A0A077Z2S0_TRITR Loading...

Synaptosomal-associated protein

Involved in pre-mRNA splicing and cell cycle progression. Required for the spliceosome assembly and initiation of the DNA replication. Involved in pre-mRNA splicing process. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A077Z2S0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 919 aa.

						>A0A077Z2S0_TRITR|A0A077Z2S0
MMTAKFNSSKRDDDDDDLSTIQLKSAQITDESLESTRRMLNLCEESKEAGIKTLVMLDDQGEQLERTEQGLDTINTDMREAEEHLKGMEKCCGLCILPCFGFLRSGDFEKNPEYANTWKKDDDGGVIADQPRITVGDPGAVGPSSGYITRITNDAREDEMDENIQQVSNMVGNLRNMAIDMGTEIYNQNRQLDRINQKALSNQERISVANQRATKIISKVKNKAPAPVQITAEQLLREAKERNLEILPPPPKKRISDPEELREYQYKRRKEFEDNIRKNRSSIPNWIRYAKWEEEQGELQRSRSVFERALEVAHRNVTIWLQYAEMEIRNRQINHARNVWDRAVSLLPRAIQFWLKYTYMEEMLGNIPGARQVFERWMEWEPGEQAWSTYINFEMRYHEVDRARLVWQRFINTDRDSKNWIRYARFEERQGSIKNARLVYERAVEYFGTEHVDVGVLLAFAKFEERQKEHDRVRVIYRYALEHVPKDKLEPIQKALALHEKKYGEKISIENVIVSKRKDMYEQQVQADPFNYDAWFDYLRLLESEEADHSTIREIYERAIAQVPPKQVKRLWRRYIYLWINYALYEELIAENPDRTRQVYNACIELLPHKKFTFAKIWLMFAHFEIRQGNLTDARKILGVAIGKCPKEKLFRGYVDLELQLREFDRCRILYEKALQFAPENCTCWIKYAELETLLGDIDRARGVYELAISQPALDMPEVLWKSYIDFEISQEEFANARQLYQRLLEKTQNVKVWISFAQFEANTDEDDRVEKSRRVYRNANTSLRSSATKEERLALLESWKAFEDEYGSEESLREVEGEMPKRVKKRRKATTEDGVDIGWEEYYDYIFPSDEMGAANMKLLALAKQWKQKQLEQQKSVDSEKQAEIKEEFDNSSSRDFDQEKGDTDTDLDDSTTSESED
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	41.6	Very low	240 Å²	240	163.4 Å²	163.4	100%	1.182	85%	0.849	S	S	*	*				0	117.9	0	-98.2	174.2	178.6	0	0	108.2
2	M	36.5	Very low	42.3	Very low	173 Å²	173	161.6 Å²	161.6	85%	0.852	84%	0.841	S	S	*	*			trans	60.3	112.6	158	-67.4	-178.2	178.5	0	0	121.3
3	T	40.1	Very low	42.9	Very low	136 Å²	136	159.5 Å²	159.5	83%	0.834	83%	0.832	S	S	*	*			trans	68.2	132.9	134.9	56.8	0	0	0	0	118.8
4	A	42.3	Very low	43.5	Very low	98 Å²	98	155.6 Å²	155.6	81%	0.81	81%	0.812	S	S	*	*			cis	-163.2	143.3	3.3	0	0	0	0	0	109.5
5	K	40.4	Very low	44.4	Very low	198 Å²	198	152.6 Å²	152.6	86%	0.861	80%	0.798	S	S	*	*			trans	-71.4	136.8	158.7	-70.9	172.4	171.9	177.6	0	108
6	F	39	Very low	45.5	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.864	79%	0.79	S	S	*	*			trans	-176.8	139.3	137.5	-119.6	-93.7	0	0	0	111.5
7	N	39.6	Very low	47.1	Very low	136 Å²	136	147.9 Å²	147.9	73%	0.727	78%	0.775	S	S	*	*			trans	81.1	88.6	168.2	-70.9	-11.6	0	0	0	120.3
8	S	42.8	Very low	48.6	Very low	125 Å²	125	144.7 Å²	144.7	87%	0.874	76%	0.758	S	S	*	*			trans	-133.8	40	167.9	73.1	0	0	0	0	113.7
9	S	47.3	Very low	50.1	Low	112 Å²	112	140.3 Å²	140.3	78%	0.783	74%	0.74	S	S	*	*	S	Bend	trans	-135.3	33.9	-178.3	81.7	0	0	0	0	114.9
10	K	46.4	Very low	51.5	Low	181 Å²	181	136.9 Å²	136.9	79%	0.787	73%	0.725	S	S	*	*	S	Bend	trans	-142.1	19.8	-176	-120.2	-173.9	-175.3	-171.6	0	115
11	R	45.7	Very low	52.8	Low	201 Å²	201	135.5 Å²	135.5	76%	0.758	72%	0.717	S	S	*	*	S	Bend	trans	-110	-9.2	-176.7	-67.5	-173.4	-161.5	172	5.2	114.9
12	D	49.4	Very low	54.8	Low	142 Å²	142	130 Å²	130	76%	0.759	69%	0.688	S	S	*	*	S	Bend	trans	-90.1	-22.3	-172.4	-59.7	-18.1	0	0	0	113.5	D14	D12-D14 VanDerWaalsContact C-N 3.31Å
13	D	50.6	Low	56.9	Low	135 Å²	135	127.1 Å²	127.1	72%	0.722	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-21.5	175.6	-67.5	-38.2	0	0	0	112.4	D15	D13-D15 VanDerWaalsContact C-N 3.31Å; D13-D15 PolarHBondContact O-N 3.43Å
14	D	51.3	Low	59.1	Low	104 Å²	104	127.1 Å²	127.1	56%	0.556	66%	0.664	S	S	*	*	H	α-helix	trans	-75.1	-18.6	-175.7	-64.1	-35.4	0	0	0	112.6	D12 L18	D12-D14 VanDerWaalsContact C-N 3.31Å; D14-L18 PolarHBondContact O-N 3.11Å
15	D	56.3	Low	60.9	Low	111 Å²	111	124.7 Å²	124.7	59%	0.594	64%	0.642	S	S	*	*	H	α-helix	trans	-80.6	-34.1	-177.2	-81.5	-22.7	0	0	0	113.5	D13 L18 S19	D13-D15 VanDerWaalsContact C-N 3.31Å; D13-D15 PolarHBondContact O-N 3.43Å; D15-L18 WeakPolarHBondContact O-CB 3.43Å; D15-L18 PolarHBondContact O-N 3.25Å; D15-S19 PolarHBondContact O-N 3.46Å
16	D	62.8	Low	63	Low	126 Å²	126	117 Å²	117	67%	0.674	62%	0.615	S	S	*	*	H	α-helix	trans	-72.4	-38.9	177	-99.8	-10.6	0	0	0	111.6	L18 S19 T20	D16-L18 VanDerWaalsContact C-N 3.26Å; D16-L18 PolarHBondContact O-N 3.25Å; D16-S19 PolarHBondContact O-N 3.06Å; D16-S19 PolarHBondContact O-OG 3.41Å; D16-T20 PolarHBondContact O-N 3.25Å; D16-T20 PolarHBondContact O-OG1 2.87Å
17	D	73.3	Confident	65.2	Low	99 Å²	99	112.8 Å²	112.8	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-62.3	-35.4	173.4	-80.2	-17.7	0	0	0	111	S19 T20 I21	D17-S19 PolarHBondContact O-N 3.26Å; D17-T20 PolarHBondContact O-N 3.02Å; D17-T20 PolarHBondContact O-OG1 3.44Å; D17-I21 WeakPolarHBondContact O-CB 3.43Å; D17-I21 VanDerWaalsContact O-CD1 3.29Å; D17-I21 WeakPolarHBondContact O-CD1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.49Å; D17-I21 PolarHBondContact O-N 3.47Å
18	L	73.7	Confident	67.5	Low	91 Å²	91	111.2 Å²	111.2	48%	0.476	59%	0.588	S	S	.	*	H	α-helix	trans	-62.9	-42.8	176.5	-168.4	68.3	0	0	0	112.3	D14 D15 D16 I21 Q22	D14-L18 PolarHBondContact O-N 3.11Å; D15-L18 WeakPolarHBondContact O-CB 3.43Å; D15-L18 PolarHBondContact O-N 3.25Å; D16-L18 VanDerWaalsContact C-N 3.26Å; D16-L18 PolarHBondContact O-N 3.25Å; L18-I21 PolarHBondContact O-N 3.02Å; L18-Q22 VanDerWaalsContact O-CG 3.31Å; L18-Q22 WeakPolarHBondContact O-CG 3.41Å; L18-Q22 PolarHBondContact O-N 3.42Å
19	S	76.2	Confident	69.5	Low	60 Å²	60	106 Å²	106	42%	0.42	55%	0.551	S	S	.	*	H	α-helix	trans	-67.3	-40.1	-179.4	77.6	0	0	0	0	112.9	D15 D16 D17 Q22 L23	D15-S19 PolarHBondContact O-N 3.46Å; D16-S19 PolarHBondContact O-N 3.06Å; D16-S19 PolarHBondContact O-OG 3.41Å; D17-S19 PolarHBondContact O-N 3.26Å; S19-Q22 PolarHBondContact O-N 3.5Å; S19-L23 PolarHBondContact O-N 3.42Å; S19-L23 VanDerWaalsContact O-N 3.08Å
20	T	78.5	Confident	71.4	Confident	72 Å²	72	104.4 Å²	104.4	44%	0.442	53%	0.534	S	S	.	.	H	α-helix	trans	-71.4	-35.1	179	51.5	0	0	0	0	111.9	D16 D17 L23 K24	D16-T20 PolarHBondContact O-N 3.25Å; D16-T20 PolarHBondContact O-OG1 2.87Å; D17-T20 PolarHBondContact O-N 3.02Å; D17-T20 PolarHBondContact O-OG1 3.44Å; T20-L23 PolarHBondContact O-N 2.76Å; T20-K24 PolarHBondContact O-N 3.06Å; T20-K24 VanDerWaalsContact O-N 3.13Å
21	I	79.4	Confident	73.4	Confident	109 Å²	109	102 Å²	102	56%	0.559	53%	0.526	S	S	*	.	H	α-helix	trans	-63.9	-43.2	171.6	-69.3	166.2	0	0	0	110.4	D17 L18 L23 K24 S25	D17-I21 WeakPolarHBondContact O-CB 3.43Å; D17-I21 VanDerWaalsContact O-CD1 3.29Å; D17-I21 WeakPolarHBondContact O-CD1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.49Å; D17-I21 PolarHBondContact O-N 3.47Å; L18-I21 PolarHBondContact O-N 3.02Å; I21-L23 PolarHBondContact O-N 3.02Å; I21-K24 PolarHBondContact O-N 3.27Å; I21-S25 WeakPolarHBondContact O-CB 3.49Å; I21-S25 PolarHBondContact O-N 3.36Å
22	Q	80	Confident	75.5	Confident	123 Å²	123	94.9 Å²	94.9	58%	0.575	51%	0.507	S	S	*	.	H	α-helix	trans	-61.1	-42	176.7	-75.6	175.1	2.1	0	0	112.7	L18 S19 S25 A26	L18-Q22 VanDerWaalsContact O-CG 3.31Å; L18-Q22 WeakPolarHBondContact O-CG 3.41Å; L18-Q22 PolarHBondContact O-N 3.42Å; S19-Q22 PolarHBondContact O-N 3.5Å; Q22-S25 WeakPolarHBondContact O-CB 3.4Å; Q22-S25 PolarHBondContact O-N 3.01Å; Q22-A26 PolarHBondContact O-N 2.98Å
23	L	80.7	Confident	77.4	Confident	113 Å²	113	88.8 Å²	88.8	59%	0.592	47%	0.474	S	S	*	.	H	α-helix	trans	-69.7	-40.5	-179.6	-161.9	125.9	0	0	0	112.6	S19 T20 I21 S25 A26 Q27	S19-L23 PolarHBondContact O-N 3.42Å; S19-L23 VanDerWaalsContact O-N 3.08Å; T20-L23 PolarHBondContact O-N 2.76Å; I21-L23 PolarHBondContact O-N 3.02Å; L23-S25 VanDerWaalsContact C-N 3.32Å; L23-A26 PolarHBondContact O-N 3.08Å; L23-Q27 PolarHBondContact O-N 3.4Å; L23-Q27 VanDerWaalsContact O-N 3.08Å
24	K	84.8	Confident	79.3	Confident	136 Å²	136	87.8 Å²	87.8	59%	0.591	47%	0.465	S	S	*	.	H	α-helix	trans	-64.1	-38.7	172	-74.8	179	-179.4	171.9	0	111.6	T20 I21 A26 Q27 I28	T20-K24 PolarHBondContact O-N 3.06Å; T20-K24 VanDerWaalsContact O-N 3.13Å; I21-K24 PolarHBondContact O-N 3.27Å; K24-A26 VanDerWaalsContact C-N 3.3Å; K24-A26 PolarHBondContact O-N 3.31Å; K24-Q27 PolarHBondContact O-N 3.47Å; K24-I28 VanDerWaalsContact O-CG1 3.3Å; K24-I28 WeakPolarHBondContact O-CG1 3.49Å; K24-I28 PolarHBondContact O-N 3.36Å
25	S	81.2	Confident	81.2	Confident	48 Å²	48	85.4 Å²	85.4	34%	0.336	46%	0.456	S	S	.	.	H	α-helix	trans	-57.9	-45	173.8	-167.1	0	0	0	0	110.9	I21 Q22 L23 I28 T29	I21-S25 WeakPolarHBondContact O-CB 3.49Å; I21-S25 PolarHBondContact O-N 3.36Å; Q22-S25 WeakPolarHBondContact O-CB 3.4Å; Q22-S25 PolarHBondContact O-N 3.01Å; L23-S25 VanDerWaalsContact C-N 3.32Å; S25-I28 PolarHBondContact O-N 2.99Å; S25-T29 WeakPolarHBondContact O-CG2 3.46Å; S25-T29 PolarHBondContact O-N 3.03Å; S25-T29 PolarHBondContact O-OG1 3.49Å
26	A	84.3	Confident	82.9	Confident	35 Å²	35	80.7 Å²	80.7	29%	0.289	43%	0.431	S	S	.	.	H	α-helix	trans	-66.3	-37.6	178.7	0	0	0	0	0	113.6	Q22 L23 K24 T29 D30 R156	Q22-A26 PolarHBondContact O-N 2.98Å; L23-A26 PolarHBondContact O-N 3.08Å; K24-A26 VanDerWaalsContact C-N 3.3Å; K24-A26 PolarHBondContact O-N 3.31Å; A26-T29 VanDerWaalsContact C-OG1 3.26Å; A26-T29 VanDerWaalsContact CA-OG1 3.29Å; A26-T29 WeakPolarHBondContact CA-OG1 3.48Å; A26-T29 PolarHBondContact O-N 3.4Å; A26-T29 PolarHBondContact O-OG1 3.48Å; A26-D30 PolarHBondContact O-N 3.1Å; A26-R156 PolarHBondContact O-NH1 3.38Å
27	Q	85.4	Confident	84.3	Confident	109 Å²	109	80.2 Å²	80.2	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-65.9	-45	175.6	-76.1	-179.6	-25.8	0	0	112	L23 K24 T29 D30 E31	L23-Q27 PolarHBondContact O-N 3.4Å; L23-Q27 VanDerWaalsContact O-N 3.08Å; K24-Q27 PolarHBondContact O-N 3.47Å; Q27-T29 VanDerWaalsContact C-N 3.28Å; Q27-T29 PolarHBondContact O-N 3.36Å; Q27-D30 PolarHBondContact O-N 3.39Å; Q27-E31 PolarHBondContact O-N 2.92Å
28	I	86.9	Confident	85.2	Confident	103 Å²	103	81.9 Å²	81.9	53%	0.528	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-39.8	177.9	-67.2	168.1	0	0	0	110.2	K24 S25 D30 E31 S32	K24-I28 VanDerWaalsContact O-CG1 3.3Å; K24-I28 WeakPolarHBondContact O-CG1 3.49Å; K24-I28 PolarHBondContact O-N 3.36Å; S25-I28 PolarHBondContact O-N 2.99Å; I28-D30 VanDerWaalsContact C-N 3.34Å; I28-D30 PolarHBondContact O-N 3.3Å; I28-E31 PolarHBondContact O-N 3.09Å; I28-S32 WeakPolarHBondContact O-CB 3.46Å; I28-S32 PolarHBondContact O-N 3.5Å; I28-S32 PolarHBondContact O-OG 3.42Å; I28-S32 VanDerWaalsContact O-OG 3.09Å
29	T	85.1	Confident	86.1	Confident	16 Å²	16	81.9 Å²	81.9	10%	0.098	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-37.1	176.3	50.3	0	0	0	0	113.2	S25 A26 Q27 L33 R156	S25-T29 WeakPolarHBondContact O-CG2 3.46Å; S25-T29 PolarHBondContact O-N 3.03Å; S25-T29 PolarHBondContact O-OG1 3.49Å; A26-T29 VanDerWaalsContact C-OG1 3.26Å; A26-T29 VanDerWaalsContact CA-OG1 3.29Å; A26-T29 WeakPolarHBondContact CA-OG1 3.48Å; A26-T29 PolarHBondContact O-N 3.4Å; A26-T29 PolarHBondContact O-OG1 3.48Å; Q27-T29 VanDerWaalsContact C-N 3.28Å; Q27-T29 PolarHBondContact O-N 3.36Å; T29-L33 PolarHBondContact O-N 2.97Å; T29-L33 VanDerWaalsContact O-N 3.16Å; T29-R156 PolarHBondContact OG1-NH1 2.98Å; T29-R156 PolarHBondContact OG1-NH2 2.93Å
30	D	86.9	Confident	86.8	Confident	78 Å²	78	79.9 Å²	79.9	42%	0.417	40%	0.402	S	S	.	.	H	α-helix	trans	-72.7	-40.8	178.3	-71.3	-18.9	0	0	0	112	A26 Q27 I28 S32 L33 E34 R156	A26-D30 PolarHBondContact O-N 3.1Å; Q27-D30 PolarHBondContact O-N 3.39Å; I28-D30 VanDerWaalsContact C-N 3.34Å; I28-D30 PolarHBondContact O-N 3.3Å; D30-S32 VanDerWaalsContact C-N 3.34Å; D30-S32 PolarHBondContact O-N 2.98Å; D30-L33 PolarHBondContact O-N 3Å; D30-E34 PolarHBondContact O-N 2.94Å; D30-E34 VanDerWaalsContact O-N 3.11Å; D30-R156 WeakPolarHBondContact OD1-CD 2.95Å; D30-R156 IonicContact OD1-CZ 3.39Å; D30-R156 IonicContact OD1-NE 3.72Å; D30-R156 IonicContact OD1-NH1 2.95Å; D30-R156 PolarHBondContact OD1-NH1 2.85Å; D30-R156 IonicContact OD2-NH1 2.9Å
31	E	89.8	Confident	87.4	Confident	132 Å²	132	81.1 Å²	81.1	62%	0.617	41%	0.406	S	S	*	.	H	α-helix	trans	-63.8	-39.4	175.9	-71.4	-178.7	179.2	0	0	112	Q27 I28 L33 S35	Q27-E31 PolarHBondContact O-N 2.92Å; I28-E31 PolarHBondContact O-N 3.09Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-S35 PolarHBondContact O-N 3.35Å; E31-S35 VanDerWaalsContact O-N 3.12Å
32	S	89.5	Confident	88	Confident	51 Å²	51	81.2 Å²	81.2	36%	0.357	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-42	172.6	-67.8	0	0	0	0	111.4	I28 D30 S35 T36 M160	I28-S32 WeakPolarHBondContact O-CB 3.46Å; I28-S32 PolarHBondContact O-N 3.5Å; I28-S32 PolarHBondContact O-OG 3.42Å; I28-S32 VanDerWaalsContact O-OG 3.09Å; D30-S32 VanDerWaalsContact C-N 3.34Å; D30-S32 PolarHBondContact O-N 2.98Å; S32-S35 WeakPolarHBondContact O-CB 3.46Å; S32-S35 PolarHBondContact O-N 3.41Å; S32-T36 WeakPolarHBondContact O-CG2 3.46Å; S32-T36 PolarHBondContact O-N 3.3Å; S32-M160 VanDerWaalsContact C-SD 3.58Å; S32-M160 WeakPolarHBondContact CB-SD 3.47Å
33	L	89.6	Confident	88.6	Confident	14 Å²	14	76 Å²	76	7%	0.073	38%	0.384	C	S	.	.	H	α-helix	trans	-62.4	-47.8	178.4	179.5	64	0	0	0	112.5	T29 D30 E31 S35 T36 R37 R156 E159 M160	T29-L33 PolarHBondContact O-N 2.97Å; T29-L33 VanDerWaalsContact O-N 3.16Å; D30-L33 PolarHBondContact O-N 3Å; E31-L33 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.98Å; L33-T36 PolarHBondContact O-N 3.12Å; L33-T36 VanDerWaalsContact O-N 3.14Å; L33-T36 PolarHBondContact O-OG1 2.7Å; L33-R37 PolarHBondContact O-N 3.34Å; L33-R156 HydrophobicContact CD2-CB 4.27Å; L33-R156 HydrophobicContact CD2-CG 4.32Å; L33-E159 HydrophobicContact CD1-CB 3.88Å; L33-E159 HydrophobicContact CD1-CG 3.97Å; L33-M160 HydrophobicContact CB-CG 3.77Å; L33-M160 HydrophobicContact CB-SD 4.04Å; L33-M160 HydrophobicContact CD1-CB 4.39Å; L33-M160 HydrophobicContact CD1-CG 3.44Å; L33-M160 VanDerWaalsContact CD1-CG 3.44Å; L33-M160 HydrophobicContact CG-CG 4.21Å; L33-M160 PolarHBondContact N-SD 3.15Å; L33-M160 VanDerWaalsContact N-SD 3.37Å
34	E	89.3	Confident	89	Confident	113 Å²	113	76 Å²	76	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-33.1	176	-71.1	-170.1	170.9	0	0	112.8	D30 R37 R38	D30-E34 PolarHBondContact O-N 2.94Å; D30-E34 VanDerWaalsContact O-N 3.11Å; E34-R37 PolarHBondContact O-N 3.41Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 VanDerWaalsContact O-N 3.12Å; E34-R38 IonicContact OE2-NH1 3.1Å
35	S	91.3	Very high	89.3	Confident	54 Å²	54	76 Å²	76	38%	0.378	38%	0.383	S	S	.	.	H	α-helix	trans	-65.5	-41.1	175	-163.4	0	0	0	0	112.2	E31 S32 L33 R37 R38 M39	E31-S35 PolarHBondContact O-N 3.35Å; E31-S35 VanDerWaalsContact O-N 3.12Å; S32-S35 WeakPolarHBondContact O-CB 3.46Å; S32-S35 PolarHBondContact O-N 3.41Å; L33-S35 PolarHBondContact O-N 2.98Å; S35-R37 PolarHBondContact O-N 3.31Å; S35-R38 PolarHBondContact O-N 3.38Å; S35-M39 PolarHBondContact O-N 3.49Å; S35-M39 VanDerWaalsContact O-N 3.11Å
36	T	92.3	Very high	89.8	Confident	12 Å²	12	76.5 Å²	76.5	7%	0.074	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-38.7	176.1	65.1	0	0	0	0	112.3	S32 L33 M39 L40 M160 N163 I164	S32-T36 WeakPolarHBondContact O-CG2 3.46Å; S32-T36 PolarHBondContact O-N 3.3Å; L33-T36 PolarHBondContact O-N 3.12Å; L33-T36 VanDerWaalsContact O-N 3.14Å; L33-T36 PolarHBondContact O-OG1 2.7Å; T36-M39 WeakPolarHBondContact O-CB 3.47Å; T36-M39 PolarHBondContact O-N 3.27Å; T36-L40 PolarHBondContact O-N 2.99Å; T36-M160 HydrophobicContact CG2-CB 4.11Å; T36-M160 HydrophobicContact CG2-CG 4.13Å; T36-N163 PolarHBondContact OG1-ND2 2.99Å; T36-I164 HydrophobicContact CG2-CD1 4.03Å; T36-I164 HydrophobicContact CG2-CG1 3.82Å
37	R	92.5	Very high	90.1	Very high	116 Å²	116	79.1 Å²	79.1	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-40.6	175.7	-68.4	178.9	177.4	166	0.4	113	L33 E34 S35 M39 L40 N41 E159	L33-R37 PolarHBondContact O-N 3.34Å; E34-R37 PolarHBondContact O-N 3.41Å; S35-R37 PolarHBondContact O-N 3.31Å; R37-M39 VanDerWaalsContact C-N 3.28Å; R37-M39 PolarHBondContact O-N 3.1Å; R37-L40 PolarHBondContact O-N 2.95Å; R37-N41 PolarHBondContact O-N 3.35Å; R37-E159 IonicContact CZ-OE1 3.85Å; R37-E159 IonicContact CZ-OE2 3.43Å; R37-E159 IonicContact NE-OE1 3.95Å; R37-E159 PolarHBondContact NE-OE1 3.49Å; R37-E159 IonicContact NH2-OE1 3.89Å; R37-E159 PolarHBondContact NH2-OE1 3.18Å; R37-E159 IonicContact NH2-OE2 2.85Å; R37-E159 PolarHBondContact NH2-OE2 3.37Å
38	R	92.8	Very high	90.3	Very high	135 Å²	135	80 Å²	80	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-63.8	-35.5	174.7	-72.4	-172.2	-64.2	-96.8	-0.1	112.1	E34 S35 L42	E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 VanDerWaalsContact O-N 3.12Å; E34-R38 IonicContact OE2-NH1 3.1Å; S35-R38 PolarHBondContact O-N 3.38Å; R38-L42 PolarHBondContact O-N 3.18Å
39	M	91.9	Very high	90.5	Very high	91 Å²	91	77.8 Å²	77.8	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-39.2	178	-166.8	177.7	-77	0	0	112	S35 T36 R37 C43 V167	S35-M39 PolarHBondContact O-N 3.49Å; S35-M39 VanDerWaalsContact O-N 3.11Å; T36-M39 WeakPolarHBondContact O-CB 3.47Å; T36-M39 PolarHBondContact O-N 3.27Å; R37-M39 VanDerWaalsContact C-N 3.28Å; R37-M39 PolarHBondContact O-N 3.1Å; M39-C43 PolarHBondContact O-N 3.08Å; M39-C43 PolarHBondContact O-SG 3.08Å; M39-V167 HydrophobicContact CB-CG2 4.05Å; M39-V167 HydrophobicContact CG-CB 4.43Å; M39-V167 HydrophobicContact CG-CG1 3.81Å; M39-V167 HydrophobicContact CG-CG2 3.76Å; M39-V167 HydrophobicContact SD-CB 4.37Å; M39-V167 HydrophobicContact SD-CG1 3.71Å; M39-V167 HydrophobicContact SD-CG2 4.14Å
40	L	91.5	Very high	90.8	Very high	17 Å²	17	77.4 Å²	77.4	9%	0.089	39%	0.393	C	S	.	.	H	α-helix	trans	-60	-51.6	174.3	-79.7	172.4	0	0	0	112.6	T36 R37 L42 C43 E44 N163 Q166 V167 M170	T36-L40 PolarHBondContact O-N 2.99Å; R37-L40 PolarHBondContact O-N 2.95Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3.42Å; L40-C43 WeakPolarHBondContact O-CB 3.23Å; L40-C43 PolarHBondContact O-N 3.29Å; L40-E44 PolarHBondContact O-N 3.07Å; L40-N163 HydrophobicContact CD1-CB 3.75Å; L40-N163 VanDerWaalsContact CD1-OD1 3.24Å; L40-N163 WeakPolarHBondContact CD1-OD1 3.31Å; L40-N163 HydrophobicContact CG-CB 4.39Å; L40-Q166 HydrophobicContact CD2-CB 3.53Å; L40-V167 HydrophobicContact CB-CG2 4.44Å; L40-V167 HydrophobicContact CD2-CB 4.47Å; L40-V167 HydrophobicContact CD2-CG2 3.54Å; L40-V167 HydrophobicContact CG-CG2 3.74Å; L40-M170 HydrophobicContact CD2-SD 4.13Å
41	N	90.7	Very high	90.9	Very high	98 Å²	98	77.5 Å²	77.5	52%	0.524	39%	0.392	S	S	.	.	H	α-helix	trans	-58.6	-41	-178.5	-69.5	-7.6	0	0	0	112.3	R37 C43 E44 E45	R37-N41 PolarHBondContact O-N 3.35Å; N41-C43 VanDerWaalsContact C-N 3.32Å; N41-C43 PolarHBondContact O-N 3.41Å; N41-E44 PolarHBondContact O-N 3.37Å; N41-E45 PolarHBondContact O-N 2.99Å
42	L	92.2	Very high	90.9	Very high	112 Å²	112	77.9 Å²	77.9	59%	0.586	39%	0.392	S	S	*	.	H	α-helix	trans	-65.5	-34.1	176.8	-73.2	171.1	0	0	0	112.7	R38 L40 S46	R38-L42 PolarHBondContact O-N 3.18Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3.42Å; L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 3.32Å; L42-S46 PolarHBondContact O-OG 3.3Å
43	C	91.6	Very high	91	Very high	13 Å²	13	78.7 Å²	78.7	9%	0.088	40%	0.395	C	S	.	.	H	α-helix	trans	-69.3	-34.6	175.2	-66.9	0	0	0	0	111.7	M39 L40 N41 K47 M170	M39-C43 PolarHBondContact O-N 3.08Å; M39-C43 PolarHBondContact O-SG 3.08Å; L40-C43 WeakPolarHBondContact O-CB 3.23Å; L40-C43 PolarHBondContact O-N 3.29Å; N41-C43 VanDerWaalsContact C-N 3.32Å; N41-C43 PolarHBondContact O-N 3.41Å; C43-K47 WeakPolarHBondContact O-CB 3.45Å; C43-K47 PolarHBondContact O-N 3.27Å; C43-M170 HydrophobicContact CB-CB 3.95Å; C43-M170 HydrophobicContact CB-CE 3.5Å; C43-M170 VanDerWaalsContact CB-CE 3.5Å; C43-M170 HydrophobicContact CB-SD 3.96Å; C43-M170 WeakPolarHBondContact O-CE 3.32Å
44	E	89	Confident	90.9	Very high	112 Å²	112	80.1 Å²	80.1	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-68.5	-47.7	179.4	-72.2	-168.5	154.2	0	0	110.9	L40 N41 S46 K47 E48 M170	L40-E44 PolarHBondContact O-N 3.07Å; N41-E44 PolarHBondContact O-N 3.37Å; E44-S46 VanDerWaalsContact C-N 3.3Å; E44-S46 PolarHBondContact O-N 2.62Å; E44-K47 WeakPolarHBondContact O-CB 3.23Å; E44-K47 PolarHBondContact O-N 2.81Å; E44-K47 VanDerWaalsContact O-N 3.1Å; E44-E48 PolarHBondContact O-N 3.48Å; E44-E48 VanDerWaalsContact O-N 3.12Å; E44-M170 VanDerWaalsContact CA-CE 3.44Å; E44-M170 HydrophobicContact CB-CE 3.97Å; E44-M170 HydrophobicContact CG-CE 3.33Å; E44-M170 HydrophobicContact CG-SD 4.31Å
45	E	91.2	Very high	91	Very high	136 Å²	136	78.7 Å²	78.7	64%	0.636	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-41.5	176.1	-69.6	-178.9	178.9	0	0	111.8	N41 K47 E48 A49	N41-E45 PolarHBondContact O-N 2.99Å; E45-K47 VanDerWaalsContact C-N 3.31Å; E45-K47 PolarHBondContact O-N 3.26Å; E45-E48 PolarHBondContact O-N 2.88Å; E45-A49 PolarHBondContact O-N 2.85Å
46	S	92.1	Very high	90.9	Very high	60 Å²	60	81.8 Å²	81.8	42%	0.42	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-36.1	176.7	-60.2	0	0	0	0	112	L42 E44 A49 G50	L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 3.32Å; L42-S46 PolarHBondContact O-OG 3.3Å; E44-S46 VanDerWaalsContact C-N 3.3Å; E44-S46 PolarHBondContact O-N 2.62Å; S46-A49 PolarHBondContact O-N 2.97Å; S46-G50 PolarHBondContact O-N 2.78Å; S46-G50 VanDerWaalsContact O-N 3.09Å
47	K	90.5	Very high	90.8	Very high	89 Å²	89	82 Å²	82	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-67	-44.2	179.6	178.3	-174.6	173	-176	0	111.2	C43 E44 E45 A49 G50 I51 L174 M177	C43-K47 WeakPolarHBondContact O-CB 3.45Å; C43-K47 PolarHBondContact O-N 3.27Å; E44-K47 WeakPolarHBondContact O-CB 3.23Å; E44-K47 PolarHBondContact O-N 2.81Å; E44-K47 VanDerWaalsContact O-N 3.1Å; E45-K47 VanDerWaalsContact C-N 3.31Å; E45-K47 PolarHBondContact O-N 3.26Å; K47-A49 VanDerWaalsContact C-N 3.34Å; K47-A49 PolarHBondContact O-N 2.86Å; K47-G50 PolarHBondContact O-N 2.98Å; K47-I51 HydrophobicContact CG-CD1 4.11Å; K47-I51 WeakPolarHBondContact O-CG1 3.43Å; K47-I51 PolarHBondContact O-N 3.33Å; K47-I51 VanDerWaalsContact O-N 3.08Å; K47-L174 HydrophobicContact CB-CD2 4.35Å; K47-M177 HydrophobicContact CB-CE 4.39Å; K47-M177 HydrophobicContact CG-CE 3.97Å
48	E	90.4	Very high	90.5	Very high	128 Å²	128	81.8 Å²	81.8	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-63.6	-38.4	177.9	-69.8	-167.7	171.9	0	0	112.9	E44 E45 K52	E44-E48 PolarHBondContact O-N 3.48Å; E44-E48 VanDerWaalsContact O-N 3.12Å; E45-E48 PolarHBondContact O-N 2.88Å; E48-K52 PolarHBondContact O-N 2.74Å
49	A	91.2	Very high	90.3	Very high	56 Å²	56	79.6 Å²	79.6	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-45.6	175	0	0	0	0	0	111.4	E45 S46 K47 I51 K52 T53	E45-A49 PolarHBondContact O-N 2.85Å; S46-A49 PolarHBondContact O-N 2.97Å; K47-A49 VanDerWaalsContact C-N 3.34Å; K47-A49 PolarHBondContact O-N 2.86Å; A49-I51 PolarHBondContact O-N 3.42Å; A49-K52 PolarHBondContact O-N 3.26Å; A49-T53 PolarHBondContact O-N 3.13Å; A49-T53 PolarHBondContact O-OG1 3.1Å
50	G	90.4	Very high	90.2	Very high	9 Å²	9	79.7 Å²	79.7	9%	0.093	42%	0.417	C	S	.	.	H	α-helix	trans	-59.8	-43.1	177.9	0	0	0	0	0	113.8	S46 K47 K52 T53 L54	S46-G50 PolarHBondContact O-N 2.78Å; S46-G50 VanDerWaalsContact O-N 3.09Å; K47-G50 PolarHBondContact O-N 2.98Å; G50-K52 PolarHBondContact O-N 3.07Å; G50-T53 PolarHBondContact O-N 3.19Å; G50-L54 PolarHBondContact O-N 3.43Å
51	I	88.7	Confident	90.1	Very high	80 Å²	80	79.4 Å²	79.4	41%	0.41	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-45	178.5	-67.2	167.3	0	0	0	111.3	K47 A49 T53 L54 V55 M177	K47-I51 HydrophobicContact CG-CD1 4.11Å; K47-I51 WeakPolarHBondContact O-CG1 3.43Å; K47-I51 PolarHBondContact O-N 3.33Å; K47-I51 VanDerWaalsContact O-N 3.08Å; A49-I51 PolarHBondContact O-N 3.42Å; I51-T53 VanDerWaalsContact C-N 3.3Å; I51-T53 PolarHBondContact O-N 3.49Å; I51-L54 PolarHBondContact O-N 3.24Å; I51-V55 WeakPolarHBondContact O-CG2 3.44Å; I51-V55 PolarHBondContact O-N 3.44Å; I51-V55 VanDerWaalsContact O-N 3.16Å; I51-M177 HydrophobicContact CG1-SD 3.8Å
52	K	91.2	Very high	89.9	Confident	139 Å²	139	79.1 Å²	79.1	60%	0.604	41%	0.413	S	S	*	.	H	α-helix	trans	-62.6	-38.6	179.4	-73.4	175	-175.8	163.9	0	111.9	E48 A49 G50 M56	E48-K52 PolarHBondContact O-N 2.74Å; A49-K52 PolarHBondContact O-N 3.26Å; G50-K52 PolarHBondContact O-N 3.07Å; K52-M56 WeakPolarHBondContact O-CG 3.41Å; K52-M56 PolarHBondContact O-N 2.86Å
53	T	90.3	Very high	89.8	Confident	69 Å²	69	79.5 Å²	79.5	42%	0.423	41%	0.412	S	S	.	.	H	α-helix	trans	-67.9	-40.4	178	-55.1	0	0	0	0	112	A49 G50 I51 M56 L57 M181	A49-T53 PolarHBondContact O-N 3.13Å; A49-T53 PolarHBondContact O-OG1 3.1Å; G50-T53 PolarHBondContact O-N 3.19Å; I51-T53 VanDerWaalsContact C-N 3.3Å; I51-T53 PolarHBondContact O-N 3.49Å; T53-M56 PolarHBondContact O-N 2.95Å; T53-L57 HydrophobicContact CG2-CD1 4.38Å; T53-L57 WeakPolarHBondContact O-CG 2.99Å; T53-L57 PolarHBondContact O-N 3.15Å; T53-L57 VanDerWaalsContact O-N 3.11Å; T53-M181 HydrophobicContact CG2-SD 3.5Å; T53-M181 WeakPolarHBondContact CG2-SD 3.37Å
54	L	89	Confident	89.8	Confident	43 Å²	43	80.3 Å²	80.3	23%	0.225	42%	0.416	C	S	.	.	H	α-helix	trans	-61.5	-44.9	175.7	-82.2	167.3	0	0	0	112.9	G50 I51 M56 L57 D58 M177 D180 M181	G50-L54 PolarHBondContact O-N 3.43Å; I51-L54 PolarHBondContact O-N 3.24Å; L54-M56 VanDerWaalsContact C-N 3.32Å; L54-M56 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 3.16Å; L54-L57 VanDerWaalsContact O-N 3.14Å; L54-D58 PolarHBondContact O-N 3.07Å; L54-M177 HydrophobicContact CD1-CB 3.83Å; L54-M177 HydrophobicContact CD1-CG 3.67Å; L54-M177 HydrophobicContact CD1-SD 4.12Å; L54-D180 HydrophobicContact CD2-CB 4.07Å; L54-M181 HydrophobicContact CD1-CG 4.46Å; L54-M181 HydrophobicContact CD2-CB 4.29Å; L54-M181 HydrophobicContact CD2-CG 3.38Å; L54-M181 HydrophobicContact CG-CG 3.54Å; L54-M181 HydrophobicContact CG-SD 4.31Å
