact O-N 2.92Å; E661-E664 VanDerWaalsContact O-N 3.14Å; E664-Q666 PolarHBondContact O-N 3.22Å; E664-R667 PolarHBondContact O-N 2.86Å; E664-L668 WeakPolarHBondContact O-CB 3.49Å; E664-L668 WeakPolarHBondContact O-CG 3.38Å; E664-L668 PolarHBondContact O-N 3.22Å
665	R	87	Confident	85.3	Confident	82 Å²	82	57.6 Å²	57.6	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-48	173.3	-74.7	-172.4	-78.8	178.2	-1.3	111.4	E656 L660 E661 K662 R667 L668 A669	E656-R665 PolarHBondContact O-NH1 2.8Å; L660-R665 HydrophobicContact CB-CG 3.42Å; L660-R665 VanDerWaalsContact CB-CG 3.42Å; L660-R665 HydrophobicContact CD1-CG 3.97Å; L660-R665 HydrophobicContact CG-CG 4.3Å; L660-R665 PolarHBondContact O-NE 3.5Å; L660-R665 PolarHBondContact O-NH2 3.39Å; E661-R665 PolarHBondContact O-N 3.38Å; K662-R665 PolarHBondContact O-N 2.69Å; R665-R667 PolarHBondContact O-N 3.29Å; R665-L668 PolarHBondContact O-N 3.11Å; R665-A669 VanDerWaalsContact O-CB 3.23Å; R665-A669 WeakPolarHBondContact O-CB 3.22Å; R665-A669 PolarHBondContact O-N 3.26Å
666	Q	85	Confident	85.1	Confident	116 Å²	116	61.5 Å²	61.5	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-42.9	178.4	-74.2	178.9	-18	0	0	111.8	K662 E663 E664 S670	K662-Q666 WeakPolarHBondContact O-CB 3.27Å; K662-Q666 VanDerWaalsContact O-CG 3.3Å; K662-Q666 WeakPolarHBondContact O-CG 3.4Å; K662-Q666 PolarHBondContact O-N 2.84Å; E663-Q666 PolarHBondContact O-N 3.33Å; E664-Q666 PolarHBondContact O-N 3.22Å; Q666-S670 WeakPolarHBondContact O-CB 3.48Å; Q666-S670 PolarHBondContact O-N 2.87Å
667	R	84.9	Confident	84.8	Confident	144 Å²	144	63.4 Å²	63.4	54%	0.543	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-47.3	178	-175.9	177.9	178.4	176.3	1	112.2	E663 E664 R665 S670 T671	E663-R667 WeakPolarHBondContact O-CB 3.46Å; E663-R667 PolarHBondContact O-N 3.33Å; E664-R667 PolarHBondContact O-N 2.86Å; R665-R667 PolarHBondContact O-N 3.29Å; R667-S670 PolarHBondContact O-N 3.36Å; R667-T671 WeakPolarHBondContact O-CB 3.48Å; R667-T671 PolarHBondContact O-N 2.81Å; R667-T671 PolarHBondContact O-OG1 2.87Å
668	L	85.1	Confident	84.1	Confident	9 Å²	9	66 Å²	66	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-44	179	-70.7	172.5	0	0	0	111.6	W602 L603 V606 I655 L660 E664 R665 S670 T671 I672	W602-L668 HydrophobicContact CH2-CD1 4.36Å; W602-L668 HydrophobicContact CZ3-CD1 4.26Å; L603-L668 HydrophobicContact CD2-CD1 4Å; V606-L668 HydrophobicContact CG1-CD2 3.87Å; I655-L668 HydrophobicContact CD1-CB 4.19Å; I655-L668 HydrophobicContact CG2-CB 4.09Å; I655-L668 HydrophobicContact CG2-CD1 4.2Å; L660-L668 HydrophobicContact CD1-CD1 4.2Å; E664-L668 WeakPolarHBondContact O-CB 3.49Å; E664-L668 WeakPolarHBondContact O-CG 3.38Å; E664-L668 PolarHBondContact O-N 3.22Å; R665-L668 PolarHBondContact O-N 3.11Å; L668-S670 VanDerWaalsContact C-N 3.34Å; L668-S670 PolarHBondContact O-N 2.93Å; L668-T671 WeakPolarHBondContact O-CB 3.32Å; L668-T671 PolarHBondContact O-N 2.91Å; L668-I672 WeakPolarHBondContact O-CG1 3.42Å; L668-I672 PolarHBondContact O-N 2.91Å
669	A	84.9	Confident	83.3	Confident	17 Å²	17	66 Å²	66	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-39.5	176.3	0	0	0	0	0	112.5	K652 R665 S673	K652-A669 HydrophobicContact CG-CB 4.47Å; R665-A669 VanDerWaalsContact O-CB 3.23Å; R665-A669 WeakPolarHBondContact O-CB 3.22Å; R665-A669 PolarHBondContact O-N 3.26Å; A669-S673 WeakPolarHBondContact O-CB 3.36Å; A669-S673 PolarHBondContact O-N 3.39Å; A669-S673 PolarHBondContact O-OG 2.99Å
670	S	84.3	Confident	82.4	Confident	70 Å²	70	67.9 Å²	67.9	49%	0.49	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-45.4	173.1	179.8	0	0	0	0	111.2	Q666 R667 L668 I672 S673 T674	Q666-S670 WeakPolarHBondContact O-CB 3.48Å; Q666-S670 PolarHBondContact O-N 2.87Å; R667-S670 PolarHBondContact O-N 3.36Å; L668-S670 VanDerWaalsContact C-N 3.34Å; L668-S670 PolarHBondContact O-N 2.93Å; S670-I672 PolarHBondContact O-N 2.87Å; S670-S673 WeakPolarHBondContact O-CA 3.43Å; S670-S673 WeakPolarHBondContact O-CB 3.44Å; S670-S673 PolarHBondContact O-N 2.99Å; S670-S673 VanDerWaalsContact O-N 3.11Å; S670-T674 PolarHBondContact O-N 3.03Å; S670-T674 PolarHBondContact O-OG1 3.32Å; S670-T674 VanDerWaalsContact O-OG1 3.11Å
671	T	83.2	Confident	81.2	Confident	14 Å²	14	74 Å²	74	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-45.5	178	-54.5	0	0	0	0	111.7	L611 F614 R667 L668 S673 T674 I675	L611-T671 HydrophobicContact CD2-CG2 3.74Å; L611-T671 WeakPolarHBondContact CD2-OG1 3.43Å; F614-T671 HydrophobicContact CD2-CG2 4.3Å; F614-T671 HydrophobicContact CE2-CG2 3.87Å; R667-T671 WeakPolarHBondContact O-CB 3.48Å; R667-T671 PolarHBondContact O-N 2.81Å; R667-T671 PolarHBondContact O-OG1 2.87Å; L668-T671 WeakPolarHBondContact O-CB 3.32Å; L668-T671 PolarHBondContact O-N 2.91Å; T671-S673 VanDerWaalsContact C-N 3.29Å; T671-S673 PolarHBondContact O-N 3.34Å; T671-T674 WeakPolarHBondContact O-CB 3.47Å; T671-T674 PolarHBondContact O-N 3.08Å; T671-T674 VanDerWaalsContact O-N 3.16Å; T671-I675 HydrophobicContact CG2-CD1 4.25Å; T671-I675 WeakPolarHBondContact O-CG1 3.41Å; T671-I675 PolarHBondContact O-N 2.84Å
672	I	85.3	Confident	79.7	Confident	8 Å²	8	72.5 Å²	72.5	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-41.6	175.3	-69.8	169.4	0	0	0	110.9	L648 L651 K652 I655 L668 S670 T674 I675 R676	L648-I672 HydrophobicContact CB-CG2 4.32Å; L648-I672 HydrophobicContact CD2-CG2 4.38Å; L651-I672 HydrophobicContact CD2-CD1 3.96Å; L651-I672 HydrophobicContact CD2-CG1 4.47Å; L651-I672 HydrophobicContact CG-CD1 3.95Å; K652-I672 HydrophobicContact CB-CD1 4.48Å; I655-I672 HydrophobicContact CD1-CD1 3.46Å; I655-I672 VanDerWaalsContact CD1-CD1 3.46Å; L668-I672 WeakPolarHBondContact O-CG1 3.42Å; L668-I672 PolarHBondContact O-N 2.91Å; S670-I672 PolarHBondContact O-N 2.87Å; I672-T674 VanDerWaalsContact C-N 3.33Å; I672-T674 PolarHBondContact O-N 3.42Å; I672-I675 PolarHBondContact O-N 3.29Å; I672-R676 WeakPolarHBondContact O-CB 3.39Å; I672-R676 PolarHBondContact O-N 3.38Å
673	S	84.8	Confident	78.1	Confident	44 Å²	44	71.8 Å²	71.8	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-38.8	176.9	-56.3	0	0	0	0	111.8	A669 S670 T671 R676 K677	A669-S673 WeakPolarHBondContact O-CB 3.36Å; A669-S673 PolarHBondContact O-N 3.39Å; A669-S673 PolarHBondContact O-OG 2.99Å; S670-S673 WeakPolarHBondContact O-CA 3.43Å; S670-S673 WeakPolarHBondContact O-CB 3.44Å; S670-S673 PolarHBondContact O-N 2.99Å; S670-S673 VanDerWaalsContact O-N 3.11Å; T671-S673 VanDerWaalsContact C-N 3.29Å; T671-S673 PolarHBondContact O-N 3.34Å; S673-R676 PolarHBondContact O-N 3.47Å; S673-K677 WeakPolarHBondContact O-CG 3.05Å; S673-K677 PolarHBondContact O-N 3.3Å
674	T	82.7	Confident	76.3	Confident	51 Å²	51	73.3 Å²	73.3	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-45.4	174.7	-57.6	0	0	0	0	111.8	F614 S670 T671 I672 R676 K677 L678	F614-T674 HydrophobicContact CD1-CG2 4.48Å; F614-T674 HydrophobicContact CE1-CG2 3.5Å; F614-T674 HydrophobicContact CZ-CG2 3.76Å; S670-T674 PolarHBondContact O-N 3.03Å; S670-T674 PolarHBondContact O-OG1 3.32Å; S670-T674 VanDerWaalsContact O-OG1 3.11Å; T671-T674 WeakPolarHBondContact O-CB 3.47Å; T671-T674 PolarHBondContact O-N 3.08Å; T671-T674 VanDerWaalsContact O-N 3.16Å; I672-T674 VanDerWaalsContact C-N 3.33Å; I672-T674 PolarHBondContact O-N 3.42Å; T674-R676 VanDerWaalsContact C-N 3.3Å; T674-R676 PolarHBondContact O-N 3.25Å; T674-K677 PolarHBondContact O-N 3.07Å; T674-L678 HydrophobicContact CG2-CD1 4.16Å; T674-L678 WeakPolarHBondContact O-CG 3.4Å; T674-L678 PolarHBondContact O-N 3.13Å
675	I	81.6	Confident	74.5	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-57.3	-45.4	175.6	-70.8	176.7	0	0	0	110.8	F614 L630 A631 Y634 T671 I672 L678 G679	F614-I675 HydrophobicContact CE2-CG1 4.49Å; F614-I675 HydrophobicContact CZ-CG1 4.36Å; L630-I675 HydrophobicContact CB-CD1 4.23Å; L630-I675 HydrophobicContact CD2-CD1 3.63Å; L630-I675 HydrophobicContact CG-CD1 4.18Å; A631-I675 HydrophobicContact CB-CG1 3.94Å; Y634-I675 HydrophobicContact CD1-CG2 4.04Å; Y634-I675 HydrophobicContact CG-CG2 4.07Å; T671-I675 HydrophobicContact CG2-CD1 4.25Å; T671-I675 WeakPolarHBondContact O-CG1 3.41Å; T671-I675 PolarHBondContact O-N 2.84Å; I672-I675 PolarHBondContact O-N 3.29Å; I675-L678 PolarHBondContact O-N 2.93Å; I675-G679 PolarHBondContact O-N 3.44Å; I675-G679 VanDerWaalsContact O-N 3.11Å
676	R	82.2	Confident	72.4	Confident	86 Å²	86	83.2 Å²	83.2	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-49.1	176.7	178.8	175.1	162.8	173.5	-6.2	111.8	L648 D649 I672 S673 T674 L678 G679 E680	L648-R676 HydrophobicContact CD1-CB 4.2Å; D649-R676 IonicContact OD1-NH1 3.8Å; D649-R676 PolarHBondContact OD1-NH1 3.36Å; D649-R676 IonicContact OD2-NH1 3.82Å; I672-R676 WeakPolarHBondContact O-CB 3.39Å; I672-R676 PolarHBondContact O-N 3.38Å; S673-R676 PolarHBondContact O-N 3.47Å; T674-R676 VanDerWaalsContact C-N 3.3Å; T674-R676 PolarHBondContact O-N 3.25Å; R676-L678 PolarHBondContact O-N 3.14Å; R676-G679 PolarHBondContact O-N 2.91Å; R676-G679 VanDerWaalsContact O-N 3.14Å; R676-E680 WeakPolarHBondContact CG-OE1 3.19Å; R676-E680 IonicContact CZ-OE1 2.75Å; R676-E680 IonicContact NE-OE1 3.29Å; R676-E680 PolarHBondContact NE-OE1 3.01Å; R676-E680 IonicContact NH2-OE1 2.65Å; R676-E680 WeakPolarHBondContact O-CG 2.89Å; R676-E680 PolarHBondContact O-N 3.41Å
677	K	80.3	Confident	70.3	Confident	135 Å²	135	82.7 Å²	82.7	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-59	-45.3	178.4	-77.9	177.1	177.3	-177.5	0	112.5	S673 T674 G679 E680 Q681	S673-K677 WeakPolarHBondContact O-CG 3.05Å; S673-K677 PolarHBondContact O-N 3.3Å; T674-K677 PolarHBondContact O-N 3.07Å; K677-G679 VanDerWaalsContact C-N 3.26Å; K677-G679 PolarHBondContact O-N 2.75Å; K677-E680 PolarHBondContact O-N 3.43Å; K677-E680 VanDerWaalsContact O-N 3.13Å; K677-Q681 WeakPolarHBondContact O-CG 3.24Å; K677-Q681 PolarHBondContact O-N 3.18Å
678	L	73.1	Confident	68	Low	67 Å²	67	82.1 Å²	82.1	35%	0.351	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-36.7	176.8	-72.1	169.7	0	0	0	111.9	F614 A631 T674 I675 R676	F614-L678 HydrophobicContact CE1-CD1 4.17Å; F614-L678 HydrophobicContact CZ-CD1 4.25Å; A631-L678 HydrophobicContact CB-CD1 3.92Å; T674-L678 HydrophobicContact CG2-CD1 4.16Å; T674-L678 WeakPolarHBondContact O-CG 3.4Å; T674-L678 PolarHBondContact O-N 3.13Å; I675-L678 PolarHBondContact O-N 2.93Å; R676-L678 PolarHBondContact O-N 3.14Å
679	G	70.7	Confident	66	Low	2 Å²	2	90.3 Å²	90.3	2%	0.021	45%	0.446	C	S	.	.	H	α-helix	trans	-74.3	-22.4	176	0	0	0	0	0	115.2	I675 R676 K677	I675-G679 PolarHBondContact O-N 3.44Å; I675-G679 VanDerWaalsContact O-N 3.11Å; R676-G679 PolarHBondContact O-N 2.91Å; R676-G679 VanDerWaalsContact O-N 3.14Å; K677-G679 VanDerWaalsContact C-N 3.26Å; K677-G679 PolarHBondContact O-N 2.75Å
680	E	71	Confident	63.9	Low	76 Å²	76	94.6 Å²	94.6	36%	0.355	47%	0.466	S	S	.	.	H	α-helix	trans	-83.5	-39.5	175.6	-73	170.9	-175.7	0	0	111.7	R676 K677 K682 R683	R676-E680 WeakPolarHBondContact CG-OE1 3.19Å; R676-E680 IonicContact CZ-OE1 2.75Å; R676-E680 IonicContact NE-OE1 3.29Å; R676-E680 PolarHBondContact NE-OE1 3.01Å; R676-E680 IonicContact NH2-OE1 2.65Å; R676-E680 WeakPolarHBondContact O-CG 2.89Å; R676-E680 PolarHBondContact O-N 3.41Å; K677-E680 PolarHBondContact O-N 3.43Å; K677-E680 VanDerWaalsContact O-N 3.13Å; E680-K682 VanDerWaalsContact C-N 3.3Å; E680-K682 PolarHBondContact O-N 2.98Å; E680-R683 VanDerWaalsContact O-CB 3.26Å; E680-R683 WeakPolarHBondContact O-CB 3.5Å; E680-R683 PolarHBondContact O-N 3.34Å
681	Q	59.5	Low	61.6	Low	139 Å²	139	100.8 Å²	100.8	65%	0.65	49%	0.487	S	S	*	.	H	α-helix	trans	-60.7	-32.7	-178.3	-76.7	177.2	-22.6	0	0	113.8	K677	K677-Q681 WeakPolarHBondContact O-CG 3.24Å; K677-Q681 PolarHBondContact O-N 3.18Å
682	K	53.8	Low	59.2	Low	111 Å²	111	109.6 Å²	109.6	48%	0.483	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.4	173.9	-81.7	-172.7	171.9	178.6	0	114.4	H636 E680 F684 Q685	H636-K682 PolarHBondContact NE2-NZ 3.18Å; E680-K682 VanDerWaalsContact C-N 3.3Å; E680-K682 PolarHBondContact O-N 2.98Å; K682-F684 PolarHBondContact O-N 3.28Å; K682-Q685 PolarHBondContact O-N 3.45Å
683	R	50.5	Low	57	Low	128 Å²	128	116.5 Å²	116.5	48%	0.483	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-67.6	-23.3	-179.5	-151.2	-179.5	-171.9	-177.3	2.9	112.1	E680 Q685	E680-R683 VanDerWaalsContact O-CB 3.26Å; E680-R683 WeakPolarHBondContact O-CB 3.5Å; E680-R683 PolarHBondContact O-N 3.34Å; R683-Q685 VanDerWaalsContact C-N 3.28Å; R683-Q685 PolarHBondContact O-N 3.43Å
684	F	48.2	Very low	54.5	Low	192 Å²	192	123.7 Å²	123.7	84%	0.842	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-75	-8.5	177.3	-85.6	-82.6	0	0	0	114.8	K682	K682-F684 PolarHBondContact O-N 3.28Å
685	Q	47	Very low	52.2	Low	178 Å²	178	128 Å²	128	83%	0.832	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-98.7	-8.4	175.7	-76.6	-177	-6.2	0	0	114.2	K682 R683	K682-Q685 PolarHBondContact O-N 3.45Å; R683-Q685 VanDerWaalsContact C-N 3.28Å; R683-Q685 PolarHBondContact O-N 3.43Å
686	M	41.7	Very low	49.9	Very low	158 Å²	158	135.1 Å²	135.1	78%	0.778	65%	0.645	S	S	*	*	S	Bend	trans	-130	115.4	178.2	-80.1	-171.6	156.7	0	0	110.4
687	D	42.2	Very low	47.9	Very low	106 Å²	106	138.4 Å²	138.4	57%	0.567	67%	0.669	S	S	*	*			trans	88.5	96.2	168.1	-76.7	-27.3	0	0	0	120.6	K689 L690	D687-K689 HydrophobicContact CB-CB 4.36Å; D687-K689 PolarHBondContact O-N 3.49Å; D687-L690 HydrophobicContact CB-CB 4.37Å; D687-L690 HydrophobicContact CB-CD1 4.03Å; D687-L690 HydrophobicContact CB-CG 4.41Å
688	S	36.6	Very low	46	Very low	132 Å²	132	138.2 Å²	138.2	92%	0.923	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	15.1	139.7	59.9	0	0	0	0	114.1
689	K	41.5	Very low	44.9	Very low	180 Å²	180	142.8 Å²	142.8	78%	0.783	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	0.9	-175	-86.2	-176.7	176.5	177.2	0	116.9	D687	D687-K689 HydrophobicContact CB-CB 4.36Å; D687-K689 PolarHBondContact O-N 3.49Å
690	L	42.2	Very low	44.1	Very low	108 Å²	108	145.8 Å²	145.8	57%	0.565	71%	0.708	S	S	*	*			trans	-100.5	17.9	-175.1	-95	157.8	0	0	0	116.1	D687 K692	D687-L690 HydrophobicContact CB-CB 4.37Å; D687-L690 HydrophobicContact CB-CD1 4.03Å; D687-L690 HydrophobicContact CB-CG 4.41Å; L690-K692 PolarHBondContact O-N 2.95Å
691	Q	34.7	Very low	43.7	Very low	199 Å²	199	146.5 Å²	146.5	93%	0.93	71%	0.714	S	S	*	*			trans	-88.9	22.2	-179.3	-99.1	-173.7	8.2	0	0	116.2
692	K	34.7	Very low	44.4	Very low	200 Å²	200	141.2 Å²	141.2	87%	0.87	69%	0.69	S	S	*	*			trans	-136.2	69	174.7	-77.8	-173.8	177.8	177.7	0	112.9	L690	L690-K692 PolarHBondContact O-N 2.95Å
693	I	39	Very low	45.4	Very low	153 Å²	153	138.8 Å²	138.8	79%	0.785	68%	0.679	S	S	*	*			trans	-135.1	84.8	150.7	-55.7	179.4	0	0	0	106.6
694	K	31.5	Very low	46.5	Very low	194 Å²	194	135.3 Å²	135.3	84%	0.843	67%	0.669	S	S	*	*			trans	-88.9	133	161.4	-85.1	-175.3	174.1	-178.2	0	107.2
695	N	33.9	Very low	48	Very low	142 Å²	142	128.1 Å²	128.1	76%	0.759	64%	0.637	S	S	*	*			trans	53.9	97.9	160.3	-63.9	-4.2	0	0	0	116.4
696	N	33.8	Very low	49.8	Very low	152 Å²	152	119.8 Å²	119.8	81%	0.813	60%	0.598	S	S	*	*				-174.7	135.3	125	-87.8	-20.6	0	0	0	110.8
697	N	39.2	Very low	51.5	Low	154 Å²	154	112.3 Å²	112.3	82%	0.824	56%	0.561	S	S	*	*			trans	73.2	73.4	170.1	-61.7	-7.9	0	0	0	118.7
698	H	42.2	Very low	53.2	Low	132 Å²	132	108.5 Å²	108.5	61%	0.611	54%	0.54	S	S	*	.			trans	-105	71.4	160.3	-75.9	-36.2	0	0	0	111.7	I642	I642-H698 WeakPolarHBondContact CG2-CE1 3.49Å
699	N	49.3	Very low	55.3	Low	162 Å²	162	102.4 Å²	102.4	87%	0.866	50%	0.497	S	S	*	.			trans	-146.3	33	167.4	-106.4	-2.1	0	0	0	112.6
700	E	54.5	Low	57.1	Low	65 Å²	65	95.1 Å²	95.1	30%	0.304	47%	0.466	S	S	.	.	S	Bend	trans	-83.9	136.3	159	-91.8	-179.2	160	0	0	109.1	R643 I702	R643-E700 IonicContact CZ-OE2 2.89Å; R643-E700 IonicContact NH1-OE2 3.93Å; R643-E700 PolarHBondContact NH1-OE2 3.3Å; E700-I702 PolarHBondContact O-N 2.74Å
701	L	62.6	Low	58.6	Low	91 Å²	91	90.2 Å²	90.2	48%	0.476	44%	0.441	S	S	.	.			trans	-70.6	74	-179.2	-58.5	167	0	0	0	109.7	F703 E704	L701-F703 HydrophobicContact CB-CD1 4.19Å; L701-F703 HydrophobicContact CB-CE1 3.64Å; L701-F703 HydrophobicContact CB-CE2 4.47Å; L701-F703 HydrophobicContact CB-CZ 3.79Å; L701-F703 HydrophobicContact CD1-CZ 4.3Å; L701-F703 HydrophobicContact CD2-CE1 3.39Å; L701-F703 HydrophobicContact CD2-CZ 3.63Å; L701-F703 HydrophobicContact CG-CE1 4.05Å; L701-F703 HydrophobicContact CG-CZ 4.09Å; L701-F703 PolarHBondContact O-N 2.72Å; L701-E704 HydrophobicContact CB-CG 3.85Å; L701-E704 WeakPolarHBondContact O-CB 3Å; L701-E704 PolarHBondContact O-N 3Å
702	I	73	Confident	60.3	Low	28 Å²	28	82.1 Å²	82.1	14%	0.144	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-51.3	-34.6	-177	-67.1	164.2	0	0	0	111.4	R643 N646 L647 E700 E704 K705	R643-I702 HydrophobicContact CB-CD1 4.12Å; R643-I702 HydrophobicContact CB-CG1 4.4Å; R643-I702 HydrophobicContact CG-CD1 3.84Å; R643-I702 HydrophobicContact CG-CG1 4.24Å; N646-I702 HydrophobicContact CB-CD1 3.87Å; N646-I702 HydrophobicContact CB-CG2 4.29Å; L647-I702 HydrophobicContact CB-CG2 3.86Å; L647-I702 HydrophobicContact CD1-CG2 3.93Å; L647-I702 VanDerWaalsContact CD1-O 3.31Å; L647-I702 WeakPolarHBondContact CD1-O 3.25Å; E700-I702 PolarHBondContact O-N 2.74Å; I702-E704 PolarHBondContact O-N 3.28Å; I702-K705 WeakPolarHBondContact O-CB 3.37Å; I702-K705 PolarHBondContact O-N 3.31Å
703	F	75.2	Confident	62.3	Low	60 Å²	60	73.1 Å²	73.1	26%	0.263	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-60.7	-24.8	178.2	66.4	-96.8	0	0	0	114.2	E650 L701 K705 V706 W754	E650-F703 HydrophobicContact CG-CB 3.66Å; L701-F703 HydrophobicContact CB-CD1 4.19Å; L701-F703 HydrophobicContact CB-CE1 3.64Å; L701-F703 HydrophobicContact CB-CE2 4.47Å; L701-F703 HydrophobicContact CB-CZ 3.79Å; L701-F703 HydrophobicContact CD1-CZ 4.3Å; L701-F703 HydrophobicContact CD2-CE1 3.39Å; L701-F703 HydrophobicContact CD2-CZ 3.63Å; L701-F703 HydrophobicContact CG-CE1 4.05Å; L701-F703 HydrophobicContact CG-CZ 4.09Å; L701-F703 PolarHBondContact O-N 2.72Å; F703-K705 PolarHBondContact O-N 2.81Å; F703-V706 WeakPolarHBondContact O-CB 3.46Å; F703-V706 WeakPolarHBondContact O-CG2 3.21Å; F703-V706 PolarHBondContact O-N 2.88Å; F703-W754 WeakPolarHBondContact O-CZ2 3.29Å
704	E	73.9	Confident	63.9	Low	56 Å²	56	67 Å²	67	26%	0.262	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-68.3	-21.5	175.5	-63.3	-172.4	154.3	0	0	112.4	L701 I702 V706 T745 W754	L701-E704 HydrophobicContact CB-CG 3.85Å; L701-E704 WeakPolarHBondContact O-CB 3Å; L701-E704 PolarHBondContact O-N 3Å; I702-E704 PolarHBondContact O-N 3.28Å; E704-V706 VanDerWaalsContact C-N 3.34Å; E704-T745 HydrophobicContact CB-CG2 4.11Å; E704-T745 HydrophobicContact CG-CG2 4.29Å; E704-W754 HydrophobicContact CB-CH2 4.5Å
705	K	79.6	Confident	65.6	Low	40 Å²	40	57.7 Å²	57.7	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-83	-7.2	177.5	-61.2	-59.7	-171.2	175.4	0	114	L647 I702 F703 G707 E708 L709 F716 R722 F723	L647-K705 HydrophobicContact CD1-CB 3.88Å; L647-K705 HydrophobicContact CD2-CB 4.24Å; I702-K705 WeakPolarHBondContact O-CB 3.37Å; I702-K705 PolarHBondContact O-N 3.31Å; F703-K705 PolarHBondContact O-N 2.81Å; K705-G707 VanDerWaalsContact C-N 3.28Å; K705-G707 PolarHBondContact O-N 2.96Å; K705-E708 VanDerWaalsContact CD-OE2 3.27Å; K705-E708 WeakPolarHBondContact CD-OE2 3.31Å; K705-E708 IonicContact NZ-OE1 3.91Å; K705-E708 PolarHBondContact NZ-OE1 3.3Å; K705-E708 IonicContact NZ-OE2 2.91Å; K705-E708 PolarHBondContact NZ-OE2 3.25Å; K705-E708 PolarHBondContact O-N 3.2Å; K705-L709 WeakPolarHBondContact O-CB 3.5Å; K705-L709 PolarHBondContact O-N 3.44Å; K705-F716 HydrophobicContact CB-CE2 4.28Å; K705-F716 HydrophobicContact CB-CZ 4.03Å; K705-R722 WeakPolarHBondContact CE-O 3.44Å; K705-F723 HydrophobicContact CB-CE1 4.37Å; K705-F723 HydrophobicContact CG-CD1 4.05Å; K705-F723 HydrophobicContact CG-CE1 4.17Å
706	V	83.7	Confident	67.7	Low	4 Å²	4	51 Å²	51	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-39.3	175.1	177	0	0	0	0	110.5	L647 E650 L651 F703 E704 L709 Q710	L647-V706 HydrophobicContact CD1-CB 4.46Å; L647-V706 HydrophobicContact CD1-CG2 3.63Å; E650-V706 HydrophobicContact CB-CG2 4Å; E650-V706 HydrophobicContact CG-CG2 3.68Å; L651-V706 HydrophobicContact CD1-CG1 3.97Å; F703-V706 WeakPolarHBondContact O-CB 3.46Å; F703-V706 WeakPolarHBondContact O-CG2 3.21Å; F703-V706 PolarHBondContact O-N 2.88Å; E704-V706 VanDerWaalsContact C-N 3.34Å; V706-L709 PolarHBondContact O-N 2.99Å; V706-Q710 HydrophobicContact CG1-CG 4.37Å; V706-Q710 WeakPolarHBondContact O-CB 3.4Å; V706-Q710 VanDerWaalsContact O-CG 3.28Å; V706-Q710 WeakPolarHBondContact O-CG 3.34Å; V706-Q710 PolarHBondContact O-N 3.14Å
707	G	78.6	Confident	69.9	Low	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-44.1	176.2	0	0	0	0	0	112.6	K705 A711 W754	K705-G707 VanDerWaalsContact C-N 3.28Å; K705-G707 PolarHBondContact O-N 2.96Å; G707-A711 VanDerWaalsContact O-CB 3.24Å; G707-A711 WeakPolarHBondContact O-CB 3.48Å; G707-A711 PolarHBondContact O-N 3.35Å; G707-W754 VanDerWaalsContact CA-CD1 3.42Å; G707-W754 VanDerWaalsContact CA-CG 3.43Å
708	E	76.8	Confident	71.5	Confident	26 Å²	26	38.2 Å²	38.2	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-48.8	175	-72.4	176.6	-153.1	0	0	111.2	K705 Q710 A711 Q712 F716 V743	K705-E708 VanDerWaalsContact CD-OE2 3.27Å; K705-E708 WeakPolarHBondContact CD-OE2 3.31Å; K705-E708 IonicContact NZ-OE1 3.91Å; K705-E708 PolarHBondContact NZ-OE1 3.3Å; K705-E708 IonicContact NZ-OE2 2.91Å; K705-E708 PolarHBondContact NZ-OE2 3.25Å; K705-E708 PolarHBondContact O-N 3.2Å; E708-Q710 VanDerWaalsContact C-N 3.34Å; E708-Q710 PolarHBondContact O-N 2.91Å; E708-A711 PolarHBondContact O-N 3.47Å; E708-A711 VanDerWaalsContact O-N 3.13Å; E708-Q712 WeakPolarHBondContact O-CB 3.35Å; E708-Q712 VanDerWaalsContact O-CG 3.26Å; E708-Q712 WeakPolarHBondContact O-CG 3.37Å; E708-Q712 PolarHBondContact O-N 3.31Å; E708-F716 HydrophobicContact CB-CD2 4.16Å; E708-F716 HydrophobicContact CB-CE2 3.99Å; E708-V743 HydrophobicContact CG-CB 4.13Å; E708-V743 HydrophobicContact CG-CG2 4.5Å
709	L	80.7	Confident	72.8	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-54.5	-47.6	176.7	172.2	62.6	0	0	0	112	L630 L647 L651 K705 V706 Q712 G713 F716 W717	L630-L709 HydrophobicContact CD1-CD1 4.36Å; L647-L709 HydrophobicContact CD2-CB 4.21Å; L647-L709 HydrophobicContact CD2-CD2 3.98Å; L647-L709 HydrophobicContact CG-CD2 3.98Å; L651-L709 HydrophobicContact CB-CD2 4.47Å; L651-L709 HydrophobicContact CD2-CD2 3.92Å; K705-L709 WeakPolarHBondContact O-CB 3.5Å; K705-L709 PolarHBondContact O-N 3.44Å; V706-L709 PolarHBondContact O-N 2.99Å; L709-Q712 PolarHBondContact O-N 3.4Å; L709-G713 WeakPolarHBondContact O-CA 3.47Å; L709-G713 PolarHBondContact O-N 3.3Å; L709-F716 HydrophobicContact CB-CD1 4.27Å; L709-F716 HydrophobicContact CB-CD2 4.2Å; L709-F716 HydrophobicContact CB-CG 4.06Å; L709-F716 HydrophobicContact CD1-CB 3.72Å; L709-F716 HydrophobicContact CD1-CD1 3.78Å; L709-F716 HydrophobicContact CD1-CG 3.84Å; L709-W717 HydrophobicContact CD1-CZ2 3.79Å; L709-W717 HydrophobicContact CD2-CZ2 3.99Å
710	Q	81	Confident	73.9	Confident	27 Å²	27	27.6 Å²	27.6	13%	0.126	15%	0.145	C	C	.	.	H	α-helix	trans	-66.5	-38.4	178.3	-69.6	-174.1	100.2	0	0	112.3	I525 P526 W602 L651 V706 E708	I525-Q710 HydrophobicContact CG2-CB 3.8Å; P526-Q710 PolarHBondContact O-NE2 3.32Å; P526-Q710 PolarHBondContact O-OE1 2.85Å; W602-Q710 VanDerWaalsContact CE2-OE1 3.23Å; L651-Q710 HydrophobicContact CD1-CG 3.91Å; V706-Q710 HydrophobicContact CG1-CG 4.37Å; V706-Q710 WeakPolarHBondContact O-CB 3.4Å; V706-Q710 VanDerWaalsContact O-CG 3.28Å; V706-Q710 WeakPolarHBondContact O-CG 3.34Å; V706-Q710 PolarHBondContact O-N 3.14Å; E708-Q710 VanDerWaalsContact C-N 3.34Å; E708-Q710 PolarHBondContact O-N 2.91Å
711	A	72.9	Confident	74.7	Confident	6 Å²	6	28.8 Å²	28.8	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-70.5	-34.2	179	0	0	0	0	0	113.3	I525 G707 E708 V743 K756	I525-A711 HydrophobicContact CD1-CB 3.6Å; G707-A711 VanDerWaalsContact O-CB 3.24Å; G707-A711 WeakPolarHBondContact O-CB 3.48Å; G707-A711 PolarHBondContact O-N 3.35Å; E708-A711 PolarHBondContact O-N 3.47Å; E708-A711 VanDerWaalsContact O-N 3.13Å; A711-V743 HydrophobicContact CB-CG2 3.38Å; A711-K756 HydrophobicContact CB-CD 3.89Å; A711-K756 PolarHBondContact O-NZ 2.95Å
712	Q	70	Confident	75.2	Confident	28 Å²	28	24.9 Å²	24.9	13%	0.131	13%	0.132	C	C	.	.	H	α-helix	trans	-93.3	-33.1	-173	-73.9	-163.1	4.9	0	0	112.9	E708 L709 A715 F716 T996 E998	E708-Q712 WeakPolarHBondContact O-CB 3.35Å; E708-Q712 VanDerWaalsContact O-CG 3.26Å; E708-Q712 WeakPolarHBondContact O-CG 3.37Å; E708-Q712 PolarHBondContact O-N 3.31Å; L709-Q712 PolarHBondContact O-N 3.4Å; Q712-A715 HydrophobicContact CB-CB 4.26Å; Q712-A715 WeakPolarHBondContact O-CB 3.48Å; Q712-F716 HydrophobicContact CB-CB 4.08Å; Q712-T996 VanDerWaalsContact CA-CG2 3.49Å; Q712-T996 HydrophobicContact CB-CG2 3.5Å; Q712-T996 HydrophobicContact CG-CG2 3.62Å; Q712-T996 WeakPolarHBondContact O-CG2 3.39Å; Q712-E998 PolarHBondContact NE2-OE1 3.41Å; Q712-E998 PolarHBondContact NE2-OE2 3.28Å
713	G	76.1	Confident	75.4	Confident	12 Å²	12	24 Å²	24	12%	0.124	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-138.7	-177.3	0	0	0	0	0	112.7	L630 L709 A715 F716	L630-G713 VanDerWaalsContact CD1-C 3.42Å; L630-G713 WeakPolarHBondContact CD1-O 3.43Å; L709-G713 WeakPolarHBondContact O-CA 3.47Å; L709-G713 PolarHBondContact O-N 3.3Å; G713-A715 PolarHBondContact O-N 2.95Å; G713-A715 VanDerWaalsContact O-N 3.1Å; G713-F716 PolarHBondContact O-N 3.46Å; G713-F716 VanDerWaalsContact O-N 3.12Å
714	S	73.3	Confident	75	Confident	23 Å²	23	25.7 Å²	25.7	16%	0.161	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.6	-178.4	52.3	0	0	0	0	113.3	D628 A633 F716 W717	D628-S714 VanDerWaalsContact O-CB 3.25Å; D628-S714 WeakPolarHBondContact O-CB 3.36Å; D628-S714 PolarHBondContact O-OG 3.48Å; A633-S714 WeakPolarHBondContact CB-O 3.45Å; S714-F716 VanDerWaalsContact C-N 3.31Å; S714-F716 PolarHBondContact O-N 3.07Å; S714-W717 PolarHBondContact O-N 3.42Å
715	A	66.5	Low	74	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-52.1	-37.4	175.9	0	0	0	0	0	118.3	Q712 G713 W717 L718 N719 T996 Q999	Q712-A715 HydrophobicContact CB-CB 4.26Å; Q712-A715 WeakPolarHBondContact O-CB 3.48Å; G713-A715 PolarHBondContact O-N 2.95Å; G713-A715 VanDerWaalsContact O-N 3.1Å; A715-W717 PolarHBondContact O-N 2.9Å; A715-W717 VanDerWaalsContact O-N 3.12Å; A715-L718 PolarHBondContact O-N 3.37Å; A715-N719 PolarHBondContact O-N 2.61Å; A715-T996 HydrophobicContact CB-CG2 3.01Å; A715-T996 WeakPolarHBondContact CB-OG1 3.49Å; A715-Q999 HydrophobicContact CB-CB 4.48Å; A715-Q999 HydrophobicContact CB-CG 3.6Å
716	F	78.8	Confident	72	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-37.3	-172.7	179.7	-90	0	0	0	110.6	L647 K705 E708 L709 Q712 G713 S714 N719 R722 F723	L647-F716 HydrophobicContact CD2-CD1 3.99Å; L647-F716 HydrophobicContact CD2-CE1 3.13Å; L647-F716 HydrophobicContact CD2-CE2 4.42Å; L647-F716 HydrophobicContact CD2-CZ 3.4Å; L647-F716 VanDerWaalsContact CD2-CZ 3.4Å; K705-F716 HydrophobicContact CB-CE2 4.28Å; K705-F716 HydrophobicContact CB-CZ 4.03Å; E708-F716 HydrophobicContact CB-CD2 4.16Å; E708-F716 HydrophobicContact CB-CE2 3.99Å; L709-F716 HydrophobicContact CB-CD1 4.27Å; L709-F716 HydrophobicContact CB-CD2 4.2Å; L709-F716 HydrophobicContact CB-CG 4.06Å; L709-F716 HydrophobicContact CD1-CB 3.72Å; L709-F716 HydrophobicContact CD1-CD1 3.78Å; L709-F716 HydrophobicContact CD1-CG 3.84Å; Q712-F716 HydrophobicContact CB-CB 4.08Å; G713-F716 PolarHBondContact O-N 3.46Å; G713-F716 VanDerWaalsContact O-N 3.12Å; S714-F716 VanDerWaalsContact C-N 3.31Å; S714-F716 PolarHBondContact O-N 3.07Å; F716-N719 PolarHBondContact O-N 3.34Å; F716-R722 HydrophobicContact CE1-CB 4.37Å; F716-R722 HydrophobicContact CE1-CG 4.38Å; F716-R722 HydrophobicContact CE2-CB 4.32Å; F716-R722 HydrophobicContact CZ-CB 4.08Å; F716-R722 HydrophobicContact CZ-CG 4.39Å; F716-R722 WeakPolarHBondContact O-CD 3.43Å; F716-F723 HydrophobicContact CE1-CZ 4.39Å; F716-F723 HydrophobicContact CZ-CE1 4.18Å; F716-F723 HydrophobicContact CZ-CZ 4.43Å
717	W	79.9	Confident	69.5	Low	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-75	-23	-178.6	-58.2	120.9	0	0	0	114.4	A633 Y634 R637 I638 D644 L647 L648 L709 S714 A715	A633-W717 WeakPolarHBondContact O-CB 3.43Å; Y634-W717 AromaticContact CD2-CD2 3.44Å; Y634-W717 HydrophobicContact CD2-CD2 3.44Å; Y634-W717 VanDerWaalsContact CD2-CD2 3.44Å; Y634-W717 AromaticContact CD2-CE2 3.41Å; Y634-W717 VanDerWaalsContact CD2-CE2 3.41Å; Y634-W717 AromaticContact CD2-CE3 3.68Å; Y634-W717 HydrophobicContact CD2-CE3 3.68Å; Y634-W717 AromaticContact CD2-CG 3.94Å; Y634-W717 HydrophobicContact CD2-CG 3.94Å; Y634-W717 AromaticContact CD2-CH2 3.89Å; Y634-W717 HydrophobicContact CD2-CH2 3.89Å; Y634-W717 AromaticContact CD2-CZ2 3.65Å; Y634-W717 HydrophobicContact CD2-CZ2 3.65Å; Y634-W717 AromaticContact CD2-CZ3 3.91Å; Y634-W717 HydrophobicContact CD2-CZ3 3.91Å; Y634-W717 AromaticContact CD2-NE1 3.87Å; Y634-W717 HydrophobicContact CE2-CD2 4.12Å; Y634-W717 AromaticContact CE2-CE3 3.93Å; Y634-W717 HydrophobicContact CE2-CE3 3.93Å; Y634-W717 AromaticContact CE2-CH2 3.63Å; Y634-W717 HydrophobicContact CE2-CH2 3.63Å; Y634-W717 AromaticContact CE2-CZ2 3.82Å; Y634-W717 HydrophobicContact CE2-CZ2 3.82Å; Y634-W717 AromaticContact CE2-CZ3 3.7Å; Y634-W717 HydrophobicContact CE2-CZ3 3.7Å; Y634-W717 HydrophobicContact CG-CD2 4.45Å; R637-W717 VanDerWaalsContact CA-O 3.23Å; R637-W717 WeakPolarHBondContact CA-O 3.47Å; R637-W717 HydrophobicContact CB-CB 4.01Å; R637-W717 VanDerWaalsContact CB-O 3.23Å; R637-W717 WeakPolarHBondContact CB-O 3.46Å; I638-W717 PolarHBondContact N-O 3.12Å; D644-W717 HydrophobicContact CB-CE3 4.39Å; D644-W717 HydrophobicContact CB-CH2 4.26Å; D644-W717 HydrophobicContact CB-CZ3 3.56Å; D644-W717 WeakPolarHBondContact O-CH2 3.36Å; D644-W717 WeakPolarHBondContact OD1-CZ3 3.26Å; L647-W717 HydrophobicContact CB-CH2 4.33Å; L647-W717 HydrophobicContact CD2-CH2 4Å; L647-W717 HydrophobicContact CD2-CZ3 4.49Å; L647-W717 HydrophobicContact CG-CH2 4.49Å; L648-W717 HydrophobicContact CD2-CH2 4.38Å; L648-W717 HydrophobicContact CD2-CZ2 3.7Å; L648-W717 HydrophobicContact CG-CH2 4.09Å; L648-W717 HydrophobicContact CG-CZ2 3.88Å; L709-W717 HydrophobicContact CD1-CZ2 3.79Å; L709-W717 HydrophobicContact CD2-CZ2 3.99Å; S714-W717 PolarHBondContact O-N 3.42Å; A715-W717 PolarHBondContact O-N 2.9Å; A715-W717 VanDerWaalsContact O-N 3.12Å
718	L	72.6	Confident	67	Low	39 Å²	39	42.7 Å²	42.7	20%	0.204	25%	0.245	C	C	.	.	H	α-helix	trans	-83.7	-15.2	178.6	-61.8	177.1	0	0	0	111.9	A633 I638 A715 S720 Q999 L1002	A633-L718 HydrophobicContact CB-CD1 4.37Å; A633-L718 HydrophobicContact CB-CD2 4.38Å; A633-L718 HydrophobicContact CB-CG 4.16Å; I638-L718 WeakPolarHBondContact CD1-O 3.46Å; I638-L718 WeakPolarHBondContact CG1-O 3.42Å; A715-L718 PolarHBondContact O-N 3.37Å; L718-S720 PolarHBondContact O-N 3.44Å; L718-Q999 HydrophobicContact CB-CG 4.34Å; L718-Q999 HydrophobicContact CD1-CG 3.9Å; L718-L1002 HydrophobicContact CB-CD1 4.07Å; L718-L1002 VanDerWaalsContact O-CD1 3.22Å; L718-L1002 WeakPolarHBondContact O-CD1 3.28Å
719	N	69.1	Low	64.6	Low	24 Å²	24	48.8 Å²	48.8	13%	0.128	28%	0.279	C	S	.	.			trans	-75.4	119.3	176.7	-179.1	8.1	0	0	0	112	A715 F716 N721 R722 E998	A715-N719 PolarHBondContact O-N 2.61Å; F716-N719 PolarHBondContact O-N 3.34Å; N719-N721 VanDerWaalsContact C-N 3.25Å; N719-N721 PolarHBondContact O-N 3.37Å; N719-N721 PolarHBondContact OD1-N 3.06Å; N719-R722 HydrophobicContact CB-CB 4.07Å; N719-R722 WeakPolarHBondContact O-CD 3.42Å; N719-R722 WeakPolarHBondContact O-CG 3.24Å; N719-R722 PolarHBondContact O-NH1 3.4Å; N719-E998 HydrophobicContact CB-CB 3.69Å; N719-E998 HydrophobicContact CB-CG 4.02Å; N719-E998 VanDerWaalsContact ND2-CG 3.34Å; N719-E998 WeakPolarHBondContact ND2-CG 3.4Å
720	S	72.2	Confident	62.2	Low	46 Å²	46	58.9 Å²	58.9	32%	0.322	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.3	177.9	63.3	0	0	0	0	114	L718	L718-S720 PolarHBondContact O-N 3.44Å
721	N	71.6	Confident	59.7	Low	91 Å²	91	62.6 Å²	62.6	49%	0.487	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	23.3	-174.7	-59.7	7	0	0	0	110.9	N719 F723 D724	N719-N721 VanDerWaalsContact C-N 3.25Å; N719-N721 PolarHBondContact O-N 3.37Å; N719-N721 PolarHBondContact OD1-N 3.06Å; N721-F723 PolarHBondContact O-N 2.84Å; N721-F723 VanDerWaalsContact O-N 3.09Å; N721-D724 HydrophobicContact CB-CB 4.29Å; N721-D724 PolarHBondContact O-N 2.86Å; N721-D724 VanDerWaalsContact O-N 3.1Å
722	R	74.7	Confident	57.6	Low	9 Å²	9	69.7 Å²	69.7	3%	0.034	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.3	-173.8	63.1	-167.9	172.8	-78.2	-2.3	115	I638 K639 D644 K705 F716 N719	I638-R722 PolarHBondContact O-NH1 3.24Å; K639-R722 PolarHBondContact O-NH2 3.48Å; D644-R722 VanDerWaalsContact CG-NH2 3.25Å; D644-R722 IonicContact OD1-CZ 2.78Å; D644-R722 VanDerWaalsContact OD1-CZ 3.24Å; D644-R722 IonicContact OD1-NE 2.73Å; D644-R722 PolarHBondContact OD1-NE 3.46Å; D644-R722 IonicContact OD1-NH2 3.57Å; D644-R722 PolarHBondContact OD1-NH2 2.85Å; D644-R722 IonicContact OD2-CZ 3.15Å; D644-R722 IonicContact OD2-NH2 3.64Å; D644-R722 PolarHBondContact OD2-NH2 3.38Å; K705-R722 WeakPolarHBondContact CE-O 3.44Å; F716-R722 HydrophobicContact CE1-CB 4.37Å; F716-R722 HydrophobicContact CE1-CG 4.38Å; F716-R722 HydrophobicContact CE2-CB 4.32Å; F716-R722 HydrophobicContact CZ-CB 4.08Å; F716-R722 HydrophobicContact CZ-CG 4.39Å; F716-R722 WeakPolarHBondContact O-CD 3.43Å; N719-R722 HydrophobicContact CB-CB 4.07Å; N719-R722 WeakPolarHBondContact O-CD 3.42Å; N719-R722 WeakPolarHBondContact O-CG 3.24Å; N719-R722 PolarHBondContact O-NH1 3.4Å
723	F	77.3	Confident	55.6	Low	9 Å²	9	78.9 Å²	78.9	4%	0.039	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-10.4	175.8	-58.4	-64.8	0	0	0	113.8	R643 D644 L647 K705 F716 N721 Q725	R643-F723 HydrophobicContact CB-CD2 4.03Å; R643-F723 HydrophobicContact CB-CE1 4.21Å; R643-F723 HydrophobicContact CB-CE2 3.59Å; R643-F723 HydrophobicContact CB-CZ 3.71Å; D644-F723 VanDerWaalsContact OD1-CE2 3.27Å; D644-F723 WeakPolarHBondContact OD1-CE2 3.49Å; L647-F723 HydrophobicContact CD2-CE1 4.39Å; L647-F723 HydrophobicContact CD2-CZ 4.42Å; K705-F723 HydrophobicContact CB-CE1 4.37Å; K705-F723 HydrophobicContact CG-CD1 4.05Å; K705-F723 HydrophobicContact CG-CE1 4.17Å; F716-F723 HydrophobicContact CE1-CZ 4.39Å; F716-F723 HydrophobicContact CZ-CE1 4.18Å; F716-F723 HydrophobicContact CZ-CZ 4.43Å; N721-F723 PolarHBondContact O-N 2.84Å; N721-F723 VanDerWaalsContact O-N 3.09Å; F723-Q725 PolarHBondContact O-N 3.15Å
724	D	66.1	Low	53.3	Low	96 Å²	96	87.5 Å²	87.5	51%	0.513	45%	0.448	S	S	.	.			trans	-73.7	106.8	-173.3	-71.3	-20.8	0	0	0	110.5	N721 N726	N721-D724 HydrophobicContact CB-CB 4.29Å; N721-D724 PolarHBondContact O-N 2.86Å; N721-D724 VanDerWaalsContact O-N 3.1Å; D724-N726 PolarHBondContact O-N 2.95Å
725	Q	52.7	Low	51.4	Low	107 Å²	107	97.9 Å²	97.9	50%	0.5	48%	0.484	S	S	.	.			trans	-70.9	123.6	162.3	-60.7	-173.8	4.3	0	0	107.5	F723 S727	F723-Q725 PolarHBondContact O-N 3.15Å; Q725-S727 PolarHBondContact O-N 3.28Å; Q725-S727 PolarHBondContact O-OG 2.82Å
726	N	37.5	Very low	49.9	Very low	155 Å²	155	108.9 Å²	108.9	83%	0.829	53%	0.525	S	S	*	.			trans	-65.5	71.5	166.2	-91.7	-21.9	0	0	0	109.9	D724	D724-N726 PolarHBondContact O-N 2.95Å
727	S	31	Very low	47.9	Very low	96 Å²	96	116.6 Å²	116.6	67%	0.671	57%	0.566	S	S	*	*			trans	-110.4	49.7	-179.2	60.6	0	0	0	0	110.9	Q725	Q725-S727 PolarHBondContact O-N 3.28Å; Q725-S727 PolarHBondContact O-OG 2.82Å
728	S	26.7	Very low	46	Very low	99 Å²	99	120.4 Å²	120.4	69%	0.692	60%	0.598	S	S	*	*	S	Bend	trans	-145.5	84.8	159.8	61.3	0	0	0	0	109.2
729	N	26.7	Very low	44.6	Very low	154 Å²	154	124 Å²	124	82%	0.824	62%	0.621	S	S	*	*	S	Bend	trans	154.4	19.6	150.6	-77.3	-13.1	0	0	0	116.6
730	Y	30.3	Very low	43.5	Very low	215 Å²	215	127 Å²	127	84%	0.843	63%	0.631	S	S	*	*			trans	-113	101.3	172.2	-82.2	-81.7	0	0	0	113.5
731	S	28	Very low	42.5	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	64%	0.639	S	S	*	*			trans	-54.1	151.1	163.9	59.8	0	0	0	0	112.7	Y733	S731-Y733 PolarHBondContact O-N 3.39Å
732	N	28.3	Very low	41.5	Very low	156 Å²	156	128.2 Å²	128.2	83%	0.834	63%	0.63	S	S	*	*	S	Bend	trans	-64.6	32.2	-165.3	-77.4	-41.6	0	0	0	118.1
733	Y	27.3	Very low	40.6	Very low	220 Å²	220	128.2 Å²	128.2	86%	0.863	63%	0.631	S	S	*	*	S	Bend	trans	-137.4	60.3	-175.8	-109.1	-90.5	0	0	0	113.2	S731	S731-Y733 PolarHBondContact O-N 3.39Å
734	R	29.4	Very low	39.6	Very low	193 Å²	193	129.7 Å²	129.7	73%	0.728	64%	0.64	S	S	*	*			trans	-171.6	33.3	163.6	-108.6	164.5	-160	-153.3	5.8	116.2	R736	R734-R736 PolarHBondContact O-N 3.25Å
735	R	31.9	Very low	39.3	Very low	242 Å²	242	128.6 Å²	128.6	91%	0.913	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	11.5	-175.9	-105.3	-175.8	-170.7	170.3	3.4	117.6
736	R	36.4	Very low	39.8	Very low	230 Å²	230	125.3 Å²	125.3	87%	0.868	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-12.8	178.6	-79.6	-176	178.9	163.1	0.5	116.2	R734	R734-R736 PolarHBondContact O-N 3.25Å
737	N	36.1	Very low	41.4	Very low	162 Å²	162	117.9 Å²	117.9	87%	0.866	58%	0.584	S	S	*	*	S	Bend	trans	-138	14.5	-173.2	-78.3	-22.1	0	0	0	115.5
738	A	39.7	Very low	43.1	Very low	81 Å²	81	117.7 Å²	117.7	67%	0.669	58%	0.58	S	S	*	*	S	Bend	trans	-86.2	122.9	179.6	0	0	0	0	0	111	R740	A738-R740 PolarHBondContact O-N 2.8Å
739	V	44	Very low	45.5	Very low	114 Å²	114	115.7 Å²	115.7	69%	0.691	56%	0.564	S	S	*	*			trans	1.6	97.8	169.7	-170.9	0	0	0	0	114.8
740	R	46.3	Very low	48.2	Very low	87 Å²	87	108.4 Å²	108.4	33%	0.328	53%	0.525	S	S	.	.			trans	-67.4	130.7	167.2	-66.6	-164	179.9	166.4	-1.2	109	A738 D744 G765	A738-R740 PolarHBondContact O-N 2.8Å; R740-D744 WeakPolarHBondContact CA-OD2 3.39Å; R740-D744 WeakPolarHBondContact CB-OD2 3.39Å; R740-D744 WeakPolarHBondContact CD-OD2 3.42Å; R740-D744 WeakPolarHBondContact CG-OD2 3.01Å; R740-G765 WeakPolarHBondContact CB-O 3.31Å; R740-G765 WeakPolarHBondContact O-CA 3.46Å
741	Y	51.5	Low	50.7	Low	126 Å²	126	99 Å²	99	49%	0.494	49%	0.49	S	S	.	.			trans	-71.2	166.8	177	-70.1	-84.7	0	0	0	110.5	V743 D744	Y741-V743 PolarHBondContact O-N 2.86Å; Y741-V743 VanDerWaalsContact O-N 3.09Å; Y741-D744 PolarHBondContact N-OD1 3.28Å
742	A	50.7	Low	53.5	Low	36 Å²	36	94 Å²	94	30%	0.298	46%	0.455	S	S	.	.	S	Bend	trans	-58.9	-21.9	178.6	0	0	0	0	0	113.1	H757	A742-H757 PolarHBondContact O-N 2.81Å
743	V	54.6	Low	56.4	Low	9 Å²	9	86.6 Å²	86.6	6%	0.055	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	106.9	168.4	-170.7	0	0	0	0	105.9	E708 A711 Y741 W754 K756	E708-V743 HydrophobicContact CG-CB 4.13Å; E708-V743 HydrophobicContact CG-CG2 4.5Å; A711-V743 HydrophobicContact CB-CG2 3.38Å; Y741-V743 PolarHBondContact O-N 2.86Å; Y741-V743 VanDerWaalsContact O-N 3.09Å; V743-W754 HydrophobicContact CG1-CB 4.17Å; V743-K756 HydrophobicContact CG2-CB 4.43Å; V743-K756 HydrophobicContact CG2-CG 4.31Å
744	D	56.4	Low	59.2	Low	41 Å²	41	76.4 Å²	76.4	22%	0.219	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	143.1	173	-101	1.8	0	0	0	109.8	R740 Y741 V746	R740-D744 WeakPolarHBondContact CA-OD2 3.39Å; R740-D744 WeakPolarHBondContact CB-OD2 3.39Å; R740-D744 WeakPolarHBondContact CD-OD2 3.42Å; R740-D744 WeakPolarHBondContact CG-OD2 3.01Å; Y741-D744 PolarHBondContact N-OD1 3.28Å; D744-V746 PolarHBondContact O-N 3.37Å
745	T	59.4	Low	61.9	Low	72 Å²	72	67.2 Å²	67.2	44%	0.442	34%	0.341	S	S	.	.	S	Bend	trans	-60.9	114.3	-170.3	47.3	0	0	0	0	111.8	E704 W754	E704-T745 HydrophobicContact CB-CG2 4.11Å; E704-T745 HydrophobicContact CG-CG2 4.29Å; T745-W754 HydrophobicContact CG2-CZ3 4.31Å
746	V	63.6	Low	64.4	Low	38 Å²	38	57.3 Å²	57.3	23%	0.23	31%	0.305	C	S	.	.			trans	75.6	119	165.8	-150.7	0	0	0	0	115.2	R528 D744 P748 P751	R528-V746 VanDerWaalsContact NE-CG2 3.27Å; R528-V746 VanDerWaalsContact NH1-CG1 3.34Å; D744-V746 PolarHBondContact O-N 3.37Å; V746-P748 WeakPolarHBondContact O-CD 3.4Å; V746-P751 HydrophobicContact CG1-CB 4Å
747	N	70.8	Confident	66.6	Low	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.			trans	-63	122.8	160.3	177.9	-46.2	0	0	0	108	L524 V749 I750 F755	L524-N747 HydrophobicContact CD2-CB 4.28Å; N747-V749 PolarHBondContact O-N 2.93Å; N747-V749 VanDerWaalsContact O-N 3.11Å; N747-V749 WeakPolarHBondContact OD1-CA 3.45Å; N747-V749 WeakPolarHBondContact OD1-CB 3.01Å; N747-V749 PolarHBondContact OD1-N 2.82Å; N747-I750 HydrophobicContact CB-CB 4.14Å; N747-I750 CarbonylContact O-C 3.58Å; N747-I750 PolarHBondContact O-N 3.45Å; N747-I750 VanDerWaalsContact O-N 3.14Å; N747-I750 PolarHBondContact OD1-N 3.25Å; N747-F755 HydrophobicContact CB-CB 4.49Å
748	P	68.2	Low	69	Low	92 Å²	92	39.3 Å²	39.3	60%	0.597	23%	0.225	S	C	*	.	S	Bend	trans	-62.8	-22.7	-174.3	24.4	-33.3	0	0	0	113.3	V746	V746-P748 WeakPolarHBondContact O-CD 3.4Å
749	V	76.7	Confident	70.8	Confident	56 Å²	56	37.9 Å²	37.9	34%	0.339	21%	0.209	S	C	.	.	S	Bend	trans	-95	-30.6	179.1	-176.3	0	0	0	0	111.5	V580 N747 P751	V580-V749 HydrophobicContact CB-CG1 3.94Å; V580-V749 HydrophobicContact CG1-CG1 4.42Å; N747-V749 PolarHBondContact O-N 2.93Å; N747-V749 VanDerWaalsContact O-N 3.11Å; N747-V749 WeakPolarHBondContact OD1-CA 3.45Å; N747-V749 WeakPolarHBondContact OD1-CB 3.01Å; N747-V749 PolarHBondContact OD1-N 2.82Å; V749-P751 WeakPolarHBondContact O-CD 3.32Å
750	I	83.5	Confident	72.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.			trans	-126.2	80.4	-173	-52.6	163	0	0	0	109.7	L524 V580 F593 N747 T752 C753	L524-I750 HydrophobicContact CD1-CD1 3.69Å; V580-I750 HydrophobicContact CG1-CG1 4.1Å; F593-I750 HydrophobicContact CD1-CD1 4.43Å; F593-I750 HydrophobicContact CD1-CG1 4.47Å; F593-I750 HydrophobicContact CD1-CG2 3.66Å; F593-I750 HydrophobicContact CD2-CD1 3.6Å; F593-I750 HydrophobicContact CD2-CG1 4.3Å; F593-I750 HydrophobicContact CE1-CD1 4.37Å; F593-I750 HydrophobicContact CE1-CG2 3.49Å; F593-I750 VanDerWaalsContact CE1-CG2 3.49Å; F593-I750 HydrophobicContact CE2-CD1 3.54Å; F593-I750 HydrophobicContact CG-CD1 4.07Å; F593-I750 HydrophobicContact CG-CG1 4.28Å; F593-I750 HydrophobicContact CG-CG2 4.29Å; F593-I750 HydrophobicContact CZ-CD1 3.95Å; F593-I750 HydrophobicContact CZ-CG2 4Å; N747-I750 HydrophobicContact CB-CB 4.14Å; N747-I750 CarbonylContact O-C 3.58Å; N747-I750 PolarHBondContact O-N 3.45Å; N747-I750 VanDerWaalsContact O-N 3.14Å; N747-I750 PolarHBondContact OD1-N 3.25Å; I750-T752 PolarHBondContact O-N 2.91Å; I750-T752 VanDerWaalsContact O-N 3.09Å; I750-C753 HydrophobicContact CG2-CB 4.05Å; I750-C753 PolarHBondContact O-N 2.83Å
751	P	81.7	Confident	73.4	Confident	19 Å²	19	38.3 Å²	38.3	12%	0.123	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.9	-173.6	27.3	-34.5	0	0	0	114.2	R528 P530 Y538 V746 V749 C753	R528-P751 VanDerWaalsContact CD-O 3.23Å; R528-P751 WeakPolarHBondContact CD-O 3.25Å; R528-P751 WeakPolarHBondContact CG-O 3.44Å; R528-P751 PolarHBondContact NH1-O 3.16Å; P530-P751 HydrophobicContact CB-CB 4.38Å; P530-P751 HydrophobicContact CB-CG 4.46Å; Y538-P751 HydrophobicContact CD1-CG 4.46Å; Y538-P751 HydrophobicContact CE1-CG 3.66Å; Y538-P751 HydrophobicContact CE2-CG 4.05Å; Y538-P751 VanDerWaalsContact CZ-CG 3.44Å; Y538-P751 WeakPolarHBondContact OH-CG 3.37Å; V746-P751 HydrophobicContact CG1-CB 4Å; V749-P751 WeakPolarHBondContact O-CD 3.32Å; P751-C753 VanDerWaalsContact C-N 3.31Å
752	T	87.1	Confident	74.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-4	176.4	55.4	0	0	0	0	113.9	G527 R528 P530 Y538 I574 I578 Y595 I750	G527-T752 PolarHBondContact N-O 3.43Å; R528-T752 WeakPolarHBondContact CB-O 3.4Å; R528-T752 PolarHBondContact N-O 3.05Å; R528-T752 WeakPolarHBondContact O-CA 3.49Å; P530-T752 HydrophobicContact CB-CG2 4.03Å; P530-T752 HydrophobicContact CG-CG2 3.79Å; Y538-T752 HydrophobicContact CD1-CG2 3.97Å; Y538-T752 HydrophobicContact CG-CG2 4.16Å; I574-T752 HydrophobicContact CD1-CG2 4.38Å; I574-T752 HydrophobicContact CG2-CG2 4.19Å; I578-T752 HydrophobicContact CD1-CG2 3.6Å; I578-T752 WeakPolarHBondContact CD1-OG1 3.43Å; Y595-T752 WeakPolarHBondContact CD2-OG1 3.2Å; Y595-T752 WeakPolarHBondContact CE2-OG1 2.93Å; I750-T752 PolarHBondContact O-N 2.91Å; I750-T752 VanDerWaalsContact O-N 3.09Å
753	C	88.6	Confident	74.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.2	178.8	-66.4	0	0	0	0	111.8	L524 I525 I750 P751	L524-C753 HydrophobicContact CB-CB 4.14Å; L524-C753 HydrophobicContact CD2-CB 4.24Å; I525-C753 CarbonylContact O-C 3.34Å; I525-C753 WeakPolarHBondContact O-CA 3.25Å; I750-C753 HydrophobicContact CG2-CB 4.05Å; I750-C753 PolarHBondContact O-N 2.83Å; P751-C753 VanDerWaalsContact C-N 3.31Å
754	W	86.4	Confident	74.9	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	150.1	162.8	-51.7	98.7	0	0	0	110	L524 I525 R528 F703 E704 G707 V743 T745	L524-W754 WeakPolarHBondContact CA-O 3.37Å; I525-W754 HydrophobicContact CB-CB 4.2Å; I525-W754 PolarHBondContact N-O 3.41Å; I525-W754 PolarHBondContact O-N 3.1Å; R528-W754 HydrophobicContact CB-CD2 4.1Å; R528-W754 HydrophobicContact CB-CG 4.37Å; R528-W754 HydrophobicContact CB-CZ2 3.92Å; R528-W754 HydrophobicContact CG-CD2 4.24Å; R528-W754 HydrophobicContact CG-CH2 3.81Å; R528-W754 HydrophobicContact CG-CZ2 3.52Å; R528-W754 HydrophobicContact CG-CZ3 4.33Å; F703-W754 WeakPolarHBondContact O-CZ2 3.29Å; E704-W754 HydrophobicContact CB-CH2 4.5Å; G707-W754 VanDerWaalsContact CA-CD1 3.42Å; G707-W754 VanDerWaalsContact CA-CG 3.43Å; V743-W754 HydrophobicContact CG1-CB 4.17Å; T745-W754 HydrophobicContact CG2-CZ3 4.31Å
755	F	86.9	Confident	75.5	Confident	1 Å²	1	38 Å²	38	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.6	175.2	-172.2	-86	0	0	0	110.1	D516 L519 K520 G522 L524 N747 H757	D516-F755 HydrophobicContact CB-CE2 4.1Å; L519-F755 HydrophobicContact CB-CD1 3.96Å; L519-F755 HydrophobicContact CB-CE1 3.56Å; L519-F755 HydrophobicContact CB-CE2 4.24Å; L519-F755 HydrophobicContact CB-CG 4.46Å; L519-F755 HydrophobicContact CB-CZ 3.7Å; L519-F755 HydrophobicContact CD1-CB 3.85Å; L519-F755 HydrophobicContact CD1-CD1 3.61Å; L519-F755 HydrophobicContact CD1-CD2 4.03Å; L519-F755 HydrophobicContact CD1-CE1 4.12Å; L519-F755 HydrophobicContact CD1-CE2 4.49Å; L519-F755 HydrophobicContact CD1-CG 3.56Å; L519-F755 HydrophobicContact CG-CD1 4.38Å; L519-F755 HydrophobicContact CG-CE1 4.46Å; K520-F755 WeakPolarHBondContact O-CZ 3.35Å; G522-F755 VanDerWaalsContact CA-CZ 3.46Å; L524-F755 HydrophobicContact CD2-CD2 3.83Å; N747-F755 HydrophobicContact CB-CB 4.49Å; F755-H757 AromaticContact CD1-CD2 3.98Å; F755-H757 AromaticContact CD1-NE2 3.91Å; F755-H757 AromaticContact CE1-CE1 3.71Å; F755-H757 AromaticContact CE1-CG 3.96Å; F755-H757 AromaticContact CE1-ND1 3.75Å; F755-H757 AromaticContact CE1-NE2 3.91Å
756	K	84.3	Confident	76.3	Confident	34 Å²	34	37.6 Å²	37.6	15%	0.148	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.5	175.1	-179.9	-179.4	-174.4	176.4	0	109.5	G522 V523 I525 A711 V743	G522-K756 CarbonylContact C-O 3.6Å; G522-K756 WeakPolarHBondContact CA-O 3.36Å; V523-K756 HydrophobicContact CG2-CB 3.74Å; V523-K756 HydrophobicContact CG2-CD 4.09Å; V523-K756 HydrophobicContact CG2-CG 4.22Å; V523-K756 PolarHBondContact N-O 3.33Å; V523-K756 PolarHBondContact O-N 3.43Å; I525-K756 HydrophobicContact CD1-CB 3.95Å; I525-K756 HydrophobicContact CD1-CD 4.16Å; I525-K756 HydrophobicContact CG1-CB 4.49Å; A711-K756 HydrophobicContact CB-CD 3.89Å; A711-K756 PolarHBondContact O-NZ 2.95Å; V743-K756 HydrophobicContact CG2-CB 4.43Å; V743-K756 HydrophobicContact CG2-CG 4.31Å
757	H	82.9	Confident	77.2	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.8	177.3	-78.9	-85.6	0	0	0	111.1	L519 A742 F755	L519-H757 PolarHBondContact O-CE1 2.85Å; A742-H757 PolarHBondContact O-N 2.81Å; F755-H757 AromaticContact CD1-CD2 3.98Å; F755-H757 AromaticContact CD1-NE2 3.91Å; F755-H757 AromaticContact CE1-CE1 3.71Å; F755-H757 AromaticContact CE1-CG 3.96Å; F755-H757 AromaticContact CE1-ND1 3.75Å; F755-H757 AromaticContact CE1-NE2 3.91Å
758	L	85.2	Confident	78	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.4	152.3	164.7	-66.6	-176.6	0	0	0	110.3	W508 L513 W521 H760 V768 P771 F776	W508-L758 HydrophobicContact CB-CD2 3.83Å; W508-L758 HydrophobicContact CD2-CD2 3.51Å; W508-L758 HydrophobicContact CE3-CD2 3.86Å; W508-L758 HydrophobicContact CG-CD2 3.48Å; W508-L758 VanDerWaalsContact CG-CD2 3.48Å; L513-L758 HydrophobicContact CD2-CD1 3.93Å; L513-L758 HydrophobicContact CD2-CD2 3.82Å; L513-L758 HydrophobicContact CD2-CG 4.27Å; W521-L758 HydrophobicContact CB-CD1 3.92Å; L758-H760 PolarHBondContact O-N 3.37Å; L758-V768 HydrophobicContact CB-CB 4.23Å; L758-V768 HydrophobicContact CB-CG2 3.82Å; L758-V768 HydrophobicContact CD1-CG1 4.3Å; L758-P771 HydrophobicContact CD1-CB 4.04Å; L758-F776 HydrophobicContact CB-CE1 4.09Å; L758-F776 HydrophobicContact CB-CZ 3.81Å; L758-F776 HydrophobicContact CD1-CE1 4.06Å; L758-F776 HydrophobicContact CD1-CZ 4.09Å
759	P	78.3	Confident	78.8	Confident	50 Å²	50	37 Å²	37	33%	0.325	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-62.7	135.7	177.7	25.1	-33.2	0	0	0	111	W508 F776	W508-P759 HydrophobicContact CH2-CG 3.39Å; W508-P759 HydrophobicContact CZ2-CG 3.59Å; W508-P759 HydrophobicContact CZ3-CG 4.33Å; P759-F776 HydrophobicContact CG-CE1 4.19Å; P759-F776 HydrophobicContact CG-CZ 4.42Å; P759-F776 VanDerWaalsContact O-CZ 3.28Å; P759-F776 WeakPolarHBondContact O-CZ 3.35Å
760	H	77.6	Confident	79.4	Confident	58 Å²	58	35.8 Å²	35.8	27%	0.269	22%	0.224	S	C	.	.			trans	-123.1	134.4	179.4	-173.2	-72.6	0	0	0	109.7	L758 S762 G763 L766 P767 V768	L758-H760 PolarHBondContact O-N 3.37Å; H760-S762 VanDerWaalsContact C-N 3.27Å; H760-S762 PolarHBondContact CE1-OG 3.45Å; H760-S762 PolarHBondContact ND1-N 3.14Å; H760-S762 VanDerWaalsContact ND1-N 3.16Å; H760-S762 PolarHBondContact O-N 3.42Å; H760-G763 WeakPolarHBondContact CB-O 3.12Å; H760-G763 PolarHBondContact O-N 3.44Å; H760-G763 VanDerWaalsContact O-N 3.1Å; H760-L766 HydrophobicContact CB-CB 3.92Å; H760-P767 PolarHBondContact CD2-O 2.74Å; H760-V768 HydrophobicContact CB-CG2 4.14Å
761	E	67.3	Low	79.6	Confident	152 Å²	152	35.8 Å²	35.8	71%	0.71	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.9	-172.1	-65	-176	160.3	0	0	112.9	G763 S775	E761-G763 VanDerWaalsContact C-N 3.31Å; E761-G763 PolarHBondContact O-N 2.91Å; E761-S775 VanDerWaalsContact CD-CB 3.49Å; E761-S775 WeakPolarHBondContact OE1-CA 3.38Å; E761-S775 WeakPolarHBondContact OE1-CB 3.29Å
762	S	65.1	Low	79.9	Confident	94 Å²	94	34.9 Å²	34.9	66%	0.657	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.9	-180	-42.6	0	0	0	0	115.2	H760	H760-S762 VanDerWaalsContact C-N 3.27Å; H760-S762 PolarHBondContact CE1-OG 3.45Å; H760-S762 PolarHBondContact ND1-N 3.14Å; H760-S762 VanDerWaalsContact ND1-N 3.16Å; H760-S762 PolarHBondContact O-N 3.42Å
763	G	60	Low	79.7	Confident	31 Å²	31	36.9 Å²	36.9	32%	0.32	23%	0.232	S	C	.	.			trans	141.4	160.2	178.7	0	0	0	0	0	114.6	H760 E761	H760-G763 WeakPolarHBondContact CB-O 3.12Å; H760-G763 PolarHBondContact O-N 3.44Å; H760-G763 VanDerWaalsContact O-N 3.1Å; E761-G763 VanDerWaalsContact C-N 3.31Å; E761-G763 PolarHBondContact O-N 2.91Å
764	T	63.9	Low	79.1	Confident	79 Å²	79	44.2 Å²	44.2	49%	0.485	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	145.5	179.7	50.6	0	0	0	0	112.4	L766	T764-L766 PolarHBondContact O-N 3.19Å
765	G	68.2	Low	78.8	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	-1.5	177.4	0	0	0	0	0	115.5	R740	R740-G765 WeakPolarHBondContact CB-O 3.31Å; R740-G765 WeakPolarHBondContact O-CA 3.46Å
766	L	75.6	Confident	78.5	Confident	62 Å²	62	45.7 Å²	45.7	33%	0.325	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-73.7	144.5	174.8	-69	177	0	0	0	111.6	H760 T764 V768	H760-L766 HydrophobicContact CB-CB 3.92Å; T764-L766 PolarHBondContact O-N 3.19Å; L766-V768 PolarHBondContact O-N 3.31Å
767	P	83.2	Confident	78.1	Confident	53 Å²	53	45 Å²	45	34%	0.344	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-68.2	128.9	-176.3	25.6	-33	0	0	0	112	K520 H760	K520-P767 HydrophobicContact CB-CB 3.97Å; K520-P767 HydrophobicContact CG-CB 3.48Å; K520-P767 VanDerWaalsContact CG-CB 3.48Å; H760-P767 PolarHBondContact CD2-O 2.74Å
768	V	86.4	Confident	77.6	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.03	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-89.5	120.4	173.8	170.9	0	0	0	0	110	K520 W521 L758 H760 L766 F776	K520-V768 WeakPolarHBondContact CB-O 3.35Å; W521-V768 HydrophobicContact CB-CB 4.41Å; W521-V768 HydrophobicContact CB-CG1 4.42Å; W521-V768 PolarHBondContact N-O 3.38Å; L758-V768 HydrophobicContact CB-CB 4.23Å; L758-V768 HydrophobicContact CB-CG2 3.82Å; L758-V768 HydrophobicContact CD1-CG1 4.3Å; H760-V768 HydrophobicContact CB-CG2 4.14Å; L766-V768 PolarHBondContact O-N 3.31Å; V768-F776 HydrophobicContact CG1-CE2 3.61Å; V768-F776 HydrophobicContact CG1-CZ 3.9Å; V768-F776 HydrophobicContact CG2-CE2 4.24Å; V768-F776 HydrophobicContact CG2-CZ 4.06Å
769	G	86.2	Confident	77.3	Confident	61 Å²	61	47.4 Å²	47.4	63%	0.629	28%	0.284	S	S	*	.	S	Bend	trans	-71.8	-41.7	-179.7	0	0	0	0	0	114	W521	W521-G769 VanDerWaalsContact CD1-O 3.24Å; W521-G769 PolarHBondContact NE1-O 2.78Å
770	S	88.7	Confident	77.3	Confident	30 Å²	30	45.7 Å²	45.7	21%	0.21	27%	0.271	C	S	.	.			trans	-147.4	128.5	176.8	177.8	0	0	0	0	111.7	L772 S773	S770-L772 PolarHBondContact O-N 2.94Å; S770-L772 PolarHBondContact OG-N 3.01Å; S770-S773 WeakPolarHBondContact O-CB 3.41Å; S770-S773 PolarHBondContact O-N 2.8Å; S770-S773 PolarHBondContact O-OG 2.88Å
771	P	88.5	Confident	76.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.5	174.7	33.4	-36.7	0	0	0	112.3	P501 L506 L513 W521 L758 F776 L785	P501-P771 HydrophobicContact CB-CG 3.88Å; P501-P771 HydrophobicContact CG-CG 3.65Å; L506-P771 HydrophobicContact CD1-CG 4.39Å; L513-P771 HydrophobicContact CD1-CB 3.71Å; L513-P771 HydrophobicContact CD1-CG 3.74Å; W521-P771 HydrophobicContact CD2-CG 4.19Å; W521-P771 HydrophobicContact CG-CG 4.36Å; L758-P771 HydrophobicContact CD1-CB 4.04Å; P771-F776 WeakPolarHBondContact O-CB 3.28Å; P771-F776 WeakPolarHBondContact O-CG 3.47Å; P771-L785 HydrophobicContact CB-CD2 4.19Å; P771-L785 WeakPolarHBondContact O-CD2 3.32Å
772	L	87.2	Confident	76.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16.5	175.4	-64.4	177.7	0	0	0	112.1	A495 A500 P501 L504 L506 S770 L816 R819	A495-L772 HydrophobicContact CB-CD1 4.48Å; A500-L772 HydrophobicContact CB-CD1 4.41Å; P501-L772 HydrophobicContact CG-CD1 4.18Å; P501-L772 HydrophobicContact CG-CG 4.39Å; L504-L772 HydrophobicContact CD1-CD1 3.94Å; L504-L772 HydrophobicContact CD1-CD2 4.35Å; L506-L772 HydrophobicContact CD1-CD2 3.87Å; L506-L772 HydrophobicContact CD1-CG 4.29Å; S770-L772 PolarHBondContact O-N 2.94Å; S770-L772 PolarHBondContact OG-N 3.01Å; L772-L816 HydrophobicContact CD2-CD2 3.54Å; L772-R819 VanDerWaalsContact O-CZ 3.28Å; L772-R819 PolarHBondContact O-NE 3.44Å; L772-R819 PolarHBondContact O-NH2 3.41Å
773	S	83.5	Confident	77.2	Confident	42 Å²	42	41.5 Å²	41.5	29%	0.294	26%	0.259	S	S	.	.	S	Bend	trans	-77.7	167.9	175.8	60.7	0	0	0	0	112	S770 S775 F776	S770-S773 WeakPolarHBondContact O-CB 3.41Å; S770-S773 PolarHBondContact O-N 2.8Å; S770-S773 PolarHBondContact O-OG 2.88Å; S773-S775 PolarHBondContact O-N 3.09Å; S773-S775 PolarHBondContact OG-OG 2.93Å; S773-F776 PolarHBondContact O-N 3.46Å; S773-F776 VanDerWaalsContact O-N 3.12Å
774	R	76.7	Confident	78	Confident	155 Å²	155	41.7 Å²	41.7	59%	0.585	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-57.5	-35.3	-175.3	-169	178.9	-169.8	160.3	9.8	113.2	F776 Q777 T823 S827	R774-F776 PolarHBondContact O-N 3.13Å; R774-Q777 VanDerWaalsContact O-CG 3.31Å; R774-Q777 WeakPolarHBondContact O-CG 3.5Å; R774-Q777 PolarHBondContact O-N 3.48Å; R774-T823 HydrophobicContact CG-CG2 4.08Å; R774-S827 PolarHBondContact NH2-OG 3.1Å; R774-S827 VanDerWaalsContact NH2-OG 3.15Å
775	S	79.2	Confident	79	Confident	33 Å²	33	38 Å²	38	23%	0.231	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62	-29.8	-179.8	57.1	0	0	0	0	113	E761 S773	E761-S775 VanDerWaalsContact CD-CB 3.49Å; E761-S775 WeakPolarHBondContact OE1-CA 3.38Å; E761-S775 WeakPolarHBondContact OE1-CB 3.29Å; S773-S775 PolarHBondContact O-N 3.09Å; S773-S775 PolarHBondContact OG-OG 2.93Å
776	F	81.4	Confident	79.8	Confident	3 Å²	3	39 Å²	39	1%	0.013	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-85.5	-7	-178.4	-75.7	-90.6	0	0	0	114.7	W508 L758 P759 V768 P771 S773 R774 S778 H779 I780 L785	W508-F776 HydrophobicContact CE3-CE1 4.35Å; W508-F776 HydrophobicContact CH2-CE1 4.25Å; W508-F776 AromaticContact CZ3-CD1 3.89Å; W508-F776 HydrophobicContact CZ3-CD1 3.89Å; W508-F776 AromaticContact CZ3-CE1 3.74Å; W508-F776 HydrophobicContact CZ3-CE1 3.74Å; L758-F776 HydrophobicContact CB-CE1 4.09Å; L758-F776 HydrophobicContact CB-CZ 3.81Å; L758-F776 HydrophobicContact CD1-CE1 4.06Å; L758-F776 HydrophobicContact CD1-CZ 4.09Å; P759-F776 HydrophobicContact CG-CE1 4.19Å; P759-F776 HydrophobicContact CG-CZ 4.42Å; P759-F776 VanDerWaalsContact O-CZ 3.28Å; P759-F776 WeakPolarHBondContact O-CZ 3.35Å; V768-F776 HydrophobicContact CG1-CE2 3.61Å; V768-F776 HydrophobicContact CG1-CZ 3.9Å; V768-F776 HydrophobicContact CG2-CE2 4.24Å; V768-F776 HydrophobicContact CG2-CZ 4.06Å; P771-F776 WeakPolarHBondContact O-CB 3.28Å; P771-F776 WeakPolarHBondContact O-CG 3.47Å; S773-F776 PolarHBondContact O-N 3.46Å; S773-F776 VanDerWaalsContact O-N 3.12Å; R774-F776 PolarHBondContact O-N 3.13Å; F776-S778 VanDerWaalsContact C-N 3.3Å; F776-S778 PolarHBondContact O-N 2.92Å; F776-H779 HydrophobicContact CD1-CB 4.35Å; F776-H779 CarbonylContact O-C 3.45Å; F776-H779 WeakPolarHBondContact O-CA 3.32Å; F776-H779 VanDerWaalsContact O-CB 3.29Å; F776-H779 WeakPolarHBondContact O-CB 3.35Å; F776-H779 PolarHBondContact O-N 2.74Å; F776-I780 PolarHBondContact O-N 3.04Å; F776-L785 HydrophobicContact CB-CD2 4.14Å; F776-L785 HydrophobicContact CD1-CD2 4.2Å; F776-L785 HydrophobicContact CG-CD2 4.47Å
777	Q	76	Confident	80.5	Confident	20 Å²	20	36 Å²	36	9%	0.093	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-39.7	-177.9	-60.8	-62.4	-3.6	0	0	112.4	R774 H779 I780 A781 T823	R774-Q777 VanDerWaalsContact O-CG 3.31Å; R774-Q777 WeakPolarHBondContact O-CG 3.5Å; R774-Q777 PolarHBondContact O-N 3.48Å; Q777-H779 PolarHBondContact O-N 2.74Å; Q777-I780 PolarHBondContact O-N 3.04Å; Q777-A781 PolarHBondContact O-N 2.74Å; Q777-T823 PolarHBondContact NE2-OG1 2.94Å
778	S	71.9	Confident	80.6	Confident	46 Å²	46	34.7 Å²	34.7	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-27.7	173.5	66.2	0	0	0	0	112.8	F776 S782 K991	F776-S778 VanDerWaalsContact C-N 3.3Å; F776-S778 PolarHBondContact O-N 2.92Å; S778-S782 WeakPolarHBondContact O-CB 3.43Å; S778-S782 PolarHBondContact O-N 3.47Å; S778-S782 VanDerWaalsContact O-N 3.08Å; S778-S782 PolarHBondContact O-OG 3.46Å; S778-K991 VanDerWaalsContact OG-CE 3.31Å; S778-K991 WeakPolarHBondContact OG-CE 3.37Å; S778-K991 PolarHBondContact OG-NZ 3.02Å
779	H	77.8	Confident	80	Confident	19 Å²	19	39.6 Å²	39.6	9%	0.088	24%	0.235	C	C	.	.	H	α-helix	trans	-75.6	-38.2	176.1	-66	-75.1	0	0	0	111.7	W508 F776 Q777 S782 H783 R784 L785	W508-H779 HydrophobicContact CH2-CB 4.26Å; W508-H779 AromaticContact CH2-CE1 3.8Å; W508-H779 AromaticContact CH2-CG 3.74Å; W508-H779 AromaticContact CH2-ND1 3.4Å; W508-H779 WeakPolarHBondContact CH2-ND1 3.31Å; W508-H779 HydrophobicContact CZ3-CB 3.83Å; W508-H779 AromaticContact CZ3-CG 3.79Å; W508-H779 AromaticContact CZ3-ND1 3.88Å; F776-H779 HydrophobicContact CD1-CB 4.35Å; F776-H779 CarbonylContact O-C 3.45Å; F776-H779 WeakPolarHBondContact O-CA 3.32Å; F776-H779 VanDerWaalsContact O-CB 3.29Å; F776-H779 WeakPolarHBondContact O-CB 3.35Å; F776-H779 PolarHBondContact O-N 2.74Å; Q777-H779 PolarHBondContact O-N 2.74Å; H779-S782 WeakPolarHBondContact CA-OG 3.34Å; H779-S782 CarbonylContact O-C 3.58Å; H779-S782 PolarHBondContact O-N 3.34Å; H779-S782 PolarHBondContact O-OG 3.05Å; H779-H783 PolarHBondContact O-N 2.77Å; H779-H783 VanDerWaalsContact O-N 3.17Å; H779-R784 HydrophobicContact CB-CB 4.23Å; H779-R784 VanDerWaalsContact CE1-CZ 3.4Å; H779-R784 PolarHBondContact ND1-NE 3.08Å; H779-R784 PolarHBondContact ND1-NH2 3.32Å; H779-R784 PolarHBondContact O-N 3.11Å; H779-L785 HydrophobicContact CB-CB 4.32Å; H779-L785 PolarHBondContact O-N 3.27Å
780	I	78.8	Confident	79	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-50.1	172.1	-64.2	166.4	0	0	0	110.3	F776 Q777 S782 H783 L785 L816 V820	F776-I780 PolarHBondContact O-N 3.04Å; Q777-I780 PolarHBondContact O-N 3.04Å; I780-S782 VanDerWaalsContact C-N 3.25Å; I780-S782 PolarHBondContact O-N 3.1Å; I780-H783 PolarHBondContact O-N 3.35Å; I780-L785 WeakPolarHBondContact CA-O 3.07Å; I780-L785 HydrophobicContact CD1-CD2 4.25Å; I780-L785 HydrophobicContact CG1-CB 4.13Å; I780-L785 HydrophobicContact CG1-CD2 3.86Å; I780-L785 HydrophobicContact CG1-CG 4.2Å; I780-L816 HydrophobicContact CD1-CD2 4.04Å; I780-L816 HydrophobicContact CG2-CB 4Å; I780-V820 HydrophobicContact CB-CG2 4.32Å; I780-V820 HydrophobicContact CG2-CG2 3.89Å
781	A	68.2	Low	77.6	Confident	69 Å²	69	41.1 Å²	41.1	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-61.8	-32.3	177.8	0	0	0	0	0	113	Q777 H783	Q777-A781 PolarHBondContact O-N 2.74Å; A781-H783 VanDerWaalsContact C-N 3.3Å
782	S	66.9	Low	75.7	Confident	52 Å²	52	44.3 Å²	44.3	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	7	174.2	67.5	0	0	0	0	114.4	S778 H779 I780 R784	S778-S782 WeakPolarHBondContact O-CB 3.43Å; S778-S782 PolarHBondContact O-N 3.47Å; S778-S782 VanDerWaalsContact O-N 3.08Å; S778-S782 PolarHBondContact O-OG 3.46Å; H779-S782 WeakPolarHBondContact CA-OG 3.34Å; H779-S782 CarbonylContact O-C 3.58Å; H779-S782 PolarHBondContact O-N 3.34Å; H779-S782 PolarHBondContact O-OG 3.05Å; I780-S782 VanDerWaalsContact C-N 3.25Å; I780-S782 PolarHBondContact O-N 3.1Å; S782-R784 PolarHBondContact O-N 3.11Å; S782-R784 VanDerWaalsContact O-N 3.11Å; S782-R784 PolarHBondContact OG-NE 2.87Å; S782-R784 PolarHBondContact OG-NH2 3.01Å
783	H	72.5	Confident	73.6	Confident	95 Å²	95	50.5 Å²	50.5	44%	0.44	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	24.1	-175.7	-57.6	-78.1	0	0	0	115.4	H779 I780 A781 H786 F790	H779-H783 PolarHBondContact O-N 2.77Å; H779-H783 VanDerWaalsContact O-N 3.17Å; I780-H783 PolarHBondContact O-N 3.35Å; A781-H783 VanDerWaalsContact C-N 3.3Å; H783-H786 PolarHBondContact O-CD2 3.07Å; H783-H786 VanDerWaalsContact O-CD2 3.23Å; H783-F790 HydrophobicContact CB-CE1 4.3Å; H783-F790 HydrophobicContact CB-CZ 4.39Å; H783-F790 AromaticContact CE1-CE2 3.85Å; H783-F790 AromaticContact CE1-CZ 3.93Å; H783-F790 AromaticContact CG-CZ 3.92Å; H783-F790 AromaticContact ND1-CE2 3.67Å; H783-F790 AromaticContact ND1-CZ 3.54Å
784	R	76.3	Confident	71.8	Confident	35 Å²	35	54.3 Å²	54.3	13%	0.132	30%	0.295	C	S	.	.	S	Bend	trans	-79.2	-32.1	170.9	-77.5	-177.4	-72.6	-159.1	-13.1	112.3	W508 Q509 H779 S782 K991	W508-R784 CarbonylContact C-O 3.05Å; W508-R784 WeakPolarHBondContact CA-O 3.35Å; W508-R784 HydrophobicContact CH2-CB 4.48Å; W508-R784 HydrophobicContact CZ3-CB 4.35Å; Q509-R784 PolarHBondContact N-O 3.16Å; H779-R784 HydrophobicContact CB-CB 4.23Å; H779-R784 VanDerWaalsContact CE1-CZ 3.4Å; H779-R784 PolarHBondContact ND1-NE 3.08Å; H779-R784 PolarHBondContact ND1-NH2 3.32Å; H779-R784 PolarHBondContact O-N 3.11Å; S782-R784 PolarHBondContact O-N 3.11Å; S782-R784 VanDerWaalsContact O-N 3.11Å; S782-R784 PolarHBondContact OG-NE 2.87Å; S782-R784 PolarHBondContact OG-NH2 3.01Å; R784-K991 PolarHBondContact NH1-O 3.41Å; R784-K991 PolarHBondContact NH2-O 2.79Å
785	L	85.1	Confident	70.1	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.2	170.6	-179.2	66.8	0	0	0	107.3	L506 C507 W508 L513 P771 F776 H779 I780	L506-L785 HydrophobicContact CB-CD1 4.12Å; L506-L785 HydrophobicContact CD1-CD1 4.24Å; C507-L785 WeakPolarHBondContact O-CA 3.38Å; W508-L785 HydrophobicContact CE3-CB 4.18Å; W508-L785 HydrophobicContact CE3-CD1 4.46Å; W508-L785 HydrophobicContact CZ3-CB 4.38Å; L513-L785 HydrophobicContact CD1-CD1 3.81Å; L513-L785 HydrophobicContact CG-CD1 4.38Å; P771-L785 HydrophobicContact CB-CD2 4.19Å; P771-L785 WeakPolarHBondContact O-CD2 3.32Å; F776-L785 HydrophobicContact CB-CD2 4.14Å; F776-L785 HydrophobicContact CD1-CD2 4.2Å; F776-L785 HydrophobicContact CG-CD2 4.47Å; H779-L785 HydrophobicContact CB-CB 4.32Å; H779-L785 PolarHBondContact O-N 3.27Å; I780-L785 WeakPolarHBondContact CA-O 3.07Å; I780-L785 HydrophobicContact CD1-CD2 4.25Å; I780-L785 HydrophobicContact CG1-CB 4.13Å; I780-L785 HydrophobicContact CG1-CD2 3.86Å; I780-L785 HydrophobicContact CG1-CG 4.2Å
786	H	86.6	Confident	67.8	Low	24 Å²	24	55.7 Å²	55.7	11%	0.111	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	166.6	-173.3	62.5	89.2	0	0	0	110.8	L506 C507 G510 H783 F790	L506-H786 CarbonylContact C-O 3.58Å; L506-H786 WeakPolarHBondContact CA-O 3.14Å; C507-H786 PolarHBondContact N-O 3.38Å; C507-H786 PolarHBondContact O-N 3.12Å; C507-H786 VanDerWaalsContact O-N 3.11Å; G510-H786 PolarHBondContact N-NE2 3.21Å; H783-H786 PolarHBondContact O-CD2 3.07Å; H783-H786 VanDerWaalsContact O-CD2 3.23Å; H786-F790 HydrophobicContact CB-CB 4.34Å; H786-F790 HydrophobicContact CB-CG 4.44Å
787	S	88.8	Confident	65.4	Low	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	150.4	169.5	-178.5	0	0	0	0	110.9	L504 D789 F790 D813	L504-S787 PolarHBondContact O-OG 3.44Å; S787-D789 PolarHBondContact O-N 3.23Å; S787-D789 PolarHBondContact OG-N 3.1Å; S787-F790 VanDerWaalsContact O-CB 3.3Å; S787-F790 WeakPolarHBondContact O-CB 3.47Å; S787-F790 PolarHBondContact O-N 3.24Å; S787-F790 VanDerWaalsContact O-N 3.16Å; S787-D813 WeakPolarHBondContact CB-OD1 3.26Å; S787-D813 PolarHBondContact N-OD1 2.89Å
788	A	85.3	Confident	63.2	Low	25 Å²	25	62.7 Å²	62.7	21%	0.207	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.2	173.5	0	0	0	0	0	114	W446 K505 Y601 F790	W446-A788 HydrophobicContact CH2-CB 3.4Å; W446-A788 HydrophobicContact CZ2-CB 3.84Å; W446-A788 HydrophobicContact CZ3-CB 4.21Å; K505-A788 HydrophobicContact CB-CB 3.98Å; K505-A788 PolarHBondContact O-N 2.9Å; Y601-A788 HydrophobicContact CE1-CB 4.45Å; A788-F790 PolarHBondContact O-N 3.16Å
789	D	74.4	Confident	61.1	Low	108 Å²	108	66.7 Å²	66.7	58%	0.578	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.8	179.9	-57.3	-29.7	0	0	0	113.1	S787	S787-D789 PolarHBondContact O-N 3.23Å; S787-D789 PolarHBondContact OG-N 3.1Å
790	F	64.7	Low	58.8	Low	45 Å²	45	71.7 Å²	71.7	20%	0.197	42%	0.421	C	S	.	.			trans	-76	122.4	-178.8	179.5	-99.4	0	0	0	112.4	H783 H786 S787 A788 P792	H783-F790 HydrophobicContact CB-CE1 4.3Å; H783-F790 HydrophobicContact CB-CZ 4.39Å; H783-F790 AromaticContact CE1-CE2 3.85Å; H783-F790 AromaticContact CE1-CZ 3.93Å; H783-F790 AromaticContact CG-CZ 3.92Å; H783-F790 AromaticContact ND1-CE2 3.67Å; H783-F790 AromaticContact ND1-CZ 3.54Å; H786-F790 HydrophobicContact CB-CB 4.34Å; H786-F790 HydrophobicContact CB-CG 4.44Å; S787-F790 VanDerWaalsContact O-CB 3.3Å; S787-F790 WeakPolarHBondContact O-CB 3.47Å; S787-F790 PolarHBondContact O-N 3.24Å; S787-F790 VanDerWaalsContact O-N 3.16Å; A788-F790 PolarHBondContact O-N 3.16Å; F790-P792 HydrophobicContact CE1-CB 4.19Å
791	N	59.2	Low	56.5	Low	79 Å²	79	79.1 Å²	79.1	42%	0.422	46%	0.46	S	S	.	.			trans	-103.9	112.5	174.6	-171	-2.7	0	0	0	111.5	N793 D794	N791-N793 PolarHBondContact O-N 3.43Å; N791-N793 PolarHBondContact OD1-N 3.36Å; N791-D794 PolarHBondContact O-N 3.03Å
792	P	49	Very low	54.7	Low	67 Å²	67	82.2 Å²	82.2	44%	0.435	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.4	-177.5	25	-33.1	0	0	0	114.4	F790 D794 T795	F790-P792 HydrophobicContact CE1-CB 4.19Å; P792-D794 PolarHBondContact O-N 3.19Å; P792-T795 PolarHBondContact O-N 2.73Å; P792-T795 PolarHBondContact O-OG1 3.28Å; P792-T795 VanDerWaalsContact O-OG1 3.09Å
793	N	43.8	Very low	53.1	Low	129 Å²	129	84.2 Å²	84.2	69%	0.69	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-72.5	-17.2	177.2	-73	-11.8	0	0	0	113.1	N791 T795	N791-N793 PolarHBondContact O-N 3.43Å; N791-N793 PolarHBondContact OD1-N 3.36Å; N793-T795 PolarHBondContact O-N 3.15Å
794	D	45.3	Very low	51	Low	122 Å²	122	89 Å²	89	65%	0.652	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-75.9	-3.2	175.7	-65.4	-24.8	0	0	0	112.5	N791 P792	N791-D794 PolarHBondContact O-N 3.03Å; P792-D794 PolarHBondContact O-N 3.19Å
795	T	41.1	Very low	48.8	Very low	84 Å²	84	94.1 Å²	94.1	52%	0.515	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-110.1	-0.9	-171.7	-9.8	0	0	0	0	115.1	P792 N793	P792-T795 PolarHBondContact O-N 2.73Å; P792-T795 PolarHBondContact O-OG1 3.28Å; P792-T795 VanDerWaalsContact O-OG1 3.09Å; N793-T795 PolarHBondContact O-N 3.15Å
796	I	31.7	Very low	46.6	Very low	133 Å²	133	103.6 Å²	103.6	68%	0.682	57%	0.568	S	S	*	*			trans	-115	90.9	-170.9	-52.6	177.8	0	0	0	111.7
797	S	29.1	Very low	44.6	Very low	83 Å²	83	105.5 Å²	105.5	58%	0.58	58%	0.582	S	S	*	*			trans	-126.3	85.9	145.2	165.1	0	0	0	0	106.7	N799	S797-N799 VanDerWaalsContact C-N 3.29Å; S797-N799 PolarHBondContact O-N 2.95Å
798	A	30.1	Very low	42.6	Very low	88 Å²	88	112.9 Å²	112.9	73%	0.727	63%	0.627	S	S	*	*			trans	-78.8	80.2	174.1	0	0	0	0	0	109.2
799	N	27.7	Very low	41.1	Very low	129 Å²	129	114.6 Å²	114.6	69%	0.69	63%	0.632	S	S	*	*			trans	-156.8	125.5	158.4	-92.9	-24.4	0	0	0	109.6	S797	S797-N799 VanDerWaalsContact C-N 3.29Å; S797-N799 PolarHBondContact O-N 2.95Å
800	T	30.3	Very low	41	Very low	125 Å²	125	110.8 Å²	110.8	77%	0.767	62%	0.617	S	S	*	*	S	Bend	trans	72.5	140.6	167.2	49.3	0	0	0	0	120.3	T802	T800-T802 VanDerWaalsContact C-N 3.26Å; T800-T802 PolarHBondContact O-N 3.22Å
801	D	29.5	Very low	41.7	Very low	169 Å²	169	110.1 Å²	110.1	90%	0.904	62%	0.616	S	S	*	*	S	Bend	trans	-68.1	20.4	-158.8	-72.7	-56.1	0	0	0	118.1
802	T	30.9	Very low	42.7	Very low	133 Å²	133	106.4 Å²	106.4	82%	0.816	60%	0.596	S	S	*	*			trans	-156.9	92.4	176.6	31.8	0	0	0	0	111.2	T800	T800-T802 VanDerWaalsContact C-N 3.26Å; T800-T802 PolarHBondContact O-N 3.22Å
803	I	33.8	Very low	44.1	Very low	95 Å²	95	104.1 Å²	104.1	49%	0.487	58%	0.58	S	S	.	*			trans	-137.8	100.6	168.2	-57.8	-178.6	0	0	0	110.2	L805	I803-L805 HydrophobicContact CG2-CB 4.1Å; I803-L805 HydrophobicContact CG2-CD1 3.62Å; I803-L805 HydrophobicContact CG2-CG 3.78Å; I803-L805 PolarHBondContact O-N 2.97Å
804	K	29.4	Very low	45.8	Very low	195 Å²	195	103.5 Å²	103.5	85%	0.848	57%	0.568	S	S	*	*			trans	-81.4	89.9	157.6	-79.1	178.3	176.9	171.9	0	108.1
805	L	29.6	Very low	47.7	Very low	142 Å²	142	97.7 Å²	97.7	74%	0.743	54%	0.537	S	S	*	.			trans	-110.5	105.3	158.3	-83.3	162.6	0	0	0	106.6	I803 P807	I803-L805 HydrophobicContact CG2-CB 4.1Å; I803-L805 HydrophobicContact CG2-CD1 3.62Å; I803-L805 HydrophobicContact CG2-CG 3.78Å; I803-L805 PolarHBondContact O-N 2.97Å; L805-P807 WeakPolarHBondContact O-CD 3.31Å
806	K	39	Very low	49.7	Very low	201 Å²	201	93.9 Å²	93.9	87%	0.874	51%	0.514	S	S	*	.			trans	-72.2	118.2	172.1	-81.4	-178.9	175.3	177.8	0	107.3
807	P	43	Very low	51.9	Low	63 Å²	63	90.7 Å²	90.7	41%	0.409	50%	0.496	S	S	.	.			trans	-58	149.8	167.8	10.9	-8.4	0	0	0	108.4	L805 M809	L805-P807 WeakPolarHBondContact O-CD 3.31Å; P807-M809 HydrophobicContact CB-CG 4.17Å; P807-M809 HydrophobicContact CG-CG 3.84Å; P807-M809 WeakPolarHBondContact O-CG 3.33Å; P807-M809 PolarHBondContact O-N 3.43Å
808	V	46.9	Very low	54.5	Low	155 Å²	155	87.1 Å²	87.1	94%	0.939	47%	0.47	S	S	*	.			trans	-68.2	80.9	165.7	-178.7	0	0	0	0	106.5	G810	V808-G810 PolarHBondContact O-N 3.02Å
809	M	55.4	Low	57	Low	62 Å²	62	85 Å²	85	31%	0.305	44%	0.443	S	S	.	.			trans	-68.5	124	-174.1	-67.8	177.1	82.6	0	0	109.3	P807 D813 R814 H817	P807-M809 HydrophobicContact CB-CG 4.17Å; P807-M809 HydrophobicContact CG-CG 3.84Å; P807-M809 WeakPolarHBondContact O-CG 3.33Å; P807-M809 PolarHBondContact O-N 3.43Å; M809-D813 HydrophobicContact CB-CB 4.22Å; M809-D813 HydrophobicContact CE-CB 3.83Å; M809-R814 HydrophobicContact CB-CG 3.76Å; M809-R814 PolarHBondContact O-NE 3.2Å; M809-R814 VanDerWaalsContact O-NE 3.11Å; M809-H817 HydrophobicContact CE-CB 4.19Å
810	G	70.7	Confident	59.4	Low	27 Å²	27	80.1 Å²	80.1	28%	0.278	42%	0.418	S	S	.	.			trans	-54.1	163	170.5	0	0	0	0	0	111.7	V808 A812 D813 R814	V808-G810 PolarHBondContact O-N 3.02Å; G810-A812 PolarHBondContact O-N 3.46Å; G810-D813 PolarHBondContact O-N 2.82Å; G810-R814 PolarHBondContact O-N 2.88Å; G810-R814 VanDerWaalsContact O-N 3.13Å
811	L	79.6	Confident	61.9	Low	31 Å²	31	75.1 Å²	75.1	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-55.9	-38.4	-179.8	-67.2	167.9	0	0	0	111.8	L423 L427 Q430 R814 L815	L423-L811 HydrophobicContact CD2-CB 4.4Å; L423-L811 HydrophobicContact CD2-CD2 3.39Å; L423-L811 HydrophobicContact CD2-CG 4.46Å; L427-L811 HydrophobicContact CD2-CB 4.07Å; L427-L811 HydrophobicContact CD2-CD1 4.46Å; L427-L811 HydrophobicContact CG-CB 4.4Å; Q430-L811 VanDerWaalsContact NE2-CD1 3.29Å; L811-R814 VanDerWaalsContact CD2-NH2 3.32Å; L811-L815 PolarHBondContact O-N 3.27Å; L811-L815 VanDerWaalsContact O-N 3.16Å
812	A	81.8	Confident	64.6	Low	2 Å²	2	67.3 Å²	67.3	2%	0.017	35%	0.345	C	S	.	.	H	α-helix	trans	-67.4	-43.2	179.9	0	0	0	0	0	113.1	L427 L504 G810 L815 L816	L427-A812 HydrophobicContact CD1-CB 4.41Å; L504-A812 HydrophobicContact CB-CB 4.4Å; L504-A812 HydrophobicContact CD2-CB 3.63Å; G810-A812 PolarHBondContact O-N 3.46Å; A812-L815 PolarHBondContact O-N 3.08Å; A812-L816 WeakPolarHBondContact O-CG 3.47Å; A812-L816 PolarHBondContact O-N 3.47Å
813	D	77.1	Confident	67	Low	18 Å²	18	62 Å²	62	10%	0.096	31%	0.312	C	S	.	.	H	α-helix	trans	-69	-37.2	179.3	-63.8	-52.6	0	0	0	111.9	S787 M809 G810 L815 L816 H817	S787-D813 WeakPolarHBondContact CB-OD1 3.26Å; S787-D813 PolarHBondContact N-OD1 2.89Å; M809-D813 HydrophobicContact CB-CB 4.22Å; M809-D813 HydrophobicContact CE-CB 3.83Å; G810-D813 PolarHBondContact O-N 2.82Å; D813-L815 VanDerWaalsContact C-N 3.31Å; D813-L815 PolarHBondContact O-N 3.14Å; D813-L816 PolarHBondContact O-N 2.93Å; D813-H817 WeakPolarHBondContact O-CB 3.15Å; D813-H817 PolarHBondContact O-N 2.93Å
814	R	80	Confident	69.6	Low	117 Å²	117	58 Å²	58	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-43.1	172.3	-77.1	-172.6	-85	161.3	-6.2	111.7	L423 M809 G810 L811 H817 D818	L423-R814 HydrophobicContact CD1-CB 4.44Å; M809-R814 HydrophobicContact CB-CG 3.76Å; M809-R814 PolarHBondContact O-NE 3.2Å; M809-R814 VanDerWaalsContact O-NE 3.11Å; G810-R814 PolarHBondContact O-N 2.88Å; G810-R814 VanDerWaalsContact O-N 3.13Å; L811-R814 VanDerWaalsContact CD2-NH2 3.32Å; R814-H817 PolarHBondContact O-N 3.09Å; R814-D818 WeakPolarHBondContact O-CB 3.44Å; R814-D818 PolarHBondContact O-N 3.14Å
815	L	85.6	Confident	72.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-41.2	178	-174.6	162.5	0	0	0	112.3	Q420 L423 L424 L427 L504 L811 A812 D813 H817 D818 R819	Q420-L815 HydrophobicContact CG-CG 4.39Å; L423-L815 HydrophobicContact CB-CD1 3.99Å; L423-L815 HydrophobicContact CD1-CB 4.2Å; L424-L815 HydrophobicContact CB-CD1 4.36Å; L424-L815 HydrophobicContact CD1-CD1 4.47Å; L424-L815 HydrophobicContact CD2-CD1 3.58Å; L424-L815 HydrophobicContact CG-CD1 3.45Å; L424-L815 VanDerWaalsContact CG-CD1 3.45Å; L427-L815 HydrophobicContact CD1-CD1 4.44Å; L504-L815 HydrophobicContact CD1-CD2 3.89Å; L504-L815 HydrophobicContact CD2-CB 4.14Å; L504-L815 HydrophobicContact CD2-CD1 3.79Å; L504-L815 HydrophobicContact CD2-CD2 3.9Å; L504-L815 HydrophobicContact CD2-CG 4.17Å; L504-L815 HydrophobicContact CG-CD2 4.49Å; L811-L815 PolarHBondContact O-N 3.27Å; L811-L815 VanDerWaalsContact O-N 3.16Å; A812-L815 PolarHBondContact O-N 3.08Å; D813-L815 VanDerWaalsContact C-N 3.31Å; D813-L815 PolarHBondContact O-N 3.14Å; L815-H817 VanDerWaalsContact C-N 3.33Å; L815-H817 PolarHBondContact O-N 3.2Å; L815-D818 PolarHBondContact O-N 3.18Å; L815-R819 WeakPolarHBondContact O-CB 3.41Å; L815-R819 PolarHBondContact O-N 3.46Å
816	L	82.2	Confident	75.3	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-43.9	174.6	-72.2	176.5	0	0	0	111.5	L504 L506 L772 I780 A812 D813 R819 V820	L504-L816 HydrophobicContact CD1-CD2 4.32Å; L506-L816 HydrophobicContact CD2-CD1 3.73Å; L506-L816 HydrophobicContact CD2-CD2 4.04Å; L506-L816 HydrophobicContact CD2-CG 4.3Å; L772-L816 HydrophobicContact CD2-CD2 3.54Å; I780-L816 HydrophobicContact CD1-CD2 4.04Å; I780-L816 HydrophobicContact CG2-CB 4Å; A812-L816 WeakPolarHBondContact O-CG 3.47Å; A812-L816 PolarHBondContact O-N 3.47Å; D813-L816 PolarHBondContact O-N 2.93Å; L816-R819 PolarHBondContact O-N 3.36Å; L816-V820 WeakPolarHBondContact O-CG2 3.47Å; L816-V820 PolarHBondContact O-N 3.45Å; L816-V820 VanDerWaalsContact O-N 3.11Å
817	H	79.1	Confident	77.5	Confident	66 Å²	66	38.8 Å²	38.8	31%	0.306	21%	0.207	S	C	.	.	H	α-helix	trans	-64.5	-44.9	177	-167.6	-114.7	0	0	0	112	M809 D813 R814 L815 R819 V820 H821 N892	M809-H817 HydrophobicContact CE-CB 4.19Å; D813-H817 WeakPolarHBondContact O-CB 3.15Å; D813-H817 PolarHBondContact O-N 2.93Å; R814-H817 PolarHBondContact O-N 3.09Å; L815-H817 VanDerWaalsContact C-N 3.33Å; L815-H817 PolarHBondContact O-N 3.2Å; H817-R819 PolarHBondContact O-N 2.81Å; H817-V820 WeakPolarHBondContact O-CB 3.3Å; H817-V820 PolarHBondContact O-N 2.71Å; H817-V820 VanDerWaalsContact O-N 3.08Å; H817-H821 AromaticContact CD2-NE2 3.8Å; H817-H821 AromaticContact CE1-CD2 3.87Å; H817-H821 AromaticContact CE1-CE1 3.15Å; H817-H821 PolarHBondContact CE1-CE1 2.9Å; H817-H821 AromaticContact CE1-NE2 2.86Å; H817-H821 PolarHBondContact CE1-NE2 2.66Å; H817-H821 AromaticContact CG-NE2 3.89Å; H817-H821 AromaticContact ND1-CE1 3.5Å; H817-H821 AromaticContact ND1-NE2 3.35Å; H817-H821 PolarHBondContact ND1-NE2 3.38Å; H817-H821 AromaticContact NE2-CD2 3.99Å; H817-H821 AromaticContact NE2-CE1 3.89Å; H817-H821 AromaticContact NE2-NE2 3.13Å; H817-H821 PolarHBondContact NE2-NE2 2.82Å; H817-H821 VanDerWaalsContact NE2-NE2 3.13Å; H817-H821 PolarHBondContact O-CD2 3.24Å; H817-H821 VanDerWaalsContact O-CD2 3.25Å; H817-H821 PolarHBondContact O-N 3.3Å; H817-N892 PolarHBondContact NE2-OD1 3.07Å
818	D	83.3	Confident	79.8	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-55.8	-39.6	175.1	-76.1	-6.2	0	0	0	112.2	N416 R419 Q420 R814 L815 H821 A822	N416-D818 PolarHBondContact ND2-O 3.19Å; N416-D818 PolarHBondContact OD1-O 3.1Å; R419-D818 IonicContact CZ-OD1 2.78Å; R419-D818 IonicContact CZ-OD2 2.64Å; R419-D818 IonicContact NE-OD1 3.42Å; R419-D818 IonicContact NE-OD2 2.79Å; R419-D818 PolarHBondContact NE-OD2 3.32Å; R419-D818 IonicContact NH2-OD1 3.87Å; R419-D818 PolarHBondContact NH2-OD1 2.65Å; R419-D818 IonicContact NH2-OD2 2.77Å; R419-D818 PolarHBondContact NH2-OD2 3.48Å; Q420-D818 HydrophobicContact CG-CB 3.74Å; R814-D818 WeakPolarHBondContact O-CB 3.44Å; R814-D818 PolarHBondContact O-N 3.14Å; L815-D818 PolarHBondContact O-N 3.18Å; D818-H821 WeakPolarHBondContact O-CB 3.39Å; D818-H821 PolarHBondContact O-N 3.23Å; D818-A822 PolarHBondContact O-N 3.24Å; D818-A822 VanDerWaalsContact O-N 3.08Å
819	R	82.4	Confident	82	Confident	43 Å²	43	30.4 Å²	30.4	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-69.4	-39.7	178.1	-168.4	179	-179.5	80.2	-4.8	112.4	L772 L815 L816 H817 H821 A822 T823	L772-R819 VanDerWaalsContact O-CZ 3.28Å; L772-R819 PolarHBondContact O-NE 3.44Å; L772-R819 PolarHBondContact O-NH2 3.41Å; L815-R819 WeakPolarHBondContact O-CB 3.41Å; L815-R819 PolarHBondContact O-N 3.46Å; L816-R819 PolarHBondContact O-N 3.36Å; H817-R819 PolarHBondContact O-N 2.81Å; R819-H821 VanDerWaalsContact C-N 3.28Å; R819-H821 PolarHBondContact O-N 3.23Å; R819-A822 PolarHBondContact O-N 3.08Å; R819-T823 PolarHBondContact O-N 3.22Å; R819-T823 PolarHBondContact O-OG1 2.77Å
820	V	78.5	Confident	83.7	Confident	27 Å²	27	35.3 Å²	35.3	16%	0.164	17%	0.172	C	C	.	.	H	α-helix	trans	-58.2	-46.5	172.4	174.7	0	0	0	0	109.2	I780 L816 H817 A822 T823	I780-V820 HydrophobicContact CB-CG2 4.32Å; I780-V820 HydrophobicContact CG2-CG2 3.89Å; L816-V820 WeakPolarHBondContact O-CG2 3.47Å; L816-V820 PolarHBondContact O-N 3.45Å; L816-V820 VanDerWaalsContact O-N 3.11Å; H817-V820 WeakPolarHBondContact O-CB 3.3Å; H817-V820 PolarHBondContact O-N 2.71Å; H817-V820 VanDerWaalsContact O-N 3.08Å; V820-A822 PolarHBondContact O-N 2.91Å; V820-T823 PolarHBondContact O-N 2.91Å
821	H	82.6	Confident	84.7	Confident	19 Å²	19	38.2 Å²	38.2	9%	0.088	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-45.4	-179.2	-73.5	-156.4	0	0	0	113.3	H817 D818 R819 T823 N892 L894 P1185	H817-H821 AromaticContact CD2-NE2 3.8Å; H817-H821 AromaticContact CE1-CD2 3.87Å; H817-H821 AromaticContact CE1-CE1 3.15Å; H817-H821 PolarHBondContact CE1-CE1 2.9Å; H817-H821 AromaticContact CE1-NE2 2.86Å; H817-H821 PolarHBondContact CE1-NE2 2.66Å; H817-H821 AromaticContact CG-NE2 3.89Å; H817-H821 AromaticContact ND1-CE1 3.5Å; H817-H821 AromaticContact ND1-NE2 3.35Å; H817-H821 PolarHBondContact ND1-NE2 3.38Å; H817-H821 AromaticContact NE2-CD2 3.99Å; H817-H821 AromaticContact NE2-CE1 3.89Å; H817-H821 AromaticContact NE2-NE2 3.13Å; H817-H821 PolarHBondContact NE2-NE2 2.82Å; H817-H821 VanDerWaalsContact NE2-NE2 3.13Å; H817-H821 PolarHBondContact O-CD2 3.24Å; H817-H821 VanDerWaalsContact O-CD2 3.25Å; H817-H821 PolarHBondContact O-N 3.3Å; D818-H821 WeakPolarHBondContact O-CB 3.39Å; D818-H821 PolarHBondContact O-N 3.23Å; R819-H821 VanDerWaalsContact C-N 3.28Å; R819-H821 PolarHBondContact O-N 3.23Å; H821-T823 VanDerWaalsContact C-N 3.35Å; H821-T823 PolarHBondContact O-N 3.28Å; H821-N892 VanDerWaalsContact CA-O 3.27Å; H821-N892 WeakPolarHBondContact CA-O 3.42Å; H821-N892 PolarHBondContact CD2-O 3.36Å; H821-N892 WeakPolarHBondContact NE2-CA 3.48Å; H821-N892 PolarHBondContact NE2-OD1 2.92Å; H821-L894 VanDerWaalsContact O-CB 3.23Å; H821-L894 WeakPolarHBondContact O-CB 3.45Å; H821-L894 PolarHBondContact O-N 3.04Å; H821-P1185 HydrophobicContact CB-CG 4.28Å; H821-P1185 VanDerWaalsContact ND1-CG 3.32Å; H821-P1185 WeakPolarHBondContact ND1-CG 3.38Å
822	A	85.7	Confident	85.4	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-75.5	-19.3	-174.6	0	0	0	0	0	114.3	Y413 D818 R819 V820 F824 W825 Q826	Y413-A822 HydrophobicContact CD2-CB 3.89Å; Y413-A822 HydrophobicContact CE2-CB 3.91Å; D818-A822 PolarHBondContact O-N 3.24Å; D818-A822 VanDerWaalsContact O-N 3.08Å; R819-A822 PolarHBondContact O-N 3.08Å; V820-A822 PolarHBondContact O-N 2.91Å; A822-F824 PolarHBondContact O-N 3.39Å; A822-W825 PolarHBondContact O-N 3.08Å; A822-Q826 WeakPolarHBondContact O-CB 3.4Å; A822-Q826 PolarHBondContact O-N 3.23Å
823	T	82.4	Confident	85.7	Confident	22 Å²	22	41.9 Å²	41.9	14%	0.135	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-37.3	-169.6	-61.9	0	0	0	0	112.9	R774 Q777 R819 V820 H821 S827	R774-T823 HydrophobicContact CG-CG2 4.08Å; Q777-T823 PolarHBondContact NE2-OG1 2.94Å; R819-T823 PolarHBondContact O-N 3.22Å; R819-T823 PolarHBondContact O-OG1 2.77Å; V820-T823 PolarHBondContact O-N 2.91Å; H821-T823 VanDerWaalsContact C-N 3.35Å; H821-T823 PolarHBondContact O-N 3.28Å; T823-S827 PolarHBondContact O-N 3.34Å; T823-S827 PolarHBondContact O-OG 3.14Å
824	F	87.2	Confident	86.3	Confident	12 Å²	12	44 Å²	44	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-58.1	178.9	180	-92.9	0	0	0	110.3	A822 Q826 S827 Y828 S887 R893 L894 G895	A822-F824 PolarHBondContact O-N 3.39Å; F824-Q826 VanDerWaalsContact C-N 3.32Å; F824-Q826 PolarHBondContact O-N 3.4Å; F824-S827 PolarHBondContact O-N 3.49Å; F824-S827 PolarHBondContact O-OG 3.41Å; F824-Y828 HydrophobicContact CD1-CD2 4.45Å; F824-Y828 HydrophobicContact CD1-CG 4.43Å; F824-Y828 AromaticContact CD2-CD2 3.79Å; F824-Y828 HydrophobicContact CD2-CD2 3.79Å; F824-Y828 AromaticContact CD2-CE2 3.87Å; F824-Y828 HydrophobicContact CD2-CE2 3.87Å; F824-Y828 HydrophobicContact CD2-CG 4.4Å; F824-Y828 HydrophobicContact CE1-CD1 4.26Å; F824-Y828 HydrophobicContact CE1-CD2 4.25Å; F824-Y828 AromaticContact CE1-CG 3.91Å; F824-Y828 HydrophobicContact CE1-CG 3.91Å; F824-Y828 HydrophobicContact CE2-CD1 4.06Å; F824-Y828 AromaticContact CE2-CD2 3.54Å; F824-Y828 HydrophobicContact CE2-CD2 3.54Å; F824-Y828 AromaticContact CE2-CE1 3.98Å; F824-Y828 HydrophobicContact CE2-CE1 3.98Å; F824-Y828 AromaticContact CE2-CE2 3.46Å; F824-Y828 HydrophobicContact CE2-CE2 3.46Å; F824-Y828 VanDerWaalsContact CE2-CE2 3.46Å; F824-Y828 AromaticContact CE2-CG 3.86Å; F824-Y828 HydrophobicContact CE2-CG 3.86Å; F824-Y828 AromaticContact CE2-CZ 3.69Å; F824-Y828 HydrophobicContact CG-CD2 4.26Å; F824-Y828 AromaticContact CZ-CD1 3.64Å; F824-Y828 HydrophobicContact CZ-CD1 3.64Å; F824-Y828 AromaticContact CZ-CD2 3.8Å; F824-Y828 HydrophobicContact CZ-CD2 3.8Å; F824-Y828 AromaticContact CZ-CE1 3.9Å; F824-Y828 HydrophobicContact CZ-CE1 3.9Å; F824-Y828 HydrophobicContact CZ-CE2 4.06Å; F824-Y828 AromaticContact CZ-CG 3.59Å; F824-Y828 HydrophobicContact CZ-CG 3.59Å; F824-Y828 PolarHBondContact O-N 3.17Å; F824-S887 VanDerWaalsContact CE2-OG 3.26Å; F824-S887 WeakPolarHBondContact CE2-OG 3.04Å; F824-R893 HydrophobicContact CB-CB 4.02Å; F824-R893 HydrophobicContact CB-CG 4.42Å; F824-R893 HydrophobicContact CG-CB 4.39Å; F824-L894 VanDerWaalsContact CD1-O 3.29Å; F824-L894 WeakPolarHBondContact CD1-O 3.45Å; F824-G895 WeakPolarHBondContact CE1-O 3.46Å
825	W	91.9	Very high	86.9	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-43.9	179.1	-170.9	-105.9	0	0	0	112.9	F405 A409 E410 Y413 A822 S827 Y828 S829 I832 L894	F405-W825 HydrophobicContact CE1-CH2 4.22Å; F405-W825 AromaticContact CE1-CZ3 3.98Å; F405-W825 HydrophobicContact CE1-CZ3 3.98Å; F405-W825 HydrophobicContact CE2-CZ3 4.46Å; F405-W825 HydrophobicContact CZ-CH2 4.32Å; F405-W825 AromaticContact CZ-CZ3 3.69Å; F405-W825 HydrophobicContact CZ-CZ3 3.69Å; A409-W825 HydrophobicContact CB-CD2 4Å; A409-W825 HydrophobicContact CB-CE3 3.8Å; A409-W825 HydrophobicContact CB-CH2 3.37Å; A409-W825 HydrophobicContact CB-CZ2 3.58Å; A409-W825 HydrophobicContact CB-CZ3 3.48Å; A409-W825 VanDerWaalsContact CB-CZ3 3.48Å; E410-W825 HydrophobicContact CB-CZ2 4.37Å; E410-W825 PolarHBondContact OE2-NE1 3Å; Y413-W825 AromaticContact CD1-CD1 3.9Å; Y413-W825 HydrophobicContact CD2-CB 4.33Å; Y413-W825 AromaticContact CD2-CD1 3.75Å; Y413-W825 HydrophobicContact CD2-CG 4.4Å; Y413-W825 AromaticContact CG-CD1 3.45Å; Y413-W825 VanDerWaalsContact CG-CD1 3.45Å; Y413-W825 HydrophobicContact CG-CG 4.4Å; A822-W825 PolarHBondContact O-N 3.08Å; W825-S827 PolarHBondContact O-N 2.99Å; W825-S827 VanDerWaalsContact O-N 3.08Å; W825-Y828 PolarHBondContact O-N 3.32Å; W825-S829 WeakPolarHBondContact O-CB 3.43Å; W825-S829 PolarHBondContact O-N 2.51Å; W825-S829 PolarHBondContact O-OG 2.84Å; W825-S829 VanDerWaalsContact O-OG 3.1Å; W825-I832 HydrophobicContact CE3-CD1 4.1Å; W825-I832 HydrophobicContact CH2-CD1 4Å; W825-I832 HydrophobicContact CZ3-CD1 3.45Å; W825-I832 VanDerWaalsContact CZ3-CD1 3.45Å; W825-L894 HydrophobicContact CB-CB 4.47Å; W825-L894 HydrophobicContact CB-CD2 3.46Å; W825-L894 VanDerWaalsContact CB-CD2 3.46Å; W825-L894 HydrophobicContact CD2-CD2 3.81Å; W825-L894 HydrophobicContact CE3-CD2 4.19Å; W825-L894 HydrophobicContact CG-CD2 3.5Å; W825-L894 VanDerWaalsContact CG-CD2 3.5Å
826	Q	87.6	Confident	87.2	Confident	106 Å²	106	40.2 Å²	40.2	50%	0.495	19%	0.193	S	C	.	.	H	α-helix	trans	-54.2	-34.6	178.4	-173.4	178.4	15.8	0	0	113	Y413 A822 F824	Y413-Q826 HydrophobicContact CE2-CB 4.04Å; A822-Q826 WeakPolarHBondContact O-CB 3.4Å; A822-Q826 PolarHBondContact O-N 3.23Å; F824-Q826 VanDerWaalsContact C-N 3.32Å; F824-Q826 PolarHBondContact O-N 3.4Å
827	S	84.8	Confident	87.7	Confident	27 Å²	27	40.9 Å²	40.9	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-92.1	-32.3	179.7	65.6	0	0	0	0	114.2	R774 T823 F824 W825	R774-S827 PolarHBondContact NH2-OG 3.1Å; R774-S827 VanDerWaalsContact NH2-OG 3.15Å; T823-S827 PolarHBondContact O-N 3.34Å; T823-S827 PolarHBondContact O-OG 3.14Å; F824-S827 PolarHBondContact O-N 3.49Å; F824-S827 PolarHBondContact O-OG 3.41Å; W825-S827 PolarHBondContact O-N 2.99Å; W825-S827 VanDerWaalsContact O-N 3.08Å
828	Y	90.6	Very high	88.5	Confident	27 Å²	27	37.9 Å²	37.9	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-90.4	-27.9	-175.8	-85.2	-107.6	0	0	0	113.3	F824 W825 K830 R831 I832 L882 T885	F824-Y828 HydrophobicContact CD1-CD2 4.45Å; F824-Y828 HydrophobicContact CD1-CG 4.43Å; F824-Y828 AromaticContact CD2-CD2 3.79Å; F824-Y828 HydrophobicContact CD2-CD2 3.79Å; F824-Y828 AromaticContact CD2-CE2 3.87Å; F824-Y828 HydrophobicContact CD2-CE2 3.87Å; F824-Y828 HydrophobicContact CD2-CG 4.4Å; F824-Y828 HydrophobicContact CE1-CD1 4.26Å; F824-Y828 HydrophobicContact CE1-CD2 4.25Å; F824-Y828 AromaticContact CE1-CG 3.91Å; F824-Y828 HydrophobicContact CE1-CG 3.91Å; F824-Y828 HydrophobicContact CE2-CD1 4.06Å; F824-Y828 AromaticContact CE2-CD2 3.54Å; F824-Y828 HydrophobicContact CE2-CD2 3.54Å; F824-Y828 AromaticContact CE2-CE1 3.98Å; F824-Y828 HydrophobicContact CE2-CE1 3.98Å; F824-Y828 AromaticContact CE2-CE2 3.46Å; F824-Y828 HydrophobicContact CE2-CE2 3.46Å; F824-Y828 VanDerWaalsContact CE2-CE2 3.46Å; F824-Y828 AromaticContact CE2-CG 3.86Å; F824-Y828 HydrophobicContact CE2-CG 3.86Å; F824-Y828 AromaticContact CE2-CZ 3.69Å; F824-Y828 HydrophobicContact CG-CD2 4.26Å; F824-Y828 AromaticContact CZ-CD1 3.64Å; F824-Y828 HydrophobicContact CZ-CD1 3.64Å; F824-Y828 AromaticContact CZ-CD2 3.8Å; F824-Y828 HydrophobicContact CZ-CD2 3.8Å; F824-Y828 AromaticContact CZ-CE1 3.9Å; F824-Y828 HydrophobicContact CZ-CE1 3.9Å; F824-Y828 HydrophobicContact CZ-CE2 4.06Å; F824-Y828 AromaticContact CZ-CG 3.59Å; F824-Y828 HydrophobicContact CZ-CG 3.59Å; F824-Y828 PolarHBondContact O-N 3.17Å; W825-Y828 PolarHBondContact O-N 3.32Å; Y828-K830 VanDerWaalsContact C-N 3.25Å; Y828-K830 PolarHBondContact O-N 2.82Å; Y828-K830 VanDerWaalsContact O-N 3.14Å; Y828-R831 WeakPolarHBondContact O-CA 3.12Å; Y828-R831 WeakPolarHBondContact O-CB 3.11Å; Y828-R831 PolarHBondContact O-N 3.24Å; Y828-I832 WeakPolarHBondContact O-CG1 3.44Å; Y828-I832 PolarHBondContact O-N 3.4Å; Y828-L882 HydrophobicContact CD1-CD1 3.83Å; Y828-L882 HydrophobicContact CE1-CD1 4.41Å; Y828-T885 PolarHBondContact OH-O 3.09Å
829	S	92.9	Very high	89	Confident	14 Å²	14	39.5 Å²	39.5	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-38.5	-174.9	64.8	0	0	0	0	113.3	W825 R831 I832 K833	W825-S829 WeakPolarHBondContact O-CB 3.43Å; W825-S829 PolarHBondContact O-N 2.51Å; W825-S829 PolarHBondContact O-OG 2.84Å; W825-S829 VanDerWaalsContact O-OG 3.1Å; S829-R831 VanDerWaalsContact C-N 3.35Å; S829-R831 PolarHBondContact O-N 3.07Å; S829-I832 PolarHBondContact O-N 2.82Å; S829-K833 WeakPolarHBondContact O-CB 3.31Å; S829-K833 VanDerWaalsContact O-CG 3.29Å; S829-K833 WeakPolarHBondContact O-CG 3.41Å; S829-K833 PolarHBondContact O-N 2.85Å
830	K	91.1	Very high	89.5	Confident	165 Å²	165	38.2 Å²	38.2	72%	0.717	19%	0.187	S	C	*	.	H	α-helix	trans	-62.4	-40.2	175	-66	-174.6	178.8	-174.1	0	112.8	Y828 I832 S834	Y828-K830 VanDerWaalsContact C-N 3.25Å; Y828-K830 PolarHBondContact O-N 2.82Å; Y828-K830 VanDerWaalsContact O-N 3.14Å; K830-I832 VanDerWaalsContact C-N 3.35Å; K830-S834 WeakPolarHBondContact O-CB 3.28Å; K830-S834 PolarHBondContact O-N 2.87Å; K830-S834 VanDerWaalsContact O-N 3.14Å; K830-S834 PolarHBondContact O-OG 2.94Å
831	R	92.9	Very high	90.1	Very high	89 Å²	89	38.5 Å²	38.5	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-73.1	-30.7	179.8	-54.2	-177.4	-168.7	174.8	2.7	112	Y828 S829 S834 Q835 P881 L882	Y828-R831 WeakPolarHBondContact O-CA 3.12Å; Y828-R831 WeakPolarHBondContact O-CB 3.11Å; Y828-R831 PolarHBondContact O-N 3.24Å; S829-R831 VanDerWaalsContact C-N 3.35Å; S829-R831 PolarHBondContact O-N 3.07Å; R831-S834 PolarHBondContact O-OG 2.86Å; R831-Q835 WeakPolarHBondContact O-CG 3.44Å; R831-Q835 PolarHBondContact O-NE2 3.47Å; R831-P881 VanDerWaalsContact CD-O 3.28Å; R831-P881 WeakPolarHBondContact CD-O 3.47Å; R831-P881 PolarHBondContact NH1-O 2.53Å; R831-L882 HydrophobicContact CB-CB 4.35Å; R831-L882 HydrophobicContact CB-CD1 4.11Å
832	I	93.1	Very high	90.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-69.9	-51.3	174.9	-63.4	170.4	0	0	0	109.7	W402 F405 Q406 W825 Y828 S829 K830 S834 Q835 L882 I898	W402-I832 HydrophobicContact CH2-CG2 3.8Å; W402-I832 HydrophobicContact CZ2-CG2 3.81Å; F405-I832 HydrophobicContact CE1-CD1 4.33Å; Q406-I832 HydrophobicContact CG-CG2 3.9Å; W825-I832 HydrophobicContact CE3-CD1 4.1Å; W825-I832 HydrophobicContact CH2-CD1 4Å; W825-I832 HydrophobicContact CZ3-CD1 3.45Å; W825-I832 VanDerWaalsContact CZ3-CD1 3.45Å; Y828-I832 WeakPolarHBondContact O-CG1 3.44Å; Y828-I832 PolarHBondContact O-N 3.4Å; S829-I832 PolarHBondContact O-N 2.82Å; K830-I832 VanDerWaalsContact C-N 3.35Å; I832-S834 PolarHBondContact O-N 3.45Å; I832-Q835 WeakPolarHBondContact O-CB 3.34Å; I832-Q835 WeakPolarHBondContact O-CG 3.44Å; I832-Q835 PolarHBondContact O-N 3.36Å; I832-Q835 VanDerWaalsContact O-N 3.08Å; I832-L882 HydrophobicContact CG1-CD1 3.84Å; I832-L882 HydrophobicContact CG1-CD2 4.27Å; I832-I898 HydrophobicContact CD1-CD1 3.64Å; I832-I898 HydrophobicContact CG1-CD1 3.53Å