55	V	90.6	Very high	89.8	Confident	84 Å²	84	79.7 Å²	79.7	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-41.5	178	174.3	0	0	0	0	111.5	I51 L57 D58 D59	I51-V55 WeakPolarHBondContact O-CG2 3.44Å; I51-V55 PolarHBondContact O-N 3.44Å; I51-V55 VanDerWaalsContact O-N 3.16Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 3.49Å; V55-D58 PolarHBondContact O-N 3.48Å; V55-D59 PolarHBondContact O-N 3.35Å
56	M	89.1	Confident	89.7	Confident	119 Å²	119	79.8 Å²	79.8	59%	0.586	41%	0.407	S	S	*	.	H	α-helix	trans	-67.4	-29.5	177.4	-70.7	-176.5	69.3	0	0	113.1	K52 T53 L54 Q60	K52-M56 WeakPolarHBondContact O-CG 3.41Å; K52-M56 PolarHBondContact O-N 2.86Å; T53-M56 PolarHBondContact O-N 2.95Å; L54-M56 VanDerWaalsContact C-N 3.32Å; L54-M56 PolarHBondContact O-N 3.44Å; M56-Q60 VanDerWaalsContact O-CG 3.25Å; M56-Q60 WeakPolarHBondContact O-CG 3.12Å; M56-Q60 PolarHBondContact O-N 2.97Å
57	L	90.7	Very high	89.6	Confident	16 Å²	16	80.3 Å²	80.3	8%	0.084	41%	0.408	C	S	.	.	H	α-helix	trans	-73.2	-41.3	175	-75.2	169.6	0	0	0	111.3	T53 L54 V55 Q60 G61 M181 E184 I185 Q188	T53-L57 HydrophobicContact CG2-CD1 4.38Å; T53-L57 WeakPolarHBondContact O-CG 2.99Å; T53-L57 PolarHBondContact O-N 3.15Å; T53-L57 VanDerWaalsContact O-N 3.11Å; L54-L57 PolarHBondContact O-N 3.16Å; L54-L57 VanDerWaalsContact O-N 3.14Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 3.49Å; L57-Q60 WeakPolarHBondContact O-CB 3.44Å; L57-Q60 PolarHBondContact O-N 2.97Å; L57-Q60 VanDerWaalsContact O-N 3.16Å; L57-G61 PolarHBondContact O-N 3.15Å; L57-M181 HydrophobicContact CD1-CB 4.08Å; L57-M181 HydrophobicContact CD1-CG 3.96Å; L57-E184 HydrophobicContact CB-CG 4.05Å; L57-I185 HydrophobicContact CD1-CD1 4.13Å; L57-I185 HydrophobicContact CD1-CG1 3.92Å; L57-I185 HydrophobicContact CD2-CD1 4.34Å; L57-I185 HydrophobicContact CD2-CG1 3.67Å; L57-I185 HydrophobicContact CG-CG1 4.49Å; L57-Q188 PolarHBondContact O-NE2 2.97Å
58	D	86.5	Confident	89.5	Confident	112 Å²	112	77.1 Å²	77.1	60%	0.599	39%	0.394	S	S	*	.	H	α-helix	trans	-59.7	-48	176.9	-169.4	58.1	0	0	0	111.9	L54 V55 Q60 G61 E62	L54-D58 PolarHBondContact O-N 3.07Å; V55-D58 PolarHBondContact O-N 3.48Å; D58-Q60 PolarHBondContact O-N 2.81Å; D58-G61 PolarHBondContact O-N 2.92Å; D58-G61 VanDerWaalsContact O-N 3.09Å; D58-E62 PolarHBondContact O-N 3.3Å
59	D	87.6	Confident	89.4	Confident	88 Å²	88	75.8 Å²	75.8	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-59.1	-33.7	175.3	-79.9	-14.1	0	0	0	112.7	V55 Q63	V55-D59 PolarHBondContact O-N 3.35Å; D59-Q63 WeakPolarHBondContact O-CG 3.22Å; D59-Q63 PolarHBondContact O-N 3.02Å
60	Q	89.4	Confident	89.4	Confident	94 Å²	94	74.6 Å²	74.6	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-72.7	-40.9	175.7	-75.3	172.4	25.3	0	0	111.5	M56 L57 D58 Q63 L64	M56-Q60 VanDerWaalsContact O-CG 3.25Å; M56-Q60 WeakPolarHBondContact O-CG 3.12Å; M56-Q60 PolarHBondContact O-N 2.97Å; L57-Q60 WeakPolarHBondContact O-CB 3.44Å; L57-Q60 PolarHBondContact O-N 2.97Å; L57-Q60 VanDerWaalsContact O-N 3.16Å; D58-Q60 PolarHBondContact O-N 2.81Å; Q60-Q63 PolarHBondContact O-N 3.24Å; Q60-L64 WeakPolarHBondContact O-CG 3.43Å; Q60-L64 PolarHBondContact O-N 3.4Å; Q60-L64 VanDerWaalsContact O-N 3.1Å
61	G	89.1	Confident	89.4	Confident	10 Å²	10	75.3 Å²	75.3	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-45.7	175.9	0	0	0	0	0	112.2	L57 D58 Q63 L64 E65	L57-G61 PolarHBondContact O-N 3.15Å; D58-G61 PolarHBondContact O-N 2.92Å; D58-G61 VanDerWaalsContact O-N 3.09Å; G61-Q63 VanDerWaalsContact C-N 3.27Å; G61-Q63 PolarHBondContact O-N 2.91Å; G61-L64 PolarHBondContact O-N 2.81Å; G61-L64 VanDerWaalsContact O-N 3.09Å; G61-E65 PolarHBondContact O-N 2.85Å
62	E	88.3	Confident	89.3	Confident	92 Å²	92	74.4 Å²	74.4	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-35.7	178.3	-160	-164.8	-171.9	0	0	112.1	D58 R66	D58-E62 PolarHBondContact O-N 3.3Å; E62-R66 VanDerWaalsContact CD-CZ 3.44Å; E62-R66 WeakPolarHBondContact O-CG 3.37Å; E62-R66 PolarHBondContact O-N 2.92Å; E62-R66 VanDerWaalsContact O-N 3.12Å; E62-R66 IonicContact OE1-CZ 2.68Å; E62-R66 IonicContact OE1-NE 3.13Å; E62-R66 IonicContact OE1-NH2 3.61Å; E62-R66 PolarHBondContact OE1-NH2 3.47Å; E62-R66 IonicContact OE2-CZ 2.98Å; E62-R66 VanDerWaalsContact OE2-CZ 3.3Å; E62-R66 IonicContact OE2-NH1 3.87Å; E62-R66 PolarHBondContact OE2-NH1 2.9Å; E62-R66 IonicContact OE2-NH2 2.7Å; E62-R66 PolarHBondContact OE2-NH2 2.95Å
63	Q	89.7	Confident	89.2	Confident	121 Å²	121	71.3 Å²	71.3	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-66.6	-41.4	174.6	-70.8	179.8	32.2	0	0	112	D59 Q60 G61 R66 T67	D59-Q63 WeakPolarHBondContact O-CG 3.22Å; D59-Q63 PolarHBondContact O-N 3.02Å; Q60-Q63 PolarHBondContact O-N 3.24Å; G61-Q63 VanDerWaalsContact C-N 3.27Å; G61-Q63 PolarHBondContact O-N 2.91Å; Q63-R66 PolarHBondContact O-N 3.15Å; Q63-T67 WeakPolarHBondContact O-CG2 3.38Å; Q63-T67 PolarHBondContact O-N 2.98Å; Q63-T67 VanDerWaalsContact O-N 3.16Å
64	L	90.9	Very high	89.1	Confident	30 Å²	30	71.1 Å²	71.1	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-64.7	-42.4	176.8	-67.1	177.5	0	0	0	111.4	Q60 G61 R66 T67 E68 Q188 Q191 L192 I195	Q60-L64 WeakPolarHBondContact O-CG 3.43Å; Q60-L64 PolarHBondContact O-N 3.4Å; Q60-L64 VanDerWaalsContact O-N 3.1Å; G61-L64 PolarHBondContact O-N 2.81Å; G61-L64 VanDerWaalsContact O-N 3.09Å; L64-R66 PolarHBondContact O-N 3.3Å; L64-T67 WeakPolarHBondContact CA-OG1 3.48Å; L64-T67 PolarHBondContact O-N 3.49Å; L64-T67 VanDerWaalsContact O-N 3.14Å; L64-T67 PolarHBondContact O-OG1 3.04Å; L64-E68 PolarHBondContact O-N 3.24Å; L64-Q188 HydrophobicContact CD1-CB 3.88Å; L64-Q188 HydrophobicContact CD1-CG 4.07Å; L64-Q191 HydrophobicContact CB-CG 4.32Å; L64-Q191 VanDerWaalsContact CB-OE1 3.28Å; L64-L192 HydrophobicContact CD1-CD2 4.4Å; L64-L192 HydrophobicContact CD1-CG 4.08Å; L64-L192 HydrophobicContact CD2-CD2 3.5Å; L64-L192 VanDerWaalsContact CD2-CD2 3.5Å; L64-L192 HydrophobicContact CD2-CG 4.09Å; L64-I195 HydrophobicContact CB-CD1 4.09Å; L64-I195 HydrophobicContact CD2-CD1 4.04Å
65	E	88	Confident	89	Confident	99 Å²	99	69.7 Å²	69.7	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-45.6	176.7	-166.8	-175.7	171.2	0	0	112.3	G61 T67 E68 Q69	G61-E65 PolarHBondContact O-N 2.85Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 3.02Å; E65-E68 PolarHBondContact O-N 2.89Å; E65-E68 VanDerWaalsContact O-N 3.15Å; E65-Q69 HydrophobicContact CG-CG 4.47Å; E65-Q69 WeakPolarHBondContact O-CG 3.28Å; E65-Q69 PolarHBondContact O-N 3.3Å; E65-Q69 PolarHBondContact OE1-NE2 3.46Å
66	R	90.6	Very high	88.8	Confident	137 Å²	137	69.1 Å²	69.1	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-37.5	175.2	-71.7	178.3	-170.8	138.2	-2.5	112.2	E62 Q63 L64 G70	E62-R66 VanDerWaalsContact CD-CZ 3.44Å; E62-R66 WeakPolarHBondContact O-CG 3.37Å; E62-R66 PolarHBondContact O-N 2.92Å; E62-R66 VanDerWaalsContact O-N 3.12Å; E62-R66 IonicContact OE1-CZ 2.68Å; E62-R66 IonicContact OE1-NE 3.13Å; E62-R66 IonicContact OE1-NH2 3.61Å; E62-R66 PolarHBondContact OE1-NH2 3.47Å; E62-R66 IonicContact OE2-CZ 2.98Å; E62-R66 VanDerWaalsContact OE2-CZ 3.3Å; E62-R66 IonicContact OE2-NH1 3.87Å; E62-R66 PolarHBondContact OE2-NH1 2.9Å; E62-R66 IonicContact OE2-NH2 2.7Å; E62-R66 PolarHBondContact OE2-NH2 2.95Å; Q63-R66 PolarHBondContact O-N 3.15Å; L64-R66 PolarHBondContact O-N 3.3Å; R66-G70 PolarHBondContact O-N 2.98Å; R66-G70 VanDerWaalsContact O-N 3.08Å
67	T	89.7	Confident	88.8	Confident	71 Å²	71	67.6 Å²	67.6	44%	0.436	35%	0.351	S	S	.	.	H	α-helix	trans	-70.6	-38.1	176.6	59.7	0	0	0	0	112.6	Q63 L64 E65 G70 L71 I195	Q63-T67 WeakPolarHBondContact O-CG2 3.38Å; Q63-T67 PolarHBondContact O-N 2.98Å; Q63-T67 VanDerWaalsContact O-N 3.16Å; L64-T67 WeakPolarHBondContact CA-OG1 3.48Å; L64-T67 PolarHBondContact O-N 3.49Å; L64-T67 VanDerWaalsContact O-N 3.14Å; L64-T67 PolarHBondContact O-OG1 3.04Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 3.02Å; T67-G70 PolarHBondContact O-N 3.33Å; T67-L71 WeakPolarHBondContact O-CG 3.48Å; T67-L71 PolarHBondContact O-N 3.45Å; T67-L71 VanDerWaalsContact O-N 3.14Å; T67-I195 WeakPolarHBondContact OG1-CD1 3.4Å
68	E	88.5	Confident	88.5	Confident	22 Å²	22	67.8 Å²	67.8	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-46.3	177	-168.1	172.2	-168.5	0	0	111.5	L64 E65 G70 L71 D72 Q191 R194 I195 K198	L64-E68 PolarHBondContact O-N 3.24Å; E65-E68 PolarHBondContact O-N 2.89Å; E65-E68 VanDerWaalsContact O-N 3.15Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 3.31Å; E68-L71 WeakPolarHBondContact O-CB 3.37Å; E68-L71 PolarHBondContact O-N 3.31Å; E68-D72 PolarHBondContact O-N 3.45Å; E68-Q191 VanDerWaalsContact OE2-CG 3.3Å; E68-Q191 WeakPolarHBondContact OE2-CG 3.24Å; E68-Q191 PolarHBondContact OE2-NE2 3.25Å; E68-R194 IonicContact OE1-NE 2.63Å; E68-R194 PolarHBondContact OE1-NE 2.87Å; E68-R194 IonicContact OE2-NH2 2.85Å; E68-I195 HydrophobicContact CB-CD1 4.27Å; E68-I195 HydrophobicContact CB-CG1 3.84Å; E68-I195 HydrophobicContact CG-CG1 4.17Å; E68-K198 HydrophobicContact CG-CD 4.15Å; E68-K198 IonicContact OE1-NZ 3.26Å; E68-K198 PolarHBondContact OE1-NZ 2.94Å; E68-K198 VanDerWaalsContact OE1-NZ 3.13Å
69	Q	89	Confident	88.4	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-37	174.8	-69.3	177.5	7.4	0	0	112.3	E65 L71 D72 T73	E65-Q69 HydrophobicContact CG-CG 4.47Å; E65-Q69 WeakPolarHBondContact O-CG 3.28Å; E65-Q69 PolarHBondContact O-N 3.3Å; E65-Q69 PolarHBondContact OE1-NE2 3.46Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 2.86Å; Q69-D72 PolarHBondContact O-N 3.48Å; Q69-T73 PolarHBondContact O-N 2.79Å; Q69-T73 PolarHBondContact O-OG1 3.02Å
70	G	90.4	Very high	88.2	Confident	31 Å²	31	69.3 Å²	69.3	32%	0.32	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-38.9	172.7	0	0	0	0	0	112.5	R66 T67 E68 T73 I74	R66-G70 PolarHBondContact O-N 2.98Å; R66-G70 VanDerWaalsContact O-N 3.08Å; T67-G70 PolarHBondContact O-N 3.33Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 3.31Å; G70-T73 PolarHBondContact O-N 3.48Å; G70-I74 WeakPolarHBondContact O-CD1 3.44Å; G70-I74 VanDerWaalsContact O-CG1 3.27Å; G70-I74 WeakPolarHBondContact O-CG1 3.47Å; G70-I74 PolarHBondContact O-N 3.43Å
71	L	89.9	Confident	87.9	Confident	25 Å²	25	66.6 Å²	66.6	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-69.6	-36.2	175.4	-68.3	171.3	0	0	0	112.5	T67 E68 Q69 I74 N75 W118 I195 K198 A199 N202	T67-L71 WeakPolarHBondContact O-CG 3.48Å; T67-L71 PolarHBondContact O-N 3.45Å; T67-L71 VanDerWaalsContact O-N 3.14Å; E68-L71 WeakPolarHBondContact O-CB 3.37Å; E68-L71 PolarHBondContact O-N 3.31Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 2.86Å; L71-I74 HydrophobicContact CD2-CD1 4.34Å; L71-I74 PolarHBondContact O-N 3.13Å; L71-N75 PolarHBondContact O-N 3.15Å; L71-W118 WeakPolarHBondContact O-CH2 3.32Å; L71-I195 HydrophobicContact CD1-CB 4.4Å; L71-I195 HydrophobicContact CD1-CG2 3.85Å; L71-I195 WeakPolarHBondContact CD1-O 3.5Å; L71-K198 HydrophobicContact CB-CB 4.18Å; L71-K198 HydrophobicContact CD1-CB 3.92Å; L71-A199 HydrophobicContact CD1-CB 4.09Å; L71-A199 HydrophobicContact CD2-CB 4.15Å; L71-N202 PolarHBondContact O-ND2 3.2Å
72	D	87.8	Confident	87.5	Confident	60 Å²	60	67.1 Å²	67.1	32%	0.321	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-41.6	173.9	-64.6	-22	0	0	0	111.7	E68 Q69 N75 T76 W118 K198	E68-D72 PolarHBondContact O-N 3.45Å; Q69-D72 PolarHBondContact O-N 3.48Å; D72-N75 WeakPolarHBondContact O-CB 3.43Å; D72-N75 PolarHBondContact O-N 3.02Å; D72-N75 VanDerWaalsContact O-N 3.12Å; D72-T76 PolarHBondContact O-N 2.94Å; D72-T76 PolarHBondContact O-OG1 2.97Å; D72-W118 WeakPolarHBondContact OD1-CZ3 3.17Å; D72-K198 WeakPolarHBondContact OD1-CD 3.38Å; D72-K198 VanDerWaalsContact OD1-CE 3.24Å; D72-K198 WeakPolarHBondContact OD1-CE 3.38Å; D72-K198 IonicContact OD1-NZ 3.25Å; D72-K198 PolarHBondContact OD1-NZ 3.09Å; D72-K198 IonicContact OD2-NZ 3.27Å; D72-K198 PolarHBondContact OD2-NZ 2.64Å
73	T	88.8	Confident	87.1	Confident	74 Å²	74	68.4 Å²	68.4	45%	0.454	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-43	175.6	-52.3	0	0	0	0	111.2	Q69 G70 N75 T76 D77	Q69-T73 PolarHBondContact O-N 2.79Å; Q69-T73 PolarHBondContact O-OG1 3.02Å; G70-T73 PolarHBondContact O-N 3.48Å; T73-N75 VanDerWaalsContact C-N 3.25Å; T73-N75 PolarHBondContact O-N 2.85Å; T73-T76 WeakPolarHBondContact CA-OG1 3.44Å; T73-T76 PolarHBondContact O-N 3.3Å; T73-T76 PolarHBondContact O-OG1 3.38Å; T73-D77 WeakPolarHBondContact O-CB 3.23Å; T73-D77 PolarHBondContact O-N 3.36Å
74	I	88	Confident	86.6	Confident	65 Å²	65	68.9 Å²	68.9	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-39.7	173.9	-70.5	163.4	0	0	0	110.6	G70 L71 D77 M78 N202 I206	G70-I74 WeakPolarHBondContact O-CD1 3.44Å; G70-I74 VanDerWaalsContact O-CG1 3.27Å; G70-I74 WeakPolarHBondContact O-CG1 3.47Å; G70-I74 PolarHBondContact O-N 3.43Å; L71-I74 HydrophobicContact CD2-CD1 4.34Å; L71-I74 PolarHBondContact O-N 3.13Å; I74-D77 PolarHBondContact O-N 2.93Å; I74-M78 HydrophobicContact CG2-CG 4.26Å; I74-M78 VanDerWaalsContact O-CB 3.3Å; I74-M78 WeakPolarHBondContact O-CB 3.45Å; I74-M78 WeakPolarHBondContact O-CG 3.47Å; I74-M78 PolarHBondContact O-N 3.33Å; I74-N202 HydrophobicContact CG2-CB 4.05Å; I74-I206 HydrophobicContact CG2-CD1 3.94Å
75	N	86.6	Confident	85.9	Confident	13 Å²	13	68.1 Å²	68.1	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-68.8	-37.5	179.9	-171.4	46.4	0	0	0	112.6	L71 D72 T73 M78 R79 Y114 W118 R205	L71-N75 PolarHBondContact O-N 3.15Å; D72-N75 WeakPolarHBondContact O-CB 3.43Å; D72-N75 PolarHBondContact O-N 3.02Å; D72-N75 VanDerWaalsContact O-N 3.12Å; T73-N75 VanDerWaalsContact C-N 3.25Å; T73-N75 PolarHBondContact O-N 2.85Å; N75-M78 PolarHBondContact O-N 2.81Å; N75-R79 PolarHBondContact O-N 3.49Å; N75-R79 VanDerWaalsContact O-N 3.12Å; N75-Y114 PolarHBondContact ND2-OH 3.27Å; N75-W118 HydrophobicContact CB-CD2 4.46Å; N75-W118 HydrophobicContact CB-CE3 4.04Å; N75-W118 HydrophobicContact CB-CH2 3.41Å; N75-W118 VanDerWaalsContact CB-CH2 3.41Å; N75-W118 HydrophobicContact CB-CZ2 3.86Å; N75-W118 HydrophobicContact CB-CZ3 3.49Å; N75-W118 VanDerWaalsContact CB-CZ3 3.49Å; N75-W118 VanDerWaalsContact ND2-CE3 3.31Å; N75-R205 PolarHBondContact OD1-NH1 3.45Å
76	T	87.2	Confident	85.1	Confident	72 Å²	72	66.7 Å²	66.7	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-44.9	172	46	0	0	0	0	111.9	D72 T73 M78 R79 E80	D72-T76 PolarHBondContact O-N 2.94Å; D72-T76 PolarHBondContact O-OG1 2.97Å; T73-T76 WeakPolarHBondContact CA-OG1 3.44Å; T73-T76 PolarHBondContact O-N 3.3Å; T73-T76 PolarHBondContact O-OG1 3.38Å; T76-M78 VanDerWaalsContact C-N 3.26Å; T76-M78 PolarHBondContact O-N 3.42Å; T76-R79 VanDerWaalsContact O-CB 3.31Å; T76-R79 WeakPolarHBondContact O-CB 3.48Å; T76-R79 PolarHBondContact O-N 2.7Å; T76-E80 PolarHBondContact O-N 2.98Å; T76-E80 VanDerWaalsContact O-N 3.1Å
77	D	87.3	Confident	84.2	Confident	87 Å²	87	62.1 Å²	62.1	47%	0.465	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-37.3	177.8	-69	-4.8	0	0	0	110.9	T73 I74 R79 E80 A81	T73-D77 WeakPolarHBondContact O-CB 3.23Å; T73-D77 PolarHBondContact O-N 3.36Å; I74-D77 PolarHBondContact O-N 2.93Å; D77-R79 VanDerWaalsContact C-N 3.31Å; D77-R79 PolarHBondContact O-N 3.37Å; D77-E80 PolarHBondContact O-N 3.15Å; D77-A81 VanDerWaalsContact O-CB 3.32Å; D77-A81 WeakPolarHBondContact O-CB 3.25Å; D77-A81 PolarHBondContact O-N 3.34Å
78	M	85.3	Confident	83	Confident	20 Å²	20	64.6 Å²	64.6	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-66.5	-32.5	174.8	-77.6	-49.7	-53.2	0	0	112.7	I74 N75 T76 E82 R205 I206 A209	I74-M78 HydrophobicContact CG2-CG 4.26Å; I74-M78 VanDerWaalsContact O-CB 3.3Å; I74-M78 WeakPolarHBondContact O-CB 3.45Å; I74-M78 WeakPolarHBondContact O-CG 3.47Å; I74-M78 PolarHBondContact O-N 3.33Å; N75-M78 PolarHBondContact O-N 2.81Å; T76-M78 VanDerWaalsContact C-N 3.26Å; T76-M78 PolarHBondContact O-N 3.42Å; M78-E82 WeakPolarHBondContact O-CB 3.42Å; M78-E82 VanDerWaalsContact O-CG 3.3Å; M78-E82 WeakPolarHBondContact O-CG 3.42Å; M78-E82 PolarHBondContact O-N 2.52Å; M78-R205 HydrophobicContact CB-CG 4.33Å; M78-R205 HydrophobicContact CE-CG 4.22Å; M78-I206 HydrophobicContact CE-CG1 4.29Å; M78-I206 HydrophobicContact CG-CG1 3.95Å; M78-I206 HydrophobicContact SD-CB 4.4Å; M78-I206 HydrophobicContact SD-CG1 3.51Å; M78-I206 VanDerWaalsContact SD-CG1 3.51Å; M78-A209 HydrophobicContact CE-CB 3.38Å
79	R	83.5	Confident	81.9	Confident	127 Å²	127	67.4 Å²	67.4	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-65.8	-46.5	173.3	-165.5	-178.5	77.8	173.2	1.8	110.9	N75 T76 D77 E82 E83 E109	N75-R79 PolarHBondContact O-N 3.49Å; N75-R79 VanDerWaalsContact O-N 3.12Å; T76-R79 VanDerWaalsContact O-CB 3.31Å; T76-R79 WeakPolarHBondContact O-CB 3.48Å; T76-R79 PolarHBondContact O-N 2.7Å; D77-R79 VanDerWaalsContact C-N 3.31Å; D77-R79 PolarHBondContact O-N 3.37Å; R79-E82 PolarHBondContact O-N 2.75Å; R79-E83 WeakPolarHBondContact O-CG 3.48Å; R79-E83 PolarHBondContact O-N 3.06Å; R79-E109 VanDerWaalsContact CD-OE1 3.22Å; R79-E109 WeakPolarHBondContact CD-OE1 3.49Å
80	E	84.3	Confident	80.4	Confident	105 Å²	105	70.3 Å²	70.3	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-44.3	175.5	-65.4	-172.3	175.6	0	0	111.3	T76 D77 E82 E83 H84	T76-E80 PolarHBondContact O-N 2.98Å; T76-E80 VanDerWaalsContact O-N 3.1Å; D77-E80 PolarHBondContact O-N 3.15Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 2.9Å; E80-E83 PolarHBondContact O-N 3.4Å; E80-H84 WeakPolarHBondContact O-CB 3.37Å; E80-H84 PolarHBondContact O-CD2 2.77Å; E80-H84 PolarHBondContact O-N 3.23Å
81	A	83.1	Confident	78.5	Confident	37 Å²	37	73.4 Å²	73.4	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-42	176.4	0	0	0	0	0	112.1	D77 H84 L85	D77-A81 VanDerWaalsContact O-CB 3.32Å; D77-A81 WeakPolarHBondContact O-CB 3.25Å; D77-A81 PolarHBondContact O-N 3.34Å; A81-H84 PolarHBondContact O-N 3.32Å; A81-L85 WeakPolarHBondContact O-CB 3.44Å; A81-L85 VanDerWaalsContact O-CG 3.22Å; A81-L85 WeakPolarHBondContact O-CG 3.39Å; A81-L85 PolarHBondContact O-N 2.93Å
82	E	79.9	Confident	76.4	Confident	22 Å²	22	77.1 Å²	77.1	10%	0.103	41%	0.407	C	S	.	.	H	α-helix	trans	-67.5	-37.8	175.4	-78.1	176	-177	0	0	112.9	M78 R79 E80 L85 K86 R205	M78-E82 WeakPolarHBondContact O-CB 3.42Å; M78-E82 VanDerWaalsContact O-CG 3.3Å; M78-E82 WeakPolarHBondContact O-CG 3.42Å; M78-E82 PolarHBondContact O-N 2.52Å; R79-E82 PolarHBondContact O-N 2.75Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 2.9Å; E82-L85 PolarHBondContact O-N 3.34Å; E82-K86 WeakPolarHBondContact O-CB 3.47Å; E82-K86 VanDerWaalsContact O-CG 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.43Å; E82-K86 PolarHBondContact O-N 3.35Å; E82-R205 VanDerWaalsContact CD-NE 3.34Å; E82-R205 WeakPolarHBondContact OE1-CG 3.4Å; E82-R205 IonicContact OE1-CZ 2.63Å; E82-R205 IonicContact OE1-NE 3.41Å; E82-R205 PolarHBondContact OE1-NE 3.21Å; E82-R205 IonicContact OE1-NH2 2.8Å; E82-R205 IonicContact OE2-CZ 2.83Å; E82-R205 IonicContact OE2-NE 3.44Å; E82-R205 PolarHBondContact OE2-NE 2.72Å; E82-R205 IonicContact OE2-NH2 3.58Å; E82-R205 PolarHBondContact OE2-NH2 3.05Å
83	E	81.4	Confident	74.6	Confident	119 Å²	119	78.4 Å²	78.4	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-64.9	-42.4	173.4	-77.1	-172.4	171.1	0	0	111.8	R79 E80 K86 G87	R79-E83 WeakPolarHBondContact O-CG 3.48Å; R79-E83 PolarHBondContact O-N 3.06Å; E80-E83 PolarHBondContact O-N 3.4Å; E83-K86 PolarHBondContact O-N 2.9Å; E83-G87 PolarHBondContact O-N 2.95Å
84	H	78.8	Confident	72.6	Confident	130 Å²	130	83.2 Å²	83.2	60%	0.602	46%	0.457	S	S	*	.	H	α-helix	trans	-63.5	-41.6	173.6	-73.1	-54.2	0	0	0	111.9	E80 A81 G87 M88	E80-H84 WeakPolarHBondContact O-CB 3.37Å; E80-H84 PolarHBondContact O-CD2 2.77Å; E80-H84 PolarHBondContact O-N 3.23Å; A81-H84 PolarHBondContact O-N 3.32Å; H84-G87 PolarHBondContact O-N 2.74Å; H84-M88 WeakPolarHBondContact O-CG 3.38Å; H84-M88 PolarHBondContact O-N 2.99Å
85	L	75	Confident	70.3	Confident	15 Å²	15	85 Å²	85	8%	0.079	47%	0.474	C	S	.	.	H	α-helix	trans	-63.1	-44.5	174.2	-73.4	169.6	0	0	0	111.6	A81 E82 G87 M88 E89 A209 R212 A213 I216	A81-L85 WeakPolarHBondContact O-CB 3.44Å; A81-L85 VanDerWaalsContact O-CG 3.22Å; A81-L85 WeakPolarHBondContact O-CG 3.39Å; A81-L85 PolarHBondContact O-N 2.93Å; E82-L85 PolarHBondContact O-N 3.34Å; L85-G87 VanDerWaalsContact C-N 3.26Å; L85-G87 PolarHBondContact O-N 3.1Å; L85-M88 PolarHBondContact O-N 3.03Å; L85-E89 WeakPolarHBondContact O-CG 3.29Å; L85-E89 PolarHBondContact O-N 2.85Å; L85-A209 HydrophobicContact CD1-CB 4.04Å; L85-R212 HydrophobicContact CD1-CB 4.35Å; L85-A213 HydrophobicContact CD2-CB 3.9Å; L85-I216 HydrophobicContact CD2-CD1 3.89Å
86	K	72.2	Confident	68.2	Low	68 Å²	68	92 Å²	92	30%	0.296	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-34.8	172.8	-76.2	169.8	178.5	170.9	0	112.1	E82 E83 K90 D107	E82-K86 WeakPolarHBondContact O-CB 3.47Å; E82-K86 VanDerWaalsContact O-CG 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.43Å; E82-K86 PolarHBondContact O-N 3.35Å; E83-K86 PolarHBondContact O-N 2.9Å; K86-K90 WeakPolarHBondContact O-CG 3.45Å; K86-K90 PolarHBondContact O-N 3.44Å; K86-D107 WeakPolarHBondContact CE-OD1 3.42Å; K86-D107 IonicContact NZ-OD1 3.1Å; K86-D107 PolarHBondContact NZ-OD1 3.02Å
87	G	71	Confident	66.1	Low	42 Å²	42	93.4 Å²	93.4	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-45.4	174.3	0	0	0	0	0	111.9	E83 H84 L85 E89 K90	E83-G87 PolarHBondContact O-N 2.95Å; H84-G87 PolarHBondContact O-N 2.74Å; L85-G87 VanDerWaalsContact C-N 3.26Å; L85-G87 PolarHBondContact O-N 3.1Å; G87-E89 PolarHBondContact O-N 3.11Å; G87-K90 PolarHBondContact O-N 3.43Å
88	M	65.7	Low	64.2	Low	122 Å²	122	95 Å²	95	60%	0.601	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-26.3	175.9	-72	-178.8	82.6	0	0	112.8	H84 L85 I216	H84-M88 WeakPolarHBondContact O-CG 3.38Å; H84-M88 PolarHBondContact O-N 2.99Å; L85-M88 PolarHBondContact O-N 3.03Å; M88-I216 HydrophobicContact CB-CD1 4.31Å; M88-I216 HydrophobicContact CE-CG2 3.61Å
89	E	63.9	Low	62.5	Low	82 Å²	82	99.1 Å²	99.1	38%	0.383	56%	0.559	S	S	.	*	H	α-helix	trans	-75	-21.4	173	-72.2	175.8	176.2	0	0	113.4	L85 G87 C91 I216	L85-E89 WeakPolarHBondContact O-CG 3.29Å; L85-E89 PolarHBondContact O-N 2.85Å; G87-E89 PolarHBondContact O-N 3.11Å; E89-C91 PolarHBondContact O-N 2.7Å; E89-I216 HydrophobicContact CG-CD1 4.35Å
90	K	58.3	Low	60.7	Low	160 Å²	160	99.8 Å²	99.8	70%	0.696	57%	0.565	S	S	*	*			trans	-94	96.1	-180	-69	176.5	-172.7	176.5	0	111	K86 G87 C92	K86-K90 WeakPolarHBondContact O-CG 3.45Å; K86-K90 PolarHBondContact O-N 3.44Å; G87-K90 PolarHBondContact O-N 3.43Å; K90-C92 PolarHBondContact O-N 3.18Å
91	C	50.9	Low	58.7	Low	97 Å²	97	98.4 Å²	98.4	66%	0.655	58%	0.579	S	S	*	*			trans	-71.3	-9.1	-170.4	-163.4	0	0	0	0	116.9	E89 L97	E89-C91 PolarHBondContact O-N 2.7Å; C91-L97 HydrophobicContact CB-CD1 3.86Å
92	C	44.7	Very low	56.8	Low	102 Å²	102	106.3 Å²	106.3	69%	0.689	61%	0.607	S	S	*	*	S	Bend	trans	-176.8	132.5	173.7	-100.7	0	0	0	0	109.9	K90 L94 C95	K90-C92 PolarHBondContact O-N 3.18Å; C92-L94 VanDerWaalsContact C-N 3.28Å; C92-L94 PolarHBondContact O-N 3.41Å; C92-C95 PolarHBondContact O-N 3.26Å
93	G	49.5	Very low	55	Low	87 Å²	87	110.5 Å²	110.5	90%	0.897	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	23.3	-166.7	0	0	0	0	0	122.1
94	L	47.4	Very low	53.2	Low	176 Å²	176	116.5 Å²	116.5	92%	0.921	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.9	-4.5	171.2	-114.2	108.9	0	0	0	115.7	C92	C92-L94 VanDerWaalsContact C-N 3.28Å; C92-L94 PolarHBondContact O-N 3.41Å
95	C	40.2	Very low	51.9	Low	102 Å²	102	113.4 Å²	113.4	69%	0.689	64%	0.64	S	S	*	*			trans	-134.1	121.2	-174.7	-68.6	0	0	0	0	112.4	C92	C92-C95 PolarHBondContact O-N 3.26Å
96	I	42.3	Very low	51.1	Low	161 Å²	161	115.7 Å²	115.7	83%	0.826	67%	0.666	S	S	*	*			trans	-80.4	115	168.6	-63	167.4	0	0	0	107.7
97	L	42.6	Very low	50.6	Low	101 Å²	101	115 Å²	115	53%	0.529	67%	0.666	S	S	.	*			trans	-66.2	125.7	175.1	-87.5	156.9	0	0	0	110.2	C91 C99	C91-L97 HydrophobicContact CB-CD1 3.86Å; L97-C99 PolarHBondContact O-N 2.92Å
98	P	47.8	Very low	50.5	Low	120 Å²	120	114.8 Å²	114.8	78%	0.779	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-68.4	1.9	-175	22.2	-28.6	0	0	0	115.1
99	C	49.1	Very low	50.7	Low	107 Å²	107	112.3 Å²	112.3	72%	0.723	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-87.9	-7.2	-175.4	-33.2	0	0	0	0	114.6	L97	L97-C99 PolarHBondContact O-N 2.92Å
100	F	46.6	Very low	51	Low	141 Å²	141	115.8 Å²	115.8	62%	0.618	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-110.4	18.3	178.8	-86.7	-83.3	0	0	0	113.5	F102 L103	F100-F102 PolarHBondContact O-N 2.86Å; F100-L103 PolarHBondContact O-N 3.45Å
101	G	41.3	Very low	51.6	Low	75 Å²	75	110.7 Å²	110.7	77%	0.773	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	6.2	-173.8	0	0	0	0	0	117.2
102	F	45	Very low	52.7	Low	204 Å²	204	110.7 Å²	110.7	90%	0.895	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	-0.7	-173.7	-137.8	-93.5	0	0	0	115.1	F100	F100-F102 PolarHBondContact O-N 2.86Å