833	K	89.9	Confident	90.6	Very high	108 Å²	108	47.6 Å²	47.6	47%	0.47	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-23.7	-179.8	-70.5	175.2	-174	177.3	0	113.2	E410 S829 Q835	E410-K833 IonicContact OE1-NZ 3.53Å; E410-K833 IonicContact OE2-NZ 2.98Å; E410-K833 PolarHBondContact OE2-NZ 3.36Å; S829-K833 WeakPolarHBondContact O-CB 3.31Å; S829-K833 VanDerWaalsContact O-CG 3.29Å; S829-K833 WeakPolarHBondContact O-CG 3.41Å; S829-K833 PolarHBondContact O-N 2.85Å; K833-Q835 VanDerWaalsContact C-N 3.31Å
834	S	89.1	Confident	91.1	Very high	62 Å²	62	49.8 Å²	49.8	43%	0.434	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.7	176	70.6	0	0	0	0	114.1	K830 R831 I832	K830-S834 WeakPolarHBondContact O-CB 3.28Å; K830-S834 PolarHBondContact O-N 2.87Å; K830-S834 VanDerWaalsContact O-N 3.14Å; K830-S834 PolarHBondContact O-OG 2.94Å; R831-S834 PolarHBondContact O-OG 2.86Å; I832-S834 PolarHBondContact O-N 3.45Å
835	Q	92.6	Very high	91.3	Very high	26 Å²	26	49.9 Å²	49.9	12%	0.121	24%	0.244	C	C	.	.	S	Bend	trans	-73.8	137	176.8	-61.2	-59.3	-62.5	0	0	110.4	W402 R831 I832 K833 A837 I864 L882	W402-Q835 HydrophobicContact CZ2-CB 4.37Å; R831-Q835 WeakPolarHBondContact O-CG 3.44Å; R831-Q835 PolarHBondContact O-NE2 3.47Å; I832-Q835 WeakPolarHBondContact O-CB 3.34Å; I832-Q835 WeakPolarHBondContact O-CG 3.44Å; I832-Q835 PolarHBondContact O-N 3.36Å; I832-Q835 VanDerWaalsContact O-N 3.08Å; K833-Q835 VanDerWaalsContact C-N 3.31Å; Q835-A837 PolarHBondContact O-N 3.5Å; Q835-I864 HydrophobicContact CB-CD1 4.17Å; Q835-I864 HydrophobicContact CB-CG2 4.19Å; Q835-L882 HydrophobicContact CG-CD2 3.37Å
836	M	91.7	Very high	91.3	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.059	25%	0.25	C	C	.	.			trans	-86.7	99.7	176	-175.3	172.3	155.5	0	0	109.8	H167 L205 A230 I838	H167-M836 HydrophobicContact CB-CB 4.47Å; H167-M836 HydrophobicContact CB-CG 4.07Å; H167-M836 HydrophobicContact CB-SD 3.93Å; L205-M836 HydrophobicContact CD2-CE 3.5Å; A230-M836 HydrophobicContact CB-SD 4.49Å; A230-M836 WeakPolarHBondContact O-CE 3.45Å; M836-I838 HydrophobicContact CE-CD1 3.62Å; M836-I838 HydrophobicContact CE-CG1 3.84Å; M836-I838 HydrophobicContact CG-CD1 4.08Å; M836-I838 HydrophobicContact CG-CG1 4.16Å
837	A	93.4	Very high	91.5	Very high	19 Å²	19	53.4 Å²	53.4	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.7	173.3	0	0	0	0	0	109.8	I398 Q835 I864	I398-A837 HydrophobicContact CD1-CB 3.56Å; Q835-A837 PolarHBondContact O-N 3.5Å; A837-I864 HydrophobicContact CB-CG1 4.15Å
838	I	94.4	Very high	91.9	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.8	177.2	-59.3	-63.8	0	0	0	109.5	A201 F202 L205 Y236 M836 G862 A863	A201-I838 HydrophobicContact CB-CD1 3.67Å; F202-I838 HydrophobicContact CB-CG2 3.86Å; F202-I838 HydrophobicContact CD2-CG2 3.92Å; F202-I838 HydrophobicContact CG-CG2 4.41Å; L205-I838 HydrophobicContact CD1-CG2 4.26Å; Y236-I838 HydrophobicContact CD1-CB 3.65Å; Y236-I838 HydrophobicContact CD1-CG1 4.09Å; Y236-I838 HydrophobicContact CD1-CG2 4.2Å; Y236-I838 HydrophobicContact CE1-CB 3.47Å; Y236-I838 VanDerWaalsContact CE1-CB 3.47Å; Y236-I838 HydrophobicContact CE1-CG1 3.44Å; Y236-I838 VanDerWaalsContact CE1-CG1 3.44Å; Y236-I838 HydrophobicContact CE1-CG2 4.41Å; Y236-I838 HydrophobicContact CE2-CG1 4.01Å; Y236-I838 HydrophobicContact CG-CB 4.27Å; Y236-I838 HydrophobicContact CG-CG2 4.38Å; M836-I838 HydrophobicContact CE-CD1 3.62Å; M836-I838 HydrophobicContact CE-CG1 3.84Å; M836-I838 HydrophobicContact CG-CD1 4.08Å; M836-I838 HydrophobicContact CG-CG1 4.16Å; I838-G862 CarbonylContact O-C 3.59Å; I838-G862 WeakPolarHBondContact O-CA 3.38Å; I838-A863 PolarHBondContact N-O 2.97Å; I838-A863 PolarHBondContact O-N 3.32Å
839	W	93.8	Very high	92	Very high	41 Å²	41	55.1 Å²	55.1	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133	177.1	-52.7	109.3	0	0	0	110.1	I398 N399 W402 I403 N860	I398-W839 HydrophobicContact CD1-CH2 3.64Å; I398-W839 HydrophobicContact CD1-CZ2 4.14Å; I398-W839 HydrophobicContact CD1-CZ3 3.87Å; I398-W839 HydrophobicContact CG1-CH2 4.14Å; I398-W839 HydrophobicContact CG1-CZ3 3.93Å; N399-W839 WeakPolarHBondContact O-CH2 3.48Å; W402-W839 HydrophobicContact CB-CH2 4.49Å; I403-W839 HydrophobicContact CD1-CH2 4.41Å; I403-W839 HydrophobicContact CD1-CZ2 3.65Å; I403-W839 HydrophobicContact CG1-CH2 4.46Å; I403-W839 HydrophobicContact CG1-CZ2 3.91Å; W839-N860 HydrophobicContact CD2-CB 3.83Å; W839-N860 HydrophobicContact CE3-CB 3.49Å; W839-N860 VanDerWaalsContact CE3-CB 3.49Å; W839-N860 HydrophobicContact CG-CB 4.3Å; W839-N860 HydrophobicContact CZ3-CB 3.98Å
840	L	93.2	Very high	92.1	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.084	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-86.4	132.4	-178.9	-67.6	174.6	0	0	0	110.4	F202 L845 Y861	F202-L840 HydrophobicContact CD2-CD2 3.69Å; F202-L840 HydrophobicContact CE2-CD2 3.43Å; F202-L840 VanDerWaalsContact CE2-CD2 3.43Å; F202-L840 HydrophobicContact CZ-CD2 4.18Å; L840-L845 HydrophobicContact CB-CD2 4.03Å; L840-L845 HydrophobicContact CD1-CD2 4Å; L840-Y861 PolarHBondContact N-O 2.82Å
841	P	91.5	Very high	92.3	Very high	34 Å²	34	56 Å²	56	22%	0.221	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-56.8	148	166	-25.3	36	0	0	0	111.8	F202 D843 Q844	F202-P841 HydrophobicContact CD1-CG 3.84Å; F202-P841 HydrophobicContact CE1-CG 4.44Å; F202-P841 HydrophobicContact CG-CG 4.35Å; P841-D843 WeakPolarHBondContact CB-OD1 3.31Å; P841-D843 PolarHBondContact O-N 2.91Å; P841-Q844 HydrophobicContact CB-CG 4.19Å; P841-Q844 HydrophobicContact CG-CG 4.34Å; P841-Q844 WeakPolarHBondContact O-CB 3.46Å; P841-Q844 PolarHBondContact O-N 3Å
842	H	89.2	Confident	92.4	Very high	93 Å²	93	53.6 Å²	53.6	43%	0.431	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.6	-33.1	-176.2	-73	-64.1	0	0	0	114.2	Q844 L845 Y855 C857	H842-Q844 PolarHBondContact O-N 2.9Å; H842-L845 PolarHBondContact O-N 3.49Å; H842-Y855 PolarHBondContact CE1-OH 3.39Å; H842-Y855 VanDerWaalsContact CE1-OH 3.28Å; H842-Y855 AromaticContact ND1-CZ 4Å; H842-Y855 PolarHBondContact ND1-OH 3.25Å; H842-C857 PolarHBondContact CE1-O 3.36Å; H842-C857 PolarHBondContact NE2-O 3.43Å
843	D	89.8	Confident	92.4	Very high	121 Å²	121	62 Å²	62	65%	0.647	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17.4	177.8	62.9	-55.6	0	0	0	113.2	P841	P841-D843 WeakPolarHBondContact CB-OD1 3.31Å; P841-D843 PolarHBondContact O-N 2.91Å
844	Q	91.6	Very high	92.5	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-92.6	-8	176.6	-57.5	-57.9	-48.7	0	0	113	F202 P841 H842	F202-Q844 HydrophobicContact CE1-CG 3.91Å; F202-Q844 HydrophobicContact CZ-CG 4.19Å; P841-Q844 HydrophobicContact CB-CG 4.19Å; P841-Q844 HydrophobicContact CG-CG 4.34Å; P841-Q844 WeakPolarHBondContact O-CB 3.46Å; P841-Q844 PolarHBondContact O-N 3Å; H842-Q844 PolarHBondContact O-N 2.9Å
845	L	92.8	Very high	92.8	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.068	30%	0.303	C	S	.	.	S	Bend	trans	-75.4	139.3	177.3	-67.2	174.9	0	0	0	111.3	L840 H842 L850 Y855 Y861	L840-L845 HydrophobicContact CB-CD2 4.03Å; L840-L845 HydrophobicContact CD1-CD2 4Å; H842-L845 PolarHBondContact O-N 3.49Å; L845-L850 HydrophobicContact CB-CD2 4.07Å; L845-L850 HydrophobicContact CB-CG 4.25Å; L845-L850 HydrophobicContact CD1-CD2 4.25Å; L845-Y855 HydrophobicContact CD1-CE2 3.99Å; L845-Y861 HydrophobicContact CD1-CD2 4Å
846	P	91.8	Very high	92.8	Very high	17 Å²	17	62.3 Å²	62.3	11%	0.11	32%	0.318	C	S	.	.			trans	-61.1	146.7	177.3	-25.6	35.6	0	0	0	112.4	L238 N848 V849 L850	L238-P846 HydrophobicContact CB-CG 3.9Å; L238-P846 HydrophobicContact CD2-CG 3.91Å; L238-P846 HydrophobicContact CG-CG 4.43Å; P846-N848 PolarHBondContact O-N 2.6Å; P846-N848 VanDerWaalsContact O-N 3.11Å; P846-V849 HydrophobicContact CB-CG2 4.36Å; P846-V849 HydrophobicContact CG-CG2 4.44Å; P846-V849 WeakPolarHBondContact O-CA 3.37Å; P846-V849 WeakPolarHBondContact O-CB 3.46Å; P846-V849 PolarHBondContact O-N 2.87Å; P846-L850 PolarHBondContact O-N 2.71Å
847	K	91.9	Very high	92.8	Very high	165 Å²	165	65.7 Å²	65.7	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-54.2	-34.8	177.6	-65.4	-177.6	-178.4	177.8	0	113	V849 L850 N851	K847-V849 PolarHBondContact O-N 3.12Å; K847-L850 PolarHBondContact O-N 2.77Å; K847-N851 VanDerWaalsContact O-CB 3.26Å; K847-N851 WeakPolarHBondContact O-CB 3.5Å; K847-N851 PolarHBondContact O-N 2.62Å; K847-N851 PolarHBondContact O-ND2 3.28Å
848	N	91.7	Very high	92.7	Very high	90 Å²	90	73.6 Å²	73.6	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-33	176.1	-71.6	-14.6	0	0	0	112.8	P846 Y908	P846-N848 PolarHBondContact O-N 2.6Å; P846-N848 VanDerWaalsContact O-N 3.11Å; N848-Y908 HydrophobicContact CB-CE2 3.91Å
849	V	94.6	Very high	92.6	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-73.7	-51.7	174.9	-178.4	0	0	0	0	109.7	L238 P846 K847 N851 D852 Y855 P905 P906 Y908	L238-V849 HydrophobicContact CD2-CG2 4.41Å; P846-V849 HydrophobicContact CB-CG2 4.36Å; P846-V849 HydrophobicContact CG-CG2 4.44Å; P846-V849 WeakPolarHBondContact O-CA 3.37Å; P846-V849 WeakPolarHBondContact O-CB 3.46Å; P846-V849 PolarHBondContact O-N 2.87Å; K847-V849 PolarHBondContact O-N 3.12Å; V849-N851 PolarHBondContact O-N 2.86Å; V849-D852 PolarHBondContact O-N 2.86Å; V849-D852 VanDerWaalsContact O-N 3.12Å; V849-Y855 HydrophobicContact CG1-CD2 3.92Å; V849-Y855 HydrophobicContact CG1-CE2 4.32Å; V849-Y855 WeakPolarHBondContact O-CB 3.47Å; V849-P905 HydrophobicContact CG1-CB 4.06Å; V849-P905 HydrophobicContact CG2-CB 3.93Å; V849-P905 HydrophobicContact CG2-CG 4.08Å; V849-P906 WeakPolarHBondContact CA-O 3.46Å; V849-P906 HydrophobicContact CG1-CB 4.18Å; V849-P906 HydrophobicContact CG1-CG 4.31Å; V849-Y908 HydrophobicContact CG2-CD2 3.87Å; V849-Y908 HydrophobicContact CG2-CE2 3.61Å
850	L	94.6	Very high	92.5	Very high	64 Å²	64	75.6 Å²	75.6	34%	0.335	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-30.2	-176.4	-62.4	176.2	0	0	0	113.3	L845 P846 K847 Y855	L845-L850 HydrophobicContact CB-CD2 4.07Å; L845-L850 HydrophobicContact CB-CG 4.25Å; L845-L850 HydrophobicContact CD1-CD2 4.25Å; P846-L850 PolarHBondContact O-N 2.71Å; K847-L850 PolarHBondContact O-N 2.77Å; L850-Y855 HydrophobicContact CD2-CE1 3.9Å; L850-Y855 HydrophobicContact CD2-CE2 4.09Å; L850-Y855 WeakPolarHBondContact CD2-OH 2.96Å
851	N	94.3	Very high	92.6	Very high	133 Å²	133	75.8 Å²	75.8	71%	0.711	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-7	-179	-65.1	-19.7	0	0	0	113.8	K847 V849	K847-N851 VanDerWaalsContact O-CB 3.26Å; K847-N851 WeakPolarHBondContact O-CB 3.5Å; K847-N851 PolarHBondContact O-N 2.62Å; K847-N851 PolarHBondContact O-ND2 3.28Å; V849-N851 PolarHBondContact O-N 2.86Å
852	D	95	Very high	92.8	Very high	39 Å²	39	74.3 Å²	74.3	21%	0.209	38%	0.379	C	S	.	.	S	Bend	trans	-76	140.5	-179.7	-173.3	-81	0	0	0	111	V849 S854 Y855 P906 G907 K1128	V849-D852 PolarHBondContact O-N 2.86Å; V849-D852 VanDerWaalsContact O-N 3.12Å; D852-S854 PolarHBondContact O-N 3.41Å; D852-S854 WeakPolarHBondContact OD1-CB 3.25Å; D852-S854 PolarHBondContact OD1-N 2.92Å; D852-S854 PolarHBondContact OD1-OG 3.44Å; D852-Y855 VanDerWaalsContact O-CB 3.24Å; D852-Y855 WeakPolarHBondContact O-CB 3.36Å; D852-Y855 PolarHBondContact O-N 3.46Å; D852-Y855 VanDerWaalsContact O-N 3.07Å; D852-P906 HydrophobicContact CB-CB 3.88Å; D852-G907 WeakPolarHBondContact OD2-CA 3.35Å; D852-G907 PolarHBondContact OD2-N 3.31Å; D852-G907 VanDerWaalsContact OD2-N 3.1Å; D852-K1128 IonicContact OD2-NZ 2.69Å
853	Q	94	Very high	93.2	Very high	177 Å²	177	69.9 Å²	69.9	83%	0.827	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.7	-176.3	-64.5	176.3	3.5	0	0	113.6	Y855	Q853-Y855 VanDerWaalsContact C-N 3.31Å
854	S	91.7	Very high	93.5	Very high	70 Å²	70	64.1 Å²	64.1	49%	0.49	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.6	178.1	66.7	0	0	0	0	113.6	D852 N856 P906	D852-S854 PolarHBondContact O-N 3.41Å; D852-S854 WeakPolarHBondContact OD1-CB 3.25Å; D852-S854 PolarHBondContact OD1-N 2.92Å; D852-S854 PolarHBondContact OD1-OG 3.44Å; S854-N856 PolarHBondContact O-N 3.44Å; S854-P906 WeakPolarHBondContact OG-CB 3.14Å
855	Y	94.7	Very high	93.8	Very high	51 Å²	51	61.1 Å²	61.1	20%	0.2	31%	0.314	C	S	.	.			trans	-68.5	130.8	178.2	175.9	-110.1	0	0	0	112.4	H842 L845 V849 L850 D852 Q853 C857 Y861 P906	H842-Y855 PolarHBondContact CE1-OH 3.39Å; H842-Y855 VanDerWaalsContact CE1-OH 3.28Å; H842-Y855 AromaticContact ND1-CZ 4Å; H842-Y855 PolarHBondContact ND1-OH 3.25Å; L845-Y855 HydrophobicContact CD1-CE2 3.99Å; V849-Y855 HydrophobicContact CG1-CD2 3.92Å; V849-Y855 HydrophobicContact CG1-CE2 4.32Å; V849-Y855 WeakPolarHBondContact O-CB 3.47Å; L850-Y855 HydrophobicContact CD2-CE1 3.9Å; L850-Y855 HydrophobicContact CD2-CE2 4.09Å; L850-Y855 WeakPolarHBondContact CD2-OH 2.96Å; D852-Y855 VanDerWaalsContact O-CB 3.24Å; D852-Y855 WeakPolarHBondContact O-CB 3.36Å; D852-Y855 PolarHBondContact O-N 3.46Å; D852-Y855 VanDerWaalsContact O-N 3.07Å; Q853-Y855 VanDerWaalsContact C-N 3.31Å; Y855-C857 HydrophobicContact CE1-CB 4.14Å; Y855-Y861 HydrophobicContact CD2-CD2 4.43Å; Y855-Y861 AromaticContact CD2-CE2 3.62Å; Y855-Y861 HydrophobicContact CD2-CE2 3.62Å; Y855-Y861 AromaticContact CD2-CZ 3.99Å; Y855-Y861 AromaticContact CE2-CD2 3.93Å; Y855-Y861 HydrophobicContact CE2-CD2 3.93Å; Y855-Y861 AromaticContact CE2-CE2 3.4Å; Y855-Y861 HydrophobicContact CE2-CE2 3.4Å; Y855-P906 HydrophobicContact CD2-CG 4.31Å
856	N	93.6	Very high	93.9	Very high	82 Å²	82	60.6 Å²	60.6	44%	0.439	31%	0.311	S	S	.	.			trans	-116.9	112.3	176.9	179.3	0.1	0	0	0	109.5	S854 K858 A859 Y861	S854-N856 PolarHBondContact O-N 3.44Å; N856-K858 PolarHBondContact O-N 2.83Å; N856-K858 VanDerWaalsContact O-N 3.14Å; N856-K858 WeakPolarHBondContact OD1-CB 3.49Å; N856-K858 PolarHBondContact OD1-N 2.89Å; N856-A859 HydrophobicContact CB-CB 3.95Å; N856-A859 PolarHBondContact O-N 3.4Å; N856-Y861 PolarHBondContact N-OH 3.36Å
857	C	90.8	Very high	94.1	Very high	83 Å²	83	62 Å²	62	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.6	179.2	62.7	0	0	0	0	114.6	H842 Y855	H842-C857 PolarHBondContact CE1-O 3.36Å; H842-C857 PolarHBondContact NE2-O 3.43Å; Y855-C857 HydrophobicContact CE1-CB 4.14Å
858	K	91.6	Very high	94.2	Very high	184 Å²	184	54.4 Å²	54.4	80%	0.8	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-10.4	174.7	-61.2	-174.9	179.5	-178	0	113.3	N856	N856-K858 PolarHBondContact O-N 2.83Å; N856-K858 VanDerWaalsContact O-N 3.14Å; N856-K858 WeakPolarHBondContact OD1-CB 3.49Å; N856-K858 PolarHBondContact OD1-N 2.89Å
859	A	91.9	Very high	94.5	Very high	10 Å²	10	51.5 Å²	51.5	8%	0.083	27%	0.268	C	S	.	.	S	Bend	trans	-88.4	147.2	-179.8	0	0	0	0	0	110.6	D400 N856 Y861	D400-A859 WeakPolarHBondContact OD2-CA 3.44Å; D400-A859 VanDerWaalsContact OD2-CB 3.27Å; D400-A859 WeakPolarHBondContact OD2-CB 3.38Å; N856-A859 HydrophobicContact CB-CB 3.95Å; N856-A859 PolarHBondContact O-N 3.4Å; A859-Y861 HydrophobicContact CB-CE2 4.1Å
860	N	92.9	Very high	94.5	Very high	77 Å²	77	52 Å²	52	41%	0.412	27%	0.271	S	S	.	.			trans	-87.1	138.7	172.2	-55	-69.7	0	0	0	110.4	N399 D400 W839	N399-N860 VanDerWaalsContact CA-O 3.25Å; N399-N860 WeakPolarHBondContact CA-O 3.27Å; N399-N860 WeakPolarHBondContact CB-O 3.14Å; D400-N860 PolarHBondContact N-O 3.45Å; D400-N860 VanDerWaalsContact OD1-CB 3.24Å; D400-N860 WeakPolarHBondContact OD1-CB 3.47Å; D400-N860 PolarHBondContact OD1-N 3.07Å; D400-N860 VanDerWaalsContact OD1-N 3.09Å; D400-N860 PolarHBondContact OD1-ND2 3.07Å; D400-N860 PolarHBondContact OD2-N 2.94Å; W839-N860 HydrophobicContact CD2-CB 3.83Å; W839-N860 HydrophobicContact CE3-CB 3.49Å; W839-N860 VanDerWaalsContact CE3-CB 3.49Å; W839-N860 HydrophobicContact CG-CB 4.3Å; W839-N860 HydrophobicContact CZ3-CB 3.98Å
861	Y	95.3	Very high	94.6	Very high	19 Å²	19	49 Å²	49	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.8	172.5	-59	-78.2	0	0	0	107.9	N399 L840 L845 Y855 N856 A859 P905 P906	N399-Y861 HydrophobicContact CB-CD1 4.25Å; N399-Y861 HydrophobicContact CB-CE1 4.5Å; L840-Y861 PolarHBondContact N-O 2.82Å; L845-Y861 HydrophobicContact CD1-CD2 4Å; Y855-Y861 HydrophobicContact CD2-CD2 4.43Å; Y855-Y861 AromaticContact CD2-CE2 3.62Å; Y855-Y861 HydrophobicContact CD2-CE2 3.62Å; Y855-Y861 AromaticContact CD2-CZ 3.99Å; Y855-Y861 AromaticContact CE2-CD2 3.93Å; Y855-Y861 HydrophobicContact CE2-CD2 3.93Å; Y855-Y861 AromaticContact CE2-CE2 3.4Å; Y855-Y861 HydrophobicContact CE2-CE2 3.4Å; N856-Y861 PolarHBondContact N-OH 3.36Å; A859-Y861 HydrophobicContact CB-CE2 4.1Å; Y861-P905 HydrophobicContact CD1-CB 4.35Å; Y861-P906 HydrophobicContact CE1-CG 3.83Å; Y861-P906 WeakPolarHBondContact OH-CG 3.43Å
862	G	95.3	Very high	94.6	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-167.7	-172.5	0	0	0	0	0	111.9	P397 I398 I838	P397-G862 WeakPolarHBondContact CA-O 3.04Å; I398-G862 PolarHBondContact N-O 2.94Å; I398-G862 PolarHBondContact O-N 2.69Å; I838-G862 CarbonylContact O-C 3.59Å; I838-G862 WeakPolarHBondContact O-CA 3.38Å
863	A	96.8	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.5	174.9	0	0	0	0	0	112.8	Y236 Y395 L396 I838	Y236-A863 HydrophobicContact CD1-CB 4.12Å; Y236-A863 WeakPolarHBondContact CE1-O 3.49Å; Y395-A863 HydrophobicContact CD2-CB 3.98Å; Y395-A863 HydrophobicContact CE1-CB 4.26Å; Y395-A863 HydrophobicContact CE2-CB 3.25Å; Y395-A863 VanDerWaalsContact CZ-CB 3.42Å; Y395-A863 WeakPolarHBondContact OH-CB 3.21Å; L396-A863 CarbonylContact O-C 3.33Å; L396-A863 VanDerWaalsContact O-CA 3.24Å; L396-A863 WeakPolarHBondContact O-CA 2.99Å; I838-A863 PolarHBondContact N-O 2.97Å; I838-A863 PolarHBondContact O-N 3.32Å
864	I	97.1	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.4	165.6	-65.9	168.5	0	0	0	107.1	L396 I398 W402 Q835 A837 W883	L396-I864 HydrophobicContact CB-CB 4.37Å; L396-I864 WeakPolarHBondContact CB-O 3.35Å; L396-I864 PolarHBondContact N-O 3.47Å; L396-I864 PolarHBondContact O-N 3.37Å; I398-I864 HydrophobicContact CD1-CD1 4.14Å; I398-I864 HydrophobicContact CD1-CG1 3.93Å; I398-I864 HydrophobicContact CG2-CD1 3.99Å; I398-I864 HydrophobicContact CG2-CG1 4.3Å; W402-I864 HydrophobicContact CD2-CD1 4.1Å; W402-I864 HydrophobicContact CE3-CD1 4.48Å; W402-I864 HydrophobicContact CH2-CD1 4.02Å; W402-I864 HydrophobicContact CZ2-CD1 3.59Å; W402-I864 HydrophobicContact CZ3-CD1 4.45Å; Q835-I864 HydrophobicContact CB-CD1 4.17Å; Q835-I864 HydrophobicContact CB-CG2 4.19Å; A837-I864 HydrophobicContact CB-CG1 4.15Å; I864-W883 HydrophobicContact CD1-CZ2 3.92Å; I864-W883 HydrophobicContact CG2-CZ2 4.27Å
865	L	96.8	Very high	94.7	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.179	C	C	.	.			trans	-101.2	108.8	172.5	-60.1	-174	0	0	0	108.3	E235 Y236 Y395 Q867	E235-L865 HydrophobicContact CB-CD1 3.5Å; Y236-L865 HydrophobicContact CD1-CD1 4.25Å; Y236-L865 HydrophobicContact CD1-CD2 4.47Å; Y236-L865 HydrophobicContact CD1-CG 4.04Å; Y236-L865 HydrophobicContact CD2-CD1 3.76Å; Y236-L865 HydrophobicContact CD2-CG 4.43Å; Y236-L865 HydrophobicContact CE1-CD1 4Å; Y236-L865 HydrophobicContact CE1-CD2 4.48Å; Y236-L865 HydrophobicContact CE1-CG 3.65Å; Y236-L865 HydrophobicContact CE2-CD1 3.47Å; Y236-L865 VanDerWaalsContact CE2-CD1 3.47Å; Y236-L865 HydrophobicContact CE2-CG 4.08Å; Y236-L865 HydrophobicContact CG-CD1 4.14Å; Y236-L865 HydrophobicContact CG-CG 4.41Å; Y395-L865 HydrophobicContact CD2-CD2 3.81Å; L865-Q867 PolarHBondContact O-N 3.15Å
866	P	95.6	Very high	94.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	17%	0.171	C	C	.	.			trans	-67	133.9	-179.7	28.1	-34.2	0	0	0	110	M394 L396 V868 E880 W883	M394-P866 HydrophobicContact CB-CG 3.81Å; L396-P866 HydrophobicContact CD1-CB 4.24Å; L396-P866 HydrophobicContact CD1-CG 4.1Å; L396-P866 HydrophobicContact CG-CG 4.26Å; P866-V868 HydrophobicContact CB-CG2 3.83Å; P866-V868 HydrophobicContact CG-CG2 4.02Å; P866-V868 PolarHBondContact O-N 3.04Å; P866-E880 HydrophobicContact CB-CG 4.4Å; P866-W883 HydrophobicContact CB-CG 4.42Å
867	Q	95.2	Very high	94.8	Very high	46 Å²	46	29.8 Å²	29.8	22%	0.215	16%	0.159	C	C	.	.			trans	-82.4	66	-179.1	-63.8	177.1	11.2	0	0	110.5	F224 S226 L865	F224-Q867 HydrophobicContact CE2-CB 4.48Å; F224-Q867 HydrophobicContact CZ-CB 4.28Å; S226-Q867 WeakPolarHBondContact OG-CA 3.45Å; S226-Q867 PolarHBondContact OG-O 3.34Å; L865-Q867 PolarHBondContact O-N 3.15Å
868	V	95.8	Very high	95.1	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.042	14%	0.136	C	C	.	.			trans	-79.6	121.7	-173.9	-176.4	0	0	0	0	111.1	S226 M394 P866 T870 A878 E880 L884	S226-V868 WeakPolarHBondContact CB-O 3.35Å; S226-V868 PolarHBondContact OG-N 3.02Å; M394-V868 HydrophobicContact SD-CG2 4.1Å; P866-V868 HydrophobicContact CB-CG2 3.83Å; P866-V868 HydrophobicContact CG-CG2 4.02Å; P866-V868 PolarHBondContact O-N 3.04Å; V868-T870 PolarHBondContact O-N 2.86Å; V868-A878 HydrophobicContact CG1-CB 3.65Å; V868-E880 HydrophobicContact CG2-CB 4.14Å; V868-E880 HydrophobicContact CG2-CG 4.28Å; V868-L884 HydrophobicContact CG1-CD1 4.17Å
869	I	97.1	Very high	95.3	Very high	28 Å²	28	20.2 Å²	20.2	14%	0.144	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-80.4	105	161.5	-56.6	173.4	0	0	0	106.3	F224 L249 S250 C871 G872 A878 V879	F224-I869 HydrophobicContact CD2-CD1 4.14Å; F224-I869 HydrophobicContact CD2-CG1 3.75Å; F224-I869 HydrophobicContact CE2-CD1 4.12Å; F224-I869 HydrophobicContact CE2-CG1 3.72Å; L249-I869 HydrophobicContact CD2-CD1 3.88Å; L249-I869 HydrophobicContact CD2-CG1 4.48Å; L249-I869 HydrophobicContact CG-CG2 4.48Å; S250-I869 WeakPolarHBondContact OG-CG2 3.43Å; I869-C871 PolarHBondContact O-N 2.8Å; I869-G872 PolarHBondContact O-N 3.05Å; I869-A878 CarbonylContact O-C 3.45Å; I869-A878 WeakPolarHBondContact O-CA 3.43Å; I869-V879 PolarHBondContact N-O 3.22Å; I869-V879 PolarHBondContact O-N 3.45Å
870	T	95.5	Very high	95.4	Very high	10 Å²	10	20 Å²	20	6%	0.061	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.3	-169.9	55.5	0	0	0	0	112.8	S250 M391 V868 A878	S250-T870 PolarHBondContact OG-N 2.85Å; S250-T870 PolarHBondContact OG-OG1 3.21Å; M391-T870 HydrophobicContact CB-CG2 3.81Å; V868-T870 PolarHBondContact O-N 2.86Å; T870-A878 WeakPolarHBondContact O-CA 3.24Å
871	C	95.8	Very high	95.3	Very high	1 Å²	1	20 Å²	20	1%	0.007	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	83.9	167.6	175.1	0	0	0	0	110.2	S250 V253 A254 L388 I869 R876	S250-C871 WeakPolarHBondContact CA-O 3.47Å; S250-C871 WeakPolarHBondContact O-CB 3.29Å; S250-C871 PolarHBondContact OG-N 3.39Å; V253-C871 VanDerWaalsContact CB-O 3.27Å; V253-C871 WeakPolarHBondContact CB-O 3.15Å; V253-C871 WeakPolarHBondContact CG1-O 3.46Å; A254-C871 VanDerWaalsContact CB-SG 3.53Å; L388-C871 HydrophobicContact CD2-CB 4.15Å; I869-C871 PolarHBondContact O-N 2.8Å; C871-R876 VanDerWaalsContact SG-CA 3.52Å
872	G	93.9	Very high	95.2	Very high	18 Å²	18	19.1 Å²	19.1	19%	0.186	11%	0.113	C	C	.	.			trans	-98.4	-4.5	-175.5	0	0	0	0	0	115.3	I869 R877	I869-G872 PolarHBondContact O-N 3.05Å; G872-R877 PolarHBondContact N-O 2.74Å
873	T	94.7	Very high	95.2	Very high	46 Å²	46	19.2 Å²	19.2	28%	0.282	11%	0.112	S	C	.	.	S	Bend	trans	-131.3	162.5	-179.7	62.4	0	0	0	0	111.8	S875 R876 R877 V879	T873-S875 PolarHBondContact O-N 3.43Å; T873-S875 PolarHBondContact OG1-OG 2.79Å; T873-R876 WeakPolarHBondContact O-CA 3.46Å; T873-R876 PolarHBondContact O-N 2.73Å; T873-R877 PolarHBondContact N-O 2.88Å; T873-R877 WeakPolarHBondContact OG1-CB 3.28Å; T873-R877 PolarHBondContact OG1-N 2.72Å; T873-R877 PolarHBondContact OG1-O 3.09Å; T873-V879 HydrophobicContact CG2-CG2 3.52Å
874	V	94.3	Very high	95	Very high	17 Å²	17	19.8 Å²	19.8	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.8	175.9	175.3	0	0	0	0	112.8	L258 T259 R876 L1064 T1065 L1068 W1084	L258-V874 WeakPolarHBondContact O-CG2 3.43Å; T259-V874 HydrophobicContact CG2-CG2 4.28Å; V874-R876 PolarHBondContact O-N 3.26Å; V874-L1064 HydrophobicContact CG1-CD1 4.41Å; V874-T1065 HydrophobicContact CG1-CG2 3.48Å; V874-T1065 VanDerWaalsContact CG1-CG2 3.48Å; V874-T1065 HydrophobicContact CG2-CG2 4.36Å; V874-L1068 HydrophobicContact CG1-CD1 3.8Å; V874-W1084 PolarHBondContact O-NE1 2.78Å
875	S	93.9	Very high	94.7	Very high	11 Å²	11	22.8 Å²	22.8	8%	0.077	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0	173.2	51.1	0	0	0	0	113.8	T873 R877 Q1087 S1088 V1091	T873-S875 PolarHBondContact O-N 3.43Å; T873-S875 PolarHBondContact OG1-OG 2.79Å; S875-R877 VanDerWaalsContact C-N 3.27Å; S875-Q1087 PolarHBondContact OG-OE1 2.98Å; S875-S1088 VanDerWaalsContact O-CA 3.28Å; S875-S1088 WeakPolarHBondContact O-CA 3.42Å; S875-S1088 WeakPolarHBondContact O-CB 3.26Å; S875-S1088 PolarHBondContact O-OG 2.78Å; S875-V1091 WeakPolarHBondContact O-CG2 2.88Å
876	R	96	Very high	94.2	Very high	6 Å²	6	23 Å²	23	2%	0.023	14%	0.136	C	C	.	.			trans	70.7	11	-174.1	-54.5	179.5	-73.5	135	6	115.7	C871 T873 V874 A1062 S1088 V1091 D1092	C871-R876 VanDerWaalsContact SG-CA 3.52Å; T873-R876 WeakPolarHBondContact O-CA 3.46Å; T873-R876 PolarHBondContact O-N 2.73Å; V874-R876 PolarHBondContact O-N 3.26Å; R876-A1062 VanDerWaalsContact NH2-CB 3.35Å; R876-S1088 VanDerWaalsContact CZ-OG 3.26Å; R876-S1088 PolarHBondContact NE-OG 3.03Å; R876-S1088 PolarHBondContact NH2-O 2.8Å; R876-S1088 PolarHBondContact NH2-OG 3.41Å; R876-V1091 HydrophobicContact CB-CB 4.43Å; R876-V1091 HydrophobicContact CB-CG1 3.96Å; R876-V1091 HydrophobicContact CB-CG2 4.39Å; R876-D1092 IonicContact CZ-OD1 3.84Å; R876-D1092 VanDerWaalsContact CZ-OD1 3.29Å; R876-D1092 IonicContact NH1-OD1 3.17Å; R876-D1092 PolarHBondContact NH1-OD1 3.43Å; R876-D1092 IonicContact NH2-OD1 3.92Å; R876-D1092 PolarHBondContact NH2-OD1 2.78Å; R876-D1092 IonicContact NH2-OD2 3.91Å
877	R	95.5	Very high	93.6	Very high	51 Å²	51	24.1 Å²	24.1	19%	0.192	14%	0.144	C	C	.	.			trans	-66.5	142.3	173.3	-68.5	-177.2	173.2	-162.3	5.8	110.6	G872 T873 S875 E919 V1091	G872-R877 PolarHBondContact N-O 2.74Å; T873-R877 PolarHBondContact N-O 2.88Å; T873-R877 WeakPolarHBondContact OG1-CB 3.28Å; T873-R877 PolarHBondContact OG1-N 2.72Å; T873-R877 PolarHBondContact OG1-O 3.09Å; S875-R877 VanDerWaalsContact C-N 3.27Å; R877-E919 IonicContact CZ-OE1 3.4Å; R877-E919 IonicContact NH2-OE1 2.94Å; R877-E919 PolarHBondContact NH2-OE1 2.94Å; R877-E919 IonicContact NH2-OE2 2.78Å; R877-E919 PolarHBondContact NH2-OE2 3.36Å; R877-V1091 HydrophobicContact CG-CG2 3.79Å
878	A	96.3	Very high	93.3	Very high	9 Å²	9	25 Å²	25	7%	0.074	15%	0.15	C	C	.	.			trans	-63.5	150.2	170.4	0	0	0	0	0	112.1	M391 V868 I869 T870 L884	M391-A878 HydrophobicContact CE-CB 3.45Å; M391-A878 VanDerWaalsContact CE-CB 3.45Å; V868-A878 HydrophobicContact CG1-CB 3.65Å; I869-A878 CarbonylContact O-C 3.45Å; I869-A878 WeakPolarHBondContact O-CA 3.43Å; T870-A878 WeakPolarHBondContact O-CA 3.24Å; A878-L884 HydrophobicContact CB-CD1 3.7Å
879	V	95.2	Very high	93.1	Very high	57 Å²	57	25.9 Å²	25.9	35%	0.345	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-131.3	130.9	178.6	-179.9	0	0	0	0	109.5	I869 T873	I869-V879 PolarHBondContact N-O 3.22Å; I869-V879 PolarHBondContact O-N 3.45Å; T873-V879 HydrophobicContact CG2-CG2 3.52Å
880	E	93.7	Very high	92.7	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.028	16%	0.164	C	C	.	.			trans	-151.7	136.5	170.2	-167.6	-76	144.1	0	0	108	P866 V868 L882 W883 L884	P866-E880 HydrophobicContact CB-CG 4.4Å; V868-E880 HydrophobicContact CG2-CB 4.14Å; V868-E880 HydrophobicContact CG2-CG 4.28Å; E880-L882 VanDerWaalsContact CD-N 3.33Å; E880-L882 PolarHBondContact O-N 2.98Å; E880-L882 PolarHBondContact OE1-N 3.25Å; E880-L882 WeakPolarHBondContact OE2-CA 3.37Å; E880-L882 PolarHBondContact OE2-N 3.13Å; E880-W883 WeakPolarHBondContact OE2-CB 3.49Å; E880-W883 PolarHBondContact OE2-N 3.07Å; E880-L884 HydrophobicContact CB-CB 4.28Å; E880-L884 HydrophobicContact CB-CD1 3.94Å; E880-L884 HydrophobicContact CB-CG 3.9Å
881	P	91.5	Very high	92.3	Very high	78 Å²	78	32.5 Å²	32.5	51%	0.506	19%	0.189	S	C	.	.	S	Bend	trans	-67.9	-22	-169.7	-25.6	35.8	0	0	0	117.5	R831 T885	R831-P881 VanDerWaalsContact CD-O 3.28Å; R831-P881 WeakPolarHBondContact CD-O 3.47Å; R831-P881 PolarHBondContact NH1-O 2.53Å; P881-T885 PolarHBondContact O-OG1 3.44Å
882	L	94.4	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-110.2	-69.4	-173.8	179.3	61.7	0	0	0	112.2	Y828 R831 I832 Q835 E880 T885 A886 I898	Y828-L882 HydrophobicContact CD1-CD1 3.83Å; Y828-L882 HydrophobicContact CE1-CD1 4.41Å; R831-L882 HydrophobicContact CB-CB 4.35Å; R831-L882 HydrophobicContact CB-CD1 4.11Å; I832-L882 HydrophobicContact CG1-CD1 3.84Å; I832-L882 HydrophobicContact CG1-CD2 4.27Å; Q835-L882 HydrophobicContact CG-CD2 3.37Å; E880-L882 VanDerWaalsContact CD-N 3.33Å; E880-L882 PolarHBondContact O-N 2.98Å; E880-L882 PolarHBondContact OE1-N 3.25Å; E880-L882 WeakPolarHBondContact OE2-CA 3.37Å; E880-L882 PolarHBondContact OE2-N 3.13Å; L882-T885 CarbonylContact O-C 3.52Å; L882-T885 PolarHBondContact O-N 2.84Å; L882-T885 PolarHBondContact O-OG1 3.29Å; L882-A886 WeakPolarHBondContact O-CA 3.46Å; L882-A886 WeakPolarHBondContact O-CB 3.29Å; L882-A886 PolarHBondContact O-N 3.43Å; L882-I898 HydrophobicContact CD1-CD1 3.75Å; L882-I898 HydrophobicContact CD2-CD1 4.15Å; L882-I898 HydrophobicContact CG-CD1 4.22Å
883	W	94.4	Very high	91.4	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.019	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-69.3	-41.4	-169.4	-58.6	107	0	0	0	112.6	L396 W402 I864 P866 E880 T885 A886 I898 V902 I1116	L396-W883 HydrophobicContact CD1-CB 4.49Å; L396-W883 HydrophobicContact CD1-CD2 3.35Å; L396-W883 HydrophobicContact CD1-CE3 3.88Å; L396-W883 HydrophobicContact CD1-CG 3.64Å; L396-W883 HydrophobicContact CD1-CH2 4.28Å; L396-W883 HydrophobicContact CD1-CZ2 3.82Å; L396-W883 HydrophobicContact CD1-CZ3 4.31Å; W402-W883 AromaticContact CH2-CH2 3.83Å; W402-W883 HydrophobicContact CH2-CH2 3.83Å; W402-W883 AromaticContact CH2-CZ2 3.93Å; W402-W883 HydrophobicContact CH2-CZ2 3.93Å; W402-W883 AromaticContact CZ3-CH2 3.68Å; W402-W883 HydrophobicContact CZ3-CH2 3.68Å; W402-W883 HydrophobicContact CZ3-CZ2 4.22Å; I864-W883 HydrophobicContact CD1-CZ2 3.92Å; I864-W883 HydrophobicContact CG2-CZ2 4.27Å; P866-W883 HydrophobicContact CB-CG 4.42Å; E880-W883 WeakPolarHBondContact OE2-CB 3.49Å; E880-W883 PolarHBondContact OE2-N 3.07Å; W883-T885 PolarHBondContact O-N 3.19Å; W883-A886 PolarHBondContact O-N 2.9Å; W883-I898 HydrophobicContact CZ3-CG1 4.39Å; W883-V902 HydrophobicContact CE3-CG2 4.25Å; W883-V902 HydrophobicContact CH2-CG2 3.53Å; W883-V902 HydrophobicContact CZ3-CG2 3.38Å; W883-I1116 HydrophobicContact CB-CD1 3.72Å
884	L	92.4	Very high	91.3	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-77.4	-5.5	175.9	-61.6	-172.7	0	0	0	113.4	V868 A878 E880 I1116 S1117 I1118	V868-L884 HydrophobicContact CG1-CD1 4.17Å; A878-L884 HydrophobicContact CB-CD1 3.7Å; E880-L884 HydrophobicContact CB-CB 4.28Å; E880-L884 HydrophobicContact CB-CD1 3.94Å; E880-L884 HydrophobicContact CB-CG 3.9Å; L884-I1116 HydrophobicContact CD2-CD1 4.44Å; L884-I1116 HydrophobicContact CD2-CG1 4.49Å; L884-S1117 WeakPolarHBondContact CD2-O 3.44Å; L884-I1118 HydrophobicContact CD2-CB 4.42Å; L884-I1118 HydrophobicContact CD2-CG1 4.15Å; L884-I1118 HydrophobicContact CD2-CG2 4.47Å
885	T	90.1	Very high	91.2	Very high	63 Å²	63	36.9 Å²	36.9	39%	0.387	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-120.1	7.7	173.2	73.2	0	0	0	0	113	Y828 P881 L882 W883 S887	Y828-T885 PolarHBondContact OH-O 3.09Å; P881-T885 PolarHBondContact O-OG1 3.44Å; L882-T885 CarbonylContact O-C 3.52Å; L882-T885 PolarHBondContact O-N 2.84Å; L882-T885 PolarHBondContact O-OG1 3.29Å; W883-T885 PolarHBondContact O-N 3.19Å; T885-S887 PolarHBondContact O-N 3.27Å
886	A	86.8	Confident	91.2	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68	125.5	-178.5	0	0	0	0	0	109.2	L882 W883 I898 K899	L882-A886 WeakPolarHBondContact O-CA 3.46Å; L882-A886 WeakPolarHBondContact O-CB 3.29Å; L882-A886 PolarHBondContact O-N 3.43Å; W883-A886 PolarHBondContact O-N 2.9Å; A886-I898 HydrophobicContact CB-CG2 4.3Å; A886-K899 HydrophobicContact CB-CG 3.98Å; A886-K899 WeakPolarHBondContact O-CE 3.47Å; A886-K899 PolarHBondContact O-NZ 3.45Å
887	S	83.8	Confident	91.1	Very high	25 Å²	25	36.2 Å²	36.2	18%	0.175	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-75.4	160.9	172.2	61.3	0	0	0	0	110.5	F824 T885	F824-S887 VanDerWaalsContact CE2-OG 3.26Å; F824-S887 WeakPolarHBondContact CE2-OG 3.04Å; T885-S887 PolarHBondContact O-N 3.27Å
888	N	89.1	Confident	91.1	Very high	64 Å²	64	33.8 Å²	33.8	34%	0.342	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-69.3	165.3	165.1	-55	-29.6	0	0	0	109.8	K899 K1176	N888-K899 PolarHBondContact OD1-NZ 3.06Å; N888-K1176 WeakPolarHBondContact ND2-CD 3.38Å
889	A	91.5	Very high	91.1	Very high	26 Å²	26	34.3 Å²	34.3	22%	0.215	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-57.7	138.3	174.8	0	0	0	0	0	110.6	S896 C1182 T1184	A889-S896 WeakPolarHBondContact CA-O 3.3Å; A889-S896 PolarHBondContact N-O 3.19Å; A889-C1182 HydrophobicContact CB-CB 3.53Å; A889-T1184 HydrophobicContact CB-CG2 4Å
890	D	88.8	Confident	91.1	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.262	17%	0.17	S	C	.	.			trans	-140.4	126.6	-179.2	-177.4	-48.7	0	0	0	108	N892 R893 S896	D890-N892 PolarHBondContact O-N 2.88Å; D890-N892 WeakPolarHBondContact OD1-CA 3.36Å; D890-N892 WeakPolarHBondContact OD1-CB 3.2Å; D890-N892 PolarHBondContact OD1-N 3.46Å; D890-R893 HydrophobicContact CB-CB 4.07Å; D890-R893 HydrophobicContact CB-CG 3.97Å; D890-R893 PolarHBondContact O-N 3.49Å; D890-R893 IonicContact OD2-CZ 2.88Å; D890-R893 IonicContact OD2-NE 2.95Å; D890-R893 PolarHBondContact OD2-NE 3.5Å; D890-S896 PolarHBondContact N-OG 3.48Å; D890-S896 PolarHBondContact O-OG 3.22Å
891	E	86.4	Confident	91.2	Very high	128 Å²	128	31.4 Å²	31.4	60%	0.598	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.6	-177.8	-57.4	-174.2	179.8	0	0	113.1	P1185	E891-P1185 WeakPolarHBondContact O-CD 3.15Å; E891-P1185 WeakPolarHBondContact O-CG 3.16Å
892	N	83.8	Confident	91.5	Very high	65 Å²	65	27.7 Å²	27.7	35%	0.348	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.3	179.4	-59.2	-70.2	0	0	0	114	H817 H821 D890	H817-N892 PolarHBondContact NE2-OD1 3.07Å; H821-N892 VanDerWaalsContact CA-O 3.27Å; H821-N892 WeakPolarHBondContact CA-O 3.42Å; H821-N892 PolarHBondContact CD2-O 3.36Å; H821-N892 WeakPolarHBondContact NE2-CA 3.48Å; H821-N892 PolarHBondContact NE2-OD1 2.92Å; D890-N892 PolarHBondContact O-N 2.88Å; D890-N892 WeakPolarHBondContact OD1-CA 3.36Å; D890-N892 WeakPolarHBondContact OD1-CB 3.2Å; D890-N892 PolarHBondContact OD1-N 3.46Å
893	R	87.9	Confident	91.6	Very high	106 Å²	106	28.2 Å²	28.2	40%	0.4	15%	0.147	S	C	.	.	S	Bend	trans	-130.1	111.5	-179	-61.6	-178.3	-169.1	-175	1.8	111.2	F824 D890 G895 S896 P1185	F824-R893 HydrophobicContact CB-CB 4.02Å; F824-R893 HydrophobicContact CB-CG 4.42Å; F824-R893 HydrophobicContact CG-CB 4.39Å; D890-R893 HydrophobicContact CB-CB 4.07Å; D890-R893 HydrophobicContact CB-CG 3.97Å; D890-R893 PolarHBondContact O-N 3.49Å; D890-R893 IonicContact OD2-CZ 2.88Å; D890-R893 IonicContact OD2-NE 2.95Å; D890-R893 PolarHBondContact OD2-NE 3.5Å; R893-G895 PolarHBondContact O-N 3.27Å; R893-S896 WeakPolarHBondContact O-CB 3.09Å; R893-S896 PolarHBondContact O-N 3.12Å; R893-S896 PolarHBondContact O-OG 2.76Å; R893-P1185 WeakPolarHBondContact O-CD 3.4Å
894	L	91.8	Very high	91.7	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	128.3	175.5	-170.4	155.3	0	0	0	110.2	A409 H821 F824 W825 S896 P1185	A409-L894 HydrophobicContact CB-CD2 4.03Å; A409-L894 WeakPolarHBondContact O-CD2 3.35Å; H821-L894 VanDerWaalsContact O-CB 3.23Å; H821-L894 WeakPolarHBondContact O-CB 3.45Å; H821-L894 PolarHBondContact O-N 3.04Å; F824-L894 VanDerWaalsContact CD1-O 3.29Å; F824-L894 WeakPolarHBondContact CD1-O 3.45Å; W825-L894 HydrophobicContact CB-CB 4.47Å; W825-L894 HydrophobicContact CB-CD2 3.46Å; W825-L894 VanDerWaalsContact CB-CD2 3.46Å; W825-L894 HydrophobicContact CD2-CD2 3.81Å; W825-L894 HydrophobicContact CE3-CD2 4.19Å; W825-L894 HydrophobicContact CG-CD2 3.5Å; W825-L894 VanDerWaalsContact CG-CD2 3.5Å; L894-S896 VanDerWaalsContact C-N 3.34Å; L894-P1185 HydrophobicContact CB-CB 4.21Å
895	G	92.7	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	12.4	178.3	0	0	0	0	0	115.3	F824 R893 E897 S1186	F824-G895 WeakPolarHBondContact CE1-O 3.46Å; R893-G895 PolarHBondContact O-N 3.27Å; G895-E897 VanDerWaalsContact C-OE2 3.24Å; G895-E897 VanDerWaalsContact CA-OE2 3.26Å; G895-E897 WeakPolarHBondContact CA-OE2 3.43Å; G895-E897 PolarHBondContact N-OE2 3.46Å; G895-E897 PolarHBondContact O-N 3.28Å; G895-S1186 PolarHBondContact N-OG 3.4Å
896	S	93.7	Very high	92.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-75	-10.8	178.9	59	0	0	0	0	113.9	A889 D890 R893 L894 I898 T1184	A889-S896 WeakPolarHBondContact CA-O 3.3Å; A889-S896 PolarHBondContact N-O 3.19Å; D890-S896 PolarHBondContact N-OG 3.48Å; D890-S896 PolarHBondContact O-OG 3.22Å; R893-S896 WeakPolarHBondContact O-CB 3.09Å; R893-S896 PolarHBondContact O-N 3.12Å; R893-S896 PolarHBondContact O-OG 2.76Å; L894-S896 VanDerWaalsContact C-N 3.34Å; S896-I898 PolarHBondContact O-N 2.8Å; S896-T1184 WeakPolarHBondContact OG-CG2 3.31Å
897	E	94.5	Very high	92.6	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-74.1	4.2	173.7	70.6	-85	-155.4	0	0	114.1	F405 G895 K899 A900 M901 C1182 T1184 S1186 N1187	F405-E897 HydrophobicContact CD2-CG 3.96Å; F405-E897 HydrophobicContact CE2-CG 3.74Å; G895-E897 VanDerWaalsContact C-OE2 3.24Å; G895-E897 VanDerWaalsContact CA-OE2 3.26Å; G895-E897 WeakPolarHBondContact CA-OE2 3.43Å; G895-E897 PolarHBondContact N-OE2 3.46Å; G895-E897 PolarHBondContact O-N 3.28Å; E897-K899 VanDerWaalsContact C-N 3.28Å; E897-K899 PolarHBondContact O-N 3.05Å; E897-K899 VanDerWaalsContact O-N 3.11Å; E897-A900 WeakPolarHBondContact O-CB 3.5Å; E897-A900 PolarHBondContact O-N 2.83Å; E897-M901 HydrophobicContact CG-CE 4.39Å; E897-C1182 HydrophobicContact CB-CB 4.35Å; E897-T1184 HydrophobicContact CB-CG2 3.91Å; E897-T1184 PolarHBondContact OE1-OG1 3.22Å; E897-T1184 WeakPolarHBondContact OE2-CB 3.32Å; E897-T1184 WeakPolarHBondContact OE2-CG2 3.23Å; E897-T1184 PolarHBondContact OE2-OG1 3.02Å; E897-S1186 VanDerWaalsContact CD-OG 3.23Å; E897-S1186 WeakPolarHBondContact OE1-CB 3.34Å; E897-S1186 PolarHBondContact OE1-OG 3.39Å; E897-S1186 PolarHBondContact OE2-OG 3.31Å; E897-S1186 VanDerWaalsContact OE2-OG 3.07Å; E897-N1187 HydrophobicContact CG-CB 4.46Å
898	I	95	Very high	93.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-49.8	-40.4	-173.6	-173.1	177.7	0	0	0	114.7	W402 F405 I832 L882 W883 A886 S896 A900 M901	W402-I898 HydrophobicContact CH2-CD1 4.4Å; W402-I898 HydrophobicContact CH2-CG1 4.47Å; W402-I898 HydrophobicContact CZ3-CG1 4.1Å; F405-I898 HydrophobicContact CE1-CB 4.23Å; F405-I898 HydrophobicContact CE1-CG1 4.04Å; F405-I898 HydrophobicContact CZ-CB 3.87Å; F405-I898 HydrophobicContact CZ-CG1 4.2Å; I832-I898 HydrophobicContact CD1-CD1 3.64Å; I832-I898 HydrophobicContact CG1-CD1 3.53Å; L882-I898 HydrophobicContact CD1-CD1 3.75Å; L882-I898 HydrophobicContact CD2-CD1 4.15Å; L882-I898 HydrophobicContact CG-CD1 4.22Å; W883-I898 HydrophobicContact CZ3-CG1 4.39Å; A886-I898 HydrophobicContact CB-CG2 4.3Å; S896-I898 PolarHBondContact O-N 2.8Å; I898-A900 PolarHBondContact O-N 3.23Å; I898-M901 WeakPolarHBondContact O-CB 3.38Å; I898-M901 PolarHBondContact O-N 3.36Å
899	K	94.8	Very high	93.7	Very high	20 Å²	20	22.7 Å²	22.7	9%	0.087	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-57.7	-38.6	-179.6	-70.1	-172.8	176.6	-177.9	0	111.2	A886 N888 E897 M901 V902 E1121 I1174	A886-K899 HydrophobicContact CB-CG 3.98Å; A886-K899 WeakPolarHBondContact O-CE 3.47Å; A886-K899 PolarHBondContact O-NZ 3.45Å; N888-K899 PolarHBondContact OD1-NZ 3.06Å; E897-K899 VanDerWaalsContact C-N 3.28Å; E897-K899 PolarHBondContact O-N 3.05Å; E897-K899 VanDerWaalsContact O-N 3.11Å; K899-M901 PolarHBondContact O-N 2.85Å; K899-M901 VanDerWaalsContact O-N 3.16Å; K899-V902 WeakPolarHBondContact O-CB 3.42Å; K899-V902 PolarHBondContact O-N 3.37Å; K899-V902 VanDerWaalsContact O-N 3.08Å; K899-E1121 IonicContact NZ-OE2 2.98Å; K899-I1174 CarbonylContact C-O 3.56Å; K899-I1174 HydrophobicContact CB-CG2 4.42Å; K899-I1174 VanDerWaalsContact CB-O 3.31Å; K899-I1174 WeakPolarHBondContact CB-O 3.3Å; K899-I1174 VanDerWaalsContact O-O 3.13Å
900	A	95.9	Very high	94	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-71.6	-8.5	-178.3	0	0	0	0	0	113.4	E897 I898 V902 Q903 C1173 I1174 L1191	E897-A900 WeakPolarHBondContact O-CB 3.5Å; E897-A900 PolarHBondContact O-N 2.83Å; I898-A900 PolarHBondContact O-N 3.23Å; A900-V902 VanDerWaalsContact C-N 3.31Å; A900-Q903 VanDerWaalsContact O-CG 3.26Å; A900-Q903 WeakPolarHBondContact O-CG 3.22Å; A900-Q903 PolarHBondContact O-NE2 3.49Å; A900-Q903 VanDerWaalsContact O-NE2 3.13Å; A900-C1173 HydrophobicContact CB-CB 4.44Å; A900-C1173 WeakPolarHBondContact O-CB 3.31Å; A900-I1174 VanDerWaalsContact CA-O 3.28Å; A900-I1174 WeakPolarHBondContact CA-O 3.46Å; A900-I1174 PolarHBondContact N-O 2.86Å; A900-I1174 VanDerWaalsContact N-O 3.07Å; A900-L1191 HydrophobicContact CB-CD1 3.68Å; A900-L1191 HydrophobicContact CB-CD2 3.78Å; A900-L1191 HydrophobicContact CB-CG 4.38Å
901	M	96	Very high	94.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-82.1	-13.8	173.1	-58.3	-58	111.8	0	0	112.5	N401 W402 F405 E897 I898 K899 Q903 L1191 Y1195	N401-M901 HydrophobicContact CB-SD 4.31Å; W402-M901 HydrophobicContact CE3-CB 3.79Å; W402-M901 HydrophobicContact CZ3-CB 4.24Å; F405-M901 HydrophobicContact CB-CG 3.67Å; F405-M901 HydrophobicContact CB-SD 3.55Å; F405-M901 VanDerWaalsContact CB-SD 3.55Å; F405-M901 HydrophobicContact CD1-CG 3.87Å; F405-M901 HydrophobicContact CD2-CG 3.91Å; F405-M901 HydrophobicContact CD2-SD 4.3Å; F405-M901 HydrophobicContact CE1-CG 4.49Å; F405-M901 HydrophobicContact CG-CG 3.53Å; F405-M901 HydrophobicContact CG-SD 4.01Å; E897-M901 HydrophobicContact CG-CE 4.39Å; I898-M901 WeakPolarHBondContact O-CB 3.38Å; I898-M901 PolarHBondContact O-N 3.36Å; K899-M901 PolarHBondContact O-N 2.85Å; K899-M901 VanDerWaalsContact O-N 3.16Å; M901-Q903 PolarHBondContact O-N 3.16Å; M901-L1191 HydrophobicContact CE-CD2 3.69Å; M901-Y1195 HydrophobicContact CE-CD1 4.34Å; M901-Y1195 HydrophobicContact CE-CD2 3.73Å; M901-Y1195 HydrophobicContact CE-CE1 4.29Å; M901-Y1195 HydrophobicContact CE-CE2 3.64Å; M901-Y1195 HydrophobicContact CE-CG 4.08Å; M901-Y1195 HydrophobicContact SD-CD1 4.17Å; M901-Y1195 HydrophobicContact SD-CE1 3.92Å; M901-Y1195 HydrophobicContact SD-CE2 4.31Å; M901-Y1195 HydrophobicContact SD-CG 4.48Å
902	V	97.1	Very high	95	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.065	C	C	.	.			trans	-74.9	108.2	161.5	-176.6	0	0	0	0	107	L396 P397 W883 K899 A900 F910 C1173 I1174	L396-V902 HydrophobicContact CB-CG1 3.99Å; L396-V902 HydrophobicContact CB-CG2 4.21Å; L396-V902 HydrophobicContact CD2-CG1 4.12Å; L396-V902 HydrophobicContact CD2-CG2 4.42Å; P397-V902 HydrophobicContact CG-CG1 4.41Å; P397-V902 CarbonylContact O-C 3Å; P397-V902 WeakPolarHBondContact O-CA 3.26Å; P397-V902 WeakPolarHBondContact O-CG1 3.39Å; W883-V902 HydrophobicContact CE3-CG2 4.25Å; W883-V902 HydrophobicContact CH2-CG2 3.53Å; W883-V902 HydrophobicContact CZ3-CG2 3.38Å; K899-V902 WeakPolarHBondContact O-CB 3.42Å; K899-V902 PolarHBondContact O-N 3.37Å; K899-V902 VanDerWaalsContact O-N 3.08Å; A900-V902 VanDerWaalsContact C-N 3.31Å; V902-F910 HydrophobicContact CG1-CZ 3.89Å; V902-C1173 WeakPolarHBondContact O-CA 3.47Å; V902-I1174 HydrophobicContact CB-CB 4.4Å; V902-I1174 HydrophobicContact CB-CD1 3.94Å; V902-I1174 HydrophobicContact CB-CG1 4.09Å; V902-I1174 HydrophobicContact CG1-CD1 3.54Å; V902-I1174 HydrophobicContact CG1-CG1 3.96Å; V902-I1174 PolarHBondContact O-N 3.35Å; V902-I1174 VanDerWaalsContact O-N 3.11Å
903	Q	97.3	Very high	95.6	Very high	11 Å²	11	10.1 Å²	10.1	5%	0.051	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-127.7	135.5	-171.6	-66.3	-176.1	14.5	0	0	110.1	P397 N399 N401 A900 M901 T1172 C1173	P397-Q903 CarbonylContact C-O 3.56Å; P397-Q903 WeakPolarHBondContact CB-O 3.5Å; P397-Q903 WeakPolarHBondContact CG-O 3.28Å; P397-Q903 PolarHBondContact O-N 3.25Å; N399-Q903 PolarHBondContact ND2-OE1 2.76Å; N399-Q903 PolarHBondContact OD1-OE1 2.98Å; N401-Q903 PolarHBondContact ND2-NE2 2.93Å; N401-Q903 PolarHBondContact ND2-OE1 3.31Å; A900-Q903 VanDerWaalsContact O-CG 3.26Å; A900-Q903 WeakPolarHBondContact O-CG 3.22Å; A900-Q903 PolarHBondContact O-NE2 3.49Å; A900-Q903 VanDerWaalsContact O-NE2 3.13Å; M901-Q903 PolarHBondContact O-N 3.16Å; Q903-T1172 CarbonylContact C-O 3.59Å; Q903-T1172 VanDerWaalsContact CA-O 3.31Å; Q903-T1172 WeakPolarHBondContact CA-O 3.37Å; Q903-C1173 HydrophobicContact CG-CB 4.09Å
904	S	96.5	Very high	95.8	Very high	11 Å²	11	7.3 Å²	7.3	8%	0.077	4%	0.042	C	C	.	.			trans	-68.5	147	176.9	61	0	0	0	0	110.4	Y908 T1172	S904-Y908 WeakPolarHBondContact CB-O 3.34Å; S904-Y908 PolarHBondContact OG-O 2.79Å; S904-T1172 PolarHBondContact N-O 2.86Å; S904-T1172 WeakPolarHBondContact OG-CA 3.45Å; S904-T1172 PolarHBondContact OG-O 3.33Å
905	P	96.5	Very high	95.7	Very high	12 Å²	12	7.4 Å²	7.4	8%	0.078	4%	0.043	C	C	.	.			trans	-66	161.3	169.2	28.9	-33.1	0	0	0	110.6	L238 V849 Y861 G907 Y908	L238-P905 HydrophobicContact CD2-CG 3.79Å; V849-P905 HydrophobicContact CG1-CB 4.06Å; V849-P905 HydrophobicContact CG2-CB 3.93Å; V849-P905 HydrophobicContact CG2-CG 4.08Å; Y861-P905 HydrophobicContact CD1-CB 4.35Å; P905-G907 PolarHBondContact O-N 3.31Å; P905-Y908 HydrophobicContact CG-CD2 3.99Å; P905-Y908 HydrophobicContact CG-CG 4.17Å; P905-Y908 WeakPolarHBondContact O-CB 3.48Å; P905-Y908 PolarHBondContact O-N 3.31Å
906	P	96.5	Very high	95.3	Very high	13 Å²	13	10.8 Å²	10.8	8%	0.084	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	138.3	170.7	-30.8	35.1	0	0	0	112.3	V849 D852 S854 Y855 Y861 Y908	V849-P906 WeakPolarHBondContact CA-O 3.46Å; V849-P906 HydrophobicContact CG1-CB 4.18Å; V849-P906 HydrophobicContact CG1-CG 4.31Å; D852-P906 HydrophobicContact CB-CB 3.88Å; S854-P906 WeakPolarHBondContact OG-CB 3.14Å; Y855-P906 HydrophobicContact CD2-CG 4.31Å; Y861-P906 HydrophobicContact CE1-CG 3.83Å; Y861-P906 WeakPolarHBondContact OH-CG 3.43Å; P906-Y908 VanDerWaalsContact C-N 3.26Å; P906-Y908 PolarHBondContact O-N 3.05Å
907	G	95.9	Very high	94.8	Very high	8 Å²	8	13 Å²	13	8%	0.082	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-8.9	-176.8	0	0	0	0	0	116.2	D852 P905 P1127 K1128	D852-G907 WeakPolarHBondContact OD2-CA 3.35Å; D852-G907 PolarHBondContact OD2-N 3.31Å; D852-G907 VanDerWaalsContact OD2-N 3.1Å; P905-G907 PolarHBondContact O-N 3.31Å; G907-P1127 WeakPolarHBondContact O-CA 3.33Å; G907-K1128 WeakPolarHBondContact O-CG 3.43Å; G907-K1128 PolarHBondContact O-N 2.65Å
908	Y	97.4	Very high	94.7	Very high	10 Å²	10	13.3 Å²	13.3	4%	0.039	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	158.3	179.9	-72.6	-104.1	0	0	0	112.5	L238 N848 V849 S904 P905 P906 I1125 C1126 P1127	L238-Y908 HydrophobicContact CD2-CD1 3.95Å; L238-Y908 HydrophobicContact CD2-CD2 3.95Å; L238-Y908 HydrophobicContact CD2-CE1 3.65Å; L238-Y908 HydrophobicContact CD2-CE2 3.65Å; L238-Y908 HydrophobicContact CD2-CG 4.11Å; L238-Y908 HydrophobicContact CG-CE1 4.38Å; N848-Y908 HydrophobicContact CB-CE2 3.91Å; V849-Y908 HydrophobicContact CG2-CD2 3.87Å; V849-Y908 HydrophobicContact CG2-CE2 3.61Å; S904-Y908 WeakPolarHBondContact CB-O 3.34Å; S904-Y908 PolarHBondContact OG-O 2.79Å; P905-Y908 HydrophobicContact CG-CD2 3.99Å; P905-Y908 HydrophobicContact CG-CG 4.17Å; P905-Y908 WeakPolarHBondContact O-CB 3.48Å; P905-Y908 PolarHBondContact O-N 3.31Å; P906-Y908 VanDerWaalsContact C-N 3.26Å; P906-Y908 PolarHBondContact O-N 3.05Å; Y908-I1125 HydrophobicContact CD1-CD1 4.4Å; Y908-I1125 HydrophobicContact CD1-CG1 3.98Å; Y908-I1125 HydrophobicContact CG-CG1 4.5Å; Y908-C1126 WeakPolarHBondContact CA-O 3.22Å; Y908-C1126 WeakPolarHBondContact CD1-O 3.28Å; Y908-P1127 HydrophobicContact CD1-CG 4.29Å; Y908-P1127 HydrophobicContact CE1-CB 4.45Å; Y908-P1127 HydrophobicContact CE1-CG 3.68Å
909	V	97.8	Very high	94.6	Very high	9 Å²	9	14.4 Å²	14.4	6%	0.055	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.2	174.2	-71.8	0	0	0	0	110.2	V911 I1125 C1126 K1128 M1131 V1170 D1171 T1172	V909-V911 HydrophobicContact CG2-CG2 4.45Å; V909-I1125 WeakPolarHBondContact O-CA 3.46Å; V909-C1126 PolarHBondContact N-O 3.2Å; V909-C1126 PolarHBondContact O-N 2.91Å; V909-K1128 HydrophobicContact CG1-CD 4.5Å; V909-K1128 HydrophobicContact CG1-CG 3.68Å; V909-K1128 HydrophobicContact CG2-CG 4.34Å; V909-M1131 HydrophobicContact CG2-CB 3.68Å; V909-M1131 HydrophobicContact CG2-SD 4.39Å; V909-V1170 HydrophobicContact CB-CG1 4.26Å; V909-V1170 HydrophobicContact CG2-CG1 4.1Å; V909-D1171 CarbonylContact C-O 3.46Å; V909-D1171 WeakPolarHBondContact CA-O 3.41Å; V909-D1171 WeakPolarHBondContact CB-O 3.4Å; V909-T1172 HydrophobicContact CG1-CG2 4.15Å
910	F	98.2	Very high	94.4	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.013	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141	163.8	-55.6	-66.3	0	0	0	110.4	P397 V902 C1115 Y1124 I1125 V1170 D1171 T1172 I1174	P397-F910 HydrophobicContact CG-CE1 3.75Å; P397-F910 HydrophobicContact CG-CZ 3.54Å; V902-F910 HydrophobicContact CG1-CZ 3.89Å; F910-C1115 HydrophobicContact CD1-CB 4.31Å; F910-C1115 HydrophobicContact CE1-CB 4.33Å; F910-C1115 WeakPolarHBondContact CE1-SG 3.31Å; F910-Y1124 CarbonylContact C-O 3.58Å; F910-Y1124 WeakPolarHBondContact CA-O 3.47Å; F910-I1125 HydrophobicContact CD1-CB 3.98Å; F910-I1125 HydrophobicContact CD1-CD1 4.47Å; F910-I1125 HydrophobicContact CD1-CG1 4.4Å; F910-I1125 HydrophobicContact CE1-CB 4.07Å; F910-I1125 HydrophobicContact CE1-CD1 3.93Å; F910-I1125 HydrophobicContact CE1-CG1 4.32Å; F910-V1170 VanDerWaalsContact O-CA 3.3Å; F910-V1170 WeakPolarHBondContact O-CA 3.34Å; F910-D1171 PolarHBondContact N-O 3.33Å; F910-D1171 PolarHBondContact O-N 2.97Å; F910-T1172 WeakPolarHBondContact CE2-O 3.35Å; F910-I1174 HydrophobicContact CD1-CG1 4.38Å; F910-I1174 HydrophobicContact CD2-CG1 3.94Å; F910-I1174 HydrophobicContact CE1-CD1 4.48Å; F910-I1174 HydrophobicContact CE1-CG1 4.38Å; F910-I1174 HydrophobicContact CE2-CG1 3.9Å; F910-I1174 HydrophobicContact CG-CG1 4.15Å; F910-I1174 HydrophobicContact CZ-CD1 4.49Å; F910-I1174 HydrophobicContact CZ-CG1 4.11Å
911	V	98.3	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.8	170.3	-176.8	0	0	0	0	107.3	V909 Y1124 M1131 V1134 A1135 V1168 E1169 V1170	V909-V911 HydrophobicContact CG2-CG2 4.45Å; V911-Y1124 PolarHBondContact N-O 3.48Å; V911-Y1124 PolarHBondContact O-N 3.28Å; V911-M1131 HydrophobicContact CG2-CB 4.09Å; V911-V1134 HydrophobicContact CB-CB 4.27Å; V911-V1134 HydrophobicContact CB-CG1 3.74Å; V911-V1134 HydrophobicContact CG1-CB 4.25Å; V911-V1134 HydrophobicContact CG1-CG1 3.84Å; V911-V1134 HydrophobicContact CG2-CB 4.24Å; V911-V1134 HydrophobicContact CG2-CG1 4.2Å; V911-A1135 HydrophobicContact CG1-CB 3.96Å; V911-V1168 HydrophobicContact CG1-CG1 3.69Å; V911-E1169 WeakPolarHBondContact CA-O 3.08Å; V911-V1170 HydrophobicContact CG1-CG2 4.35Å; V911-V1170 HydrophobicContact CG2-CG1 4.41Å; V911-V1170 HydrophobicContact CG2-CG2 4.23Å
912	G	97.3	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	172.1	177.3	0	0	0	0	0	114.9	L1122 R1123 E1169	G912-L1122 CarbonylContact C-O 3.55Å; G912-L1122 WeakPolarHBondContact CA-O 3.41Å; G912-R1123 PolarHBondContact O-NH1 3.38Å; G912-E1169 PolarHBondContact N-O 3.01Å; G912-E1169 PolarHBondContact O-N 2.94Å
913	A	95.9	Very high	94.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.6	-176.4	0	0	0	0	0	111	E1121 L1122 L1138 F1165 V1168	A913-E1121 WeakPolarHBondContact O-CA 3.37Å; A913-L1122 PolarHBondContact N-O 2.8Å; A913-L1122 VanDerWaalsContact N-O 3.12Å; A913-L1122 PolarHBondContact O-N 3.05Å; A913-L1138 HydrophobicContact CB-CD2 3.52Å; A913-F1165 HydrophobicContact CB-CB 4.19Å; A913-F1165 HydrophobicContact CB-CD1 3.59Å; A913-F1165 HydrophobicContact CB-CD2 3.88Å; A913-F1165 HydrophobicContact CB-CE1 3.78Å; A913-F1165 HydrophobicContact CB-CE2 4.06Å; A913-F1165 HydrophobicContact CB-CG 3.63Å; A913-F1165 HydrophobicContact CB-CZ 4.03Å; A913-V1168 HydrophobicContact CB-CG2 4.36Å
914	D	92.6	Very high	94.1	Very high	48 Å²	48	13.8 Å²	13.8	26%	0.257	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	170.8	-177.1	14.8	0	0	0	108.6	D916 D1120 F1165	D914-D916 PolarHBondContact O-N 2.79Å; D914-D1120 VanDerWaalsContact OD1-CG 3.31Å; D914-F1165 WeakPolarHBondContact O-CD1 3.41Å
915	V	90	Very high	94.1	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.024	8%	0.077	C	C	.	.			trans	-79.4	101.9	178.6	-175.9	0	0	0	0	109.4	S917 Q918 Y1093 D1120 R1146 F1165	V915-S917 PolarHBondContact O-N 3.33Å; V915-S917 VanDerWaalsContact O-N 3.13Å; V915-Q918 HydrophobicContact CB-CB 4.05Å; V915-Q918 HydrophobicContact CB-CG 4.38Å; V915-Q918 HydrophobicContact CG1-CB 3.69Å; V915-Q918 HydrophobicContact CG1-CG 3.9Å; V915-Q918 PolarHBondContact O-N 3.4Å; V915-Y1093 HydrophobicContact CG1-CE1 4.08Å; V915-Y1093 HydrophobicContact CG2-CE1 3.96Å; V915-D1120 HydrophobicContact CB-CB 4.31Å; V915-D1120 WeakPolarHBondContact CG2-O 3.2Å; V915-D1120 PolarHBondContact N-O 3.42Å; V915-R1146 VanDerWaalsContact CG1-NH2 3.32Å; V915-F1165 HydrophobicContact CB-CE1 4.25Å; V915-F1165 HydrophobicContact CG2-CE1 3.61Å; V915-F1165 HydrophobicContact CG2-CZ 4.18Å
916	D	83.3	Confident	94.1	Very high	70 Å²	70	13 Å²	13	37%	0.374	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	121	178.8	-69.3	-61.6	0	0	0	112.6	D914 Q918 R1146 S1166	D914-D916 PolarHBondContact O-N 2.79Å; D916-Q918 PolarHBondContact O-N 3.29Å; D916-Q918 VanDerWaalsContact O-N 3.11Å; D916-R1146 PolarHBondContact O-NH2 2.98Å; D916-S1166 WeakPolarHBondContact OD2-CB 3.05Å; D916-S1166 PolarHBondContact OD2-N 3.22Å; D916-S1166 PolarHBondContact OD2-OG 3.41Å
917	S	84	Confident	94.1	Very high	49 Å²	49	12.4 Å²	12.4	34%	0.343	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	32.9	173	-60	0	0	0	0	114.2	V915 E919 M920 W921	V915-S917 PolarHBondContact O-N 3.33Å; V915-S917 VanDerWaalsContact O-N 3.13Å; S917-E919 PolarHBondContact O-N 2.98Å; S917-M920 PolarHBondContact O-N 3.41Å; S917-W921 PolarHBondContact O-N 3.25Å
918	Q	91.9	Very high	94.1	Very high	8 Å²	8	12 Å²	12	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-44.9	-56.6	-173	-172.5	-174.9	55.4	0	0	113.6	V915 D916 M920 W921 I922 Y1093	V915-Q918 HydrophobicContact CB-CB 4.05Å; V915-Q918 HydrophobicContact CB-CG 4.38Å; V915-Q918 HydrophobicContact CG1-CB 3.69Å; V915-Q918 HydrophobicContact CG1-CG 3.9Å; V915-Q918 PolarHBondContact O-N 3.4Å; D916-Q918 PolarHBondContact O-N 3.29Å; D916-Q918 VanDerWaalsContact O-N 3.11Å; Q918-M920 PolarHBondContact O-N 3.44Å; Q918-W921 PolarHBondContact O-N 3.04Å; Q918-I922 HydrophobicContact CG-CD1 4.06Å; Q918-I922 VanDerWaalsContact O-CG1 3.31Å; Q918-I922 WeakPolarHBondContact O-CG1 3.27Å; Q918-I922 PolarHBondContact O-N 3.37Å; Q918-Y1093 HydrophobicContact CG-CG 4.4Å
919	E	92.6	Very high	93.9	Very high	23 Å²	23	12.9 Å²	12.9	11%	0.107	8%	0.076	C	C	.	.	H	α-helix	trans	-70.4	-33.4	-175.6	-60.6	-163.4	125.6	0	0	112.8	R877 S917 A923 Y978 V1086 Q1087 A1090	R877-E919 IonicContact CZ-OE1 3.4Å; R877-E919 IonicContact NH2-OE1 2.94Å; R877-E919 PolarHBondContact NH2-OE1 2.94Å; R877-E919 IonicContact NH2-OE2 2.78Å; R877-E919 PolarHBondContact NH2-OE2 3.36Å; S917-E919 PolarHBondContact O-N 2.98Å; E919-A923 WeakPolarHBondContact O-CB 3.45Å; E919-A923 PolarHBondContact O-N 2.88Å; E919-Y978 WeakPolarHBondContact CB-OH 3.37Å; E919-Y978 PolarHBondContact OE2-OH 3.31Å; E919-V1086 HydrophobicContact CB-CG1 3.84Å; E919-V1086 HydrophobicContact CG-CG1 4.43Å; E919-Q1087 WeakPolarHBondContact OE1-CA 3.48Å; E919-A1090 HydrophobicContact CG-CB 3.92Å
920	M	91.9	Very high	93.6	Very high	13 Å²	13	14.6 Å²	14.6	6%	0.064	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-42.2	175.6	179.7	164.6	89.3	0	0	110.5	S917 Q918 A923 A924 Y939 T943 L954	S917-M920 PolarHBondContact O-N 3.41Å; Q918-M920 PolarHBondContact O-N 3.44Å; M920-A923 PolarHBondContact O-N 2.94Å; M920-A924 VanDerWaalsContact O-CB 3.29Å; M920-A924 WeakPolarHBondContact O-CB 3.25Å; M920-A924 PolarHBondContact O-N 3.31Å; M920-Y939 HydrophobicContact CG-CE1 4.18Å; M920-Y939 WeakPolarHBondContact CG-OH 3.37Å; M920-Y939 WeakPolarHBondContact O-CE1 3.28Å; M920-T943 HydrophobicContact CE-CG2 3.92Å; M920-T943 HydrophobicContact CG-CG2 3.86Å; M920-L954 HydrophobicContact SD-CD2 3.75Å
921	W	94.8	Very high	93.2	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-64.7	-43.1	174.2	176.2	71.3	0	0	0	112.1	S917 Q918 A923 A924 L925 T943 Y1093 R1146 F1149 V1150 L1158	S917-W921 PolarHBondContact O-N 3.25Å; Q918-W921 PolarHBondContact O-N 3.04Å; W921-A923 PolarHBondContact O-N 3.01Å; W921-A924 WeakPolarHBondContact O-CB 3.3Å; W921-A924 PolarHBondContact O-N 3.19Å; W921-L925 HydrophobicContact CH2-CD2 3.83Å; W921-L925 HydrophobicContact CZ2-CD1 4.4Å; W921-L925 HydrophobicContact CZ2-CD2 3.87Å; W921-L925 HydrophobicContact CZ3-CD2 4.37Å; W921-L925 VanDerWaalsContact O-CB 3.25Å; W921-L925 WeakPolarHBondContact O-CB 3.28Å; W921-L925 PolarHBondContact O-N 3.24Å; W921-T943 HydrophobicContact CB-CG2 4.32Å; W921-Y1093 HydrophobicContact CE3-CE2 4.21Å; W921-Y1093 HydrophobicContact CZ3-CD2 4.1Å; W921-Y1093 AromaticContact CZ3-CE2 3.66Å; W921-Y1093 HydrophobicContact CZ3-CE2 3.66Å; W921-R1146 HydrophobicContact CH2-CB 3.81Å; W921-R1146 HydrophobicContact CH2-CG 3.7Å; W921-R1146 HydrophobicContact CZ2-CB 4.14Å; W921-R1146 HydrophobicContact CZ2-CG 4.14Å; W921-R1146 HydrophobicContact CZ3-CG 3.98Å; W921-F1149 HydrophobicContact CH2-CB 3.75Å; W921-F1149 HydrophobicContact CH2-CG 4.4Å; W921-F1149 HydrophobicContact CZ3-CB 4.12Å; W921-F1149 HydrophobicContact CZ3-CD1 4.1Å; W921-F1149 HydrophobicContact CZ3-CG 4.29Å; W921-V1150 HydrophobicContact CH2-CG2 4.42Å; W921-V1150 HydrophobicContact CZ2-CG2 3.98Å; W921-L1158 HydrophobicContact CZ2-CD1 4.46Å
922	I	96	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-46	176	-70.6	168	0	0	0	110.9	Q918 L925 I926 F1059 A1090 Y1093 F1149	Q918-I922 HydrophobicContact CG-CD1 4.06Å; Q918-I922 VanDerWaalsContact O-CG1 3.31Å; Q918-I922 WeakPolarHBondContact O-CG1 3.27Å; Q918-I922 PolarHBondContact O-N 3.37Å; I922-L925 PolarHBondContact O-N 3.18Å; I922-I926 HydrophobicContact CG2-CD1 3.91Å; I922-I926 VanDerWaalsContact O-CG1 3.32Å; I922-I926 WeakPolarHBondContact O-CG1 3.45Å; I922-I926 PolarHBondContact O-N 3.09Å; I922-F1059 HydrophobicContact CG2-CE2 3.86Å; I922-F1059 HydrophobicContact CG2-CZ 4.22Å; I922-A1090 HydrophobicContact CD1-CB 4.12Å; I922-Y1093 HydrophobicContact CD1-CD2 4.45Å; I922-F1149 HydrophobicContact CD1-CE1 4.05Å; I922-F1149 HydrophobicContact CG1-CD1 4.27Å; I922-F1149 HydrophobicContact CG1-CE1 4.14Å
923	A	94.7	Very high	92.6	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-42.7	177.9	0	0	0	0	0	111.8	E919 M920 W921 I926 G927 Y939 V1042 V1086	E919-A923 WeakPolarHBondContact O-CB 3.45Å; E919-A923 PolarHBondContact O-N 2.88Å; M920-A923 PolarHBondContact O-N 2.94Å; W921-A923 PolarHBondContact O-N 3.01Å; A923-I926 PolarHBondContact O-N 2.78Å; A923-G927 PolarHBondContact O-N 3.12Å; A923-Y939 HydrophobicContact CB-CE1 4.12Å; A923-V1042 HydrophobicContact CB-CG1 4.01Å; A923-V1086 HydrophobicContact CB-CG2 4.22Å
924	A	94.9	Very high	92.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-49.5	173.6	0	0	0	0	0	111.6	M920 W921 I926 G927 D928 Y939 T943	M920-A924 VanDerWaalsContact O-CB 3.29Å; M920-A924 WeakPolarHBondContact O-CB 3.25Å; M920-A924 PolarHBondContact O-N 3.31Å; W921-A924 WeakPolarHBondContact O-CB 3.3Å; W921-A924 PolarHBondContact O-N 3.19Å; A924-I926 VanDerWaalsContact C-N 3.34Å; A924-I926 PolarHBondContact O-N 2.98Å; A924-G927 PolarHBondContact O-N 3.41Å; A924-G927 VanDerWaalsContact O-N 3.1Å; A924-D928 WeakPolarHBondContact O-CB 3.19Å; A924-D928 VanDerWaalsContact O-CG 3.24Å; A924-D928 PolarHBondContact O-N 3.25Å; A924-Y939 HydrophobicContact CB-CD1 3.72Å; A924-Y939 HydrophobicContact CB-CE1 3.85Å; A924-T943 HydrophobicContact CB-CG2 4.26Å
925	L	96.6	Very high	92.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-60.7	-43.1	-178.8	-171.7	71.5	0	0	0	111.8	W921 I922 G927 D928 A929 Q934 F1059 F1149 V1150 L1153 M1155	W921-L925 HydrophobicContact CH2-CD2 3.83Å; W921-L925 HydrophobicContact CZ2-CD1 4.4Å; W921-L925 HydrophobicContact CZ2-CD2 3.87Å; W921-L925 HydrophobicContact CZ3-CD2 4.37Å; W921-L925 VanDerWaalsContact O-CB 3.25Å; W921-L925 WeakPolarHBondContact O-CB 3.28Å; W921-L925 PolarHBondContact O-N 3.24Å; I922-L925 PolarHBondContact O-N 3.18Å; L925-G927 VanDerWaalsContact C-N 3.34Å; L925-D928 PolarHBondContact O-N 2.96Å; L925-A929 WeakPolarHBondContact O-CB 3.31Å; L925-A929 PolarHBondContact O-N 3.27Å; L925-Q934 HydrophobicContact CD1-CG 3.73Å; L925-F1059 HydrophobicContact CD2-CE1 4.23Å; L925-F1059 HydrophobicContact CD2-CZ 4.44Å; L925-F1149 HydrophobicContact CD2-CB 4.03Å; L925-V1150 HydrophobicContact CD1-CG2 3.88Å; L925-V1150 HydrophobicContact CD2-CG2 4.17Å; L925-L1153 HydrophobicContact CB-CD1 4.35Å; L925-L1153 HydrophobicContact CD2-CD1 3.69Å; L925-L1153 HydrophobicContact CG-CD1 3.57Å; L925-M1155 HydrophobicContact CD1-CE 3.43Å; L925-M1155 VanDerWaalsContact CD1-CE 3.43Å; L925-M1155 HydrophobicContact CD1-SD 4.34Å; L925-M1155 HydrophobicContact CG-CE 3.98Å
926	I	96.2	Very high	92.8	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-40.5	175.3	-68.8	168.2	0	0	0	111	I922 A923 A924 Q1045 L1046 I1049 P1058 F1059 V1085 L1153	I922-I926 HydrophobicContact CG2-CD1 3.91Å; I922-I926 VanDerWaalsContact O-CG1 3.32Å; I922-I926 WeakPolarHBondContact O-CG1 3.45Å; I922-I926 PolarHBondContact O-N 3.09Å; A923-I926 PolarHBondContact O-N 2.78Å; A924-I926 VanDerWaalsContact C-N 3.34Å; A924-I926 PolarHBondContact O-N 2.98Å; I926-Q1045 HydrophobicContact CG2-CB 3.62Å; I926-Q1045 WeakPolarHBondContact O-CG 3.25Å; I926-L1046 HydrophobicContact CD1-CD2 4Å; I926-L1046 HydrophobicContact CG2-CD2 4.07Å; I926-I1049 HydrophobicContact CG2-CD1 4.19Å; I926-P1058 HydrophobicContact CD1-CG 4.14Å; I926-P1058 HydrophobicContact CG1-CG 4.31Å; I926-F1059 HydrophobicContact CD1-CE2 4.22Å; I926-F1059 HydrophobicContact CD1-CZ 4.31Å; I926-F1059 HydrophobicContact CG1-CE2 4.49Å; I926-F1059 HydrophobicContact CG1-CZ 4.08Å; I926-V1085 HydrophobicContact CD1-CG1 4.33Å; I926-L1153 HydrophobicContact CG1-CD1 4.22Å
927	G	94.9	Very high	93.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-47.4	175.9	0	0	0	0	0	112.9	A923 A924 L925 A929 G930	A923-G927 PolarHBondContact O-N 3.12Å; A924-G927 PolarHBondContact O-N 3.41Å; A924-G927 VanDerWaalsContact O-N 3.1Å; L925-G927 VanDerWaalsContact C-N 3.34Å; G927-A929 VanDerWaalsContact C-N 3.31Å; G927-A929 PolarHBondContact O-N 3Å; G927-G930 PolarHBondContact O-N 2.97Å; G927-G930 VanDerWaalsContact O-N 3.13Å
928	D	95.9	Very high	93.7	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-34	179.8	-73.8	-16.4	0	0	0	112.5	A924 L925 G930 V931 G932 F933 G935 S936 T937 G940	A924-D928 WeakPolarHBondContact O-CB 3.19Å; A924-D928 VanDerWaalsContact O-CG 3.24Å; A924-D928 PolarHBondContact O-N 3.25Å; L925-D928 PolarHBondContact O-N 2.96Å; D928-G930 PolarHBondContact O-N 3.12Å; D928-V931 PolarHBondContact O-N 2.83Å; D928-G932 PolarHBondContact O-N 3.12Å; D928-F933 WeakPolarHBondContact CB-O 3.48Å; D928-G935 WeakPolarHBondContact OD2-CA 3.43Å; D928-G935 PolarHBondContact OD2-N 2.9Å; D928-S936 WeakPolarHBondContact CA-OG 3.4Å; D928-S936 PolarHBondContact O-OG 3.1Å; D928-S936 PolarHBondContact OD1-OG 3.39Å; D928-T937 VanDerWaalsContact OD1-CB 3.24Å; D928-T937 WeakPolarHBondContact OD1-CB 3.33Å; D928-T937 VanDerWaalsContact OD1-CG2 3.31Å; D928-T937 WeakPolarHBondContact OD1-CG2 3.24Å; D928-T937 PolarHBondContact OD1-N 3.39Å; D928-T937 PolarHBondContact OD1-OG1 3.45Å; D928-G940 WeakPolarHBondContact OD2-CA 3.27Å
929	A	94.8	Very high	93.7	Very high	28 Å²	28	14.2 Å²	14.2	23%	0.231	10%	0.102	C	C	.	.	H	α-helix	trans	-59	-27.5	174.3	0	0	0	0	0	112.7	L925 G927 V931 L1153 M1155	L925-A929 WeakPolarHBondContact O-CB 3.31Å; L925-A929 PolarHBondContact O-N 3.27Å; G927-A929 VanDerWaalsContact C-N 3.31Å; G927-A929 PolarHBondContact O-N 3Å; A929-V931 PolarHBondContact O-N 3.03Å; A929-L1153 HydrophobicContact CB-CB 3.89Å; A929-L1153 HydrophobicContact CB-CD1 4.21Å; A929-L1153 HydrophobicContact CB-CD2 4.24Å; A929-L1153 HydrophobicContact CB-CG 4.34Å; A929-M1155 HydrophobicContact CB-CE 3.99Å
930	G	90.4	Very high	93.8	Very high	45 Å²	45	13.1 Å²	13.1	46%	0.464	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	174.2	0	0	0	0	0	114.3	G927 D928	G927-G930 PolarHBondContact O-N 2.97Å; G927-G930 VanDerWaalsContact O-N 3.13Å; D928-G930 PolarHBondContact O-N 3.12Å
931	V	90.6	Very high	93.9	Very high	72 Å²	72	13 Å²	13	44%	0.436	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-36.4	176	-173.5	0	0	0	0	111	V65 D928 A929 F933 S936 T937	V65-V931 HydrophobicContact CG2-CG1 3.95Å; D928-V931 PolarHBondContact O-N 2.83Å; A929-V931 PolarHBondContact O-N 3.03Å; V931-F933 HydrophobicContact CG1-CE1 4.2Å; V931-S936 WeakPolarHBondContact CB-OG 3.26Å; V931-T937 HydrophobicContact CG2-CG2 4.16Å
932	G	90.6	Very high	93.7	Very high	45 Å²	45	13.1 Å²	13.1	46%	0.464	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	122.4	-1.4	169.1	0	0	0	0	0	116.1	D928	D928-G932 PolarHBondContact O-N 3.12Å
933	F	92.6	Very high	93.5	Very high	32 Å²	32	14.3 Å²	14.3	14%	0.14	10%	0.104	C	C	.	.	S	Bend	trans	-149.3	154.9	175.1	67	-88.6	0	0	0	112	E36 V37 A61 V65 D928 V931 S936	E36-F933 HydrophobicContact CB-CD2 4.17Å; E36-F933 HydrophobicContact CB-CE1 4.39Å; E36-F933 HydrophobicContact CB-CE2 3.78Å; E36-F933 HydrophobicContact CB-CZ 3.89Å; E36-F933 HydrophobicContact CG-CD1 4.49Å; E36-F933 HydrophobicContact CG-CD2 4.47Å; E36-F933 HydrophobicContact CG-CE1 4.47Å; E36-F933 HydrophobicContact CG-CE2 4.46Å; E36-F933 HydrophobicContact CG-CG 4.49Å; E36-F933 HydrophobicContact CG-CZ 4.45Å; E36-F933 WeakPolarHBondContact OE2-CD2 3.45Å; V37-F933 HydrophobicContact CB-CE2 4.47Å; V37-F933 HydrophobicContact CG1-CE2 3.77Å; V37-F933 HydrophobicContact CG1-CZ 4.12Å; V37-F933 HydrophobicContact CG2-CE2 3.96Å; A61-F933 HydrophobicContact CB-CZ 4.44Å; V65-F933 HydrophobicContact CG1-CZ 4.43Å; D928-F933 WeakPolarHBondContact CB-O 3.48Å; V931-F933 HydrophobicContact CG1-CE1 4.2Å; F933-S936 VanDerWaalsContact CE2-CB 3.46Å; F933-S936 VanDerWaalsContact CZ-CB 3.4Å; F933-S936 WeakPolarHBondContact O-CB 3.26Å; F933-S936 PolarHBondContact O-N 3.31Å; F933-S936 PolarHBondContact O-OG 2.67Å
934	Q	94.4	Very high	93.3	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.028	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	137.8	-176.5	-64.4	-167.7	62.7	0	0	112.5	N35 L925 S936 L944 M1155 D1157 P1159	N35-Q934 PolarHBondContact ND2-O 3.07Å; L925-Q934 HydrophobicContact CD1-CG 3.73Å; Q934-S936 PolarHBondContact O-N 3.41Å; Q934-L944 HydrophobicContact CB-CD1 4.02Å; Q934-M1155 HydrophobicContact CB-SD 4.49Å; Q934-M1155 HydrophobicContact CG-CE 4.31Å; Q934-M1155 HydrophobicContact CG-SD 3.5Å; Q934-M1155 WeakPolarHBondContact CG-SD 3.29Å; Q934-D1157 PolarHBondContact NE2-O 3.13Å; Q934-P1159 HydrophobicContact CB-CG 4.12Å; Q934-P1159 VanDerWaalsContact OE1-CD 3.3Å
935	G	93.8	Very high	93	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	8.9	-175	0	0	0	0	0	114	F69 D928 T937	F69-G935 VanDerWaalsContact CZ-O 3.31Å; F69-G935 WeakPolarHBondContact CZ-O 3.45Å; D928-G935 WeakPolarHBondContact OD2-CA 3.43Å; D928-G935 PolarHBondContact OD2-N 2.9Å; G935-T937 VanDerWaalsContact C-N 3.26Å; G935-T937 PolarHBondContact O-N 2.9Å
936	S	93.3	Very high	92.5	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.021	13%	0.127	C	C	.	.			trans	-67.4	-24.5	178	54.2	0	0	0	0	113.4	V65 D928 V931 F933 Q934	V65-S936 WeakPolarHBondContact CG1-O 3.43Å; D928-S936 WeakPolarHBondContact CA-OG 3.4Å; D928-S936 PolarHBondContact O-OG 3.1Å; D928-S936 PolarHBondContact OD1-OG 3.39Å; V931-S936 WeakPolarHBondContact CB-OG 3.26Å; F933-S936 VanDerWaalsContact CE2-CB 3.46Å; F933-S936 VanDerWaalsContact CZ-CB 3.4Å; F933-S936 WeakPolarHBondContact O-CB 3.26Å; F933-S936 PolarHBondContact O-N 3.31Å; F933-S936 PolarHBondContact O-OG 2.67Å; Q934-S936 PolarHBondContact O-N 3.41Å
937	T	93.8	Very high	91.8	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.037	14%	0.141	C	C	.	.	S	Bend	trans	-98.8	154.2	175	70.4	0	0	0	0	111.5	D928 V931 G935 Y939 G940 W941 A1041	D928-T937 VanDerWaalsContact OD1-CB 3.24Å; D928-T937 WeakPolarHBondContact OD1-CB 3.33Å; D928-T937 VanDerWaalsContact OD1-CG2 3.31Å; D928-T937 WeakPolarHBondContact OD1-CG2 3.24Å; D928-T937 PolarHBondContact OD1-N 3.39Å; D928-T937 PolarHBondContact OD1-OG1 3.45Å; V931-T937 HydrophobicContact CG2-CG2 4.16Å; G935-T937 VanDerWaalsContact C-N 3.26Å; G935-T937 PolarHBondContact O-N 2.9Å; T937-Y939 VanDerWaalsContact C-N 3.27Å; T937-Y939 PolarHBondContact O-N 2.73Å; T937-G940 PolarHBondContact O-N 3.23Å; T937-G940 VanDerWaalsContact O-N 3.1Å; T937-G940 PolarHBondContact OG1-N 3.05Å; T937-W941 PolarHBondContact O-N 2.88Å; T937-A1041 HydrophobicContact CG2-CB 3.57Å
938	P	92.6	Very high	91.3	Very high	10 Å²	10	26.8 Å²	26.8	7%	0.065	17%	0.168	C	C	.	.	H	α-helix	trans	-54.7	-42.6	174.8	-26.6	34.1	0	0	0	113	E68 L72 I74 M942	E68-P938 HydrophobicContact CG-CG 3.72Å; L72-P938 HydrophobicContact CD1-CB 3.44Å; L72-P938 VanDerWaalsContact CD1-CB 3.44Å; L72-P938 HydrophobicContact CD1-CG 3.46Å; L72-P938 VanDerWaalsContact CD1-CG 3.46Å; I74-P938 HydrophobicContact CD1-CB 3.97Å; P938-M942 HydrophobicContact CB-CE 4.16Å; P938-M942 WeakPolarHBondContact O-CB 3.31Å; P938-M942 WeakPolarHBondContact O-CE 3.18Å; P938-M942 VanDerWaalsContact O-CG 3.25Å; P938-M942 WeakPolarHBondContact O-CG 3.22Å; P938-M942 PolarHBondContact O-N 3.19Å
939	Y	92.8	Very high	90.6	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-43	176.2	-174.7	-95.4	0	0	0	112.5	M920 A923 A924 T937 T943 L954 L977 S1038 E1039 V1042	M920-Y939 HydrophobicContact CG-CE1 4.18Å; M920-Y939 WeakPolarHBondContact CG-OH 3.37Å; M920-Y939 WeakPolarHBondContact O-CE1 3.28Å; A923-Y939 HydrophobicContact CB-CE1 4.12Å; A924-Y939 HydrophobicContact CB-CD1 3.72Å; A924-Y939 HydrophobicContact CB-CE1 3.85Å; T937-Y939 VanDerWaalsContact C-N 3.27Å; T937-Y939 PolarHBondContact O-N 2.73Å; Y939-T943 WeakPolarHBondContact O-CB 3.45Å; Y939-T943 PolarHBondContact O-N 2.98Å; Y939-T943 PolarHBondContact O-OG1 3.25Å; Y939-L954 HydrophobicContact CD2-CD1 4.15Å; Y939-L954 HydrophobicContact CD2-CD2 4.02Å; Y939-L954 HydrophobicContact CE2-CD1 4.39Å; Y939-L954 HydrophobicContact CE2-CD2 3.47Å; Y939-L954 VanDerWaalsContact CE2-CD2 3.47Å; Y939-L977 HydrophobicContact CE2-CD1 4.34Å; Y939-L977 HydrophobicContact CE2-CD2 4.32Å; Y939-L977 VanDerWaalsContact OH-CD1 3.27Å; Y939-L977 WeakPolarHBondContact OH-CD1 3.39Å; Y939-S1038 WeakPolarHBondContact CB-O 3.46Å; Y939-S1038 PolarHBondContact N-O 2.85Å; Y939-E1039 HydrophobicContact CD2-CG 3.39Å; Y939-E1039 HydrophobicContact CE2-CG 3.96Å; Y939-E1039 HydrophobicContact CG-CG 3.99Å; Y939-V1042 HydrophobicContact CD1-CG2 3.73Å; Y939-V1042 HydrophobicContact CE1-CG2 4.32Å; Y939-V1042 HydrophobicContact CG-CG2 4.17Å
940	G	94	Very high	89.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-48.4	175.5	0	0	0	0	0	112.5	D928 T937 T943 L944	D928-G940 WeakPolarHBondContact OD2-CA 3.27Å; T937-G940 PolarHBondContact O-N 3.23Å; T937-G940 VanDerWaalsContact O-N 3.1Å; T937-G940 PolarHBondContact OG1-N 3.05Å; G940-T943 WeakPolarHBondContact O-CB 3.27Å; G940-T943 PolarHBondContact O-N 3.42Å; G940-L944 WeakPolarHBondContact O-CB 3.29Å; G940-L944 WeakPolarHBondContact O-CG 3.15Å; G940-L944 PolarHBondContact O-N 2.88Å
941	W	93.7	Very high	89.5	Confident	9 Å²	9	37.4 Å²	37.4	3%	0.034	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-45.8	178.7	-165.1	99.7	0	0	0	112.5	V37 F69 I74 I76 T937 T943 L944 Q945 G946	V37-W941 PolarHBondContact O-NE1 3.33Å; F69-W941 HydrophobicContact CE1-CB 3.5Å; F69-W941 AromaticContact CE1-CG 3.78Å; F69-W941 HydrophobicContact CE1-CG 3.78Å; F69-W941 HydrophobicContact CZ-CB 3.83Å; F69-W941 HydrophobicContact CZ-CG 4.19Å; I74-W941 HydrophobicContact CG2-CD2 3.81Å; I74-W941 HydrophobicContact CG2-CE3 3.6Å; I74-W941 HydrophobicContact CG2-CH2 3.8Å; I74-W941 HydrophobicContact CG2-CZ2 3.97Å; I74-W941 HydrophobicContact CG2-CZ3 3.63Å; I76-W941 HydrophobicContact CG2-CZ2 4.24Å; T937-W941 PolarHBondContact O-N 2.88Å; W941-T943 PolarHBondContact O-N 3.31Å; W941-L944 PolarHBondContact O-N 3.41Å; W941-Q945 HydrophobicContact CD2-CB 4.21Å; W941-Q945 HydrophobicContact CE3-CB 4.41Å; W941-Q945 HydrophobicContact CZ2-CG 4.35Å; W941-Q945 WeakPolarHBondContact O-CB 3.15Å; W941-Q945 PolarHBondContact O-N 3.29Å; W941-G946 PolarHBondContact O-N 3.13Å
942	M	91.5	Very high	89.2	Confident	8 Å²	8	36 Å²	36	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-29.8	176.6	-73.7	-176.9	-72.7	0	0	112.3	I74 P938 G946 L954 K957	I74-M942 HydrophobicContact CD1-CG 4.02Å; I74-M942 HydrophobicContact CD1-SD 4.34Å; P938-M942 HydrophobicContact CB-CE 4.16Å; P938-M942 WeakPolarHBondContact O-CB 3.31Å; P938-M942 WeakPolarHBondContact O-CE 3.18Å; P938-M942 VanDerWaalsContact O-CG 3.25Å; P938-M942 WeakPolarHBondContact O-CG 3.22Å; P938-M942 PolarHBondContact O-N 3.19Å; M942-G946 VanDerWaalsContact O-CA 3.29Å; M942-G946 WeakPolarHBondContact O-CA 3.48Å; M942-G946 PolarHBondContact O-N 2.81Å; M942-L954 HydrophobicContact CE-CD1 4.05Å; M942-L954 HydrophobicContact SD-CD1 4.36Å; M942-K957 HydrophobicContact SD-CD 3.88Å
943	T	91.6	Very high	89.1	Confident	24 Å²	24	34.4 Å²	34.4	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-77.2	-42.7	177.7	-61.1	0	0	0	0	112.3	M920 W921 A924 Y939 G940 W941	M920-T943 HydrophobicContact CE-CG2 3.92Å; M920-T943 HydrophobicContact CG-CG2 3.86Å; W921-T943 HydrophobicContact CB-CG2 4.32Å; A924-T943 HydrophobicContact CB-CG2 4.26Å; Y939-T943 WeakPolarHBondContact O-CB 3.45Å; Y939-T943 PolarHBondContact O-N 2.98Å; Y939-T943 PolarHBondContact O-OG1 3.25Å; G940-T943 WeakPolarHBondContact O-CB 3.27Å; G940-T943 PolarHBondContact O-N 3.42Å; W941-T943 PolarHBondContact O-N 3.31Å
944	L	91.4	Very high	88.8	Confident	10 Å²	10	33 Å²	33	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-82.5	-31.8	-174.7	-67.9	171.3	0	0	0	113.4	I39 Q934 G940 W941 P1159 S1161 V1162	I39-L944 HydrophobicContact CD1-CB 4.15Å; I39-L944 HydrophobicContact CD1-CD1 3.98Å; Q934-L944 HydrophobicContact CB-CD1 4.02Å; G940-L944 WeakPolarHBondContact O-CB 3.29Å; G940-L944 WeakPolarHBondContact O-CG 3.15Å; G940-L944 PolarHBondContact O-N 2.88Å; W941-L944 PolarHBondContact O-N 3.41Å; L944-P1159 HydrophobicContact CD1-CG 4.09Å; L944-P1159 HydrophobicContact CD2-CB 4.48Å; L944-P1159 HydrophobicContact CD2-CG 4.21Å; L944-S1161 PolarHBondContact O-OG 3.36Å; L944-V1162 HydrophobicContact CD2-CB 4.45Å; L944-V1162 HydrophobicContact CD2-CG1 3.41Å; L944-V1162 VanDerWaalsContact CD2-CG1 3.41Å; L944-V1162 HydrophobicContact CD2-CG2 4.2Å
945	Q	88.4	Confident	88.6	Confident	45 Å²	45	33.1 Å²	33.1	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-133.5	-8.2	-165.1	-158.6	60.4	38.1	0	0	113.6	I39 R80 W941	I39-Q945 HydrophobicContact CG1-CB 4.33Å; I39-Q945 HydrophobicContact CG1-CG 4.44Å; R80-Q945 VanDerWaalsContact NH1-CG 3.33Å; W941-Q945 HydrophobicContact CD2-CB 4.21Å; W941-Q945 HydrophobicContact CE3-CB 4.41Å; W941-Q945 HydrophobicContact CZ2-CG 4.35Å; W941-Q945 WeakPolarHBondContact O-CB 3.15Å; W941-Q945 PolarHBondContact O-N 3.29Å
946	G	85.6	Confident	88.4	Confident	24 Å²	24	34.7 Å²	34.7	25%	0.247	19%	0.192	C	C	.	.			trans	-66.8	139.7	176.4	0	0	0	0	0	112.1	W941 M942	W941-G946 PolarHBondContact O-N 3.13Å; M942-G946 VanDerWaalsContact O-CA 3.29Å; M942-G946 WeakPolarHBondContact O-CA 3.48Å; M942-G946 PolarHBondContact O-N 2.81Å
947	N	82.2	Confident	88.1	Confident	61 Å²	61	37.5 Å²	37.5	33%	0.326	20%	0.204	S	C	.	.			trans	-121.5	140.4	-179	-175.4	-3.8	0	0	0	110.4	L949 D950 G951 T952 D953	N947-L949 PolarHBondContact OD1-N 3.46Å; N947-D950 HydrophobicContact CB-CB 4.28Å; N947-D950 WeakPolarHBondContact CB-OD2 3.47Å; N947-D950 PolarHBondContact ND2-OD2 2.92Å; N947-G951 PolarHBondContact O-N 2.7Å; N947-T952 PolarHBondContact N-OG1 2.99Å; N947-T952 PolarHBondContact O-N 2.94Å; N947-T952 PolarHBondContact O-OG1 2.97Å; N947-D953 PolarHBondContact O-N 3.08Å
948	K	83.6	Confident	87.9	Confident	133 Å²	133	37.6 Å²	37.6	58%	0.578	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-39.9	174.5	-175	-173.4	171.9	-162.3	0	112.1	G951 D953	K948-G951 PolarHBondContact O-N 3.35Å; K948-D953 VanDerWaalsContact CA-OD1 3.29Å; K948-D953 WeakPolarHBondContact CA-OD1 3.2Å
949	L	81.8	Confident	87.8	Confident	157 Å²	157	37.5 Å²	37.5	82%	0.822	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-41.7	-178.3	-67.2	172.7	0	0	0	111.5	N947 G951	N947-L949 PolarHBondContact OD1-N 3.46Å; L949-G951 PolarHBondContact O-N 3.4Å
950	D	79	Confident	87.5	Confident	114 Å²	114	46.2 Å²	46.2	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4	-178.4	-51.2	-37.7	0	0	0	112.4	N947 T952	N947-D950 HydrophobicContact CB-CB 4.28Å; N947-D950 WeakPolarHBondContact CB-OD2 3.47Å; N947-D950 PolarHBondContact ND2-OD2 2.92Å; D950-T952 HydrophobicContact CB-CG2 4.02Å; D950-T952 PolarHBondContact O-N 2.99Å
951	G	82.2	Confident	87	Confident	26 Å²	26	50.9 Å²	50.9	27%	0.268	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	19.5	-175.3	0	0	0	0	0	114.1	N947 K948 L949	N947-G951 PolarHBondContact O-N 2.7Å; K948-G951 PolarHBondContact O-N 3.35Å; L949-G951 PolarHBondContact O-N 3.4Å
952	T	85.2	Confident	86.6	Confident	42 Å²	42	50.6 Å²	50.6	26%	0.258	26%	0.263	S	S	.	.			trans	-92.2	-13.4	-177.6	53	0	0	0	0	112.8	N947 D950	N947-T952 PolarHBondContact N-OG1 2.99Å; N947-T952 PolarHBondContact O-N 2.94Å; N947-T952 PolarHBondContact O-OG1 2.97Å; D950-T952 HydrophobicContact CB-CG2 4.02Å; D950-T952 PolarHBondContact O-N 2.99Å
953	D	87.7	Confident	86.1	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.059	29%	0.289	C	S	.	.	S	Bend	trans	-69.6	149.3	173.4	83.4	-72.7	0	0	0	112.3	N947 K948 H955 T956 K957 R966	N947-D953 PolarHBondContact O-N 3.08Å; K948-D953 VanDerWaalsContact CA-OD1 3.29Å; K948-D953 WeakPolarHBondContact CA-OD1 3.2Å; D953-H955 VanDerWaalsContact C-N 3.27Å; D953-H955 PolarHBondContact O-N 2.9Å; D953-H955 WeakPolarHBondContact OD2-CB 3.35Å; D953-H955 IonicContact OD2-CD2 2.58Å; D953-H955 PolarHBondContact OD2-N 3.42Å; D953-T956 PolarHBondContact O-N 3.31Å; D953-T956 VanDerWaalsContact O-N 3.14Å; D953-T956 WeakPolarHBondContact OD1-CB 3.16Å; D953-T956 PolarHBondContact OD1-OG1 3.4Å; D953-T956 PolarHBondContact OD2-N 2.82Å; D953-K957 PolarHBondContact O-N 3.29Å; D953-R966 IonicContact OD1-NE 2.73Å; D953-R966 IonicContact OD2-CZ 2.99Å; D953-R966 IonicContact OD2-NE 3.21Å; D953-R966 PolarHBondContact OD2-NE 2.8Å; D953-R966 IonicContact OD2-NH2 3.42Å; D953-R966 PolarHBondContact OD2-NH2 2.98Å
954	L	87	Confident	85.6	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-52.1	-42.8	-176.4	-179.3	71.4	0	0	0	112.9	M920 Y939 M942 I958	M920-L954 HydrophobicContact SD-CD2 3.75Å; Y939-L954 HydrophobicContact CD2-CD1 4.15Å; Y939-L954 HydrophobicContact CD2-CD2 4.02Å; Y939-L954 HydrophobicContact CE2-CD1 4.39Å; Y939-L954 HydrophobicContact CE2-CD2 3.47Å; Y939-L954 VanDerWaalsContact CE2-CD2 3.47Å; M942-L954 HydrophobicContact CE-CD1 4.05Å; M942-L954 HydrophobicContact SD-CD1 4.36Å; L954-I958 HydrophobicContact CD1-CG1 4.36Å; L954-I958 VanDerWaalsContact O-CG1 3.29Å; L954-I958 WeakPolarHBondContact O-CG1 3.49Å; L954-I958 PolarHBondContact O-N 2.91Å; L954-I958 VanDerWaalsContact O-N 3.08Å
955	H	90.3	Very high	85.2	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.046	31%	0.314	C	S	.	.	H	α-helix	trans	-71.1	-38.9	-176.5	-58.2	-58.9	0	0	0	112	D953 A959 R966 S969 N973	D953-H955 VanDerWaalsContact C-N 3.27Å; D953-H955 PolarHBondContact O-N 2.9Å; D953-H955 WeakPolarHBondContact OD2-CB 3.35Å; D953-H955 IonicContact OD2-CD2 2.58Å; D953-H955 PolarHBondContact OD2-N 3.42Å; H955-A959 WeakPolarHBondContact O-CB 3.42Å; H955-A959 PolarHBondContact O-N 2.88Å; H955-R966 HydrophobicContact CB-CG 3.89Å; H955-S969 WeakPolarHBondContact O-CB 3.35Å; H955-S969 PolarHBondContact O-OG 2.58Å; H955-N973 PolarHBondContact ND1-ND2 3.49Å
956	T	89.7	Confident	85.1	Confident	33 Å²	33	61.1 Å²	61.1	20%	0.202	32%	0.32	C	S	.	.	H	α-helix	trans	-71.9	-38.3	178.2	-53.8	0	0	0	0	111.4	D953 A959 K960 R966	D953-T956 PolarHBondContact O-N 3.31Å; D953-T956 VanDerWaalsContact O-N 3.14Å; D953-T956 WeakPolarHBondContact OD1-CB 3.16Å; D953-T956 PolarHBondContact OD1-OG1 3.4Å; D953-T956 PolarHBondContact OD2-N 2.82Å; T956-A959 PolarHBondContact O-N 2.92Å; T956-K960 WeakPolarHBondContact O-CB 3.4Å; T956-K960 PolarHBondContact O-N 2.95Å; T956-R966 WeakPolarHBondContact OG1-CD 3.26Å; T956-R966 PolarHBondContact OG1-NE 3.36Å
957	K	87.1	Confident	84.9	Confident	62 Å²	62	63.9 Å²	63.9	27%	0.27	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-50.8	173.3	-106	-166.8	178	-177.8	0	112.2	L72 M942 D953 A959 K960 E961	L72-K957 PolarHBondContact O-NZ 3.29Å; M942-K957 HydrophobicContact SD-CD 3.88Å; D953-K957 PolarHBondContact O-N 3.29Å; K957-A959 VanDerWaalsContact C-N 3.34Å; K957-A959 PolarHBondContact O-N 3.22Å; K957-K960 PolarHBondContact O-N 3.16Å; K957-E961 WeakPolarHBondContact O-CB 3.34Å; K957-E961 PolarHBondContact O-N 2.93Å
958	I	89	Confident	85	Confident	8 Å²	8	63 Å²	63	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-36.4	179.5	-63.1	-60.2	0	0	0	111.6	L954 E961 M962 S969 L1007 T1011	L954-I958 HydrophobicContact CD1-CG1 4.36Å; L954-I958 VanDerWaalsContact O-CG1 3.29Å; L954-I958 WeakPolarHBondContact O-CG1 3.49Å; L954-I958 PolarHBondContact O-N 2.91Å; L954-I958 VanDerWaalsContact O-N 3.08Å; I958-E961 PolarHBondContact O-N 2.94Å; I958-M962 HydrophobicContact CG2-CG 4.1Å; I958-M962 WeakPolarHBondContact O-CB 3.46Å; I958-M962 WeakPolarHBondContact O-CG 3.37Å; I958-M962 PolarHBondContact O-N 3.27Å; I958-S969 WeakPolarHBondContact CB-OG 3.49Å; I958-L1007 HydrophobicContact CD1-CD1 3.94Å; I958-L1007 HydrophobicContact CG2-CD1 3.73Å; I958-T1011 HydrophobicContact CD1-CG2 3.69Å
959	A	89.3	Confident	85.3	Confident	8 Å²	8	56.7 Å²	56.7	7%	0.066	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-47.3	174.3	0	0	0	0	0	111.7	H955 T956 K957 G963 I964 S969	H955-A959 WeakPolarHBondContact O-CB 3.42Å; H955-A959 PolarHBondContact O-N 2.88Å; T956-A959 PolarHBondContact O-N 2.92Å; K957-A959 VanDerWaalsContact C-N 3.34Å; K957-A959 PolarHBondContact O-N 3.22Å; A959-G963 WeakPolarHBondContact O-CA 3.23Å; A959-G963 PolarHBondContact O-N 2.95Å; A959-I964 HydrophobicContact CB-CG1 4.47Å; A959-I964 WeakPolarHBondContact CB-O 3.39Å; A959-I964 PolarHBondContact O-N 3.1Å; A959-S969 PolarHBondContact N-OG 3.31Å
960	K	87	Confident	85.6	Confident	184 Å²	184	53.9 Å²	53.9	80%	0.8	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-48.1	176.6	-171.3	-179.2	179.4	-179	0	111.5	T956 K957 M962 G963	T956-K960 WeakPolarHBondContact O-CB 3.4Å; T956-K960 PolarHBondContact O-N 2.95Å; K957-K960 PolarHBondContact O-N 3.16Å; K960-M962 PolarHBondContact O-N 3.31Å; K960-G963 PolarHBondContact O-N 3.26Å
961	E	84.3	Confident	86	Confident	98 Å²	98	52.1 Å²	52.1	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-38.5	-178	-167.2	65	-159	0	0	112.6	K957 I958 Q1006 I1010	K957-E961 WeakPolarHBondContact O-CB 3.34Å; K957-E961 PolarHBondContact O-N 2.93Å; I958-E961 PolarHBondContact O-N 2.94Å; E961-Q1006 PolarHBondContact OE1-NE2 3.11Å; E961-I1010 HydrophobicContact CG-CD1 3.72Å; E961-I1010 WeakPolarHBondContact OE1-CD1 3.43Å
962	M	85.4	Confident	86.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-88.6	-13.7	-178.4	-66	-63.6	101.4	0	0	113.8	I958 K960 I964 L989 K1003 Q1006 L1007	I958-M962 HydrophobicContact CG2-CG 4.1Å; I958-M962 WeakPolarHBondContact O-CB 3.46Å; I958-M962 WeakPolarHBondContact O-CG 3.37Å; I958-M962 PolarHBondContact O-N 3.27Å; K960-M962 PolarHBondContact O-N 3.31Å; M962-I964 HydrophobicContact CB-CD1 4.1Å; M962-I964 HydrophobicContact CB-CG1 4.04Å; M962-I964 HydrophobicContact CB-CG2 4.41Å; M962-L989 HydrophobicContact CB-CD2 4.32Å; M962-L989 HydrophobicContact CG-CD2 4.49Å; M962-K1003 PolarHBondContact O-NZ 3.27Å; M962-K1003 HydrophobicContact SD-CB 4.3Å; M962-Q1006 HydrophobicContact CE-CG 4.39Å; M962-L1007 HydrophobicContact CE-CB 4.23Å; M962-L1007 HydrophobicContact CG-CD1 4.19Å; M962-L1007 HydrophobicContact SD-CB 3.79Å; M962-L1007 HydrophobicContact SD-CD1 4.26Å; M962-L1007 HydrophobicContact SD-CG 4.44Å
963	G	79.5	Confident	86.4	Confident	57 Å²	57	48.9 Å²	48.9	59%	0.588	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	42.9	-173.5	0	0	0	0	0	112.7	A959 K960	A959-G963 WeakPolarHBondContact O-CA 3.23Å; A959-G963 PolarHBondContact O-N 2.95Å; K960-G963 PolarHBondContact O-N 3.26Å
964	I	82.5	Confident	86.1	Confident	19 Å²	19	51 Å²	51	10%	0.097	26%	0.259	C	S	.	.			trans	-124.8	167.2	179.6	61.8	-178.3	0	0	0	111.4	A959 M962 E968 L972 L989 F992 C993	A959-I964 HydrophobicContact CB-CG1 4.47Å; A959-I964 WeakPolarHBondContact CB-O 3.39Å; A959-I964 PolarHBondContact O-N 3.1Å; M962-I964 HydrophobicContact CB-CD1 4.1Å; M962-I964 HydrophobicContact CB-CG1 4.04Å; M962-I964 HydrophobicContact CB-CG2 4.41Å; I964-E968 HydrophobicContact CB-CB 4.32Å; I964-E968 HydrophobicContact CD1-CB 4.36Å; I964-L972 HydrophobicContact CD1-CD2 3.83Å; I964-L989 HydrophobicContact CD1-CD2 4.4Å; I964-L989 HydrophobicContact CG2-CD2 4.32Å; I964-F992 HydrophobicContact CG2-CB 4.04Å; I964-C993 WeakPolarHBondContact CG2-SG 3.16Å
965	K	82.6	Confident	85.8	Confident	145 Å²	145	51.7 Å²	51.7	63%	0.63	26%	0.264	S	S	*	.			trans	-70.3	152.5	174.5	-61.6	178.7	-178.6	179.3	0	110.6	S967 E968 S969	K965-S967 VanDerWaalsContact C-N 3.28Å; K965-S967 PolarHBondContact O-N 2.65Å; K965-E968 HydrophobicContact CB-CB 4.49Å; K965-E968 HydrophobicContact CB-CG 4.14Å; K965-E968 WeakPolarHBondContact CB-OE2 3.46Å; K965-E968 PolarHBondContact N-OE2 3.17Å; K965-E968 WeakPolarHBondContact O-CB 3.23Å; K965-E968 PolarHBondContact O-N 3.24Å; K965-E968 VanDerWaalsContact O-N 3.07Å; K965-S969 PolarHBondContact O-N 3.25Å
966	R	85.6	Confident	85.6	Confident	87 Å²	87	51.3 Å²	51.3	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-57.2	-39	177	-171.2	-179.2	-179.7	-93.4	-0.7	113.1	D953 H955 T956 E968 S969 K970	D953-R966 IonicContact OD1-NE 2.73Å; D953-R966 IonicContact OD2-CZ 2.99Å; D953-R966 IonicContact OD2-NE 3.21Å; D953-R966 PolarHBondContact OD2-NE 2.8Å; D953-R966 IonicContact OD2-NH2 3.42Å; D953-R966 PolarHBondContact OD2-NH2 2.98Å; H955-R966 HydrophobicContact CB-CG 3.89Å; T956-R966 WeakPolarHBondContact OG1-CD 3.26Å; T956-R966 PolarHBondContact OG1-NE 3.36Å; R966-E968 VanDerWaalsContact C-N 3.33Å; R966-E968 PolarHBondContact O-N 2.73Å; R966-S969 PolarHBondContact O-N 3.16Å; R966-K970 PolarHBondContact O-N 3.39Å
967	S	81.1	Confident	85	Confident	82 Å²	82	50.5 Å²	50.5	57%	0.573	26%	0.256	S	S	*	.	H	α-helix	trans	-63.4	-38.5	176.8	50	0	0	0	0	112.4	K965 K970 V971	K965-S967 VanDerWaalsContact C-N 3.28Å; K965-S967 PolarHBondContact O-N 2.65Å; S967-K970 WeakPolarHBondContact O-CB 3.23Å; S967-K970 PolarHBondContact O-N 2.94Å; S967-V971 PolarHBondContact O-N 2.89Å
968	E	86	Confident	84.2	Confident	44 Å²	44	49.9 Å²	49.9	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-41.9	175.8	-63.2	169.5	153.9	0	0	111	I964 K965 R966 K970 V971 L972 F992	I964-E968 HydrophobicContact CB-CB 4.32Å; I964-E968 HydrophobicContact CD1-CB 4.36Å; K965-E968 HydrophobicContact CB-CB 4.49Å; K965-E968 HydrophobicContact CB-CG 4.14Å; K965-E968 WeakPolarHBondContact CB-OE2 3.46Å; K965-E968 PolarHBondContact N-OE2 3.17Å; K965-E968 WeakPolarHBondContact O-CB 3.23Å; K965-E968 PolarHBondContact O-N 3.24Å; K965-E968 VanDerWaalsContact O-N 3.07Å; R966-E968 VanDerWaalsContact C-N 3.33Å; R966-E968 PolarHBondContact O-N 2.73Å; E968-K970 VanDerWaalsContact C-N 3.28Å; E968-K970 PolarHBondContact O-N 2.74Å; E968-V971 PolarHBondContact O-N 2.91Å; E968-L972 WeakPolarHBondContact O-CB 3.33Å; E968-L972 PolarHBondContact O-N 3.37Å; E968-F992 HydrophobicContact CB-CB 4.33Å; E968-F992 HydrophobicContact CB-CD1 3.98Å; E968-F992 HydrophobicContact CB-CD2 3.8Å; E968-F992 HydrophobicContact CB-CE1 4.2Å; E968-F992 HydrophobicContact CB-CE2 4.01Å; E968-F992 HydrophobicContact CB-CG 3.79Å; E968-F992 HydrophobicContact CB-CZ 4.21Å; E968-F992 HydrophobicContact CG-CB 4.41Å; E968-F992 HydrophobicContact CG-CD1 3.72Å; E968-F992 HydrophobicContact CG-CD2 4.45Å; E968-F992 HydrophobicContact CG-CE1 4.04Å; E968-F992 HydrophobicContact CG-CG 3.96Å
969	S	89.4	Confident	83.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-37.8	172.7	176.2	0	0	0	0	112.3	H955 I958 A959 K965 R966 L972 N973	H955-S969 WeakPolarHBondContact O-CB 3.35Å; H955-S969 PolarHBondContact O-OG 2.58Å; I958-S969 WeakPolarHBondContact CB-OG 3.49Å; A959-S969 PolarHBondContact N-OG 3.31Å; K965-S969 PolarHBondContact O-N 3.25Å; R966-S969 PolarHBondContact O-N 3.16Å; S969-L972 PolarHBondContact O-N 3.07Å; S969-N973 WeakPolarHBondContact O-CB 3.26Å; S969-N973 PolarHBondContact O-N 3.42Å
970	K	88	Confident	82.5	Confident	97 Å²	97	52 Å²	52	42%	0.422	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-50.3	173.7	-170.9	174.8	-178.1	178.6	0	111	R966 S967 E968 L972 N973 Y974	R966-K970 PolarHBondContact O-N 3.39Å; S967-K970 WeakPolarHBondContact O-CB 3.23Å; S967-K970 PolarHBondContact O-N 2.94Å; E968-K970 VanDerWaalsContact C-N 3.28Å; E968-K970 PolarHBondContact O-N 2.74Å; K970-L972 VanDerWaalsContact C-N 3.33Å; K970-L972 PolarHBondContact O-N 3.41Å; K970-N973 PolarHBondContact O-N 3.08Å; K970-Y974 HydrophobicContact CD-CE2 4.21Å; K970-Y974 HydrophobicContact CG-CD2 3.83Å; K970-Y974 HydrophobicContact CG-CE2 3.57Å; K970-Y974 WeakPolarHBondContact O-CD2 3.3Å; K970-Y974 PolarHBondContact O-N 3.49Å; K970-Y974 VanDerWaalsContact O-N 3.14Å
971	V	86.4	Confident	82.1	Confident	77 Å²	77	45.1 Å²	45.1	47%	0.467	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-44.4	176.7	177	0	0	0	0	111.3	S967 E968 S975 L988 F992	S967-V971 PolarHBondContact O-N 2.89Å; E968-V971 PolarHBondContact O-N 2.91Å; V971-S975 WeakPolarHBondContact O-CB 3.27Å; V971-S975 PolarHBondContact O-N 3.45Å; V971-S975 PolarHBondContact O-OG 3.34Å; V971-L988 HydrophobicContact CG1-CD1 4.4Å; V971-F992 HydrophobicContact CB-CZ 4.19Å; V971-F992 HydrophobicContact CG1-CZ 4.1Å
972	L	88.7	Confident	82.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-48.8	-179.9	-173.7	62.9	0	0	0	112.1	I964 E968 S969 K970 S975 R976 A985 L988 L989 F992 L1007	I964-L972 HydrophobicContact CD1-CD2 3.83Å; E968-L972 WeakPolarHBondContact O-CB 3.33Å; E968-L972 PolarHBondContact O-N 3.37Å; S969-L972 PolarHBondContact O-N 3.07Å; K970-L972 VanDerWaalsContact C-N 3.33Å; K970-L972 PolarHBondContact O-N 3.41Å; L972-S975 PolarHBondContact O-N 3.08Å; L972-S975 PolarHBondContact O-OG 2.97Å; L972-R976 WeakPolarHBondContact O-CB 3.18Å; L972-R976 PolarHBondContact O-N 2.93Å; L972-A985 HydrophobicContact CD1-CB 4.07Å; L972-L988 HydrophobicContact CD1-CB 4.07Å; L972-L988 HydrophobicContact CD1-CD1 4.04Å; L972-L989 HydrophobicContact CD1-CG 4.35Å; L972-L989 HydrophobicContact CD2-CD1 4.46Å; L972-L989 HydrophobicContact CD2-CD2 3.67Å; L972-L989 HydrophobicContact CD2-CG 4.03Å; L972-F992 HydrophobicContact CB-CE2 4.44Å; L972-L1007 HydrophobicContact CD1-CD2 4.34Å; L972-L1007 HydrophobicContact CD2-CD2 3.64Å; L972-L1007 HydrophobicContact CG-CD2 3.93Å
973	N	87.8	Confident	81.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-48.6	-179.2	-80.8	-10.3	0	0	0	111.7	H955 S969 K970 S975 R976 L977	H955-N973 PolarHBondContact ND1-ND2 3.49Å; S969-N973 WeakPolarHBondContact O-CB 3.26Å; S969-N973 PolarHBondContact O-N 3.42Å; K970-N973 PolarHBondContact O-N 3.08Å; N973-S975 PolarHBondContact O-N 3.11Å; N973-R976 PolarHBondContact O-N 3.36Å; N973-L977 WeakPolarHBondContact O-CB 3.49Å; N973-L977 WeakPolarHBondContact O-CG 3.39Å; N973-L977 PolarHBondContact O-N 2.82Å