103	L	41.1	Very low	54	Low	109 Å²	109	111.8 Å²	111.8	57%	0.571	63%	0.628	S	S	*	*			trans	-121.1	48	180	-81.7	149.8	0	0	0	111.5	F100 S105	F100-L103 PolarHBondContact O-N 3.45Å; L103-S105 PolarHBondContact O-N 3.05Å; L103-S105 VanDerWaalsContact O-N 3.12Å
104	R	43.7	Very low	55.4	Low	246 Å²	246	108.5 Å²	108.5	93%	0.928	59%	0.589	S	S	*	*			trans	-78.4	77.5	155	-90.3	-175.6	164.1	160.9	-4	108
105	S	52	Low	56.7	Low	65 Å²	65	101.9 Å²	101.9	46%	0.455	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-74.6	123.8	155.1	-42.5	0	0	0	0	106.1	L103 R212	L103-S105 PolarHBondContact O-N 3.05Å; L103-S105 VanDerWaalsContact O-N 3.12Å; S105-R212 PolarHBondContact OG-NH2 2.9Å
106	G	57.6	Low	58.4	Low	62 Å²	62	101.6 Å²	101.6	64%	0.639	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-51.9	150.3	177	0	0	0	0	0	111.2	F108	G106-F108 PolarHBondContact O-N 3.3Å
107	D	62.8	Low	60.1	Low	55 Å²	55	95.6 Å²	95.6	29%	0.294	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-49.6	128.1	172.7	-56.6	-55.2	0	0	0	108.9	K86 E109 K110	K86-D107 WeakPolarHBondContact CE-OD1 3.42Å; K86-D107 IonicContact NZ-OD1 3.1Å; K86-D107 PolarHBondContact NZ-OD1 3.02Å; D107-E109 PolarHBondContact O-N 3.4Å; D107-E109 VanDerWaalsContact O-N 3.09Å; D107-K110 HydrophobicContact CB-CD 4.11Å; D107-K110 HydrophobicContact CB-CG 4.16Å; D107-K110 WeakPolarHBondContact O-CB 3.48Å; D107-K110 PolarHBondContact O-N 3.13Å; D107-K110 WeakPolarHBondContact OD2-CE 3.34Å; D107-K110 IonicContact OD2-NZ 2.52Å; D107-K110 PolarHBondContact OD2-NZ 2.97Å
108	F	68.9	Low	62	Low	36 Å²	36	92.7 Å²	92.7	16%	0.158	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-55.1	-32	-177.6	-170.7	-97.3	0	0	0	111.2	G106 K110 N111 Y114 E204 R205	G106-F108 PolarHBondContact O-N 3.3Å; F108-K110 PolarHBondContact O-N 3.4Å; F108-K110 VanDerWaalsContact O-N 3.16Å; F108-N111 VanDerWaalsContact O-CB 3.3Å; F108-N111 WeakPolarHBondContact O-CB 3.22Å; F108-N111 PolarHBondContact O-N 2.84Å; F108-Y114 AromaticContact CD1-CD2 3.7Å; F108-Y114 HydrophobicContact CD1-CD2 3.7Å; F108-Y114 HydrophobicContact CD1-CE2 4.25Å; F108-Y114 AromaticContact CE1-CD2 3.84Å; F108-Y114 HydrophobicContact CE1-CD2 3.84Å; F108-E204 HydrophobicContact CE2-CG 4.39Å; F108-R205 HydrophobicContact CD1-CG 4.18Å; F108-R205 HydrophobicContact CE1-CB 4.37Å; F108-R205 HydrophobicContact CE1-CG 4.46Å; F108-R205 HydrophobicContact CG-CG 4.3Å; F108-R205 HydrophobicContact CZ-CB 4.44Å
109	E	69.6	Low	63	Low	70 Å²	70	93.3 Å²	93.3	33%	0.327	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-63.8	-15	174.9	-58.1	-174.6	174.2	0	0	115.1	R79 D107 Y114 R205	R79-E109 VanDerWaalsContact CD-OE1 3.22Å; R79-E109 WeakPolarHBondContact CD-OE1 3.49Å; D107-E109 PolarHBondContact O-N 3.4Å; D107-E109 VanDerWaalsContact O-N 3.09Å; E109-Y114 HydrophobicContact CB-CD1 4.07Å; E109-Y114 HydrophobicContact CB-CE1 3.96Å; E109-Y114 HydrophobicContact CG-CD1 4.35Å; E109-Y114 HydrophobicContact CG-CE1 3.83Å; E109-Y114 HydrophobicContact CG-CE2 4.3Å; E109-R205 IonicContact OE1-NH2 2.72Å
110	K	70.5	Confident	63.7	Low	155 Å²	155	94.4 Å²	94.4	67%	0.674	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-88.1	-6	174.8	-69.1	174.7	176.2	155.8	0	112.9	D107 F108	D107-K110 HydrophobicContact CB-CD 4.11Å; D107-K110 HydrophobicContact CB-CG 4.16Å; D107-K110 WeakPolarHBondContact O-CB 3.48Å; D107-K110 PolarHBondContact O-N 3.13Å; D107-K110 WeakPolarHBondContact OD2-CE 3.34Å; D107-K110 IonicContact OD2-NZ 2.52Å; D107-K110 PolarHBondContact OD2-NZ 2.97Å; F108-K110 PolarHBondContact O-N 3.4Å; F108-K110 VanDerWaalsContact O-N 3.16Å
111	N	71.2	Confident	64.1	Low	53 Å²	53	94 Å²	94	28%	0.283	49%	0.492	S	S	.	.	S	Bend	trans	-68.2	127.6	173.3	-173.7	-1.8	0	0	0	109.1	F108 E113 Y114	F108-N111 VanDerWaalsContact O-CB 3.3Å; F108-N111 WeakPolarHBondContact O-CB 3.22Å; F108-N111 PolarHBondContact O-N 2.84Å; N111-E113 PolarHBondContact ND2-OE2 3.38Å; N111-E113 PolarHBondContact O-N 3.47Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-E113 PolarHBondContact OD1-N 3.24Å; N111-Y114 WeakPolarHBondContact O-CB 3.14Å; N111-Y114 PolarHBondContact O-N 2.9Å
112	P	72.6	Confident	64.6	Low	98 Å²	98	94.2 Å²	94.2	64%	0.636	48%	0.475	S	S	*	.	H	α-helix	trans	-49.4	-34.7	173.4	-28	32.5	0	0	0	113.8	Y114 A115 N116	P112-Y114 VanDerWaalsContact C-N 3.33Å; P112-Y114 PolarHBondContact O-N 2.63Å; P112-A115 PolarHBondContact O-N 3.28Å; P112-N116 PolarHBondContact O-N 3.42Å
113	E	71.9	Confident	64.7	Low	124 Å²	124	91.3 Å²	91.3	58%	0.579	47%	0.469	S	S	*	.	H	α-helix	trans	-67.3	-31.1	178.6	-66.7	172.2	159.2	0	0	112.9	N111 N116 T117	N111-E113 PolarHBondContact ND2-OE2 3.38Å; N111-E113 PolarHBondContact O-N 3.47Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-E113 PolarHBondContact OD1-N 3.24Å; E113-N116 PolarHBondContact O-N 2.71Å; E113-T117 PolarHBondContact O-N 3.03Å; E113-T117 VanDerWaalsContact O-N 3.14Å; E113-T117 PolarHBondContact O-OG1 3.05Å
114	Y	79	Confident	65	Low	19 Å²	19	89.3 Å²	89.3	8%	0.075	48%	0.475	C	S	.	.	H	α-helix	trans	-65.1	-41.2	176.6	-179.4	-91.3	0	0	0	111.5	N75 F108 E109 N111 P112 N116 T117 W118	N75-Y114 PolarHBondContact ND2-OH 3.27Å; F108-Y114 AromaticContact CD1-CD2 3.7Å; F108-Y114 HydrophobicContact CD1-CD2 3.7Å; F108-Y114 HydrophobicContact CD1-CE2 4.25Å; F108-Y114 AromaticContact CE1-CD2 3.84Å; F108-Y114 HydrophobicContact CE1-CD2 3.84Å; E109-Y114 HydrophobicContact CB-CD1 4.07Å; E109-Y114 HydrophobicContact CB-CE1 3.96Å; E109-Y114 HydrophobicContact CG-CD1 4.35Å; E109-Y114 HydrophobicContact CG-CE1 3.83Å; E109-Y114 HydrophobicContact CG-CE2 4.3Å; N111-Y114 WeakPolarHBondContact O-CB 3.14Å; N111-Y114 PolarHBondContact O-N 2.9Å; P112-Y114 VanDerWaalsContact C-N 3.33Å; P112-Y114 PolarHBondContact O-N 2.63Å; Y114-N116 VanDerWaalsContact C-N 3.28Å; Y114-N116 PolarHBondContact O-N 3.37Å; Y114-T117 PolarHBondContact O-N 3.26Å; Y114-T117 PolarHBondContact O-OG1 2.86Å; Y114-W118 AromaticContact CD2-CD1 3.34Å; Y114-W118 HydrophobicContact CD2-CG 4.14Å; Y114-W118 AromaticContact CD2-NE1 3.89Å; Y114-W118 HydrophobicContact CE1-CB 4.11Å; Y114-W118 HydrophobicContact CE1-CG 4.49Å; Y114-W118 HydrophobicContact CE2-CB 4.25Å; Y114-W118 AromaticContact CE2-CD1 3.34Å; Y114-W118 HydrophobicContact CE2-CD2 4.45Å; Y114-W118 AromaticContact CE2-CG 3.77Å; Y114-W118 HydrophobicContact CE2-CG 3.77Å; Y114-W118 AromaticContact CE2-NE1 3.81Å; Y114-W118 AromaticContact CG-CD1 3.96Å; Y114-W118 AromaticContact CZ-CD1 3.95Å; Y114-W118 AromaticContact CZ-CG 3.95Å; Y114-W118 WeakPolarHBondContact O-CB 3.32Å; Y114-W118 PolarHBondContact O-N 2.82Å
115	A	74.7	Confident	65.2	Low	37 Å²	37	79.4 Å²	79.4	31%	0.306	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-38.1	176.6	0	0	0	0	0	111.2	P112 T117 K119 K120	P112-A115 PolarHBondContact O-N 3.28Å; A115-T117 PolarHBondContact O-N 2.88Å; A115-K119 HydrophobicContact CB-CD 4.27Å; A115-K119 CarbonylContact O-C 3.37Å; A115-K119 WeakPolarHBondContact O-CA 3.42Å; A115-K119 VanDerWaalsContact O-CB 3.3Å; A115-K119 WeakPolarHBondContact O-CB 3.5Å; A115-K119 PolarHBondContact O-N 3.41Å; A115-K120 PolarHBondContact O-N 2.88Å
116	N	75.5	Confident	65.2	Low	96 Å²	96	82.7 Å²	82.7	51%	0.513	47%	0.466	S	S	.	.	H	α-helix	trans	-67.5	-33.2	178.2	-74.5	-17.7	0	0	0	113.5	P112 E113 Y114	P112-N116 PolarHBondContact O-N 3.42Å; E113-N116 PolarHBondContact O-N 2.71Å; Y114-N116 VanDerWaalsContact C-N 3.28Å; Y114-N116 PolarHBondContact O-N 3.37Å
117	T	79.4	Confident	64.8	Low	34 Å²	34	81.2 Å²	81.2	21%	0.209	44%	0.443	C	S	.	.	H	α-helix	trans	-91.5	-33.2	-176.5	48.6	0	0	0	0	113.9	E113 Y114 A115 Q197	E113-T117 PolarHBondContact O-N 3.03Å; E113-T117 VanDerWaalsContact O-N 3.14Å; E113-T117 PolarHBondContact O-OG1 3.05Å; Y114-T117 PolarHBondContact O-N 3.26Å; Y114-T117 PolarHBondContact O-OG1 2.86Å; A115-T117 PolarHBondContact O-N 2.88Å; T117-Q197 HydrophobicContact CG2-CB 4.07Å
118	W	81.7	Confident	64.4	Low	40 Å²	40	83.3 Å²	83.3	15%	0.152	47%	0.468	C	S	.	.	H	α-helix	trans	-114.9	-16	-172.7	-61.9	94.7	0	0	0	115	L71 D72 N75 Y114 K198 S201 N202	L71-W118 WeakPolarHBondContact O-CH2 3.32Å; D72-W118 WeakPolarHBondContact OD1-CZ3 3.17Å; N75-W118 HydrophobicContact CB-CD2 4.46Å; N75-W118 HydrophobicContact CB-CE3 4.04Å; N75-W118 HydrophobicContact CB-CH2 3.41Å; N75-W118 VanDerWaalsContact CB-CH2 3.41Å; N75-W118 HydrophobicContact CB-CZ2 3.86Å; N75-W118 HydrophobicContact CB-CZ3 3.49Å; N75-W118 VanDerWaalsContact CB-CZ3 3.49Å; N75-W118 VanDerWaalsContact ND2-CE3 3.31Å; Y114-W118 AromaticContact CD2-CD1 3.34Å; Y114-W118 HydrophobicContact CD2-CG 4.14Å; Y114-W118 AromaticContact CD2-NE1 3.89Å; Y114-W118 HydrophobicContact CE1-CB 4.11Å; Y114-W118 HydrophobicContact CE1-CG 4.49Å; Y114-W118 HydrophobicContact CE2-CB 4.25Å; Y114-W118 AromaticContact CE2-CD1 3.34Å; Y114-W118 HydrophobicContact CE2-CD2 4.45Å; Y114-W118 AromaticContact CE2-CG 3.77Å; Y114-W118 HydrophobicContact CE2-CG 3.77Å; Y114-W118 AromaticContact CE2-NE1 3.81Å; Y114-W118 AromaticContact CG-CD1 3.96Å; Y114-W118 AromaticContact CZ-CD1 3.95Å; Y114-W118 AromaticContact CZ-CG 3.95Å; Y114-W118 WeakPolarHBondContact O-CB 3.32Å; Y114-W118 PolarHBondContact O-N 2.82Å; W118-K198 HydrophobicContact CE3-CD 4.38Å; W118-K198 HydrophobicContact CE3-CG 4.27Å; W118-K198 HydrophobicContact CH2-CB 3.77Å; W118-K198 HydrophobicContact CH2-CD 4.13Å; W118-K198 HydrophobicContact CH2-CG 3.81Å; W118-K198 HydrophobicContact CZ2-CB 3.96Å; W118-K198 HydrophobicContact CZ2-CG 4.08Å; W118-K198 HydrophobicContact CZ3-CB 4.38Å; W118-K198 HydrophobicContact CZ3-CD 3.89Å; W118-K198 HydrophobicContact CZ3-CG 3.93Å; W118-S201 PolarHBondContact NE1-OG 3.28Å; W118-N202 VanDerWaalsContact CZ2-OD1 3.3Å; W118-N202 WeakPolarHBondContact CZ2-OD1 3.41Å
119	K	69.5	Low	63.7	Low	134 Å²	134	89.1 Å²	89.1	58%	0.583	50%	0.501	S	S	*	.	S	Bend	trans	-114.4	3.2	-179.6	-57.8	-173.7	176.5	-177.9	0	113.7	A115 D121	A115-K119 HydrophobicContact CB-CD 4.27Å; A115-K119 CarbonylContact O-C 3.37Å; A115-K119 WeakPolarHBondContact O-CA 3.42Å; A115-K119 VanDerWaalsContact O-CB 3.3Å; A115-K119 WeakPolarHBondContact O-CB 3.5Å; A115-K119 PolarHBondContact O-N 3.41Å; K119-D121 PolarHBondContact O-N 3.02Å; K119-D121 VanDerWaalsContact O-N 3.13Å
120	K	63.6	Low	62.5	Low	129 Å²	129	89.5 Å²	89.5	56%	0.561	50%	0.503	S	S	*	.			trans	-76.9	98.3	168.5	-95.2	-170.3	169.1	-169.4	0	108.3	A115 D122	A115-K120 PolarHBondContact O-N 2.88Å; K120-D122 PolarHBondContact O-N 3.4Å
121	D	54.2	Low	61.3	Low	134 Å²	134	86.1 Å²	86.1	72%	0.717	50%	0.497	S	S	*	.			trans	-69.1	78	155.5	-57.1	-33.7	0	0	0	106.1	K119 D123	K119-D121 PolarHBondContact O-N 3.02Å; K119-D121 VanDerWaalsContact O-N 3.13Å; D121-D123 PolarHBondContact O-N 3.03Å
122	D	53.5	Low	59.9	Low	78 Å²	78	94.7 Å²	94.7	42%	0.417	53%	0.525	S	S	.	.			trans	-74.6	67	165.9	-102.2	22.9	0	0	0	106.5	K120 G124 R190	K120-D122 PolarHBondContact O-N 3.4Å; D122-G124 PolarHBondContact O-N 3.22Å; D122-R190 IonicContact OD2-NH2 2.97Å; D122-R190 PolarHBondContact OD2-NH2 3.47Å
123	D	45.3	Very low	58.5	Low	143 Å²	143	92.8 Å²	92.8	77%	0.765	51%	0.509	S	S	*	.			trans	-58.4	105.9	171.8	-76.8	-27.7	0	0	0	107.9	D121 G125	D121-D123 PolarHBondContact O-N 3.03Å; D123-G125 VanDerWaalsContact C-N 3.3Å; D123-G125 PolarHBondContact O-N 3.13Å
124	G	48.2	Very low	57.1	Low	68 Å²	68	92.1 Å²	92.1	70%	0.701	51%	0.514	S	S	*	.			trans	46.1	44.8	156.1	0	0	0	0	0	116	D122 V126	D122-G124 PolarHBondContact O-N 3.22Å; G124-V126 PolarHBondContact O-N 3.44Å
125	G	47.3	Very low	55.2	Low	38 Å²	38	97.1 Å²	97.1	39%	0.392	55%	0.546	S	S	.	.			trans	-54.2	100.7	178	0	0	0	0	0	110.5	D123 I127 R190	D123-G125 VanDerWaalsContact C-N 3.3Å; D123-G125 PolarHBondContact O-N 3.13Å; G125-I127 PolarHBondContact O-N 3.32Å; G125-R190 PolarHBondContact O-NH1 3.05Å
126	V	51.5	Low	53.3	Low	133 Å²	133	97.7 Å²	97.7	81%	0.806	56%	0.555	S	S	*	*			trans	-51.1	128.6	-174	-177.7	0	0	0	0	108.6	G124 A128	G124-V126 PolarHBondContact O-N 3.44Å; V126-A128 VanDerWaalsContact C-N 3.35Å; V126-A128 PolarHBondContact O-N 2.89Å
127	I	49.3	Very low	51.5	Low	31 Å²	31	98 Å²	98	16%	0.159	56%	0.557	C	S	.	*			trans	-65.4	97.8	179.3	-57.8	163.7	0	0	0	107.4	G125 D129 Q130 T183 Y186	G125-I127 PolarHBondContact O-N 3.32Å; I127-D129 PolarHBondContact O-N 3.46Å; I127-Q130 HydrophobicContact CB-CG 4.07Å; I127-Q130 HydrophobicContact CD1-CG 4.46Å; I127-Q130 HydrophobicContact CG2-CB 4.36Å; I127-Q130 HydrophobicContact CG2-CG 3.89Å; I127-Q130 PolarHBondContact O-N 3.43Å; I127-T183 HydrophobicContact CD1-CG2 3.59Å; I127-Y186 HydrophobicContact CD1-CD1 3.74Å; I127-Y186 HydrophobicContact CD1-CE1 4.37Å; I127-Y186 HydrophobicContact CD1-CG 4.3Å; I127-Y186 HydrophobicContact CG1-CD1 3.56Å; I127-Y186 HydrophobicContact CG1-CE1 3.67Å; I127-Y186 HydrophobicContact CG1-CG 4.37Å
128	A	54.8	Low	49.6	Very low	100 Å²	100	103 Å²	103	83%	0.826	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-16.8	-178.2	0	0	0	0	0	112.9	V126	V126-A128 VanDerWaalsContact C-N 3.35Å; V126-A128 PolarHBondContact O-N 2.89Å
129	D	53.8	Low	47.7	Very low	157 Å²	157	103 Å²	103	84%	0.84	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	16.1	179.9	-87.4	-20.2	0	0	0	114.1	I127	I127-D129 PolarHBondContact O-N 3.46Å
130	Q	45.6	Very low	46.4	Very low	78 Å²	78	99.8 Å²	99.8	36%	0.364	60%	0.601	S	S	.	*	S	Bend	trans	-68.2	133.7	163.5	-94.2	-177.4	8.7	0	0	108.6	I127 R132 T183	I127-Q130 HydrophobicContact CB-CG 4.07Å; I127-Q130 HydrophobicContact CD1-CG 4.46Å; I127-Q130 HydrophobicContact CG2-CB 4.36Å; I127-Q130 HydrophobicContact CG2-CG 3.89Å; I127-Q130 PolarHBondContact O-N 3.43Å; Q130-R132 PolarHBondContact O-N 3.47Å; Q130-T183 PolarHBondContact NE2-OG1 3.01Å
131	P	45.4	Very low	45.3	Very low	85 Å²	85	99.1 Å²	99.1	55%	0.552	61%	0.607	S	S	*	*			trans	-59.3	107.3	168.2	21.2	-24.5	0	0	0	106.6	I133	P131-I133 VanDerWaalsContact C-N 3.31Å; P131-I133 PolarHBondContact O-N 3.06Å
132	R	42	Very low	45	Very low	233 Å²	233	94.6 Å²	94.6	88%	0.879	59%	0.592	S	S	*	*			trans	-50.3	96.1	-175.4	-153.7	-179	-160.8	-153.3	5.7	108.1	Q130 T134	Q130-R132 PolarHBondContact O-N 3.47Å; R132-T134 PolarHBondContact O-N 2.98Å
133	I	42.1	Very low	44.8	Very low	58 Å²	58	94.1 Å²	94.1	30%	0.297	59%	0.594	S	S	.	*			trans	-74.4	97.3	162.7	-68.2	-161.1	0	0	0	103	P131 V135 R175 I179	P131-I133 VanDerWaalsContact C-N 3.31Å; P131-I133 PolarHBondContact O-N 3.06Å; I133-V135 VanDerWaalsContact C-N 3.33Å; I133-V135 PolarHBondContact O-N 3.41Å; I133-R175 HydrophobicContact CD1-CG 4.28Å; I133-I179 HydrophobicContact CD1-CD1 3.02Å; I133-I179 HydrophobicContact CD1-CG1 4.49Å; I133-I179 HydrophobicContact CG1-CD1 3.64Å
134	T	42.3	Very low	45.1	Very low	110 Å²	110	93 Å²	93	68%	0.675	60%	0.597	S	S	*	*			trans	-47.5	114.1	145.9	44.4	0	0	0	0	105.1	R132 G136	R132-T134 PolarHBondContact O-N 2.98Å; T134-G136 PolarHBondContact O-N 3.31Å
135	V	40	Very low	45.4	Very low	123 Å²	123	94.3 Å²	94.3	75%	0.745	60%	0.595	S	S	*	*			trans	-56.9	82.3	152	-176.7	0	0	0	0	103.4	I133 D137	I133-V135 VanDerWaalsContact C-N 3.33Å; I133-V135 PolarHBondContact O-N 3.41Å; V135-D137 PolarHBondContact O-N 3Å
136	G	34.8	Very low	46.3	Very low	49 Å²	49	93.7 Å²	93.7	51%	0.505	59%	0.589	S	S	.	*			trans	-60.6	102.9	159.3	0	0	0	0	0	101.3	T134	T134-G136 PolarHBondContact O-N 3.31Å
137	D	36.4	Very low	47.4	Very low	104 Å²	104	90.8 Å²	90.8	56%	0.556	56%	0.564	S	S	*	*			trans	10.4	124.7	163.2	-166.8	5.5	0	0	0	113.4	V135 G139 A140	V135-D137 PolarHBondContact O-N 3Å; D137-G139 CarbonylContact O-C 3.4Å; D137-G139 PolarHBondContact O-N 3.23Å; D137-G139 PolarHBondContact OD1-N 3.24Å; D137-A140 HydrophobicContact CB-CB 4.22Å; D137-A140 WeakPolarHBondContact O-CB 3.36Å; D137-A140 PolarHBondContact O-N 2.85Å
138	P	39.7	Very low	48.6	Very low	138 Å²	138	90.7 Å²	90.7	90%	0.896	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-10.3	161.1	-21.9	32.9	0	0	0	112.8
139	G	42.3	Very low	49.6	Very low	40 Å²	40	91.4 Å²	91.4	41%	0.412	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	20.2	164.4	0	0	0	0	0	117.6	D137 V141	D137-G139 CarbonylContact O-C 3.4Å; D137-G139 PolarHBondContact O-N 3.23Å; D137-G139 PolarHBondContact OD1-N 3.24Å; G139-V141 WeakPolarHBondContact O-CG2 3.33Å; G139-V141 PolarHBondContact O-N 3.08Å
140	A	41.6	Very low	50.6	Low	66 Å²	66	89.3 Å²	89.3	55%	0.545	54%	0.538	S	S	.	.			trans	-69.2	88.9	172.6	0	0	0	0	0	108.1	D137 G142	D137-A140 HydrophobicContact CB-CB 4.22Å; D137-A140 WeakPolarHBondContact O-CB 3.36Å; D137-A140 PolarHBondContact O-N 2.85Å; A140-G142 VanDerWaalsContact C-N 3.34Å; A140-G142 PolarHBondContact O-N 3.36Å
141	V	40.3	Very low	51.9	Low	116 Å²	116	92.1 Å²	92.1	70%	0.703	55%	0.554	S	S	*	*			trans	-39.5	96.1	175.2	-175.5	0	0	0	0	108.2	G139	G139-V141 WeakPolarHBondContact O-CG2 3.33Å; G139-V141 PolarHBondContact O-N 3.08Å
142	G	48.2	Very low	53.3	Low	39 Å²	39	91 Å²	91	40%	0.402	55%	0.546	S	S	.	.			trans	-47.4	142.6	159	0	0	0	0	0	106.4	A140 S144	A140-G142 VanDerWaalsContact C-N 3.34Å; A140-G142 PolarHBondContact O-N 3.36Å; G142-S144 PolarHBondContact O-N 3.04Å
143	P	48.9	Very low	54.9	Low	68 Å²	68	85.4 Å²	85.4	44%	0.442	53%	0.533	S	S	.	.			trans	-48.9	113.2	-161.1	27.7	-36.7	0	0	0	107.5	S145 Y147	P143-S145 CarbonylContact C-O 3.6Å; P143-S145 VanDerWaalsContact C-O 3.28Å; P143-S145 WeakPolarHBondContact CB-O 3.48Å; P143-S145 CarbonylContact O-C 3.51Å; P143-S145 PolarHBondContact O-N 2.87Å; P143-Y147 HydrophobicContact CG-CD1 4.37Å; P143-Y147 HydrophobicContact CG-CE1 4.29Å
144	S	51.5	Low	56.7	Low	119 Å²	119	84.3 Å²	84.3	83%	0.832	53%	0.528	S	S	*	.	S	Bend	trans	-61.9	-15.7	-174	48.4	0	0	0	0	111	G142	G142-S144 PolarHBondContact O-N 3.04Å
145	S	55.1	Low	58.8	Low	95 Å²	95	82.8 Å²	82.8	66%	0.664	53%	0.526	S	S	*	.	S	Bend	trans	-94	115.9	157.1	175.5	0	0	0	0	108.4	P143	P143-S145 CarbonylContact C-O 3.6Å; P143-S145 VanDerWaalsContact C-O 3.28Å; P143-S145 WeakPolarHBondContact CB-O 3.48Å; P143-S145 CarbonylContact O-C 3.51Å; P143-S145 PolarHBondContact O-N 2.87Å
146	G	65.9	Low	61	Low	26 Å²	26	80.1 Å²	80.1	27%	0.268	50%	0.503	S	S	.	.			trans	-42.3	160.4	-178.5	0	0	0	0	0	116.4	I148 D161	G146-I148 PolarHBondContact O-N 3.17Å; G146-D161 VanDerWaalsContact CA-OD1 3.26Å; G146-D161 WeakPolarHBondContact CA-OD1 3.46Å; G146-D161 WeakPolarHBondContact CA-OD2 3.47Å
147	Y	75.3	Confident	63.4	Low	72 Å²	72	78 Å²	78	28%	0.282	48%	0.48	S	S	.	.	S	Bend	trans	-57.8	-21.8	-175.9	-65.2	-88.7	0	0	0	114	P143 D161 I164 Q165 S168	P143-Y147 HydrophobicContact CG-CD1 4.37Å; P143-Y147 HydrophobicContact CG-CE1 4.29Å; Y147-D161 PolarHBondContact N-OD1 3.3Å; Y147-I164 HydrophobicContact CD1-CG2 3.59Å; Y147-I164 HydrophobicContact CD2-CB 4.33Å; Y147-I164 HydrophobicContact CD2-CG2 4.02Å; Y147-I164 HydrophobicContact CE1-CG2 4.31Å; Y147-I164 HydrophobicContact CG-CB 4.1Å; Y147-I164 HydrophobicContact CG-CG2 3.43Å; Y147-I164 VanDerWaalsContact CG-CG2 3.43Å; Y147-Q165 HydrophobicContact CD2-CB 4.03Å; Y147-Q165 HydrophobicContact CE2-CB 3.51Å; Y147-Q165 VanDerWaalsContact CE2-CD 3.45Å; Y147-Q165 HydrophobicContact CE2-CG 4.02Å; Y147-Q165 PolarHBondContact OH-NE2 3.36Å; Y147-Q165 PolarHBondContact OH-OE1 2.94Å; Y147-S168 VanDerWaalsContact OH-CB 3.3Å; Y147-S168 WeakPolarHBondContact OH-CB 3.23Å; Y147-S168 PolarHBondContact OH-OG 3.46Å
148	I	74.6	Confident	65.8	Low	29 Å²	29	76.5 Å²	76.5	15%	0.149	47%	0.472	C	S	.	.	S	Bend	trans	-110	130	-179.6	-65.8	169.6	0	0	0	109.4	G146 R150 M160 I164	G146-I148 PolarHBondContact O-N 3.17Å; I148-R150 PolarHBondContact O-N 3.34Å; I148-R150 VanDerWaalsContact O-N 3.07Å; I148-M160 VanDerWaalsContact CD1-C 3.45Å; I148-M160 HydrophobicContact CD1-CB 3.09Å; I148-M160 HydrophobicContact CD1-CE 4.47Å; I148-M160 HydrophobicContact CD1-CG 4.23Å; I148-M160 HydrophobicContact CD1-SD 4.34Å; I148-I164 HydrophobicContact CD1-CD1 3.74Å; I148-I164 HydrophobicContact CG1-CD1 3.83Å
149	T	75.1	Confident	68.1	Low	115 Å²	115	72.6 Å²	72.6	71%	0.706	44%	0.442	S	S	*	.			trans	-63.2	109.1	166.6	51.1	0	0	0	0	108.4	I151	T149-I151 PolarHBondContact O-N 3.47Å
150	R	75.7	Confident	70.3	Confident	113 Å²	113	71.1 Å²	71.1	43%	0.426	42%	0.424	S	S	.	.			trans	-69.4	113.6	180	-66.6	167.3	176	-95.6	-8.2	109.9	I148 N153 E157 D158 D161	I148-R150 PolarHBondContact O-N 3.34Å; I148-R150 VanDerWaalsContact O-N 3.07Å; R150-N153 WeakPolarHBondContact CB-OD1 3.28Å; R150-N153 WeakPolarHBondContact CD-OD1 3.48Å; R150-E157 VanDerWaalsContact CA-OE2 3.31Å; R150-E157 WeakPolarHBondContact CA-OE2 3.45Å; R150-D158 IonicContact CZ-OD1 3.37Å; R150-D158 VanDerWaalsContact CZ-OD1 3.29Å; R150-D158 IonicContact NH1-OD1 3.82Å; R150-D158 PolarHBondContact NH1-OD1 3.25Å; R150-D158 IonicContact NH2-OD1 2.75Å; R150-D158 PolarHBondContact NH2-OD1 3.29Å; R150-D158 VanDerWaalsContact NH2-OD1 3.09Å; R150-D161 IonicContact CZ-OD2 3.51Å; R150-D161 IonicContact NE-OD2 3.56Å; R150-D161 IonicContact NH2-OD2 2.74Å; R150-D161 PolarHBondContact NH2-OD2 3.11Å
151	I	72.1	Confident	72.5	Confident	137 Å²	137	68.9 Å²	68.9	70%	0.703	40%	0.403	S	S	*	.	S	Bend	trans	-104.6	-48.2	178.4	-59.3	174.7	0	0	0	109.4	T149 E157	T149-I151 PolarHBondContact O-N 3.47Å; I151-E157 PolarHBondContact N-OE1 2.72Å; I151-E157 PolarHBondContact N-OE2 2.91Å; I151-E157 VanDerWaalsContact N-OE2 3.07Å
152	T	75	Confident	74.8	Confident	60 Å²	60	68.9 Å²	68.9	37%	0.368	40%	0.395	S	S	.	.	S	Bend	trans	-94.8	-20.2	-177.1	60.5	0	0	0	0	113.4	D154 E157	T152-D154 PolarHBondContact O-N 2.84Å; T152-D154 PolarHBondContact OG1-OD2 3.48Å; T152-E157 VanDerWaalsContact N-CD 3.33Å; T152-E157 PolarHBondContact N-OE1 2.83Å; T152-E157 PolarHBondContact N-OE2 2.8Å; T152-E157 VanDerWaalsContact N-OE2 3.1Å; T152-E157 PolarHBondContact OG1-OE1 2.63Å; T152-E157 PolarHBondContact OG1-OE2 3.33Å
153	N	75.3	Confident	76.8	Confident	116 Å²	116	67.6 Å²	67.6	62%	0.62	38%	0.379	S	S	*	.			trans	50.6	39.9	-171.6	-92.1	-26.5	0	0	0	111.8	R150 E157	R150-N153 WeakPolarHBondContact CB-OD1 3.28Å; R150-N153 WeakPolarHBondContact CD-OD1 3.48Å; N153-E157 PolarHBondContact N-OE2 3.12Å
154	D	81.1	Confident	78.8	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.193	37%	0.37	C	S	.	.			trans	-99.9	166.4	175.7	72.5	32.2	0	0	0	112.1	T152 R156 E157 D158	T152-D154 PolarHBondContact O-N 2.84Å; T152-D154 PolarHBondContact OG1-OD2 3.48Å; D154-R156 PolarHBondContact O-N 3.49Å; D154-R156 VanDerWaalsContact O-N 3.08Å; D154-R156 WeakPolarHBondContact OD1-CA 3.23Å; D154-R156 VanDerWaalsContact OD1-CB 3.22Å; D154-R156 WeakPolarHBondContact OD1-CB 3.46Å; D154-R156 PolarHBondContact OD1-N 3.37Å; D154-R156 IonicContact OD1-NE 3.1Å; D154-R156 IonicContact OD2-CZ 3.88Å; D154-R156 IonicContact OD2-NE 3.29Å; D154-R156 PolarHBondContact OD2-NE 3.13Å; D154-R156 VanDerWaalsContact OD2-NE 3.11Å; D154-R156 IonicContact OD2-NH2 3.73Å; D154-R156 PolarHBondContact OD2-NH2 3.13Å; D154-E157 PolarHBondContact O-N 3.22Å; D154-E157 VanDerWaalsContact O-N 3.13Å; D154-E157 PolarHBondContact OD1-N 2.89Å; D154-D158 PolarHBondContact O-N 2.93Å
155	A	85.2	Confident	80.5	Confident	77 Å²	77	64.1 Å²	64.1	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-62.7	-16.6	-178.1	0	0	0	0	0	113.9	E159	A155-E159 PolarHBondContact O-N 3.35Å; A155-E159 VanDerWaalsContact O-N 3.11Å
156	R	85.8	Confident	82	Confident	67 Å²	67	63.4 Å²	63.4	25%	0.253	33%	0.331	S	S	.	.	H	α-helix	trans	-77.9	-42.1	176.7	-56.5	173.3	-72.8	-173.4	1.3	109.9	A26 T29 D30 L33 D154 D158 E159 M160	A26-R156 PolarHBondContact O-NH1 3.38Å; T29-R156 PolarHBondContact OG1-NH1 2.98Å; T29-R156 PolarHBondContact OG1-NH2 2.93Å; D30-R156 WeakPolarHBondContact OD1-CD 2.95Å; D30-R156 IonicContact OD1-CZ 3.39Å; D30-R156 IonicContact OD1-NE 3.72Å; D30-R156 IonicContact OD1-NH1 2.95Å; D30-R156 PolarHBondContact OD1-NH1 2.85Å; D30-R156 IonicContact OD2-NH1 2.9Å; L33-R156 HydrophobicContact CD2-CB 4.27Å; L33-R156 HydrophobicContact CD2-CG 4.32Å; D154-R156 PolarHBondContact O-N 3.49Å; D154-R156 VanDerWaalsContact O-N 3.08Å; D154-R156 WeakPolarHBondContact OD1-CA 3.23Å; D154-R156 VanDerWaalsContact OD1-CB 3.22Å; D154-R156 WeakPolarHBondContact OD1-CB 3.46Å; D154-R156 PolarHBondContact OD1-N 3.37Å; D154-R156 IonicContact OD1-NE 3.1Å; D154-R156 IonicContact OD2-CZ 3.88Å; D154-R156 IonicContact OD2-NE 3.29Å; D154-R156 PolarHBondContact OD2-NE 3.13Å; D154-R156 VanDerWaalsContact OD2-NE 3.11Å; D154-R156 IonicContact OD2-NH2 3.73Å; D154-R156 PolarHBondContact OD2-NH2 3.13Å; R156-D158 VanDerWaalsContact C-N 3.27Å; R156-D158 PolarHBondContact O-N 3.31Å; R156-E159 PolarHBondContact O-N 3.13Å; R156-M160 WeakPolarHBondContact O-CB 3.39Å; R156-M160 VanDerWaalsContact O-CG 3.26Å; R156-M160 WeakPolarHBondContact O-CG 3.36Å; R156-M160 PolarHBondContact O-N 3.02Å
157	E	86.2	Confident	83.2	Confident	6 Å²	6	62.7 Å²	62.7	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-39.4	171.8	-68.5	-173.3	159.2	0	0	111.2	R150 I151 T152 N153 D154 M160 D161	R150-E157 VanDerWaalsContact CA-OE2 3.31Å; R150-E157 WeakPolarHBondContact CA-OE2 3.45Å; I151-E157 PolarHBondContact N-OE1 2.72Å; I151-E157 PolarHBondContact N-OE2 2.91Å; I151-E157 VanDerWaalsContact N-OE2 3.07Å; T152-E157 VanDerWaalsContact N-CD 3.33Å; T152-E157 PolarHBondContact N-OE1 2.83Å; T152-E157 PolarHBondContact N-OE2 2.8Å; T152-E157 VanDerWaalsContact N-OE2 3.1Å; T152-E157 PolarHBondContact OG1-OE1 2.63Å; T152-E157 PolarHBondContact OG1-OE2 3.33Å; N153-E157 PolarHBondContact N-OE2 3.12Å; D154-E157 PolarHBondContact O-N 3.22Å; D154-E157 VanDerWaalsContact O-N 3.13Å; D154-E157 PolarHBondContact OD1-N 2.89Å; E157-M160 HydrophobicContact CB-CE 4.47Å; E157-M160 HydrophobicContact CG-CE 4.06Å; E157-M160 PolarHBondContact O-N 2.88Å; E157-D161 VanDerWaalsContact O-CB 3.29Å; E157-D161 WeakPolarHBondContact O-CB 3.41Å; E157-D161 PolarHBondContact O-N 3.44Å
158	D	86	Confident	83.7	Confident	71 Å²	71	61.7 Å²	61.7	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-48.5	173.2	-71.9	-35.5	0	0	0	112.6	R150 D154 R156 D161 E162	R150-D158 IonicContact CZ-OD1 3.37Å; R150-D158 VanDerWaalsContact CZ-OD1 3.29Å; R150-D158 IonicContact NH1-OD1 3.82Å; R150-D158 PolarHBondContact NH1-OD1 3.25Å; R150-D158 IonicContact NH2-OD1 2.75Å; R150-D158 PolarHBondContact NH2-OD1 3.29Å; R150-D158 VanDerWaalsContact NH2-OD1 3.09Å; D154-D158 PolarHBondContact O-N 2.93Å; R156-D158 VanDerWaalsContact C-N 3.27Å; R156-D158 PolarHBondContact O-N 3.31Å; D158-D161 PolarHBondContact O-N 2.65Å; D158-E162 PolarHBondContact O-N 3.37Å
159	E	88.4	Confident	84.3	Confident	56 Å²	56	64.4 Å²	64.4	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-38.9	180	-165.5	-166.8	146.6	0	0	111.9	L33 R37 A155 R156 D161 E162 N163	L33-E159 HydrophobicContact CD1-CB 3.88Å; L33-E159 HydrophobicContact CD1-CG 3.97Å; R37-E159 IonicContact CZ-OE1 3.85Å; R37-E159 IonicContact CZ-OE2 3.43Å; R37-E159 IonicContact NE-OE1 3.95Å; R37-E159 PolarHBondContact NE-OE1 3.49Å; R37-E159 IonicContact NH2-OE1 3.89Å; R37-E159 PolarHBondContact NH2-OE1 3.18Å; R37-E159 IonicContact NH2-OE2 2.85Å; R37-E159 PolarHBondContact NH2-OE2 3.37Å; A155-E159 PolarHBondContact O-N 3.35Å; A155-E159 VanDerWaalsContact O-N 3.11Å; R156-E159 PolarHBondContact O-N 3.13Å; E159-D161 VanDerWaalsContact C-N 3.3Å; E159-D161 PolarHBondContact O-N 2.89Å; E159-E162 PolarHBondContact O-N 2.88Å; E159-N163 WeakPolarHBondContact O-CB 3.46Å; E159-N163 PolarHBondContact O-N 3.09Å; E159-N163 PolarHBondContact O-ND2 2.82Å
160	M	88	Confident	84.8	Confident	9 Å²	9	60 Å²	60	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-39.2	175.6	-70.6	-169.9	-73.3	0	0	111.6	S32 L33 T36 I148 R156 E157 N163 I164	S32-M160 VanDerWaalsContact C-SD 3.58Å; S32-M160 WeakPolarHBondContact CB-SD 3.47Å; L33-M160 HydrophobicContact CB-CG 3.77Å; L33-M160 HydrophobicContact CB-SD 4.04Å; L33-M160 HydrophobicContact CD1-CB 4.39Å; L33-M160 HydrophobicContact CD1-CG 3.44Å; L33-M160 VanDerWaalsContact CD1-CG 3.44Å; L33-M160 HydrophobicContact CG-CG 4.21Å; L33-M160 PolarHBondContact N-SD 3.15Å; L33-M160 VanDerWaalsContact N-SD 3.37Å; T36-M160 HydrophobicContact CG2-CB 4.11Å; T36-M160 HydrophobicContact CG2-CG 4.13Å; I148-M160 VanDerWaalsContact CD1-C 3.45Å; I148-M160 HydrophobicContact CD1-CB 3.09Å; I148-M160 HydrophobicContact CD1-CE 4.47Å; I148-M160 HydrophobicContact CD1-CG 4.23Å; I148-M160 HydrophobicContact CD1-SD 4.34Å; R156-M160 WeakPolarHBondContact O-CB 3.39Å; R156-M160 VanDerWaalsContact O-CG 3.26Å; R156-M160 WeakPolarHBondContact O-CG 3.36Å; R156-M160 PolarHBondContact O-N 3.02Å; E157-M160 HydrophobicContact CB-CE 4.47Å; E157-M160 HydrophobicContact CG-CE 4.06Å; E157-M160 PolarHBondContact O-N 2.88Å; M160-N163 PolarHBondContact O-N 2.8Å; M160-I164 VanDerWaalsContact O-CG1 3.31Å; M160-I164 WeakPolarHBondContact O-CG1 3.32Å; M160-I164 PolarHBondContact O-N 2.77Å
161	D	88.9	Confident	85.4	Confident	19 Å²	19	58.1 Å²	58.1	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-41.7	179	-160.8	21.9	0	0	0	110.5	G146 Y147 R150 E157 D158 E159 Q165	G146-D161 VanDerWaalsContact CA-OD1 3.26Å; G146-D161 WeakPolarHBondContact CA-OD1 3.46Å; G146-D161 WeakPolarHBondContact CA-OD2 3.47Å; Y147-D161 PolarHBondContact N-OD1 3.3Å; R150-D161 IonicContact CZ-OD2 3.51Å; R150-D161 IonicContact NE-OD2 3.56Å; R150-D161 IonicContact NH2-OD2 2.74Å; R150-D161 PolarHBondContact NH2-OD2 3.11Å; E157-D161 VanDerWaalsContact O-CB 3.29Å; E157-D161 WeakPolarHBondContact O-CB 3.41Å; E157-D161 PolarHBondContact O-N 3.44Å; D158-D161 PolarHBondContact O-N 2.65Å; E159-D161 VanDerWaalsContact C-N 3.3Å; E159-D161 PolarHBondContact O-N 2.89Å; D161-Q165 WeakPolarHBondContact O-CB 3.48Å; D161-Q165 PolarHBondContact O-N 2.85Å
162	E	88.6	Confident	86.1	Confident	116 Å²	116	53 Å²	53	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-44.6	173.1	-168.9	178.7	177.1	0	0	112.1	D158 E159 I164 Q165 Q166	D158-E162 PolarHBondContact O-N 3.37Å; E159-E162 PolarHBondContact O-N 2.88Å; E162-I164 PolarHBondContact O-N 2.96Å; E162-Q165 PolarHBondContact O-N 3.16Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.12Å
163	N	90.5	Very high	86.7	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-43.9	178.2	-71.5	-21.4	0	0	0	111.3	T36 L40 E159 M160 Q166 V167	T36-N163 PolarHBondContact OG1-ND2 2.99Å; L40-N163 HydrophobicContact CD1-CB 3.75Å; L40-N163 VanDerWaalsContact CD1-OD1 3.24Å; L40-N163 WeakPolarHBondContact CD1-OD1 3.31Å; L40-N163 HydrophobicContact CG-CB 4.39Å; E159-N163 WeakPolarHBondContact O-CB 3.46Å; E159-N163 PolarHBondContact O-N 3.09Å; E159-N163 PolarHBondContact O-ND2 2.82Å; M160-N163 PolarHBondContact O-N 2.8Å; N163-Q166 PolarHBondContact O-N 2.85Å; N163-V167 WeakPolarHBondContact O-CG2 3.27Å; N163-V167 PolarHBondContact O-N 3.28Å
164	I	89.6	Confident	87.3	Confident	46 Å²	46	50.2 Å²	50.2	24%	0.236	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-36.3	177.6	-64.1	177.7	0	0	0	111	T36 Y147 I148 M160 E162 Q166 V167 S168	T36-I164 HydrophobicContact CG2-CD1 4.03Å; T36-I164 HydrophobicContact CG2-CG1 3.82Å; Y147-I164 HydrophobicContact CD1-CG2 3.59Å; Y147-I164 HydrophobicContact CD2-CB 4.33Å; Y147-I164 HydrophobicContact CD2-CG2 4.02Å; Y147-I164 HydrophobicContact CE1-CG2 4.31Å; Y147-I164 HydrophobicContact CG-CB 4.1Å; Y147-I164 HydrophobicContact CG-CG2 3.43Å; Y147-I164 VanDerWaalsContact CG-CG2 3.43Å; I148-I164 HydrophobicContact CD1-CD1 3.74Å; I148-I164 HydrophobicContact CG1-CD1 3.83Å; M160-I164 VanDerWaalsContact O-CG1 3.31Å; M160-I164 WeakPolarHBondContact O-CG1 3.32Å; M160-I164 PolarHBondContact O-N 2.77Å; E162-I164 PolarHBondContact O-N 2.96Å; I164-Q166 VanDerWaalsContact C-N 3.31Å; I164-Q166 PolarHBondContact O-N 3.34Å; I164-V167 PolarHBondContact O-N 3.25Å; I164-S168 VanDerWaalsContact O-CB 3.25Å; I164-S168 WeakPolarHBondContact O-CB 3.44Å; I164-S168 PolarHBondContact O-N 3.22Å
165	Q	87.5	Confident	87.6	Confident	68 Å²	68	54.9 Å²	54.9	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-41.8	172.7	-179	59	81.3	0	0	111.7	Y147 D161 E162 S168 N169	Y147-Q165 HydrophobicContact CD2-CB 4.03Å; Y147-Q165 HydrophobicContact CE2-CB 3.51Å; Y147-Q165 VanDerWaalsContact CE2-CD 3.45Å; Y147-Q165 HydrophobicContact CE2-CG 4.02Å; Y147-Q165 PolarHBondContact OH-NE2 3.36Å; Y147-Q165 PolarHBondContact OH-OE1 2.94Å; D161-Q165 WeakPolarHBondContact O-CB 3.48Å; D161-Q165 PolarHBondContact O-N 2.85Å; E162-Q165 PolarHBondContact O-N 3.16Å; Q165-S168 PolarHBondContact O-N 3.27Å; Q165-N169 PolarHBondContact NE2-OD1 2.84Å; Q165-N169 PolarHBondContact O-N 3.3Å; Q165-N169 VanDerWaalsContact O-N 3.08Å; Q165-N169 PolarHBondContact O-ND2 3.04Å; Q165-N169 PolarHBondContact O-OD1 3.1Å
166	Q	87.7	Confident	87.7	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-66.8	-44.9	175.2	-73.2	-177.6	37.1	0	0	111.8	L40 E162 N163 I164 S168 N169 M170	L40-Q166 HydrophobicContact CD2-CB 3.53Å; E162-Q166 WeakPolarHBondContact O-CG 3.47Å; E162-Q166 PolarHBondContact O-N 3.12Å; N163-Q166 PolarHBondContact O-N 2.85Å; I164-Q166 VanDerWaalsContact C-N 3.31Å; I164-Q166 PolarHBondContact O-N 3.34Å; Q166-S168 VanDerWaalsContact C-N 3.34Å; Q166-S168 PolarHBondContact O-N 2.99Å; Q166-N169 PolarHBondContact O-N 3.03Å; Q166-M170 WeakPolarHBondContact O-CB 3.43Å; Q166-M170 VanDerWaalsContact O-CG 3.25Å; Q166-M170 WeakPolarHBondContact O-CG 3.48Å; Q166-M170 PolarHBondContact O-N 3.01Å
167	V	90	Very high	87.8	Confident	11 Å²	11	52.7 Å²	52.7	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-45.8	173.7	169.8	0	0	0	0	111	M39 L40 N163 I164 N169 M170 V171	M39-V167 HydrophobicContact CB-CG2 4.05Å; M39-V167 HydrophobicContact CG-CB 4.43Å; M39-V167 HydrophobicContact CG-CG1 3.81Å; M39-V167 HydrophobicContact CG-CG2 3.76Å; M39-V167 HydrophobicContact SD-CB 4.37Å; M39-V167 HydrophobicContact SD-CG1 3.71Å; M39-V167 HydrophobicContact SD-CG2 4.14Å; L40-V167 HydrophobicContact CB-CG2 4.44Å; L40-V167 HydrophobicContact CD2-CB 4.47Å; L40-V167 HydrophobicContact CD2-CG2 3.54Å; L40-V167 HydrophobicContact CG-CG2 3.74Å; N163-V167 WeakPolarHBondContact O-CG2 3.27Å; N163-V167 PolarHBondContact O-N 3.28Å; I164-V167 PolarHBondContact O-N 3.25Å; V167-N169 VanDerWaalsContact C-N 3.33Å; V167-N169 PolarHBondContact O-N 3.31Å; V167-M170 CarbonylContact O-C 3.51Å; V167-M170 PolarHBondContact O-N 2.96Å; V167-M170 VanDerWaalsContact O-N 3.12Å; V167-V171 HydrophobicContact CG1-CG2 3.91Å; V167-V171 WeakPolarHBondContact O-CB 3.37Å; V167-V171 VanDerWaalsContact O-CG2 3.28Å; V167-V171 WeakPolarHBondContact O-CG2 3.45Å; V167-V171 PolarHBondContact O-N 3.48Å
168	S	87.4	Confident	87.8	Confident	50 Å²	50	54.9 Å²	54.9	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-57	-46.9	178.7	-178.2	0	0	0	0	111.2	Y147 I164 Q165 Q166 M170 V171 G172	Y147-S168 VanDerWaalsContact OH-CB 3.3Å; Y147-S168 WeakPolarHBondContact OH-CB 3.23Å; Y147-S168 PolarHBondContact OH-OG 3.46Å; I164-S168 VanDerWaalsContact O-CB 3.25Å; I164-S168 WeakPolarHBondContact O-CB 3.44Å; I164-S168 PolarHBondContact O-N 3.22Å; Q165-S168 PolarHBondContact O-N 3.27Å; Q166-S168 VanDerWaalsContact C-N 3.34Å; Q166-S168 PolarHBondContact O-N 2.99Å; S168-M170 PolarHBondContact O-N 3.4Å; S168-V171 PolarHBondContact O-N 2.84Å; S168-G172 PolarHBondContact O-N 3.36Å
169	N	86.1	Confident	87.8	Confident	86 Å²	86	52.9 Å²	52.9	46%	0.46	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.6	-67.3	-15.4	0	0	0	111.9	Q165 Q166 V167 G172 N173	Q165-N169 PolarHBondContact NE2-OD1 2.84Å; Q165-N169 PolarHBondContact O-N 3.3Å; Q165-N169 VanDerWaalsContact O-N 3.08Å; Q165-N169 PolarHBondContact O-ND2 3.04Å; Q165-N169 PolarHBondContact O-OD1 3.1Å; Q166-N169 PolarHBondContact O-N 3.03Å; V167-N169 VanDerWaalsContact C-N 3.33Å; V167-N169 PolarHBondContact O-N 3.31Å; N169-G172 PolarHBondContact O-N 3.24Å; N169-N173 VanDerWaalsContact O-CG 3.27Å; N169-N173 PolarHBondContact O-N 2.7Å; N169-N173 PolarHBondContact O-ND2 2.95Å
170	M	86.3	Confident	87.8	Confident	23 Å²	23	54.4 Å²	54.4	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-69.3	-39.4	179.6	-70.4	175.8	75	0	0	113	L40 C43 E44 Q166 V167 S168 G172 N173 L174	L40-M170 HydrophobicContact CD2-SD 4.13Å; C43-M170 HydrophobicContact CB-CB 3.95Å; C43-M170 HydrophobicContact CB-CE 3.5Å; C43-M170 VanDerWaalsContact CB-CE 3.5Å; C43-M170 HydrophobicContact CB-SD 3.96Å; C43-M170 WeakPolarHBondContact O-CE 3.32Å; E44-M170 VanDerWaalsContact CA-CE 3.44Å; E44-M170 HydrophobicContact CB-CE 3.97Å; E44-M170 HydrophobicContact CG-CE 3.33Å; E44-M170 HydrophobicContact CG-SD 4.31Å; Q166-M170 WeakPolarHBondContact O-CB 3.43Å; Q166-M170 VanDerWaalsContact O-CG 3.25Å; Q166-M170 WeakPolarHBondContact O-CG 3.48Å; Q166-M170 PolarHBondContact O-N 3.01Å; V167-M170 CarbonylContact O-C 3.51Å; V167-M170 PolarHBondContact O-N 2.96Å; V167-M170 VanDerWaalsContact O-N 3.12Å; S168-M170 PolarHBondContact O-N 3.4Å; M170-G172 VanDerWaalsContact C-N 3.34Å; M170-N173 PolarHBondContact O-N 2.95Å; M170-L174 WeakPolarHBondContact O-CB 3.34Å; M170-L174 VanDerWaalsContact O-CG 3.31Å; M170-L174 WeakPolarHBondContact O-CG 3.22Å; M170-L174 PolarHBondContact O-N 3.02Å
171	V	88.2	Confident	87.8	Confident	74 Å²	74	55.8 Å²	55.8	45%	0.448	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-38.3	174.3	172.3	0	0	0	0	110.3	V167 S168 L174 R175	V167-V171 HydrophobicContact CG1-CG2 3.91Å; V167-V171 WeakPolarHBondContact O-CB 3.37Å; V167-V171 VanDerWaalsContact O-CG2 3.28Å; V167-V171 WeakPolarHBondContact O-CG2 3.45Å; V167-V171 PolarHBondContact O-N 3.48Å; S168-V171 PolarHBondContact O-N 2.84Å; V171-L174 PolarHBondContact O-N 3.06Å; V171-R175 WeakPolarHBondContact O-CB 3.44Å; V171-R175 PolarHBondContact O-N 3.04Å
172	G	85.8	Confident	87.7	Confident	29 Å²	29	56.8 Å²	56.8	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-57.3	-47.9	169.9	0	0	0	0	0	112.1	S168 N169 M170 R175 N176	S168-G172 PolarHBondContact O-N 3.36Å; N169-G172 PolarHBondContact O-N 3.24Å; M170-G172 VanDerWaalsContact C-N 3.34Å; G172-R175 PolarHBondContact O-N 2.92Å; G172-N176 VanDerWaalsContact O-CG 3.26Å; G172-N176 PolarHBondContact O-N 3.19Å; G172-N176 PolarHBondContact O-ND2 2.96Å
173	N	87.3	Confident	87.6	Confident	79 Å²	79	52.8 Å²	52.8	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-40.7	176.4	-68.5	-29.2	0	0	0	112.8	N169 M170 N176 M177	N169-N173 VanDerWaalsContact O-CG 3.27Å; N169-N173 PolarHBondContact O-N 2.7Å; N169-N173 PolarHBondContact O-ND2 2.95Å; M170-N173 PolarHBondContact O-N 2.95Å; N173-N176 PolarHBondContact O-N 3.46Å; N173-M177 WeakPolarHBondContact O-CG 3.24Å; N173-M177 PolarHBondContact O-N 3.17Å
174	L	88.1	Confident	87.4	Confident	39 Å²	39	54.9 Å²	54.9	20%	0.204	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-40.7	175.6	-77.5	166	0	0	0	111.8	K47 M170 V171 M177 A178	K47-L174 HydrophobicContact CB-CD2 4.35Å; M170-L174 WeakPolarHBondContact O-CB 3.34Å; M170-L174 VanDerWaalsContact O-CG 3.31Å; M170-L174 WeakPolarHBondContact O-CG 3.22Å; M170-L174 PolarHBondContact O-N 3.02Å; V171-L174 PolarHBondContact O-N 3.06Å; L174-M177 HydrophobicContact CD2-CE 3.76Å; L174-M177 HydrophobicContact CG-CE 4.31Å; L174-M177 PolarHBondContact O-N 3.47Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 2.99Å
175	R	87.9	Confident	87.4	Confident	134 Å²	134	56.4 Å²	56.4	51%	0.506	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-45.1	174.8	-178.3	-176.8	179.7	-169.7	-0.9	110.9	I133 V171 G172 A178 I179	I133-R175 HydrophobicContact CD1-CG 4.28Å; V171-R175 WeakPolarHBondContact O-CB 3.44Å; V171-R175 PolarHBondContact O-N 3.04Å; G172-R175 PolarHBondContact O-N 2.92Å; R175-A178 PolarHBondContact O-N 3.34Å; R175-I179 HydrophobicContact CG-CD1 4.01Å; R175-I179 WeakPolarHBondContact O-CG1 3.39Å; R175-I179 PolarHBondContact O-N 3Å
176	N	87.4	Confident	87.3	Confident	73 Å²	73	58 Å²	58	39%	0.39	32%	0.317	S	S	.	.	H	α-helix	trans	-62.4	-48.4	177.5	-66	-15.3	0	0	0	110.6	G172 N173 A178 I179 D180	G172-N176 VanDerWaalsContact O-CG 3.26Å; G172-N176 PolarHBondContact O-N 3.19Å; G172-N176 PolarHBondContact O-ND2 2.96Å; N173-N176 PolarHBondContact O-N 3.46Å; N176-A178 VanDerWaalsContact C-N 3.32Å; N176-A178 PolarHBondContact O-N 2.8Å; N176-I179 PolarHBondContact O-N 3.14Å; N176-I179 VanDerWaalsContact O-N 3.1Å; N176-D180 PolarHBondContact O-N 2.95Å
177	M	88.4	Confident	87.2	Confident	24 Å²	24	57.5 Å²	57.5	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-38.9	175.3	-72.8	-171.2	-65.5	0	0	113	K47 I51 L54 N173 L174 I179 D180 M181	K47-M177 HydrophobicContact CB-CE 4.39Å; K47-M177 HydrophobicContact CG-CE 3.97Å; I51-M177 HydrophobicContact CG1-SD 3.8Å; L54-M177 HydrophobicContact CD1-CB 3.83Å; L54-M177 HydrophobicContact CD1-CG 3.67Å; L54-M177 HydrophobicContact CD1-SD 4.12Å; N173-M177 WeakPolarHBondContact O-CG 3.24Å; N173-M177 PolarHBondContact O-N 3.17Å; L174-M177 HydrophobicContact CD2-CE 3.76Å; L174-M177 HydrophobicContact CG-CE 4.31Å; L174-M177 PolarHBondContact O-N 3.47Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-D180 PolarHBondContact O-N 3.49Å; M177-M181 WeakPolarHBondContact O-CB 3.38Å; M177-M181 VanDerWaalsContact O-CG 3.27Å; M177-M181 WeakPolarHBondContact O-CG 3.39Å; M177-M181 PolarHBondContact O-N 3.21Å
178	A	86.8	Confident	87.1	Confident	52 Å²	52	57.6 Å²	57.6	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-36.6	177	0	0	0	0	0	112.4	L174 R175 N176 M181 G182	L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 2.99Å; R175-A178 PolarHBondContact O-N 3.34Å; N176-A178 VanDerWaalsContact C-N 3.32Å; N176-A178 PolarHBondContact O-N 2.8Å; A178-M181 HydrophobicContact CB-CE 4.44Å; A178-G182 PolarHBondContact O-N 2.92Å
179	I	85.9	Confident	87.2	Confident	30 Å²	30	59.4 Å²	59.4	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-46.5	174.8	-71.5	165.8	0	0	0	109.8	I133 R175 N176 M177 M181 G182 T183	I133-I179 HydrophobicContact CD1-CD1 3.02Å; I133-I179 HydrophobicContact CD1-CG1 4.49Å; I133-I179 HydrophobicContact CG1-CD1 3.64Å; R175-I179 HydrophobicContact CG-CD1 4.01Å; R175-I179 WeakPolarHBondContact O-CG1 3.39Å; R175-I179 PolarHBondContact O-N 3Å; N176-I179 PolarHBondContact O-N 3.14Å; N176-I179 VanDerWaalsContact O-N 3.1Å; M177-I179 VanDerWaalsContact C-N 3.33Å; I179-M181 VanDerWaalsContact C-N 3.32Å; I179-M181 PolarHBondContact O-N 3.37Å; I179-G182 PolarHBondContact O-N 2.69Å; I179-G182 VanDerWaalsContact O-N 3.09Å; I179-T183 WeakPolarHBondContact O-CB 3.37Å; I179-T183 PolarHBondContact O-N 3.03Å; I179-T183 PolarHBondContact O-OG1 3.2Å
180	D	86.7	Confident	87.2	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-57.1	-46.2	176.5	-63	-23.2	0	0	0	110.7	L54 N176 M177 G182 T183 E184	L54-D180 HydrophobicContact CD2-CB 4.07Å; N176-D180 PolarHBondContact O-N 2.95Å; M177-D180 PolarHBondContact O-N 3.49Å; D180-G182 PolarHBondContact O-N 3.38Å; D180-T183 WeakPolarHBondContact O-CB 3.43Å; D180-T183 PolarHBondContact O-N 3.25Å; D180-E184 VanDerWaalsContact O-CB 3.3Å; D180-E184 WeakPolarHBondContact O-CB 3.28Å; D180-E184 PolarHBondContact O-N 2.98Å
181	M	88.3	Confident	87.3	Confident	39 Å²	39	58.5 Å²	58.5	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-45.3	174	-74.7	-172.3	-68.2	0	0	112.5	T53 L54 L57 M177 A178 I179 T183 E184 I185	T53-M181 HydrophobicContact CG2-SD 3.5Å; T53-M181 WeakPolarHBondContact CG2-SD 3.37Å; L54-M181 HydrophobicContact CD1-CG 4.46Å; L54-M181 HydrophobicContact CD2-CB 4.29Å; L54-M181 HydrophobicContact CD2-CG 3.38Å; L54-M181 HydrophobicContact CG-CG 3.54Å; L54-M181 HydrophobicContact CG-SD 4.31Å; L57-M181 HydrophobicContact CD1-CB 4.08Å; L57-M181 HydrophobicContact CD1-CG 3.96Å; M177-M181 WeakPolarHBondContact O-CB 3.38Å; M177-M181 VanDerWaalsContact O-CG 3.27Å; M177-M181 WeakPolarHBondContact O-CG 3.39Å; M177-M181 PolarHBondContact O-N 3.21Å; A178-M181 HydrophobicContact CB-CE 4.44Å; I179-M181 VanDerWaalsContact C-N 3.32Å; I179-M181 PolarHBondContact O-N 3.37Å; M181-T183 VanDerWaalsContact C-N 3.33Å; M181-T183 PolarHBondContact O-N 3.28Å; M181-E184 PolarHBondContact O-N 3.37Å; M181-I185 WeakPolarHBondContact O-CB 3.46Å; M181-I185 WeakPolarHBondContact O-CD1 3.38Å; M181-I185 VanDerWaalsContact O-CG1 3.23Å; M181-I185 WeakPolarHBondContact O-CG1 3.33Å; M181-I185 PolarHBondContact O-N 3.45Å
182	G	87.5	Confident	87.3	Confident	40 Å²	40	58.8 Å²	58.8	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-37.9	178.5	0	0	0	0	0	112.8	A178 I179 D180 Y186	A178-G182 PolarHBondContact O-N 2.92Å; I179-G182 PolarHBondContact O-N 2.69Å; I179-G182 VanDerWaalsContact O-N 3.09Å; D180-G182 PolarHBondContact O-N 3.38Å; G182-Y186 WeakPolarHBondContact O-CB 3.35Å; G182-Y186 PolarHBondContact O-N 3.44Å
183	T	86	Confident	87.5	Confident	31 Å²	31	62.1 Å²	62.1	19%	0.19	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-48.4	176.1	-46.1	0	0	0	0	110.3	I127 Q130 I179 D180 M181 Y186 N187	I127-T183 HydrophobicContact CD1-CG2 3.59Å; Q130-T183 PolarHBondContact NE2-OG1 3.01Å; I179-T183 WeakPolarHBondContact O-CB 3.37Å; I179-T183 PolarHBondContact O-N 3.03Å; I179-T183 PolarHBondContact O-OG1 3.2Å; D180-T183 WeakPolarHBondContact O-CB 3.43Å; D180-T183 PolarHBondContact O-N 3.25Å; M181-T183 VanDerWaalsContact C-N 3.33Å; M181-T183 PolarHBondContact O-N 3.28Å; T183-Y186 PolarHBondContact O-N 3.15Å; T183-N187 WeakPolarHBondContact O-CB 3.35Å; T183-N187 PolarHBondContact O-N 3.33Å; T183-N187 PolarHBondContact O-ND2 3.42Å
184	E	86.5	Confident	87.4	Confident	58 Å²	58	62.4 Å²	62.4	27%	0.271	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-46.2	-178.3	-169.3	52.8	-141	0	0	111.2	L57 D180 M181 Y186 N187 Q188	L57-E184 HydrophobicContact CB-CG 4.05Å; D180-E184 VanDerWaalsContact O-CB 3.3Å; D180-E184 WeakPolarHBondContact O-CB 3.28Å; D180-E184 PolarHBondContact O-N 2.98Å; M181-E184 PolarHBondContact O-N 3.37Å; E184-Y186 VanDerWaalsContact C-N 3.32Å; E184-Y186 PolarHBondContact O-N 3.42Å; E184-N187 PolarHBondContact O-N 2.92Å; E184-Q188 WeakPolarHBondContact O-CB 3.3Å; E184-Q188 VanDerWaalsContact O-CG 3.27Å; E184-Q188 WeakPolarHBondContact O-CG 3.23Å; E184-Q188 PolarHBondContact O-N 2.93Å; E184-Q188 PolarHBondContact OE1-NE2 3.5Å
185	I	88.7	Confident	87.5	Confident	77 Å²	77	61.7 Å²	61.7	40%	0.395	31%	0.314	S	S	.	.	H	α-helix	trans	-60.3	-42.3	175.2	-69.7	167	0	0	0	111.3	L57 M181 Q188 N189	L57-I185 HydrophobicContact CD1-CD1 4.13Å; L57-I185 HydrophobicContact CD1-CG1 3.92Å; L57-I185 HydrophobicContact CD2-CD1 4.34Å; L57-I185 HydrophobicContact CD2-CG1 3.67Å; L57-I185 HydrophobicContact CG-CG1 4.49Å; M181-I185 WeakPolarHBondContact O-CB 3.46Å; M181-I185 WeakPolarHBondContact O-CD1 3.38Å; M181-I185 VanDerWaalsContact O-CG1 3.23Å; M181-I185 WeakPolarHBondContact O-CG1 3.33Å; M181-I185 PolarHBondContact O-N 3.45Å; I185-Q188 PolarHBondContact O-N 2.77Å; I185-N189 WeakPolarHBondContact O-CB 3.44Å; I185-N189 PolarHBondContact O-N 2.7Å; I185-N189 PolarHBondContact O-ND2 3.11Å; I185-N189 VanDerWaalsContact O-ND2 3.1Å
186	Y	86.2	Confident	87.6	Confident	101 Å²	101	59.9 Å²	59.9	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-44.4	178	-179.1	-94.5	0	0	0	111.7	I127 G182 T183 E184 Q188 N189 R190	I127-Y186 HydrophobicContact CD1-CD1 3.74Å; I127-Y186 HydrophobicContact CD1-CE1 4.37Å; I127-Y186 HydrophobicContact CD1-CG 4.3Å; I127-Y186 HydrophobicContact CG1-CD1 3.56Å; I127-Y186 HydrophobicContact CG1-CE1 3.67Å; I127-Y186 HydrophobicContact CG1-CG 4.37Å; G182-Y186 WeakPolarHBondContact O-CB 3.35Å; G182-Y186 PolarHBondContact O-N 3.44Å; T183-Y186 PolarHBondContact O-N 3.15Å; E184-Y186 VanDerWaalsContact C-N 3.32Å; E184-Y186 PolarHBondContact O-N 3.42Å; Y186-Q188 PolarHBondContact O-N 3.41Å; Y186-N189 PolarHBondContact O-N 2.83Å; Y186-R190 HydrophobicContact CD1-CG 4.49Å; Y186-R190 VanDerWaalsContact CE1-CD 3.41Å; Y186-R190 HydrophobicContact CE1-CG 4.08Å; Y186-R190 PolarHBondContact O-N 3.25Å
187	N	85.8	Confident	87.6	Confident	71 Å²	71	61.2 Å²	61.2	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-45.1	177.2	-70.8	-18.8	0	0	0	111.4	T183 E184 R190 Q191	T183-N187 WeakPolarHBondContact O-CB 3.35Å; T183-N187 PolarHBondContact O-N 3.33Å; T183-N187 PolarHBondContact O-ND2 3.42Å; E184-N187 PolarHBondContact O-N 2.92Å; N187-R190 PolarHBondContact O-N 2.97Å; N187-Q191 WeakPolarHBondContact O-CB 3.41Å; N187-Q191 PolarHBondContact O-N 2.84Å
188	Q	88.7	Confident	87.7	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-39.5	177.3	-70.4	-179.9	16.7	0	0	112.4	L57 L64 E184 I185 Y186 Q191 L192	L57-Q188 PolarHBondContact O-NE2 2.97Å; L64-Q188 HydrophobicContact CD1-CB 3.88Å; L64-Q188 HydrophobicContact CD1-CG 4.07Å; E184-Q188 WeakPolarHBondContact O-CB 3.3Å; E184-Q188 VanDerWaalsContact O-CG 3.27Å; E184-Q188 WeakPolarHBondContact O-CG 3.23Å; E184-Q188 PolarHBondContact O-N 2.93Å; E184-Q188 PolarHBondContact OE1-NE2 3.5Å; I185-Q188 PolarHBondContact O-N 2.77Å; Y186-Q188 PolarHBondContact O-N 3.41Å; Q188-Q191 WeakPolarHBondContact O-CB 3.46Å; Q188-Q191 PolarHBondContact O-N 3.34Å; Q188-L192 WeakPolarHBondContact O-CG 3.32Å; Q188-L192 PolarHBondContact O-N 3.1Å
189	N	88.8	Confident	87.8	Confident	88 Å²	88	60.3 Å²	60.3	47%	0.471	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.2	-76.8	-38.3	0	0	0	112	I185 Y186 Q191 L192 D193	I185-N189 WeakPolarHBondContact O-CB 3.44Å; I185-N189 PolarHBondContact O-N 2.7Å; I185-N189 PolarHBondContact O-ND2 3.11Å; I185-N189 VanDerWaalsContact O-ND2 3.1Å; Y186-N189 PolarHBondContact O-N 2.83Å; N189-Q191 VanDerWaalsContact C-N 3.31Å; N189-Q191 PolarHBondContact O-N 3.3Å; N189-L192 WeakPolarHBondContact O-CB 3.37Å; N189-L192 PolarHBondContact O-N 3.35Å; N189-D193 PolarHBondContact O-N 3.25Å; N189-D193 VanDerWaalsContact O-N 3.12Å
190	R	86.2	Confident	88	Confident	64 Å²	64	64.3 Å²	64.3	24%	0.242	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-36.4	173.2	-71.1	-169.3	74.3	-172.8	3.2	112	D122 G125 Y186 N187 D193 R194	D122-R190 IonicContact OD2-NH2 2.97Å; D122-R190 PolarHBondContact OD2-NH2 3.47Å; G125-R190 PolarHBondContact O-NH1 3.05Å; Y186-R190 HydrophobicContact CD1-CG 4.49Å; Y186-R190 VanDerWaalsContact CE1-CD 3.41Å; Y186-R190 HydrophobicContact CE1-CG 4.08Å; Y186-R190 PolarHBondContact O-N 3.25Å; N187-R190 PolarHBondContact O-N 2.97Å; R190-D193 PolarHBondContact O-N 2.91Å; R190-R194 PolarHBondContact O-N 3.26Å; R190-R194 VanDerWaalsContact O-N 3.12Å
191	Q	87.7	Confident	88	Confident	25 Å²	25	60.8 Å²	60.8	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-42.5	175.5	-170.5	172.5	28.4	0	0	111.7	L64 E68 N187 Q188 N189 D193 R194 I195	L64-Q191 HydrophobicContact CB-CG 4.32Å; L64-Q191 VanDerWaalsContact CB-OE1 3.28Å; E68-Q191 VanDerWaalsContact OE2-CG 3.3Å; E68-Q191 WeakPolarHBondContact OE2-CG 3.24Å; E68-Q191 PolarHBondContact OE2-NE2 3.25Å; N187-Q191 WeakPolarHBondContact O-CB 3.41Å; N187-Q191 PolarHBondContact O-N 2.84Å; Q188-Q191 WeakPolarHBondContact O-CB 3.46Å; Q188-Q191 PolarHBondContact O-N 3.34Å; N189-Q191 VanDerWaalsContact C-N 3.31Å; N189-Q191 PolarHBondContact O-N 3.3Å; Q191-D193 VanDerWaalsContact C-N 3.31Å; Q191-D193 PolarHBondContact O-N 3.07Å; Q191-R194 PolarHBondContact O-N 2.64Å; Q191-I195 HydrophobicContact CG-CD1 3.89Å; Q191-I195 HydrophobicContact CG-CG1 4.39Å; Q191-I195 WeakPolarHBondContact O-CB 3.48Å; Q191-I195 VanDerWaalsContact O-CG1 3.28Å; Q191-I195 WeakPolarHBondContact O-CG1 3.45Å; Q191-I195 PolarHBondContact O-N 3.09Å