974	Y	82.4	Confident	81.9	Confident	54 Å²	54	52.9 Å²	52.9	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176.6	-79	-58.8	0	0	0	111.5	K970 R976 L977 Y978	K970-Y974 HydrophobicContact CD-CE2 4.21Å; K970-Y974 HydrophobicContact CG-CD2 3.83Å; K970-Y974 HydrophobicContact CG-CE2 3.57Å; K970-Y974 WeakPolarHBondContact O-CD2 3.3Å; K970-Y974 PolarHBondContact O-N 3.49Å; K970-Y974 VanDerWaalsContact O-N 3.14Å; Y974-R976 VanDerWaalsContact C-N 3.27Å; Y974-R976 PolarHBondContact O-N 2.96Å; Y974-L977 PolarHBondContact O-N 3.14Å; Y974-Y978 AromaticContact CD1-CE2 3.48Å; Y974-Y978 HydrophobicContact CD1-CE2 3.48Å; Y974-Y978 VanDerWaalsContact CD1-CE2 3.48Å; Y974-Y978 AromaticContact CD1-CZ 3.66Å; Y974-Y978 WeakPolarHBondContact CD1-OH 3.33Å; Y974-Y978 HydrophobicContact CE1-CE2 4.46Å; Y974-Y978 WeakPolarHBondContact CE1-OH 3.5Å; Y974-Y978 AromaticContact CG-CE2 4Å; Y974-Y978 HydrophobicContact CG-CE2 4Å; Y974-Y978 WeakPolarHBondContact O-CD2 3.43Å; Y974-Y978 VanDerWaalsContact O-CG 3.29Å; Y974-Y978 PolarHBondContact O-N 2.98Å
975	S	80.4	Confident	82.1	Confident	17 Å²	17	52 Å²	52	12%	0.119	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-44.1	179.1	75.1	0	0	0	0	112.1	V971 L972 N973 Y978 S980 L988	V971-S975 WeakPolarHBondContact O-CB 3.27Å; V971-S975 PolarHBondContact O-N 3.45Å; V971-S975 PolarHBondContact O-OG 3.34Å; L972-S975 PolarHBondContact O-N 3.08Å; L972-S975 PolarHBondContact O-OG 2.97Å; N973-S975 PolarHBondContact O-N 3.11Å; S975-Y978 PolarHBondContact O-N 2.9Å; S975-S980 WeakPolarHBondContact O-CB 3.37Å; S975-S980 PolarHBondContact O-N 2.86Å; S975-S980 PolarHBondContact O-OG 2.97Å; S975-S980 VanDerWaalsContact O-OG 3.06Å; S975-L988 WeakPolarHBondContact OG-CD1 3.17Å
976	R	85	Confident	82.2	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-68.8	-44.6	-179	-176.2	177.9	63.6	69.9	12.6	112.4	L972 N973 Y974 Y978 G979 F1008 T1011 E1039	L972-R976 WeakPolarHBondContact O-CB 3.18Å; L972-R976 PolarHBondContact O-N 2.93Å; N973-R976 PolarHBondContact O-N 3.36Å; Y974-R976 VanDerWaalsContact C-N 3.27Å; Y974-R976 PolarHBondContact O-N 2.96Å; R976-Y978 PolarHBondContact O-N 3.23Å; R976-G979 PolarHBondContact O-N 2.84Å; R976-G979 VanDerWaalsContact O-N 3.16Å; R976-F1008 HydrophobicContact CB-CZ 4.47Å; R976-F1008 HydrophobicContact CG-CD1 4.44Å; R976-F1008 HydrophobicContact CG-CD2 4.49Å; R976-F1008 HydrophobicContact CG-CE1 3.76Å; R976-F1008 HydrophobicContact CG-CE2 3.86Å; R976-F1008 HydrophobicContact CG-CZ 3.47Å; R976-F1008 VanDerWaalsContact CG-CZ 3.47Å; R976-T1011 VanDerWaalsContact CZ-CB 3.5Å; R976-T1011 PolarHBondContact NE-OG1 3.37Å; R976-T1011 PolarHBondContact NH1-OG1 2.93Å; R976-E1039 IonicContact CZ-OE1 3.5Å; R976-E1039 IonicContact CZ-OE2 2.98Å; R976-E1039 IonicContact NH1-OE1 3.64Å; R976-E1039 IonicContact NH1-OE2 3.59Å; R976-E1039 PolarHBondContact NH1-OE2 3.02Å; R976-E1039 IonicContact NH2-OE1 2.65Å; R976-E1039 PolarHBondContact NH2-OE1 2.79Å; R976-E1039 IonicContact NH2-OE2 3.04Å; R976-E1039 PolarHBondContact NH2-OE2 3.32Å
977	L	77.5	Confident	81.9	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-58.7	-36.6	177	-82.1	157.7	0	0	0	111.3	Y939 N973 Y974 G979	Y939-L977 HydrophobicContact CE2-CD1 4.34Å; Y939-L977 HydrophobicContact CE2-CD2 4.32Å; Y939-L977 VanDerWaalsContact OH-CD1 3.27Å; Y939-L977 WeakPolarHBondContact OH-CD1 3.39Å; N973-L977 WeakPolarHBondContact O-CB 3.49Å; N973-L977 WeakPolarHBondContact O-CG 3.39Å; N973-L977 PolarHBondContact O-N 2.82Å; Y974-L977 PolarHBondContact O-N 3.14Å; L977-G979 PolarHBondContact O-N 3.11Å
978	Y	71.4	Confident	81.9	Confident	50 Å²	50	43.1 Å²	43.1	20%	0.196	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	20.7	179.6	-55.9	-42.5	0	0	0	114.5	E919 Y974 S975 R976 N1083 V1086	E919-Y978 WeakPolarHBondContact CB-OH 3.37Å; E919-Y978 PolarHBondContact OE2-OH 3.31Å; Y974-Y978 AromaticContact CD1-CE2 3.48Å; Y974-Y978 HydrophobicContact CD1-CE2 3.48Å; Y974-Y978 VanDerWaalsContact CD1-CE2 3.48Å; Y974-Y978 AromaticContact CD1-CZ 3.66Å; Y974-Y978 WeakPolarHBondContact CD1-OH 3.33Å; Y974-Y978 HydrophobicContact CE1-CE2 4.46Å; Y974-Y978 WeakPolarHBondContact CE1-OH 3.5Å; Y974-Y978 AromaticContact CG-CE2 4Å; Y974-Y978 HydrophobicContact CG-CE2 4Å; Y974-Y978 WeakPolarHBondContact O-CD2 3.43Å; Y974-Y978 VanDerWaalsContact O-CG 3.29Å; Y974-Y978 PolarHBondContact O-N 2.98Å; S975-Y978 PolarHBondContact O-N 2.9Å; R976-Y978 PolarHBondContact O-N 3.23Å; Y978-N1083 WeakPolarHBondContact CA-OD1 3.36Å; Y978-N1083 WeakPolarHBondContact CB-OD1 3.5Å; Y978-N1083 WeakPolarHBondContact CD1-OD1 3.43Å; Y978-V1086 HydrophobicContact CE1-CG1 4.45Å
979	G	68.4	Low	81.8	Confident	27 Å²	27	41 Å²	41	28%	0.278	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	8.7	167.9	0	0	0	0	0	115.1	R976 L977 G981	R976-G979 PolarHBondContact O-N 2.84Å; R976-G979 VanDerWaalsContact O-N 3.16Å; L977-G979 PolarHBondContact O-N 3.11Å; G979-G981 PolarHBondContact O-N 3.28Å
980	S	73	Confident	81	Confident	32 Å²	32	42 Å²	42	22%	0.224	23%	0.225	C	C	.	.			trans	-60.8	124.4	166.9	-68.3	0	0	0	0	109.7	S975 F984 F1008	S975-S980 WeakPolarHBondContact O-CB 3.37Å; S975-S980 PolarHBondContact O-N 2.86Å; S975-S980 PolarHBondContact O-OG 2.97Å; S975-S980 VanDerWaalsContact O-OG 3.06Å; S980-F984 VanDerWaalsContact CB-CD1 3.44Å; S980-F984 VanDerWaalsContact OG-CD1 3.31Å; S980-F984 WeakPolarHBondContact OG-CD1 3.11Å; S980-F1008 WeakPolarHBondContact O-CZ 3.13Å
981	G	79.1	Confident	80.3	Confident	40 Å²	40	40.6 Å²	40.6	41%	0.412	22%	0.219	S	C	.	.			trans	-72.8	177	179.1	0	0	0	0	0	113.2	G979 E983 F984 A985	G979-G981 PolarHBondContact O-N 3.28Å; G981-E983 PolarHBondContact O-N 2.92Å; G981-F984 PolarHBondContact O-N 3.34Å; G981-F984 VanDerWaalsContact O-N 3.17Å; G981-A985 PolarHBondContact O-N 2.87Å; G981-A985 VanDerWaalsContact O-N 3.15Å
982	I	83.3	Confident	79.9	Confident	64 Å²	64	39 Å²	39	33%	0.328	21%	0.206	S	C	.	.	H	α-helix	trans	-53.3	-42.5	178.5	-64.9	174.1	0	0	0	110.7	F984 A985 S986 A1004 K1005 F1008	I982-F984 PolarHBondContact O-N 3.38Å; I982-A985 CarbonylContact O-C 3.59Å; I982-A985 PolarHBondContact O-N 2.89Å; I982-S986 PolarHBondContact O-N 3.22Å; I982-S986 PolarHBondContact O-OG 3.41Å; I982-A1004 HydrophobicContact CG2-CB 3.85Å; I982-K1005 HydrophobicContact CD1-CG 4.33Å; I982-K1005 HydrophobicContact CG2-CG 4.13Å; I982-F1008 HydrophobicContact CG1-CD1 4.19Å; I982-F1008 HydrophobicContact CG1-CD2 3.93Å; I982-F1008 HydrophobicContact CG1-CE1 4.31Å; I982-F1008 HydrophobicContact CG1-CE2 4.02Å; I982-F1008 HydrophobicContact CG1-CG 3.97Å; I982-F1008 HydrophobicContact CG1-CZ 4.19Å
983	E	79.7	Confident	79	Confident	163 Å²	163	40.3 Å²	40.3	76%	0.762	22%	0.215	S	C	*	.	H	α-helix	trans	-58.1	-43.9	-179.3	-64.6	-174.7	166.4	0	0	113.3	G981 S986 H987	G981-E983 PolarHBondContact O-N 2.92Å; E983-S986 WeakPolarHBondContact O-CB 3.31Å; E983-S986 PolarHBondContact O-N 3.4Å; E983-H987 PolarHBondContact O-N 3.1Å
984	F	82.4	Confident	78	Confident	94 Å²	94	44.2 Å²	44.2	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-70.2	-40.6	178.8	-177	-93.8	0	0	0	111.4	S980 G981 I982 S986 H987 L988	S980-F984 VanDerWaalsContact CB-CD1 3.44Å; S980-F984 VanDerWaalsContact OG-CD1 3.31Å; S980-F984 WeakPolarHBondContact OG-CD1 3.11Å; G981-F984 PolarHBondContact O-N 3.34Å; G981-F984 VanDerWaalsContact O-N 3.17Å; I982-F984 PolarHBondContact O-N 3.38Å; F984-S986 VanDerWaalsContact C-N 3.28Å; F984-S986 PolarHBondContact O-N 2.89Å; F984-H987 WeakPolarHBondContact O-CB 3.44Å; F984-H987 PolarHBondContact O-N 2.73Å; F984-H987 VanDerWaalsContact O-N 3.13Å; F984-L988 HydrophobicContact CD1-CD1 3.95Å; F984-L988 HydrophobicContact CD1-CG 4.25Å; F984-L988 HydrophobicContact CE1-CD1 3.4Å; F984-L988 VanDerWaalsContact CE1-CD1 3.4Å; F984-L988 HydrophobicContact CE1-CG 3.8Å; F984-L988 HydrophobicContact CZ-CD1 4.16Å; F984-L988 HydrophobicContact CZ-CG 4.19Å; F984-L988 PolarHBondContact O-N 2.9Å
985	A	86.6	Confident	77.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-38.1	173.1	0	0	0	0	0	111.5	L972 G981 I982 L988 L989 A1004 F1008	L972-A985 HydrophobicContact CD1-CB 4.07Å; G981-A985 PolarHBondContact O-N 2.87Å; G981-A985 VanDerWaalsContact O-N 3.15Å; I982-A985 CarbonylContact O-C 3.59Å; I982-A985 PolarHBondContact O-N 2.89Å; A985-L988 PolarHBondContact O-N 3.46Å; A985-L989 WeakPolarHBondContact O-CB 3.41Å; A985-L989 VanDerWaalsContact O-CG 3.31Å; A985-L989 WeakPolarHBondContact O-CG 3.37Å; A985-L989 PolarHBondContact O-N 2.89Å; A985-A1004 HydrophobicContact CB-CB 4.09Å; A985-F1008 HydrophobicContact CB-CE2 3.74Å
986	S	83.8	Confident	76.1	Confident	11 Å²	11	42.4 Å²	42.4	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-43.4	171.9	-52.7	0	0	0	0	111.1	I982 E983 F984 L988 L989 A990 A1000 S1001 A1004	I982-S986 PolarHBondContact O-N 3.22Å; I982-S986 PolarHBondContact O-OG 3.41Å; E983-S986 WeakPolarHBondContact O-CB 3.31Å; E983-S986 PolarHBondContact O-N 3.4Å; F984-S986 VanDerWaalsContact C-N 3.28Å; F984-S986 PolarHBondContact O-N 2.89Å; S986-L988 PolarHBondContact O-N 3.05Å; S986-L989 PolarHBondContact O-N 3.01Å; S986-A990 VanDerWaalsContact O-CB 3.27Å; S986-A990 WeakPolarHBondContact O-CB 3.24Å; S986-A990 PolarHBondContact O-N 2.9Å; S986-A1000 WeakPolarHBondContact O-CB 3.29Å; S986-A1000 PolarHBondContact OG-O 2.99Å; S986-S1001 VanDerWaalsContact OG-CA 3.26Å; S986-S1001 WeakPolarHBondContact OG-CA 3.42Å; S986-A1004 WeakPolarHBondContact OG-CB 3.33Å
987	H	79	Confident	75	Confident	99 Å²	99	45.1 Å²	45.1	46%	0.458	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-44.1	176.5	-172.4	76.3	0	0	0	112.3	E983 F984 K991	E983-H987 PolarHBondContact O-N 3.1Å; F984-H987 WeakPolarHBondContact O-CB 3.44Å; F984-H987 PolarHBondContact O-N 2.73Å; F984-H987 VanDerWaalsContact O-N 3.13Å; H987-K991 WeakPolarHBondContact O-CB 3.26Å; H987-K991 PolarHBondContact O-N 3Å
988	L	82.4	Confident	74.5	Confident	18 Å²	18	46.4 Å²	46.4	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-45.3	175.6	-78.7	-178.7	0	0	0	112.5	V971 L972 S975 F984 A985 S986 K991 F992	V971-L988 HydrophobicContact CG1-CD1 4.4Å; L972-L988 HydrophobicContact CD1-CB 4.07Å; L972-L988 HydrophobicContact CD1-CD1 4.04Å; S975-L988 WeakPolarHBondContact OG-CD1 3.17Å; F984-L988 HydrophobicContact CD1-CD1 3.95Å; F984-L988 HydrophobicContact CD1-CG 4.25Å; F984-L988 HydrophobicContact CE1-CD1 3.4Å; F984-L988 VanDerWaalsContact CE1-CD1 3.4Å; F984-L988 HydrophobicContact CE1-CG 3.8Å; F984-L988 HydrophobicContact CZ-CD1 4.16Å; F984-L988 HydrophobicContact CZ-CG 4.19Å; F984-L988 PolarHBondContact O-N 2.9Å; A985-L988 PolarHBondContact O-N 3.46Å; S986-L988 PolarHBondContact O-N 3.05Å; L988-K991 CarbonylContact O-C 3.56Å; L988-K991 WeakPolarHBondContact O-CA 3.36Å; L988-K991 VanDerWaalsContact O-CB 3.3Å; L988-K991 WeakPolarHBondContact O-CB 3.33Å; L988-K991 PolarHBondContact O-N 2.62Å; L988-F992 HydrophobicContact CB-CD2 4.32Å; L988-F992 HydrophobicContact CB-CE2 3.89Å; L988-F992 HydrophobicContact CB-CZ 4.43Å; L988-F992 HydrophobicContact CD1-CE2 4.47Å; L988-F992 HydrophobicContact CD2-CE2 4.17Å; L988-F992 HydrophobicContact CD2-CZ 3.86Å; L988-F992 HydrophobicContact CG-CE2 4.42Å; L988-F992 VanDerWaalsContact O-CD2 3.26Å; L988-F992 WeakPolarHBondContact O-CD2 3.32Å; L988-F992 VanDerWaalsContact O-CG 3.25Å; L988-F992 WeakPolarHBondContact O-CG 3.41Å; L988-F992 PolarHBondContact O-N 3.12Å
989	L	82.3	Confident	74.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-39.3	178.6	-75.9	167.8	0	0	0	111.8	M962 I964 L972 A985 S986 K991 F992 C993 I995 A1000 K1003 A1004	M962-L989 HydrophobicContact CB-CD2 4.32Å; M962-L989 HydrophobicContact CG-CD2 4.49Å; I964-L989 HydrophobicContact CD1-CD2 4.4Å; I964-L989 HydrophobicContact CG2-CD2 4.32Å; L972-L989 HydrophobicContact CD1-CG 4.35Å; L972-L989 HydrophobicContact CD2-CD1 4.46Å; L972-L989 HydrophobicContact CD2-CD2 3.67Å; L972-L989 HydrophobicContact CD2-CG 4.03Å; A985-L989 WeakPolarHBondContact O-CB 3.41Å; A985-L989 VanDerWaalsContact O-CG 3.31Å; A985-L989 WeakPolarHBondContact O-CG 3.37Å; A985-L989 PolarHBondContact O-N 2.89Å; S986-L989 PolarHBondContact O-N 3.01Å; L989-K991 PolarHBondContact O-N 2.9Å; L989-F992 PolarHBondContact O-N 3.08Å; L989-C993 WeakPolarHBondContact O-CB 3.4Å; L989-C993 PolarHBondContact O-N 2.85Å; L989-C993 PolarHBondContact O-SG 3.25Å; L989-I995 HydrophobicContact CB-CD1 4.38Å; L989-A1000 HydrophobicContact CB-CB 4.04Å; L989-K1003 HydrophobicContact CD1-CB 4Å; L989-A1004 HydrophobicContact CD1-CB 4.03Å
990	A	73.7	Confident	74.8	Confident	21 Å²	21	43.6 Å²	43.6	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-38.4	170.5	0	0	0	0	0	110.9	S986 N994 A1000	S986-A990 VanDerWaalsContact O-CB 3.27Å; S986-A990 WeakPolarHBondContact O-CB 3.24Å; S986-A990 PolarHBondContact O-N 2.9Å; A990-N994 WeakPolarHBondContact O-CA 3.49Å; A990-N994 PolarHBondContact O-N 3.07Å; A990-A1000 HydrophobicContact CB-CB 3.78Å
991	K	73.3	Confident	75	Confident	66 Å²	66	43.8 Å²	43.8	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-71.3	-36.7	175.9	-171.5	179.3	-178.8	173.8	0	113.2	S778 R784 H987 L988 L989	S778-K991 VanDerWaalsContact OG-CE 3.31Å; S778-K991 WeakPolarHBondContact OG-CE 3.37Å; S778-K991 PolarHBondContact OG-NZ 3.02Å; R784-K991 PolarHBondContact NH1-O 3.41Å; R784-K991 PolarHBondContact NH2-O 2.79Å; H987-K991 WeakPolarHBondContact O-CB 3.26Å; H987-K991 PolarHBondContact O-N 3Å; L988-K991 CarbonylContact O-C 3.56Å; L988-K991 WeakPolarHBondContact O-CA 3.36Å; L988-K991 VanDerWaalsContact O-CB 3.3Å; L988-K991 WeakPolarHBondContact O-CB 3.33Å; L988-K991 PolarHBondContact O-N 2.62Å; L989-K991 PolarHBondContact O-N 2.9Å
992	F	77.7	Confident	75.2	Confident	43 Å²	43	44.7 Å²	44.7	19%	0.189	23%	0.23	C	C	.	.	H	α-helix	trans	-84.7	-49.2	-175.8	-61.2	-35.6	0	0	0	112.4	I964 E968 V971 L972 L988 L989 N994	I964-F992 HydrophobicContact CG2-CB 4.04Å; E968-F992 HydrophobicContact CB-CB 4.33Å; E968-F992 HydrophobicContact CB-CD1 3.98Å; E968-F992 HydrophobicContact CB-CD2 3.8Å; E968-F992 HydrophobicContact CB-CE1 4.2Å; E968-F992 HydrophobicContact CB-CE2 4.01Å; E968-F992 HydrophobicContact CB-CG 3.79Å; E968-F992 HydrophobicContact CB-CZ 4.21Å; E968-F992 HydrophobicContact CG-CB 4.41Å; E968-F992 HydrophobicContact CG-CD1 3.72Å; E968-F992 HydrophobicContact CG-CD2 4.45Å; E968-F992 HydrophobicContact CG-CE1 4.04Å; E968-F992 HydrophobicContact CG-CG 3.96Å; V971-F992 HydrophobicContact CB-CZ 4.19Å; V971-F992 HydrophobicContact CG1-CZ 4.1Å; L972-F992 HydrophobicContact CB-CE2 4.44Å; L988-F992 HydrophobicContact CB-CD2 4.32Å; L988-F992 HydrophobicContact CB-CE2 3.89Å; L988-F992 HydrophobicContact CB-CZ 4.43Å; L988-F992 HydrophobicContact CD1-CE2 4.47Å; L988-F992 HydrophobicContact CD2-CE2 4.17Å; L988-F992 HydrophobicContact CD2-CZ 3.86Å; L988-F992 HydrophobicContact CG-CE2 4.42Å; L988-F992 VanDerWaalsContact O-CD2 3.26Å; L988-F992 WeakPolarHBondContact O-CD2 3.32Å; L988-F992 VanDerWaalsContact O-CG 3.25Å; L988-F992 WeakPolarHBondContact O-CG 3.41Å; L988-F992 PolarHBondContact O-N 3.12Å; L989-F992 PolarHBondContact O-N 3.08Å; F992-N994 VanDerWaalsContact C-N 3.29Å; F992-N994 PolarHBondContact O-N 3.39Å
993	C	69.5	Low	75.3	Confident	29 Å²	29	43.8 Å²	43.8	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-84.8	-4.7	-175.6	-42.3	0	0	0	0	113	I964 L989 I995	I964-C993 WeakPolarHBondContact CG2-SG 3.16Å; L989-C993 WeakPolarHBondContact O-CB 3.4Å; L989-C993 PolarHBondContact O-N 2.85Å; L989-C993 PolarHBondContact O-SG 3.25Å; C993-I995 HydrophobicContact CB-CB 4.2Å; C993-I995 HydrophobicContact CB-CD1 3.81Å; C993-I995 HydrophobicContact CB-CG1 3.81Å; C993-I995 HydrophobicContact CB-CG2 3.6Å; C993-I995 PolarHBondContact O-N 3Å; C993-I995 VanDerWaalsContact O-N 3.13Å
994	N	66.4	Low	75.8	Confident	83 Å²	83	36 Å²	36	44%	0.444	19%	0.187	S	C	.	.			trans	54.9	28	-171.6	-156.9	53.8	0	0	0	113.4	Q509 A990 F992	Q509-N994 PolarHBondContact NE2-ND2 3.26Å; Q509-N994 PolarHBondContact NE2-OD1 3.3Å; A990-N994 WeakPolarHBondContact O-CA 3.49Å; A990-N994 PolarHBondContact O-N 3.07Å; F992-N994 VanDerWaalsContact C-N 3.29Å; F992-N994 PolarHBondContact O-N 3.39Å
995	I	64	Low	76.1	Confident	19 Å²	19	36.8 Å²	36.8	10%	0.097	19%	0.191	C	C	.	.			trans	-88.9	167.3	177.9	61.2	-177.8	0	0	0	110.3	L989 C993 Q999 A1000 K1003	L989-I995 HydrophobicContact CB-CD1 4.38Å; C993-I995 HydrophobicContact CB-CB 4.2Å; C993-I995 HydrophobicContact CB-CD1 3.81Å; C993-I995 HydrophobicContact CB-CG1 3.81Å; C993-I995 HydrophobicContact CB-CG2 3.6Å; C993-I995 PolarHBondContact O-N 3Å; C993-I995 VanDerWaalsContact O-N 3.13Å; I995-Q999 HydrophobicContact CB-CB 3.93Å; I995-Q999 HydrophobicContact CD1-CB 4.2Å; I995-Q999 HydrophobicContact CG1-CB 4.32Å; I995-A1000 HydrophobicContact CD1-CB 3.81Å; I995-A1000 HydrophobicContact CG1-CB 3.94Å; I995-K1003 HydrophobicContact CD1-CD 3.9Å; I995-K1003 HydrophobicContact CD1-CG 4.47Å
996	T	58.9	Low	76.2	Confident	13 Å²	13	40.8 Å²	40.8	8%	0.08	21%	0.209	C	C	.	.			trans	-74.7	164.1	178.2	72.8	0	0	0	0	112.8	Q712 A715 E998 Q999 A1000	Q712-T996 VanDerWaalsContact CA-CG2 3.49Å; Q712-T996 HydrophobicContact CB-CG2 3.5Å; Q712-T996 HydrophobicContact CG-CG2 3.62Å; Q712-T996 WeakPolarHBondContact O-CG2 3.39Å; A715-T996 HydrophobicContact CB-CG2 3.01Å; A715-T996 WeakPolarHBondContact CB-OG1 3.49Å; T996-E998 VanDerWaalsContact CB-OE2 3.31Å; T996-E998 WeakPolarHBondContact CB-OE2 3.4Å; T996-E998 PolarHBondContact O-N 3.27Å; T996-E998 VanDerWaalsContact O-N 3.15Å; T996-E998 PolarHBondContact OG1-N 3.21Å; T996-E998 PolarHBondContact OG1-OE2 2.91Å; T996-Q999 PolarHBondContact O-N 2.7Å; T996-Q999 PolarHBondContact OG1-N 3.48Å; T996-A1000 WeakPolarHBondContact O-CB 3.35Å; T996-A1000 PolarHBondContact O-N 3.09Å
997	P	63.4	Low	76.5	Confident	60 Å²	60	40.3 Å²	40.3	39%	0.39	21%	0.206	S	C	.	.	H	α-helix	trans	-51.5	-34.3	173.1	-28.1	37.1	0	0	0	114	S1001	P997-S1001 WeakPolarHBondContact O-CB 3.27Å; P997-S1001 PolarHBondContact O-N 2.96Å
998	E	65.4	Low	77.1	Confident	43 Å²	43	37 Å²	37	20%	0.201	19%	0.19	C	C	.	.	H	α-helix	trans	-83.4	-41	-175.6	-52.5	97	157.2	0	0	112.7	Q712 N719 T996 A1000 S1001 L1002	Q712-E998 PolarHBondContact NE2-OE1 3.41Å; Q712-E998 PolarHBondContact NE2-OE2 3.28Å; N719-E998 HydrophobicContact CB-CB 3.69Å; N719-E998 HydrophobicContact CB-CG 4.02Å; N719-E998 VanDerWaalsContact ND2-CG 3.34Å; N719-E998 WeakPolarHBondContact ND2-CG 3.4Å; T996-E998 VanDerWaalsContact CB-OE2 3.31Å; T996-E998 WeakPolarHBondContact CB-OE2 3.4Å; T996-E998 PolarHBondContact O-N 3.27Å; T996-E998 VanDerWaalsContact O-N 3.15Å; T996-E998 PolarHBondContact OG1-N 3.21Å; T996-E998 PolarHBondContact OG1-OE2 2.91Å; E998-A1000 PolarHBondContact O-N 2.76Å; E998-S1001 WeakPolarHBondContact O-CA 3.41Å; E998-S1001 WeakPolarHBondContact O-CB 3.49Å; E998-S1001 PolarHBondContact O-N 3.45Å; E998-S1001 VanDerWaalsContact O-N 3.1Å; E998-L1002 PolarHBondContact O-N 2.89Å
999	Q	69.6	Low	77.4	Confident	18 Å²	18	40.6 Å²	40.6	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-42.9	166.2	-84	-178.6	-27.7	0	0	110.7	A715 L718 I995 T996 S1001 L1002 K1003	A715-Q999 HydrophobicContact CB-CB 4.48Å; A715-Q999 HydrophobicContact CB-CG 3.6Å; L718-Q999 HydrophobicContact CB-CG 4.34Å; L718-Q999 HydrophobicContact CD1-CG 3.9Å; I995-Q999 HydrophobicContact CB-CB 3.93Å; I995-Q999 HydrophobicContact CD1-CB 4.2Å; I995-Q999 HydrophobicContact CG1-CB 4.32Å; T996-Q999 PolarHBondContact O-N 2.7Å; T996-Q999 PolarHBondContact OG1-N 3.48Å; Q999-S1001 VanDerWaalsContact C-N 3.27Å; Q999-S1001 PolarHBondContact O-N 3.24Å; Q999-L1002 PolarHBondContact O-N 2.99Å; Q999-K1003 PolarHBondContact O-N 3.14Å
1000	A	76.5	Confident	77.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-32.1	176	0	0	0	0	0	112.1	S986 L989 A990 I995 T996 E998 A1004	S986-A1000 WeakPolarHBondContact O-CB 3.29Å; S986-A1000 PolarHBondContact OG-O 2.99Å; L989-A1000 HydrophobicContact CB-CB 4.04Å; A990-A1000 HydrophobicContact CB-CB 3.78Å; I995-A1000 HydrophobicContact CD1-CB 3.81Å; I995-A1000 HydrophobicContact CG1-CB 3.94Å; T996-A1000 WeakPolarHBondContact O-CB 3.35Å; T996-A1000 PolarHBondContact O-N 3.09Å; E998-A1000 PolarHBondContact O-N 2.76Å; A1000-A1004 WeakPolarHBondContact O-CB 3.33Å; A1000-A1004 PolarHBondContact O-N 3.37Å
1001	S	78.7	Confident	78.6	Confident	35 Å²	35	42 Å²	42	25%	0.245	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-43.1	171.9	-166.1	0	0	0	0	112.2	S986 P997 E998 Q999 A1004 K1005	S986-S1001 VanDerWaalsContact OG-CA 3.26Å; S986-S1001 WeakPolarHBondContact OG-CA 3.42Å; P997-S1001 WeakPolarHBondContact O-CB 3.27Å; P997-S1001 PolarHBondContact O-N 2.96Å; E998-S1001 WeakPolarHBondContact O-CA 3.41Å; E998-S1001 WeakPolarHBondContact O-CB 3.49Å; E998-S1001 PolarHBondContact O-N 3.45Å; E998-S1001 VanDerWaalsContact O-N 3.1Å; Q999-S1001 VanDerWaalsContact C-N 3.27Å; Q999-S1001 PolarHBondContact O-N 3.24Å; S1001-A1004 PolarHBondContact O-N 3.42Å; S1001-K1005 WeakPolarHBondContact O-CB 3.26Å; S1001-K1005 VanDerWaalsContact O-CG 3.28Å; S1001-K1005 WeakPolarHBondContact O-CG 3.35Å; S1001-K1005 PolarHBondContact O-N 2.8Å
1002	L	82.9	Confident	79.4	Confident	60 Å²	60	40.4 Å²	40.4	31%	0.314	20%	0.203	S	C	.	.	H	α-helix	trans	-66.1	-48.9	175.4	-71.9	167.2	0	0	0	111.9	I638 L718 E998 Q999 A1004 K1005 Q1006	I638-L1002 HydrophobicContact CD1-CD1 3.79Å; I638-L1002 HydrophobicContact CD1-CD2 4.07Å; L718-L1002 HydrophobicContact CB-CD1 4.07Å; L718-L1002 VanDerWaalsContact O-CD1 3.22Å; L718-L1002 WeakPolarHBondContact O-CD1 3.28Å; E998-L1002 PolarHBondContact O-N 2.89Å; Q999-L1002 PolarHBondContact O-N 2.99Å; L1002-A1004 VanDerWaalsContact C-N 3.29Å; L1002-A1004 PolarHBondContact O-N 3.2Å; L1002-K1005 PolarHBondContact O-N 3.38Å; L1002-K1005 VanDerWaalsContact O-N 3.15Å; L1002-Q1006 WeakPolarHBondContact O-CB 3.42Å; L1002-Q1006 PolarHBondContact O-N 2.89Å
1003	K	85.7	Confident	80	Confident	45 Å²	45	38.8 Å²	38.8	20%	0.196	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-40.1	174.6	-79.1	-162.9	174.5	-174.6	0	111.5	M962 L989 I995 Q999 Q1006 L1007	M962-K1003 PolarHBondContact O-NZ 3.27Å; M962-K1003 HydrophobicContact SD-CB 4.3Å; L989-K1003 HydrophobicContact CD1-CB 4Å; I995-K1003 HydrophobicContact CD1-CD 3.9Å; I995-K1003 HydrophobicContact CD1-CG 4.47Å; Q999-K1003 PolarHBondContact O-N 3.14Å; K1003-Q1006 PolarHBondContact O-N 2.95Å; K1003-L1007 VanDerWaalsContact O-CB 3.32Å; K1003-L1007 WeakPolarHBondContact O-CB 3.38Å; K1003-L1007 PolarHBondContact O-N 3.29Å
1004	A	88.8	Confident	81	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-44.9	174.2	0	0	0	0	0	111.6	I982 A985 S986 L989 A1000 S1001 L1002 Q1006 L1007 F1008	I982-A1004 HydrophobicContact CG2-CB 3.85Å; A985-A1004 HydrophobicContact CB-CB 4.09Å; S986-A1004 WeakPolarHBondContact OG-CB 3.33Å; L989-A1004 HydrophobicContact CD1-CB 4.03Å; A1000-A1004 WeakPolarHBondContact O-CB 3.33Å; A1000-A1004 PolarHBondContact O-N 3.37Å; S1001-A1004 PolarHBondContact O-N 3.42Å; L1002-A1004 VanDerWaalsContact C-N 3.29Å; L1002-A1004 PolarHBondContact O-N 3.2Å; A1004-Q1006 PolarHBondContact O-N 2.96Å; A1004-L1007 WeakPolarHBondContact O-CB 3.32Å; A1004-L1007 PolarHBondContact O-N 2.93Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.46Å; A1004-F1008 PolarHBondContact O-N 3.02Å
1005	K	89.4	Confident	82	Confident	110 Å²	110	46.5 Å²	46.5	48%	0.478	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-44.4	175.4	-74.6	171.8	-174.2	177.1	0	111.7	I982 S1001 L1002 F1008 Q1009	I982-K1005 HydrophobicContact CD1-CG 4.33Å; I982-K1005 HydrophobicContact CG2-CG 4.13Å; S1001-K1005 WeakPolarHBondContact O-CB 3.26Å; S1001-K1005 VanDerWaalsContact O-CG 3.28Å; S1001-K1005 WeakPolarHBondContact O-CG 3.35Å; S1001-K1005 PolarHBondContact O-N 2.8Å; L1002-K1005 PolarHBondContact O-N 3.38Å; L1002-K1005 VanDerWaalsContact O-N 3.15Å; K1005-F1008 PolarHBondContact O-N 3.4Å; K1005-Q1009 WeakPolarHBondContact O-CB 3.23Å; K1005-Q1009 PolarHBondContact O-N 2.86Å
1006	Q	89	Confident	83.1	Confident	84 Å²	84	47.9 Å²	47.9	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-47.9	174.8	-179.7	-179.3	-4.2	0	0	111.1	E961 M962 L1002 K1003 A1004 F1008 Q1009 I1010	E961-Q1006 PolarHBondContact OE1-NE2 3.11Å; M962-Q1006 HydrophobicContact CE-CG 4.39Å; L1002-Q1006 WeakPolarHBondContact O-CB 3.42Å; L1002-Q1006 PolarHBondContact O-N 2.89Å; K1003-Q1006 PolarHBondContact O-N 2.95Å; A1004-Q1006 PolarHBondContact O-N 2.96Å; Q1006-F1008 PolarHBondContact O-N 2.98Å; Q1006-Q1009 PolarHBondContact O-N 3.23Å; Q1006-Q1009 VanDerWaalsContact O-N 3.16Å; Q1006-I1010 HydrophobicContact CG-CD1 3.71Å; Q1006-I1010 HydrophobicContact CG-CG1 4.41Å; Q1006-I1010 WeakPolarHBondContact O-CG1 3.18Å; Q1006-I1010 PolarHBondContact O-N 3.04Å
1007	L	90.6	Very high	84.3	Confident	1 Å²	1	53 Å²	53	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-54.4	-51.6	176.2	176.2	64.1	0	0	0	111.5	I958 M962 L972 K1003 A1004 Q1009 I1010 T1011	I958-L1007 HydrophobicContact CD1-CD1 3.94Å; I958-L1007 HydrophobicContact CG2-CD1 3.73Å; M962-L1007 HydrophobicContact CE-CB 4.23Å; M962-L1007 HydrophobicContact CG-CD1 4.19Å; M962-L1007 HydrophobicContact SD-CB 3.79Å; M962-L1007 HydrophobicContact SD-CD1 4.26Å; M962-L1007 HydrophobicContact SD-CG 4.44Å; L972-L1007 HydrophobicContact CD1-CD2 4.34Å; L972-L1007 HydrophobicContact CD2-CD2 3.64Å; L972-L1007 HydrophobicContact CG-CD2 3.93Å; K1003-L1007 VanDerWaalsContact O-CB 3.32Å; K1003-L1007 WeakPolarHBondContact O-CB 3.38Å; K1003-L1007 PolarHBondContact O-N 3.29Å; A1004-L1007 WeakPolarHBondContact O-CB 3.32Å; A1004-L1007 PolarHBondContact O-N 2.93Å; L1007-Q1009 VanDerWaalsContact C-N 3.3Å; L1007-Q1009 PolarHBondContact O-N 3.17Å; L1007-I1010 PolarHBondContact O-N 2.96Å; L1007-T1011 HydrophobicContact CD1-CG2 3.99Å; L1007-T1011 WeakPolarHBondContact O-CB 2.97Å; L1007-T1011 WeakPolarHBondContact O-CG2 3.09Å; L1007-T1011 PolarHBondContact O-N 3.29Å; L1007-T1011 PolarHBondContact O-OG1 3.16Å
1008	F	91	Very high	84.7	Confident	30 Å²	30	52.8 Å²	52.8	13%	0.132	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-34.2	179.8	-85.5	-105.8	0	0	0	112.3	R976 S980 I982 A985 A1004 K1005 Q1006 T1011 K1012 G1013	R976-F1008 HydrophobicContact CB-CZ 4.47Å; R976-F1008 HydrophobicContact CG-CD1 4.44Å; R976-F1008 HydrophobicContact CG-CD2 4.49Å; R976-F1008 HydrophobicContact CG-CE1 3.76Å; R976-F1008 HydrophobicContact CG-CE2 3.86Å; R976-F1008 HydrophobicContact CG-CZ 3.47Å; R976-F1008 VanDerWaalsContact CG-CZ 3.47Å; S980-F1008 WeakPolarHBondContact O-CZ 3.13Å; I982-F1008 HydrophobicContact CG1-CD1 4.19Å; I982-F1008 HydrophobicContact CG1-CD2 3.93Å; I982-F1008 HydrophobicContact CG1-CE1 4.31Å; I982-F1008 HydrophobicContact CG1-CE2 4.02Å; I982-F1008 HydrophobicContact CG1-CG 3.97Å; I982-F1008 HydrophobicContact CG1-CZ 4.19Å; A985-F1008 HydrophobicContact CB-CE2 3.74Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.46Å; A1004-F1008 PolarHBondContact O-N 3.02Å; K1005-F1008 PolarHBondContact O-N 3.4Å; Q1006-F1008 PolarHBondContact O-N 2.98Å; F1008-T1011 WeakPolarHBondContact CA-OG1 3.15Å; F1008-K1012 WeakPolarHBondContact O-CA 3.4Å; F1008-K1012 WeakPolarHBondContact O-CB 3.17Å; F1008-K1012 PolarHBondContact O-N 3.15Å; F1008-G1013 PolarHBondContact O-N 2.87Å
1009	Q	89.6	Confident	84.7	Confident	92 Å²	92	54 Å²	54	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-70	-39.8	177	-170.2	176.1	-21.8	0	0	112.2	K1005 Q1006 L1007 G1013 R1014	K1005-Q1009 WeakPolarHBondContact O-CB 3.23Å; K1005-Q1009 PolarHBondContact O-N 2.86Å; Q1006-Q1009 PolarHBondContact O-N 3.23Å; Q1006-Q1009 VanDerWaalsContact O-N 3.16Å; L1007-Q1009 VanDerWaalsContact C-N 3.3Å; L1007-Q1009 PolarHBondContact O-N 3.17Å; Q1009-G1013 VanDerWaalsContact O-CA 3.23Å; Q1009-G1013 WeakPolarHBondContact O-CA 3.5Å; Q1009-G1013 PolarHBondContact O-N 3.23Å; Q1009-R1014 HydrophobicContact CG-CG 4.48Å
1010	I	88.9	Confident	83.9	Confident	50 Å²	50	57.1 Å²	57.1	26%	0.256	28%	0.282	S	S	.	.	H	α-helix	trans	-70	-36.9	176.5	-66.6	169.9	0	0	0	111.1	E961 Q1006 L1007 G1037 S1038	E961-I1010 HydrophobicContact CG-CD1 3.72Å; E961-I1010 WeakPolarHBondContact OE1-CD1 3.43Å; Q1006-I1010 HydrophobicContact CG-CD1 3.71Å; Q1006-I1010 HydrophobicContact CG-CG1 4.41Å; Q1006-I1010 WeakPolarHBondContact O-CG1 3.18Å; Q1006-I1010 PolarHBondContact O-N 3.04Å; L1007-I1010 PolarHBondContact O-N 2.96Å; I1010-G1037 CarbonylContact O-C 3.56Å; I1010-G1037 VanDerWaalsContact O-CA 3.26Å; I1010-G1037 WeakPolarHBondContact O-CA 3.37Å; I1010-S1038 PolarHBondContact O-N 2.84Å
1011	T	91.1	Very high	82.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-90.4	-67.2	-175.7	54.9	0	0	0	0	112.6	I958 R976 L1007 F1008 G1037 S1038 E1039	I958-T1011 HydrophobicContact CD1-CG2 3.69Å; R976-T1011 VanDerWaalsContact CZ-CB 3.5Å; R976-T1011 PolarHBondContact NE-OG1 3.37Å; R976-T1011 PolarHBondContact NH1-OG1 2.93Å; L1007-T1011 HydrophobicContact CD1-CG2 3.99Å; L1007-T1011 WeakPolarHBondContact O-CB 2.97Å; L1007-T1011 WeakPolarHBondContact O-CG2 3.09Å; L1007-T1011 PolarHBondContact O-N 3.29Å; L1007-T1011 PolarHBondContact O-OG1 3.16Å; F1008-T1011 WeakPolarHBondContact CA-OG1 3.15Å; T1011-G1037 CarbonylContact O-C 3.58Å; T1011-G1037 WeakPolarHBondContact O-CA 3.4Å; T1011-S1038 PolarHBondContact O-N 3.17Å; T1011-E1039 WeakPolarHBondContact O-CA 3.39Å; T1011-E1039 WeakPolarHBondContact O-CB 3.41Å; T1011-E1039 PolarHBondContact O-N 3.47Å
1012	K	89.8	Confident	81.3	Confident	33 Å²	33	67.5 Å²	67.5	14%	0.143	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-29.9	-176.9	-166	167	-167.2	-170.2	0	112.5	F1008 W1034 S1040 F1043 E1047	F1008-K1012 WeakPolarHBondContact O-CA 3.4Å; F1008-K1012 WeakPolarHBondContact O-CB 3.17Å; F1008-K1012 PolarHBondContact O-N 3.15Å; K1012-W1034 HydrophobicContact CD-CD2 4.19Å; K1012-W1034 HydrophobicContact CD-CE3 4.36Å; K1012-W1034 HydrophobicContact CD-CH2 4.16Å; K1012-W1034 HydrophobicContact CD-CZ2 3.98Å; K1012-W1034 HydrophobicContact CD-CZ3 4.34Å; K1012-W1034 VanDerWaalsContact CE-NE1 3.34Å; K1012-W1034 HydrophobicContact CG-CD2 3.79Å; K1012-W1034 HydrophobicContact CG-CE3 3.83Å; K1012-W1034 HydrophobicContact CG-CG 4.23Å; K1012-W1034 HydrophobicContact CG-CH2 4.49Å; K1012-W1034 HydrophobicContact CG-CZ2 4.46Å; K1012-W1034 HydrophobicContact CG-CZ3 4.18Å; K1012-W1034 WeakPolarHBondContact O-CB 3.47Å; K1012-S1040 PolarHBondContact O-OG 2.87Å; K1012-F1043 HydrophobicContact CB-CD2 4.11Å; K1012-F1043 HydrophobicContact CB-CE2 4.04Å; K1012-F1043 HydrophobicContact CD-CD1 4.15Å; K1012-F1043 HydrophobicContact CD-CD2 4.02Å; K1012-F1043 HydrophobicContact CD-CE1 4.23Å; K1012-F1043 HydrophobicContact CD-CE2 4.1Å; K1012-F1043 HydrophobicContact CD-CG 4.03Å; K1012-F1043 HydrophobicContact CD-CZ 4.2Å; K1012-F1043 VanDerWaalsContact CE-CD1 3.41Å; K1012-F1043 VanDerWaalsContact CE-CG 3.42Å; K1012-F1043 HydrophobicContact CG-CB 4.37Å; K1012-F1043 HydrophobicContact CG-CD2 3.57Å; K1012-F1043 HydrophobicContact CG-CE2 3.87Å; K1012-F1043 HydrophobicContact CG-CG 3.92Å; K1012-F1043 HydrophobicContact CG-CZ 4.48Å; K1012-E1047 IonicContact NZ-OE1 3.86Å; K1012-E1047 PolarHBondContact NZ-OE1 2.99Å
1013	G	90.6	Very high	79.7	Confident	9 Å²	9	65.9 Å²	65.9	9%	0.093	33%	0.329	C	S	.	.			trans	90	-159.8	-180	0	0	0	0	0	113.3	F1008 Q1009 Q1035	F1008-G1013 PolarHBondContact O-N 2.87Å; Q1009-G1013 VanDerWaalsContact O-CA 3.23Å; Q1009-G1013 WeakPolarHBondContact O-CA 3.5Å; Q1009-G1013 PolarHBondContact O-N 3.23Å; G1013-Q1035 CarbonylContact C-O 3.51Å; G1013-Q1035 WeakPolarHBondContact CA-O 3.24Å
1014	R	90.4	Very high	78	Confident	164 Å²	164	72.2 Å²	72.2	62%	0.619	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.1	174.9	-67.1	-178.6	-179.9	174.9	-0.5	110.4	Q1009 W1034 Q1035	Q1009-R1014 HydrophobicContact CG-CG 4.48Å; R1014-W1034 CarbonylContact O-C 3.47Å; R1014-W1034 WeakPolarHBondContact O-CA 3.39Å; R1014-Q1035 PolarHBondContact N-O 2.94Å; R1014-Q1035 PolarHBondContact O-N 3Å
1015	R	88.3	Confident	76.2	Confident	110 Å²	110	78.5 Å²	78.5	42%	0.415	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.5	173.6	-130.3	179.9	-165.9	-160.1	-1.8	109.3	S1032 K1033 W1034 E1047	R1015-S1032 WeakPolarHBondContact CD-OG 3.28Å; R1015-S1032 PolarHBondContact NE-OG 3.13Å; R1015-S1032 PolarHBondContact NH1-OG 3.02Å; R1015-K1033 CarbonylContact C-O 3.56Å; R1015-K1033 WeakPolarHBondContact CA-O 3.43Å; R1015-W1034 HydrophobicContact CB-CE3 4.18Å; R1015-W1034 HydrophobicContact CB-CH2 4.28Å; R1015-W1034 HydrophobicContact CB-CZ3 4.07Å; R1015-W1034 HydrophobicContact CG-CD2 4.01Å; R1015-W1034 HydrophobicContact CG-CE3 4.2Å; R1015-W1034 HydrophobicContact CG-CH2 4.23Å; R1015-W1034 HydrophobicContact CG-CZ2 4.04Å; R1015-W1034 HydrophobicContact CG-CZ3 4.31Å; R1015-E1047 IonicContact CZ-OE2 2.86Å; R1015-E1047 IonicContact NH2-OE2 2.86Å; R1015-E1047 PolarHBondContact NH2-OE2 3.21Å
1016	T	87.2	Confident	74.1	Confident	49 Å²	49	76.7 Å²	76.7	30%	0.301	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.2	174.9	38.1	0	0	0	0	109.4	S1032 K1033 Q1035	T1016-S1032 CarbonylContact O-C 3.43Å; T1016-S1032 VanDerWaalsContact O-CA 3.25Å; T1016-S1032 WeakPolarHBondContact O-CA 3.39Å; T1016-K1033 PolarHBondContact N-O 2.84Å; T1016-K1033 PolarHBondContact O-N 3.3Å; T1016-K1033 PolarHBondContact OG1-O 3.42Å; T1016-Q1035 PolarHBondContact OG1-OE1 2.87Å
1017	I	82.9	Confident	71.8	Confident	121 Å²	121	76.8 Å²	76.8	62%	0.621	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.4	173	-60.9	169.4	0	0	0	106.7
1018	V	72.8	Confident	69.5	Low	54 Å²	54	80.7 Å²	80.7	33%	0.327	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-50.8	-176.1	-173.9	0	0	0	0	111.1	T1031 K1033	V1018-T1031 PolarHBondContact N-O 3.17Å; V1018-K1033 HydrophobicContact CB-CD 4.08Å; V1018-K1033 HydrophobicContact CB-CG 4.26Å; V1018-K1033 HydrophobicContact CG1-CD 4.29Å; V1018-K1033 VanDerWaalsContact CG1-NZ 3.34Å; V1018-K1033 HydrophobicContact CG2-CB 3.85Å; V1018-K1033 HydrophobicContact CG2-CD 3.55Å; V1018-K1033 HydrophobicContact CG2-CG 3.49Å; V1018-K1033 VanDerWaalsContact CG2-CG 3.49Å
1019	D	64	Low	67.6	Low	68 Å²	68	84.7 Å²	84.7	36%	0.364	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.9	179.3	-55.8	-58.6	0	0	0	110.4	F1021 S1030 T1031	D1019-F1021 HydrophobicContact CB-CD2 4.04Å; D1019-F1021 HydrophobicContact CB-CE2 3.41Å; D1019-F1021 VanDerWaalsContact CB-CE2 3.41Å; D1019-F1021 HydrophobicContact CB-CZ 3.87Å; D1019-S1030 WeakPolarHBondContact O-CA 3.47Å; D1019-T1031 PolarHBondContact N-OG1 3.05Å; D1019-T1031 PolarHBondContact O-N 3.25Å; D1019-T1031 PolarHBondContact O-OG1 3.31Å
1020	S	53.1	Low	66	Low	85 Å²	85	83 Å²	83	59%	0.594	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	99.9	170.3	52.5	0	0	0	0	108.5
1021	F	54.5	Low	65.1	Low	130 Å²	130	83.2 Å²	83.2	57%	0.57	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.1	173.1	-63.9	-73.3	0	0	0	109.7	D1019 S1023 I1029	D1019-F1021 HydrophobicContact CB-CD2 4.04Å; D1019-F1021 HydrophobicContact CB-CE2 3.41Å; D1019-F1021 VanDerWaalsContact CB-CE2 3.41Å; D1019-F1021 HydrophobicContact CB-CZ 3.87Å; F1021-S1023 PolarHBondContact O-N 2.84Å; F1021-I1029 PolarHBondContact O-N 3.22Å
1022	P	46.8	Very low	64.7	Low	122 Å²	122	85 Å²	85	79%	0.792	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-65	126.5	165.1	-5.4	20.1	0	0	0	108.4
1023	S	49.4	Very low	64.7	Low	26 Å²	26	87.6 Å²	87.6	18%	0.182	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-86.7	152.8	163	62.8	0	0	0	0	109.4	F1021 D1025 G1026 T1027	F1021-S1023 PolarHBondContact O-N 2.84Å; S1023-D1025 PolarHBondContact O-N 3.13Å; S1023-D1025 VanDerWaalsContact O-N 3.08Å; S1023-G1026 PolarHBondContact O-N 3.35Å; S1023-G1026 VanDerWaalsContact O-N 3.07Å; S1023-T1027 WeakPolarHBondContact CB-O 3.48Å; S1023-T1027 VanDerWaalsContact OG-C 3.24Å; S1023-T1027 WeakPolarHBondContact OG-CA 3.48Å; S1023-T1027 PolarHBondContact OG-N 3.11Å; S1023-T1027 PolarHBondContact OG-O 3.33Å; S1023-T1027 PolarHBondContact OG-OG1 2.97Å; S1023-T1027 VanDerWaalsContact OG-OG1 3.14Å
1024	D	50.7	Low	64.7	Low	179 Å²	179	89.3 Å²	89.3	96%	0.957	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.4	177.1	-80.8	-27	0	0	0	112.7
1025	D	51	Low	64.7	Low	131 Å²	131	86.6 Å²	86.6	70%	0.701	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.5	-179.9	-25.5	36.7	0	0	0	113.1	S1023 T1027	S1023-D1025 PolarHBondContact O-N 3.13Å; S1023-D1025 VanDerWaalsContact O-N 3.08Å; D1025-T1027 VanDerWaalsContact C-N 3.3Å; D1025-T1027 PolarHBondContact O-N 2.86Å
1026	G	43.7	Very low	64.7	Low	73 Å²	73	83.3 Å²	83.3	75%	0.753	49%	0.491	S	S	*	.	S	Bend	trans	76.1	10.1	-174.6	0	0	0	0	0	114.8	S1023	S1023-G1026 PolarHBondContact O-N 3.35Å; S1023-G1026 VanDerWaalsContact O-N 3.07Å
1027	T	41.9	Very low	64.8	Low	86 Å²	86	81.2 Å²	81.2	53%	0.528	48%	0.479	S	S	.	.			trans	-104.1	104.6	177.2	51.5	0	0	0	0	111.3	S1023 D1025 I1029	S1023-T1027 WeakPolarHBondContact CB-O 3.48Å; S1023-T1027 VanDerWaalsContact OG-C 3.24Å; S1023-T1027 WeakPolarHBondContact OG-CA 3.48Å; S1023-T1027 PolarHBondContact OG-N 3.11Å; S1023-T1027 PolarHBondContact OG-O 3.33Å; S1023-T1027 PolarHBondContact OG-OG1 2.97Å; S1023-T1027 VanDerWaalsContact OG-OG1 3.14Å; D1025-T1027 VanDerWaalsContact C-N 3.3Å; D1025-T1027 PolarHBondContact O-N 2.86Å; T1027-I1029 PolarHBondContact O-N 3.35Å
1028	S	41.8	Very low	65.1	Low	82 Å²	82	75.8 Å²	75.8	57%	0.573	45%	0.452	S	S	*	.			trans	-62.4	112.2	178.8	112.4	0	0	0	0	110.5	S1030	S1028-S1030 PolarHBondContact O-N 3.15Å; S1028-S1030 VanDerWaalsContact O-N 3.15Å
1029	I	50.4	Low	66.1	Low	114 Å²	114	73.2 Å²	73.2	59%	0.585	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	94.3	170.3	-64.2	173.3	0	0	0	106.2	F1021 T1027	F1021-I1029 PolarHBondContact O-N 3.22Å; T1027-I1029 PolarHBondContact O-N 3.35Å
1030	S	56.6	Low	67.4	Low	57 Å²	57	70.3 Å²	70.3	40%	0.399	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.8	174.2	70.4	0	0	0	0	109.8	D1019 S1028	D1019-S1030 WeakPolarHBondContact O-CA 3.47Å; S1028-S1030 PolarHBondContact O-N 3.15Å; S1028-S1030 VanDerWaalsContact O-N 3.15Å
1031	T	69.7	Low	69.3	Low	55 Å²	55	68 Å²	68	34%	0.337	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.3	172.6	58.2	0	0	0	0	109.1	V1018 D1019	V1018-T1031 PolarHBondContact N-O 3.17Å; D1019-T1031 PolarHBondContact N-OG1 3.05Å; D1019-T1031 PolarHBondContact O-N 3.25Å; D1019-T1031 PolarHBondContact O-OG1 3.31Å
1032	S	83	Confident	71.1	Confident	38 Å²	38	61.8 Å²	61.8	27%	0.266	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.3	-179.4	70	0	0	0	0	111	R1015 T1016	R1015-S1032 WeakPolarHBondContact CD-OG 3.28Å; R1015-S1032 PolarHBondContact NE-OG 3.13Å; R1015-S1032 PolarHBondContact NH1-OG 3.02Å; T1016-S1032 CarbonylContact O-C 3.43Å; T1016-S1032 VanDerWaalsContact O-CA 3.25Å; T1016-S1032 WeakPolarHBondContact O-CA 3.39Å
1033	K	89.3	Confident	73.3	Confident	86 Å²	86	56.4 Å²	56.4	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.9	178.8	-50.9	-175.1	-160.8	168.6	0	109.6	R1015 T1016 V1018	R1015-K1033 CarbonylContact C-O 3.56Å; R1015-K1033 WeakPolarHBondContact CA-O 3.43Å; T1016-K1033 PolarHBondContact N-O 2.84Å; T1016-K1033 PolarHBondContact O-N 3.3Å; T1016-K1033 PolarHBondContact OG1-O 3.42Å; V1018-K1033 HydrophobicContact CB-CD 4.08Å; V1018-K1033 HydrophobicContact CB-CG 4.26Å; V1018-K1033 HydrophobicContact CG1-CD 4.29Å; V1018-K1033 VanDerWaalsContact CG1-NZ 3.34Å; V1018-K1033 HydrophobicContact CG2-CB 3.85Å; V1018-K1033 HydrophobicContact CG2-CD 3.55Å; V1018-K1033 HydrophobicContact CG2-CG 3.49Å; V1018-K1033 VanDerWaalsContact CG2-CG 3.49Å
1034	W	91.2	Very high	75.4	Confident	45 Å²	45	57.3 Å²	57.3	17%	0.17	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.7	171.9	-64.2	99.8	0	0	0	110.3	K1012 R1014 R1015 S1040 N1044 E1047	K1012-W1034 HydrophobicContact CD-CD2 4.19Å; K1012-W1034 HydrophobicContact CD-CE3 4.36Å; K1012-W1034 HydrophobicContact CD-CH2 4.16Å; K1012-W1034 HydrophobicContact CD-CZ2 3.98Å; K1012-W1034 HydrophobicContact CD-CZ3 4.34Å; K1012-W1034 VanDerWaalsContact CE-NE1 3.34Å; K1012-W1034 HydrophobicContact CG-CD2 3.79Å; K1012-W1034 HydrophobicContact CG-CE3 3.83Å; K1012-W1034 HydrophobicContact CG-CG 4.23Å; K1012-W1034 HydrophobicContact CG-CH2 4.49Å; K1012-W1034 HydrophobicContact CG-CZ2 4.46Å; K1012-W1034 HydrophobicContact CG-CZ3 4.18Å; K1012-W1034 WeakPolarHBondContact O-CB 3.47Å; R1014-W1034 CarbonylContact O-C 3.47Å; R1014-W1034 WeakPolarHBondContact O-CA 3.39Å; R1015-W1034 HydrophobicContact CB-CE3 4.18Å; R1015-W1034 HydrophobicContact CB-CH2 4.28Å; R1015-W1034 HydrophobicContact CB-CZ3 4.07Å; R1015-W1034 HydrophobicContact CG-CD2 4.01Å; R1015-W1034 HydrophobicContact CG-CE3 4.2Å; R1015-W1034 HydrophobicContact CG-CH2 4.23Å; R1015-W1034 HydrophobicContact CG-CZ2 4.04Å; R1015-W1034 HydrophobicContact CG-CZ3 4.31Å; W1034-S1040 WeakPolarHBondContact O-CB 3.2Å; W1034-N1044 WeakPolarHBondContact CB-OD1 3.26Å; W1034-N1044 PolarHBondContact N-OD1 2.69Å; W1034-N1044 PolarHBondContact O-ND2 3.42Å; W1034-E1047 PolarHBondContact NE1-OE1 2.86Å; W1034-E1047 PolarHBondContact NE1-OE2 2.58Å
1035	Q	90.8	Very high	77.4	Confident	108 Å²	108	52 Å²	52	51%	0.505	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.7	178.8	-72.3	-179.9	-19.5	0	0	111.9	G1013 R1014 T1016	G1013-Q1035 CarbonylContact C-O 3.51Å; G1013-Q1035 WeakPolarHBondContact CA-O 3.24Å; R1014-Q1035 PolarHBondContact N-O 2.94Å; R1014-Q1035 PolarHBondContact O-N 3Å; T1016-Q1035 PolarHBondContact OG1-OE1 2.87Å
1036	G	87.3	Confident	79.5	Confident	41 Å²	41	45.8 Å²	45.8	42%	0.423	28%	0.284	S	S	.	.	S	Bend	trans	81.6	5.8	171.9	0	0	0	0	0	116	R71	R71-G1036 VanDerWaalsContact CZ-O 3.27Å; R71-G1036 PolarHBondContact NH1-O 3.23Å; R71-G1036 VanDerWaalsContact NH2-C 3.35Å; R71-G1036 PolarHBondContact NH2-O 2.86Å
1037	G	90.4	Very high	81.8	Confident	4 Å²	4	43 Å²	43	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	-108.1	151.9	172.4	0	0	0	0	0	112.2	I1010 T1011 E1039 S1040	I1010-G1037 CarbonylContact O-C 3.56Å; I1010-G1037 VanDerWaalsContact O-CA 3.26Å; I1010-G1037 WeakPolarHBondContact O-CA 3.37Å; T1011-G1037 CarbonylContact O-C 3.58Å; T1011-G1037 WeakPolarHBondContact O-CA 3.4Å; G1037-E1039 PolarHBondContact O-N 2.92Å; G1037-S1040 WeakPolarHBondContact CA-OG 3.26Å; G1037-S1040 PolarHBondContact N-OG 3.41Å; G1037-S1040 WeakPolarHBondContact O-CB 3.24Å; G1037-S1040 PolarHBondContact O-N 3.24Å; G1037-S1040 VanDerWaalsContact O-N 3.1Å; G1037-S1040 PolarHBondContact O-OG 3.32Å
1038	S	89.7	Confident	84.2	Confident	8 Å²	8	42.4 Å²	42.4	6%	0.056	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.9	179.5	62.8	0	0	0	0	114.6	Y939 I1010 T1011	Y939-S1038 WeakPolarHBondContact CB-O 3.46Å; Y939-S1038 PolarHBondContact N-O 2.85Å; I1010-S1038 PolarHBondContact O-N 2.84Å; T1011-S1038 PolarHBondContact O-N 3.17Å
1039	E	92.1	Very high	86.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	6.1	-176.6	-65.6	167.7	-158.5	0	0	112.7	Y939 R976 T1011 G1037 A1041 V1042 F1043	Y939-E1039 HydrophobicContact CD2-CG 3.39Å; Y939-E1039 HydrophobicContact CE2-CG 3.96Å; Y939-E1039 HydrophobicContact CG-CG 3.99Å; R976-E1039 IonicContact CZ-OE1 3.5Å; R976-E1039 IonicContact CZ-OE2 2.98Å; R976-E1039 IonicContact NH1-OE1 3.64Å; R976-E1039 IonicContact NH1-OE2 3.59Å; R976-E1039 PolarHBondContact NH1-OE2 3.02Å; R976-E1039 IonicContact NH2-OE1 2.65Å; R976-E1039 PolarHBondContact NH2-OE1 2.79Å; R976-E1039 IonicContact NH2-OE2 3.04Å; R976-E1039 PolarHBondContact NH2-OE2 3.32Å; T1011-E1039 WeakPolarHBondContact O-CA 3.39Å; T1011-E1039 WeakPolarHBondContact O-CB 3.41Å; T1011-E1039 PolarHBondContact O-N 3.47Å; G1037-E1039 PolarHBondContact O-N 2.92Å; E1039-A1041 VanDerWaalsContact C-N 3.26Å; E1039-A1041 PolarHBondContact O-N 2.99Å; E1039-V1042 WeakPolarHBondContact O-CB 3.49Å; E1039-V1042 PolarHBondContact O-N 3.21Å; E1039-V1042 VanDerWaalsContact O-N 3.08Å; E1039-F1043 HydrophobicContact CB-CD2 3.9Å; E1039-F1043 HydrophobicContact CB-CE2 3.89Å; E1039-F1043 WeakPolarHBondContact O-CD2 3.49Å; E1039-F1043 PolarHBondContact O-N 3.47Å; E1039-F1043 WeakPolarHBondContact OE2-CE2 3.45Å
1040	S	92.6	Very high	88.8	Confident	7 Å²	7	34.7 Å²	34.7	5%	0.049	20%	0.203	C	C	.	.	H	α-helix	trans	-54.8	-42.6	-177.1	-69	0	0	0	0	112.2	K1012 W1034 G1037 V1042 F1043 N1044	K1012-S1040 PolarHBondContact O-OG 2.87Å; W1034-S1040 WeakPolarHBondContact O-CB 3.2Å; G1037-S1040 WeakPolarHBondContact CA-OG 3.26Å; G1037-S1040 PolarHBondContact N-OG 3.41Å; G1037-S1040 WeakPolarHBondContact O-CB 3.24Å; G1037-S1040 PolarHBondContact O-N 3.24Å; G1037-S1040 VanDerWaalsContact O-N 3.1Å; G1037-S1040 PolarHBondContact O-OG 3.32Å; S1040-V1042 PolarHBondContact O-N 3.18Å; S1040-F1043 PolarHBondContact O-N 3.32Å; S1040-N1044 WeakPolarHBondContact O-CB 3.5Å; S1040-N1044 PolarHBondContact O-N 3.03Å; S1040-N1044 PolarHBondContact O-ND2 3.15Å; S1040-N1044 VanDerWaalsContact O-ND2 3.14Å
1041	A	92.4	Very high	90.6	Very high	36 Å²	36	36.6 Å²	36.6	30%	0.298	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-45.7	176.9	0	0	0	0	0	112.4	T937 E1039 N1044 Q1045	T937-A1041 HydrophobicContact CG2-CB 3.57Å; E1039-A1041 VanDerWaalsContact C-N 3.26Å; E1039-A1041 PolarHBondContact O-N 2.99Å; A1041-N1044 PolarHBondContact O-N 3.5Å; A1041-Q1045 WeakPolarHBondContact O-CG 3.5Å; A1041-Q1045 PolarHBondContact O-N 2.65Å; A1041-Q1045 VanDerWaalsContact O-N 3.13Å
1042	V	92.7	Very high	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-52.1	177.5	176.3	0	0	0	0	110.4	A923 Y939 E1039 S1040 N1044 Q1045 L1046	A923-V1042 HydrophobicContact CB-CG1 4.01Å; Y939-V1042 HydrophobicContact CD1-CG2 3.73Å; Y939-V1042 HydrophobicContact CE1-CG2 4.32Å; Y939-V1042 HydrophobicContact CG-CG2 4.17Å; E1039-V1042 WeakPolarHBondContact O-CB 3.49Å; E1039-V1042 PolarHBondContact O-N 3.21Å; E1039-V1042 VanDerWaalsContact O-N 3.08Å; S1040-V1042 PolarHBondContact O-N 3.18Å; V1042-N1044 VanDerWaalsContact C-N 3.3Å; V1042-N1044 PolarHBondContact O-N 3.09Å; V1042-Q1045 PolarHBondContact O-N 2.86Å; V1042-L1046 HydrophobicContact CG1-CD1 3.71Å; V1042-L1046 HydrophobicContact CG1-CG 4.14Å; V1042-L1046 VanDerWaalsContact O-CG 3.3Å; V1042-L1046 WeakPolarHBondContact O-CG 3.42Å; V1042-L1046 PolarHBondContact O-N 3.35Å