192	L	89.5	Confident	88	Confident	80 Å²	80	59.1 Å²	59.1	42%	0.419	31%	0.305	S	S	.	.	H	α-helix	trans	-59	-41.3	174.2	-78.8	169.3	0	0	0	112.2	L64 Q188 N189 I195 N196	L64-L192 HydrophobicContact CD1-CD2 4.4Å; L64-L192 HydrophobicContact CD1-CG 4.08Å; L64-L192 HydrophobicContact CD2-CD2 3.5Å; L64-L192 VanDerWaalsContact CD2-CD2 3.5Å; L64-L192 HydrophobicContact CD2-CG 4.09Å; Q188-L192 WeakPolarHBondContact O-CG 3.32Å; Q188-L192 PolarHBondContact O-N 3.1Å; N189-L192 WeakPolarHBondContact O-CB 3.37Å; N189-L192 PolarHBondContact O-N 3.35Å; L192-I195 PolarHBondContact O-N 3.26Å; L192-N196 WeakPolarHBondContact O-CB 3.39Å; L192-N196 PolarHBondContact O-N 3.07Å
193	D	88.2	Confident	88.1	Confident	100 Å²	100	63.4 Å²	63.4	54%	0.535	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-43	175.3	-74.1	-28.6	0	0	0	111.9	N189 R190 Q191 N196 Q197	N189-D193 PolarHBondContact O-N 3.25Å; N189-D193 VanDerWaalsContact O-N 3.12Å; R190-D193 PolarHBondContact O-N 2.91Å; Q191-D193 VanDerWaalsContact C-N 3.31Å; Q191-D193 PolarHBondContact O-N 3.07Å; D193-N196 PolarHBondContact O-N 2.97Å; D193-Q197 WeakPolarHBondContact O-CG 3.25Å; D193-Q197 PolarHBondContact O-N 3.32Å; D193-Q197 VanDerWaalsContact O-N 3.09Å
194	R	85.9	Confident	88	Confident	85 Å²	85	67 Å²	67	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-46.3	175.2	-70	-166.8	-57	-91.2	-0.7	112.1	E68 R190 Q191 N196 Q197 K198	E68-R194 IonicContact OE1-NE 2.63Å; E68-R194 PolarHBondContact OE1-NE 2.87Å; E68-R194 IonicContact OE2-NH2 2.85Å; R190-R194 PolarHBondContact O-N 3.26Å; R190-R194 VanDerWaalsContact O-N 3.12Å; Q191-R194 PolarHBondContact O-N 2.64Å; R194-N196 VanDerWaalsContact C-N 3.27Å; R194-N196 PolarHBondContact O-N 3.27Å; R194-Q197 PolarHBondContact O-N 3.47Å; R194-K198 PolarHBondContact O-N 3.48Å
195	I	89.7	Confident	87.9	Confident	24 Å²	24	64.4 Å²	64.4	12%	0.123	32%	0.317	C	S	.	.	H	α-helix	trans	-55.9	-45.6	176.5	-72.9	165.3	0	0	0	109.9	L64 T67 E68 L71 Q191 L192 Q197 K198 A199	L64-I195 HydrophobicContact CB-CD1 4.09Å; L64-I195 HydrophobicContact CD2-CD1 4.04Å; T67-I195 WeakPolarHBondContact OG1-CD1 3.4Å; E68-I195 HydrophobicContact CB-CD1 4.27Å; E68-I195 HydrophobicContact CB-CG1 3.84Å; E68-I195 HydrophobicContact CG-CG1 4.17Å; L71-I195 HydrophobicContact CD1-CB 4.4Å; L71-I195 HydrophobicContact CD1-CG2 3.85Å; L71-I195 WeakPolarHBondContact CD1-O 3.5Å; Q191-I195 HydrophobicContact CG-CD1 3.89Å; Q191-I195 HydrophobicContact CG-CG1 4.39Å; Q191-I195 WeakPolarHBondContact O-CB 3.48Å; Q191-I195 VanDerWaalsContact O-CG1 3.28Å; Q191-I195 WeakPolarHBondContact O-CG1 3.45Å; Q191-I195 PolarHBondContact O-N 3.09Å; L192-I195 PolarHBondContact O-N 3.26Å; I195-Q197 PolarHBondContact O-N 3.12Å; I195-K198 PolarHBondContact O-N 2.99Å; I195-A199 WeakPolarHBondContact O-CB 3.4Å; I195-A199 PolarHBondContact O-N 3.18Å
196	N	90.7	Very high	87.8	Confident	95 Å²	95	63.1 Å²	63.1	51%	0.508	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-43.6	179.3	-166.6	14.7	0	0	0	111.7	L192 D193 R194 A199 L200	L192-N196 WeakPolarHBondContact O-CB 3.39Å; L192-N196 PolarHBondContact O-N 3.07Å; D193-N196 PolarHBondContact O-N 2.97Å; R194-N196 VanDerWaalsContact C-N 3.27Å; R194-N196 PolarHBondContact O-N 3.27Å; N196-A199 PolarHBondContact O-N 2.73Å; N196-L200 VanDerWaalsContact O-CG 3.31Å; N196-L200 WeakPolarHBondContact O-CG 3.42Å; N196-L200 PolarHBondContact O-N 2.99Å
197	Q	87.3	Confident	87.7	Confident	101 Å²	101	60.9 Å²	60.9	47%	0.472	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-46.3	176.3	-70.4	178.2	14.5	0	0	112.9	T117 D193 R194 I195 A199 L200 S201	T117-Q197 HydrophobicContact CG2-CB 4.07Å; D193-Q197 WeakPolarHBondContact O-CG 3.25Å; D193-Q197 PolarHBondContact O-N 3.32Å; D193-Q197 VanDerWaalsContact O-N 3.09Å; R194-Q197 PolarHBondContact O-N 3.47Å; I195-Q197 PolarHBondContact O-N 3.12Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 3.03Å; Q197-L200 PolarHBondContact O-N 3.46Å; Q197-S201 PolarHBondContact O-N 2.94Å
198	K	90.4	Very high	87.6	Confident	22 Å²	22	60.3 Å²	60.3	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-42.3	176.1	-75	-178.5	176.5	-179	0	111.4	E68 L71 D72 W118 R194 I195 S201 N202	E68-K198 HydrophobicContact CG-CD 4.15Å; E68-K198 IonicContact OE1-NZ 3.26Å; E68-K198 PolarHBondContact OE1-NZ 2.94Å; E68-K198 VanDerWaalsContact OE1-NZ 3.13Å; L71-K198 HydrophobicContact CB-CB 4.18Å; L71-K198 HydrophobicContact CD1-CB 3.92Å; D72-K198 WeakPolarHBondContact OD1-CD 3.38Å; D72-K198 VanDerWaalsContact OD1-CE 3.24Å; D72-K198 WeakPolarHBondContact OD1-CE 3.38Å; D72-K198 IonicContact OD1-NZ 3.25Å; D72-K198 PolarHBondContact OD1-NZ 3.09Å; D72-K198 IonicContact OD2-NZ 3.27Å; D72-K198 PolarHBondContact OD2-NZ 2.64Å; W118-K198 HydrophobicContact CE3-CD 4.38Å; W118-K198 HydrophobicContact CE3-CG 4.27Å; W118-K198 HydrophobicContact CH2-CB 3.77Å; W118-K198 HydrophobicContact CH2-CD 4.13Å; W118-K198 HydrophobicContact CH2-CG 3.81Å; W118-K198 HydrophobicContact CZ2-CB 3.96Å; W118-K198 HydrophobicContact CZ2-CG 4.08Å; W118-K198 HydrophobicContact CZ3-CB 4.38Å; W118-K198 HydrophobicContact CZ3-CD 3.89Å; W118-K198 HydrophobicContact CZ3-CG 3.93Å; R194-K198 PolarHBondContact O-N 3.48Å; I195-K198 PolarHBondContact O-N 2.99Å; K198-S201 PolarHBondContact O-N 2.9Å; K198-N202 WeakPolarHBondContact O-CB 3.44Å; K198-N202 PolarHBondContact O-N 3.04Å
199	A	90	Very high	87.3	Confident	36 Å²	36	60 Å²	60	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-46.6	178.2	0	0	0	0	0	112.2	L71 I195 N196 Q197 S201 N202 Q203	L71-A199 HydrophobicContact CD1-CB 4.09Å; L71-A199 HydrophobicContact CD2-CB 4.15Å; I195-A199 WeakPolarHBondContact O-CB 3.4Å; I195-A199 PolarHBondContact O-N 3.18Å; N196-A199 PolarHBondContact O-N 2.73Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 3.03Å; A199-S201 VanDerWaalsContact C-N 3.34Å; A199-S201 PolarHBondContact O-N 2.68Å; A199-N202 PolarHBondContact O-N 2.82Å; A199-Q203 WeakPolarHBondContact O-CB 3.28Å; A199-Q203 PolarHBondContact O-N 3.21Å
200	L	88.7	Confident	87	Confident	114 Å²	114	60.4 Å²	60.4	60%	0.597	31%	0.311	S	S	*	.	H	α-helix	trans	-61.3	-42.7	176.3	-70.8	173	0	0	0	111.6	N196 Q197 Q203 E204	N196-L200 VanDerWaalsContact O-CG 3.31Å; N196-L200 WeakPolarHBondContact O-CG 3.42Å; N196-L200 PolarHBondContact O-N 2.99Å; Q197-L200 PolarHBondContact O-N 3.46Å; L200-Q203 PolarHBondContact O-N 3.36Å; L200-E204 PolarHBondContact O-N 3.23Å
201	S	87.4	Confident	86.7	Confident	13 Å²	13	62.8 Å²	62.8	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-46.2	176.5	-178.6	0	0	0	0	112.5	W118 Q197 K198 A199 E204 R205	W118-S201 PolarHBondContact NE1-OG 3.28Å; Q197-S201 PolarHBondContact O-N 2.94Å; K198-S201 PolarHBondContact O-N 2.9Å; A199-S201 VanDerWaalsContact C-N 3.34Å; A199-S201 PolarHBondContact O-N 2.68Å; S201-E204 PolarHBondContact O-N 2.98Å; S201-R205 PolarHBondContact O-N 2.97Å; S201-R205 VanDerWaalsContact O-N 3.14Å
202	N	88.4	Confident	86.2	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-40.7	178.2	-84.1	-17.2	0	0	0	111.7	L71 I74 W118 K198 A199 E204 R205 I206	L71-N202 PolarHBondContact O-ND2 3.2Å; I74-N202 HydrophobicContact CG2-CB 4.05Å; W118-N202 VanDerWaalsContact CZ2-OD1 3.3Å; W118-N202 WeakPolarHBondContact CZ2-OD1 3.41Å; K198-N202 WeakPolarHBondContact O-CB 3.44Å; K198-N202 PolarHBondContact O-N 3.04Å; A199-N202 PolarHBondContact O-N 2.82Å; N202-E204 VanDerWaalsContact C-N 3.33Å; N202-E204 PolarHBondContact O-N 2.92Å; N202-R205 PolarHBondContact O-N 3.12Å; N202-I206 WeakPolarHBondContact O-CB 3.39Å; N202-I206 WeakPolarHBondContact O-CD1 3.37Å; N202-I206 VanDerWaalsContact O-CG1 3.23Å; N202-I206 WeakPolarHBondContact O-CG1 3.5Å; N202-I206 PolarHBondContact O-N 2.93Å
203	Q	88.6	Confident	85.5	Confident	130 Å²	130	61.4 Å²	61.4	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-59.1	-43.3	178.5	-179.1	63.9	12.8	0	0	112	A199 L200 S207	A199-Q203 WeakPolarHBondContact O-CB 3.28Å; A199-Q203 PolarHBondContact O-N 3.21Å; L200-Q203 PolarHBondContact O-N 3.36Å; Q203-S207 WeakPolarHBondContact O-CB 3.23Å; Q203-S207 PolarHBondContact O-N 3.28Å; Q203-S207 VanDerWaalsContact O-N 3.13Å
204	E	84.3	Confident	84.9	Confident	108 Å²	108	61.1 Å²	61.1	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-46.4	175.6	-172.7	175.6	-173.4	0	0	111.5	F108 L200 S201 N202 I206 S207 V208	F108-E204 HydrophobicContact CE2-CG 4.39Å; L200-E204 PolarHBondContact O-N 3.23Å; S201-E204 PolarHBondContact O-N 2.98Å; N202-E204 VanDerWaalsContact C-N 3.33Å; N202-E204 PolarHBondContact O-N 2.92Å; E204-I206 PolarHBondContact O-N 3.44Å; E204-S207 WeakPolarHBondContact O-CB 3.43Å; E204-S207 PolarHBondContact O-N 2.96Å; E204-V208 WeakPolarHBondContact O-CG2 3.49Å; E204-V208 PolarHBondContact O-N 2.78Å; E204-V208 VanDerWaalsContact O-N 3.09Å
205	R	84.7	Confident	84.1	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-45.8	-179.4	-159.2	174.1	-175.8	178.2	2.8	112.1	N75 M78 E82 F108 E109 S201 N202 V208 A209	N75-R205 PolarHBondContact OD1-NH1 3.45Å; M78-R205 HydrophobicContact CB-CG 4.33Å; M78-R205 HydrophobicContact CE-CG 4.22Å; E82-R205 VanDerWaalsContact CD-NE 3.34Å; E82-R205 WeakPolarHBondContact OE1-CG 3.4Å; E82-R205 IonicContact OE1-CZ 2.63Å; E82-R205 IonicContact OE1-NE 3.41Å; E82-R205 PolarHBondContact OE1-NE 3.21Å; E82-R205 IonicContact OE1-NH2 2.8Å; E82-R205 IonicContact OE2-CZ 2.83Å; E82-R205 IonicContact OE2-NE 3.44Å; E82-R205 PolarHBondContact OE2-NE 2.72Å; E82-R205 IonicContact OE2-NH2 3.58Å; E82-R205 PolarHBondContact OE2-NH2 3.05Å; F108-R205 HydrophobicContact CD1-CG 4.18Å; F108-R205 HydrophobicContact CE1-CB 4.37Å; F108-R205 HydrophobicContact CE1-CG 4.46Å; F108-R205 HydrophobicContact CG-CG 4.3Å; F108-R205 HydrophobicContact CZ-CB 4.44Å; E109-R205 IonicContact OE1-NH2 2.72Å; S201-R205 PolarHBondContact O-N 2.97Å; S201-R205 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact O-N 3.12Å; R205-V208 PolarHBondContact O-N 3.12Å; R205-A209 WeakPolarHBondContact O-CB 3.42Å; R205-A209 PolarHBondContact O-N 2.83Å
206	I	86.3	Confident	83	Confident	51 Å²	51	65.8 Å²	65.8	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.6	-68.8	163.5	0	0	0	111.1	I74 M78 N202 E204 V208 A209 N210	I74-I206 HydrophobicContact CG2-CD1 3.94Å; M78-I206 HydrophobicContact CE-CG1 4.29Å; M78-I206 HydrophobicContact CG-CG1 3.95Å; M78-I206 HydrophobicContact SD-CB 4.4Å; M78-I206 HydrophobicContact SD-CG1 3.51Å; M78-I206 VanDerWaalsContact SD-CG1 3.51Å; N202-I206 WeakPolarHBondContact O-CB 3.39Å; N202-I206 WeakPolarHBondContact O-CD1 3.37Å; N202-I206 VanDerWaalsContact O-CG1 3.23Å; N202-I206 WeakPolarHBondContact O-CG1 3.5Å; N202-I206 PolarHBondContact O-N 2.93Å; E204-I206 PolarHBondContact O-N 3.44Å; I206-V208 PolarHBondContact O-N 3.31Å; I206-A209 PolarHBondContact O-N 2.65Å; I206-N210 WeakPolarHBondContact CG2-ND2 3.42Å; I206-N210 WeakPolarHBondContact O-CB 3.28Å; I206-N210 PolarHBondContact O-N 2.82Å; I206-N210 PolarHBondContact O-ND2 3.01Å
207	S	84.8	Confident	81.8	Confident	54 Å²	54	66.5 Å²	66.5	38%	0.378	35%	0.346	S	S	.	.	H	α-helix	trans	-58.8	-46.9	179.2	-179.7	0	0	0	0	111.7	Q203 E204 N210 Q211	Q203-S207 WeakPolarHBondContact O-CB 3.23Å; Q203-S207 PolarHBondContact O-N 3.28Å; Q203-S207 VanDerWaalsContact O-N 3.13Å; E204-S207 WeakPolarHBondContact O-CB 3.43Å; E204-S207 PolarHBondContact O-N 2.96Å; S207-N210 PolarHBondContact O-N 2.72Å; S207-Q211 WeakPolarHBondContact O-CG 3.48Å; S207-Q211 PolarHBondContact O-N 3.04Å; S207-Q211 VanDerWaalsContact O-N 3.14Å
208	V	82.8	Confident	80.6	Confident	58 Å²	58	66.2 Å²	66.2	35%	0.352	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-43.7	179.3	175.7	0	0	0	0	111.5	E204 R205 I206 Q211 R212	E204-V208 WeakPolarHBondContact O-CG2 3.49Å; E204-V208 PolarHBondContact O-N 2.78Å; E204-V208 VanDerWaalsContact O-N 3.09Å; R205-V208 PolarHBondContact O-N 3.12Å; I206-V208 PolarHBondContact O-N 3.31Å; V208-Q211 PolarHBondContact O-N 3.5Å; V208-R212 WeakPolarHBondContact O-CG 3.42Å; V208-R212 PolarHBondContact O-N 3.41Å; V208-R212 VanDerWaalsContact O-N 3.15Å
209	A	83.1	Confident	79	Confident	8 Å²	8	74 Å²	74	7%	0.066	39%	0.388	C	S	.	.	H	α-helix	trans	-64.8	-42.2	178.2	0	0	0	0	0	112.6	M78 L85 R205 I206 Q211 R212 A213	M78-A209 HydrophobicContact CE-CB 3.38Å; L85-A209 HydrophobicContact CD1-CB 4.04Å; R205-A209 WeakPolarHBondContact O-CB 3.42Å; R205-A209 PolarHBondContact O-N 2.83Å; I206-A209 PolarHBondContact O-N 2.65Å; A209-Q211 VanDerWaalsContact C-N 3.32Å; A209-Q211 PolarHBondContact O-N 3.26Å; A209-R212 WeakPolarHBondContact O-CB 3.45Å; A209-R212 PolarHBondContact O-N 3.04Å; A209-R212 VanDerWaalsContact O-N 3.07Å; A209-A213 WeakPolarHBondContact O-CB 3.41Å; A209-A213 PolarHBondContact O-N 3.47Å
210	N	83	Confident	77.3	Confident	96 Å²	96	78.3 Å²	78.3	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-39.5	176.2	-82.8	-27.2	0	0	0	112.2	I206 S207 R212 A213 T214	I206-N210 WeakPolarHBondContact CG2-ND2 3.42Å; I206-N210 WeakPolarHBondContact O-CB 3.28Å; I206-N210 PolarHBondContact O-N 2.82Å; I206-N210 PolarHBondContact O-ND2 3.01Å; S207-N210 PolarHBondContact O-N 2.72Å; N210-R212 VanDerWaalsContact C-N 3.3Å; N210-R212 PolarHBondContact O-N 2.9Å; N210-A213 PolarHBondContact O-N 3.29Å; N210-T214 WeakPolarHBondContact O-CB 3.32Å; N210-T214 WeakPolarHBondContact O-CG2 3.49Å; N210-T214 PolarHBondContact O-N 3.39Å; N210-T214 PolarHBondContact O-OG1 3.08Å
211	Q	79.6	Confident	75.9	Confident	114 Å²	114	82.8 Å²	82.8	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-32.6	173.9	-71.3	178.8	24.4	0	0	112.7	S207 V208 A209 T214 K215	S207-Q211 WeakPolarHBondContact O-CG 3.48Å; S207-Q211 PolarHBondContact O-N 3.04Å; S207-Q211 VanDerWaalsContact O-N 3.14Å; V208-Q211 PolarHBondContact O-N 3.5Å; A209-Q211 VanDerWaalsContact C-N 3.32Å; A209-Q211 PolarHBondContact O-N 3.26Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.42Å; Q211-T214 PolarHBondContact O-OG1 3.4Å; Q211-K215 WeakPolarHBondContact O-CG 3.47Å
212	R	77.7	Confident	74.5	Confident	54 Å²	54	88.9 Å²	88.9	20%	0.204	46%	0.457	C	S	.	.	H	α-helix	trans	-73.1	-48.7	173.9	-69.7	-179	-178.5	-173.6	2.4	111.8	L85 S105 V208 A209 N210 T214 K215 I216	L85-R212 HydrophobicContact CD1-CB 4.35Å; S105-R212 PolarHBondContact OG-NH2 2.9Å; V208-R212 WeakPolarHBondContact O-CG 3.42Å; V208-R212 PolarHBondContact O-N 3.41Å; V208-R212 VanDerWaalsContact O-N 3.15Å; A209-R212 WeakPolarHBondContact O-CB 3.45Å; A209-R212 PolarHBondContact O-N 3.04Å; A209-R212 VanDerWaalsContact O-N 3.07Å; N210-R212 VanDerWaalsContact C-N 3.3Å; N210-R212 PolarHBondContact O-N 2.9Å; R212-T214 PolarHBondContact O-N 3.01Å; R212-K215 WeakPolarHBondContact O-CB 3.32Å; R212-K215 PolarHBondContact O-N 3.33Å; R212-I216 PolarHBondContact O-N 3.46Å
213	A	74.6	Confident	73.7	Confident	21 Å²	21	98.9 Å²	98.9	17%	0.174	50%	0.5	C	S	.	.	H	α-helix	trans	-59.6	-45.5	-179.5	0	0	0	0	0	112.1	L85 A209 N210 K215 I216 I217	L85-A213 HydrophobicContact CD2-CB 3.9Å; A209-A213 WeakPolarHBondContact O-CB 3.41Å; A209-A213 PolarHBondContact O-N 3.47Å; N210-A213 PolarHBondContact O-N 3.29Å; A213-K215 VanDerWaalsContact C-N 3.29Å; A213-K215 PolarHBondContact O-N 3.44Å; A213-I216 PolarHBondContact O-N 2.88Å; A213-I217 HydrophobicContact CB-CD1 4.34Å; A213-I217 WeakPolarHBondContact O-CB 3.31Å; A213-I217 WeakPolarHBondContact O-CG1 3.31Å; A213-I217 PolarHBondContact O-N 3.46Å
214	T	74	Confident	73.1	Confident	95 Å²	95	95.4 Å²	95.4	58%	0.583	49%	0.494	S	S	*	.	H	α-helix	trans	-60	-36.8	177.5	40.9	0	0	0	0	112.7	N210 Q211 R212 I216 S218	N210-T214 WeakPolarHBondContact O-CB 3.32Å; N210-T214 WeakPolarHBondContact O-CG2 3.49Å; N210-T214 PolarHBondContact O-N 3.39Å; N210-T214 PolarHBondContact O-OG1 3.08Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.42Å; Q211-T214 PolarHBondContact O-OG1 3.4Å; R212-T214 PolarHBondContact O-N 3.01Å; T214-I216 VanDerWaalsContact C-N 3.35Å; T214-I216 PolarHBondContact O-N 2.74Å; T214-S218 PolarHBondContact O-N 3.48Å
215	K	69.6	Low	72.5	Confident	154 Å²	154	96 Å²	96	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-36.5	174	-74.9	176.3	-178.6	174.3	0	112.4	Q211 R212 A213 S218	Q211-K215 WeakPolarHBondContact O-CG 3.47Å; R212-K215 WeakPolarHBondContact O-CB 3.32Å; R212-K215 PolarHBondContact O-N 3.33Å; A213-K215 VanDerWaalsContact C-N 3.29Å; A213-K215 PolarHBondContact O-N 3.44Å; K215-S218 PolarHBondContact O-OG 3.25Å
216	I	67.6	Low	72.1	Confident	52 Å²	52	98.7 Å²	98.7	27%	0.267	53%	0.53	S	S	.	.	H	α-helix	trans	-75.8	-46.8	178.9	-60.7	171.7	0	0	0	111.8	L85 M88 E89 R212 A213 T214 S218	L85-I216 HydrophobicContact CD2-CD1 3.89Å; M88-I216 HydrophobicContact CB-CD1 4.31Å; M88-I216 HydrophobicContact CE-CG2 3.61Å; E89-I216 HydrophobicContact CG-CD1 4.35Å; R212-I216 PolarHBondContact O-N 3.46Å; A213-I216 PolarHBondContact O-N 2.88Å; T214-I216 VanDerWaalsContact C-N 3.35Å; T214-I216 PolarHBondContact O-N 2.74Å; I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.11Å
217	I	64.3	Low	71.7	Confident	111 Å²	111	102.9 Å²	102.9	57%	0.569	56%	0.56	S	S	*	*	H	α-helix	trans	-68.8	-26.3	-170.4	-69.2	168.3	0	0	0	113.2	A213 K219 V220	A213-I217 HydrophobicContact CB-CD1 4.34Å; A213-I217 WeakPolarHBondContact O-CB 3.31Å; A213-I217 WeakPolarHBondContact O-CG1 3.31Å; A213-I217 PolarHBondContact O-N 3.46Å; I217-K219 PolarHBondContact O-N 3.13Å; I217-V220 PolarHBondContact O-N 3.03Å
218	S	63	Low	71.5	Confident	95 Å²	95	104.4 Å²	104.4	66%	0.664	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-10.7	-178.2	66.1	0	0	0	0	115.6	T214 K215 I216	T214-S218 PolarHBondContact O-N 3.48Å; K215-S218 PolarHBondContact O-OG 3.25Å; I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.11Å
219	K	57.5	Low	71.4	Confident	184 Å²	184	107.8 Å²	107.8	80%	0.8	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-8.2	-176.5	-69.1	-177.6	178.4	177.5	0	117.1	I217	I217-K219 PolarHBondContact O-N 3.13Å
220	V	54	Low	71.5	Confident	127 Å²	127	113.8 Å²	113.8	77%	0.77	61%	0.609	S	S	*	*			trans	-142.3	127.1	-178.4	-174.3	0	0	0	0	112.6	I217	I217-V220 PolarHBondContact O-N 3.03Å
221	K	58.9	Low	71.6	Confident	208 Å²	208	112.3 Å²	112.3	90%	0.904	60%	0.603	S	S	*	*			trans	-93.7	128.9	178.4	-66.1	-177	-178	-179	0	112.2
222	N	57.5	Low	72	Confident	141 Å²	141	110.4 Å²	110.4	75%	0.754	61%	0.607	S	S	*	*			trans	-90.3	139.1	179.9	-170.1	-4.4	0	0	0	111.9	A224	N222-A224 VanDerWaalsContact OD1-CB 3.3Å; N222-A224 WeakPolarHBondContact OD1-CB 3.46Å; N222-A224 PolarHBondContact OD1-N 2.9Å
223	K	72	Confident	72.6	Confident	213 Å²	213	113.4 Å²	113.4	93%	0.926	62%	0.623	S	S	*	*			trans	-106.1	14	175.3	-68.5	-166.1	177.7	-172.7	0	113.8
224	A	74.9	Confident	73.2	Confident	57 Å²	57	116 Å²	116	47%	0.471	63%	0.632	S	S	.	*	S	Bend	trans	-62.2	152.2	174.3	0	0	0	0	0	111.8	N222 A226	N222-A224 VanDerWaalsContact OD1-CB 3.3Å; N222-A224 WeakPolarHBondContact OD1-CB 3.46Å; N222-A224 PolarHBondContact OD1-N 2.9Å; A224-A226 PolarHBondContact O-N 3.08Å
225	P	73.6	Confident	74	Confident	122 Å²	122	116.2 Å²	116.2	79%	0.792	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-56	132.3	173.6	23.3	-33	0	0	0	110.5
226	A	75.6	Confident	74.9	Confident	57 Å²	57	114.9 Å²	114.9	47%	0.471	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-64.2	138.1	-178.7	0	0	0	0	0	110.9	A224 V228 Q229	A224-A226 PolarHBondContact O-N 3.08Å; A226-V228 VanDerWaalsContact C-N 3.26Å; A226-V228 PolarHBondContact O-N 2.78Å; A226-Q229 PolarHBondContact O-NE2 3.22Å
227	P	76.9	Confident	75.9	Confident	139 Å²	139	119.1 Å²	119.1	90%	0.903	64%	0.641	S	S	*	*	S	Bend	trans	-66.5	-29.1	-179.4	26	-33.8	0	0	0	112.4
228	V	80.7	Confident	77.2	Confident	87 Å²	87	118.8 Å²	118.8	53%	0.527	64%	0.637	S	S	.	*	S	Bend	trans	-107.5	111.6	173.8	-179.1	0	0	0	0	108.2	A226	A226-V228 VanDerWaalsContact C-N 3.26Å; A226-V228 PolarHBondContact O-N 2.78Å
229	Q	81.6	Confident	78.4	Confident	128 Å²	128	116.7 Å²	116.7	60%	0.598	63%	0.626	S	S	*	*			trans	-79.1	118.9	169	-63.1	-60.3	-47.9	0	0	107.6	A226 T231	A226-Q229 PolarHBondContact O-NE2 3.22Å; Q229-T231 VanDerWaalsContact O-CG2 3.27Å; Q229-T231 WeakPolarHBondContact O-CG2 3.44Å; Q229-T231 PolarHBondContact O-N 3.26Å
230	I	84	Confident	79.9	Confident	134 Å²	134	115.9 Å²	115.9	69%	0.687	62%	0.622	S	S	*	*			trans	-55.1	112	178.6	-66.7	166.7	0	0	0	108.3	L235	I230-L235 HydrophobicContact CG2-CD1 4.34Å; I230-L235 HydrophobicContact CG2-CD2 4.05Å; I230-L235 HydrophobicContact CG2-CG 3.98Å
231	T	86.5	Confident	81.6	Confident	66 Å²	66	116.1 Å²	116.1	41%	0.405	62%	0.615	S	S	.	*			trans	-91.6	157.3	-179.7	69.1	0	0	0	0	110.6	Q229 E233 Q234 L235	Q229-T231 VanDerWaalsContact O-CG2 3.27Å; Q229-T231 WeakPolarHBondContact O-CG2 3.44Å; Q229-T231 PolarHBondContact O-N 3.26Å; T231-E233 PolarHBondContact O-N 2.9Å; T231-Q234 PolarHBondContact O-N 2.99Å; T231-Q234 VanDerWaalsContact O-N 3.16Å; T231-Q234 PolarHBondContact OG1-N 3.46Å; T231-L235 PolarHBondContact O-N 3.47Å
232	A	87.1	Confident	82.9	Confident	73 Å²	73	113.7 Å²	113.7	60%	0.603	60%	0.6	S	S	*	*	H	α-helix	trans	-57.9	-30.8	173.4	0	0	0	0	0	112.2	L235 L236	A232-L235 PolarHBondContact O-N 2.99Å; A232-L236 WeakPolarHBondContact O-CG 3.41Å; A232-L236 PolarHBondContact O-N 3.01Å
233	E	90.2	Very high	84.2	Confident	118 Å²	118	111.1 Å²	111.1	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-43.9	176.1	-168.1	-161.5	148.3	0	0	112.3	T231 L235 L236 R237	T231-E233 PolarHBondContact O-N 2.9Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 2.75Å; E233-L236 PolarHBondContact O-N 2.93Å; E233-R237 WeakPolarHBondContact O-CB 3.39Å; E233-R237 PolarHBondContact O-N 3.2Å; E233-R237 IonicContact OE1-CZ 3.63Å; E233-R237 IonicContact OE1-NH2 3.85Å; E233-R237 PolarHBondContact OE1-NH2 3.28Å
234	Q	88.3	Confident	84.7	Confident	74 Å²	74	108.1 Å²	108.1	35%	0.346	58%	0.579	S	S	.	*	H	α-helix	trans	-60.7	-42.9	177	-78.6	177.1	-19.6	0	0	111.2	T231 L236 R237 E238	T231-Q234 PolarHBondContact O-N 2.99Å; T231-Q234 VanDerWaalsContact O-N 3.16Å; T231-Q234 PolarHBondContact OG1-N 3.46Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.31Å; Q234-R237 PolarHBondContact O-N 2.91Å; Q234-E238 WeakPolarHBondContact O-CG 3.49Å; Q234-E238 PolarHBondContact O-N 2.65Å
235	L	89.9	Confident	85.2	Confident	100 Å²	100	114.4 Å²	114.4	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-61.8	-40.6	175.6	-66.2	174	0	0	0	112.3	I230 T231 A232 E233 A239	I230-L235 HydrophobicContact CG2-CD1 4.34Å; I230-L235 HydrophobicContact CG2-CD2 4.05Å; I230-L235 HydrophobicContact CG2-CG 3.98Å; T231-L235 PolarHBondContact O-N 3.47Å; A232-L235 PolarHBondContact O-N 2.99Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 2.75Å; L235-A239 WeakPolarHBondContact O-CB 3.36Å; L235-A239 PolarHBondContact O-N 3.16Å
236	L	88.8	Confident	85.7	Confident	127 Å²	127	114 Å²	114	67%	0.665	59%	0.589	S	S	*	*	H	α-helix	trans	-68.5	-37.8	176.7	-71.8	175.7	0	0	0	112.4	A232 E233 Q234 A239 K240	A232-L236 WeakPolarHBondContact O-CG 3.41Å; A232-L236 PolarHBondContact O-N 3.01Å; E233-L236 PolarHBondContact O-N 2.93Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.31Å; L236-A239 PolarHBondContact O-N 3.48Å; L236-K240 WeakPolarHBondContact O-CB 3.21Å; L236-K240 PolarHBondContact O-N 3.03Å
237	R	89.2	Confident	86.1	Confident	141 Å²	141	118.7 Å²	118.7	53%	0.532	61%	0.605	S	S	.	*	H	α-helix	trans	-64.8	-48.8	176.5	-168.6	-178.8	-62.5	-178.8	0.7	110.9	E233 Q234 A239 K240 E241	E233-R237 WeakPolarHBondContact O-CB 3.39Å; E233-R237 PolarHBondContact O-N 3.2Å; E233-R237 IonicContact OE1-CZ 3.63Å; E233-R237 IonicContact OE1-NH2 3.85Å; E233-R237 PolarHBondContact OE1-NH2 3.28Å; Q234-R237 PolarHBondContact O-N 2.91Å; R237-A239 VanDerWaalsContact C-N 3.32Å; R237-A239 PolarHBondContact O-N 3.48Å; R237-K240 PolarHBondContact O-N 2.92Å; R237-E241 WeakPolarHBondContact O-CG 3.26Å; R237-E241 PolarHBondContact O-N 3.03Å
238	E	90.9	Very high	86.5	Confident	104 Å²	104	117.2 Å²	117.2	49%	0.486	60%	0.596	S	S	.	*	H	α-helix	trans	-60.8	-41.5	173.9	-73.6	-175.7	-175.3	0	0	111.6	Q234 K240 E241 R242	Q234-E238 WeakPolarHBondContact O-CG 3.49Å; Q234-E238 PolarHBondContact O-N 2.65Å; E238-K240 VanDerWaalsContact C-N 3.34Å; E238-K240 PolarHBondContact O-N 3.45Å; E238-E241 PolarHBondContact O-N 2.99Å; E238-R242 WeakPolarHBondContact O-CG 3.23Å; E238-R242 PolarHBondContact O-N 3.5Å; E238-R242 VanDerWaalsContact O-N 3.12Å
239	A	89.2	Confident	86.8	Confident	51 Å²	51	118.5 Å²	118.5	42%	0.421	61%	0.606	S	S	.	*	H	α-helix	trans	-61.7	-40.7	177	0	0	0	0	0	112.4	L235 L236 R237	L235-A239 WeakPolarHBondContact O-CB 3.36Å; L235-A239 PolarHBondContact O-N 3.16Å; L236-A239 PolarHBondContact O-N 3.48Å; R237-A239 VanDerWaalsContact C-N 3.32Å; R237-A239 PolarHBondContact O-N 3.48Å
240	K	88.8	Confident	86.8	Confident	167 Å²	167	117.8 Å²	117.8	73%	0.726	61%	0.612	S	S	*	*	H	α-helix	trans	-64.9	-45.5	174.8	-176.3	-175.4	176.3	-173.9	0	111.5	L236 R237 E238 R242 N243	L236-K240 WeakPolarHBondContact O-CB 3.21Å; L236-K240 PolarHBondContact O-N 3.03Å; R237-K240 PolarHBondContact O-N 2.92Å; E238-K240 VanDerWaalsContact C-N 3.34Å; E238-K240 PolarHBondContact O-N 3.45Å; K240-R242 PolarHBondContact O-N 3.21Å; K240-N243 PolarHBondContact O-N 3.08Å; K240-N243 PolarHBondContact O-OD1 3.32Å
241	E	89.1	Confident	86.9	Confident	132 Å²	132	116.4 Å²	116.4	62%	0.617	61%	0.612	S	S	*	*	H	α-helix	trans	-65.6	-24.4	-178.2	-75.3	178.5	-175.4	0	0	113.6	R237 E238 N243	R237-E241 WeakPolarHBondContact O-CG 3.26Å; R237-E241 PolarHBondContact O-N 3.03Å; E238-E241 PolarHBondContact O-N 2.99Å; E241-N243 PolarHBondContact O-N 3.48Å; E241-N243 PolarHBondContact O-ND2 2.86Å; E241-N243 VanDerWaalsContact O-ND2 3.07Å
242	R	86.9	Confident	86.8	Confident	157 Å²	157	123.5 Å²	123.5	59%	0.592	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-22	172.7	-70.9	-177.4	-175	134.6	10.3	113.4	E238 K240 L244	E238-R242 WeakPolarHBondContact O-CG 3.23Å; E238-R242 PolarHBondContact O-N 3.5Å; E238-R242 VanDerWaalsContact O-N 3.12Å; K240-R242 PolarHBondContact O-N 3.21Å; R242-L244 HydrophobicContact CB-CD1 4.27Å; R242-L244 HydrophobicContact CB-CD2 4.29Å; R242-L244 HydrophobicContact CB-CG 3.82Å; R242-L244 PolarHBondContact O-N 3.34Å
243	N	83	Confident	86.5	Confident	86 Å²	86	128.5 Å²	128.5	46%	0.46	65%	0.645	S	S	.	*			trans	48.6	32.7	175.8	-67.9	-52.4	0	0	0	114	K240 E241 E245 I246	K240-N243 PolarHBondContact O-N 3.08Å; K240-N243 PolarHBondContact O-OD1 3.32Å; E241-N243 PolarHBondContact O-N 3.48Å; E241-N243 PolarHBondContact O-ND2 2.86Å; E241-N243 VanDerWaalsContact O-ND2 3.07Å; N243-E245 PolarHBondContact O-N 3.43Å; N243-I246 HydrophobicContact CB-CB 4.26Å; N243-I246 HydrophobicContact CB-CD1 4.02Å; N243-I246 HydrophobicContact CB-CG1 4.19Å; N243-I246 PolarHBondContact O-N 3.4Å; N243-I246 WeakPolarHBondContact OD1-CD1 3.38Å
244	L	83.8	Confident	86.2	Confident	150 Å²	150	134 Å²	134	79%	0.785	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-27.7	-170.6	-65.1	173.1	0	0	0	113.4	R242	R242-L244 HydrophobicContact CB-CD1 4.27Å; R242-L244 HydrophobicContact CB-CD2 4.29Å; R242-L244 HydrophobicContact CB-CG 3.82Å; R242-L244 PolarHBondContact O-N 3.34Å
245	E	84.2	Confident	86.1	Confident	189 Å²	189	134.3 Å²	134.3	88%	0.883	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-14.5	178.8	-62.7	-177.8	176.6	0	0	113	N243 L247	N243-E245 PolarHBondContact O-N 3.43Å; E245-L247 PolarHBondContact O-N 3.45Å; E245-L247 VanDerWaalsContact O-N 3.1Å
246	I	84.5	Confident	85.8	Confident	115 Å²	115	134.1 Å²	134.1	59%	0.59	67%	0.671	S	S	*	*	S	Bend	trans	-78.4	102.5	179.4	-55.5	-172.9	0	0	0	107.9	N243	N243-I246 HydrophobicContact CB-CB 4.26Å; N243-I246 HydrophobicContact CB-CD1 4.02Å; N243-I246 HydrophobicContact CB-CG1 4.19Å; N243-I246 PolarHBondContact O-N 3.4Å; N243-I246 WeakPolarHBondContact OD1-CD1 3.38Å
247	L	84.2	Confident	85.7	Confident	154 Å²	154	131.3 Å²	131.3	81%	0.806	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.1	134.5	172.9	-67.6	172.5	0	0	0	109.7	E245	E245-L247 PolarHBondContact O-N 3.45Å; E245-L247 VanDerWaalsContact O-N 3.1Å
248	P	85.4	Confident	85.7	Confident	108 Å²	108	129.2 Å²	129.2	70%	0.701	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-59.4	143.4	173.5	26	-33.5	0	0	0	109.2
249	P	86.2	Confident	85.7	Confident	115 Å²	115	130.6 Å²	130.6	75%	0.747	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-58.3	145.2	176.3	25.5	-33.8	0	0	0	109.9
250	P	83	Confident	85.7	Confident	112 Å²	112	132 Å²	132	73%	0.727	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60	145.3	178.5	25.5	-33.8	0	0	0	110.4	K252	P250-K252 PolarHBondContact O-N 3.27Å
251	P	85.6	Confident	85.7	Confident	105 Å²	105	127 Å²	127	68%	0.682	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-60	138.1	179.2	24.9	-33.8	0	0	0	110.5	K253	P251-K253 PolarHBondContact O-N 3.17Å
252	K	84.2	Confident	85.7	Confident	215 Å²	215	128.1 Å²	128.1	94%	0.935	65%	0.645	S	S	*	*			trans	-66.5	93.7	177.8	-68.2	-179.5	178.9	178.5	0	109.9	P250	P250-K252 PolarHBondContact O-N 3.27Å
253	K	80.6	Confident	85.9	Confident	178 Å²	178	125.4 Å²	125.4	77%	0.774	64%	0.64	S	S	*	*			trans	-86.1	124.5	172.7	-63.4	-175.7	-179.9	-171.9	0	109.3	P251	P251-K253 PolarHBondContact O-N 3.17Å
254	R	84.5	Confident	86.3	Confident	234 Å²	234	125.7 Å²	125.7	88%	0.883	64%	0.635	S	S	*	*			trans	-80.9	124.1	170	-68.4	-175.5	179.4	-172.8	-0.2	107.8	S256	R254-S256 PolarHBondContact O-N 2.84Å
255	I	85.1	Confident	86.7	Confident	81 Å²	81	119.4 Å²	119.4	42%	0.415	60%	0.601	S	S	.	*			trans	-76.2	115.6	174.4	-58.6	171.6	0	0	0	106.9	E260 L261 Y264	I255-E260 HydrophobicContact CG2-CB 4.01Å; I255-L261 HydrophobicContact CD1-CD1 4.15Å; I255-L261 HydrophobicContact CG2-CB 3.78Å; I255-L261 HydrophobicContact CG2-CD1 4.3Å; I255-Y264 HydrophobicContact CD1-CD1 4.05Å; I255-Y264 HydrophobicContact CD1-CD2 4.42Å; I255-Y264 HydrophobicContact CD1-CG 3.93Å
256	S	84.2	Confident	87.2	Confident	95 Å²	95	117.8 Å²	117.8	66%	0.664	59%	0.588	S	S	*	*			trans	-100	-34.7	-171	63.2	0	0	0	0	113.3	R254 E260	R254-S256 PolarHBondContact O-N 2.84Å; S256-E260 PolarHBondContact N-OE2 3Å; S256-E260 PolarHBondContact OG-OE2 2.87Å
257	D	87.6	Confident	87.6	Confident	68 Å²	68	118 Å²	118	36%	0.364	59%	0.585	S	S	.	*	S	Bend	trans	-129.5	166.6	-175.4	70.6	18.5	0	0	0	113.1	E259 E260 L261	D257-E259 PolarHBondContact O-N 2.77Å; D257-E259 PolarHBondContact OD1-N 3.43Å; D257-E259 VanDerWaalsContact OD1-N 3.1Å; D257-E260 VanDerWaalsContact OD1-CB 3.22Å; D257-E260 WeakPolarHBondContact OD1-CB 3.25Å; D257-E260 VanDerWaalsContact OD1-CG 3.24Å; D257-E260 WeakPolarHBondContact OD1-CG 3.33Å; D257-E260 PolarHBondContact OD1-N 2.76Å; D257-L261 PolarHBondContact O-N 3.38Å; D257-L261 VanDerWaalsContact O-N 3.14Å
258	P	89	Confident	88	Confident	97 Å²	97	114.1 Å²	114.1	63%	0.63	56%	0.56	S	S	*	*	H	α-helix	trans	-66.7	-14.6	176.7	-22.8	34.9	0	0	0	114.5	R262	P258-R262 WeakPolarHBondContact O-CB 3.19Å; P258-R262 VanDerWaalsContact O-CG 3.25Å; P258-R262 WeakPolarHBondContact O-CG 3.33Å; P258-R262 PolarHBondContact O-N 3.13Å; P258-R262 PolarHBondContact O-NE 3.32Å
259	E	89.6	Confident	88.6	Confident	134 Å²	134	110.5 Å²	110.5	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-81.7	-46.6	178.6	-170.2	163.1	-179.9	0	0	111.1	D257 L261 R262 E263	D257-E259 PolarHBondContact O-N 2.77Å; D257-E259 PolarHBondContact OD1-N 3.43Å; D257-E259 VanDerWaalsContact OD1-N 3.1Å; E259-L261 VanDerWaalsContact C-N 3.27Å; E259-L261 PolarHBondContact O-N 2.92Å; E259-R262 WeakPolarHBondContact O-CB 3.11Å; E259-R262 PolarHBondContact O-N 3.48Å; E259-R262 VanDerWaalsContact O-N 3.12Å; E259-E263 PolarHBondContact O-N 3.08Å
260	E	89.2	Confident	89	Confident	79 Å²	79	110.3 Å²	110.3	37%	0.369	52%	0.519	S	S	.	.	H	α-helix	trans	-57.6	-39.8	169	-72.1	-178.3	159	0	0	111.2	I255 S256 D257 E263 Y264	I255-E260 HydrophobicContact CG2-CB 4.01Å; S256-E260 PolarHBondContact N-OE2 3Å; S256-E260 PolarHBondContact OG-OE2 2.87Å; D257-E260 VanDerWaalsContact OD1-CB 3.22Å; D257-E260 WeakPolarHBondContact OD1-CB 3.25Å; D257-E260 VanDerWaalsContact OD1-CG 3.24Å; D257-E260 WeakPolarHBondContact OD1-CG 3.33Å; D257-E260 PolarHBondContact OD1-N 2.76Å; E260-E263 PolarHBondContact O-N 2.95Å; E260-Y264 WeakPolarHBondContact O-CB 3.37Å; E260-Y264 PolarHBondContact O-N 2.94Å
261	L	89	Confident	89.6	Confident	64 Å²	64	109.1 Å²	109.1	34%	0.335	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-45.2	174.4	-176.3	62.3	0	0	0	111.4	I255 D257 E259 E263 Y264 Q265	I255-L261 HydrophobicContact CD1-CD1 4.15Å; I255-L261 HydrophobicContact CG2-CB 3.78Å; I255-L261 HydrophobicContact CG2-CD1 4.3Å; D257-L261 PolarHBondContact O-N 3.38Å; D257-L261 VanDerWaalsContact O-N 3.14Å; E259-L261 VanDerWaalsContact C-N 3.27Å; E259-L261 PolarHBondContact O-N 2.92Å; L261-E263 VanDerWaalsContact C-N 3.34Å; L261-E263 PolarHBondContact O-N 3.36Å; L261-Y264 PolarHBondContact O-N 3.13Å; L261-Q265 HydrophobicContact CD1-CG 4.44Å; L261-Q265 WeakPolarHBondContact O-CB 3.36Å; L261-Q265 VanDerWaalsContact O-CG 3.25Å; L261-Q265 WeakPolarHBondContact O-CG 3.29Å; L261-Q265 PolarHBondContact O-N 2.75Å
262	R	90.8	Very high	90.1	Very high	154 Å²	154	105.1 Å²	105.1	58%	0.581	48%	0.476	S	S	*	.	H	α-helix	trans	-63.6	-39.3	177	-79.5	179	-69.8	155.8	1.1	111.7	P258 E259 Q265 Y266	P258-R262 WeakPolarHBondContact O-CB 3.19Å; P258-R262 VanDerWaalsContact O-CG 3.25Å; P258-R262 WeakPolarHBondContact O-CG 3.33Å; P258-R262 PolarHBondContact O-N 3.13Å; P258-R262 PolarHBondContact O-NE 3.32Å; E259-R262 WeakPolarHBondContact O-CB 3.11Å; E259-R262 PolarHBondContact O-N 3.48Å; E259-R262 VanDerWaalsContact O-N 3.12Å; R262-Q265 PolarHBondContact O-N 3.33Å; R262-Y266 WeakPolarHBondContact O-CB 3.4Å; R262-Y266 PolarHBondContact O-N 3.4Å
263	E	90.9	Very high	90.6	Very high	101 Å²	101	97.1 Å²	97.1	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-45	176.2	-164	-166.7	172.2	0	0	111.5	E259 E260 L261 Y266 K267	E259-E263 PolarHBondContact O-N 3.08Å; E260-E263 PolarHBondContact O-N 2.95Å; L261-E263 VanDerWaalsContact C-N 3.34Å; L261-E263 PolarHBondContact O-N 3.36Å; E263-Y266 PolarHBondContact O-N 3.47Å; E263-K267 WeakPolarHBondContact O-CG 3.34Å; E263-K267 PolarHBondContact O-N 3.42Å; E263-K267 WeakPolarHBondContact OE1-CE 3.22Å; E263-K267 IonicContact OE1-NZ 3.44Å; E263-K267 PolarHBondContact OE1-NZ 3.09Å
264	Y	91	Very high	91.3	Very high	91 Å²	91	90.7 Å²	90.7	36%	0.357	42%	0.416	S	S	.	.	H	α-helix	trans	-57.5	-49.7	173.8	170.5	-99.3	0	0	0	111.2	I255 E260 L261 Y266 K267 R268 W292	I255-Y264 HydrophobicContact CD1-CD1 4.05Å; I255-Y264 HydrophobicContact CD1-CD2 4.42Å; I255-Y264 HydrophobicContact CD1-CG 3.93Å; E260-Y264 WeakPolarHBondContact O-CB 3.37Å; E260-Y264 PolarHBondContact O-N 2.94Å; L261-Y264 PolarHBondContact O-N 3.13Å; Y264-Y266 VanDerWaalsContact C-N 3.35Å; Y264-Y266 PolarHBondContact O-N 3.45Å; Y264-K267 PolarHBondContact O-N 3.28Å; Y264-R268 HydrophobicContact CD2-CG 4.24Å; Y264-R268 HydrophobicContact CE1-CG 4.12Å; Y264-R268 HydrophobicContact CE2-CG 3.78Å; Y264-R268 WeakPolarHBondContact O-CG 3.31Å; Y264-R268 PolarHBondContact O-N 3Å; Y264-W292 HydrophobicContact CE1-CZ2 4.05Å
265	Q	92.1	Very high	91.8	Very high	18 Å²	18	82 Å²	82	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-61.3	-42.5	178.7	-74.2	178.8	0.3	0	0	112	L261 R262 R268 R269 W292 Q296	L261-Q265 HydrophobicContact CD1-CG 4.44Å; L261-Q265 WeakPolarHBondContact O-CB 3.36Å; L261-Q265 VanDerWaalsContact O-CG 3.25Å; L261-Q265 WeakPolarHBondContact O-CG 3.29Å; L261-Q265 PolarHBondContact O-N 2.75Å; R262-Q265 PolarHBondContact O-N 3.33Å; Q265-R268 PolarHBondContact O-N 3.02Å; Q265-R269 VanDerWaalsContact O-CB 3.3Å; Q265-R269 WeakPolarHBondContact O-CB 3.35Å; Q265-R269 WeakPolarHBondContact O-CG 3.34Å; Q265-R269 PolarHBondContact O-N 3.06Å; Q265-W292 HydrophobicContact CB-CH2 4.08Å; Q265-W292 HydrophobicContact CG-CH2 4.16Å; Q265-W292 HydrophobicContact CG-CZ2 4.4Å; Q265-Q296 HydrophobicContact CG-CG 4.45Å; Q265-Q296 VanDerWaalsContact NE2-OE1 3.1Å
266	Y	93.7	Very high	92.3	Very high	155 Å²	155	78.5 Å²	78.5	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-61	-46.9	176.9	175.2	-102.6	0	0	0	111.9	R262 E263 Y264 R268 R269 K270	R262-Y266 WeakPolarHBondContact O-CB 3.4Å; R262-Y266 PolarHBondContact O-N 3.4Å; E263-Y266 PolarHBondContact O-N 3.47Å; Y264-Y266 VanDerWaalsContact C-N 3.35Å; Y264-Y266 PolarHBondContact O-N 3.45Å; Y266-R268 PolarHBondContact O-N 3.42Å; Y266-R269 PolarHBondContact O-N 2.75Å; Y266-K270 WeakPolarHBondContact O-CB 3.34Å; Y266-K270 PolarHBondContact O-N 3.19Å
267	K	93.4	Very high	92.8	Very high	120 Å²	120	82.5 Å²	82.5	52%	0.522	37%	0.37	S	S	.	.	H	α-helix	trans	-60.2	-45.9	178.2	-74.3	176.1	-176.4	166	0	111.7	E263 Y264 K270 E271	E263-K267 WeakPolarHBondContact O-CG 3.34Å; E263-K267 PolarHBondContact O-N 3.42Å; E263-K267 WeakPolarHBondContact OE1-CE 3.22Å; E263-K267 IonicContact OE1-NZ 3.44Å; E263-K267 PolarHBondContact OE1-NZ 3.09Å; Y264-K267 PolarHBondContact O-N 3.28Å; K267-K270 PolarHBondContact O-N 2.68Å; K267-E271 PolarHBondContact O-N 2.98Å
268	R	93.7	Very high	93.1	Very high	73 Å²	73	86.6 Å²	86.6	28%	0.275	38%	0.384	S	S	.	.	H	α-helix	trans	-68.2	-43.6	179	-68.3	-67.3	-74.4	168.8	-9.2	112.6	Y264 Q265 Y266 K270 E271 F272 W292	Y264-R268 HydrophobicContact CD2-CG 4.24Å; Y264-R268 HydrophobicContact CE1-CG 4.12Å; Y264-R268 HydrophobicContact CE2-CG 3.78Å; Y264-R268 WeakPolarHBondContact O-CG 3.31Å; Y264-R268 PolarHBondContact O-N 3Å; Q265-R268 PolarHBondContact O-N 3.02Å; Y266-R268 PolarHBondContact O-N 3.42Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.45Å; R268-E271 IonicContact CZ-OE2 3.2Å; R268-E271 IonicContact NH1-OE1 3.24Å; R268-E271 PolarHBondContact NH1-OE1 3.33Å; R268-E271 IonicContact NH1-OE2 3.13Å; R268-E271 PolarHBondContact NH1-OE2 3.47Å; R268-E271 WeakPolarHBondContact O-CB 3.47Å; R268-E271 PolarHBondContact O-N 3.27Å; R268-F272 WeakPolarHBondContact O-CD2 3.31Å; R268-F272 PolarHBondContact O-N 3.39Å; R268-W292 HydrophobicContact CB-CH2 3.78Å; R268-W292 HydrophobicContact CB-CZ2 3.41Å; R268-W292 VanDerWaalsContact CB-CZ2 3.41Å; R268-W292 HydrophobicContact CB-CZ3 4.49Å; R268-W292 HydrophobicContact CG-CZ2 4.01Å
269	R	96.2	Very high	93.2	Very high	31 Å²	31	86.2 Å²	86.2	12%	0.117	38%	0.377	C	S	.	.	H	α-helix	trans	-57.9	-45.2	173.7	-75.5	172.6	-179.5	133.7	7.4	111.5	Q265 Y266 E271 F272 E273 Y289 W292 E293	Q265-R269 VanDerWaalsContact O-CB 3.3Å; Q265-R269 WeakPolarHBondContact O-CB 3.35Å; Q265-R269 WeakPolarHBondContact O-CG 3.34Å; Q265-R269 PolarHBondContact O-N 3.06Å; Y266-R269 PolarHBondContact O-N 2.75Å; R269-E271 VanDerWaalsContact C-N 3.34Å; R269-E271 PolarHBondContact O-N 3.34Å; R269-F272 PolarHBondContact O-N 3.36Å; R269-E273 WeakPolarHBondContact O-CB 3.48Å; R269-E273 VanDerWaalsContact O-CG 3.31Å; R269-E273 WeakPolarHBondContact O-CG 3.42Å; R269-E273 PolarHBondContact O-N 3.48Å; R269-Y289 HydrophobicContact CG-CE2 4.19Å; R269-W292 HydrophobicContact CG-CH2 3.87Å; R269-W292 HydrophobicContact CG-CZ3 3.52Å; R269-E293 WeakPolarHBondContact CD-OE1 3.4Å; R269-E293 WeakPolarHBondContact CG-OE1 3.44Å; R269-E293 IonicContact CZ-OE1 2.77Å; R269-E293 IonicContact CZ-OE2 3.66Å; R269-E293 IonicContact NE-OE1 2.74Å; R269-E293 PolarHBondContact NE-OE1 2.93Å; R269-E293 IonicContact NE-OE2 3.52Å; R269-E293 PolarHBondContact NE-OE2 3.34Å; R269-E293 IonicContact NH2-OE1 3.85Å; R269-E293 IonicContact NH2-OE2 3.09Å; R269-E293 PolarHBondContact NH2-OE2 3.23Å
270	K	95.7	Very high	93.3	Very high	111 Å²	111	87.6 Å²	87.6	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-45.4	176.5	-174.9	-179.1	176.8	-175.7	0	111.3	Y266 K267 R268 F272 E273 D274	Y266-K270 WeakPolarHBondContact O-CB 3.34Å; Y266-K270 PolarHBondContact O-N 3.19Å; K267-K270 PolarHBondContact O-N 2.68Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.45Å; K270-F272 PolarHBondContact O-N 3.05Å; K270-E273 PolarHBondContact O-N 2.8Å; K270-D274 VanDerWaalsContact O-CB 3.25Å; K270-D274 WeakPolarHBondContact O-CB 3.26Å; K270-D274 PolarHBondContact O-N 3.08Å
271	E	94.9	Very high	93.3	Very high	87 Å²	87	88.6 Å²	88.6	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-58.5	-47.4	176.1	-171.5	-169.5	161.4	0	0	112	K267 R268 R269 N275	K267-E271 PolarHBondContact O-N 2.98Å; R268-E271 IonicContact CZ-OE2 3.2Å; R268-E271 IonicContact NH1-OE1 3.24Å; R268-E271 PolarHBondContact NH1-OE1 3.33Å; R268-E271 IonicContact NH1-OE2 3.13Å; R268-E271 PolarHBondContact NH1-OE2 3.47Å; R268-E271 WeakPolarHBondContact O-CB 3.47Å; R268-E271 PolarHBondContact O-N 3.27Å; R269-E271 VanDerWaalsContact C-N 3.34Å; R269-E271 PolarHBondContact O-N 3.34Å; E271-N275 WeakPolarHBondContact O-CB 3.34Å; E271-N275 PolarHBondContact O-N 3.02Å; E271-N275 PolarHBondContact O-ND2 3.11Å; E271-N275 VanDerWaalsContact O-ND2 3.15Å
272	F	96.3	Very high	93.4	Very high	22 Å²	22	87.3 Å²	87.3	10%	0.096	39%	0.388	C	S	.	.	H	α-helix	trans	-64.6	-47	177.1	-76.5	-62.1	0	0	0	112.8	R268 R269 K270 D274 N275 I276 R288 Y289 W292	R268-F272 WeakPolarHBondContact O-CD2 3.31Å; R268-F272 PolarHBondContact O-N 3.39Å; R269-F272 PolarHBondContact O-N 3.36Å; K270-F272 PolarHBondContact O-N 3.05Å; F272-D274 VanDerWaalsContact C-N 3.35Å; F272-D274 PolarHBondContact O-N 3.37Å; F272-N275 WeakPolarHBondContact O-CB 3.47Å; F272-N275 PolarHBondContact O-N 3.3Å; F272-I276 WeakPolarHBondContact O-CG1 3.39Å; F272-I276 PolarHBondContact O-N 2.83Å; F272-R288 HydrophobicContact CE1-CB 4.07Å; F272-Y289 HydrophobicContact CB-CD1 4.14Å; F272-Y289 HydrophobicContact CB-CD2 3.48Å; F272-Y289 VanDerWaalsContact CB-CD2 3.48Å; F272-Y289 HydrophobicContact CB-CE2 3.95Å; F272-Y289 HydrophobicContact CB-CG 3.59Å; F272-Y289 HydrophobicContact CD1-CD2 4.38Å; F272-Y289 HydrophobicContact CD1-CG 4.34Å; F272-Y289 AromaticContact CD2-CD2 3.57Å; F272-Y289 HydrophobicContact CD2-CD2 3.57Å; F272-Y289 HydrophobicContact CD2-CE2 4.2Å; F272-Y289 HydrophobicContact CD2-CG 4.31Å; F272-Y289 HydrophobicContact CE2-CD2 4.39Å; F272-Y289 AromaticContact CG-CD2 3.58Å; F272-Y289 HydrophobicContact CG-CD2 3.58Å; F272-Y289 HydrophobicContact CG-CE2 4.36Å; F272-Y289 AromaticContact CG-CG 3.86Å; F272-Y289 HydrophobicContact CG-CG 3.86Å; F272-W292 HydrophobicContact CD2-CD2 4.27Å; F272-W292 HydrophobicContact CD2-CE3 4.1Å; F272-W292 HydrophobicContact CE2-CB 3.78Å; F272-W292 AromaticContact CE2-CD2 3.67Å; F272-W292 HydrophobicContact CE2-CD2 3.67Å; F272-W292 AromaticContact CE2-CE3 3.96Å; F272-W292 HydrophobicContact CE2-CE3 3.96Å; F272-W292 AromaticContact CE2-CG 3.58Å; F272-W292 HydrophobicContact CE2-CG 3.58Å; F272-W292 HydrophobicContact CZ-CB 3.95Å; F272-W292 HydrophobicContact CZ-CG 4.12Å
273	E	96	Very high	93.5	Very high	47 Å²	47	81.3 Å²	81.3	22%	0.22	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-38.9	178.2	-72.6	-70.1	176.2	0	0	111.9	R269 K270 I276 R277 Y289 R308	R269-E273 WeakPolarHBondContact O-CB 3.48Å; R269-E273 VanDerWaalsContact O-CG 3.31Å; R269-E273 WeakPolarHBondContact O-CG 3.42Å; R269-E273 PolarHBondContact O-N 3.48Å; K270-E273 PolarHBondContact O-N 2.8Å; E273-I276 PolarHBondContact O-N 3.19Å; E273-R277 VanDerWaalsContact O-CB 3.28Å; E273-R277 WeakPolarHBondContact O-CB 3.22Å; E273-R277 PolarHBondContact O-N 3.23Å; E273-Y289 HydrophobicContact CG-CE1 4.24Å; E273-Y289 VanDerWaalsContact OE1-CE1 3.3Å; E273-Y289 WeakPolarHBondContact OE1-CE1 3.37Å; E273-Y289 PolarHBondContact OE1-OH 3.16Å; E273-R308 IonicContact OE1-CZ 3.49Å; E273-R308 IonicContact OE1-NH1 3.41Å; E273-R308 PolarHBondContact OE1-NH1 3.09Å; E273-R308 IonicContact OE1-NH2 2.74Å; E273-R308 PolarHBondContact OE1-NH2 3.02Å; E273-R308 IonicContact OE2-CZ 3.96Å; E273-R308 IonicContact OE2-NH1 3.5Å; E273-R308 IonicContact OE2-NH2 3.57Å; E273-R308 PolarHBondContact OE2-NH2 3.33Å
274	D	94.9	Very high	93.7	Very high	42 Å²	42	79.6 Å²	79.6	23%	0.225	37%	0.365	C	S	.	.	H	α-helix	trans	-67	-38.7	175	-73.5	-20.4	0	0	0	111	K270 F272 R277 K278	K270-D274 VanDerWaalsContact O-CB 3.25Å; K270-D274 WeakPolarHBondContact O-CB 3.26Å; K270-D274 PolarHBondContact O-N 3.08Å; F272-D274 VanDerWaalsContact C-N 3.35Å; F272-D274 PolarHBondContact O-N 3.37Å; D274-R277 PolarHBondContact O-N 3.16Å; D274-R277 IonicContact OD1-CZ 3.3Å; D274-R277 IonicContact OD1-NH1 3.99Å; D274-R277 PolarHBondContact OD1-NH1 3.14Å; D274-R277 IonicContact OD1-NH2 2.75Å; D274-K278 WeakPolarHBondContact O-CB 3.29Å; D274-K278 VanDerWaalsContact O-CG 3.25Å; D274-K278 WeakPolarHBondContact O-CG 3.27Å; D274-K278 PolarHBondContact O-N 2.89Å
275	N	95.4	Very high	93.9	Very high	53 Å²	53	76.3 Å²	76.3	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-39.3	174.3	-75	-26.8	0	0	0	112.5	E271 F272 N279	E271-N275 WeakPolarHBondContact O-CB 3.34Å; E271-N275 PolarHBondContact O-N 3.02Å; E271-N275 PolarHBondContact O-ND2 3.11Å; E271-N275 VanDerWaalsContact O-ND2 3.15Å; F272-N275 WeakPolarHBondContact O-CB 3.47Å; F272-N275 PolarHBondContact O-N 3.3Å; N275-N279 PolarHBondContact O-N 3.47Å
276	I	94.8	Very high	94.1	Very high	6 Å²	6	76 Å²	76	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-68.9	-39.6	174.5	-73	167.7	0	0	0	110.8	F272 E273 K278 N279 R280 N285 W286 Y289	F272-I276 WeakPolarHBondContact O-CG1 3.39Å; F272-I276 PolarHBondContact O-N 2.83Å; E273-I276 PolarHBondContact O-N 3.19Å; I276-K278 VanDerWaalsContact C-N 3.34Å; I276-K278 PolarHBondContact O-N 3.14Å; I276-N279 CarbonylContact O-C 3.22Å; I276-N279 VanDerWaalsContact O-C 3.22Å; I276-N279 PolarHBondContact O-N 3.03Å; I276-R280 WeakPolarHBondContact O-CA 3.35Å; I276-R280 PolarHBondContact O-N 3.31Å; I276-N285 HydrophobicContact CG1-CB 4.17Å; I276-W286 HydrophobicContact CD1-CD2 4.03Å; I276-W286 HydrophobicContact CD1-CE3 3.78Å; I276-W286 HydrophobicContact CD1-CZ3 4.05Å; I276-W286 HydrophobicContact CG1-CD2 4.27Å; I276-W286 HydrophobicContact CG1-CE3 4.47Å; I276-W286 HydrophobicContact CG2-CD2 4.29Å; I276-W286 HydrophobicContact CG2-CE3 4.39Å; I276-W286 HydrophobicContact CG2-CH2 3.41Å; I276-W286 VanDerWaalsContact CG2-CH2 3.41Å; I276-W286 HydrophobicContact CG2-CZ2 3.25Å; I276-W286 HydrophobicContact CG2-CZ3 3.98Å; I276-Y289 HydrophobicContact CD1-CD1 3.5Å; I276-Y289 HydrophobicContact CD1-CE1 4.25Å; I276-Y289 HydrophobicContact CD1-CG 4.28Å
277	R	93.8	Very high	94.2	Very high	180 Å²	180	69.9 Å²	69.9	68%	0.679	33%	0.33	S	S	*	.	H	α-helix	trans	-63.7	-40.5	176.7	-167.4	-175.6	-58.3	128.8	10.4	111.5	E273 D274	E273-R277 VanDerWaalsContact O-CB 3.28Å; E273-R277 WeakPolarHBondContact O-CB 3.22Å; E273-R277 PolarHBondContact O-N 3.23Å; D274-R277 PolarHBondContact O-N 3.16Å; D274-R277 IonicContact OD1-CZ 3.3Å; D274-R277 IonicContact OD1-NH1 3.99Å; D274-R277 PolarHBondContact OD1-NH1 3.14Å; D274-R277 IonicContact OD1-NH2 2.75Å
278	K	93.8	Very high	94.3	Very high	154 Å²	154	71.6 Å²	71.6	67%	0.67	33%	0.333	S	S	*	.	H	α-helix	trans	-67.7	-45.1	174.5	-71.1	171.1	-173.9	177.7	0	111.7	D274 I276	D274-K278 WeakPolarHBondContact O-CB 3.29Å; D274-K278 VanDerWaalsContact O-CG 3.25Å; D274-K278 WeakPolarHBondContact O-CG 3.27Å; D274-K278 PolarHBondContact O-N 2.89Å; I276-K278 VanDerWaalsContact C-N 3.34Å; I276-K278 PolarHBondContact O-N 3.14Å
279	N	92.2	Very high	94.5	Very high	89 Å²	89	68.6 Å²	68.6	48%	0.476	32%	0.321	S	S	.	.			trans	-127.1	70.5	-172.1	-68.7	-35.4	0	0	0	111.5	N275 I276 S281 S282	N275-N279 PolarHBondContact O-N 3.47Å; I276-N279 CarbonylContact O-C 3.22Å; I276-N279 VanDerWaalsContact O-C 3.22Å; I276-N279 PolarHBondContact O-N 3.03Å; N279-S281 VanDerWaalsContact C-N 3.26Å; N279-S281 PolarHBondContact O-N 3.34Å; N279-S282 PolarHBondContact O-N 3.22Å; N279-S282 VanDerWaalsContact O-N 3.16Å
280	R	90.8	Very high	94.5	Very high	162 Å²	162	67.1 Å²	67.1	61%	0.611	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.9	-175.2	-172.8	173.5	-178.7	172.4	0.2	113.4	I276 W286 V312	I276-R280 WeakPolarHBondContact O-CA 3.35Å; I276-R280 PolarHBondContact O-N 3.31Å; R280-W286 HydrophobicContact CG-CZ2 4.38Å; R280-W286 PolarHBondContact O-NE1 3.41Å; R280-V312 HydrophobicContact CG-CG1 4.42Å; R280-V312 HydrophobicContact CG-CG2 4.01Å
281	S	89.8	Confident	94.5	Very high	100 Å²	100	65.5 Å²	65.5	70%	0.699	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.9	-179	55.5	0	0	0	0	114.3	N279 I283	N279-S281 VanDerWaalsContact C-N 3.26Å; N279-S281 PolarHBondContact O-N 3.34Å; S281-I283 PolarHBondContact O-N 2.96Å
282	S	91.5	Very high	94.5	Very high	37 Å²	37	61.9 Å²	61.9	26%	0.259	29%	0.291	S	S	.	.			trans	-77	97	-175.7	-178.7	0	0	0	0	111	N279 P284 N285 W286	N279-S282 PolarHBondContact O-N 3.22Å; N279-S282 VanDerWaalsContact O-N 3.16Å; S282-P284 VanDerWaalsContact C-CD 3.45Å; S282-P284 VanDerWaalsContact C-N 3.35Å; S282-N285 WeakPolarHBondContact O-CB 3.46Å; S282-N285 PolarHBondContact O-N 3.3Å; S282-W286 VanDerWaalsContact O-CD1 3.26Å
283	I	92.7	Very high	94.5	Very high	29 Å²	29	60.8 Å²	60.8	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-57.2	-38.3	179.5	-61.3	174	0	0	0	113.1	S281 N285 W286 I287 A313 N316 I319	S281-I283 PolarHBondContact O-N 2.96Å; I283-N285 PolarHBondContact O-N 3.4Å; I283-W286 WeakPolarHBondContact O-CB 3.47Å; I283-W286 PolarHBondContact O-N 2.94Å; I283-W286 VanDerWaalsContact O-N 3.15Å; I283-I287 HydrophobicContact CG2-CD1 3.71Å; I283-I287 HydrophobicContact CG2-CG1 4.15Å; I283-I287 WeakPolarHBondContact O-CG1 3.25Å; I283-I287 PolarHBondContact O-N 3.28Å; I283-A313 HydrophobicContact CD1-CB 3.98Å; I283-A313 HydrophobicContact CG1-CB 4.41Å; I283-N316 HydrophobicContact CD1-CB 3.66Å; I283-N316 WeakPolarHBondContact CD1-ND2 3.29Å; I283-I319 HydrophobicContact CD1-CD1 4.12Å; I283-I319 HydrophobicContact CG1-CD1 4.11Å; I283-I319 HydrophobicContact CG2-CD1 3.79Å; I283-I319 HydrophobicContact CG2-CG1 3.54Å
284	P	95.1	Very high	94.5	Very high	64 Å²	64	59.5 Å²	59.5	42%	0.416	28%	0.281	S	S	.	.	H	α-helix	trans	-57.2	-33	173.7	-27.9	36.3	0	0	0	114.1	S282 R288	S282-P284 VanDerWaalsContact C-CD 3.45Å; S282-P284 VanDerWaalsContact C-N 3.35Å; P284-R288 WeakPolarHBondContact O-CB 3.3Å; P284-R288 VanDerWaalsContact O-CG 3.23Å; P284-R288 WeakPolarHBondContact O-CG 3.38Å; P284-R288 PolarHBondContact O-N 2.89Å
285	N	95.1	Very high	94.5	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-43.2	178	-67.3	-11.6	0	0	0	110.9	I276 S282 I283 Y289	I276-N285 HydrophobicContact CG1-CB 4.17Å; S282-N285 WeakPolarHBondContact O-CB 3.46Å; S282-N285 PolarHBondContact O-N 3.3Å; I283-N285 PolarHBondContact O-N 3.4Å; N285-Y289 WeakPolarHBondContact O-CB 3.31Å; N285-Y289 PolarHBondContact O-N 3.22Å