1043	F	92.1	Very high	92.2	Very high	8 Å²	8	38 Å²	38	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-33.2	-179.1	-78.3	-73.2	0	0	0	113.3	K1012 E1039 S1040 E1047	K1012-F1043 HydrophobicContact CB-CD2 4.11Å; K1012-F1043 HydrophobicContact CB-CE2 4.04Å; K1012-F1043 HydrophobicContact CD-CD1 4.15Å; K1012-F1043 HydrophobicContact CD-CD2 4.02Å; K1012-F1043 HydrophobicContact CD-CE1 4.23Å; K1012-F1043 HydrophobicContact CD-CE2 4.1Å; K1012-F1043 HydrophobicContact CD-CG 4.03Å; K1012-F1043 HydrophobicContact CD-CZ 4.2Å; K1012-F1043 VanDerWaalsContact CE-CD1 3.41Å; K1012-F1043 VanDerWaalsContact CE-CG 3.42Å; K1012-F1043 HydrophobicContact CG-CB 4.37Å; K1012-F1043 HydrophobicContact CG-CD2 3.57Å; K1012-F1043 HydrophobicContact CG-CE2 3.87Å; K1012-F1043 HydrophobicContact CG-CG 3.92Å; K1012-F1043 HydrophobicContact CG-CZ 4.48Å; E1039-F1043 HydrophobicContact CB-CD2 3.9Å; E1039-F1043 HydrophobicContact CB-CE2 3.89Å; E1039-F1043 WeakPolarHBondContact O-CD2 3.49Å; E1039-F1043 PolarHBondContact O-N 3.47Å; E1039-F1043 WeakPolarHBondContact OE2-CE2 3.45Å; S1040-F1043 PolarHBondContact O-N 3.32Å; F1043-E1047 WeakPolarHBondContact O-CB 3.41Å; F1043-E1047 WeakPolarHBondContact O-CG 3.21Å; F1043-E1047 PolarHBondContact O-N 2.94Å
1044	N	93.3	Very high	92.4	Very high	45 Å²	45	37.3 Å²	37.3	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-45.7	174.7	-72.4	-24.7	0	0	0	111.5	W1034 S1040 A1041 V1042 S1048	W1034-N1044 WeakPolarHBondContact CB-OD1 3.26Å; W1034-N1044 PolarHBondContact N-OD1 2.69Å; W1034-N1044 PolarHBondContact O-ND2 3.42Å; S1040-N1044 WeakPolarHBondContact O-CB 3.5Å; S1040-N1044 PolarHBondContact O-N 3.03Å; S1040-N1044 PolarHBondContact O-ND2 3.15Å; S1040-N1044 VanDerWaalsContact O-ND2 3.14Å; A1041-N1044 PolarHBondContact O-N 3.5Å; V1042-N1044 VanDerWaalsContact C-N 3.3Å; V1042-N1044 PolarHBondContact O-N 3.09Å; N1044-S1048 VanDerWaalsContact O-CB 3.26Å; N1044-S1048 WeakPolarHBondContact O-CB 3.44Å; N1044-S1048 PolarHBondContact O-N 2.73Å
1045	Q	94	Very high	92.7	Very high	67 Å²	67	35.3 Å²	35.3	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-69.2	-44.3	178.9	-66.5	-63.1	-13.5	0	0	111.9	I926 A1041 V1042 S1048 I1049	I926-Q1045 HydrophobicContact CG2-CB 3.62Å; I926-Q1045 WeakPolarHBondContact O-CG 3.25Å; A1041-Q1045 WeakPolarHBondContact O-CG 3.5Å; A1041-Q1045 PolarHBondContact O-N 2.65Å; A1041-Q1045 VanDerWaalsContact O-N 3.13Å; V1042-Q1045 PolarHBondContact O-N 2.86Å; Q1045-S1048 WeakPolarHBondContact O-CB 3.47Å; Q1045-S1048 PolarHBondContact O-N 3.19Å; Q1045-I1049 WeakPolarHBondContact O-CG1 3.28Å; Q1045-I1049 PolarHBondContact O-N 2.96Å
1046	L	93.8	Very high	93	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-42.6	177.4	-63.2	178.4	0	0	0	112.4	I926 V1042 S1048 I1049 A1050 V1082 V1085 V1086	I926-L1046 HydrophobicContact CD1-CD2 4Å; I926-L1046 HydrophobicContact CG2-CD2 4.07Å; V1042-L1046 HydrophobicContact CG1-CD1 3.71Å; V1042-L1046 HydrophobicContact CG1-CG 4.14Å; V1042-L1046 VanDerWaalsContact O-CG 3.3Å; V1042-L1046 WeakPolarHBondContact O-CG 3.42Å; V1042-L1046 PolarHBondContact O-N 3.35Å; L1046-S1048 VanDerWaalsContact C-N 3.33Å; L1046-I1049 PolarHBondContact O-N 3.37Å; L1046-A1050 WeakPolarHBondContact O-CB 3.48Å; L1046-A1050 PolarHBondContact O-N 2.93Å; L1046-V1082 HydrophobicContact CB-CG1 4.01Å; L1046-V1082 HydrophobicContact CD1-CG1 4.3Å; L1046-V1085 HydrophobicContact CD2-CB 4.09Å; L1046-V1085 HydrophobicContact CD2-CG1 3.63Å; L1046-V1086 HydrophobicContact CD1-CG2 3.75Å; L1046-V1086 HydrophobicContact CD2-CG2 3.73Å; L1046-V1086 HydrophobicContact CG-CG2 4.42Å
1047	E	92.8	Very high	93.6	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.065	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-36.1	175	-76.5	-174.8	-154	0	0	111.3	K1012 R1015 W1034 F1043 A1050 R1051 V1082	K1012-E1047 IonicContact NZ-OE1 3.86Å; K1012-E1047 PolarHBondContact NZ-OE1 2.99Å; R1015-E1047 IonicContact CZ-OE2 2.86Å; R1015-E1047 IonicContact NH2-OE2 2.86Å; R1015-E1047 PolarHBondContact NH2-OE2 3.21Å; W1034-E1047 PolarHBondContact NE1-OE1 2.86Å; W1034-E1047 PolarHBondContact NE1-OE2 2.58Å; F1043-E1047 WeakPolarHBondContact O-CB 3.41Å; F1043-E1047 WeakPolarHBondContact O-CG 3.21Å; F1043-E1047 PolarHBondContact O-N 2.94Å; E1047-A1050 PolarHBondContact O-N 3.47Å; E1047-R1051 WeakPolarHBondContact O-CB 3.45Å; E1047-R1051 WeakPolarHBondContact O-CG 3.47Å; E1047-R1051 PolarHBondContact O-N 2.69Å; E1047-V1082 HydrophobicContact CG-CG2 3.89Å
1048	S	93	Very high	93.9	Very high	74 Å²	74	32.2 Å²	32.2	52%	0.517	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-51.6	174.4	-177.4	0	0	0	0	111.4	N1044 Q1045 L1046 R1051 S1052	N1044-S1048 VanDerWaalsContact O-CB 3.26Å; N1044-S1048 WeakPolarHBondContact O-CB 3.44Å; N1044-S1048 PolarHBondContact O-N 2.73Å; Q1045-S1048 WeakPolarHBondContact O-CB 3.47Å; Q1045-S1048 PolarHBondContact O-N 3.19Å; L1046-S1048 VanDerWaalsContact C-N 3.33Å; S1048-R1051 PolarHBondContact O-N 3.04Å; S1048-S1052 PolarHBondContact O-N 3.29Å; S1048-S1052 VanDerWaalsContact O-N 3.08Å
1049	I	94.8	Very high	94.2	Very high	33 Å²	33	32 Å²	32	17%	0.169	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-48.8	177	-63.2	166.6	0	0	0	110.3	I926 Q1045 L1046 R1051 S1052 R1056 P1058 V1085	I926-I1049 HydrophobicContact CG2-CD1 4.19Å; Q1045-I1049 WeakPolarHBondContact O-CG1 3.28Å; Q1045-I1049 PolarHBondContact O-N 2.96Å; L1046-I1049 PolarHBondContact O-N 3.37Å; I1049-R1051 VanDerWaalsContact C-N 3.27Å; I1049-R1051 PolarHBondContact O-N 3.33Å; I1049-S1052 WeakPolarHBondContact O-CB 3.49Å; I1049-S1052 PolarHBondContact O-N 3.32Å; I1049-S1052 PolarHBondContact O-OG 3.45Å; I1049-R1056 VanDerWaalsContact CG2-O 3.28Å; I1049-R1056 WeakPolarHBondContact CG2-O 3.39Å; I1049-P1058 HydrophobicContact CD1-CG 4.43Å; I1049-V1085 HydrophobicContact CB-CG1 4.27Å; I1049-V1085 HydrophobicContact CB-CG2 4.1Å; I1049-V1085 HydrophobicContact CD1-CG1 3.9Å; I1049-V1085 HydrophobicContact CG2-CG1 3.98Å; I1049-V1085 HydrophobicContact CG2-CG2 3.69Å
1050	A	93.8	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-35	-177.8	0	0	0	0	0	112.4	L1046 E1047 P1055 L1078 R1081 V1082 V1085	L1046-A1050 WeakPolarHBondContact O-CB 3.48Å; L1046-A1050 PolarHBondContact O-N 2.93Å; E1047-A1050 PolarHBondContact O-N 3.47Å; A1050-P1055 WeakPolarHBondContact O-CG 3.34Å; A1050-L1078 HydrophobicContact CB-CD1 4.26Å; A1050-R1081 HydrophobicContact CB-CB 4.04Å; A1050-R1081 VanDerWaalsContact O-CZ 3.25Å; A1050-R1081 PolarHBondContact O-NE 2.92Å; A1050-R1081 VanDerWaalsContact O-NE 3.08Å; A1050-R1081 PolarHBondContact O-NH2 3.4Å; A1050-V1082 HydrophobicContact CB-CG2 3.83Å; A1050-V1085 HydrophobicContact CB-CG2 4.28Å
1051	R	93.4	Very high	94.8	Very high	98 Å²	98	35.4 Å²	35.4	37%	0.37	19%	0.193	S	C	.	.	H	α-helix	trans	-84.7	-11.6	-179.9	-72.1	178.3	168	-74.5	-7.4	114.6	E1047 S1048 I1049 D1075 L1078	E1047-R1051 WeakPolarHBondContact O-CB 3.45Å; E1047-R1051 WeakPolarHBondContact O-CG 3.47Å; E1047-R1051 PolarHBondContact O-N 2.69Å; S1048-R1051 PolarHBondContact O-N 3.04Å; I1049-R1051 VanDerWaalsContact C-N 3.27Å; I1049-R1051 PolarHBondContact O-N 3.33Å; R1051-D1075 IonicContact CZ-OD1 2.82Å; R1051-D1075 IonicContact NH1-OD1 3.24Å; R1051-D1075 PolarHBondContact NH1-OD1 3.02Å; R1051-D1075 IonicContact NH2-OD1 3.47Å; R1051-D1075 PolarHBondContact NH2-OD1 3.24Å; R1051-L1078 HydrophobicContact CG-CD1 4.05Å
1052	S	94.3	Very high	95	Very high	36 Å²	36	33.7 Å²	33.7	25%	0.252	18%	0.179	S	C	.	.	S	Bend	trans	-56.3	150.7	175.5	68.9	0	0	0	0	111.2	S1048 I1049 E1054 P1055 P1070	S1048-S1052 PolarHBondContact O-N 3.29Å; S1048-S1052 VanDerWaalsContact O-N 3.08Å; I1049-S1052 WeakPolarHBondContact O-CB 3.49Å; I1049-S1052 PolarHBondContact O-N 3.32Å; I1049-S1052 PolarHBondContact O-OG 3.45Å; S1052-E1054 PolarHBondContact O-N 2.93Å; S1052-P1055 VanDerWaalsContact O-CD 3.27Å; S1052-P1055 WeakPolarHBondContact O-CD 3.28Å; S1052-P1055 WeakPolarHBondContact O-CG 3.23Å; S1052-P1055 VanDerWaalsContact OG-CA 3.28Å; S1052-P1055 WeakPolarHBondContact OG-CA 3.46Å; S1052-P1070 WeakPolarHBondContact O-CG 3.38Å
1053	P	92.6	Very high	95.3	Very high	85 Å²	85	33.8 Å²	33.8	55%	0.552	18%	0.179	S	C	*	.	S	Bend	trans	-58.2	-32.3	-177.3	-26.3	34.6	0	0	0	113.8	N1069	P1053-N1069 PolarHBondContact O-OD1 2.81Å
1054	E	94.2	Very high	95.5	Very high	73 Å²	73	33.5 Å²	33.5	34%	0.341	18%	0.178	S	C	.	.	S	Bend	trans	-131.8	80.3	178.8	-65.5	-123.2	126.9	0	0	109.6	S1052 R1056 Q1063	S1052-E1054 PolarHBondContact O-N 2.93Å; E1054-R1056 PolarHBondContact O-N 3.26Å; E1054-R1056 IonicContact OE2-NH2 2.76Å; E1054-Q1063 PolarHBondContact OE1-NE2 2.96Å; E1054-Q1063 PolarHBondContact OE2-NE2 3.48Å
1055	P	96.9	Very high	95.7	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.019	17%	0.167	C	C	.	.			trans	-59.8	127.7	-175.5	-24.8	35.6	0	0	0	112.2	A1050 S1052 Q1063 L1064 P1070 W1084	A1050-P1055 WeakPolarHBondContact O-CG 3.34Å; S1052-P1055 VanDerWaalsContact O-CD 3.27Å; S1052-P1055 WeakPolarHBondContact O-CD 3.28Å; S1052-P1055 WeakPolarHBondContact O-CG 3.23Å; S1052-P1055 VanDerWaalsContact OG-CA 3.28Å; S1052-P1055 WeakPolarHBondContact OG-CA 3.46Å; P1055-Q1063 WeakPolarHBondContact O-CG 3.4Å; P1055-L1064 HydrophobicContact CB-CB 4.07Å; P1055-L1064 HydrophobicContact CB-CD2 4.08Å; P1055-L1064 HydrophobicContact CG-CD2 3.97Å; P1055-L1064 PolarHBondContact O-N 3.34Å; P1055-P1070 HydrophobicContact CG-CG 3.6Å; P1055-W1084 HydrophobicContact CB-CZ3 4.26Å
1056	R	97.9	Very high	95.8	Very high	53 Å²	53	30.9 Å²	30.9	20%	0.2	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-131.6	150.1	177.8	-67.7	-179.4	-174.3	-99.8	3	110.7	R378 I1049 E1054 N1061 A1062 Q1063	R378-R1056 PolarHBondContact O-NH1 2.82Å; I1049-R1056 VanDerWaalsContact CG2-O 3.28Å; I1049-R1056 WeakPolarHBondContact CG2-O 3.39Å; E1054-R1056 PolarHBondContact O-N 3.26Å; E1054-R1056 IonicContact OE2-NH2 2.76Å; R1056-N1061 WeakPolarHBondContact CB-OD1 3.33Å; R1056-N1061 WeakPolarHBondContact CD-OD1 3.23Å; R1056-N1061 PolarHBondContact NH1-O 2.78Å; R1056-A1062 CarbonylContact C-O 3.57Å; R1056-A1062 WeakPolarHBondContact CA-O 3.33Å; R1056-Q1063 HydrophobicContact CG-CB 4.02Å; R1056-Q1063 HydrophobicContact CG-CG 3.89Å; R1056-Q1063 VanDerWaalsContact NH2-CD 3.32Å
1057	T	98.1	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.			trans	-66.9	141.7	170.3	60.8	0	0	0	0	109.8	F1059 N1061 A1062 W1084 D1092	T1057-F1059 PolarHBondContact O-N 3.12Å; T1057-N1061 VanDerWaalsContact O-CA 3.24Å; T1057-N1061 WeakPolarHBondContact O-CA 3.4Å; T1057-N1061 PolarHBondContact O-N 2.7Å; T1057-N1061 PolarHBondContact OG1-N 3.04Å; T1057-A1062 HydrophobicContact CG2-CB 4.19Å; T1057-A1062 PolarHBondContact N-O 3.22Å; T1057-A1062 WeakPolarHBondContact OG1-CB 3.32Å; T1057-A1062 PolarHBondContact OG1-N 2.97Å; T1057-W1084 HydrophobicContact CG2-CH2 3.94Å; T1057-W1084 HydrophobicContact CG2-CZ2 4.25Å; T1057-W1084 HydrophobicContact CG2-CZ3 4.4Å; T1057-D1092 WeakPolarHBondContact CB-OD2 3.46Å; T1057-D1092 PolarHBondContact OG1-OD2 2.97Å
1058	P	96.8	Very high	95.9	Very high	35 Å²	35	30.2 Å²	30.2	23%	0.227	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.8	-175.6	28.2	-33.3	0	0	0	113.6	I926 I1049 L1153	I926-P1058 HydrophobicContact CD1-CG 4.14Å; I926-P1058 HydrophobicContact CG1-CG 4.31Å; I1049-P1058 HydrophobicContact CD1-CG 4.43Å; P1058-L1153 HydrophobicContact CB-CD2 3.98Å; P1058-L1153 HydrophobicContact CG-CD2 4.45Å
1059	F	97.9	Very high	95.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-59.4	-171	-50.9	-69.5	0	0	0	112.6	I922 L925 I926 T1057 D1092 F1148 F1149 Q1152 L1153	I922-F1059 HydrophobicContact CG2-CE2 3.86Å; I922-F1059 HydrophobicContact CG2-CZ 4.22Å; L925-F1059 HydrophobicContact CD2-CE1 4.23Å; L925-F1059 HydrophobicContact CD2-CZ 4.44Å; I926-F1059 HydrophobicContact CD1-CE2 4.22Å; I926-F1059 HydrophobicContact CD1-CZ 4.31Å; I926-F1059 HydrophobicContact CG1-CE2 4.49Å; I926-F1059 HydrophobicContact CG1-CZ 4.08Å; T1057-F1059 PolarHBondContact O-N 3.12Å; F1059-D1092 HydrophobicContact CB-CB 4.45Å; F1059-F1148 HydrophobicContact CB-CE1 4.39Å; F1059-F1149 HydrophobicContact CB-CD1 4.48Å; F1059-F1149 HydrophobicContact CB-CD2 4.48Å; F1059-F1149 HydrophobicContact CB-CE1 4.13Å; F1059-F1149 HydrophobicContact CB-CE2 4.12Å; F1059-F1149 HydrophobicContact CB-CZ 3.9Å; F1059-F1149 HydrophobicContact CD1-CB 3.94Å; F1059-F1149 AromaticContact CD1-CD1 3.44Å; F1059-F1149 HydrophobicContact CD1-CD1 3.44Å; F1059-F1149 VanDerWaalsContact CD1-CD1 3.44Å; F1059-F1149 HydrophobicContact CD1-CD2 4.23Å; F1059-F1149 AromaticContact CD1-CE1 3.86Å; F1059-F1149 HydrophobicContact CD1-CE1 3.86Å; F1059-F1149 AromaticContact CD1-CG 3.62Å; F1059-F1149 HydrophobicContact CD1-CG 3.62Å; F1059-F1149 HydrophobicContact CD1-CZ 4.37Å; F1059-F1149 AromaticContact CD2-CD1 3.7Å; F1059-F1149 HydrophobicContact CD2-CD1 3.7Å; F1059-F1149 AromaticContact CD2-CE1 3.29Å; F1059-F1149 HydrophobicContact CD2-CE1 3.29Å; F1059-F1149 AromaticContact CD2-CZ 3.86Å; F1059-F1149 HydrophobicContact CD2-CZ 3.86Å; F1059-F1149 HydrophobicContact CE1-CB 3.86Å; F1059-F1149 AromaticContact CE1-CD1 3.37Å; F1059-F1149 HydrophobicContact CE1-CD1 3.37Å; F1059-F1149 HydrophobicContact CE1-CE1 4.05Å; F1059-F1149 AromaticContact CE1-CG 3.8Å; F1059-F1149 HydrophobicContact CE1-CG 3.8Å; F1059-F1149 WeakPolarHBondContact CE1-O 3.47Å; F1059-F1149 AromaticContact CE2-CD1 3.65Å; F1059-F1149 HydrophobicContact CE2-CD1 3.65Å; F1059-F1149 AromaticContact CE2-CE1 3.53Å; F1059-F1149 HydrophobicContact CE2-CE1 3.53Å; F1059-F1149 AromaticContact CG-CD1 3.59Å; F1059-F1149 HydrophobicContact CG-CD1 3.59Å; F1059-F1149 HydrophobicContact CG-CD2 4.34Å; F1059-F1149 AromaticContact CG-CE1 3.46Å; F1059-F1149 HydrophobicContact CG-CE1 3.46Å; F1059-F1149 VanDerWaalsContact CG-CE1 3.46Å; F1059-F1149 HydrophobicContact CG-CE2 4.23Å; F1059-F1149 HydrophobicContact CG-CG 4.01Å; F1059-F1149 AromaticContact CG-CZ 3.77Å; F1059-F1149 HydrophobicContact CG-CZ 3.77Å; F1059-F1149 AromaticContact CZ-CD1 3.48Å; F1059-F1149 HydrophobicContact CZ-CD1 3.48Å; F1059-F1149 VanDerWaalsContact CZ-CD1 3.48Å; F1059-F1149 AromaticContact CZ-CE1 3.89Å; F1059-F1149 HydrophobicContact CZ-CE1 3.89Å; F1059-F1149 HydrophobicContact CZ-CG 4.36Å; F1059-Q1152 HydrophobicContact CD1-CB 4.26Å; F1059-Q1152 PolarHBondContact O-NE2 3.35Å; F1059-L1153 HydrophobicContact CE1-CD1 3.57Å; F1059-L1153 HydrophobicContact CE1-CG 3.84Å; F1059-L1153 HydrophobicContact CZ-CD1 3.84Å; F1059-L1153 HydrophobicContact CZ-CG 4.46Å
1060	L	98.1	Very high	95.9	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	6.3	178.7	-58.6	-176.1	0	0	0	113.9	H381 A383 A1062 D1092 H1095 F1148	H381-L1060 HydrophobicContact CB-CB 4.01Å; H381-L1060 HydrophobicContact CB-CD2 4.29Å; H381-L1060 VanDerWaalsContact CB-O 3.29Å; H381-L1060 WeakPolarHBondContact CB-O 3.41Å; A383-L1060 HydrophobicContact CB-CD1 4.18Å; A383-L1060 HydrophobicContact CB-CD2 4.37Å; L1060-A1062 PolarHBondContact O-N 2.98Å; L1060-D1092 HydrophobicContact CB-CB 4.26Å; L1060-D1092 HydrophobicContact CD1-CB 3.65Å; L1060-D1092 HydrophobicContact CG-CB 3.72Å; L1060-D1092 PolarHBondContact N-OD2 3.32Å; L1060-H1095 HydrophobicContact CD1-CB 4.24Å; L1060-F1148 HydrophobicContact CD2-CE1 3.61Å; L1060-F1148 HydrophobicContact CD2-CZ 3.8Å
1061	N	97.5	Very high	95.7	Very high	78 Å²	78	33.6 Å²	33.6	42%	0.417	17%	0.165	S	C	.	.			trans	60	27.6	178.5	-152.4	34	0	0	0	114.1	P380 R1056 T1057	P380-N1061 HydrophobicContact CG-CB 4.09Å; R1056-N1061 WeakPolarHBondContact CB-OD1 3.33Å; R1056-N1061 WeakPolarHBondContact CD-OD1 3.23Å; R1056-N1061 PolarHBondContact NH1-O 2.78Å; T1057-N1061 VanDerWaalsContact O-CA 3.24Å; T1057-N1061 WeakPolarHBondContact O-CA 3.4Å; T1057-N1061 PolarHBondContact O-N 2.7Å; T1057-N1061 PolarHBondContact OG1-N 3.04Å
1062	A	98.1	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-69.2	128.8	178.6	0	0	0	0	0	109.9	F379 R876 R1056 T1057 L1060 W1084	F379-A1062 HydrophobicContact CD1-CB 3.59Å; F379-A1062 HydrophobicContact CE1-CB 3.81Å; R876-A1062 VanDerWaalsContact NH2-CB 3.35Å; R1056-A1062 CarbonylContact C-O 3.57Å; R1056-A1062 WeakPolarHBondContact CA-O 3.33Å; T1057-A1062 HydrophobicContact CG2-CB 4.19Å; T1057-A1062 PolarHBondContact N-O 3.22Å; T1057-A1062 WeakPolarHBondContact OG1-CB 3.32Å; T1057-A1062 PolarHBondContact OG1-N 2.97Å; L1060-A1062 PolarHBondContact O-N 2.98Å; A1062-W1084 VanDerWaalsContact O-CH2 3.28Å; A1062-W1084 WeakPolarHBondContact O-CH2 3.37Å
1063	Q	98	Very high	95.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-91.5	144.5	-173.4	-158.7	175.9	5.3	0	0	113.3	R378 E1054 P1055 R1056	R378-Q1063 HydrophobicContact CB-CB 4.08Å; R378-Q1063 WeakPolarHBondContact O-CB 3.41Å; R378-Q1063 PolarHBondContact O-N 3.36Å; E1054-Q1063 PolarHBondContact OE1-NE2 2.96Å; E1054-Q1063 PolarHBondContact OE2-NE2 3.48Å; P1055-Q1063 WeakPolarHBondContact O-CG 3.4Å; R1056-Q1063 HydrophobicContact CG-CB 4.02Å; R1056-Q1063 HydrophobicContact CG-CG 3.89Å; R1056-Q1063 VanDerWaalsContact NH2-CD 3.32Å
1064	L	97.1	Very high	95.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-59.7	148.4	174.3	179.4	68.9	0	0	0	111.5	R378 V874 P1055 L1068 R1081 W1084	R378-L1064 PolarHBondContact NH2-O 2.96Å; V874-L1064 HydrophobicContact CG1-CD1 4.41Å; P1055-L1064 HydrophobicContact CB-CB 4.07Å; P1055-L1064 HydrophobicContact CB-CD2 4.08Å; P1055-L1064 HydrophobicContact CG-CD2 3.97Å; P1055-L1064 PolarHBondContact O-N 3.34Å; L1064-L1068 HydrophobicContact CD1-CB 4.13Å; L1064-L1068 HydrophobicContact CD1-CD1 4.01Å; L1064-L1068 HydrophobicContact CD2-CB 3.75Å; L1064-L1068 WeakPolarHBondContact CD2-O 3.39Å; L1064-L1068 HydrophobicContact CG-CB 3.93Å; L1064-R1081 HydrophobicContact CD2-CG 3.86Å; L1064-W1084 HydrophobicContact CB-CD2 4.27Å; L1064-W1084 HydrophobicContact CB-CE3 4.23Å; L1064-W1084 HydrophobicContact CB-CH2 3.84Å; L1064-W1084 HydrophobicContact CB-CZ2 3.88Å; L1064-W1084 HydrophobicContact CB-CZ3 4.02Å; L1064-W1084 HydrophobicContact CD1-CB 4.11Å; L1064-W1084 HydrophobicContact CD1-CD2 3.39Å; L1064-W1084 HydrophobicContact CD1-CE3 3.9Å; L1064-W1084 HydrophobicContact CD1-CG 3.45Å; L1064-W1084 VanDerWaalsContact CD1-CG 3.45Å; L1064-W1084 HydrophobicContact CD1-CZ2 4.31Å; L1064-W1084 HydrophobicContact CG-CD2 4.4Å; L1064-W1084 VanDerWaalsContact N-CH2 3.31Å; L1064-W1084 VanDerWaalsContact N-CZ2 3.28Å
1065	T	96.6	Very high	94.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-50.5	143	174.8	176.9	0	0	0	0	112.8	V255 S256 G257 V874 A1067 L1068 N1069	V255-T1065 CarbonylContact O-C 3.57Å; V255-T1065 WeakPolarHBondContact O-CA 3.25Å; V255-T1065 PolarHBondContact O-OG1 2.79Å; S256-T1065 VanDerWaalsContact C-OG1 3.23Å; S256-T1065 VanDerWaalsContact CA-OG1 3.25Å; S256-T1065 WeakPolarHBondContact CA-OG1 3.48Å; G257-T1065 PolarHBondContact N-OG1 3.19Å; G257-T1065 VanDerWaalsContact N-OG1 3.08Å; G257-T1065 WeakPolarHBondContact O-CG2 3.19Å; G257-T1065 PolarHBondContact O-OG1 2.93Å; V874-T1065 HydrophobicContact CG1-CG2 3.48Å; V874-T1065 VanDerWaalsContact CG1-CG2 3.48Å; V874-T1065 HydrophobicContact CG2-CG2 4.36Å; T1065-A1067 HydrophobicContact CG2-CB 4.37Å; T1065-A1067 PolarHBondContact O-N 2.81Å; T1065-A1067 PolarHBondContact OG1-N 2.94Å; T1065-L1068 HydrophobicContact CG2-CB 3.76Å; T1065-L1068 HydrophobicContact CG2-CD1 3.88Å; T1065-L1068 HydrophobicContact CG2-CG 3.8Å; T1065-L1068 PolarHBondContact O-N 3.49Å; T1065-N1069 PolarHBondContact O-N 3.27Å
1066	R	95.9	Very high	94	Very high	56 Å²	56	35 Å²	35	21%	0.211	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-54.3	-36.6	174.9	-71.2	171	64	-177.2	3.6	111.9	V255 E310 L1068 N1069	V255-R1066 PolarHBondContact O-N 3.45Å; E310-R1066 HydrophobicContact CB-CB 4.28Å; E310-R1066 IonicContact OE1-NH2 2.66Å; E310-R1066 PolarHBondContact OE1-NH2 2.82Å; E310-R1066 VanDerWaalsContact OE1-NH2 3.08Å; E310-R1066 IonicContact OE2-CZ 3.95Å; E310-R1066 IonicContact OE2-NE 2.7Å; E310-R1066 PolarHBondContact OE2-NE 2.56Å; E310-R1066 IonicContact OE2-NH2 3.72Å; E310-R1066 PolarHBondContact OE2-NH2 2.67Å; R1066-L1068 PolarHBondContact O-N 3.25Å; R1066-L1068 VanDerWaalsContact O-N 3.12Å; R1066-N1069 VanDerWaalsContact O-CB 3.26Å; R1066-N1069 WeakPolarHBondContact O-CB 3.38Å; R1066-N1069 PolarHBondContact O-N 2.83Å
1067	A	94.1	Very high	93.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.6	179.6	0	0	0	0	0	114.1	L258 Q262 W307 T311 T1065 V1073	L258-A1067 HydrophobicContact CD2-CB 4.06Å; Q262-A1067 PolarHBondContact NE2-O 3.09Å; W307-A1067 HydrophobicContact CE3-CB 4.43Å; T311-A1067 HydrophobicContact CG2-CB 4.45Å; T1065-A1067 HydrophobicContact CG2-CB 4.37Å; T1065-A1067 PolarHBondContact O-N 2.81Å; T1065-A1067 PolarHBondContact OG1-N 2.94Å; A1067-V1073 WeakPolarHBondContact O-CG1 3.48Å
1068	L	95.1	Very high	93.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-114	14.9	177	-72.3	177.4	0	0	0	112.4	T259 V874 L1064 T1065 R1066 P1070 F1077 R1081	T259-L1068 HydrophobicContact CG2-CD1 3.9Å; T259-L1068 HydrophobicContact CG2-CD2 4.5Å; V874-L1068 HydrophobicContact CG1-CD1 3.8Å; L1064-L1068 HydrophobicContact CD1-CB 4.13Å; L1064-L1068 HydrophobicContact CD1-CD1 4.01Å; L1064-L1068 HydrophobicContact CD2-CB 3.75Å; L1064-L1068 WeakPolarHBondContact CD2-O 3.39Å; L1064-L1068 HydrophobicContact CG-CB 3.93Å; T1065-L1068 HydrophobicContact CG2-CB 3.76Å; T1065-L1068 HydrophobicContact CG2-CD1 3.88Å; T1065-L1068 HydrophobicContact CG2-CG 3.8Å; T1065-L1068 PolarHBondContact O-N 3.49Å; R1066-L1068 PolarHBondContact O-N 3.25Å; R1066-L1068 VanDerWaalsContact O-N 3.12Å; L1068-P1070 WeakPolarHBondContact O-CD 3.47Å; L1068-F1077 HydrophobicContact CD2-CB 3.65Å; L1068-F1077 HydrophobicContact CD2-CD2 4.06Å; L1068-F1077 HydrophobicContact CD2-CG 3.99Å; L1068-R1081 HydrophobicContact CB-CG 4.39Å
1069	N	94.1	Very high	92.7	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.123	18%	0.18	C	C	.	.			trans	-57.5	124.6	179.1	-172.8	-37.1	0	0	0	109.9	P1053 T1065 R1066 K1071 L1072 V1073	P1053-N1069 PolarHBondContact O-OD1 2.81Å; T1065-N1069 PolarHBondContact O-N 3.27Å; R1066-N1069 VanDerWaalsContact O-CB 3.26Å; R1066-N1069 WeakPolarHBondContact O-CB 3.38Å; R1066-N1069 PolarHBondContact O-N 2.83Å; N1069-K1071 PolarHBondContact O-N 3.02Å; N1069-K1071 VanDerWaalsContact O-N 3.1Å; N1069-K1071 WeakPolarHBondContact OD1-CB 3.49Å; N1069-K1071 PolarHBondContact OD1-N 3Å; N1069-L1072 HydrophobicContact CB-CD1 4Å; N1069-L1072 HydrophobicContact CB-CG 4.18Å; N1069-L1072 PolarHBondContact O-N 3.37Å; N1069-V1073 PolarHBondContact O-N 3.23Å
1070	P	93	Very high	92.4	Very high	17 Å²	17	38.5 Å²	38.5	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-56.4	-27.7	-178.8	-28.7	39.4	0	0	0	114.3	S1052 P1055 L1068 L1072 K1074 R1081	S1052-P1070 WeakPolarHBondContact O-CG 3.38Å; P1055-P1070 HydrophobicContact CG-CG 3.6Å; L1068-P1070 WeakPolarHBondContact O-CD 3.47Å; P1070-L1072 VanDerWaalsContact C-N 3.25Å; P1070-L1072 PolarHBondContact O-N 2.92Å; P1070-K1074 WeakPolarHBondContact O-CA 3.5Å; P1070-K1074 PolarHBondContact O-N 3.36Å; P1070-R1081 VanDerWaalsContact CG-NH2 3.29Å
1071	K	91.1	Very high	92.1	Very high	138 Å²	138	38.6 Å²	38.6	60%	0.6	20%	0.195	S	C	*	.	H	α-helix	trans	-64	-30.4	174.4	-63.6	179.9	-177.9	174.6	0	112.7	N1069	N1069-K1071 PolarHBondContact O-N 3.02Å; N1069-K1071 VanDerWaalsContact O-N 3.1Å; N1069-K1071 WeakPolarHBondContact OD1-CB 3.49Å; N1069-K1071 PolarHBondContact OD1-N 3Å
1072	L	90.7	Very high	91.9	Very high	44 Å²	44	35.2 Å²	35.2	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-96.5	-46	-176.6	-56	173.8	0	0	0	112	D306 W307 E310 N1069 P1070	D306-L1072 HydrophobicContact CB-CD2 4.01Å; W307-L1072 HydrophobicContact CB-CB 4.07Å; W307-L1072 HydrophobicContact CB-CD1 4.38Å; E310-L1072 HydrophobicContact CB-CD1 4.31Å; E310-L1072 HydrophobicContact CG-CD1 3.69Å; N1069-L1072 HydrophobicContact CB-CD1 4Å; N1069-L1072 HydrophobicContact CB-CG 4.18Å; N1069-L1072 PolarHBondContact O-N 3.37Å; P1070-L1072 VanDerWaalsContact C-N 3.25Å; P1070-L1072 PolarHBondContact O-N 2.92Å
1073	V	89.8	Confident	91.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-89.4	-11.7	-176.7	-54.4	0	0	0	0	113.6	W307 A1067 N1069 D1075 D1076 F1077	W307-V1073 HydrophobicContact CB-CG1 4.03Å; W307-V1073 HydrophobicContact CG-CG1 3.95Å; A1067-V1073 WeakPolarHBondContact O-CG1 3.48Å; N1069-V1073 PolarHBondContact O-N 3.23Å; V1073-D1075 PolarHBondContact O-N 3.35Å; V1073-D1076 HydrophobicContact CB-CB 4.45Å; V1073-D1076 WeakPolarHBondContact O-CB 3.45Å; V1073-D1076 PolarHBondContact O-N 3.13Å; V1073-F1077 HydrophobicContact CB-CD2 4.3Å; V1073-F1077 HydrophobicContact CG1-CD2 4.29Å
1074	K	85.8	Confident	91.4	Very high	153 Å²	153	36.6 Å²	36.6	67%	0.665	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	-118.4	-176.1	-55.9	175	-176.2	173.7	0	111	P1070 R1081	P1070-K1074 WeakPolarHBondContact O-CA 3.5Å; P1070-K1074 PolarHBondContact O-N 3.36Å; K1074-R1081 PolarHBondContact O-NH1 3.06Å
1075	D	82.8	Confident	91.4	Very high	86 Å²	86	36.5 Å²	36.5	46%	0.46	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.5	177.1	-88.1	-44	0	0	0	113.8	R1051 V1073	R1051-D1075 IonicContact CZ-OD1 2.82Å; R1051-D1075 IonicContact NH1-OD1 3.24Å; R1051-D1075 PolarHBondContact NH1-OD1 3.02Å; R1051-D1075 IonicContact NH2-OD1 3.47Å; R1051-D1075 PolarHBondContact NH2-OD1 3.24Å; V1073-D1075 PolarHBondContact O-N 3.35Å
1076	D	85.5	Confident	91.3	Very high	40 Å²	40	36.8 Å²	36.8	21%	0.214	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	148	177.8	-65.4	-24.1	0	0	0	110.4	V1073 L1078	V1073-D1076 HydrophobicContact CB-CB 4.45Å; V1073-D1076 WeakPolarHBondContact O-CB 3.45Å; V1073-D1076 PolarHBondContact O-N 3.13Å; D1076-L1078 PolarHBondContact O-N 3.46Å; D1076-L1078 VanDerWaalsContact O-N 3.09Å
1077	F	88.6	Confident	91.2	Very high	26 Å²	26	35.7 Å²	35.7	11%	0.114	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	20.6	-179.8	-45.3	-75.5	0	0	0	115.3	T261 Q262 L265 F282 L1068 V1073 P1079 S1080 R1081	T261-F1077 HydrophobicContact CG2-CE1 4.06Å; Q262-F1077 HydrophobicContact CG-CD1 4.4Å; Q262-F1077 HydrophobicContact CG-CD2 4.46Å; Q262-F1077 HydrophobicContact CG-CE1 3.94Å; Q262-F1077 HydrophobicContact CG-CE2 4Å; Q262-F1077 HydrophobicContact CG-CZ 3.72Å; L265-F1077 HydrophobicContact CD1-CZ 4.15Å; F282-F1077 AromaticContact CE2-CE1 3.91Å; F282-F1077 HydrophobicContact CE2-CE1 3.91Å; F282-F1077 HydrophobicContact CE2-CE2 4.27Å; F282-F1077 AromaticContact CE2-CZ 3.53Å; F282-F1077 HydrophobicContact CE2-CZ 3.53Å; F282-F1077 HydrophobicContact CZ-CE1 4.42Å; F282-F1077 AromaticContact CZ-CE2 3.99Å; F282-F1077 HydrophobicContact CZ-CE2 3.99Å; F282-F1077 AromaticContact CZ-CZ 3.59Å; F282-F1077 HydrophobicContact CZ-CZ 3.59Å; L1068-F1077 HydrophobicContact CD2-CB 3.65Å; L1068-F1077 HydrophobicContact CD2-CD2 4.06Å; L1068-F1077 HydrophobicContact CD2-CG 3.99Å; V1073-F1077 HydrophobicContact CB-CD2 4.3Å; V1073-F1077 HydrophobicContact CG1-CD2 4.29Å; F1077-P1079 VanDerWaalsContact C-CD 3.45Å; F1077-P1079 VanDerWaalsContact C-N 3.33Å; F1077-S1080 WeakPolarHBondContact O-CA 3.39Å; F1077-S1080 WeakPolarHBondContact O-CB 3.5Å; F1077-S1080 PolarHBondContact O-N 3.14Å; F1077-R1081 PolarHBondContact O-N 2.96Å
1078	L	89.2	Confident	91.4	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-52	-42.4	176.2	-178.9	68.1	0	0	0	113.7	A1050 R1051 D1076 S1080 R1081 V1082	A1050-L1078 HydrophobicContact CB-CD1 4.26Å; R1051-L1078 HydrophobicContact CG-CD1 4.05Å; D1076-L1078 PolarHBondContact O-N 3.46Å; D1076-L1078 VanDerWaalsContact O-N 3.09Å; L1078-S1080 VanDerWaalsContact C-N 3.27Å; L1078-S1080 PolarHBondContact O-N 3.44Å; L1078-R1081 WeakPolarHBondContact O-CB 3.15Å; L1078-R1081 PolarHBondContact O-N 3.16Å; L1078-R1081 VanDerWaalsContact O-N 3.11Å; L1078-V1082 HydrophobicContact CD1-CG2 4.16Å; L1078-V1082 HydrophobicContact CG-CG2 4.26Å; L1078-V1082 WeakPolarHBondContact O-CG2 3.26Å; L1078-V1082 PolarHBondContact O-N 3Å
1079	P	87.8	Confident	91.5	Very high	69 Å²	69	35.6 Å²	35.6	45%	0.448	18%	0.182	S	C	.	.	H	α-helix	trans	-58.1	-39.7	175.5	-25	35.3	0	0	0	112.9	F1077 V1082 N1083	F1077-P1079 VanDerWaalsContact C-CD 3.45Å; F1077-P1079 VanDerWaalsContact C-N 3.33Å; P1079-V1082 PolarHBondContact O-N 2.95Å; P1079-N1083 VanDerWaalsContact O-CB 3.3Å; P1079-N1083 WeakPolarHBondContact O-CB 3.37Å; P1079-N1083 PolarHBondContact O-N 3.11Å
1080	S	90.9	Very high	91.6	Very high	44 Å²	44	34.8 Å²	34.8	31%	0.308	18%	0.178	S	C	.	.	H	α-helix	trans	-66.1	-37.8	176.2	-54.2	0	0	0	0	111.9	F1077 L1078 W1084	F1077-S1080 WeakPolarHBondContact O-CA 3.39Å; F1077-S1080 WeakPolarHBondContact O-CB 3.5Å; F1077-S1080 PolarHBondContact O-N 3.14Å; L1078-S1080 VanDerWaalsContact C-N 3.27Å; L1078-S1080 PolarHBondContact O-N 3.44Å; S1080-W1084 VanDerWaalsContact O-CB 3.31Å; S1080-W1084 WeakPolarHBondContact O-CB 3.46Å; S1080-W1084 PolarHBondContact O-N 3.38Å
1081	R	93.5	Very high	91.8	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.011	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-42.9	176.1	-73.6	164.4	44.6	-168	0.9	112.6	A1050 L1064 L1068 P1070 K1074 F1077 L1078 W1084 V1085	A1050-R1081 HydrophobicContact CB-CB 4.04Å; A1050-R1081 VanDerWaalsContact O-CZ 3.25Å; A1050-R1081 PolarHBondContact O-NE 2.92Å; A1050-R1081 VanDerWaalsContact O-NE 3.08Å; A1050-R1081 PolarHBondContact O-NH2 3.4Å; L1064-R1081 HydrophobicContact CD2-CG 3.86Å; L1068-R1081 HydrophobicContact CB-CG 4.39Å; P1070-R1081 VanDerWaalsContact CG-NH2 3.29Å; K1074-R1081 PolarHBondContact O-NH1 3.06Å; F1077-R1081 PolarHBondContact O-N 2.96Å; L1078-R1081 WeakPolarHBondContact O-CB 3.15Å; L1078-R1081 PolarHBondContact O-N 3.16Å; L1078-R1081 VanDerWaalsContact O-N 3.11Å; R1081-W1084 WeakPolarHBondContact O-CB 3.3Å; R1081-W1084 PolarHBondContact O-N 3.09Å; R1081-V1085 PolarHBondContact O-N 2.88Å
1082	V	92	Very high	92.2	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-46.7	175.5	169.6	0	0	0	0	110.4	L1046 E1047 A1050 L1078 P1079 W1084 V1085	L1046-V1082 HydrophobicContact CB-CG1 4.01Å; L1046-V1082 HydrophobicContact CD1-CG1 4.3Å; E1047-V1082 HydrophobicContact CG-CG2 3.89Å; A1050-V1082 HydrophobicContact CB-CG2 3.83Å; L1078-V1082 HydrophobicContact CD1-CG2 4.16Å; L1078-V1082 HydrophobicContact CG-CG2 4.26Å; L1078-V1082 WeakPolarHBondContact O-CG2 3.26Å; L1078-V1082 PolarHBondContact O-N 3Å; P1079-V1082 PolarHBondContact O-N 2.95Å; V1082-W1084 VanDerWaalsContact C-N 3.27Å; V1082-W1084 PolarHBondContact O-N 3.47Å; V1082-V1085 PolarHBondContact O-N 3.22Å
1083	N	91.3	Very high	92.5	Very high	24 Å²	24	25.6 Å²	25.6	13%	0.128	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-40	174.8	-179.9	43.9	0	0	0	112.1	Y978 P1079 V1085 V1086 Q1087	Y978-N1083 WeakPolarHBondContact CA-OD1 3.36Å; Y978-N1083 WeakPolarHBondContact CB-OD1 3.5Å; Y978-N1083 WeakPolarHBondContact CD1-OD1 3.43Å; P1079-N1083 VanDerWaalsContact O-CB 3.3Å; P1079-N1083 WeakPolarHBondContact O-CB 3.37Å; P1079-N1083 PolarHBondContact O-N 3.11Å; N1083-V1085 VanDerWaalsContact C-N 3.3Å; N1083-V1085 PolarHBondContact O-N 3.27Å; N1083-V1086 PolarHBondContact O-N 2.92Å; N1083-Q1087 PolarHBondContact ND2-NE2 3.47Å; N1083-Q1087 VanDerWaalsContact ND2-NE2 3.13Å; N1083-Q1087 PolarHBondContact ND2-OE1 2.91Å; N1083-Q1087 WeakPolarHBondContact O-CG 3.47Å; N1083-Q1087 PolarHBondContact O-N 3.34Å; N1083-Q1087 WeakPolarHBondContact OD1-CG 3.44Å; N1083-Q1087 PolarHBondContact OD1-NE2 2.91Å; N1083-Q1087 VanDerWaalsContact OD1-NE2 3.15Å
1084	W	95.3	Very high	92.9	Very high	6 Å²	6	26 Å²	26	2%	0.023	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-38.4	178	174.4	92.1	0	0	0	112.7	V874 P1055 T1057 A1062 L1064 S1080 R1081 V1082 V1086 Q1087 S1088	V874-W1084 PolarHBondContact O-NE1 2.78Å; P1055-W1084 HydrophobicContact CB-CZ3 4.26Å; T1057-W1084 HydrophobicContact CG2-CH2 3.94Å; T1057-W1084 HydrophobicContact CG2-CZ2 4.25Å; T1057-W1084 HydrophobicContact CG2-CZ3 4.4Å; A1062-W1084 VanDerWaalsContact O-CH2 3.28Å; A1062-W1084 WeakPolarHBondContact O-CH2 3.37Å; L1064-W1084 HydrophobicContact CB-CD2 4.27Å; L1064-W1084 HydrophobicContact CB-CE3 4.23Å; L1064-W1084 HydrophobicContact CB-CH2 3.84Å; L1064-W1084 HydrophobicContact CB-CZ2 3.88Å; L1064-W1084 HydrophobicContact CB-CZ3 4.02Å; L1064-W1084 HydrophobicContact CD1-CB 4.11Å; L1064-W1084 HydrophobicContact CD1-CD2 3.39Å; L1064-W1084 HydrophobicContact CD1-CE3 3.9Å; L1064-W1084 HydrophobicContact CD1-CG 3.45Å; L1064-W1084 VanDerWaalsContact CD1-CG 3.45Å; L1064-W1084 HydrophobicContact CD1-CZ2 4.31Å; L1064-W1084 HydrophobicContact CG-CD2 4.4Å; L1064-W1084 VanDerWaalsContact N-CH2 3.31Å; L1064-W1084 VanDerWaalsContact N-CZ2 3.28Å; S1080-W1084 VanDerWaalsContact O-CB 3.31Å; S1080-W1084 WeakPolarHBondContact O-CB 3.46Å; S1080-W1084 PolarHBondContact O-N 3.38Å; R1081-W1084 WeakPolarHBondContact O-CB 3.3Å; R1081-W1084 PolarHBondContact O-N 3.09Å; V1082-W1084 VanDerWaalsContact C-N 3.27Å; V1082-W1084 PolarHBondContact O-N 3.47Å; W1084-V1086 VanDerWaalsContact C-N 3.29Å; W1084-V1086 PolarHBondContact O-N 3.46Å; W1084-Q1087 PolarHBondContact O-N 3.38Å; W1084-S1088 WeakPolarHBondContact O-CA 3.45Å; W1084-S1088 WeakPolarHBondContact O-CB 3.34Å; W1084-S1088 PolarHBondContact O-N 2.95Å
1085	V	95.9	Very high	93.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.1	-45.7	179.2	178.1	0	0	0	0	110.8	I926 L1046 I1049 A1050 R1081 V1082 N1083 S1089	I926-V1085 HydrophobicContact CD1-CG1 4.33Å; L1046-V1085 HydrophobicContact CD2-CB 4.09Å; L1046-V1085 HydrophobicContact CD2-CG1 3.63Å; I1049-V1085 HydrophobicContact CB-CG1 4.27Å; I1049-V1085 HydrophobicContact CB-CG2 4.1Å; I1049-V1085 HydrophobicContact CD1-CG1 3.9Å; I1049-V1085 HydrophobicContact CG2-CG1 3.98Å; I1049-V1085 HydrophobicContact CG2-CG2 3.69Å; A1050-V1085 HydrophobicContact CB-CG2 4.28Å; R1081-V1085 PolarHBondContact O-N 2.88Å; V1082-V1085 PolarHBondContact O-N 3.22Å; N1083-V1085 VanDerWaalsContact C-N 3.3Å; N1083-V1085 PolarHBondContact O-N 3.27Å; V1085-S1089 WeakPolarHBondContact O-CB 3.13Å; V1085-S1089 PolarHBondContact O-N 3.3Å; V1085-S1089 PolarHBondContact O-OG 3.42Å
1086	V	94.7	Very high	94.2	Very high	8 Å²	8	14.7 Å²	14.7	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-74.2	-52.6	-179.8	-178.6	0	0	0	0	111.1	E919 A923 Y978 L1046 N1083 W1084 S1088 S1089 A1090	E919-V1086 HydrophobicContact CB-CG1 3.84Å; E919-V1086 HydrophobicContact CG-CG1 4.43Å; A923-V1086 HydrophobicContact CB-CG2 4.22Å; Y978-V1086 HydrophobicContact CE1-CG1 4.45Å; L1046-V1086 HydrophobicContact CD1-CG2 3.75Å; L1046-V1086 HydrophobicContact CD2-CG2 3.73Å; L1046-V1086 HydrophobicContact CG-CG2 4.42Å; N1083-V1086 PolarHBondContact O-N 2.92Å; W1084-V1086 VanDerWaalsContact C-N 3.29Å; W1084-V1086 PolarHBondContact O-N 3.46Å; V1086-S1088 VanDerWaalsContact C-N 3.33Å; V1086-S1088 PolarHBondContact O-N 3.33Å; V1086-S1089 WeakPolarHBondContact O-CB 2.9Å; V1086-S1089 PolarHBondContact O-N 2.87Å; V1086-S1089 VanDerWaalsContact O-N 3.17Å; V1086-A1090 PolarHBondContact O-N 3.06Å
1087	Q	94.7	Very high	94.7	Very high	32 Å²	32	12.8 Å²	12.8	15%	0.15	7%	0.074	C	C	.	.	H	α-helix	trans	-64.8	-37.5	-174.7	-67.8	-171.5	-11.3	0	0	112.7	S875 E919 N1083 W1084 A1090 V1091	S875-Q1087 PolarHBondContact OG-OE1 2.98Å; E919-Q1087 WeakPolarHBondContact OE1-CA 3.48Å; N1083-Q1087 PolarHBondContact ND2-NE2 3.47Å; N1083-Q1087 VanDerWaalsContact ND2-NE2 3.13Å; N1083-Q1087 PolarHBondContact ND2-OE1 2.91Å; N1083-Q1087 WeakPolarHBondContact O-CG 3.47Å; N1083-Q1087 PolarHBondContact O-N 3.34Å; N1083-Q1087 WeakPolarHBondContact OD1-CG 3.44Å; N1083-Q1087 PolarHBondContact OD1-NE2 2.91Å; N1083-Q1087 VanDerWaalsContact OD1-NE2 3.15Å; W1084-Q1087 PolarHBondContact O-N 3.38Å; Q1087-A1090 WeakPolarHBondContact O-CB 3.38Å; Q1087-A1090 PolarHBondContact O-N 2.55Å; Q1087-V1091 PolarHBondContact O-N 3.43Å
1088	S	96.9	Very high	95.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-74.3	-32.5	177.6	-144.5	0	0	0	0	111.5	S875 R876 W1084 V1086 A1090 V1091 D1092	S875-S1088 VanDerWaalsContact O-CA 3.28Å; S875-S1088 WeakPolarHBondContact O-CA 3.42Å; S875-S1088 WeakPolarHBondContact O-CB 3.26Å; S875-S1088 PolarHBondContact O-OG 2.78Å; R876-S1088 VanDerWaalsContact CZ-OG 3.26Å; R876-S1088 PolarHBondContact NE-OG 3.03Å; R876-S1088 PolarHBondContact NH2-O 2.8Å; R876-S1088 PolarHBondContact NH2-OG 3.41Å; W1084-S1088 WeakPolarHBondContact O-CA 3.45Å; W1084-S1088 WeakPolarHBondContact O-CB 3.34Å; W1084-S1088 PolarHBondContact O-N 2.95Å; V1086-S1088 VanDerWaalsContact C-N 3.33Å; V1086-S1088 PolarHBondContact O-N 3.33Å; S1088-A1090 VanDerWaalsContact C-N 3.28Å; S1088-A1090 PolarHBondContact O-N 3.36Å; S1088-V1091 WeakPolarHBondContact O-CB 3.46Å; S1088-V1091 PolarHBondContact O-N 3.47Å; S1088-V1091 VanDerWaalsContact O-N 3.16Å; S1088-D1092 PolarHBondContact O-N 3.47Å
1089	S	97.6	Very high	95.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-30.1	169.2	-63.2	0	0	0	0	112.9	V1085 V1086 V1091 D1092 Y1093 F1149	V1085-S1089 WeakPolarHBondContact O-CB 3.13Å; V1085-S1089 PolarHBondContact O-N 3.3Å; V1085-S1089 PolarHBondContact O-OG 3.42Å; V1086-S1089 WeakPolarHBondContact O-CB 2.9Å; V1086-S1089 PolarHBondContact O-N 2.87Å; V1086-S1089 VanDerWaalsContact O-N 3.17Å; S1089-V1091 VanDerWaalsContact C-N 3.31Å; S1089-D1092 WeakPolarHBondContact O-CB 3.06Å; S1089-D1092 PolarHBondContact O-N 3.27Å; S1089-Y1093 PolarHBondContact O-N 3.23Å; S1089-F1149 WeakPolarHBondContact O-CZ 3.23Å
1090	A	96.8	Very high	96.1	Very high	5 Å²	5	7.3 Å²	7.3	4%	0.041	4%	0.042	C	C	.	.	H	α-helix	trans	-67	-34.6	171.7	0	0	0	0	0	111.9	E919 I922 V1086 Q1087 S1088 Y1093 L1094	E919-A1090 HydrophobicContact CG-CB 3.92Å; I922-A1090 HydrophobicContact CD1-CB 4.12Å; V1086-A1090 PolarHBondContact O-N 3.06Å; Q1087-A1090 WeakPolarHBondContact O-CB 3.38Å; Q1087-A1090 PolarHBondContact O-N 2.55Å; S1088-A1090 VanDerWaalsContact C-N 3.28Å; S1088-A1090 PolarHBondContact O-N 3.36Å; A1090-Y1093 VanDerWaalsContact O-CB 3.3Å; A1090-Y1093 WeakPolarHBondContact O-CB 3.45Å; A1090-Y1093 PolarHBondContact O-N 2.92Å; A1090-L1094 PolarHBondContact O-N 2.68Å
1091	V	97.4	Very high	96.4	Very high	7 Å²	7	5.3 Å²	5.3	4%	0.042	3%	0.028	C	C	.	.	H	α-helix	trans	-67.8	-38	171.3	176.4	0	0	0	0	111.3	S875 R876 R877 Q1087 S1088 S1089 Y1093 L1094 H1095	S875-V1091 WeakPolarHBondContact O-CG2 2.88Å; R876-V1091 HydrophobicContact CB-CB 4.43Å; R876-V1091 HydrophobicContact CB-CG1 3.96Å; R876-V1091 HydrophobicContact CB-CG2 4.39Å; R877-V1091 HydrophobicContact CG-CG2 3.79Å; Q1087-V1091 PolarHBondContact O-N 3.43Å; S1088-V1091 WeakPolarHBondContact O-CB 3.46Å; S1088-V1091 PolarHBondContact O-N 3.47Å; S1088-V1091 VanDerWaalsContact O-N 3.16Å; S1089-V1091 VanDerWaalsContact C-N 3.31Å; V1091-Y1093 PolarHBondContact O-N 3.18Å; V1091-L1094 PolarHBondContact O-N 3.4Å; V1091-H1095 WeakPolarHBondContact CG1-CE1 2.97Å; V1091-H1095 VanDerWaalsContact O-CG 3.25Å; V1091-H1095 PolarHBondContact O-N 3.22Å
1092	D	98.3	Very high	96.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.8	-40.2	171.3	-73.4	-7.2	0	0	0	111.7	R876 T1057 F1059 L1060 S1088 S1089 H1095 C1096 F1149	R876-D1092 IonicContact CZ-OD1 3.84Å; R876-D1092 VanDerWaalsContact CZ-OD1 3.29Å; R876-D1092 IonicContact NH1-OD1 3.17Å; R876-D1092 PolarHBondContact NH1-OD1 3.43Å; R876-D1092 IonicContact NH2-OD1 3.92Å; R876-D1092 PolarHBondContact NH2-OD1 2.78Å; R876-D1092 IonicContact NH2-OD2 3.91Å; T1057-D1092 WeakPolarHBondContact CB-OD2 3.46Å; T1057-D1092 PolarHBondContact OG1-OD2 2.97Å; F1059-D1092 HydrophobicContact CB-CB 4.45Å; L1060-D1092 HydrophobicContact CB-CB 4.26Å; L1060-D1092 HydrophobicContact CD1-CB 3.65Å; L1060-D1092 HydrophobicContact CG-CB 3.72Å; L1060-D1092 PolarHBondContact N-OD2 3.32Å; S1088-D1092 PolarHBondContact O-N 3.47Å; S1089-D1092 WeakPolarHBondContact O-CB 3.06Å; S1089-D1092 PolarHBondContact O-N 3.27Å; D1092-H1095 PolarHBondContact O-N 3.44Å; D1092-C1096 PolarHBondContact O-N 2.94Å; D1092-C1096 PolarHBondContact O-SG 3.29Å; D1092-F1149 HydrophobicContact CB-CZ 3.97Å
1093	Y	98.1	Very high	96.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.9	-48.1	178	-168.3	-71	0	0	0	110.7	V915 Q918 W921 I922 S1089 A1090 V1091 H1095 C1096 M1097 N1142 T1145 R1146 F1149	V915-Y1093 HydrophobicContact CG1-CE1 4.08Å; V915-Y1093 HydrophobicContact CG2-CE1 3.96Å; Q918-Y1093 HydrophobicContact CG-CG 4.4Å; W921-Y1093 HydrophobicContact CE3-CE2 4.21Å; W921-Y1093 HydrophobicContact CZ3-CD2 4.1Å; W921-Y1093 AromaticContact CZ3-CE2 3.66Å; W921-Y1093 HydrophobicContact CZ3-CE2 3.66Å; I922-Y1093 HydrophobicContact CD1-CD2 4.45Å; S1089-Y1093 PolarHBondContact O-N 3.23Å; A1090-Y1093 VanDerWaalsContact O-CB 3.3Å; A1090-Y1093 WeakPolarHBondContact O-CB 3.45Å; A1090-Y1093 PolarHBondContact O-N 2.92Å; V1091-Y1093 PolarHBondContact O-N 3.18Å; Y1093-H1095 VanDerWaalsContact C-N 3.32Å; Y1093-H1095 PolarHBondContact O-N 3.45Å; Y1093-C1096 PolarHBondContact O-N 3.25Å; Y1093-M1097 HydrophobicContact CD1-CG 3.84Å; Y1093-M1097 HydrophobicContact CE1-CG 3.67Å; Y1093-M1097 HydrophobicContact CE1-SD 4.27Å; Y1093-M1097 PolarHBondContact O-N 3.28Å; Y1093-N1142 PolarHBondContact OH-OD1 3.13Å; Y1093-T1145 HydrophobicContact CD1-CG2 3.7Å; Y1093-T1145 HydrophobicContact CD2-CG2 3.68Å; Y1093-T1145 HydrophobicContact CE1-CG2 3.74Å; Y1093-T1145 HydrophobicContact CE2-CG2 3.73Å; Y1093-T1145 HydrophobicContact CG-CG2 3.68Å; Y1093-R1146 HydrophobicContact CE2-CG 3.79Å; Y1093-R1146 WeakPolarHBondContact OH-CD 3.4Å; Y1093-R1146 WeakPolarHBondContact OH-CG 3.4Å; Y1093-R1146 PolarHBondContact OH-NE 3.45Å; Y1093-F1149 VanDerWaalsContact CA-CZ 3.46Å; Y1093-F1149 HydrophobicContact CD2-CD1 4.2Å; Y1093-F1149 HydrophobicContact CD2-CD2 4.34Å; Y1093-F1149 AromaticContact CD2-CE1 3.99Å; Y1093-F1149 HydrophobicContact CD2-CE1 3.99Å; Y1093-F1149 HydrophobicContact CD2-CE2 4.15Å; Y1093-F1149 HydrophobicContact CD2-CG 4.4Å; Y1093-F1149 HydrophobicContact CD2-CZ 4Å; Y1093-F1149 HydrophobicContact CG-CE2 4.45Å; Y1093-F1149 HydrophobicContact CG-CZ 4.23Å
1094	L	97.5	Very high	97.1	Very high	11 Å²	11	7.1 Å²	7.1	6%	0.058	3%	0.032	C	C	.	.	H	α-helix	trans	-57.1	-45.9	175.9	174	59.8	0	0	0	111.4	M391 A1090 V1091 C1096 M1097 L1098 S1117 L1122	M391-L1094 HydrophobicContact CE-CD2 4.05Å; M391-L1094 HydrophobicContact SD-CD2 3.8Å; M391-L1094 HydrophobicContact SD-CG 4.39Å; A1090-L1094 PolarHBondContact O-N 2.68Å; V1091-L1094 PolarHBondContact O-N 3.4Å; L1094-C1096 VanDerWaalsContact C-N 3.35Å; L1094-C1096 PolarHBondContact O-N 3.01Å; L1094-M1097 WeakPolarHBondContact O-CB 3.45Å; L1094-M1097 PolarHBondContact O-N 2.75Å; L1094-L1098 HydrophobicContact CD1-CD1 4.06Å; L1094-L1098 HydrophobicContact CD1-CG 4.05Å; L1094-L1098 HydrophobicContact CG-CD1 4.08Å; L1094-L1098 HydrophobicContact CG-CG 4.48Å; L1094-L1098 VanDerWaalsContact O-CG 3.3Å; L1094-L1098 WeakPolarHBondContact O-CG 3.44Å; L1094-L1098 PolarHBondContact O-N 2.89Å; L1094-S1117 VanDerWaalsContact CD1-OG 3.25Å; L1094-S1117 WeakPolarHBondContact CD1-OG 3.5Å; L1094-L1122 HydrophobicContact CD1-CD1 4.17Å; L1094-L1122 HydrophobicContact CD1-CD2 3.67Å; L1094-L1122 HydrophobicContact CD1-CG 4.08Å
1095	H	97.9	Very high	97.1	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-60.7	-42.5	177.7	-66.8	165.5	0	0	0	112.4	T384 L1060 V1091 D1092 Y1093 L1098 V1099	T384-H1095 WeakPolarHBondContact CA-ND1 3.48Å; L1060-H1095 HydrophobicContact CD1-CB 4.24Å; V1091-H1095 WeakPolarHBondContact CG1-CE1 2.97Å; V1091-H1095 VanDerWaalsContact O-CG 3.25Å; V1091-H1095 PolarHBondContact O-N 3.22Å; D1092-H1095 PolarHBondContact O-N 3.44Å; Y1093-H1095 VanDerWaalsContact C-N 3.32Å; Y1093-H1095 PolarHBondContact O-N 3.45Å; H1095-L1098 PolarHBondContact O-N 3.39Å; H1095-V1099 WeakPolarHBondContact O-CB 3.29Å; H1095-V1099 WeakPolarHBondContact O-CG2 3.46Å; H1095-V1099 PolarHBondContact O-N 2.96Å
1096	C	98.2	Very high	97	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.3	-46.4	175.3	-63.4	0	0	0	0	111.7	L102 D1092 Y1093 L1094 L1098 V1099 L1100 T1145	L102-C1096 HydrophobicContact CD2-CB 4.34Å; D1092-C1096 PolarHBondContact O-N 2.94Å; D1092-C1096 PolarHBondContact O-SG 3.29Å; Y1093-C1096 PolarHBondContact O-N 3.25Å; L1094-C1096 VanDerWaalsContact C-N 3.35Å; L1094-C1096 PolarHBondContact O-N 3.01Å; C1096-L1098 PolarHBondContact O-N 3.47Å; C1096-V1099 PolarHBondContact O-N 3.37Å; C1096-L1100 WeakPolarHBondContact O-CB 3.37Å; C1096-L1100 WeakPolarHBondContact O-CD1 3.37Å; C1096-L1100 VanDerWaalsContact O-CG 3.28Å; C1096-L1100 WeakPolarHBondContact O-CG 3.37Å; C1096-L1100 PolarHBondContact O-N 3.16Å; C1096-T1145 HydrophobicContact CB-CG2 3.66Å
1097	M	97.3	Very high	97.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-56.6	-47.8	176.5	-79.7	-68.8	-63.1	0	0	111.9	Y1093 L1094 L1100 M1101 L1122 S1141 N1142 T1145 F1165	Y1093-M1097 HydrophobicContact CD1-CG 3.84Å; Y1093-M1097 HydrophobicContact CE1-CG 3.67Å; Y1093-M1097 HydrophobicContact CE1-SD 4.27Å; Y1093-M1097 PolarHBondContact O-N 3.28Å; L1094-M1097 WeakPolarHBondContact O-CB 3.45Å; L1094-M1097 PolarHBondContact O-N 2.75Å; M1097-L1100 PolarHBondContact O-N 2.77Å; M1097-M1101 VanDerWaalsContact O-CB 3.32Å; M1097-M1101 WeakPolarHBondContact O-CB 3.31Å; M1097-M1101 WeakPolarHBondContact O-CG 3.34Å; M1097-M1101 PolarHBondContact O-N 3.24Å; M1097-L1122 HydrophobicContact CB-CD1 3.76Å; M1097-L1122 HydrophobicContact CE-CD1 3.79Å; M1097-L1122 HydrophobicContact CG-CD1 4.23Å; M1097-S1141 WeakPolarHBondContact CE-OG 3.44Å; M1097-N1142 HydrophobicContact CE-CB 4.29Å; M1097-N1142 WeakPolarHBondContact SD-CA 3.15Å; M1097-N1142 HydrophobicContact SD-CB 3.96Å; M1097-N1142 PolarHBondContact SD-N 3.42Å; M1097-N1142 VanDerWaalsContact SD-N 3.38Å; M1097-T1145 HydrophobicContact CG-CG2 4.27Å; M1097-T1145 PolarHBondContact N-OG1 3.23Å; M1097-F1165 HydrophobicContact CE-CE2 4.13Å; M1097-F1165 HydrophobicContact CE-CZ 3.76Å
1098	L	97.6	Very high	97.1	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-44	-179.4	-69.1	175	0	0	0	112	E390 M391 L1094 H1095 C1096 M1101 R1102 L1114 L1122	E390-L1098 HydrophobicContact CB-CB 4.39Å; E390-L1098 HydrophobicContact CB-CD1 4.37Å; M391-L1098 HydrophobicContact CG-CD1 3.5Å; M391-L1098 VanDerWaalsContact CG-CD1 3.5Å; M391-L1098 HydrophobicContact SD-CD1 4.05Å; L1094-L1098 HydrophobicContact CD1-CD1 4.06Å; L1094-L1098 HydrophobicContact CD1-CG 4.05Å; L1094-L1098 HydrophobicContact CG-CD1 4.08Å; L1094-L1098 HydrophobicContact CG-CG 4.48Å; L1094-L1098 VanDerWaalsContact O-CG 3.3Å; L1094-L1098 WeakPolarHBondContact O-CG 3.44Å; L1094-L1098 PolarHBondContact O-N 2.89Å; H1095-L1098 PolarHBondContact O-N 3.39Å; C1096-L1098 PolarHBondContact O-N 3.47Å; L1098-M1101 PolarHBondContact O-N 3.48Å; L1098-R1102 VanDerWaalsContact O-CB 3.29Å; L1098-R1102 WeakPolarHBondContact O-CB 3.27Å; L1098-R1102 PolarHBondContact O-N 3.28Å; L1098-L1114 HydrophobicContact CD2-CD1 3.99Å; L1098-L1114 HydrophobicContact CD2-CD2 3.87Å; L1098-L1122 HydrophobicContact CD2-CD2 3.65Å; L1098-L1122 HydrophobicContact CG-CD2 4.44Å