286	W	96.5	Very high	94.3	Very high	10 Å²	10	64.4 Å²	64.4	4%	0.038	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-48.6	175.1	-66.3	100.4	0	0	0	112	I276 R280 S282 I283 Y289 A290 V305 R308 A309 V312	I276-W286 HydrophobicContact CD1-CD2 4.03Å; I276-W286 HydrophobicContact CD1-CE3 3.78Å; I276-W286 HydrophobicContact CD1-CZ3 4.05Å; I276-W286 HydrophobicContact CG1-CD2 4.27Å; I276-W286 HydrophobicContact CG1-CE3 4.47Å; I276-W286 HydrophobicContact CG2-CD2 4.29Å; I276-W286 HydrophobicContact CG2-CE3 4.39Å; I276-W286 HydrophobicContact CG2-CH2 3.41Å; I276-W286 VanDerWaalsContact CG2-CH2 3.41Å; I276-W286 HydrophobicContact CG2-CZ2 3.25Å; I276-W286 HydrophobicContact CG2-CZ3 3.98Å; R280-W286 HydrophobicContact CG-CZ2 4.38Å; R280-W286 PolarHBondContact O-NE1 3.41Å; S282-W286 VanDerWaalsContact O-CD1 3.26Å; I283-W286 WeakPolarHBondContact O-CB 3.47Å; I283-W286 PolarHBondContact O-N 2.94Å; I283-W286 VanDerWaalsContact O-N 3.15Å; W286-Y289 PolarHBondContact O-N 2.84Å; W286-A290 WeakPolarHBondContact O-CB 3.34Å; W286-A290 PolarHBondContact O-N 2.91Å; W286-V305 HydrophobicContact CE3-CG1 3.95Å; W286-R308 HydrophobicContact CE3-CB 4.42Å; W286-R308 HydrophobicContact CH2-CB 3.91Å; W286-R308 HydrophobicContact CZ3-CB 3.53Å; W286-A309 HydrophobicContact CB-CB 3.71Å; W286-A309 HydrophobicContact CD2-CB 3.81Å; W286-A309 HydrophobicContact CE3-CB 3.89Å; W286-A309 HydrophobicContact CG-CB 3.75Å; W286-V312 HydrophobicContact CZ2-CG2 3.95Å
287	I	95.8	Very high	94.1	Very high	28 Å²	28	66.8 Å²	66.8	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-44.7	-179.1	-66	173.5	0	0	0	111	I283 Y289 A290 K291 Q322	I283-I287 HydrophobicContact CG2-CD1 3.71Å; I283-I287 HydrophobicContact CG2-CG1 4.15Å; I283-I287 WeakPolarHBondContact O-CG1 3.25Å; I283-I287 PolarHBondContact O-N 3.28Å; I287-Y289 VanDerWaalsContact C-N 3.33Å; I287-Y289 PolarHBondContact O-N 3.32Å; I287-A290 PolarHBondContact O-N 3.28Å; I287-K291 HydrophobicContact CG2-CD 4.21Å; I287-K291 HydrophobicContact CG2-CG 4.42Å; I287-K291 WeakPolarHBondContact O-CB 3.3Å; I287-K291 WeakPolarHBondContact O-CG 3.29Å; I287-K291 PolarHBondContact O-N 3.39Å; I287-Q322 HydrophobicContact CD1-CG 4.29Å; I287-Q322 HydrophobicContact CG2-CG 4.18Å
288	R	95.8	Very high	94.1	Very high	156 Å²	156	62 Å²	62	59%	0.589	31%	0.312	S	S	*	.	H	α-helix	trans	-61.8	-41.3	177.4	-72.6	179.9	-147.8	168.4	4.9	111.7	F272 P284 W292	F272-R288 HydrophobicContact CE1-CB 4.07Å; P284-R288 WeakPolarHBondContact O-CB 3.3Å; P284-R288 VanDerWaalsContact O-CG 3.23Å; P284-R288 WeakPolarHBondContact O-CG 3.38Å; P284-R288 PolarHBondContact O-N 2.89Å; R288-W292 WeakPolarHBondContact O-CB 3.25Å; R288-W292 PolarHBondContact O-N 2.89Å
289	Y	96.6	Very high	94.1	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-45.4	177.8	-178.7	-151.9	0	0	0	111.8	R269 F272 E273 I276 N285 W286 I287 K291 W292 E293 V305	R269-Y289 HydrophobicContact CG-CE2 4.19Å; F272-Y289 HydrophobicContact CB-CD1 4.14Å; F272-Y289 HydrophobicContact CB-CD2 3.48Å; F272-Y289 VanDerWaalsContact CB-CD2 3.48Å; F272-Y289 HydrophobicContact CB-CE2 3.95Å; F272-Y289 HydrophobicContact CB-CG 3.59Å; F272-Y289 HydrophobicContact CD1-CD2 4.38Å; F272-Y289 HydrophobicContact CD1-CG 4.34Å; F272-Y289 AromaticContact CD2-CD2 3.57Å; F272-Y289 HydrophobicContact CD2-CD2 3.57Å; F272-Y289 HydrophobicContact CD2-CE2 4.2Å; F272-Y289 HydrophobicContact CD2-CG 4.31Å; F272-Y289 HydrophobicContact CE2-CD2 4.39Å; F272-Y289 AromaticContact CG-CD2 3.58Å; F272-Y289 HydrophobicContact CG-CD2 3.58Å; F272-Y289 HydrophobicContact CG-CE2 4.36Å; F272-Y289 AromaticContact CG-CG 3.86Å; F272-Y289 HydrophobicContact CG-CG 3.86Å; E273-Y289 HydrophobicContact CG-CE1 4.24Å; E273-Y289 VanDerWaalsContact OE1-CE1 3.3Å; E273-Y289 WeakPolarHBondContact OE1-CE1 3.37Å; E273-Y289 PolarHBondContact OE1-OH 3.16Å; I276-Y289 HydrophobicContact CD1-CD1 3.5Å; I276-Y289 HydrophobicContact CD1-CE1 4.25Å; I276-Y289 HydrophobicContact CD1-CG 4.28Å; N285-Y289 WeakPolarHBondContact O-CB 3.31Å; N285-Y289 PolarHBondContact O-N 3.22Å; W286-Y289 PolarHBondContact O-N 2.84Å; I287-Y289 VanDerWaalsContact C-N 3.33Å; I287-Y289 PolarHBondContact O-N 3.32Å; Y289-K291 PolarHBondContact O-N 3.24Å; Y289-W292 HydrophobicContact CD2-CE3 4.22Å; Y289-W292 HydrophobicContact CE2-CE3 4.24Å; Y289-W292 HydrophobicContact CE2-CZ3 4.37Å; Y289-W292 PolarHBondContact O-N 3.48Å; Y289-E293 HydrophobicContact CD2-CG 4.08Å; Y289-E293 HydrophobicContact CE2-CG 3.74Å; Y289-E293 WeakPolarHBondContact CE2-OE1 3.01Å; Y289-E293 PolarHBondContact O-N 3.33Å; Y289-V305 HydrophobicContact CD1-CB 4.2Å; Y289-V305 HydrophobicContact CD1-CG1 3.52Å; Y289-V305 HydrophobicContact CD1-CG2 3.48Å; Y289-V305 VanDerWaalsContact CD1-CG2 3.48Å; Y289-V305 HydrophobicContact CE1-CB 4.48Å; Y289-V305 HydrophobicContact CE1-CG1 4.22Å; Y289-V305 HydrophobicContact CE1-CG2 3.35Å; Y289-V305 HydrophobicContact CG-CG1 4.09Å; Y289-V305 HydrophobicContact CG-CG2 4.19Å
290	A	96.3	Very high	94.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-39.8	179.2	0	0	0	0	0	112.6	W286 I287 E293 E294 S302 V305 F306	W286-A290 WeakPolarHBondContact O-CB 3.34Å; W286-A290 PolarHBondContact O-N 2.91Å; I287-A290 PolarHBondContact O-N 3.28Å; A290-E293 PolarHBondContact O-N 2.88Å; A290-E294 PolarHBondContact O-N 3.41Å; A290-S302 PolarHBondContact O-OG 3.34Å; A290-V305 HydrophobicContact CB-CB 4.08Å; A290-V305 HydrophobicContact CB-CG1 3.81Å; A290-F306 HydrophobicContact CB-CD1 4.12Å; A290-F306 HydrophobicContact CB-CD2 3.77Å; A290-F306 HydrophobicContact CB-CE1 3.81Å; A290-F306 HydrophobicContact CB-CE2 3.44Å; A290-F306 VanDerWaalsContact CB-CE2 3.44Å; A290-F306 HydrophobicContact CB-CG 4.1Å; A290-F306 HydrophobicContact CB-CZ 3.46Å; A290-F306 VanDerWaalsContact CB-CZ 3.46Å
291	K	95.8	Very high	94.5	Very high	77 Å²	77	56.1 Å²	56.1	34%	0.335	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-39.6	172.7	-75.5	-172.9	178.5	-170.2	0	112.5	I287 Y289 E294 E295	I287-K291 HydrophobicContact CG2-CD 4.21Å; I287-K291 HydrophobicContact CG2-CG 4.42Å; I287-K291 WeakPolarHBondContact O-CB 3.3Å; I287-K291 WeakPolarHBondContact O-CG 3.29Å; I287-K291 PolarHBondContact O-N 3.39Å; Y289-K291 PolarHBondContact O-N 3.24Å; K291-E294 WeakPolarHBondContact O-CB 3.22Å; K291-E294 PolarHBondContact O-N 2.86Å; K291-E295 WeakPolarHBondContact O-CG 3.26Å; K291-E295 PolarHBondContact O-N 3.42Å
292	W	96.5	Very high	94.8	Very high	11 Å²	11	51.3 Å²	51.3	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-40.1	177.1	178.7	78.8	0	0	0	111.8	Y264 Q265 R268 R269 F272 R288 Y289 E294 E295 Q296	Y264-W292 HydrophobicContact CE1-CZ2 4.05Å; Q265-W292 HydrophobicContact CB-CH2 4.08Å; Q265-W292 HydrophobicContact CG-CH2 4.16Å; Q265-W292 HydrophobicContact CG-CZ2 4.4Å; R268-W292 HydrophobicContact CB-CH2 3.78Å; R268-W292 HydrophobicContact CB-CZ2 3.41Å; R268-W292 VanDerWaalsContact CB-CZ2 3.41Å; R268-W292 HydrophobicContact CB-CZ3 4.49Å; R268-W292 HydrophobicContact CG-CZ2 4.01Å; R269-W292 HydrophobicContact CG-CH2 3.87Å; R269-W292 HydrophobicContact CG-CZ3 3.52Å; F272-W292 HydrophobicContact CD2-CD2 4.27Å; F272-W292 HydrophobicContact CD2-CE3 4.1Å; F272-W292 HydrophobicContact CE2-CB 3.78Å; F272-W292 AromaticContact CE2-CD2 3.67Å; F272-W292 HydrophobicContact CE2-CD2 3.67Å; F272-W292 AromaticContact CE2-CE3 3.96Å; F272-W292 HydrophobicContact CE2-CE3 3.96Å; F272-W292 AromaticContact CE2-CG 3.58Å; F272-W292 HydrophobicContact CE2-CG 3.58Å; F272-W292 HydrophobicContact CZ-CB 3.95Å; F272-W292 HydrophobicContact CZ-CG 4.12Å; R288-W292 WeakPolarHBondContact O-CB 3.25Å; R288-W292 PolarHBondContact O-N 2.89Å; Y289-W292 HydrophobicContact CD2-CE3 4.22Å; Y289-W292 HydrophobicContact CE2-CE3 4.24Å; Y289-W292 HydrophobicContact CE2-CZ3 4.37Å; Y289-W292 PolarHBondContact O-N 3.48Å; W292-E294 VanDerWaalsContact C-N 3.29Å; W292-E294 PolarHBondContact O-N 3.08Å; W292-E295 WeakPolarHBondContact O-CB 3.48Å; W292-E295 PolarHBondContact O-N 2.99Å; W292-Q296 HydrophobicContact CD2-CG 4.26Å; W292-Q296 HydrophobicContact CE3-CG 4.37Å; W292-Q296 HydrophobicContact CH2-CG 3.92Å; W292-Q296 HydrophobicContact CZ2-CG 3.8Å; W292-Q296 HydrophobicContact CZ3-CG 4.2Å; W292-Q296 WeakPolarHBondContact O-CG 3.47Å; W292-Q296 PolarHBondContact O-N 2.91Å
293	E	96.4	Very high	95.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-32.6	172.5	-69.8	-72.9	-175.4	0	0	112.3	R269 Y289 A290 Q296 G297 E298 R301	R269-E293 WeakPolarHBondContact CD-OE1 3.4Å; R269-E293 WeakPolarHBondContact CG-OE1 3.44Å; R269-E293 IonicContact CZ-OE1 2.77Å; R269-E293 IonicContact CZ-OE2 3.66Å; R269-E293 IonicContact NE-OE1 2.74Å; R269-E293 PolarHBondContact NE-OE1 2.93Å; R269-E293 IonicContact NE-OE2 3.52Å; R269-E293 PolarHBondContact NE-OE2 3.34Å; R269-E293 IonicContact NH2-OE1 3.85Å; R269-E293 IonicContact NH2-OE2 3.09Å; R269-E293 PolarHBondContact NH2-OE2 3.23Å; Y289-E293 HydrophobicContact CD2-CG 4.08Å; Y289-E293 HydrophobicContact CE2-CG 3.74Å; Y289-E293 WeakPolarHBondContact CE2-OE1 3.01Å; Y289-E293 PolarHBondContact O-N 3.33Å; A290-E293 PolarHBondContact O-N 2.88Å; E293-Q296 PolarHBondContact O-N 3.41Å; E293-G297 PolarHBondContact O-N 3.29Å; E293-E298 PolarHBondContact O-N 2.77Å; E293-R301 HydrophobicContact CB-CB 4.26Å; E293-R301 HydrophobicContact CG-CB 4.05Å; E293-R301 WeakPolarHBondContact OE2-CD 3.35Å
294	E	94.9	Very high	95.3	Very high	20 Å²	20	52.8 Å²	52.8	9%	0.093	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-45.3	170	176.7	-172.7	-164.1	0	0	111.5	A290 K291 W292 Q296 G297 L299 M326 R329 N330	A290-E294 PolarHBondContact O-N 3.41Å; K291-E294 WeakPolarHBondContact O-CB 3.22Å; K291-E294 PolarHBondContact O-N 2.86Å; W292-E294 VanDerWaalsContact C-N 3.29Å; W292-E294 PolarHBondContact O-N 3.08Å; E294-Q296 PolarHBondContact O-N 2.86Å; E294-G297 WeakPolarHBondContact O-CA 3.46Å; E294-G297 PolarHBondContact O-N 3.34Å; E294-L299 HydrophobicContact CG-CD2 4.5Å; E294-M326 HydrophobicContact CB-CG 4.28Å; E294-M326 HydrophobicContact CG-CG 4.06Å; E294-R329 VanDerWaalsContact CD-CZ 3.47Å; E294-R329 VanDerWaalsContact CD-NH2 3.35Å; E294-R329 IonicContact OE1-CZ 3.11Å; E294-R329 IonicContact OE1-NE 3.33Å; E294-R329 IonicContact OE1-NH1 3.67Å; E294-R329 PolarHBondContact OE1-NH1 3.18Å; E294-R329 IonicContact OE1-NH2 2.8Å; E294-R329 PolarHBondContact OE1-NH2 3.05Å; E294-R329 IonicContact OE2-CZ 3.83Å; E294-R329 IonicContact OE2-NH1 2.73Å; E294-R329 PolarHBondContact OE2-NH1 2.72Å; E294-R329 IonicContact OE2-NH2 2.71Å; E294-R329 PolarHBondContact OE2-NH2 3.14Å; E294-N330 PolarHBondContact OE1-ND2 3.11Å; E294-N330 VanDerWaalsContact OE1-ND2 3.11Å
295	E	94.2	Very high	95.4	Very high	147 Å²	147	49.9 Å²	49.9	69%	0.687	24%	0.241	S	C	*	.	H	α-helix	trans	-61.9	-29	175.7	-72.2	170.1	-175.5	0	0	112.6	K291 W292 G297	K291-E295 WeakPolarHBondContact O-CG 3.26Å; K291-E295 PolarHBondContact O-N 3.42Å; W292-E295 WeakPolarHBondContact O-CB 3.48Å; W292-E295 PolarHBondContact O-N 2.99Å; E295-G297 PolarHBondContact O-N 3.44Å
296	Q	91.7	Very high	95.5	Very high	51 Å²	51	48.8 Å²	48.8	24%	0.238	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8	172.3	-62.3	-50.8	-72.5	0	0	113.4	Q265 W292 E293 E294 E298	Q265-Q296 HydrophobicContact CG-CG 4.45Å; Q265-Q296 VanDerWaalsContact NE2-OE1 3.1Å; W292-Q296 HydrophobicContact CD2-CG 4.26Å; W292-Q296 HydrophobicContact CE3-CG 4.37Å; W292-Q296 HydrophobicContact CH2-CG 3.92Å; W292-Q296 HydrophobicContact CZ2-CG 3.8Å; W292-Q296 HydrophobicContact CZ3-CG 4.2Å; W292-Q296 WeakPolarHBondContact O-CG 3.47Å; W292-Q296 PolarHBondContact O-N 2.91Å; E293-Q296 PolarHBondContact O-N 3.41Å; E294-Q296 PolarHBondContact O-N 2.86Å; Q296-E298 VanDerWaalsContact C-N 3.26Å; Q296-E298 HydrophobicContact CB-CG 4.33Å; Q296-E298 PolarHBondContact O-N 3.12Å
297	G	91.1	Very high	95.5	Very high	55 Å²	55	50.9 Å²	50.9	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	4.4	-173.4	0	0	0	0	0	114.4	E293 E294 E295 L299	E293-G297 PolarHBondContact O-N 3.29Å; E294-G297 WeakPolarHBondContact O-CA 3.46Å; E294-G297 PolarHBondContact O-N 3.34Å; E295-G297 PolarHBondContact O-N 3.44Å; G297-L299 VanDerWaalsContact C-N 3.33Å; G297-L299 PolarHBondContact O-N 2.79Å; G297-L299 VanDerWaalsContact O-N 3.08Å
298	E	93.2	Very high	95.5	Very high	81 Å²	81	53 Å²	53	38%	0.379	25%	0.252	S	S	.	.			trans	-88.6	66	-176	-71.9	-74.8	-179.1	0	0	111	E293 Q296 Q300 R301 S302	E293-E298 PolarHBondContact O-N 2.77Å; Q296-E298 VanDerWaalsContact C-N 3.26Å; Q296-E298 HydrophobicContact CB-CG 4.33Å; Q296-E298 PolarHBondContact O-N 3.12Å; E298-Q300 VanDerWaalsContact C-N 3.25Å; E298-Q300 PolarHBondContact O-N 2.92Å; E298-R301 HydrophobicContact CB-CB 4.23Å; E298-R301 HydrophobicContact CB-CG 4.31Å; E298-R301 WeakPolarHBondContact O-CB 3.37Å; E298-R301 PolarHBondContact O-N 2.92Å; E298-S302 PolarHBondContact O-N 3.22Å
299	L	94.8	Very high	95.5	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-36.8	-173.7	-57.6	-177.7	0	0	0	113	E294 G297 R301 S302 R303 M326 N330	E294-L299 HydrophobicContact CG-CD2 4.5Å; G297-L299 VanDerWaalsContact C-N 3.33Å; G297-L299 PolarHBondContact O-N 2.79Å; G297-L299 VanDerWaalsContact O-N 3.08Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.5Å; L299-S302 WeakPolarHBondContact O-CB 3.45Å; L299-S302 PolarHBondContact O-N 3.48Å; L299-R303 WeakPolarHBondContact O-CG 3.34Å; L299-R303 PolarHBondContact O-N 3.32Å; L299-M326 HydrophobicContact CD2-SD 4.22Å; L299-N330 HydrophobicContact CD1-CB 3.74Å; L299-N330 HydrophobicContact CD2-CB 4.03Å; L299-N330 VanDerWaalsContact CD2-CG 3.43Å; L299-N330 WeakPolarHBondContact CD2-ND2 3.3Å
300	Q	96.1	Very high	95.5	Very high	128 Å²	128	45.6 Å²	45.6	60%	0.598	23%	0.225	S	C	*	.	H	α-helix	trans	-66.3	-34.4	179.8	-168.6	61.1	19.3	0	0	112.3	E298 R303 S304	E298-Q300 VanDerWaalsContact C-N 3.25Å; E298-Q300 PolarHBondContact O-N 2.92Å; Q300-R303 VanDerWaalsContact OE1-NH1 3.1Å; Q300-S304 PolarHBondContact O-N 3.44Å; Q300-S304 VanDerWaalsContact O-N 3.16Å
301	R	95.1	Very high	95.4	Very high	118 Å²	118	52.6 Å²	52.6	45%	0.445	26%	0.258	S	S	.	.	H	α-helix	trans	-69.8	-44.8	172.5	-68.4	-175.9	176.6	-113	-2.7	110.4	E293 E298 L299 R303 S304 V305	E293-R301 HydrophobicContact CB-CB 4.26Å; E293-R301 HydrophobicContact CG-CB 4.05Å; E293-R301 WeakPolarHBondContact OE2-CD 3.35Å; E298-R301 HydrophobicContact CB-CB 4.23Å; E298-R301 HydrophobicContact CB-CG 4.31Å; E298-R301 WeakPolarHBondContact O-CB 3.37Å; E298-R301 PolarHBondContact O-N 2.92Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.5Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 3.45Å; R301-S304 WeakPolarHBondContact O-CB 3.36Å; R301-S304 PolarHBondContact O-N 3.25Å; R301-V305 WeakPolarHBondContact O-CG2 3.45Å; R301-V305 PolarHBondContact O-N 3.42Å
302	S	96.7	Very high	95.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.1	-46.2	176.2	-169.3	0	0	0	0	111.9	A290 E298 L299 S304 V305 F306	A290-S302 PolarHBondContact O-OG 3.34Å; E298-S302 PolarHBondContact O-N 3.22Å; L299-S302 WeakPolarHBondContact O-CB 3.45Å; L299-S302 PolarHBondContact O-N 3.48Å; S302-S304 PolarHBondContact O-N 3.41Å; S302-V305 PolarHBondContact O-N 2.91Å; S302-F306 VanDerWaalsContact O-CD2 3.3Å; S302-F306 WeakPolarHBondContact O-CD2 3.31Å; S302-F306 PolarHBondContact O-N 2.86Å
303	R	97.2	Very high	95.1	Very high	35 Å²	35	52 Å²	52	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-54.7	-49.6	171.9	-72.4	169.4	-170.6	153.9	6.3	112.4	L299 Q300 R301 V305 F306 E307 Y323 M326 E327 H335	L299-R303 WeakPolarHBondContact O-CG 3.34Å; L299-R303 PolarHBondContact O-N 3.32Å; Q300-R303 VanDerWaalsContact OE1-NH1 3.1Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 3.45Å; R303-V305 VanDerWaalsContact C-N 3.29Å; R303-V305 PolarHBondContact O-N 3.27Å; R303-F306 PolarHBondContact O-N 2.83Å; R303-E307 WeakPolarHBondContact O-CG 3.41Å; R303-E307 PolarHBondContact O-N 3.46Å; R303-Y323 HydrophobicContact CB-CE2 4.44Å; R303-Y323 HydrophobicContact CG-CE2 4.04Å; R303-M326 HydrophobicContact CG-CE 4.12Å; R303-E327 WeakPolarHBondContact CD-OE1 3.34Å; R303-E327 WeakPolarHBondContact CG-OE1 3.4Å; R303-E327 IonicContact CZ-OE1 3.44Å; R303-E327 IonicContact CZ-OE2 2.82Å; R303-E327 IonicContact NE-OE1 3.91Å; R303-E327 PolarHBondContact NE-OE1 3.22Å; R303-E327 IonicContact NE-OE2 3.68Å; R303-E327 PolarHBondContact NE-OE2 3.49Å; R303-E327 IonicContact NH2-OE1 2.65Å; R303-E327 IonicContact NH2-OE2 3.64Å; R303-E327 PolarHBondContact NH2-OE2 3.12Å; R303-H335 VanDerWaalsContact CZ-CD2 3.43Å; R303-H335 PolarHBondContact NH2-CD2 3.28Å; R303-H335 VanDerWaalsContact NH2-CD2 3.28Å
304	S	96.8	Very high	94.9	Very high	61 Å²	61	56.1 Å²	56.1	43%	0.427	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-40.1	178.4	-179.3	0	0	0	0	112	Q300 R301 S302 R308	Q300-S304 PolarHBondContact O-N 3.44Å; Q300-S304 VanDerWaalsContact O-N 3.16Å; R301-S304 WeakPolarHBondContact O-CB 3.36Å; R301-S304 PolarHBondContact O-N 3.25Å; S302-S304 PolarHBondContact O-N 3.41Å; S304-R308 WeakPolarHBondContact O-CB 3.37Å; S304-R308 WeakPolarHBondContact O-CD 3.46Å; S304-R308 WeakPolarHBondContact O-CG 3.3Å; S304-R308 PolarHBondContact O-N 2.98Å
305	V	96.5	Very high	94.9	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-43.3	176.3	179.3	0	0	0	0	111.1	W286 Y289 A290 R301 S302 R303 R308 A309	W286-V305 HydrophobicContact CE3-CG1 3.95Å; Y289-V305 HydrophobicContact CD1-CB 4.2Å; Y289-V305 HydrophobicContact CD1-CG1 3.52Å; Y289-V305 HydrophobicContact CD1-CG2 3.48Å; Y289-V305 VanDerWaalsContact CD1-CG2 3.48Å; Y289-V305 HydrophobicContact CE1-CB 4.48Å; Y289-V305 HydrophobicContact CE1-CG1 4.22Å; Y289-V305 HydrophobicContact CE1-CG2 3.35Å; Y289-V305 HydrophobicContact CG-CG1 4.09Å; Y289-V305 HydrophobicContact CG-CG2 4.19Å; A290-V305 HydrophobicContact CB-CB 4.08Å; A290-V305 HydrophobicContact CB-CG1 3.81Å; R301-V305 WeakPolarHBondContact O-CG2 3.45Å; R301-V305 PolarHBondContact O-N 3.42Å; S302-V305 PolarHBondContact O-N 2.91Å; R303-V305 VanDerWaalsContact C-N 3.29Å; R303-V305 PolarHBondContact O-N 3.27Å; V305-R308 PolarHBondContact O-N 2.83Å; V305-A309 WeakPolarHBondContact O-CB 3.49Å; V305-A309 PolarHBondContact O-N 3.32Å
306	F	97.2	Very high	94.8	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-44.4	176.3	-79.3	-61	0	0	0	112.8	A290 S302 R303 R308 A309 L310 I319 Q322 Y323 M326	A290-F306 HydrophobicContact CB-CD1 4.12Å; A290-F306 HydrophobicContact CB-CD2 3.77Å; A290-F306 HydrophobicContact CB-CE1 3.81Å; A290-F306 HydrophobicContact CB-CE2 3.44Å; A290-F306 VanDerWaalsContact CB-CE2 3.44Å; A290-F306 HydrophobicContact CB-CG 4.1Å; A290-F306 HydrophobicContact CB-CZ 3.46Å; A290-F306 VanDerWaalsContact CB-CZ 3.46Å; S302-F306 VanDerWaalsContact O-CD2 3.3Å; S302-F306 WeakPolarHBondContact O-CD2 3.31Å; S302-F306 PolarHBondContact O-N 2.86Å; R303-F306 PolarHBondContact O-N 2.83Å; F306-R308 VanDerWaalsContact C-N 3.35Å; F306-R308 PolarHBondContact O-N 2.99Å; F306-A309 CarbonylContact O-C 3.54Å; F306-A309 WeakPolarHBondContact O-CB 3.35Å; F306-A309 PolarHBondContact O-N 2.91Å; F306-A309 VanDerWaalsContact O-N 3.11Å; F306-L310 WeakPolarHBondContact O-CG 3.49Å; F306-L310 PolarHBondContact O-N 3.45Å; F306-I319 HydrophobicContact CD1-CG2 4.19Å; F306-Q322 HydrophobicContact CE1-CB 3.89Å; F306-Q322 HydrophobicContact CZ-CB 4.04Å; F306-Y323 HydrophobicContact CB-CD1 4.07Å; F306-Y323 HydrophobicContact CB-CD2 3.69Å; F306-Y323 HydrophobicContact CB-CE1 4.41Å; F306-Y323 HydrophobicContact CB-CE2 4.11Å; F306-Y323 HydrophobicContact CB-CG 3.68Å; F306-Y323 HydrophobicContact CD1-CG 4.39Å; F306-Y323 AromaticContact CD2-CD2 3.57Å; F306-Y323 HydrophobicContact CD2-CD2 3.57Å; F306-Y323 HydrophobicContact CD2-CE2 4.32Å; F306-Y323 HydrophobicContact CD2-CG 4.09Å; F306-Y323 HydrophobicContact CE2-CD2 4.35Å; F306-Y323 AromaticContact CG-CD2 3.76Å; F306-Y323 HydrophobicContact CG-CD2 3.76Å; F306-Y323 AromaticContact CG-CG 3.83Å; F306-Y323 HydrophobicContact CG-CG 3.83Å; F306-M326 HydrophobicContact CD2-CE 3.85Å; F306-M326 HydrophobicContact CE2-CB 4.06Å; F306-M326 HydrophobicContact CE2-CE 3.94Å; F306-M326 HydrophobicContact CE2-CG 4.2Å
307	E	96.8	Very high	95	Very high	53 Å²	53	59.4 Å²	59.4	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.1	176.4	-67.5	-65.8	167	0	0	111	R303 A309 L310 E311 Y323 R342	R303-E307 WeakPolarHBondContact O-CG 3.41Å; R303-E307 PolarHBondContact O-N 3.46Å; E307-A309 VanDerWaalsContact C-N 3.29Å; E307-A309 PolarHBondContact O-N 3.33Å; E307-L310 PolarHBondContact O-N 3.01Å; E307-L310 VanDerWaalsContact O-N 3.16Å; E307-E311 WeakPolarHBondContact O-CG 3.34Å; E307-E311 PolarHBondContact O-N 3.33Å; E307-Y323 VanDerWaalsContact OE1-CE1 3.24Å; E307-Y323 WeakPolarHBondContact OE1-CE1 3.37Å; E307-Y323 PolarHBondContact OE1-OH 2.64Å; E307-R342 IonicContact OE1-CZ 2.84Å; E307-R342 IonicContact OE1-NH1 3.41Å; E307-R342 PolarHBondContact OE1-NH1 3.06Å; E307-R342 IonicContact OE1-NH2 3.45Å; E307-R342 IonicContact OE2-CZ 2.8Å; E307-R342 IonicContact OE2-NH1 2.62Å; E307-R342 PolarHBondContact OE2-NH1 3.37Å; E307-R342 IonicContact OE2-NH2 3.37Å; E307-R342 PolarHBondContact OE2-NH2 3.45Å
308	R	96	Very high	95.2	Very high	72 Å²	72	59.8 Å²	59.8	27%	0.272	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-37.3	172.5	-73	165.7	59.6	-164.6	-1.3	112.4	E273 W286 S304 V305 F306 E311 V312	E273-R308 IonicContact OE1-CZ 3.49Å; E273-R308 IonicContact OE1-NH1 3.41Å; E273-R308 PolarHBondContact OE1-NH1 3.09Å; E273-R308 IonicContact OE1-NH2 2.74Å; E273-R308 PolarHBondContact OE1-NH2 3.02Å; E273-R308 IonicContact OE2-CZ 3.96Å; E273-R308 IonicContact OE2-NH1 3.5Å; E273-R308 IonicContact OE2-NH2 3.57Å; E273-R308 PolarHBondContact OE2-NH2 3.33Å; W286-R308 HydrophobicContact CE3-CB 4.42Å; W286-R308 HydrophobicContact CH2-CB 3.91Å; W286-R308 HydrophobicContact CZ3-CB 3.53Å; S304-R308 WeakPolarHBondContact O-CB 3.37Å; S304-R308 WeakPolarHBondContact O-CD 3.46Å; S304-R308 WeakPolarHBondContact O-CG 3.3Å; S304-R308 PolarHBondContact O-N 2.98Å; V305-R308 PolarHBondContact O-N 2.83Å; F306-R308 VanDerWaalsContact C-N 3.35Å; F306-R308 PolarHBondContact O-N 2.99Å; R308-E311 PolarHBondContact O-N 2.9Å; R308-V312 PolarHBondContact O-N 3.35Å
309	A	96.2	Very high	95.3	Very high	2 Å²	2	56 Å²	56	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-37.6	175.9	0	0	0	0	0	111.8	W286 V305 F306 E307 V312 A313 I319	W286-A309 HydrophobicContact CB-CB 3.71Å; W286-A309 HydrophobicContact CD2-CB 3.81Å; W286-A309 HydrophobicContact CE3-CB 3.89Å; W286-A309 HydrophobicContact CG-CB 3.75Å; V305-A309 WeakPolarHBondContact O-CB 3.49Å; V305-A309 PolarHBondContact O-N 3.32Å; F306-A309 CarbonylContact O-C 3.54Å; F306-A309 WeakPolarHBondContact O-CB 3.35Å; F306-A309 PolarHBondContact O-N 2.91Å; F306-A309 VanDerWaalsContact O-N 3.11Å; E307-A309 VanDerWaalsContact C-N 3.29Å; E307-A309 PolarHBondContact O-N 3.33Å; A309-V312 PolarHBondContact O-N 3.38Å; A309-A313 PolarHBondContact O-N 2.58Å; A309-I319 HydrophobicContact CB-CD1 4.24Å; A309-I319 HydrophobicContact CB-CG2 4.1Å
310	L	95.5	Very high	95.4	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-36.3	174.8	-71.2	175.5	0	0	0	112.2	F306 E307 V312 A313 H314 I319 W320 Y323	F306-L310 WeakPolarHBondContact O-CG 3.49Å; F306-L310 PolarHBondContact O-N 3.45Å; E307-L310 PolarHBondContact O-N 3.01Å; E307-L310 VanDerWaalsContact O-N 3.16Å; L310-V312 PolarHBondContact O-N 2.8Å; L310-A313 CarbonylContact O-C 3.55Å; L310-A313 PolarHBondContact O-N 3.1Å; L310-H314 VanDerWaalsContact O-CA 3.29Å; L310-H314 WeakPolarHBondContact O-CA 3.44Å; L310-H314 VanDerWaalsContact O-CB 3.29Å; L310-H314 WeakPolarHBondContact O-CB 3.35Å; L310-H314 PolarHBondContact O-N 3.27Å; L310-I319 HydrophobicContact CD2-CB 4.02Å; L310-I319 HydrophobicContact CD2-CG2 3.53Å; L310-I319 HydrophobicContact CG-CG2 3.81Å; L310-W320 HydrophobicContact CD1-CD2 4.28Å; L310-W320 HydrophobicContact CD1-CE3 4.04Å; L310-W320 HydrophobicContact CD1-CH2 3.77Å; L310-W320 HydrophobicContact CD1-CZ2 4.01Å; L310-W320 HydrophobicContact CD1-CZ3 3.79Å; L310-W320 HydrophobicContact CD2-CD2 3.76Å; L310-W320 VanDerWaalsContact CD2-CE2 3.4Å; L310-W320 HydrophobicContact CD2-CE3 4.36Å; L310-W320 HydrophobicContact CD2-CG 4.09Å; L310-W320 HydrophobicContact CD2-CH2 4.35Å; L310-W320 HydrophobicContact CD2-CZ2 3.73Å; L310-W320 HydrophobicContact CG-CZ2 4.41Å; L310-Y323 HydrophobicContact CD1-CD1 3.97Å; L310-Y323 HydrophobicContact CD1-CE1 4.24Å
311	E	94.9	Very high	95.4	Very high	148 Å²	148	49.3 Å²	49.3	69%	0.692	24%	0.237	S	C	*	.	H	α-helix	trans	-58.3	-36.1	171.4	-72.5	174.7	-176.8	0	0	112	E307 R308	E307-E311 WeakPolarHBondContact O-CG 3.34Å; E307-E311 PolarHBondContact O-N 3.33Å; R308-E311 PolarHBondContact O-N 2.9Å
312	V	93.3	Very high	95.5	Very high	50 Å²	50	45.5 Å²	45.5	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-76.5	-45.7	176.5	178	0	0	0	0	111.7	R280 W286 R308 A309 L310	R280-V312 HydrophobicContact CG-CG1 4.42Å; R280-V312 HydrophobicContact CG-CG2 4.01Å; W286-V312 HydrophobicContact CZ2-CG2 3.95Å; R308-V312 PolarHBondContact O-N 3.35Å; A309-V312 PolarHBondContact O-N 3.38Å; L310-V312 PolarHBondContact O-N 2.8Å