1099	V	98	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-49	176.5	166.8	0	0	0	0	111.1	L102 V105 A106 L109 A383 C386 H1095 C1096 R1102 W1103	L102-V1099 HydrophobicContact CD1-CB 4.44Å; L102-V1099 HydrophobicContact CD1-CG1 3.9Å; V105-V1099 HydrophobicContact CG1-CG1 3.72Å; A106-V1099 HydrophobicContact CB-CG1 4Å; L109-V1099 HydrophobicContact CD1-CG1 4.22Å; L109-V1099 WeakPolarHBondContact CD1-O 3.39Å; A383-V1099 HydrophobicContact CB-CG2 3.99Å; C386-V1099 HydrophobicContact CB-CG2 3.67Å; H1095-V1099 WeakPolarHBondContact O-CB 3.29Å; H1095-V1099 WeakPolarHBondContact O-CG2 3.46Å; H1095-V1099 PolarHBondContact O-N 2.96Å; C1096-V1099 PolarHBondContact O-N 3.37Å; V1099-R1102 PolarHBondContact O-N 2.91Å; V1099-W1103 WeakPolarHBondContact O-CB 3.47Å; V1099-W1103 PolarHBondContact O-N 2.99Å
1100	L	98	Very high	96.9	Very high	3 Å²	3	23 Å²	23	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-68.6	-39	-177.7	-70.3	165.7	0	0	0	111.8	L102 C1096 M1097 W1103 L1104 L1144 T1145	L102-L1100 HydrophobicContact CD1-CD1 4.2Å; L102-L1100 HydrophobicContact CD1-CD2 3.99Å; L102-L1100 HydrophobicContact CD1-CG 3.85Å; C1096-L1100 WeakPolarHBondContact O-CB 3.37Å; C1096-L1100 WeakPolarHBondContact O-CD1 3.37Å; C1096-L1100 VanDerWaalsContact O-CG 3.28Å; C1096-L1100 WeakPolarHBondContact O-CG 3.37Å; C1096-L1100 PolarHBondContact O-N 3.16Å; M1097-L1100 PolarHBondContact O-N 2.77Å; L1100-W1103 HydrophobicContact CD2-CE3 4.41Å; L1100-W1103 WeakPolarHBondContact O-CB 3.33Å; L1100-W1103 PolarHBondContact O-N 3.01Å; L1100-L1104 WeakPolarHBondContact O-CG 3.2Å; L1100-L1104 PolarHBondContact O-N 3.4Å; L1100-L1144 HydrophobicContact CD1-CB 3.61Å; L1100-L1144 HydrophobicContact CD2-CB 4.32Å; L1100-L1144 HydrophobicContact CD2-CD1 3.96Å; L1100-T1145 WeakPolarHBondContact CD1-OG1 3.14Å
1101	M	97.6	Very high	96.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-62.5	-45.3	172.2	-81.5	-60.8	-68.1	0	0	111.7	M1097 L1098 W1103 L1104 I1105 Y1124 V1134 A1137 L1138	M1097-M1101 VanDerWaalsContact O-CB 3.32Å; M1097-M1101 WeakPolarHBondContact O-CB 3.31Å; M1097-M1101 WeakPolarHBondContact O-CG 3.34Å; M1097-M1101 PolarHBondContact O-N 3.24Å; L1098-M1101 PolarHBondContact O-N 3.48Å; M1101-W1103 VanDerWaalsContact C-N 3.27Å; M1101-W1103 PolarHBondContact O-N 2.98Å; M1101-L1104 PolarHBondContact O-N 3.35Å; M1101-I1105 WeakPolarHBondContact O-CB 3.38Å; M1101-I1105 VanDerWaalsContact O-CG1 3.26Å; M1101-I1105 WeakPolarHBondContact O-CG1 3.46Å; M1101-I1105 PolarHBondContact O-N 3.31Å; M1101-Y1124 HydrophobicContact CB-CE1 4.4Å; M1101-Y1124 HydrophobicContact CB-CE2 4.4Å; M1101-Y1124 WeakPolarHBondContact CB-OH 3.34Å; M1101-Y1124 HydrophobicContact CE-CD1 4.39Å; M1101-Y1124 HydrophobicContact CE-CD2 3.95Å; M1101-Y1124 HydrophobicContact CE-CE1 4.25Å; M1101-Y1124 HydrophobicContact CE-CE2 3.78Å; M1101-Y1124 HydrophobicContact CE-CG 4.26Å; M1101-Y1124 HydrophobicContact CG-CE2 4.06Å; M1101-V1134 HydrophobicContact CE-CG1 4.41Å; M1101-A1137 HydrophobicContact CE-CB 4.09Å; M1101-A1137 VanDerWaalsContact SD-C 3.52Å; M1101-A1137 HydrophobicContact SD-CB 3.89Å; M1101-L1138 HydrophobicContact CE-CD1 3.85Å; M1101-L1138 HydrophobicContact CG-CD1 4.22Å; M1101-L1138 HydrophobicContact SD-CB 4.41Å; M1101-L1138 HydrophobicContact SD-CD1 3.87Å
1102	R	96.7	Very high	96.7	Very high	57 Å²	57	25.9 Å²	25.9	22%	0.215	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-39	177.1	-174.2	65.2	176.5	179.8	9	111.6	L109 E390 L1098 V1099 N1106	L109-R1102 HydrophobicContact CD1-CB 3.91Å; L109-R1102 HydrophobicContact CD1-CG 3.87Å; L109-R1102 HydrophobicContact CD2-CG 3.95Å; E390-R1102 IonicContact OE1-CZ 2.85Å; E390-R1102 IonicContact OE1-NE 2.61Å; L1098-R1102 VanDerWaalsContact O-CB 3.29Å; L1098-R1102 WeakPolarHBondContact O-CB 3.27Å; L1098-R1102 PolarHBondContact O-N 3.28Å; V1099-R1102 PolarHBondContact O-N 2.91Å; R1102-N1106 WeakPolarHBondContact O-CB 3.41Å; R1102-N1106 VanDerWaalsContact O-CG 3.29Å; R1102-N1106 PolarHBondContact O-N 3.42Å
1103	W	97	Very high	96.6	Very high	17 Å²	17	27 Å²	27	6%	0.064	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-49.2	173.6	166	70.8	0	0	0	113	P91 L93 H101 V105 V1099 L1100 M1101 I1105 N1106 K1107 L1144	P91-W1103 HydrophobicContact CB-CH2 3.88Å; P91-W1103 HydrophobicContact CB-CZ2 4.46Å; P91-W1103 HydrophobicContact CG-CH2 4.45Å; L93-W1103 HydrophobicContact CD2-CH2 4.43Å; H101-W1103 AromaticContact CE1-CD2 3.99Å; H101-W1103 AromaticContact CE1-CE2 3.47Å; H101-W1103 VanDerWaalsContact CE1-CE2 3.47Å; H101-W1103 AromaticContact CE1-CH2 3.7Å; H101-W1103 AromaticContact CE1-CZ2 3.32Å; H101-W1103 WeakPolarHBondContact CE1-CZ2 3.41Å; H101-W1103 AromaticContact CE1-NE1 3.89Å; H101-W1103 AromaticContact NE2-CD2 3.77Å; H101-W1103 AromaticContact NE2-CE2 3.63Å; H101-W1103 AromaticContact NE2-CE3 3.65Å; H101-W1103 AromaticContact NE2-CH2 3.31Å; H101-W1103 VanDerWaalsContact NE2-CH2 3.31Å; H101-W1103 WeakPolarHBondContact NE2-CH2 3.26Å; H101-W1103 AromaticContact NE2-CZ2 3.43Å; H101-W1103 WeakPolarHBondContact NE2-CZ2 3.31Å; H101-W1103 AromaticContact NE2-CZ3 3.43Å; H101-W1103 WeakPolarHBondContact NE2-CZ3 3.34Å; V105-W1103 HydrophobicContact CG1-CB 3.45Å; V105-W1103 VanDerWaalsContact CG1-CB 3.45Å; V105-W1103 HydrophobicContact CG1-CG 3.83Å; V105-W1103 HydrophobicContact CG2-CB 4.43Å; V105-W1103 HydrophobicContact CG2-CD2 4.32Å; V105-W1103 HydrophobicContact CG2-CG 3.89Å; V1099-W1103 WeakPolarHBondContact O-CB 3.47Å; V1099-W1103 PolarHBondContact O-N 2.99Å; L1100-W1103 HydrophobicContact CD2-CE3 4.41Å; L1100-W1103 WeakPolarHBondContact O-CB 3.33Å; L1100-W1103 PolarHBondContact O-N 3.01Å; M1101-W1103 VanDerWaalsContact C-N 3.27Å; M1101-W1103 PolarHBondContact O-N 2.98Å; W1103-I1105 VanDerWaalsContact C-N 3.3Å; W1103-I1105 PolarHBondContact O-N 2.85Å; W1103-N1106 PolarHBondContact O-N 2.96Å; W1103-K1107 HydrophobicContact CZ2-CD 3.61Å; W1103-K1107 VanDerWaalsContact O-CB 3.28Å; W1103-K1107 WeakPolarHBondContact O-CB 3.33Å; W1103-K1107 PolarHBondContact O-N 3.2Å; W1103-L1144 HydrophobicContact CZ3-CD1 3.96Å
1104	L	97.3	Very high	96.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-42.8	177.8	-70.5	169.8	0	0	0	111.2	P91 L1100 M1101 N1106 K1107 F1108 A1137 I1140	P91-L1104 HydrophobicContact CG-CD2 3.99Å; L1100-L1104 WeakPolarHBondContact O-CG 3.2Å; L1100-L1104 PolarHBondContact O-N 3.4Å; M1101-L1104 PolarHBondContact O-N 3.35Å; L1104-N1106 PolarHBondContact O-N 2.89Å; L1104-K1107 PolarHBondContact O-N 2.81Å; L1104-F1108 HydrophobicContact CD2-CD2 4.23Å; L1104-F1108 HydrophobicContact CD2-CE2 3.9Å; L1104-F1108 WeakPolarHBondContact O-CD2 3.33Å; L1104-F1108 PolarHBondContact O-N 3.28Å; L1104-A1137 HydrophobicContact CB-CB 4.25Å; L1104-A1137 HydrophobicContact CD1-CB 3.88Å; L1104-A1137 VanDerWaalsContact CD1-O 3.31Å; L1104-A1137 WeakPolarHBondContact CD1-O 3.35Å; L1104-I1140 HydrophobicContact CD1-CB 4.22Å; L1104-I1140 HydrophobicContact CD1-CG2 4.09Å
1105	I	96	Very high	96.4	Very high	15 Å²	15	26.9 Å²	26.9	8%	0.077	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-49	174.4	-76.1	166.6	0	0	0	110.9	M1101 W1103 K1109 I1110 A1112 Y1124	M1101-I1105 WeakPolarHBondContact O-CB 3.38Å; M1101-I1105 VanDerWaalsContact O-CG1 3.26Å; M1101-I1105 WeakPolarHBondContact O-CG1 3.46Å; M1101-I1105 PolarHBondContact O-N 3.31Å; W1103-I1105 VanDerWaalsContact C-N 3.3Å; W1103-I1105 PolarHBondContact O-N 2.85Å; I1105-K1109 CarbonylContact O-C 3.5Å; I1105-K1109 VanDerWaalsContact O-CA 3.25Å; I1105-K1109 WeakPolarHBondContact O-CA 3.48Å; I1105-K1109 PolarHBondContact O-N 3.5Å; I1105-I1110 HydrophobicContact CG1-CB 4.37Å; I1105-I1110 WeakPolarHBondContact CG2-O 3.18Å; I1105-I1110 PolarHBondContact O-N 3.24Å; I1105-A1112 HydrophobicContact CD1-CB 3.97Å; I1105-A1112 HydrophobicContact CG1-CB 4.17Å; I1105-Y1124 HydrophobicContact CD1-CD1 4.21Å; I1105-Y1124 HydrophobicContact CD1-CE1 3.99Å
1106	N	94.5	Very high	96.3	Very high	61 Å²	61	27 Å²	27	33%	0.326	13%	0.128	S	C	.	.	H	α-helix	trans	-69.8	-41.4	-178.7	-74.5	-4.4	0	0	0	113	L109 R1102 W1103 L1104 K1109	L109-N1106 WeakPolarHBondContact CD2-ND2 3.49Å; R1102-N1106 WeakPolarHBondContact O-CB 3.41Å; R1102-N1106 VanDerWaalsContact O-CG 3.29Å; R1102-N1106 PolarHBondContact O-N 3.42Å; W1103-N1106 PolarHBondContact O-N 2.96Å; L1104-N1106 PolarHBondContact O-N 2.89Å; N1106-K1109 WeakPolarHBondContact O-CD 3.35Å; N1106-K1109 PolarHBondContact O-NZ 3.29Å
1107	K	95.1	Very high	96.1	Very high	85 Å²	85	27.2 Å²	27.2	37%	0.37	13%	0.129	S	C	.	.	H	α-helix	trans	-66.8	-41	-177.5	-177.7	168.1	-179	169.1	0	111.7	D92 W1103 L1104	D92-K1107 PolarHBondContact O-NZ 3.48Å; W1103-K1107 HydrophobicContact CZ2-CD 3.61Å; W1103-K1107 VanDerWaalsContact O-CB 3.28Å; W1103-K1107 WeakPolarHBondContact O-CB 3.33Å; W1103-K1107 PolarHBondContact O-N 3.2Å; L1104-K1107 PolarHBondContact O-N 2.81Å
1108	F	95.8	Very high	95.7	Very high	43 Å²	43	28 Å²	28	19%	0.189	13%	0.133	C	C	.	.	H	α-helix	trans	-103.2	4.4	-177.4	-64.7	-76.6	0	0	0	114	P91 L1104 I1110 M1216 K1217	P91-F1108 HydrophobicContact CB-CE2 4.05Å; P91-F1108 HydrophobicContact CB-CZ 3.95Å; P91-F1108 HydrophobicContact CG-CE2 3.9Å; P91-F1108 HydrophobicContact CG-CZ 3.98Å; L1104-F1108 HydrophobicContact CD2-CD2 4.23Å; L1104-F1108 HydrophobicContact CD2-CE2 3.9Å; L1104-F1108 WeakPolarHBondContact O-CD2 3.33Å; L1104-F1108 PolarHBondContact O-N 3.28Å; F1108-I1110 VanDerWaalsContact C-N 3.28Å; F1108-I1110 HydrophobicContact CB-CD1 4.01Å; F1108-I1110 HydrophobicContact CB-CG1 3.79Å; F1108-I1110 PolarHBondContact O-N 3.1Å; F1108-M1216 HydrophobicContact CD1-CB 3.86Å; F1108-M1216 HydrophobicContact CD2-CB 4.02Å; F1108-M1216 HydrophobicContact CD2-CE 3.93Å; F1108-M1216 HydrophobicContact CD2-CG 4.47Å; F1108-M1216 HydrophobicContact CE1-CB 3.55Å; F1108-M1216 HydrophobicContact CE2-CB 3.72Å; F1108-M1216 HydrophobicContact CE2-CE 4.34Å; F1108-M1216 HydrophobicContact CE2-CG 4.04Å; F1108-M1216 HydrophobicContact CG-CB 4.09Å; F1108-M1216 HydrophobicContact CG-CE 4.42Å; F1108-M1216 HydrophobicContact CZ-CB 3.48Å; F1108-M1216 VanDerWaalsContact CZ-CB 3.48Å; F1108-M1216 HydrophobicContact CZ-CG 4.15Å; F1108-K1217 HydrophobicContact CD1-CG 4.29Å; F1108-K1217 HydrophobicContact CE1-CG 4.16Å
1109	K	94.7	Very high	95	Very high	171 Å²	171	31 Å²	31	74%	0.743	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	43.7	-179.5	-56.3	-60.5	-179.1	-169.5	0	112.7	I1105 N1106 P1111	I1105-K1109 CarbonylContact O-C 3.5Å; I1105-K1109 VanDerWaalsContact O-CA 3.25Å; I1105-K1109 WeakPolarHBondContact O-CA 3.48Å; I1105-K1109 PolarHBondContact O-N 3.5Å; N1106-K1109 WeakPolarHBondContact O-CD 3.35Å; N1106-K1109 PolarHBondContact O-NZ 3.29Å; K1109-P1111 WeakPolarHBondContact O-CD 3.45Å
1110	I	95	Very high	94.5	Very high	5 Å²	5	34 Å²	34	3%	0.026	16%	0.163	C	C	.	.			trans	-78.6	122	-178.5	-52.7	171	0	0	0	108.2	I1105 F1108 A1112 H1130 Q1133 V1134 A1137 M1216	I1105-I1110 HydrophobicContact CG1-CB 4.37Å; I1105-I1110 WeakPolarHBondContact CG2-O 3.18Å; I1105-I1110 PolarHBondContact O-N 3.24Å; F1108-I1110 VanDerWaalsContact C-N 3.28Å; F1108-I1110 HydrophobicContact CB-CD1 4.01Å; F1108-I1110 HydrophobicContact CB-CG1 3.79Å; F1108-I1110 PolarHBondContact O-N 3.1Å; I1110-A1112 HydrophobicContact CG2-CB 4.04Å; I1110-A1112 PolarHBondContact O-N 2.94Å; I1110-H1130 HydrophobicContact CG2-CB 4.48Å; I1110-Q1133 HydrophobicContact CD1-CG 4.15Å; I1110-Q1133 HydrophobicContact CG1-CG 4.43Å; I1110-V1134 HydrophobicContact CG2-CG2 3.54Å; I1110-A1137 HydrophobicContact CD1-CB 4.48Å; I1110-M1216 HydrophobicContact CD1-CE 3.61Å
1111	P	94.2	Very high	94.2	Very high	57 Å²	57	34.5 Å²	34.5	37%	0.37	17%	0.165	S	C	.	.			trans	-75.8	71.5	177.2	31.1	-33	0	0	0	110.3	K1109 P1127 H1130	K1109-P1111 WeakPolarHBondContact O-CD 3.45Å; P1111-P1127 HydrophobicContact CB-CG 4.23Å; P1111-P1127 HydrophobicContact CG-CG 3.8Å; P1111-P1127 WeakPolarHBondContact O-CD 3.39Å; P1111-H1130 WeakPolarHBondContact CD-CD2 3.44Å
1112	A	95.7	Very high	94.1	Very high	14 Å²	14	34.6 Å²	34.6	12%	0.116	17%	0.166	C	C	.	.			trans	-124.2	142.2	179.3	0	0	0	0	0	111.4	I1105 I1110 I1125 C1126 V1134	I1105-A1112 HydrophobicContact CD1-CB 3.97Å; I1105-A1112 HydrophobicContact CG1-CB 4.17Å; I1110-A1112 HydrophobicContact CG2-CB 4.04Å; I1110-A1112 PolarHBondContact O-N 2.94Å; A1112-I1125 VanDerWaalsContact CA-O 3.28Å; A1112-I1125 WeakPolarHBondContact CA-O 3.42Å; A1112-C1126 HydrophobicContact CB-CB 4.1Å; A1112-V1134 HydrophobicContact CB-CG2 3.98Å
1113	R	95.7	Very high	94.1	Very high	24 Å²	24	32.3 Å²	32.3	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.5	178.1	-178.4	175.3	-178.6	172.4	-5.3	110.5	E235 L237 L238 C1115 Y1124 I1125	E235-R1113 PolarHBondContact O-NH2 3.38Å; L237-R1113 PolarHBondContact O-NH1 3.09Å; L238-R1113 WeakPolarHBondContact O-CD 3.42Å; L238-R1113 PolarHBondContact O-NH1 3.05Å; R1113-C1115 PolarHBondContact O-N 3.41Å; R1113-Y1124 CarbonylContact O-C 3.54Å; R1113-Y1124 VanDerWaalsContact O-CA 3.25Å; R1113-Y1124 WeakPolarHBondContact O-CA 3.29Å; R1113-I1125 HydrophobicContact CB-CG2 3.95Å; R1113-I1125 PolarHBondContact N-O 3.26Å; R1113-I1125 PolarHBondContact O-N 2.97Å
1114	L	96.5	Very high	94.2	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	121.2	172.7	-178.4	67.8	0	0	0	109.5	M394 L1098 L1122 Y1124	M394-L1114 HydrophobicContact CE-CD2 4.45Å; M394-L1114 HydrophobicContact CG-CD2 4.11Å; M394-L1114 HydrophobicContact CG-CG 4.44Å; L1098-L1114 HydrophobicContact CD2-CD1 3.99Å; L1098-L1114 HydrophobicContact CD2-CD2 3.87Å; L1114-L1122 HydrophobicContact CD1-CD2 4.03Å; L1114-Y1124 HydrophobicContact CB-CD1 4.42Å; L1114-Y1124 HydrophobicContact CB-CE1 4.06Å; L1114-Y1124 HydrophobicContact CD1-CE1 4.15Å; L1114-Y1124 HydrophobicContact CD1-CE2 4.17Å
1115	C	96.1	Very high	94.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-59	178.8	-168.4	0	0	0	0	109.5	M394 Y395 F910 R1113 R1123	M394-C1115 WeakPolarHBondContact CB-O 3.42Å; Y395-C1115 PolarHBondContact N-O 3.4Å; Y395-C1115 CarbonylContact O-C 3.48Å; Y395-C1115 VanDerWaalsContact O-CA 3.24Å; Y395-C1115 WeakPolarHBondContact O-CA 3.33Å; Y395-C1115 PolarHBondContact O-SG 2.99Å; F910-C1115 HydrophobicContact CD1-CB 4.31Å; F910-C1115 HydrophobicContact CE1-CB 4.33Å; F910-C1115 WeakPolarHBondContact CE1-SG 3.31Å; R1113-C1115 PolarHBondContact O-N 3.41Å; C1115-R1123 WeakPolarHBondContact CA-O 3.49Å; C1115-R1123 HydrophobicContact CB-CB 4.21Å; C1115-R1123 VanDerWaalsContact CB-O 3.24Å; C1115-R1123 WeakPolarHBondContact CB-O 3.44Å; C1115-R1123 PolarHBondContact N-O 3.13Å
1116	I	95.7	Very high	94.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	152	176.2	-167.8	164.8	0	0	0	111.1	M394 L396 W883 L884 I1118 R1123 I1174	M394-I1116 HydrophobicContact SD-CG1 4.06Å; L396-I1116 HydrophobicContact CD2-CB 3.94Å; L396-I1116 HydrophobicContact CD2-CD1 4.23Å; L396-I1116 HydrophobicContact CD2-CG2 4.38Å; W883-I1116 HydrophobicContact CB-CD1 3.72Å; L884-I1116 HydrophobicContact CD2-CD1 4.44Å; L884-I1116 HydrophobicContact CD2-CG1 4.49Å; I1116-I1118 HydrophobicContact CD1-CD1 4.1Å; I1116-I1118 HydrophobicContact CD1-CG1 3.83Å; I1116-I1118 HydrophobicContact CG1-CG1 3.89Å; I1116-I1118 HydrophobicContact CG2-CG1 4.43Å; I1116-R1123 HydrophobicContact CG2-CB 3.98Å; I1116-R1123 HydrophobicContact CG2-CG 4.08Å; I1116-R1123 PolarHBondContact N-O 2.91Å; I1116-R1123 PolarHBondContact O-N 3.33Å; I1116-I1174 HydrophobicContact CG2-CD1 4.02Å
1117	S	94.4	Very high	94.3	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.6	163	177.1	0	0	0	0	110	L884 L1094 E1121	L884-S1117 WeakPolarHBondContact CD2-O 3.44Å; L1094-S1117 VanDerWaalsContact CD1-OG 3.25Å; L1094-S1117 WeakPolarHBondContact CD1-OG 3.5Å; S1117-E1121 CarbonylContact C-O 3.56Å; S1117-E1121 VanDerWaalsContact CA-O 3.24Å; S1117-E1121 WeakPolarHBondContact CA-O 3.09Å; S1117-E1121 PolarHBondContact OG-O 3.19Å
1118	I	88.9	Confident	94.4	Very high	19 Å²	19	28.3 Å²	28.3	10%	0.097	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	82.2	177	-48.6	176.3	0	0	0	107.9	L884 I1116 D1120 E1121	L884-I1118 HydrophobicContact CD2-CB 4.42Å; L884-I1118 HydrophobicContact CD2-CG1 4.15Å; L884-I1118 HydrophobicContact CD2-CG2 4.47Å; I1116-I1118 HydrophobicContact CD1-CD1 4.1Å; I1116-I1118 HydrophobicContact CD1-CG1 3.83Å; I1116-I1118 HydrophobicContact CG1-CG1 3.89Å; I1116-I1118 HydrophobicContact CG2-CG1 4.43Å; I1118-D1120 PolarHBondContact O-N 3.31Å; I1118-E1121 HydrophobicContact CB-CB 4.24Å; I1118-E1121 PolarHBondContact N-O 2.55Å; I1118-E1121 PolarHBondContact O-N 3.14Å
1119	H	81.8	Confident	94.3	Very high	63 Å²	63	30.3 Å²	30.3	29%	0.292	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-90.9	-177	-53.9	-44.2	0	0	0	113.5
1120	D	87.9	Confident	94.4	Very high	62 Å²	62	24 Å²	24	33%	0.332	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.2	179.6	45.4	-4.4	0	0	0	113.5	D914 V915 I1118	D914-D1120 VanDerWaalsContact OD1-CG 3.31Å; V915-D1120 HydrophobicContact CB-CB 4.31Å; V915-D1120 WeakPolarHBondContact CG2-O 3.2Å; V915-D1120 PolarHBondContact N-O 3.42Å; I1118-D1120 PolarHBondContact O-N 3.31Å
1121	E	92.1	Very high	94.5	Very high	14 Å²	14	25 Å²	25	7%	0.065	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.2	177.5	-172.3	179.2	179.7	0	0	111.6	K899 A913 S1117 I1118 R1123	K899-E1121 IonicContact NZ-OE2 2.98Å; A913-E1121 WeakPolarHBondContact O-CA 3.37Å; S1117-E1121 CarbonylContact C-O 3.56Å; S1117-E1121 VanDerWaalsContact CA-O 3.24Å; S1117-E1121 WeakPolarHBondContact CA-O 3.09Å; S1117-E1121 PolarHBondContact OG-O 3.19Å; I1118-E1121 HydrophobicContact CB-CB 4.24Å; I1118-E1121 PolarHBondContact N-O 2.55Å; I1118-E1121 PolarHBondContact O-N 3.14Å; E1121-R1123 HydrophobicContact CG-CG 4.43Å; E1121-R1123 IonicContact OE1-CZ 3.29Å; E1121-R1123 IonicContact OE1-NE 3.93Å; E1121-R1123 PolarHBondContact OE1-NE 3.06Å; E1121-R1123 IonicContact OE1-NH2 2.67Å; E1121-R1123 PolarHBondContact OE1-NH2 3.15Å
1122	L	95.2	Very high	94.7	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.5	174.6	-78.3	164.9	0	0	0	110.4	G912 A913 L1094 M1097 L1098 L1114 Y1124	G912-L1122 CarbonylContact C-O 3.55Å; G912-L1122 WeakPolarHBondContact CA-O 3.41Å; A913-L1122 PolarHBondContact N-O 2.8Å; A913-L1122 VanDerWaalsContact N-O 3.12Å; A913-L1122 PolarHBondContact O-N 3.05Å; L1094-L1122 HydrophobicContact CD1-CD1 4.17Å; L1094-L1122 HydrophobicContact CD1-CD2 3.67Å; L1094-L1122 HydrophobicContact CD1-CG 4.08Å; M1097-L1122 HydrophobicContact CB-CD1 3.76Å; M1097-L1122 HydrophobicContact CE-CD1 3.79Å; M1097-L1122 HydrophobicContact CG-CD1 4.23Å; L1098-L1122 HydrophobicContact CD2-CD2 3.65Å; L1098-L1122 HydrophobicContact CG-CD2 4.44Å; L1114-L1122 HydrophobicContact CD1-CD2 4.03Å; L1122-Y1124 HydrophobicContact CB-CE2 4.48Å
1123	R	97.1	Very high	94.7	Very high	9 Å²	9	25 Å²	25	3%	0.034	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.1	177	-61.4	-73.2	173.1	-158.2	-0.5	110.3	G912 C1115 I1116 E1121 I1174 R1175	G912-R1123 PolarHBondContact O-NH1 3.38Å; C1115-R1123 WeakPolarHBondContact CA-O 3.49Å; C1115-R1123 HydrophobicContact CB-CB 4.21Å; C1115-R1123 VanDerWaalsContact CB-O 3.24Å; C1115-R1123 WeakPolarHBondContact CB-O 3.44Å; C1115-R1123 PolarHBondContact N-O 3.13Å; I1116-R1123 HydrophobicContact CG2-CB 3.98Å; I1116-R1123 HydrophobicContact CG2-CG 4.08Å; I1116-R1123 PolarHBondContact N-O 2.91Å; I1116-R1123 PolarHBondContact O-N 3.33Å; E1121-R1123 HydrophobicContact CG-CG 4.43Å; E1121-R1123 IonicContact OE1-CZ 3.29Å; E1121-R1123 IonicContact OE1-NE 3.93Å; E1121-R1123 PolarHBondContact OE1-NE 3.06Å; E1121-R1123 IonicContact OE1-NH2 2.67Å; E1121-R1123 PolarHBondContact OE1-NH2 3.15Å; R1123-I1174 HydrophobicContact CG-CG2 4.49Å; R1123-R1175 PolarHBondContact NH2-O 2.99Å
1124	Y	97.9	Very high	94.8	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.1	171.4	-71.5	-95.4	0	0	0	109.9	F910 V911 M1101 I1105 R1113 L1114 L1122 L1138	F910-Y1124 CarbonylContact C-O 3.58Å; F910-Y1124 WeakPolarHBondContact CA-O 3.47Å; V911-Y1124 PolarHBondContact N-O 3.48Å; V911-Y1124 PolarHBondContact O-N 3.28Å; M1101-Y1124 HydrophobicContact CB-CE1 4.4Å; M1101-Y1124 HydrophobicContact CB-CE2 4.4Å; M1101-Y1124 WeakPolarHBondContact CB-OH 3.34Å; M1101-Y1124 HydrophobicContact CE-CD1 4.39Å; M1101-Y1124 HydrophobicContact CE-CD2 3.95Å; M1101-Y1124 HydrophobicContact CE-CE1 4.25Å; M1101-Y1124 HydrophobicContact CE-CE2 3.78Å; M1101-Y1124 HydrophobicContact CE-CG 4.26Å; M1101-Y1124 HydrophobicContact CG-CE2 4.06Å; I1105-Y1124 HydrophobicContact CD1-CD1 4.21Å; I1105-Y1124 HydrophobicContact CD1-CE1 3.99Å; R1113-Y1124 CarbonylContact O-C 3.54Å; R1113-Y1124 VanDerWaalsContact O-CA 3.25Å; R1113-Y1124 WeakPolarHBondContact O-CA 3.29Å; L1114-Y1124 HydrophobicContact CB-CD1 4.42Å; L1114-Y1124 HydrophobicContact CB-CE1 4.06Å; L1114-Y1124 HydrophobicContact CD1-CE1 4.15Å; L1114-Y1124 HydrophobicContact CD1-CE2 4.17Å; L1122-Y1124 HydrophobicContact CB-CE2 4.48Å; Y1124-L1138 HydrophobicContact CD2-CD1 3.95Å; Y1124-L1138 HydrophobicContact CE2-CD1 3.87Å
1125	I	98	Very high	94.9	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.1	167.5	-177.2	159.5	0	0	0	109.6	L238 P397 Y908 V909 F910 A1112 R1113	L238-I1125 HydrophobicContact CD1-CD1 3.94Å; P397-I1125 HydrophobicContact CG-CD1 3.83Å; Y908-I1125 HydrophobicContact CD1-CD1 4.4Å; Y908-I1125 HydrophobicContact CD1-CG1 3.98Å; Y908-I1125 HydrophobicContact CG-CG1 4.5Å; V909-I1125 WeakPolarHBondContact O-CA 3.46Å; F910-I1125 HydrophobicContact CD1-CB 3.98Å; F910-I1125 HydrophobicContact CD1-CD1 4.47Å; F910-I1125 HydrophobicContact CD1-CG1 4.4Å; F910-I1125 HydrophobicContact CE1-CB 4.07Å; F910-I1125 HydrophobicContact CE1-CD1 3.93Å; F910-I1125 HydrophobicContact CE1-CG1 4.32Å; A1112-I1125 VanDerWaalsContact CA-O 3.28Å; A1112-I1125 WeakPolarHBondContact CA-O 3.42Å; R1113-I1125 HydrophobicContact CB-CG2 3.95Å; R1113-I1125 PolarHBondContact N-O 3.26Å; R1113-I1125 PolarHBondContact O-N 2.97Å
1126	C	97.1	Very high	94.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	163	175.5	68.8	0	0	0	0	111.8	Y908 V909 A1112 V1134	Y908-C1126 WeakPolarHBondContact CA-O 3.22Å; Y908-C1126 WeakPolarHBondContact CD1-O 3.28Å; V909-C1126 PolarHBondContact N-O 3.2Å; V909-C1126 PolarHBondContact O-N 2.91Å; A1112-C1126 HydrophobicContact CB-CB 4.1Å; C1126-V1134 HydrophobicContact CB-CG2 3.88Å
1127	P	96.5	Very high	95	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	144.9	167.3	-23.9	33.7	0	0	0	111.6	G907 Y908 P1111 S1129 H1130	G907-P1127 WeakPolarHBondContact O-CA 3.33Å; Y908-P1127 HydrophobicContact CD1-CG 4.29Å; Y908-P1127 HydrophobicContact CE1-CB 4.45Å; Y908-P1127 HydrophobicContact CE1-CG 3.68Å; P1111-P1127 HydrophobicContact CB-CG 4.23Å; P1111-P1127 HydrophobicContact CG-CG 3.8Å; P1111-P1127 WeakPolarHBondContact O-CD 3.39Å; P1127-S1129 PolarHBondContact O-N 3.42Å; P1127-S1129 VanDerWaalsContact O-N 3.1Å; P1127-H1130 PolarHBondContact O-N 3.44Å
1128	K	95.9	Very high	95.1	Very high	83 Å²	83	23.1 Å²	23.1	36%	0.361	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-52.3	-34.3	177.5	-77.6	172.7	-175.3	173.6	0	113.2	D852 G907 V909 H1130 M1131	D852-K1128 IonicContact OD2-NZ 2.69Å; G907-K1128 WeakPolarHBondContact O-CG 3.43Å; G907-K1128 PolarHBondContact O-N 2.65Å; V909-K1128 HydrophobicContact CG1-CD 4.5Å; V909-K1128 HydrophobicContact CG1-CG 3.68Å; V909-K1128 HydrophobicContact CG2-CG 4.34Å; K1128-H1130 PolarHBondContact O-N 3.3Å; K1128-M1131 WeakPolarHBondContact O-CG 3.46Å; K1128-M1131 PolarHBondContact O-N 2.82Å
1129	S	94.8	Very high	95.5	Very high	84 Å²	84	22.2 Å²	22.2	59%	0.587	11%	0.112	S	C	*	.	G	3₁₀ helix	trans	-63.1	-21.2	178.6	51.4	0	0	0	0	114.3	P1127	P1127-S1129 PolarHBondContact O-N 3.42Å; P1127-S1129 VanDerWaalsContact O-N 3.1Å
1130	H	96.2	Very high	96.2	Very high	39 Å²	39	19.3 Å²	19.3	18%	0.181	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-109.4	4.6	-176.5	-65	64.7	0	0	0	112.9	I1110 P1111 P1127 K1128 Y1132 Q1133 V1134 L1218	I1110-H1130 HydrophobicContact CG2-CB 4.48Å; P1111-H1130 WeakPolarHBondContact CD-CD2 3.44Å; P1127-H1130 PolarHBondContact O-N 3.44Å; K1128-H1130 PolarHBondContact O-N 3.3Å; H1130-Y1132 PolarHBondContact O-N 3.4Å; H1130-Q1133 PolarHBondContact CD2-OE1 3.16Å; H1130-Q1133 WeakPolarHBondContact O-CB 3.33Å; H1130-Q1133 PolarHBondContact O-N 3.11Å; H1130-Q1133 VanDerWaalsContact O-N 3.08Å; H1130-V1134 WeakPolarHBondContact O-CG2 3.48Å; H1130-V1134 PolarHBondContact O-N 2.88Å; H1130-L1218 VanDerWaalsContact CD2-CD1 3.45Å; H1130-L1218 WeakPolarHBondContact CD2-CD1 3.49Å; H1130-L1218 WeakPolarHBondContact NE2-CD1 3.34Å
1131	M	96.8	Very high	96.7	Very high	25 Å²	25	16.4 Å²	16.4	12%	0.123	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-41.2	-169.8	72.1	-169.1	-168.6	0	0	113.8	V909 V911 K1128 A1135 V1170	V909-M1131 HydrophobicContact CG2-CB 3.68Å; V909-M1131 HydrophobicContact CG2-SD 4.39Å; V911-M1131 HydrophobicContact CG2-CB 4.09Å; K1128-M1131 WeakPolarHBondContact O-CG 3.46Å; K1128-M1131 PolarHBondContact O-N 2.82Å; M1131-A1135 WeakPolarHBondContact O-CB 3.28Å; M1131-A1135 PolarHBondContact O-N 3.4Å; M1131-V1170 HydrophobicContact CB-CG1 4.02Å; M1131-V1170 HydrophobicContact CG-CG1 4.23Å; M1131-V1170 HydrophobicContact SD-CG1 3.81Å
1132	Y	97.5	Very high	96.9	Very high	59 Å²	59	15.7 Å²	15.7	23%	0.231	8%	0.08	C	C	.	.	H	α-helix	trans	-72.6	-32.1	177.3	-57.1	-58.7	0	0	0	112.6	H1130 A1135 L1136 L1203 K1211	H1130-Y1132 PolarHBondContact O-N 3.4Å; Y1132-A1135 PolarHBondContact O-N 2.91Å; Y1132-L1136 PolarHBondContact O-N 3.04Å; Y1132-L1203 HydrophobicContact CD1-CD1 3.71Å; Y1132-L1203 HydrophobicContact CE1-CD1 3.79Å; Y1132-L1203 HydrophobicContact CE1-CD2 4.45Å; Y1132-K1211 HydrophobicContact CD1-CB 3.99Å; Y1132-K1211 HydrophobicContact CD1-CG 4.07Å; Y1132-K1211 HydrophobicContact CD2-CB 4.09Å; Y1132-K1211 HydrophobicContact CE1-CB 4.28Å; Y1132-K1211 HydrophobicContact CE1-CD 4.33Å; Y1132-K1211 HydrophobicContact CE1-CG 3.88Å; Y1132-K1211 HydrophobicContact CE2-CB 4.38Å; Y1132-K1211 HydrophobicContact CE2-CD 4.25Å; Y1132-K1211 HydrophobicContact CE2-CG 4.38Å; Y1132-K1211 HydrophobicContact CG-CB 3.88Å; Y1132-K1211 HydrophobicContact CG-CG 4.39Å
1133	Q	96.7	Very high	97	Very high	12 Å²	12	15.5 Å²	15.5	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-67.8	-41.6	175.8	-168.6	-169.3	25.8	0	0	110.9	I1110 H1130 L1136 A1137 M1216	I1110-Q1133 HydrophobicContact CD1-CG 4.15Å; I1110-Q1133 HydrophobicContact CG1-CG 4.43Å; H1130-Q1133 PolarHBondContact CD2-OE1 3.16Å; H1130-Q1133 WeakPolarHBondContact O-CB 3.33Å; H1130-Q1133 PolarHBondContact O-N 3.11Å; H1130-Q1133 VanDerWaalsContact O-N 3.08Å; Q1133-L1136 PolarHBondContact O-N 3.43Å; Q1133-A1137 PolarHBondContact O-N 2.95Å; Q1133-M1216 HydrophobicContact CG-CE 4.18Å; Q1133-M1216 PolarHBondContact NE2-O 3.06Å
1134	V	97.6	Very high	97	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-39.1	173.2	177.3	0	0	0	0	110.9	V911 M1101 I1110 A1112 C1126 H1130 L1136 A1137 L1138	V911-V1134 HydrophobicContact CB-CB 4.27Å; V911-V1134 HydrophobicContact CB-CG1 3.74Å; V911-V1134 HydrophobicContact CG1-CB 4.25Å; V911-V1134 HydrophobicContact CG1-CG1 3.84Å; V911-V1134 HydrophobicContact CG2-CB 4.24Å; V911-V1134 HydrophobicContact CG2-CG1 4.2Å; M1101-V1134 HydrophobicContact CE-CG1 4.41Å; I1110-V1134 HydrophobicContact CG2-CG2 3.54Å; A1112-V1134 HydrophobicContact CB-CG2 3.98Å; C1126-V1134 HydrophobicContact CB-CG2 3.88Å; H1130-V1134 WeakPolarHBondContact O-CG2 3.48Å; H1130-V1134 PolarHBondContact O-N 2.88Å; V1134-L1136 VanDerWaalsContact C-N 3.35Å; V1134-L1136 PolarHBondContact O-N 3.01Å; V1134-A1137 WeakPolarHBondContact O-CB 3.48Å; V1134-A1137 PolarHBondContact O-N 3.2Å; V1134-L1138 PolarHBondContact O-N 2.91Å
1135	A	97.8	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-42.5	176.4	0	0	0	0	0	111.9	V911 M1131 Y1132 L1138 Q1139 V1168 I1208	V911-A1135 HydrophobicContact CG1-CB 3.96Å; M1131-A1135 WeakPolarHBondContact O-CB 3.28Å; M1131-A1135 PolarHBondContact O-N 3.4Å; Y1132-A1135 PolarHBondContact O-N 2.91Å; A1135-L1138 WeakPolarHBondContact O-CB 3.42Å; A1135-L1138 PolarHBondContact O-N 3.11Å; A1135-Q1139 PolarHBondContact O-N 2.74Å; A1135-Q1139 VanDerWaalsContact O-N 3.12Å; A1135-V1168 HydrophobicContact CB-CB 4.4Å; A1135-V1168 HydrophobicContact CB-CG1 3.86Å; A1135-I1208 HydrophobicContact CB-CD1 3.83Å; A1135-I1208 HydrophobicContact CB-CG1 4.06Å
1136	L	97.3	Very high	97	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-42	173.6	-176.7	58.5	0	0	0	111.7	Y1132 Q1133 V1134 L1138 Q1139 I1140 M1205 I1208 L1209 T1212 M1216	Y1132-L1136 PolarHBondContact O-N 3.04Å; Q1133-L1136 PolarHBondContact O-N 3.43Å; V1134-L1136 VanDerWaalsContact C-N 3.35Å; V1134-L1136 PolarHBondContact O-N 3.01Å; L1136-L1138 VanDerWaalsContact C-N 3.26Å; L1136-L1138 PolarHBondContact O-N 3.04Å; L1136-Q1139 PolarHBondContact O-N 3.12Å; L1136-I1140 HydrophobicContact CD1-CD1 4.11Å; L1136-I1140 HydrophobicContact CD1-CG1 4.29Å; L1136-I1140 HydrophobicContact CG-CD1 3.87Å; L1136-I1140 HydrophobicContact CG-CG1 4.47Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.27Å; L1136-I1140 PolarHBondContact O-N 3.37Å; L1136-M1205 HydrophobicContact CD1-CE 4.09Å; L1136-I1208 HydrophobicContact CB-CG2 3.63Å; L1136-I1208 HydrophobicContact CD1-CG2 4.02Å; L1136-I1208 HydrophobicContact CG-CG2 4.37Å; L1136-L1209 HydrophobicContact CD1-CD2 4.38Å; L1136-T1212 HydrophobicContact CB-CG2 4.36Å; L1136-T1212 HydrophobicContact CD2-CG2 4.3Å; L1136-M1216 HydrophobicContact CB-SD 3.91Å; L1136-M1216 HydrophobicContact CD2-CG 4.12Å; L1136-M1216 HydrophobicContact CD2-SD 3.66Å; L1136-M1216 HydrophobicContact CG-CG 4.5Å; L1136-M1216 HydrophobicContact CG-SD 3.63Å
1137	A	97.4	Very high	97	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.4	-42.5	175.3	0	0	0	0	0	111.8	M1101 L1104 I1110 Q1133 V1134 I1140 S1141 M1216	M1101-A1137 HydrophobicContact CE-CB 4.09Å; M1101-A1137 VanDerWaalsContact SD-C 3.52Å; M1101-A1137 HydrophobicContact SD-CB 3.89Å; L1104-A1137 HydrophobicContact CB-CB 4.25Å; L1104-A1137 HydrophobicContact CD1-CB 3.88Å; L1104-A1137 VanDerWaalsContact CD1-O 3.31Å; L1104-A1137 WeakPolarHBondContact CD1-O 3.35Å; I1110-A1137 HydrophobicContact CD1-CB 4.48Å; Q1133-A1137 PolarHBondContact O-N 2.95Å; V1134-A1137 WeakPolarHBondContact O-CB 3.48Å; V1134-A1137 PolarHBondContact O-N 3.2Å; A1137-I1140 PolarHBondContact O-N 3.08Å; A1137-S1141 WeakPolarHBondContact O-CB 3.43Å; A1137-S1141 PolarHBondContact O-N 3.39Å; A1137-S1141 PolarHBondContact O-OG 2.95Å; A1137-M1216 HydrophobicContact CB-CE 3.69Å; A1137-M1216 HydrophobicContact CB-SD 4.43Å
1138	L	97.1	Very high	97.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-47.1	178.7	-150.1	79.2	0	0	0	110.9	A913 M1101 Y1124 V1134 A1135 L1136 I1140 S1141 N1142 F1165 V1168	A913-L1138 HydrophobicContact CB-CD2 3.52Å; M1101-L1138 HydrophobicContact CE-CD1 3.85Å; M1101-L1138 HydrophobicContact CG-CD1 4.22Å; M1101-L1138 HydrophobicContact SD-CB 4.41Å; M1101-L1138 HydrophobicContact SD-CD1 3.87Å; Y1124-L1138 HydrophobicContact CD2-CD1 3.95Å; Y1124-L1138 HydrophobicContact CE2-CD1 3.87Å; V1134-L1138 PolarHBondContact O-N 2.91Å; A1135-L1138 WeakPolarHBondContact O-CB 3.42Å; A1135-L1138 PolarHBondContact O-N 3.11Å; L1136-L1138 VanDerWaalsContact C-N 3.26Å; L1136-L1138 PolarHBondContact O-N 3.04Å; L1138-I1140 PolarHBondContact O-N 3.15Å; L1138-S1141 WeakPolarHBondContact CA-OG 3.3Å; L1138-S1141 PolarHBondContact O-N 3Å; L1138-S1141 PolarHBondContact O-OG 3.45Å; L1138-N1142 PolarHBondContact O-N 3.14Å; L1138-F1165 HydrophobicContact CB-CE2 4.48Å; L1138-F1165 HydrophobicContact CD2-CD2 4.48Å; L1138-F1165 HydrophobicContact CD2-CE2 4.04Å; L1138-F1165 HydrophobicContact CG-CE2 3.87Å; L1138-F1165 HydrophobicContact CG-CZ 4.49Å; L1138-F1165 WeakPolarHBondContact O-CE2 3.39Å; L1138-V1168 HydrophobicContact CD2-CG1 4.08Å; L1138-V1168 HydrophobicContact CD2-CG2 4.43Å
1139	Q	96.8	Very high	97.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-45	175.9	-70.7	-72.2	18	0	0	112.4	A1135 L1136 N1142 L1143 F1165 V1168 M1205 I1208	A1135-Q1139 PolarHBondContact O-N 2.74Å; A1135-Q1139 VanDerWaalsContact O-N 3.12Å; L1136-Q1139 PolarHBondContact O-N 3.12Å; Q1139-N1142 PolarHBondContact O-N 2.85Å; Q1139-L1143 PolarHBondContact O-N 3Å; Q1139-F1165 PolarHBondContact NE2-O 3.11Å; Q1139-V1168 HydrophobicContact CG-CG2 4.03Å; Q1139-M1205 HydrophobicContact CB-SD 3.72Å; Q1139-M1205 HydrophobicContact CG-SD 3.67Å; Q1139-I1208 HydrophobicContact CG-CD1 3.8Å
1140	I	96.6	Very high	97.3	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-63.1	-44.8	177.9	-68.1	170.5	0	0	0	111	F88 P91 L1104 L1136 A1137 L1138 N1142 L1143 L1144 M1216	F88-I1140 HydrophobicContact CE2-CD1 4.03Å; F88-I1140 HydrophobicContact CE2-CG1 3.71Å; F88-I1140 HydrophobicContact CZ-CG1 4.11Å; P91-I1140 HydrophobicContact CG-CD1 4.33Å; L1104-I1140 HydrophobicContact CD1-CB 4.22Å; L1104-I1140 HydrophobicContact CD1-CG2 4.09Å; L1136-I1140 HydrophobicContact CD1-CD1 4.11Å; L1136-I1140 HydrophobicContact CD1-CG1 4.29Å; L1136-I1140 HydrophobicContact CG-CD1 3.87Å; L1136-I1140 HydrophobicContact CG-CG1 4.47Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.27Å; L1136-I1140 PolarHBondContact O-N 3.37Å; A1137-I1140 PolarHBondContact O-N 3.08Å; L1138-I1140 PolarHBondContact O-N 3.15Å; I1140-N1142 VanDerWaalsContact C-N 3.28Å; I1140-N1142 PolarHBondContact O-N 2.76Å; I1140-L1143 WeakPolarHBondContact O-CB 3.49Å; I1140-L1143 PolarHBondContact O-N 3.17Å; I1140-L1144 HydrophobicContact CG2-CD1 3.81Å; I1140-L1144 HydrophobicContact CG2-CG 4.25Å; I1140-L1144 WeakPolarHBondContact O-CB 3.42Å; I1140-L1144 VanDerWaalsContact O-CG 3.3Å; I1140-L1144 WeakPolarHBondContact O-CG 3.25Å; I1140-L1144 PolarHBondContact O-N 3.28Å; I1140-M1216 HydrophobicContact CD1-CG 3.9Å; I1140-M1216 HydrophobicContact CD1-SD 3.99Å
1141	S	97.2	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62	-36.4	178.7	66.7	0	0	0	0	112.3	M1097 A1137 L1138 T1145	M1097-S1141 WeakPolarHBondContact CE-OG 3.44Å; A1137-S1141 WeakPolarHBondContact O-CB 3.43Å; A1137-S1141 PolarHBondContact O-N 3.39Å; A1137-S1141 PolarHBondContact O-OG 2.95Å; L1138-S1141 WeakPolarHBondContact CA-OG 3.3Å; L1138-S1141 PolarHBondContact O-N 3Å; L1138-S1141 PolarHBondContact O-OG 3.45Å; S1141-T1145 WeakPolarHBondContact O-CB 3.37Å; S1141-T1145 PolarHBondContact O-N 3.09Å; S1141-T1145 PolarHBondContact O-OG1 3.14Å
1142	N	97.1	Very high	97.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.2	-45.1	175	-175	73.4	0	0	0	112.4	Y1093 M1097 L1138 Q1139 I1140 L1144 T1145 R1146 A1163 F1165	Y1093-N1142 PolarHBondContact OH-OD1 3.13Å; M1097-N1142 HydrophobicContact CE-CB 4.29Å; M1097-N1142 WeakPolarHBondContact SD-CA 3.15Å; M1097-N1142 HydrophobicContact SD-CB 3.96Å; M1097-N1142 PolarHBondContact SD-N 3.42Å; M1097-N1142 VanDerWaalsContact SD-N 3.38Å; L1138-N1142 PolarHBondContact O-N 3.14Å; Q1139-N1142 PolarHBondContact O-N 2.85Å; I1140-N1142 VanDerWaalsContact C-N 3.28Å; I1140-N1142 PolarHBondContact O-N 2.76Å; N1142-L1144 VanDerWaalsContact C-N 3.34Å; N1142-L1144 PolarHBondContact O-N 3.39Å; N1142-T1145 PolarHBondContact O-N 3.32Å; N1142-R1146 PolarHBondContact O-N 3.02Å; N1142-A1163 PolarHBondContact ND2-O 3.04Å; N1142-A1163 VanDerWaalsContact ND2-O 3.12Å; N1142-F1165 HydrophobicContact CB-CD2 3.96Å; N1142-F1165 HydrophobicContact CB-CE1 4.48Å; N1142-F1165 HydrophobicContact CB-CE2 3.37Å; N1142-F1165 HydrophobicContact CB-CZ 3.67Å
1143	L	97	Very high	97.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55.4	-50.6	174	172.1	63.7	0	0	0	110.9	L46 L50 F88 I90 Q1139 I1140 R1146 T1147 L1158 A1163 F1164	L46-L1143 HydrophobicContact CD2-CD2 4.37Å; L50-L1143 HydrophobicContact CD1-CD1 3.96Å; L50-L1143 HydrophobicContact CD1-CD2 4.25Å; L50-L1143 HydrophobicContact CD1-CG 4.11Å; F88-L1143 HydrophobicContact CE1-CD2 4.32Å; F88-L1143 HydrophobicContact CZ-CD2 3.83Å; I90-L1143 HydrophobicContact CG2-CD2 4.35Å; Q1139-L1143 PolarHBondContact O-N 3Å; I1140-L1143 WeakPolarHBondContact O-CB 3.49Å; I1140-L1143 PolarHBondContact O-N 3.17Å; L1143-R1146 PolarHBondContact O-N 3.2Å; L1143-T1147 VanDerWaalsContact O-CB 3.28Å; L1143-T1147 WeakPolarHBondContact O-CB 3.5Å; L1143-T1147 PolarHBondContact O-N 3.45Å; L1143-T1147 PolarHBondContact O-OG1 3.36Å; L1143-L1158 HydrophobicContact CD1-CD2 3.79Å; L1143-A1163 HydrophobicContact CD1-CB 3.97Å; L1143-F1164 HydrophobicContact CD2-CE1 4.41Å
1144	L	97.7	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.6	-42	179.3	-68.8	174.3	0	0	0	111.6	L50 L93 V98 L1100 W1103 I1140 N1142 T1147 F1148	L50-L1144 HydrophobicContact CD2-CD2 3.47Å; L50-L1144 VanDerWaalsContact CD2-CD2 3.47Å; L93-L1144 HydrophobicContact CD2-CD2 4.01Å; V98-L1144 HydrophobicContact CG2-CB 4.27Å; V98-L1144 HydrophobicContact CG2-CD2 3.99Å; V98-L1144 WeakPolarHBondContact CG2-O 3.36Å; L1100-L1144 HydrophobicContact CD1-CB 3.61Å; L1100-L1144 HydrophobicContact CD2-CB 4.32Å; L1100-L1144 HydrophobicContact CD2-CD1 3.96Å; W1103-L1144 HydrophobicContact CZ3-CD1 3.96Å; I1140-L1144 HydrophobicContact CG2-CD1 3.81Å; I1140-L1144 HydrophobicContact CG2-CG 4.25Å; I1140-L1144 WeakPolarHBondContact O-CB 3.42Å; I1140-L1144 VanDerWaalsContact O-CG 3.3Å; I1140-L1144 WeakPolarHBondContact O-CG 3.25Å; I1140-L1144 PolarHBondContact O-N 3.28Å; N1142-L1144 VanDerWaalsContact C-N 3.34Å; N1142-L1144 PolarHBondContact O-N 3.39Å; L1144-T1147 PolarHBondContact O-N 3.29Å; L1144-F1148 WeakPolarHBondContact O-CB 3.37Å; L1144-F1148 PolarHBondContact O-N 3.11Å
1145	T	97.9	Very high	96.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63	-48.5	177.8	-60.1	0	0	0	0	111.6	Y1093 C1096 M1097 L1100 S1141 N1142 T1147 F1148 F1149	Y1093-T1145 HydrophobicContact CD1-CG2 3.7Å; Y1093-T1145 HydrophobicContact CD2-CG2 3.68Å; Y1093-T1145 HydrophobicContact CE1-CG2 3.74Å; Y1093-T1145 HydrophobicContact CE2-CG2 3.73Å; Y1093-T1145 HydrophobicContact CG-CG2 3.68Å; C1096-T1145 HydrophobicContact CB-CG2 3.66Å; M1097-T1145 HydrophobicContact CG-CG2 4.27Å; M1097-T1145 PolarHBondContact N-OG1 3.23Å; L1100-T1145 WeakPolarHBondContact CD1-OG1 3.14Å; S1141-T1145 WeakPolarHBondContact O-CB 3.37Å; S1141-T1145 PolarHBondContact O-N 3.09Å; S1141-T1145 PolarHBondContact O-OG1 3.14Å; N1142-T1145 PolarHBondContact O-N 3.32Å; T1145-T1147 VanDerWaalsContact C-N 3.32Å; T1145-T1147 PolarHBondContact O-N 3.31Å; T1145-F1148 WeakPolarHBondContact O-CB 3.49Å; T1145-F1148 PolarHBondContact O-N 3.37Å; T1145-F1149 HydrophobicContact CG2-CD2 4.17Å; T1145-F1149 HydrophobicContact CG2-CE2 4.13Å; T1145-F1149 VanDerWaalsContact O-CD2 3.29Å; T1145-F1149 WeakPolarHBondContact O-CD2 3.4Å; T1145-F1149 PolarHBondContact O-N 3.04Å
1146	R	97.3	Very high	96.7	Very high	9 Å²	9	15.3 Å²	15.3	3%	0.034	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-40.9	178.6	-73.3	-175.4	170.8	-161.9	-8.7	111.6	V915 D916 W921 Y1093 N1142 L1143 F1148 F1149 V1150 L1158 V1162	V915-R1146 VanDerWaalsContact CG1-NH2 3.32Å; D916-R1146 PolarHBondContact O-NH2 2.98Å; W921-R1146 HydrophobicContact CH2-CB 3.81Å; W921-R1146 HydrophobicContact CH2-CG 3.7Å; W921-R1146 HydrophobicContact CZ2-CB 4.14Å; W921-R1146 HydrophobicContact CZ2-CG 4.14Å; W921-R1146 HydrophobicContact CZ3-CG 3.98Å; Y1093-R1146 HydrophobicContact CE2-CG 3.79Å; Y1093-R1146 WeakPolarHBondContact OH-CD 3.4Å; Y1093-R1146 WeakPolarHBondContact OH-CG 3.4Å; Y1093-R1146 PolarHBondContact OH-NE 3.45Å; N1142-R1146 PolarHBondContact O-N 3.02Å; L1143-R1146 PolarHBondContact O-N 3.2Å; R1146-F1148 VanDerWaalsContact C-N 3.35Å; R1146-F1148 PolarHBondContact O-N 3.39Å; R1146-F1149 PolarHBondContact O-N 3.16Å; R1146-V1150 VanDerWaalsContact O-CG2 3.24Å; R1146-V1150 WeakPolarHBondContact O-CG2 3.46Å; R1146-V1150 PolarHBondContact O-N 2.73Å; R1146-L1158 HydrophobicContact CB-CD1 3.98Å; R1146-L1158 HydrophobicContact CB-CD2 4.15Å; R1146-V1162 WeakPolarHBondContact CD-O 3.34Å; R1146-V1162 PolarHBondContact NE-O 2.92Å; R1146-V1162 VanDerWaalsContact NH1-C 3.29Å; R1146-V1162 PolarHBondContact NH1-O 3.38Å
1147	T	97.4	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-44.7	175.1	-56.8	0	0	0	0	111.4	L50 F51 V98 L1143 L1144 T1145 F1149 V1150 Y1151	L50-T1147 HydrophobicContact CB-CG2 3.69Å; L50-T1147 HydrophobicContact CD1-CG2 4.3Å; L50-T1147 HydrophobicContact CD2-CG2 4.32Å; L50-T1147 HydrophobicContact CG-CG2 4.33Å; F51-T1147 HydrophobicContact CD1-CG2 4.22Å; F51-T1147 HydrophobicContact CD2-CG2 4.16Å; F51-T1147 HydrophobicContact CE1-CG2 3.64Å; F51-T1147 HydrophobicContact CE2-CG2 3.58Å; F51-T1147 HydrophobicContact CG-CG2 4.46Å; F51-T1147 HydrophobicContact CZ-CG2 3.28Å; V98-T1147 HydrophobicContact CB-CG2 3.99Å; V98-T1147 HydrophobicContact CG1-CG2 3.6Å; V98-T1147 HydrophobicContact CG2-CG2 4.31Å; L1143-T1147 VanDerWaalsContact O-CB 3.28Å; L1143-T1147 WeakPolarHBondContact O-CB 3.5Å; L1143-T1147 PolarHBondContact O-N 3.45Å; L1143-T1147 PolarHBondContact O-OG1 3.36Å; L1144-T1147 PolarHBondContact O-N 3.29Å; T1145-T1147 VanDerWaalsContact C-N 3.32Å; T1145-T1147 PolarHBondContact O-N 3.31Å; T1147-F1149 PolarHBondContact O-N 3.38Å; T1147-V1150 PolarHBondContact O-N 2.96Å; T1147-Y1151 VanDerWaalsContact O-CB 3.32Å; T1147-Y1151 WeakPolarHBondContact O-CB 3.47Å; T1147-Y1151 PolarHBondContact O-N 3.34Å
1148	F	98	Very high	96.5	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-44.3	176.7	171.9	-103.2	0	0	0	112.3	V98 K99 L102 F1059 L1060 L1144 T1145 R1146 V1150 Y1151 Q1152	V98-F1148 HydrophobicContact CG1-CB 4.29Å; V98-F1148 HydrophobicContact CG2-CB 4.23Å; K99-F1148 HydrophobicContact CB-CD2 4.3Å; K99-F1148 HydrophobicContact CB-CE2 4.37Å; K99-F1148 HydrophobicContact CG-CE2 4.1Å; L102-F1148 HydrophobicContact CB-CD2 4.35Å; L102-F1148 HydrophobicContact CD2-CB 4.42Å; L102-F1148 HydrophobicContact CD2-CD1 3.64Å; L102-F1148 HydrophobicContact CD2-CD2 3.66Å; L102-F1148 HydrophobicContact CD2-CE1 3.72Å; L102-F1148 HydrophobicContact CD2-CE2 3.7Å; L102-F1148 HydrophobicContact CD2-CG 3.62Å; L102-F1148 HydrophobicContact CD2-CZ 3.75Å; F1059-F1148 HydrophobicContact CB-CE1 4.39Å; L1060-F1148 HydrophobicContact CD2-CE1 3.61Å; L1060-F1148 HydrophobicContact CD2-CZ 3.8Å; L1144-F1148 WeakPolarHBondContact O-CB 3.37Å; L1144-F1148 PolarHBondContact O-N 3.11Å; T1145-F1148 WeakPolarHBondContact O-CB 3.49Å; T1145-F1148 PolarHBondContact O-N 3.37Å; R1146-F1148 VanDerWaalsContact C-N 3.35Å; R1146-F1148 PolarHBondContact O-N 3.39Å; F1148-V1150 PolarHBondContact O-N 2.77Å; F1148-Y1151 WeakPolarHBondContact O-CB 3.29Å; F1148-Y1151 PolarHBondContact O-N 3.25Å; F1148-Q1152 HydrophobicContact CD2-CG 4.43Å; F1148-Q1152 HydrophobicContact CE1-CG 4.19Å; F1148-Q1152 HydrophobicContact CE2-CG 3.89Å; F1148-Q1152 HydrophobicContact CZ-CG 3.74Å; F1148-Q1152 PolarHBondContact O-N 3.06Å
1149	F	98.2	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-45.8	178.4	-89.8	-123.3	0	0	0	112	W921 I922 L925 F1059 S1089 D1092 Y1093 T1145 R1146 T1147 Q1152 L1153	W921-F1149 HydrophobicContact CH2-CB 3.75Å; W921-F1149 HydrophobicContact CH2-CG 4.4Å; W921-F1149 HydrophobicContact CZ3-CB 4.12Å; W921-F1149 HydrophobicContact CZ3-CD1 4.1Å; W921-F1149 HydrophobicContact CZ3-CG 4.29Å; I922-F1149 HydrophobicContact CD1-CE1 4.05Å; I922-F1149 HydrophobicContact CG1-CD1 4.27Å; I922-F1149 HydrophobicContact CG1-CE1 4.14Å; L925-F1149 HydrophobicContact CD2-CB 4.03Å; F1059-F1149 HydrophobicContact CB-CD1 4.48Å; F1059-F1149 HydrophobicContact CB-CD2 4.48Å; F1059-F1149 HydrophobicContact CB-CE1 4.13Å; F1059-F1149 HydrophobicContact CB-CE2 4.12Å; F1059-F1149 HydrophobicContact CB-CZ 3.9Å; F1059-F1149 HydrophobicContact CD1-CB 3.94Å; F1059-F1149 AromaticContact CD1-CD1 3.44Å; F1059-F1149 HydrophobicContact CD1-CD1 3.44Å; F1059-F1149 VanDerWaalsContact CD1-CD1 3.44Å; F1059-F1149 HydrophobicContact CD1-CD2 4.23Å; F1059-F1149 AromaticContact CD1-CE1 3.86Å; F1059-F1149 HydrophobicContact CD1-CE1 3.86Å; F1059-F1149 AromaticContact CD1-CG 3.62Å; F1059-F1149 HydrophobicContact CD1-CG 3.62Å; F1059-F1149 HydrophobicContact CD1-CZ 4.37Å; F1059-F1149 AromaticContact CD2-CD1 3.7Å; F1059-F1149 HydrophobicContact CD2-CD1 3.7Å; F1059-F1149 AromaticContact CD2-CE1 3.29Å; F1059-F1149 HydrophobicContact CD2-CE1 3.29Å; F1059-F1149 AromaticContact CD2-CZ 3.86Å; F1059-F1149 HydrophobicContact CD2-CZ 3.86Å; F1059-F1149 HydrophobicContact CE1-CB 3.86Å; F1059-F1149 AromaticContact CE1-CD1 3.37Å; F1059-F1149 HydrophobicContact CE1-CD1 3.37Å; F1059-F1149 HydrophobicContact CE1-CE1 4.05Å; F1059-F1149 AromaticContact CE1-CG 3.8Å; F1059-F1149 HydrophobicContact CE1-CG 3.8Å; F1059-F1149 WeakPolarHBondContact CE1-O 3.47Å; F1059-F1149 AromaticContact CE2-CD1 3.65Å; F1059-F1149 HydrophobicContact CE2-CD1 3.65Å; F1059-F1149 AromaticContact CE2-CE1 3.53Å; F1059-F1149 HydrophobicContact CE2-CE1 3.53Å; F1059-F1149 AromaticContact CG-CD1 3.59Å; F1059-F1149 HydrophobicContact CG-CD1 3.59Å; F1059-F1149 HydrophobicContact CG-CD2 4.34Å; F1059-F1149 AromaticContact CG-CE1 3.46Å; F1059-F1149 HydrophobicContact CG-CE1 3.46Å; F1059-F1149 VanDerWaalsContact CG-CE1 3.46Å; F1059-F1149 HydrophobicContact CG-CE2 4.23Å; F1059-F1149 HydrophobicContact CG-CG 4.01Å; F1059-F1149 AromaticContact CG-CZ 3.77Å; F1059-F1149 HydrophobicContact CG-CZ 3.77Å; F1059-F1149 AromaticContact CZ-CD1 3.48Å; F1059-F1149 HydrophobicContact CZ-CD1 3.48Å; F1059-F1149 VanDerWaalsContact CZ-CD1 3.48Å; F1059-F1149 AromaticContact CZ-CE1 3.89Å; F1059-F1149 HydrophobicContact CZ-CE1 3.89Å; F1059-F1149 HydrophobicContact CZ-CG 4.36Å; S1089-F1149 WeakPolarHBondContact O-CZ 3.23Å; D1092-F1149 HydrophobicContact CB-CZ 3.97Å; Y1093-F1149 VanDerWaalsContact CA-CZ 3.46Å; Y1093-F1149 HydrophobicContact CD2-CD1 4.2Å; Y1093-F1149 HydrophobicContact CD2-CD2 4.34Å; Y1093-F1149 AromaticContact CD2-CE1 3.99Å; Y1093-F1149 HydrophobicContact CD2-CE1 3.99Å; Y1093-F1149 HydrophobicContact CD2-CE2 4.15Å; Y1093-F1149 HydrophobicContact CD2-CG 4.4Å; Y1093-F1149 HydrophobicContact CD2-CZ 4Å; Y1093-F1149 HydrophobicContact CG-CE2 4.45Å; Y1093-F1149 HydrophobicContact CG-CZ 4.23Å; T1145-F1149 HydrophobicContact CG2-CD2 4.17Å; T1145-F1149 HydrophobicContact CG2-CE2 4.13Å; T1145-F1149 VanDerWaalsContact O-CD2 3.29Å; T1145-F1149 WeakPolarHBondContact O-CD2 3.4Å; T1145-F1149 PolarHBondContact O-N 3.04Å; R1146-F1149 PolarHBondContact O-N 3.16Å; T1147-F1149 PolarHBondContact O-N 3.38Å; F1149-Q1152 PolarHBondContact O-N 3.44Å; F1149-L1153 PolarHBondContact O-N 2.93Å
1150	V	97.3	Very high	96.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.9	-43.7	176	171.6	0	0	0	0	111	F51 W921 L925 R1146 T1147 F1148 Q1152 L1153 M1155 D1157 L1158	F51-V1150 HydrophobicContact CE1-CG1 4.22Å; F51-V1150 HydrophobicContact CZ-CG1 4.17Å; W921-V1150 HydrophobicContact CH2-CG2 4.42Å; W921-V1150 HydrophobicContact CZ2-CG2 3.98Å; L925-V1150 HydrophobicContact CD1-CG2 3.88Å; L925-V1150 HydrophobicContact CD2-CG2 4.17Å; R1146-V1150 VanDerWaalsContact O-CG2 3.24Å; R1146-V1150 WeakPolarHBondContact O-CG2 3.46Å; R1146-V1150 PolarHBondContact O-N 2.73Å; T1147-V1150 PolarHBondContact O-N 2.96Å; F1148-V1150 PolarHBondContact O-N 2.77Å; V1150-Q1152 VanDerWaalsContact C-N 3.32Å; V1150-Q1152 PolarHBondContact O-N 2.76Å; V1150-L1153 PolarHBondContact O-N 3.46Å; V1150-M1155 HydrophobicContact CG1-CB 3.48Å; V1150-M1155 VanDerWaalsContact CG1-CB 3.48Å; V1150-M1155 PolarHBondContact O-N 3.34Å; V1150-M1155 VanDerWaalsContact O-N 3.17Å; V1150-D1157 VanDerWaalsContact CG1-O 3.28Å; V1150-D1157 WeakPolarHBondContact CG1-O 3.18Å; V1150-L1158 HydrophobicContact CG2-CD1 3.72Å
1151	Y	96.7	Very high	95.8	Very high	40 Å²	40	19.3 Å²	19.3	16%	0.157	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-44.7	178.3	-172	-75.3	0	0	0	111.4	F51 N97 V98 K99 T1147 F1148 L1153 G1154 M1155 R1156	F51-Y1151 AromaticContact CD1-CD2 3.88Å; F51-Y1151 HydrophobicContact CD1-CD2 3.88Å; F51-Y1151 HydrophobicContact CE1-CD2 4.4Å; N97-Y1151 HydrophobicContact CB-CE2 4.09Å; V98-Y1151 HydrophobicContact CG1-CD2 4.4Å; V98-Y1151 HydrophobicContact CG1-CG 4.44Å; K99-Y1151 HydrophobicContact CB-CD1 3.84Å; K99-Y1151 HydrophobicContact CB-CE1 3.84Å; K99-Y1151 HydrophobicContact CB-CG 4.4Å; K99-Y1151 HydrophobicContact CD-CD1 4.05Å; K99-Y1151 HydrophobicContact CD-CE1 3.69Å; K99-Y1151 HydrophobicContact CG-CD1 4.48Å; K99-Y1151 HydrophobicContact CG-CE1 4.37Å; T1147-Y1151 VanDerWaalsContact O-CB 3.32Å; T1147-Y1151 WeakPolarHBondContact O-CB 3.47Å; T1147-Y1151 PolarHBondContact O-N 3.34Å; F1148-Y1151 WeakPolarHBondContact O-CB 3.29Å; F1148-Y1151 PolarHBondContact O-N 3.25Å; Y1151-L1153 PolarHBondContact O-N 3.45Å; Y1151-G1154 PolarHBondContact O-N 3.45Å; Y1151-M1155 WeakPolarHBondContact CA-O 3.36Å; Y1151-R1156 PolarHBondContact O-NH1 3.29Å
1152	Q	96.5	Very high	95.6	Very high	70 Å²	70	19.8 Å²	19.8	33%	0.327	11%	0.111	S	C	.	.	H	α-helix	trans	-65.4	-25.7	-178.6	-83	-61.4	84.2	0	0	114	F1059 F1148 F1149 V1150 G1154	F1059-Q1152 HydrophobicContact CD1-CB 4.26Å; F1059-Q1152 PolarHBondContact O-NE2 3.35Å; F1148-Q1152 HydrophobicContact CD2-CG 4.43Å; F1148-Q1152 HydrophobicContact CE1-CG 4.19Å; F1148-Q1152 HydrophobicContact CE2-CG 3.89Å; F1148-Q1152 HydrophobicContact CZ-CG 3.74Å; F1148-Q1152 PolarHBondContact O-N 3.06Å; F1149-Q1152 PolarHBondContact O-N 3.44Å; V1150-Q1152 VanDerWaalsContact C-N 3.32Å; V1150-Q1152 PolarHBondContact O-N 2.76Å; Q1152-G1154 VanDerWaalsContact C-N 3.27Å; Q1152-G1154 PolarHBondContact O-N 3.23Å
1153	L	96.1	Very high	95.5	Very high	38 Å²	38	19.8 Å²	19.8	20%	0.199	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	14.9	174.8	-67.4	173.7	0	0	0	113.2	L925 I926 A929 P1058 F1059 F1149 V1150 Y1151 M1155	L925-L1153 HydrophobicContact CB-CD1 4.35Å; L925-L1153 HydrophobicContact CD2-CD1 3.69Å; L925-L1153 HydrophobicContact CG-CD1 3.57Å; I926-L1153 HydrophobicContact CG1-CD1 4.22Å; A929-L1153 HydrophobicContact CB-CB 3.89Å; A929-L1153 HydrophobicContact CB-CD1 4.21Å; A929-L1153 HydrophobicContact CB-CD2 4.24Å; A929-L1153 HydrophobicContact CB-CG 4.34Å; P1058-L1153 HydrophobicContact CB-CD2 3.98Å; P1058-L1153 HydrophobicContact CG-CD2 4.45Å; F1059-L1153 HydrophobicContact CE1-CD1 3.57Å; F1059-L1153 HydrophobicContact CE1-CG 3.84Å; F1059-L1153 HydrophobicContact CZ-CD1 3.84Å; F1059-L1153 HydrophobicContact CZ-CG 4.46Å; F1149-L1153 PolarHBondContact O-N 2.93Å; V1150-L1153 PolarHBondContact O-N 3.46Å; Y1151-L1153 PolarHBondContact O-N 3.45Å; L1153-M1155 VanDerWaalsContact C-N 3.28Å; L1153-M1155 HydrophobicContact CB-CE 3.72Å; L1153-M1155 HydrophobicContact CD1-CE 4.41Å; L1153-M1155 PolarHBondContact O-N 3.47Å
1154	G	94	Very high	95.4	Very high	54 Å²	54	20.8 Å²	20.8	56%	0.557	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	2.1	174	0	0	0	0	0	114.9	Y1151 Q1152	Y1151-G1154 PolarHBondContact O-N 3.45Å; Q1152-G1154 VanDerWaalsContact C-N 3.27Å; Q1152-G1154 PolarHBondContact O-N 3.23Å
1155	M	93.9	Very high	95.2	Very high	11 Å²	11	21.2 Å²	21.2	5%	0.054	12%	0.117	C	C	.	.			trans	-87.6	150.7	176.5	-69.9	172.5	-78.5	0	0	110.5	L925 A929 Q934 V1150 Y1151 L1153	L925-M1155 HydrophobicContact CD1-CE 3.43Å; L925-M1155 VanDerWaalsContact CD1-CE 3.43Å; L925-M1155 HydrophobicContact CD1-SD 4.34Å; L925-M1155 HydrophobicContact CG-CE 3.98Å; A929-M1155 HydrophobicContact CB-CE 3.99Å; Q934-M1155 HydrophobicContact CB-SD 4.49Å; Q934-M1155 HydrophobicContact CG-CE 4.31Å; Q934-M1155 HydrophobicContact CG-SD 3.5Å; Q934-M1155 WeakPolarHBondContact CG-SD 3.29Å; V1150-M1155 HydrophobicContact CG1-CB 3.48Å; V1150-M1155 VanDerWaalsContact CG1-CB 3.48Å; V1150-M1155 PolarHBondContact O-N 3.34Å; V1150-M1155 VanDerWaalsContact O-N 3.17Å; Y1151-M1155 WeakPolarHBondContact CA-O 3.36Å; L1153-M1155 VanDerWaalsContact C-N 3.28Å; L1153-M1155 HydrophobicContact CB-CE 3.72Å; L1153-M1155 HydrophobicContact CD1-CE 4.41Å; L1153-M1155 PolarHBondContact O-N 3.47Å
1156	R	94.4	Very high	94.9	Very high	95 Å²	95	24.6 Å²	24.6	36%	0.358	14%	0.14	S	C	.	.			trans	-128.4	25.3	-171.5	-61.6	-67.5	177.3	-99.8	6.6	113.6	Q47 F51 Y1151	Q47-R1156 PolarHBondContact NE2-O 3.11Å; F51-R1156 HydrophobicContact CD1-CB 4.38Å; Y1151-R1156 PolarHBondContact O-NH1 3.29Å
1157	D	94.3	Very high	94.8	Very high	11 Å²	11	25.9 Å²	25.9	6%	0.059	15%	0.151	C	C	.	.			trans	-157.2	156.8	172.7	-158.9	5.3	0	0	0	111.3	M41 I42 R44 Y58 Q934 V1150	M41-D1157 WeakPolarHBondContact CB-OD2 3.38Å; M41-D1157 HydrophobicContact CE-CB 3.56Å; M41-D1157 WeakPolarHBondContact CE-OD2 3.47Å; I42-D1157 WeakPolarHBondContact CG1-OD1 3.42Å; R44-D1157 IonicContact CZ-OD1 2.79Å; R44-D1157 IonicContact CZ-OD2 2.8Å; R44-D1157 VanDerWaalsContact CZ-OD2 3.23Å; R44-D1157 IonicContact NH1-OD1 3.87Å; R44-D1157 IonicContact NH1-OD2 3.26Å; R44-D1157 PolarHBondContact NH1-OD2 2.81Å; R44-D1157 IonicContact NH2-OD1 3.25Å; R44-D1157 PolarHBondContact NH2-OD1 3.23Å; R44-D1157 IonicContact NH2-OD2 2.72Å; R44-D1157 PolarHBondContact NH2-OD2 3.09Å; Y58-D1157 WeakPolarHBondContact OH-CB 3.49Å; Y58-D1157 PolarHBondContact OH-OD2 2.77Å; Q934-D1157 PolarHBondContact NE2-O 3.13Å; V1150-D1157 VanDerWaalsContact CG1-O 3.28Å; V1150-D1157 WeakPolarHBondContact CG1-O 3.18Å
1158	L	95.5	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.			trans	-125.2	132.5	-174.2	-175.5	70.4	0	0	0	111.2	M41 I42 W921 L1143 R1146 V1150 V1162 A1163	M41-L1158 VanDerWaalsContact CE-C 3.45Å; I42-L1158 HydrophobicContact CD1-CB 4.09Å; I42-L1158 HydrophobicContact CG1-CB 4.37Å; I42-L1158 HydrophobicContact CG2-CB 4.36Å; I42-L1158 HydrophobicContact CG2-CD2 4.5Å; I42-L1158 WeakPolarHBondContact CG2-O 3.31Å; I42-L1158 PolarHBondContact N-O 3.46Å; W921-L1158 HydrophobicContact CZ2-CD1 4.46Å; L1143-L1158 HydrophobicContact CD1-CD2 3.79Å; R1146-L1158 HydrophobicContact CB-CD1 3.98Å; R1146-L1158 HydrophobicContact CB-CD2 4.15Å; V1150-L1158 HydrophobicContact CG2-CD1 3.72Å; L1158-V1162 HydrophobicContact CD1-CG2 3.76Å; L1158-V1162 HydrophobicContact CG-CG2 4.19Å; L1158-A1163 HydrophobicContact CD2-CB 4.01Å
1159	P	94.4	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-64.3	139.5	170.2	-21.3	30.8	0	0	0	112.2	I39 L40 M41 Q934 L944 S1161 V1162 A1163	I39-P1159 HydrophobicContact CG2-CB 3.73Å; I39-P1159 HydrophobicContact CG2-CG 4.16Å; L40-P1159 CarbonylContact O-C 3.52Å; L40-P1159 WeakPolarHBondContact O-CA 3.31Å; M41-P1159 HydrophobicContact CE-CG 4.32Å; M41-P1159 HydrophobicContact SD-CB 4.38Å; M41-P1159 HydrophobicContact SD-CG 4.2Å; Q934-P1159 HydrophobicContact CB-CG 4.12Å; Q934-P1159 VanDerWaalsContact OE1-CD 3.3Å; L944-P1159 HydrophobicContact CD1-CG 4.09Å; L944-P1159 HydrophobicContact CD2-CB 4.48Å; L944-P1159 HydrophobicContact CD2-CG 4.21Å; P1159-S1161 VanDerWaalsContact C-N 3.28Å; P1159-S1161 PolarHBondContact O-N 3.22Å; P1159-V1162 HydrophobicContact CB-CG2 4Å; P1159-V1162 HydrophobicContact CG-CG2 4.27Å; P1159-V1162 WeakPolarHBondContact O-CG2 3.15Å; P1159-V1162 PolarHBondContact O-N 2.86Å; P1159-A1163 PolarHBondContact O-N 3.23Å
1160	E	92.2	Very high	94.8	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-32.9	-179.2	-166.6	-170.3	137	0	0	111.8	L40 K83 V1162 A1163 F1164	L40-E1160 HydrophobicContact CD2-CB 4.38Å; L40-E1160 VanDerWaalsContact CD2-OE2 3.32Å; L40-E1160 WeakPolarHBondContact CD2-OE2 3.41Å; L40-E1160 HydrophobicContact CG-CB 4.24Å; L40-E1160 PolarHBondContact O-N 3.29Å; K83-E1160 IonicContact NZ-OE1 3.25Å; K83-E1160 PolarHBondContact NZ-OE1 3.33Å; E1160-V1162 PolarHBondContact O-N 3.09Å; E1160-A1163 PolarHBondContact O-N 3.29Å; E1160-F1164 HydrophobicContact CG-CE2 4.28Å
1161	S	89.3	Confident	94.8	Very high	65 Å²	65	27 Å²	27	46%	0.455	16%	0.156	S	C	.	.	H	α-helix	trans	-59.6	-23	179.9	62.5	0	0	0	0	113.6	L944 P1159	L944-S1161 PolarHBondContact O-OG 3.36Å; P1159-S1161 VanDerWaalsContact C-N 3.28Å; P1159-S1161 PolarHBondContact O-N 3.22Å
1162	V	93.3	Very high	94.8	Very high	11 Å²	11	27.4 Å²	27.4	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-105	-16	176.7	-66.8	0	0	0	0	112.9	L944 R1146 L1158 P1159 E1160 F1164	L944-V1162 HydrophobicContact CD2-CB 4.45Å; L944-V1162 HydrophobicContact CD2-CG1 3.41Å; L944-V1162 VanDerWaalsContact CD2-CG1 3.41Å; L944-V1162 HydrophobicContact CD2-CG2 4.2Å; R1146-V1162 WeakPolarHBondContact CD-O 3.34Å; R1146-V1162 PolarHBondContact NE-O 2.92Å; R1146-V1162 VanDerWaalsContact NH1-C 3.29Å; R1146-V1162 PolarHBondContact NH1-O 3.38Å; L1158-V1162 HydrophobicContact CD1-CG2 3.76Å; L1158-V1162 HydrophobicContact CG-CG2 4.19Å; P1159-V1162 HydrophobicContact CB-CG2 4Å; P1159-V1162 HydrophobicContact CG-CG2 4.27Å; P1159-V1162 WeakPolarHBondContact O-CG2 3.15Å; P1159-V1162 PolarHBondContact O-N 2.86Å; E1160-V1162 PolarHBondContact O-N 3.09Å; V1162-F1164 PolarHBondContact O-N 3.04Å; V1162-F1164 VanDerWaalsContact O-N 3.16Å
1163	A	94.2	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-35.6	-174.7	0	0	0	0	0	113.7	I42 N1142 L1143 L1158 P1159 E1160	I42-A1163 HydrophobicContact CG2-CB 3.78Å; N1142-A1163 PolarHBondContact ND2-O 3.04Å; N1142-A1163 VanDerWaalsContact ND2-O 3.12Å; L1143-A1163 HydrophobicContact CD1-CB 3.97Å; L1158-A1163 HydrophobicContact CD2-CB 4.01Å; P1159-A1163 PolarHBondContact O-N 3.23Å; E1160-A1163 PolarHBondContact O-N 3.29Å
1164	F	94.5	Very high	94.8	Very high	21 Å²	21	22.6 Å²	22.6	9%	0.092	14%	0.14	C	C	.	.	S	Bend	trans	-122.6	153.4	-172	-51.1	-65.1	0	0	0	111.9	L86 F88 L1143 E1160 V1162 M1205	L86-F1164 HydrophobicContact CB-CE2 4.18Å; L86-F1164 HydrophobicContact CD1-CD2 4.13Å; L86-F1164 HydrophobicContact CD1-CE2 3.94Å; F88-F1164 AromaticContact CE1-CE1 3.77Å; F88-F1164 HydrophobicContact CE1-CE1 3.77Å; F88-F1164 AromaticContact CE1-CZ 3.97Å; F88-F1164 HydrophobicContact CE1-CZ 3.97Å; F88-F1164 HydrophobicContact CZ-CE1 4.31Å; L1143-F1164 HydrophobicContact CD2-CE1 4.41Å; E1160-F1164 HydrophobicContact CG-CE2 4.28Å; V1162-F1164 PolarHBondContact O-N 3.04Å; V1162-F1164 VanDerWaalsContact O-N 3.16Å; F1164-M1205 HydrophobicContact CB-CB 4.24Å; F1164-M1205 HydrophobicContact CD1-CB 4.49Å; F1164-M1205 HydrophobicContact CD1-CE 4.23Å; F1164-M1205 HydrophobicContact CD1-CG 3.89Å; F1164-M1205 HydrophobicContact CD1-SD 4.03Å; F1164-M1205 HydrophobicContact CD2-CG 4.35Å; F1164-M1205 HydrophobicContact CE1-CE 3.89Å; F1164-M1205 HydrophobicContact CE1-CG 4.18Å; F1164-M1205 HydrophobicContact CE1-SD 4.3Å; F1164-M1205 HydrophobicContact CG-CB 4.18Å; F1164-M1205 HydrophobicContact CG-CG 3.98Å
1165	F	94.1	Very high	94.7	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.039	12%	0.115	C	C	.	.			trans	-62.4	144	166.1	-66.7	-72.9	0	0	0	110.2	A913 D914 V915 M1097 L1138 Q1139 N1142 S1167 V1168	A913-F1165 HydrophobicContact CB-CB 4.19Å; A913-F1165 HydrophobicContact CB-CD1 3.59Å; A913-F1165 HydrophobicContact CB-CD2 3.88Å; A913-F1165 HydrophobicContact CB-CE1 3.78Å; A913-F1165 HydrophobicContact CB-CE2 4.06Å; A913-F1165 HydrophobicContact CB-CG 3.63Å; A913-F1165 HydrophobicContact CB-CZ 4.03Å; D914-F1165 WeakPolarHBondContact O-CD1 3.41Å; V915-F1165 HydrophobicContact CB-CE1 4.25Å; V915-F1165 HydrophobicContact CG2-CE1 3.61Å; V915-F1165 HydrophobicContact CG2-CZ 4.18Å; M1097-F1165 HydrophobicContact CE-CE2 4.13Å; M1097-F1165 HydrophobicContact CE-CZ 3.76Å; L1138-F1165 HydrophobicContact CB-CE2 4.48Å; L1138-F1165 HydrophobicContact CD2-CD2 4.48Å; L1138-F1165 HydrophobicContact CD2-CE2 4.04Å; L1138-F1165 HydrophobicContact CG-CE2 3.87Å; L1138-F1165 HydrophobicContact CG-CZ 4.49Å; L1138-F1165 WeakPolarHBondContact O-CE2 3.39Å; Q1139-F1165 PolarHBondContact NE2-O 3.11Å; N1142-F1165 HydrophobicContact CB-CD2 3.96Å; N1142-F1165 HydrophobicContact CB-CE1 4.48Å; N1142-F1165 HydrophobicContact CB-CE2 3.37Å; N1142-F1165 HydrophobicContact CB-CZ 3.67Å; F1165-S1167 VanDerWaalsContact C-N 3.29Å; F1165-S1167 PolarHBondContact O-N 2.95Å; F1165-V1168 HydrophobicContact CB-CG2 4.4Å; F1165-V1168 HydrophobicContact CD2-CG2 4.36Å
1166	S	92	Very high	94.4	Very high	71 Å²	71	24.2 Å²	24.2	50%	0.497	13%	0.131	S	C	.	.	S	Bend	trans	-56.9	-44.7	171.6	51.3	0	0	0	0	111.8	D916	D916-S1166 WeakPolarHBondContact OD2-CB 3.05Å; D916-S1166 PolarHBondContact OD2-N 3.22Å; D916-S1166 PolarHBondContact OD2-OG 3.41Å
1167	S	94.7	Very high	94.3	Very high	35 Å²	35	25.3 Å²	25.3	25%	0.245	14%	0.14	C	C	.	.			trans	-147.8	152.2	170.5	62.7	0	0	0	0	112	F1165 E1169 L1203	F1165-S1167 VanDerWaalsContact C-N 3.29Å; F1165-S1167 PolarHBondContact O-N 2.95Å; S1167-E1169 VanDerWaalsContact CB-OE1 3.3Å; S1167-E1169 WeakPolarHBondContact CB-OE1 3.3Å; S1167-E1169 PolarHBondContact OG-OE1 3.3Å; S1167-L1203 CarbonylContact C-O 3.59Å; S1167-L1203 WeakPolarHBondContact CA-O 3.27Å
1168	V	97.3	Very high	94.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122	164.8	-177.2	0	0	0	0	107.5	V911 A913 A1135 L1138 Q1139 F1165 L1203 I1208	V911-V1168 HydrophobicContact CG1-CG1 3.69Å; A913-V1168 HydrophobicContact CB-CG2 4.36Å; A1135-V1168 HydrophobicContact CB-CB 4.4Å; A1135-V1168 HydrophobicContact CB-CG1 3.86Å; L1138-V1168 HydrophobicContact CD2-CG1 4.08Å; L1138-V1168 HydrophobicContact CD2-CG2 4.43Å; Q1139-V1168 HydrophobicContact CG-CG2 4.03Å; F1165-V1168 HydrophobicContact CB-CG2 4.4Å; F1165-V1168 HydrophobicContact CD2-CG2 4.36Å; V1168-L1203 PolarHBondContact N-O 3.26Å; V1168-L1203 PolarHBondContact O-N 2.92Å; V1168-I1208 HydrophobicContact CB-CD1 4.15Å; V1168-I1208 HydrophobicContact CG2-CD1 3.9Å
1169	E	97.3	Very high	94.1	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.056	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.5	-179.1	-47.7	-62.8	124.3	0	0	110.3	V911 G912 S1167 A1178 Q1201 S1202	V911-E1169 WeakPolarHBondContact CA-O 3.08Å; G912-E1169 PolarHBondContact N-O 3.01Å; G912-E1169 PolarHBondContact O-N 2.94Å; S1167-E1169 VanDerWaalsContact CB-OE1 3.3Å; S1167-E1169 WeakPolarHBondContact CB-OE1 3.3Å; S1167-E1169 PolarHBondContact OG-OE1 3.3Å; E1169-A1178 HydrophobicContact CB-CB 4.34Å; E1169-A1178 WeakPolarHBondContact OE2-CB 3.4Å; E1169-A1178 PolarHBondContact OE2-N 3.25Å; E1169-Q1201 CarbonylContact C-O 3.54Å; E1169-Q1201 WeakPolarHBondContact CA-O 3.49Å; E1169-S1202 VanDerWaalsContact CD-OG 3.31Å; E1169-S1202 WeakPolarHBondContact OE1-CB 3.49Å; E1169-S1202 PolarHBondContact OE1-OG 3.1Å; E1169-S1202 WeakPolarHBondContact OE2-CB 3.32Å; E1169-S1202 PolarHBondContact OE2-OG 2.64Å
1170	V	98	Very high	94	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119	174.6	-177.3	0	0	0	0	108.9	V909 F910 V911 M1131 G1200 Q1201 L1203	V909-V1170 HydrophobicContact CB-CG1 4.26Å; V909-V1170 HydrophobicContact CG2-CG1 4.1Å; F910-V1170 VanDerWaalsContact O-CA 3.3Å; F910-V1170 WeakPolarHBondContact O-CA 3.34Å; V911-V1170 HydrophobicContact CG1-CG2 4.35Å; V911-V1170 HydrophobicContact CG2-CG1 4.41Å; V911-V1170 HydrophobicContact CG2-CG2 4.23Å; M1131-V1170 HydrophobicContact CB-CG1 4.02Å; M1131-V1170 HydrophobicContact CG-CG1 4.23Å; M1131-V1170 HydrophobicContact SD-CG1 3.81Å; V1170-G1200 CarbonylContact O-C 3.57Å; V1170-G1200 WeakPolarHBondContact O-CA 3.2Å; V1170-Q1201 HydrophobicContact CB-CB 4.45Å; V1170-Q1201 PolarHBondContact N-O 2.65Å; V1170-Q1201 PolarHBondContact O-N 3.03Å; V1170-L1203 HydrophobicContact CG2-CD1 3.73Å; V1170-L1203 HydrophobicContact CG2-CG 4.48Å
1171	D	97.6	Very high	94.2	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.6	-170.7	-153.5	-45.5	0	0	0	112.1	V909 F910 C1173 R1175 A1178	V909-D1171 CarbonylContact C-O 3.46Å; V909-D1171 WeakPolarHBondContact CA-O 3.41Å; V909-D1171 WeakPolarHBondContact CB-O 3.4Å; F910-D1171 PolarHBondContact N-O 3.33Å; F910-D1171 PolarHBondContact O-N 2.97Å; D1171-C1173 WeakPolarHBondContact CB-O 3.27Å; D1171-C1173 PolarHBondContact OD1-N 3.21Å; D1171-C1173 VanDerWaalsContact OD1-N 3.09Å; D1171-C1173 PolarHBondContact OD1-SG 3.3Å; D1171-R1175 IonicContact OD1-NH2 3Å; D1171-R1175 PolarHBondContact OD1-NH2 2.82Å; D1171-R1175 IonicContact OD2-CZ 3.76Å; D1171-R1175 IonicContact OD2-NE 2.92Å; D1171-R1175 PolarHBondContact OD2-NE 2.82Å; D1171-R1175 IonicContact OD2-NH2 3.53Å; D1171-R1175 PolarHBondContact OD2-NH2 3Å; D1171-A1178 WeakPolarHBondContact OD2-CA 3.43Å
1172	T	97.1	Very high	94.4	Very high	48 Å²	48	34 Å²	34	29%	0.294	18%	0.175	S	C	.	.	S	Bend	trans	-88.8	-7.4	170.6	52.9	0	0	0	0	113	Q903 S904 V909 F910	Q903-T1172 CarbonylContact C-O 3.59Å; Q903-T1172 VanDerWaalsContact CA-O 3.31Å; Q903-T1172 WeakPolarHBondContact CA-O 3.37Å; S904-T1172 PolarHBondContact N-O 2.86Å; S904-T1172 WeakPolarHBondContact OG-CA 3.45Å; S904-T1172 PolarHBondContact OG-O 3.33Å; V909-T1172 HydrophobicContact CG1-CG2 4.15Å; F910-T1172 WeakPolarHBondContact CE2-O 3.35Å
1173	C	96.7	Very high	94.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-132.1	161	174.9	71.4	0	0	0	0	111.9	A900 V902 Q903 D1171 R1175 V1197	A900-C1173 HydrophobicContact CB-CB 4.44Å; A900-C1173 WeakPolarHBondContact O-CB 3.31Å; V902-C1173 WeakPolarHBondContact O-CA 3.47Å; Q903-C1173 HydrophobicContact CG-CB 4.09Å; D1171-C1173 WeakPolarHBondContact CB-O 3.27Å; D1171-C1173 PolarHBondContact OD1-N 3.21Å; D1171-C1173 VanDerWaalsContact OD1-N 3.09Å; D1171-C1173 PolarHBondContact OD1-SG 3.3Å; C1173-R1175 PolarHBondContact O-N 3.4Å; C1173-V1197 HydrophobicContact CB-CG1 4.05Å
1174	I	95.5	Very high	94.4	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	19%	0.19	C	C	.	.			trans	-86.2	110.6	173.1	-58.2	-175.4	0	0	0	109.9	L396 K899 A900 V902 F910 I1116 R1123	L396-I1174 HydrophobicContact CD2-CD1 4.37Å; K899-I1174 CarbonylContact C-O 3.56Å; K899-I1174 HydrophobicContact CB-CG2 4.42Å; K899-I1174 VanDerWaalsContact CB-O 3.31Å; K899-I1174 WeakPolarHBondContact CB-O 3.3Å; K899-I1174 VanDerWaalsContact O-O 3.13Å; A900-I1174 VanDerWaalsContact CA-O 3.28Å; A900-I1174 WeakPolarHBondContact CA-O 3.46Å; A900-I1174 PolarHBondContact N-O 2.86Å; A900-I1174 VanDerWaalsContact N-O 3.07Å; V902-I1174 HydrophobicContact CB-CB 4.4Å; V902-I1174 HydrophobicContact CB-CD1 3.94Å; V902-I1174 HydrophobicContact CB-CG1 4.09Å; V902-I1174 HydrophobicContact CG1-CD1 3.54Å; V902-I1174 HydrophobicContact CG1-CG1 3.96Å; V902-I1174 PolarHBondContact O-N 3.35Å; V902-I1174 VanDerWaalsContact O-N 3.11Å; F910-I1174 HydrophobicContact CD1-CG1 4.38Å; F910-I1174 HydrophobicContact CD2-CG1 3.94Å; F910-I1174 HydrophobicContact CE1-CD1 4.48Å; F910-I1174 HydrophobicContact CE1-CG1 4.38Å; F910-I1174 HydrophobicContact CE2-CG1 3.9Å; F910-I1174 HydrophobicContact CG-CG1 4.15Å; F910-I1174 HydrophobicContact CZ-CD1 4.49Å; F910-I1174 HydrophobicContact CZ-CG1 4.11Å; I1116-I1174 HydrophobicContact CG2-CD1 4.02Å; R1123-I1174 HydrophobicContact CG-CG2 4.49Å
1175	R	93.2	Very high	94.1	Very high	8 Å²	8	37.1 Å²	37.1	3%	0.03	20%	0.196	C	C	.	.			trans	-143.9	160.2	168.3	56.8	178.8	166.4	-155	-18	109.9	R1123 D1171 C1173 E1177 A1178 D1180 S1198 P1199	R1123-R1175 PolarHBondContact NH2-O 2.99Å; D1171-R1175 IonicContact OD1-NH2 3Å; D1171-R1175 PolarHBondContact OD1-NH2 2.82Å; D1171-R1175 IonicContact OD2-CZ 3.76Å; D1171-R1175 IonicContact OD2-NE 2.92Å; D1171-R1175 PolarHBondContact OD2-NE 2.82Å; D1171-R1175 IonicContact OD2-NH2 3.53Å; D1171-R1175 PolarHBondContact OD2-NH2 3Å; C1173-R1175 PolarHBondContact O-N 3.4Å; R1175-E1177 VanDerWaalsContact CD-O 3.28Å; R1175-E1177 WeakPolarHBondContact CD-O 3.29Å; R1175-E1177 WeakPolarHBondContact CG-O 3.44Å; R1175-A1178 PolarHBondContact NE-O 3.17Å; R1175-A1178 VanDerWaalsContact NE-O 3.12Å; R1175-A1178 PolarHBondContact NH2-O 3.3Å; R1175-D1180 WeakPolarHBondContact CD-O 3.2Å; R1175-D1180 PolarHBondContact NH1-O 3.37Å; R1175-S1198 PolarHBondContact NH2-O 3.06Å; R1175-P1199 VanDerWaalsContact NH2-CA 3.33Å
1176	K	86.8	Confident	94	Very high	90 Å²	90	36.8 Å²	36.8	39%	0.391	20%	0.195	S	C	.	.	S	Bend	trans	-64.5	-49.8	-175.1	-176.5	177.2	176.6	-176.7	0	111.7	N888	N888-K1176 WeakPolarHBondContact ND2-CD 3.38Å
1177	E	91.1	Very high	94.1	Very high	119 Å²	119	33.4 Å²	33.4	56%	0.556	17%	0.171	S	C	*	.	S	Bend	trans	-116.4	124.5	179.5	-65.4	176.9	-159.1	0	0	108.1	R1175 K1179 D1180	R1175-E1177 VanDerWaalsContact CD-O 3.28Å; R1175-E1177 WeakPolarHBondContact CD-O 3.29Å; R1175-E1177 WeakPolarHBondContact CG-O 3.44Å; E1177-K1179 PolarHBondContact O-N 3.33Å; E1177-D1180 HydrophobicContact CB-CB 4.27Å; E1177-D1180 PolarHBondContact O-N 2.8Å
1178	A	92.9	Very high	93.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.9	-173.1	0	0	0	0	0	114.1	E1169 D1171 R1175 G1200	E1169-A1178 HydrophobicContact CB-CB 4.34Å; E1169-A1178 WeakPolarHBondContact OE2-CB 3.4Å; E1169-A1178 PolarHBondContact OE2-N 3.25Å; D1171-A1178 WeakPolarHBondContact OD2-CA 3.43Å; R1175-A1178 PolarHBondContact NE-O 3.17Å; R1175-A1178 VanDerWaalsContact NE-O 3.12Å; R1175-A1178 PolarHBondContact NH2-O 3.3Å; A1178-G1200 PolarHBondContact O-N 3.19Å
1179	K	93.9	Very high	93.7	Very high	156 Å²	156	38.7 Å²	38.7	68%	0.678	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-7.3	179	-62.4	-178.2	-176.2	174.3	0	113.9	E1177 D1181	E1177-K1179 PolarHBondContact O-N 3.33Å; K1179-D1181 PolarHBondContact O-N 3.48Å
1180	D	93.2	Very high	93.5	Very high	64 Å²	64	38.1 Å²	38.1	34%	0.342	21%	0.206	S	C	.	.			trans	-74	118.8	178.4	178.7	12.2	0	0	0	110.3	R1175 E1177 C1182	R1175-D1180 WeakPolarHBondContact CD-O 3.2Å; R1175-D1180 PolarHBondContact NH1-O 3.37Å; E1177-D1180 HydrophobicContact CB-CB 4.27Å; E1177-D1180 PolarHBondContact O-N 2.8Å; D1180-C1182 PolarHBondContact O-N 3.18Å; D1180-C1182 PolarHBondContact OD1-N 2.89Å
1181	D	94.5	Very high	93.4	Very high	43 Å²	43	37.9 Å²	37.9	23%	0.23	20%	0.204	C	C	.	.			trans	-76.9	3.1	179.4	-159	27.3	0	0	0	112.9	K1179 V1183 G1190 L1191 Q1192	K1179-D1181 PolarHBondContact O-N 3.48Å; D1181-V1183 PolarHBondContact O-N 3.48Å; D1181-G1190 CarbonylContact O-C 3.54Å; D1181-G1190 WeakPolarHBondContact O-CA 3.36Å; D1181-G1190 WeakPolarHBondContact OD2-CA 3.21Å; D1181-L1191 WeakPolarHBondContact O-CG 3.41Å; D1181-L1191 PolarHBondContact O-N 2.95Å; D1181-L1191 PolarHBondContact OD1-N 2.92Å; D1181-Q1192 PolarHBondContact OD1-N 3.26Å
1182	C	94.3	Very high	93.2	Very high	5 Å²	5	42 Å²	42	3%	0.034	22%	0.224	C	C	.	.			trans	47.6	55.1	174.6	-60.7	0	0	0	0	112.8	A889 E897 D1180 T1184 L1191	A889-C1182 HydrophobicContact CB-CB 3.53Å; E897-C1182 HydrophobicContact CB-CB 4.35Å; D1180-C1182 PolarHBondContact O-N 3.18Å; D1180-C1182 PolarHBondContact OD1-N 2.89Å; C1182-T1184 PolarHBondContact O-N 3.33Å; C1182-L1191 HydrophobicContact CB-CD1 3.7Å; C1182-L1191 HydrophobicContact CB-CD2 4.5Å; C1182-L1191 HydrophobicContact CB-CG 3.86Å
1183	V	94	Very high	93	Very high	56 Å²	56	45.8 Å²	45.8	34%	0.339	24%	0.242	S	C	.	.			trans	-71.3	123.2	176.4	180	0	0	0	0	109.5	D1181	D1181-V1183 PolarHBondContact O-N 3.48Å
1184	T	92.6	Very high	92.7	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.025	25%	0.254	C	S	.	.			trans	-137.5	169.9	180	70.7	0	0	0	0	110.7	A889 S896 E897 C1182 S1186 N1187 S1188	A889-T1184 HydrophobicContact CB-CG2 4Å; S896-T1184 WeakPolarHBondContact OG-CG2 3.31Å; E897-T1184 HydrophobicContact CB-CG2 3.91Å; E897-T1184 PolarHBondContact OE1-OG1 3.22Å; E897-T1184 WeakPolarHBondContact OE2-CB 3.32Å; E897-T1184 WeakPolarHBondContact OE2-CG2 3.23Å; E897-T1184 PolarHBondContact OE2-OG1 3.02Å; C1182-T1184 PolarHBondContact O-N 3.33Å; T1184-S1186 VanDerWaalsContact C-N 3.27Å; T1184-S1186 PolarHBondContact O-N 3.44Å; T1184-S1186 PolarHBondContact OG1-OG 3.19Å; T1184-N1187 PolarHBondContact N-O 3.06Å; T1184-N1187 CarbonylContact O-C 3.18Å; T1184-N1187 PolarHBondContact O-N 3.35Å; T1184-N1187 PolarHBondContact OG1-N 3.27Å; T1184-N1187 VanDerWaalsContact OG1-N 3.17Å; T1184-S1188 WeakPolarHBondContact O-CA 3.29Å; T1184-S1188 PolarHBondContact O-N 2.93Å
1185	P	90	Very high	92.6	Very high	36 Å²	36	47.6 Å²	47.6	23%	0.234	26%	0.256	C	S	.	.	S	Bend	trans	-59.5	-33.2	176.8	-27.1	37	0	0	0	114.4	H821 E891 R893 L894	H821-P1185 HydrophobicContact CB-CG 4.28Å; H821-P1185 VanDerWaalsContact ND1-CG 3.32Å; H821-P1185 WeakPolarHBondContact ND1-CG 3.38Å; E891-P1185 WeakPolarHBondContact O-CD 3.15Å; E891-P1185 WeakPolarHBondContact O-CG 3.16Å; R893-P1185 WeakPolarHBondContact O-CD 3.4Å; L894-P1185 HydrophobicContact CB-CB 4.21Å
1186	S	91.9	Very high	92.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	29%	0.285	C	S	.	.	S	Bend	trans	-80.7	-20.5	174.1	37.7	0	0	0	0	112.6	K408 G895 E897 T1184	K408-S1186 WeakPolarHBondContact CD-O 3.48Å; K408-S1186 WeakPolarHBondContact CE-O 3.34Å; K408-S1186 WeakPolarHBondContact CG-O 3.3Å; G895-S1186 PolarHBondContact N-OG 3.4Å; E897-S1186 VanDerWaalsContact CD-OG 3.23Å; E897-S1186 WeakPolarHBondContact OE1-CB 3.34Å; E897-S1186 PolarHBondContact OE1-OG 3.39Å; E897-S1186 PolarHBondContact OE2-OG 3.31Å; E897-S1186 VanDerWaalsContact OE2-OG 3.07Å; T1184-S1186 VanDerWaalsContact C-N 3.27Å; T1184-S1186 PolarHBondContact O-N 3.44Å; T1184-S1186 PolarHBondContact OG1-OG 3.19Å
1187	N	92.8	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.			trans	-132.3	66.3	177.8	-168	38.8	0	0	0	112.8	K408 E897 T1184 S1189 G1190 L1191 Y1195	K408-N1187 PolarHBondContact NZ-OD1 2.79Å; E897-N1187 HydrophobicContact CG-CB 4.46Å; T1184-N1187 PolarHBondContact N-O 3.06Å; T1184-N1187 CarbonylContact O-C 3.18Å; T1184-N1187 PolarHBondContact O-N 3.35Å; T1184-N1187 PolarHBondContact OG1-N 3.27Å; T1184-N1187 VanDerWaalsContact OG1-N 3.17Å; N1187-S1189 PolarHBondContact O-N 3.46Å; N1187-S1189 VanDerWaalsContact O-N 3.17Å; N1187-G1190 PolarHBondContact ND2-O 2.71Å; N1187-G1190 PolarHBondContact O-N 3.27Å; N1187-G1190 VanDerWaalsContact O-N 3.13Å; N1187-G1190 PolarHBondContact OD1-O 3.45Å; N1187-L1191 PolarHBondContact ND2-N 2.89Å; N1187-Y1195 HydrophobicContact CB-CE2 4.04Å; N1187-Y1195 VanDerWaalsContact CG-CE2 3.46Å; N1187-Y1195 WeakPolarHBondContact ND2-CE2 3.37Å
1188	S	91.1	Very high	93.1	Very high	98 Å²	98	43.8 Å²	43.8	69%	0.685	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.4	-174.4	57.1	0	0	0	0	114.7	T1184	T1184-S1188 WeakPolarHBondContact O-CA 3.29Å; T1184-S1188 PolarHBondContact O-N 2.93Å
1189	S	92.6	Very high	93.2	Very high	48 Å²	48	47 Å²	47	34%	0.336	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.1	178.5	59	0	0	0	0	114.2	N1187 N1193	N1187-S1189 PolarHBondContact O-N 3.46Å; N1187-S1189 VanDerWaalsContact O-N 3.17Å; S1189-N1193 WeakPolarHBondContact O-CB 3.36Å; S1189-N1193 PolarHBondContact O-ND2 2.88Å; S1189-N1193 VanDerWaalsContact O-ND2 3.16Å
1190	G	93.8	Very high	93.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	76.7	171.3	-174.5	0	0	0	0	0	114	D1181 N1187 G1194	D1181-G1190 CarbonylContact O-C 3.54Å; D1181-G1190 WeakPolarHBondContact O-CA 3.36Å; D1181-G1190 WeakPolarHBondContact OD2-CA 3.21Å; N1187-G1190 PolarHBondContact ND2-O 2.71Å; N1187-G1190 PolarHBondContact O-N 3.27Å; N1187-G1190 VanDerWaalsContact O-N 3.13Å; N1187-G1190 PolarHBondContact OD1-O 3.45Å; G1190-G1194 WeakPolarHBondContact O-CA 3.3Å; G1190-G1194 PolarHBondContact O-N 3.04Å
1191	L	94.9	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-39.2	-174.7	-73.9	175.1	0	0	0	112.4	A900 M901 D1181 C1182 N1187 Y1195 G1196 V1197	A900-L1191 HydrophobicContact CB-CD1 3.68Å; A900-L1191 HydrophobicContact CB-CD2 3.78Å; A900-L1191 HydrophobicContact CB-CG 4.38Å; M901-L1191 HydrophobicContact CE-CD2 3.69Å; D1181-L1191 WeakPolarHBondContact O-CG 3.41Å; D1181-L1191 PolarHBondContact O-N 2.95Å; D1181-L1191 PolarHBondContact OD1-N 2.92Å; C1182-L1191 HydrophobicContact CB-CD1 3.7Å; C1182-L1191 HydrophobicContact CB-CD2 4.5Å; C1182-L1191 HydrophobicContact CB-CG 3.86Å; N1187-L1191 PolarHBondContact ND2-N 2.89Å; L1191-Y1195 HydrophobicContact CD2-CD2 3.77Å; L1191-Y1195 HydrophobicContact CD2-CE2 4.33Å; L1191-Y1195 CarbonylContact O-C 3.52Å; L1191-Y1195 WeakPolarHBondContact O-CA 3.34Å; L1191-Y1195 PolarHBondContact O-N 3.48Å; L1191-G1196 PolarHBondContact O-N 3.31Å; L1191-G1196 VanDerWaalsContact O-N 3.16Å; L1191-V1197 HydrophobicContact CB-CB 4.22Å; L1191-V1197 PolarHBondContact O-N 3.49Å
1192	Q	93.7	Very high	93.6	Very high	97 Å²	97	41.5 Å²	41.5	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-51.1	-178.3	-172.9	175.7	9.6	0	0	111.8	D1181 G1196 V1197	D1181-Q1192 PolarHBondContact OD1-N 3.26Å; Q1192-G1196 VanDerWaalsContact O-CA 3.23Å; Q1192-G1196 WeakPolarHBondContact O-CA 3.41Å; Q1192-G1196 PolarHBondContact O-N 3.42Å; Q1192-G1196 VanDerWaalsContact O-N 3.15Å; Q1192-V1197 WeakPolarHBondContact CA-O 3.34Å; Q1192-V1197 PolarHBondContact N-O 3.5Å
1193	N	93.6	Very high	93.7	Very high	126 Å²	126	41.7 Å²	41.7	67%	0.674	27%	0.269	S	S	*	.	H	α-helix	trans	-82.5	-33.2	-179.1	-60.6	-48.7	0	0	0	112.4	S1189	S1189-N1193 WeakPolarHBondContact O-CB 3.36Å; S1189-N1193 PolarHBondContact O-ND2 2.88Å; S1189-N1193 VanDerWaalsContact O-ND2 3.16Å
1194	G	90.7	Very high	93.8	Very high	26 Å²	26	42 Å²	42	27%	0.268	27%	0.271	S	S	.	.	H	α-helix	trans	-79.9	-33.5	-173.8	0	0	0	0	0	114.2	G1190	G1190-G1194 WeakPolarHBondContact O-CA 3.3Å; G1190-G1194 PolarHBondContact O-N 3.04Å
1195	Y	93.6	Very high	93.9	Very high	20 Å²	20	42.2 Å²	42.2	8%	0.078	27%	0.272	C	S	.	.	H	α-helix	trans	-133.6	-1.1	-173.7	-62	-76.3	0	0	0	113.9	N401 F405 M901 N1187 L1191 V1197	N401-Y1195 HydrophobicContact CB-CD1 3.96Å; N401-Y1195 PolarHBondContact ND2-O 2.9Å; F405-Y1195 HydrophobicContact CB-CE1 4.27Å; M901-Y1195 HydrophobicContact CE-CD1 4.34Å; M901-Y1195 HydrophobicContact CE-CD2 3.73Å; M901-Y1195 HydrophobicContact CE-CE1 4.29Å; M901-Y1195 HydrophobicContact CE-CE2 3.64Å; M901-Y1195 HydrophobicContact CE-CG 4.08Å; M901-Y1195 HydrophobicContact SD-CD1 4.17Å; M901-Y1195 HydrophobicContact SD-CE1 3.92Å; M901-Y1195 HydrophobicContact SD-CE2 4.31Å; M901-Y1195 HydrophobicContact SD-CG 4.48Å; N1187-Y1195 HydrophobicContact CB-CE2 4.04Å; N1187-Y1195 VanDerWaalsContact CG-CE2 3.46Å; N1187-Y1195 WeakPolarHBondContact ND2-CE2 3.37Å; L1191-Y1195 HydrophobicContact CD2-CD2 3.77Å; L1191-Y1195 HydrophobicContact CD2-CE2 4.33Å; L1191-Y1195 CarbonylContact O-C 3.52Å; L1191-Y1195 WeakPolarHBondContact O-CA 3.34Å; L1191-Y1195 PolarHBondContact O-N 3.48Å; Y1195-V1197 VanDerWaalsContact C-N 3.32Å
1196	G	92.7	Very high	94	Very high	62 Å²	62	44.6 Å²	44.6	64%	0.639	28%	0.28	S	S	*	.			trans	74.6	19.5	-178.4	0	0	0	0	0	114.1	L1191 Q1192	L1191-G1196 PolarHBondContact O-N 3.31Å; L1191-G1196 VanDerWaalsContact O-N 3.16Å; Q1192-G1196 VanDerWaalsContact O-CA 3.23Å; Q1192-G1196 WeakPolarHBondContact O-CA 3.41Å; Q1192-G1196 PolarHBondContact O-N 3.42Å; Q1192-G1196 VanDerWaalsContact O-N 3.15Å
1197	V	94	Very high	94.2	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	30%	0.296	C	S	.	.			trans	-96.7	115.6	-176.5	-180	0	0	0	0	110	C1173 L1191 Q1192 Y1195	C1173-V1197 HydrophobicContact CB-CG1 4.05Å; L1191-V1197 HydrophobicContact CB-CB 4.22Å; L1191-V1197 PolarHBondContact O-N 3.49Å; Q1192-V1197 WeakPolarHBondContact CA-O 3.34Å; Q1192-V1197 PolarHBondContact N-O 3.5Å; Y1195-V1197 VanDerWaalsContact C-N 3.32Å
1198	S	94.2	Very high	94.4	Very high	70 Å²	70	47.5 Å²	47.5	49%	0.49	30%	0.296	S	S	.	.			trans	-77.5	159.1	-179.6	-63.2	0	0	0	0	112.4	R1175	R1175-S1198 PolarHBondContact NH2-O 3.06Å
1199	P	95.7	Very high	94.5	Very high	67 Å²	67	43.2 Å²	43.2	44%	0.435	27%	0.265	S	S	.	.			trans	-56.2	139.4	168.3	-25.8	35.8	0	0	0	112.4	R1175	R1175-P1199 VanDerWaalsContact NH2-CA 3.33Å
1200	G	96.1	Very high	94.6	Very high	18 Å²	18	45.8 Å²	45.8	19%	0.186	28%	0.275	C	S	.	.			trans	-87.9	-160.2	173.5	0	0	0	0	0	113	V1170 A1178	V1170-G1200 CarbonylContact O-C 3.57Å; V1170-G1200 WeakPolarHBondContact O-CA 3.2Å; A1178-G1200 PolarHBondContact O-N 3.19Å
1201	Q	96.5	Very high	94.6	Very high	84 Å²	84	52 Å²	52	39%	0.393	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.9	-178.5	-57.6	178.8	8.6	0	0	110.3	E1169 V1170 L1203	E1169-Q1201 CarbonylContact C-O 3.54Å; E1169-Q1201 WeakPolarHBondContact CA-O 3.49Å; V1170-Q1201 HydrophobicContact CB-CB 4.45Å; V1170-Q1201 PolarHBondContact N-O 2.65Å; V1170-Q1201 PolarHBondContact O-N 3.03Å; Q1201-L1203 HydrophobicContact CB-CD2 4.29Å; Q1201-L1203 HydrophobicContact CB-CG 4.46Å
1202	S	97.1	Very high	94.6	Very high	46 Å²	46	53.2 Å²	53.2	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.2	167.5	-47.3	0	0	0	0	107.3	E1169	E1169-S1202 VanDerWaalsContact CD-OG 3.31Å; E1169-S1202 WeakPolarHBondContact OE1-CB 3.49Å; E1169-S1202 PolarHBondContact OE1-OG 3.1Å; E1169-S1202 WeakPolarHBondContact OE2-CB 3.32Å; E1169-S1202 PolarHBondContact OE2-OG 2.64Å
1203	L	97	Very high	94.4	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.4	-172.5	-57.5	173.8	0	0	0	110.4	Y1132 S1167 V1168 V1170 Q1201 D1207 I1208	Y1132-L1203 HydrophobicContact CD1-CD1 3.71Å; Y1132-L1203 HydrophobicContact CE1-CD1 3.79Å; Y1132-L1203 HydrophobicContact CE1-CD2 4.45Å; S1167-L1203 CarbonylContact C-O 3.59Å; S1167-L1203 WeakPolarHBondContact CA-O 3.27Å; V1168-L1203 PolarHBondContact N-O 3.26Å; V1168-L1203 PolarHBondContact O-N 2.92Å; V1170-L1203 HydrophobicContact CG2-CD1 3.73Å; V1170-L1203 HydrophobicContact CG2-CG 4.48Å; Q1201-L1203 HydrophobicContact CB-CD2 4.29Å; Q1201-L1203 HydrophobicContact CB-CG 4.46Å; L1203-D1207 HydrophobicContact CB-CB 4.33Å; L1203-D1207 HydrophobicContact CD2-CB 4.19Å; L1203-I1208 HydrophobicContact CB-CD1 4.29Å; L1203-I1208 HydrophobicContact CB-CG1 3.89Å; L1203-I1208 HydrophobicContact CD1-CG1 4.33Å
1204	T	95.4	Very high	94	Very high	61 Å²	61	44.4 Å²	44.4	37%	0.374	28%	0.275	S	S	.	.			trans	-78.1	168.1	168.7	67.7	0	0	0	0	110.7	Q1206 D1207 I1208	T1204-Q1206 PolarHBondContact O-N 3.13Å; T1204-Q1206 PolarHBondContact OG1-N 3.05Å; T1204-D1207 WeakPolarHBondContact CB-OD2 3.48Å; T1204-D1207 PolarHBondContact N-OD2 3.46Å; T1204-D1207 PolarHBondContact O-N 3.33Å; T1204-D1207 PolarHBondContact OG1-N 2.66Å; T1204-D1207 PolarHBondContact OG1-OD2 2.8Å; T1204-I1208 VanDerWaalsContact O-CG1 3.31Å; T1204-I1208 WeakPolarHBondContact O-CG1 3.26Å; T1204-I1208 PolarHBondContact O-N 2.95Å
1205	M	94.3	Very high	93.9	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.044	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-39	172.8	-176.2	56.9	-179.3	0	0	112	L86 F88 L1136 Q1139 F1164 I1208 L1209	L86-M1205 HydrophobicContact CD1-CG 4.41Å; F88-M1205 HydrophobicContact CD1-CE 3.55Å; F88-M1205 HydrophobicContact CE1-CE 3.37Å; F88-M1205 HydrophobicContact CE2-CE 4.36Å; F88-M1205 HydrophobicContact CG-CE 4.14Å; F88-M1205 HydrophobicContact CZ-CE 3.81Å; L1136-M1205 HydrophobicContact CD1-CE 4.09Å; Q1139-M1205 HydrophobicContact CB-SD 3.72Å; Q1139-M1205 HydrophobicContact CG-SD 3.67Å; F1164-M1205 HydrophobicContact CB-CB 4.24Å; F1164-M1205 HydrophobicContact CD1-CB 4.49Å; F1164-M1205 HydrophobicContact CD1-CE 4.23Å; F1164-M1205 HydrophobicContact CD1-CG 3.89Å; F1164-M1205 HydrophobicContact CD1-SD 4.03Å; F1164-M1205 HydrophobicContact CD2-CG 4.35Å; F1164-M1205 HydrophobicContact CE1-CE 3.89Å; F1164-M1205 HydrophobicContact CE1-CG 4.18Å; F1164-M1205 HydrophobicContact CE1-SD 4.3Å; F1164-M1205 HydrophobicContact CG-CB 4.18Å; F1164-M1205 HydrophobicContact CG-CG 3.98Å; M1205-I1208 PolarHBondContact O-N 3.42Å; M1205-L1209 HydrophobicContact CE-CD1 4.12Å; M1205-L1209 HydrophobicContact CE-CD2 3.81Å; M1205-L1209 HydrophobicContact CE-CG 3.94Å; M1205-L1209 HydrophobicContact CG-CD1 4.41Å; M1205-L1209 WeakPolarHBondContact O-CG 3.19Å; M1205-L1209 PolarHBondContact O-N 2.96Å; M1205-L1209 HydrophobicContact SD-CG 4.47Å
1206	Q	93.1	Very high	93.6	Very high	87 Å²	87	45.3 Å²	45.3	41%	0.407	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-46.4	177.6	-172.1	62.1	46.9	0	0	111.6	L86 T1204 I1208 L1209 D1210	L86-Q1206 VanDerWaalsContact CD2-OE1 3.25Å; T1204-Q1206 PolarHBondContact O-N 3.13Å; T1204-Q1206 PolarHBondContact OG1-N 3.05Å; Q1206-I1208 PolarHBondContact O-N 3.36Å; Q1206-L1209 PolarHBondContact O-N 3.44Å; Q1206-L1209 VanDerWaalsContact O-N 3.14Å; Q1206-D1210 PolarHBondContact NE2-OD1 3.11Å; Q1206-D1210 VanDerWaalsContact O-CG 3.27Å; Q1206-D1210 PolarHBondContact O-N 3.48Å
1207	D	95.6	Very high	93.2	Very high	63 Å²	63	49.9 Å²	49.9	34%	0.337	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-40.8	177.5	-59	-51.2	0	0	0	111.2	L1203 T1204 D1210 K1211	L1203-D1207 HydrophobicContact CB-CB 4.33Å; L1203-D1207 HydrophobicContact CD2-CB 4.19Å; T1204-D1207 WeakPolarHBondContact CB-OD2 3.48Å; T1204-D1207 PolarHBondContact N-OD2 3.46Å; T1204-D1207 PolarHBondContact O-N 3.33Å; T1204-D1207 PolarHBondContact OG1-N 2.66Å; T1204-D1207 PolarHBondContact OG1-OD2 2.8Å; D1207-D1210 PolarHBondContact O-N 2.79Å; D1207-K1211 WeakPolarHBondContact O-CG 3.2Å; D1207-K1211 PolarHBondContact O-N 2.94Å
1208	I	96.3	Very high	92.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-44.5	178.6	-65.7	164.9	0	0	0	110.7	A1135 L1136 Q1139 V1168 L1203 T1204 M1205 Q1206 D1210 K1211 T1212	A1135-I1208 HydrophobicContact CB-CD1 3.83Å; A1135-I1208 HydrophobicContact CB-CG1 4.06Å; L1136-I1208 HydrophobicContact CB-CG2 3.63Å; L1136-I1208 HydrophobicContact CD1-CG2 4.02Å; L1136-I1208 HydrophobicContact CG-CG2 4.37Å; Q1139-I1208 HydrophobicContact CG-CD1 3.8Å; V1168-I1208 HydrophobicContact CB-CD1 4.15Å; V1168-I1208 HydrophobicContact CG2-CD1 3.9Å; L1203-I1208 HydrophobicContact CB-CD1 4.29Å; L1203-I1208 HydrophobicContact CB-CG1 3.89Å; L1203-I1208 HydrophobicContact CD1-CG1 4.33Å; T1204-I1208 VanDerWaalsContact O-CG1 3.31Å; T1204-I1208 WeakPolarHBondContact O-CG1 3.26Å; T1204-I1208 PolarHBondContact O-N 2.95Å; M1205-I1208 PolarHBondContact O-N 3.42Å; Q1206-I1208 PolarHBondContact O-N 3.36Å; I1208-D1210 VanDerWaalsContact C-N 3.34Å; I1208-D1210 PolarHBondContact O-N 3.1Å; I1208-K1211 PolarHBondContact O-N 2.84Å; I1208-T1212 HydrophobicContact CG2-CG2 4.23Å; I1208-T1212 WeakPolarHBondContact O-CB 3.48Å; I1208-T1212 VanDerWaalsContact O-CG2 3.32Å; I1208-T1212 WeakPolarHBondContact O-CG2 3.3Å; I1208-T1212 PolarHBondContact O-N 2.61Å; I1208-T1212 PolarHBondContact O-OG1 3.06Å
1209	L	94.1	Very high	92.1	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-43.2	177.5	-70.4	177.1	0	0	0	111.5	L86 F88 L1136 M1205 Q1206 K1211 T1212 G1213 G1214	L86-L1209 HydrophobicContact CD2-CD1 4.16Å; F88-L1209 HydrophobicContact CB-CD2 3.67Å; F88-L1209 HydrophobicContact CD1-CD2 4.4Å; F88-L1209 HydrophobicContact CG-CD2 4Å; L1136-L1209 HydrophobicContact CD1-CD2 4.38Å; M1205-L1209 HydrophobicContact CE-CD1 4.12Å; M1205-L1209 HydrophobicContact CE-CD2 3.81Å; M1205-L1209 HydrophobicContact CE-CG 3.94Å; M1205-L1209 HydrophobicContact CG-CD1 4.41Å; M1205-L1209 WeakPolarHBondContact O-CG 3.19Å; M1205-L1209 PolarHBondContact O-N 2.96Å; M1205-L1209 HydrophobicContact SD-CG 4.47Å; Q1206-L1209 PolarHBondContact O-N 3.44Å; Q1206-L1209 VanDerWaalsContact O-N 3.14Å; L1209-K1211 VanDerWaalsContact C-N 3.3Å; L1209-K1211 PolarHBondContact O-N 3.25Å; L1209-T1212 PolarHBondContact O-N 2.65Å; L1209-G1213 WeakPolarHBondContact O-CA 3.49Å; L1209-G1213 PolarHBondContact O-N 2.77Å; L1209-G1214 PolarHBondContact O-N 3.26Å
1210	D	93.8	Very high	91.9	Very high	103 Å²	103	56.4 Å²	56.4	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-63.7	-36.3	178.7	-66.4	-11.8	0	0	0	111.9	Q1206 D1207 I1208	Q1206-D1210 PolarHBondContact NE2-OD1 3.11Å; Q1206-D1210 VanDerWaalsContact O-CG 3.27Å; Q1206-D1210 PolarHBondContact O-N 3.48Å; D1207-D1210 PolarHBondContact O-N 2.79Å; I1208-D1210 VanDerWaalsContact C-N 3.34Å; I1208-D1210 PolarHBondContact O-N 3.1Å
1211	K	94.4	Very high	91.7	Very high	129 Å²	129	58.5 Å²	58.5	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-78	-31.2	178.5	-66.9	-65.4	-177.5	-167.9	0	113.8	Y1132 D1207 I1208 L1209	Y1132-K1211 HydrophobicContact CD1-CB 3.99Å; Y1132-K1211 HydrophobicContact CD1-CG 4.07Å; Y1132-K1211 HydrophobicContact CD2-CB 4.09Å; Y1132-K1211 HydrophobicContact CE1-CB 4.28Å; Y1132-K1211 HydrophobicContact CE1-CD 4.33Å; Y1132-K1211 HydrophobicContact CE1-CG 3.88Å; Y1132-K1211 HydrophobicContact CE2-CB 4.38Å; Y1132-K1211 HydrophobicContact CE2-CD 4.25Å; Y1132-K1211 HydrophobicContact CE2-CG 4.38Å; Y1132-K1211 HydrophobicContact CG-CB 3.88Å; Y1132-K1211 HydrophobicContact CG-CG 4.39Å; D1207-K1211 WeakPolarHBondContact O-CG 3.2Å; D1207-K1211 PolarHBondContact O-N 2.94Å; I1208-K1211 PolarHBondContact O-N 2.84Å; L1209-K1211 VanDerWaalsContact C-N 3.3Å; L1209-K1211 PolarHBondContact O-N 3.25Å
1212	T	94	Very high	91.4	Very high	27 Å²	27	57 Å²	57	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-100.4	-12.3	-174.3	57.7	0	0	0	0	113.6	L1136 I1208 L1209 G1214 S1215	L1136-T1212 HydrophobicContact CB-CG2 4.36Å; L1136-T1212 HydrophobicContact CD2-CG2 4.3Å; I1208-T1212 HydrophobicContact CG2-CG2 4.23Å; I1208-T1212 WeakPolarHBondContact O-CB 3.48Å; I1208-T1212 VanDerWaalsContact O-CG2 3.32Å; I1208-T1212 WeakPolarHBondContact O-CG2 3.3Å; I1208-T1212 PolarHBondContact O-N 2.61Å; I1208-T1212 PolarHBondContact O-OG1 3.06Å; L1209-T1212 PolarHBondContact O-N 2.65Å; T1212-G1214 PolarHBondContact O-N 3.14Å; T1212-G1214 PolarHBondContact OG1-N 2.79Å; T1212-G1214 VanDerWaalsContact OG1-N 3.1Å; T1212-S1215 PolarHBondContact O-N 3.46Å
1213	G	90.5	Very high	91.1	Very high	33 Å²	33	57.7 Å²	57.7	34%	0.34	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	20.7	-164.6	0	0	0	0	0	112.3	Y23 L1209 S1215	Y23-G1213 WeakPolarHBondContact CE2-O 3.16Å; Y23-G1213 VanDerWaalsContact CZ-O 3.3Å; Y23-G1213 PolarHBondContact OH-O 3.29Å; L1209-G1213 WeakPolarHBondContact O-CA 3.49Å; L1209-G1213 PolarHBondContact O-N 2.77Å; G1213-S1215 PolarHBondContact O-N 3.1Å; G1213-S1215 VanDerWaalsContact O-N 3.17Å
1214	G	86.1	Confident	90.7	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	22.1	-174.9	0	0	0	0	0	114.5	Y23 L1209 T1212	Y23-G1214 VanDerWaalsContact OH-CA 3.29Å; Y23-G1214 WeakPolarHBondContact OH-CA 3.27Å; L1209-G1214 PolarHBondContact O-N 3.26Å; T1212-G1214 PolarHBondContact O-N 3.14Å; T1212-G1214 PolarHBondContact OG1-N 2.79Å; T1212-G1214 VanDerWaalsContact OG1-N 3.1Å
1215	S	87.6	Confident	90.4	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	32%	0.32	S	S	.	.			trans	-106.6	137.4	174.8	170.6	0	0	0	0	110.1	T1212 G1213 K1217	T1212-S1215 PolarHBondContact O-N 3.46Å; G1213-S1215 PolarHBondContact O-N 3.1Å; G1213-S1215 VanDerWaalsContact O-N 3.17Å; S1215-K1217 VanDerWaalsContact C-N 3.29Å; S1215-K1217 PolarHBondContact OG-N 2.87Å; S1215-K1217 PolarHBondContact OG-O 3.26Å; S1215-K1217 VanDerWaalsContact OG-O 3.13Å
1216	M	88.1	Confident	90.1	Very high	11 Å²	11	64.8 Å²	64.8	5%	0.054	34%	0.341	C	S	.	.	S	Bend	trans	-79.1	-10.5	169.5	-76.5	-61.9	-65.9	0	0	113.1	P91 F1108 I1110 Q1133 L1136 A1137 I1140	P91-M1216 HydrophobicContact CG-CG 4.25Å; F1108-M1216 HydrophobicContact CD1-CB 3.86Å; F1108-M1216 HydrophobicContact CD2-CB 4.02Å; F1108-M1216 HydrophobicContact CD2-CE 3.93Å; F1108-M1216 HydrophobicContact CD2-CG 4.47Å; F1108-M1216 HydrophobicContact CE1-CB 3.55Å; F1108-M1216 HydrophobicContact CE2-CB 3.72Å; F1108-M1216 HydrophobicContact CE2-CE 4.34Å; F1108-M1216 HydrophobicContact CE2-CG 4.04Å; F1108-M1216 HydrophobicContact CG-CB 4.09Å; F1108-M1216 HydrophobicContact CG-CE 4.42Å; F1108-M1216 HydrophobicContact CZ-CB 3.48Å; F1108-M1216 VanDerWaalsContact CZ-CB 3.48Å; F1108-M1216 HydrophobicContact CZ-CG 4.15Å; I1110-M1216 HydrophobicContact CD1-CE 3.61Å; Q1133-M1216 HydrophobicContact CG-CE 4.18Å; Q1133-M1216 PolarHBondContact NE2-O 3.06Å; L1136-M1216 HydrophobicContact CB-SD 3.91Å; L1136-M1216 HydrophobicContact CD2-CG 4.12Å; L1136-M1216 HydrophobicContact CD2-SD 3.66Å; L1136-M1216 HydrophobicContact CG-CG 4.5Å; L1136-M1216 HydrophobicContact CG-SD 3.63Å; A1137-M1216 HydrophobicContact CB-CE 3.69Å; A1137-M1216 HydrophobicContact CB-SD 4.43Å; I1140-M1216 HydrophobicContact CD1-CG 3.9Å; I1140-M1216 HydrophobicContact CD1-SD 3.99Å
1217	K	83.7	Confident	89.8	Confident	157 Å²	157	63 Å²	63	68%	0.683	34%	0.336	S	S	*	.			trans	-90.5	125.5	174.1	-66.3	-179.2	179.5	176.9	0	109.3	F1108 S1215	F1108-K1217 HydrophobicContact CD1-CG 4.29Å; F1108-K1217 HydrophobicContact CE1-CG 4.16Å; S1215-K1217 VanDerWaalsContact C-N 3.29Å; S1215-K1217 PolarHBondContact OG-N 2.87Å; S1215-K1217 PolarHBondContact OG-O 3.26Å; S1215-K1217 VanDerWaalsContact OG-O 3.13Å
1218	L	73.6	Confident	89.3	Confident	167 Å²	167	63 Å²	63	87%	0.874	34%	0.336	S	S	*	.			trans	-69.6	0	172.4	-80	168.8	0	0	0	112	H1130	H1130-L1218 VanDerWaalsContact CD2-CD1 3.45Å; H1130-L1218 WeakPolarHBondContact CD2-CD1 3.49Å; H1130-L1218 WeakPolarHBondContact NE2-CD1 3.34Å

Retrieved 1,218 of 1,218 residues in 1779 ms (Link to these results)

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