313	A	91.8	Very high	95.5	Very high	24 Å²	24	46.1 Å²	46.1	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-143	59.1	-169.5	0	0	0	0	0	113.5	I283 A309 L310 R315 N316 I319	I283-A313 HydrophobicContact CD1-CB 3.98Å; I283-A313 HydrophobicContact CG1-CB 4.41Å; A309-A313 PolarHBondContact O-N 2.58Å; L310-A313 CarbonylContact O-C 3.55Å; L310-A313 PolarHBondContact O-N 3.1Å; A313-R315 PolarHBondContact O-N 3.5Å; A313-N316 HydrophobicContact CB-CB 4.41Å; A313-N316 PolarHBondContact O-N 3.27Å; A313-I319 HydrophobicContact CB-CD1 4.07Å
314	H	93.4	Very high	95.4	Very high	88 Å²	88	44.5 Å²	44.5	41%	0.407	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.2	178.8	65.6	-88.8	0	0	0	114.4	L310 N316 W320	L310-H314 VanDerWaalsContact O-CA 3.29Å; L310-H314 WeakPolarHBondContact O-CA 3.44Å; L310-H314 VanDerWaalsContact O-CB 3.29Å; L310-H314 WeakPolarHBondContact O-CB 3.35Å; L310-H314 PolarHBondContact O-N 3.27Å; H314-N316 VanDerWaalsContact C-N 3.32Å; H314-W320 PolarHBondContact O-NE1 3.02Å
315	R	93.7	Very high	95.3	Very high	194 Å²	194	44 Å²	44	73%	0.732	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.1	177.1	-65.5	-172.8	178.8	175.7	-2.9	113.6	A313 V317	A313-R315 PolarHBondContact O-N 3.5Å; R315-V317 PolarHBondContact O-N 3.14Å
316	N	93.8	Very high	95.3	Very high	50 Å²	50	43.9 Å²	43.9	27%	0.267	21%	0.21	S	C	.	.			trans	-78.1	115.5	-176.4	-168.9	-54.3	0	0	0	110.9	I283 A313 H314 T318 I319 W320	I283-N316 HydrophobicContact CD1-CB 3.66Å; I283-N316 WeakPolarHBondContact CD1-ND2 3.29Å; A313-N316 HydrophobicContact CB-CB 4.41Å; A313-N316 PolarHBondContact O-N 3.27Å; H314-N316 VanDerWaalsContact C-N 3.32Å; N316-T318 VanDerWaalsContact C-N 3.3Å; N316-T318 PolarHBondContact O-N 3.49Å; N316-T318 WeakPolarHBondContact OD1-CB 3.43Å; N316-T318 PolarHBondContact OD1-N 3.27Å; N316-T318 PolarHBondContact OD1-OG1 3.44Å; N316-I319 HydrophobicContact CB-CD1 4.02Å; N316-I319 HydrophobicContact CB-CG1 4.16Å; N316-I319 PolarHBondContact O-N 3.37Å; N316-W320 VanDerWaalsContact O-CD1 3.31Å
317	V	95	Very high	95.2	Very high	42 Å²	42	43.8 Å²	43.8	26%	0.255	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-39.9	-178.9	-179.5	0	0	0	0	112.3	R315 I319 W320 L321 A350 Q352 F353	R315-V317 PolarHBondContact O-N 3.14Å; V317-I319 VanDerWaalsContact C-N 3.31Å; V317-I319 PolarHBondContact O-N 3.35Å; V317-W320 PolarHBondContact O-N 3.03Å; V317-L321 HydrophobicContact CG1-CD1 4.1Å; V317-L321 HydrophobicContact CG1-CG 4.14Å; V317-L321 WeakPolarHBondContact O-CG 3.28Å; V317-L321 PolarHBondContact O-N 2.95Å; V317-A350 HydrophobicContact CG2-CB 4.44Å; V317-Q352 VanDerWaalsContact CG1-OE1 3.28Å; V317-F353 HydrophobicContact CB-CE1 4.3Å; V317-F353 HydrophobicContact CB-CZ 4.15Å; V317-F353 HydrophobicContact CG1-CD1 4.34Å; V317-F353 HydrophobicContact CG1-CE1 3.5Å; V317-F353 HydrophobicContact CG1-CZ 3.81Å; V317-F353 HydrophobicContact CG2-CZ 4.25Å
318	T	95.6	Very high	95.1	Very high	63 Å²	63	44.8 Å²	44.8	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-32.4	-175.4	66.9	0	0	0	0	113.4	N316 L321 Q322	N316-T318 VanDerWaalsContact C-N 3.3Å; N316-T318 PolarHBondContact O-N 3.49Å; N316-T318 WeakPolarHBondContact OD1-CB 3.43Å; N316-T318 PolarHBondContact OD1-N 3.27Å; N316-T318 PolarHBondContact OD1-OG1 3.44Å; T318-L321 PolarHBondContact O-N 3.25Å; T318-Q322 WeakPolarHBondContact O-CB 3.42Å; T318-Q322 VanDerWaalsContact O-CG 3.29Å; T318-Q322 WeakPolarHBondContact O-CG 3.25Å; T318-Q322 PolarHBondContact O-N 3.06Å
319	I	95.7	Very high	95	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-48.4	178.2	-58.9	177.2	0	0	0	109.6	I283 F306 A309 L310 A313 N316 V317 L321 Q322 Y323	I283-I319 HydrophobicContact CD1-CD1 4.12Å; I283-I319 HydrophobicContact CG1-CD1 4.11Å; I283-I319 HydrophobicContact CG2-CD1 3.79Å; I283-I319 HydrophobicContact CG2-CG1 3.54Å; F306-I319 HydrophobicContact CD1-CG2 4.19Å; A309-I319 HydrophobicContact CB-CD1 4.24Å; A309-I319 HydrophobicContact CB-CG2 4.1Å; L310-I319 HydrophobicContact CD2-CB 4.02Å; L310-I319 HydrophobicContact CD2-CG2 3.53Å; L310-I319 HydrophobicContact CG-CG2 3.81Å; A313-I319 HydrophobicContact CB-CD1 4.07Å; N316-I319 HydrophobicContact CB-CD1 4.02Å; N316-I319 HydrophobicContact CB-CG1 4.16Å; N316-I319 PolarHBondContact O-N 3.37Å; V317-I319 VanDerWaalsContact C-N 3.31Å; V317-I319 PolarHBondContact O-N 3.35Å; I319-L321 VanDerWaalsContact C-N 3.34Å; I319-L321 PolarHBondContact O-N 3.11Å; I319-Q322 PolarHBondContact O-N 3.16Å; I319-Y323 VanDerWaalsContact O-CB 3.26Å; I319-Y323 WeakPolarHBondContact O-CB 3.49Å; I319-Y323 PolarHBondContact O-N 2.84Å
320	W	97	Very high	94.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-45.3	176.1	-68.7	103.1	0	0	0	112.1	L310 H314 N316 V317 Y323 A324 V339 R342 A343 L346 F353	L310-W320 HydrophobicContact CD1-CD2 4.28Å; L310-W320 HydrophobicContact CD1-CE3 4.04Å; L310-W320 HydrophobicContact CD1-CH2 3.77Å; L310-W320 HydrophobicContact CD1-CZ2 4.01Å; L310-W320 HydrophobicContact CD1-CZ3 3.79Å; L310-W320 HydrophobicContact CD2-CD2 3.76Å; L310-W320 VanDerWaalsContact CD2-CE2 3.4Å; L310-W320 HydrophobicContact CD2-CE3 4.36Å; L310-W320 HydrophobicContact CD2-CG 4.09Å; L310-W320 HydrophobicContact CD2-CH2 4.35Å; L310-W320 HydrophobicContact CD2-CZ2 3.73Å; L310-W320 HydrophobicContact CG-CZ2 4.41Å; H314-W320 PolarHBondContact O-NE1 3.02Å; N316-W320 VanDerWaalsContact O-CD1 3.31Å; V317-W320 PolarHBondContact O-N 3.03Å; W320-Y323 PolarHBondContact O-N 3.09Å; W320-A324 WeakPolarHBondContact O-CB 3.38Å; W320-A324 PolarHBondContact O-N 3.41Å; W320-V339 HydrophobicContact CE3-CG1 3.95Å; W320-V339 HydrophobicContact CZ3-CG1 4.3Å; W320-R342 HydrophobicContact CH2-CB 4.15Å; W320-R342 HydrophobicContact CZ3-CB 3.96Å; W320-A343 HydrophobicContact CB-CB 4.38Å; W320-A343 HydrophobicContact CD2-CB 3.89Å; W320-A343 HydrophobicContact CE3-CB 3.66Å; W320-A343 HydrophobicContact CG-CB 4.23Å; W320-A343 HydrophobicContact CZ3-CB 4.23Å; W320-L346 HydrophobicContact CH2-CD1 3.68Å; W320-L346 HydrophobicContact CZ2-CD1 3.58Å; W320-F353 HydrophobicContact CB-CE1 3.64Å; W320-F353 HydrophobicContact CB-CE2 4.49Å; W320-F353 HydrophobicContact CB-CZ 3.54Å; W320-F353 AromaticContact CD1-CZ 3.71Å; W320-F353 HydrophobicContact CG-CE1 4.35Å; W320-F353 HydrophobicContact CG-CE2 4.4Å; W320-F353 AromaticContact CG-CZ 3.75Å; W320-F353 HydrophobicContact CG-CZ 3.75Å
321	L	96.4	Very high	94.8	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-58.8	-52.2	177.7	-67.1	-176	0	0	0	111.5	V317 T318 I319 Y323 A324 E325 W340 F353 K356	V317-L321 HydrophobicContact CG1-CD1 4.1Å; V317-L321 HydrophobicContact CG1-CG 4.14Å; V317-L321 WeakPolarHBondContact O-CG 3.28Å; V317-L321 PolarHBondContact O-N 2.95Å; T318-L321 PolarHBondContact O-N 3.25Å; I319-L321 VanDerWaalsContact C-N 3.34Å; I319-L321 PolarHBondContact O-N 3.11Å; L321-Y323 VanDerWaalsContact C-N 3.32Å; L321-Y323 PolarHBondContact O-N 3.38Å; L321-A324 PolarHBondContact O-N 3.46Å; L321-E325 WeakPolarHBondContact O-CB 3.31Å; L321-E325 WeakPolarHBondContact O-CG 3.44Å; L321-E325 PolarHBondContact O-N 2.95Å; L321-W340 HydrophobicContact CD2-CH2 3.58Å; L321-W340 HydrophobicContact CD2-CZ3 3.96Å; L321-F353 HydrophobicContact CD2-CD1 3.99Å; L321-F353 HydrophobicContact CD2-CE1 3.99Å; L321-F353 HydrophobicContact CG-CE1 4.25Å; L321-K356 HydrophobicContact CD2-CD 3.51Å
322	Q	95.9	Very high	94.8	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-35.5	-178.5	-67.8	-58.4	-68.6	0	0	112.2	I287 F306 T318 I319 E325 M326	I287-Q322 HydrophobicContact CD1-CG 4.29Å; I287-Q322 HydrophobicContact CG2-CG 4.18Å; F306-Q322 HydrophobicContact CE1-CB 3.89Å; F306-Q322 HydrophobicContact CZ-CB 4.04Å; T318-Q322 WeakPolarHBondContact O-CB 3.42Å; T318-Q322 VanDerWaalsContact O-CG 3.29Å; T318-Q322 WeakPolarHBondContact O-CG 3.25Å; T318-Q322 PolarHBondContact O-N 3.06Å; I319-Q322 PolarHBondContact O-N 3.16Å; Q322-E325 PolarHBondContact NE2-OE2 2.87Å; Q322-M326 VanDerWaalsContact O-CB 3.3Å; Q322-M326 WeakPolarHBondContact O-CB 3.37Å; Q322-M326 PolarHBondContact O-N 3.11Å
323	Y	97	Very high	94.8	Very high	13 Å²	13	56.8 Å²	56.8	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-50.4	177.6	-177.3	-157.8	0	0	0	111.5	R303 F306 E307 L310 I319 W320 L321 E325 M326 E327 V339	R303-Y323 HydrophobicContact CB-CE2 4.44Å; R303-Y323 HydrophobicContact CG-CE2 4.04Å; F306-Y323 HydrophobicContact CB-CD1 4.07Å; F306-Y323 HydrophobicContact CB-CD2 3.69Å; F306-Y323 HydrophobicContact CB-CE1 4.41Å; F306-Y323 HydrophobicContact CB-CE2 4.11Å; F306-Y323 HydrophobicContact CB-CG 3.68Å; F306-Y323 HydrophobicContact CD1-CG 4.39Å; F306-Y323 AromaticContact CD2-CD2 3.57Å; F306-Y323 HydrophobicContact CD2-CD2 3.57Å; F306-Y323 HydrophobicContact CD2-CE2 4.32Å; F306-Y323 HydrophobicContact CD2-CG 4.09Å; F306-Y323 HydrophobicContact CE2-CD2 4.35Å; F306-Y323 AromaticContact CG-CD2 3.76Å; F306-Y323 HydrophobicContact CG-CD2 3.76Å; F306-Y323 AromaticContact CG-CG 3.83Å; F306-Y323 HydrophobicContact CG-CG 3.83Å; E307-Y323 VanDerWaalsContact OE1-CE1 3.24Å; E307-Y323 WeakPolarHBondContact OE1-CE1 3.37Å; E307-Y323 PolarHBondContact OE1-OH 2.64Å; L310-Y323 HydrophobicContact CD1-CD1 3.97Å; L310-Y323 HydrophobicContact CD1-CE1 4.24Å; I319-Y323 VanDerWaalsContact O-CB 3.26Å; I319-Y323 WeakPolarHBondContact O-CB 3.49Å; I319-Y323 PolarHBondContact O-N 2.84Å; W320-Y323 PolarHBondContact O-N 3.09Å; L321-Y323 VanDerWaalsContact C-N 3.32Å; L321-Y323 PolarHBondContact O-N 3.38Å; Y323-E325 PolarHBondContact O-N 3.22Å; Y323-M326 HydrophobicContact CD2-CE 3.75Å; Y323-M326 HydrophobicContact CE2-CE 3.87Å; Y323-M326 WeakPolarHBondContact O-CB 3.44Å; Y323-M326 PolarHBondContact O-N 3.2Å; Y323-E327 HydrophobicContact CD2-CG 4.5Å; Y323-E327 HydrophobicContact CE2-CG 4.27Å; Y323-E327 PolarHBondContact O-N 3.05Å; Y323-V339 HydrophobicContact CD1-CB 4.41Å; Y323-V339 HydrophobicContact CD1-CG1 3.64Å; Y323-V339 HydrophobicContact CD1-CG2 3.77Å; Y323-V339 HydrophobicContact CE1-CB 4.48Å; Y323-V339 HydrophobicContact CE1-CG1 4.14Å; Y323-V339 HydrophobicContact CE1-CG2 3.45Å; Y323-V339 VanDerWaalsContact CE1-CG2 3.45Å; Y323-V339 HydrophobicContact CE2-CG2 4.22Å; Y323-V339 HydrophobicContact CG-CG1 4.14Å; Y323-V339 HydrophobicContact CG-CG2 4.31Å
324	A	96.1	Very high	95	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.4	0	0	0	0	0	111.9	W320 L321 M326 E327 I328 V339 W340	W320-A324 WeakPolarHBondContact O-CB 3.38Å; W320-A324 PolarHBondContact O-N 3.41Å; L321-A324 PolarHBondContact O-N 3.46Å; A324-M326 VanDerWaalsContact C-N 3.31Å; A324-M326 PolarHBondContact O-N 3.06Å; A324-E327 PolarHBondContact O-N 3.16Å; A324-I328 VanDerWaalsContact O-CG1 3.28Å; A324-I328 WeakPolarHBondContact O-CG1 3.44Å; A324-I328 PolarHBondContact O-N 3.28Å; A324-V339 HydrophobicContact CB-CB 4.4Å; A324-V339 HydrophobicContact CB-CG1 3.86Å; A324-W340 HydrophobicContact CB-CD2 3.88Å; A324-W340 HydrophobicContact CB-CE3 4.28Å; A324-W340 HydrophobicContact CB-CG 4.48Å; A324-W340 HydrophobicContact CB-CH2 3.77Å; A324-W340 HydrophobicContact CB-CZ2 3.36Å; A324-W340 HydrophobicContact CB-CZ3 4.21Å
325	E	94.5	Very high	95.1	Very high	51 Å²	51	60 Å²	60	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-32.8	175.8	-75.3	170.8	180	0	0	112.8	L321 Q322 Y323 R329 K356	L321-E325 WeakPolarHBondContact O-CB 3.31Å; L321-E325 WeakPolarHBondContact O-CG 3.44Å; L321-E325 PolarHBondContact O-N 2.95Å; Q322-E325 PolarHBondContact NE2-OE2 2.87Å; Y323-E325 PolarHBondContact O-N 3.22Å; E325-R329 WeakPolarHBondContact O-CB 3.43Å; E325-R329 VanDerWaalsContact O-CG 3.28Å; E325-R329 WeakPolarHBondContact O-CG 3.3Å; E325-R329 PolarHBondContact O-N 3.33Å; E325-R329 PolarHBondContact O-NE 3.46Å; E325-K356 IonicContact OE1-NZ 2.87Å; E325-K356 PolarHBondContact OE1-NZ 3.37Å
326	M	95.2	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-45.8	172.8	179.7	-83.5	-63.6	0	0	111.2	E294 L299 R303 F306 Q322 Y323 A324 I328 R329 N330	E294-M326 HydrophobicContact CB-CG 4.28Å; E294-M326 HydrophobicContact CG-CG 4.06Å; L299-M326 HydrophobicContact CD2-SD 4.22Å; R303-M326 HydrophobicContact CG-CE 4.12Å; F306-M326 HydrophobicContact CD2-CE 3.85Å; F306-M326 HydrophobicContact CE2-CB 4.06Å; F306-M326 HydrophobicContact CE2-CE 3.94Å; F306-M326 HydrophobicContact CE2-CG 4.2Å; Q322-M326 VanDerWaalsContact O-CB 3.3Å; Q322-M326 WeakPolarHBondContact O-CB 3.37Å; Q322-M326 PolarHBondContact O-N 3.11Å; Y323-M326 HydrophobicContact CD2-CE 3.75Å; Y323-M326 HydrophobicContact CE2-CE 3.87Å; Y323-M326 WeakPolarHBondContact O-CB 3.44Å; Y323-M326 PolarHBondContact O-N 3.2Å; A324-M326 VanDerWaalsContact C-N 3.31Å; A324-M326 PolarHBondContact O-N 3.06Å; M326-I328 VanDerWaalsContact C-N 3.35Å; M326-I328 PolarHBondContact O-N 2.96Å; M326-R329 PolarHBondContact O-N 3.48Å; M326-N330 PolarHBondContact O-N 3.37Å; M326-N330 VanDerWaalsContact O-N 3.12Å; M326-N330 PolarHBondContact O-ND2 3.28Å
327	E	96.1	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-39.3	176.2	-64.4	-62.8	159.2	0	0	111.8	R303 Y323 A324 N330 R331 Q332 H335 A336	R303-E327 WeakPolarHBondContact CD-OE1 3.34Å; R303-E327 WeakPolarHBondContact CG-OE1 3.4Å; R303-E327 IonicContact CZ-OE1 3.44Å; R303-E327 IonicContact CZ-OE2 2.82Å; R303-E327 IonicContact NE-OE1 3.91Å; R303-E327 PolarHBondContact NE-OE1 3.22Å; R303-E327 IonicContact NE-OE2 3.68Å; R303-E327 PolarHBondContact NE-OE2 3.49Å; R303-E327 IonicContact NH2-OE1 2.65Å; R303-E327 IonicContact NH2-OE2 3.64Å; R303-E327 PolarHBondContact NH2-OE2 3.12Å; Y323-E327 HydrophobicContact CD2-CG 4.5Å; Y323-E327 HydrophobicContact CE2-CG 4.27Å; Y323-E327 PolarHBondContact O-N 3.05Å; A324-E327 PolarHBondContact O-N 3.16Å; E327-N330 CarbonylContact O-C 3.6Å; E327-N330 PolarHBondContact O-N 3.19Å; E327-R331 PolarHBondContact O-N 3.12Å; E327-Q332 HydrophobicContact CB-CB 4.28Å; E327-Q332 PolarHBondContact O-N 3.03Å; E327-Q332 WeakPolarHBondContact OE2-CB 3.48Å; E327-H335 HydrophobicContact CB-CB 4.44Å; E327-H335 HydrophobicContact CG-CB 4.01Å; E327-H335 IonicContact OE2-CD2 2.77Å; E327-A336 HydrophobicContact CB-CB 3.88Å
328	I	94.7	Very high	95.4	Very high	73 Å²	73	54.2 Å²	54.2	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-47.4	176.6	-66.4	166.2	0	0	0	111	A324 M326 N330 R331 A336 M360	A324-I328 VanDerWaalsContact O-CG1 3.28Å; A324-I328 WeakPolarHBondContact O-CG1 3.44Å; A324-I328 PolarHBondContact O-N 3.28Å; M326-I328 VanDerWaalsContact C-N 3.35Å; M326-I328 PolarHBondContact O-N 2.96Å; I328-N330 VanDerWaalsContact C-N 3.25Å; I328-N330 PolarHBondContact O-N 3.32Å; I328-R331 PolarHBondContact O-N 2.71Å; I328-A336 HydrophobicContact CD1-CB 4.44Å; I328-A336 HydrophobicContact CG1-CB 3.65Å; I328-M360 HydrophobicContact CD1-CG 4.3Å; I328-M360 HydrophobicContact CD1-SD 3.99Å; I328-M360 HydrophobicContact CG1-SD 4.14Å
329	R	93.7	Very high	95.4	Very high	127 Å²	127	51.4 Å²	51.4	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-38	179	-80	-177.1	-70.6	140.8	2.7	112.1	E294 E325 M326 R331	E294-R329 VanDerWaalsContact CD-CZ 3.47Å; E294-R329 VanDerWaalsContact CD-NH2 3.35Å; E294-R329 IonicContact OE1-CZ 3.11Å; E294-R329 IonicContact OE1-NE 3.33Å; E294-R329 IonicContact OE1-NH1 3.67Å; E294-R329 PolarHBondContact OE1-NH1 3.18Å; E294-R329 IonicContact OE1-NH2 2.8Å; E294-R329 PolarHBondContact OE1-NH2 3.05Å; E294-R329 IonicContact OE2-CZ 3.83Å; E294-R329 IonicContact OE2-NH1 2.73Å; E294-R329 PolarHBondContact OE2-NH1 2.72Å; E294-R329 IonicContact OE2-NH2 2.71Å; E294-R329 PolarHBondContact OE2-NH2 3.14Å; E325-R329 WeakPolarHBondContact O-CB 3.43Å; E325-R329 VanDerWaalsContact O-CG 3.28Å; E325-R329 WeakPolarHBondContact O-CG 3.3Å; E325-R329 PolarHBondContact O-N 3.33Å; E325-R329 PolarHBondContact O-NE 3.46Å; M326-R329 PolarHBondContact O-N 3.48Å; R329-R331 VanDerWaalsContact C-N 3.27Å; R329-R331 PolarHBondContact O-N 2.8Å
330	N	93.9	Very high	95.5	Very high	50 Å²	50	51.4 Å²	51.4	27%	0.267	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	13.6	179.1	-64.5	-62.3	0	0	0	113.9	E294 L299 M326 E327 I328 Q332	E294-N330 PolarHBondContact OE1-ND2 3.11Å; E294-N330 VanDerWaalsContact OE1-ND2 3.11Å; L299-N330 HydrophobicContact CD1-CB 3.74Å; L299-N330 HydrophobicContact CD2-CB 4.03Å; L299-N330 VanDerWaalsContact CD2-CG 3.43Å; L299-N330 WeakPolarHBondContact CD2-ND2 3.3Å; M326-N330 PolarHBondContact O-N 3.37Å; M326-N330 VanDerWaalsContact O-N 3.12Å; M326-N330 PolarHBondContact O-ND2 3.28Å; E327-N330 CarbonylContact O-C 3.6Å; E327-N330 PolarHBondContact O-N 3.19Å; I328-N330 VanDerWaalsContact C-N 3.25Å; I328-N330 PolarHBondContact O-N 3.32Å; N330-Q332 HydrophobicContact CB-CG 4.43Å; N330-Q332 PolarHBondContact O-N 3.45Å
331	R	92.9	Very high	95.5	Very high	215 Å²	215	54 Å²	54	81%	0.811	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	21.4	176.5	-51.7	-179.1	-179.3	-160.7	-1	114.7	E327 I328 R329 I333	E327-R331 PolarHBondContact O-N 3.12Å; I328-R331 PolarHBondContact O-N 2.71Å; R329-R331 VanDerWaalsContact C-N 3.27Å; R329-R331 PolarHBondContact O-N 2.8Å; R331-I333 VanDerWaalsContact C-N 3.32Å; R331-I333 PolarHBondContact O-N 2.73Å; R331-I333 VanDerWaalsContact O-N 3.15Å
332	Q	94.8	Very high	95.4	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.36	26%	0.26	S	S	.	.			trans	-90.2	65.2	178.9	-60	-60.3	-36.9	0	0	110.8	E327 N330 N334 H335 A336	E327-Q332 HydrophobicContact CB-CB 4.28Å; E327-Q332 PolarHBondContact O-N 3.03Å; E327-Q332 WeakPolarHBondContact OE2-CB 3.48Å; N330-Q332 HydrophobicContact CB-CG 4.43Å; N330-Q332 PolarHBondContact O-N 3.45Å; Q332-N334 PolarHBondContact O-N 2.93Å; Q332-H335 HydrophobicContact CB-CB 4.35Å; Q332-H335 PolarHBondContact O-N 3.21Å; Q332-H335 VanDerWaalsContact O-N 3.15Å; Q332-A336 PolarHBondContact O-N 3.46Å
333	I	94.2	Very high	95.5	Very high	63 Å²	63	55.8 Å²	55.8	32%	0.323	25%	0.251	S	S	.	.	H	α-helix	trans	-59	-42.9	-169.1	-64.5	160.6	0	0	0	112.6	R331 H335 A336 R337 L364	R331-I333 VanDerWaalsContact C-N 3.32Å; R331-I333 PolarHBondContact O-N 2.73Å; R331-I333 VanDerWaalsContact O-N 3.15Å; I333-H335 VanDerWaalsContact C-N 3.3Å; I333-H335 PolarHBondContact O-N 2.79Å; I333-A336 WeakPolarHBondContact O-CB 3.32Å; I333-A336 PolarHBondContact O-N 2.82Å; I333-R337 WeakPolarHBondContact O-CG 3.35Å; I333-R337 PolarHBondContact O-N 3.18Å; I333-L364 HydrophobicContact CD1-CD2 3.61Å; I333-L364 HydrophobicContact CG1-CD2 4.14Å; I333-L364 HydrophobicContact CG2-CD1 3.43Å; I333-L364 VanDerWaalsContact CG2-CD1 3.43Å; I333-L364 HydrophobicContact CG2-CD2 4.3Å
334	N	95.4	Very high	95.4	Very high	106 Å²	106	55.2 Å²	55.2	57%	0.567	25%	0.25	S	C	*	.	H	α-helix	trans	-67.6	-31.9	-178.3	-69	-24.6	0	0	0	112.3	Q332 R337 N338	Q332-N334 PolarHBondContact O-N 2.93Å; N334-R337 PolarHBondContact OD1-NH1 3.06Å; N334-R337 VanDerWaalsContact OD1-NH1 3.1Å; N334-N338 PolarHBondContact O-N 3.19Å; N334-N338 VanDerWaalsContact O-N 3.13Å; N334-N338 PolarHBondContact O-ND2 3.36Å; N334-N338 PolarHBondContact O-OD1 3.2Å
335	H	95.7	Very high	95.3	Very high	75 Å²	75	58.7 Å²	58.7	35%	0.347	27%	0.274	S	S	.	.	H	α-helix	trans	-72.8	-40.8	173.2	-65.6	-13.8	0	0	0	111.3	R303 E327 Q332 I333 R337 N338 V339	R303-H335 VanDerWaalsContact CZ-CD2 3.43Å; R303-H335 PolarHBondContact NH2-CD2 3.28Å; R303-H335 VanDerWaalsContact NH2-CD2 3.28Å; E327-H335 HydrophobicContact CB-CB 4.44Å; E327-H335 HydrophobicContact CG-CB 4.01Å; E327-H335 IonicContact OE2-CD2 2.77Å; Q332-H335 HydrophobicContact CB-CB 4.35Å; Q332-H335 PolarHBondContact O-N 3.21Å; Q332-H335 VanDerWaalsContact O-N 3.15Å; I333-H335 VanDerWaalsContact C-N 3.3Å; I333-H335 PolarHBondContact O-N 2.79Å; H335-R337 VanDerWaalsContact C-N 3.3Å; H335-R337 PolarHBondContact O-N 2.93Å; H335-N338 PolarHBondContact O-N 3.3Å; H335-N338 VanDerWaalsContact O-N 3.16Å; H335-V339 VanDerWaalsContact O-CG2 3.31Å; H335-V339 WeakPolarHBondContact O-CG2 3.49Å; H335-V339 PolarHBondContact O-N 3.31Å
336	A	96.2	Very high	95.3	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-43.4	172.1	0	0	0	0	0	112	E327 I328 Q332 I333 N338 V339 W340 M360	E327-A336 HydrophobicContact CB-CB 3.88Å; I328-A336 HydrophobicContact CD1-CB 4.44Å; I328-A336 HydrophobicContact CG1-CB 3.65Å; Q332-A336 PolarHBondContact O-N 3.46Å; I333-A336 WeakPolarHBondContact O-CB 3.32Å; I333-A336 PolarHBondContact O-N 2.82Å; A336-N338 PolarHBondContact O-N 3.17Å; A336-V339 PolarHBondContact O-N 3.44Å; A336-W340 VanDerWaalsContact O-CD1 3.24Å; A336-W340 PolarHBondContact O-N 3.28Å; A336-M360 HydrophobicContact CB-SD 3.95Å
337	R	96.3	Very high	95.3	Very high	65 Å²	65	62.6 Å²	62.6	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-48.4	173.1	-76	178	175.9	137	-2.7	112.4	I333 N334 H335 V339 W340 D341 M360 E361	I333-R337 WeakPolarHBondContact O-CG 3.35Å; I333-R337 PolarHBondContact O-N 3.18Å; N334-R337 PolarHBondContact OD1-NH1 3.06Å; N334-R337 VanDerWaalsContact OD1-NH1 3.1Å; H335-R337 VanDerWaalsContact C-N 3.3Å; H335-R337 PolarHBondContact O-N 2.93Å; R337-V339 VanDerWaalsContact C-N 3.31Å; R337-V339 PolarHBondContact O-N 3.17Å; R337-W340 PolarHBondContact O-N 3.21Å; R337-D341 VanDerWaalsContact O-CB 3.31Å; R337-D341 WeakPolarHBondContact O-CB 3.22Å; R337-D341 PolarHBondContact O-N 3.14Å; R337-M360 HydrophobicContact CB-CE 4.46Å; R337-M360 HydrophobicContact CG-CE 3.51Å; R337-E361 WeakPolarHBondContact CD-OE1 3.41Å; R337-E361 WeakPolarHBondContact CG-OE1 3.5Å; R337-E361 IonicContact CZ-OE1 3.42Å; R337-E361 IonicContact CZ-OE2 3.77Å; R337-E361 IonicContact NE-OE1 2.73Å; R337-E361 PolarHBondContact NE-OE1 3.24Å; R337-E361 IonicContact NE-OE2 3.42Å; R337-E361 IonicContact NH2-OE1 3.65Å; R337-E361 IonicContact NH2-OE2 2.87Å; R337-E361 PolarHBondContact NH2-OE2 3.03Å; R337-E361 VanDerWaalsContact NH2-OE2 3.14Å
338	N	96.3	Very high	95.1	Very high	99 Å²	99	63.7 Å²	63.7	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-38.5	178.4	-66.3	-13.7	0	0	0	112	N334 H335 A336 R342	N334-N338 PolarHBondContact O-N 3.19Å; N334-N338 VanDerWaalsContact O-N 3.13Å; N334-N338 PolarHBondContact O-ND2 3.36Å; N334-N338 PolarHBondContact O-OD1 3.2Å; H335-N338 PolarHBondContact O-N 3.3Å; H335-N338 VanDerWaalsContact O-N 3.16Å; A336-N338 PolarHBondContact O-N 3.17Å; N338-R342 WeakPolarHBondContact O-CB 3.5Å; N338-R342 WeakPolarHBondContact O-CD 3.29Å; N338-R342 WeakPolarHBondContact O-CG 3.25Å; N338-R342 PolarHBondContact O-N 3.03Å
339	V	96.4	Very high	95	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-45.9	176.4	176	0	0	0	0	110.7	W320 Y323 A324 H335 A336 R337 R342 A343	W320-V339 HydrophobicContact CE3-CG1 3.95Å; W320-V339 HydrophobicContact CZ3-CG1 4.3Å; Y323-V339 HydrophobicContact CD1-CB 4.41Å; Y323-V339 HydrophobicContact CD1-CG1 3.64Å; Y323-V339 HydrophobicContact CD1-CG2 3.77Å; Y323-V339 HydrophobicContact CE1-CB 4.48Å; Y323-V339 HydrophobicContact CE1-CG1 4.14Å; Y323-V339 HydrophobicContact CE1-CG2 3.45Å; Y323-V339 VanDerWaalsContact CE1-CG2 3.45Å; Y323-V339 HydrophobicContact CE2-CG2 4.22Å; Y323-V339 HydrophobicContact CG-CG1 4.14Å; Y323-V339 HydrophobicContact CG-CG2 4.31Å; A324-V339 HydrophobicContact CB-CB 4.4Å; A324-V339 HydrophobicContact CB-CG1 3.86Å; H335-V339 VanDerWaalsContact O-CG2 3.31Å; H335-V339 WeakPolarHBondContact O-CG2 3.49Å; H335-V339 PolarHBondContact O-N 3.31Å; A336-V339 PolarHBondContact O-N 3.44Å; R337-V339 VanDerWaalsContact C-N 3.31Å; R337-V339 PolarHBondContact O-N 3.17Å; V339-R342 PolarHBondContact O-N 2.88Å; V339-A343 WeakPolarHBondContact O-CB 3.32Å; V339-A343 PolarHBondContact O-N 2.95Å
340	W	96.9	Very high	95	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.9	-75.5	129.7	0	0	0	112.6	L321 A324 A336 R337 R342 A343 V344 F353 K356 Y357 M360	L321-W340 HydrophobicContact CD2-CH2 3.58Å; L321-W340 HydrophobicContact CD2-CZ3 3.96Å; A324-W340 HydrophobicContact CB-CD2 3.88Å; A324-W340 HydrophobicContact CB-CE3 4.28Å; A324-W340 HydrophobicContact CB-CG 4.48Å; A324-W340 HydrophobicContact CB-CH2 3.77Å; A324-W340 HydrophobicContact CB-CZ2 3.36Å; A324-W340 HydrophobicContact CB-CZ3 4.21Å; A336-W340 VanDerWaalsContact O-CD1 3.24Å; A336-W340 PolarHBondContact O-N 3.28Å; R337-W340 PolarHBondContact O-N 3.21Å; W340-R342 VanDerWaalsContact C-N 3.32Å; W340-R342 PolarHBondContact O-N 3.1Å; W340-A343 HydrophobicContact CE3-CB 4.37Å; W340-A343 WeakPolarHBondContact O-CB 3.43Å; W340-A343 PolarHBondContact O-N 3.48Å; W340-A343 VanDerWaalsContact O-N 3.07Å; W340-V344 WeakPolarHBondContact O-CG2 3.34Å; W340-V344 PolarHBondContact O-N 2.89Å; W340-F353 HydrophobicContact CE3-CB 4.3Å; W340-F353 HydrophobicContact CE3-CD1 4.39Å; W340-F353 HydrophobicContact CZ3-CB 4.29Å; W340-F353 AromaticContact CZ3-CD1 3.68Å; W340-F353 HydrophobicContact CZ3-CD1 3.68Å; W340-F353 HydrophobicContact CZ3-CE1 4.36Å; W340-F353 HydrophobicContact CZ3-CG 4.28Å; W340-K356 HydrophobicContact CH2-CB 3.7Å; W340-K356 HydrophobicContact CH2-CD 3.62Å; W340-K356 HydrophobicContact CH2-CG 4.32Å; W340-K356 HydrophobicContact CZ2-CB 3.61Å; W340-K356 HydrophobicContact CZ2-CD 3.96Å; W340-K356 HydrophobicContact CZ2-CG 4.42Å; W340-K356 HydrophobicContact CZ3-CB 4.33Å; W340-Y357 HydrophobicContact CB-CD1 4.04Å; W340-Y357 HydrophobicContact CB-CD2 3.71Å; W340-Y357 HydrophobicContact CB-CE1 4.4Å; W340-Y357 HydrophobicContact CB-CE2 4.13Å; W340-Y357 HydrophobicContact CB-CG 3.68Å; W340-Y357 HydrophobicContact CG-CD2 4.05Å; W340-Y357 HydrophobicContact CG-CG 4.13Å; W340-M360 VanDerWaalsContact CD1-SD 3.59Å
341	D	96.3	Very high	95	Very high	56 Å²	56	64.6 Å²	64.6	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-41	179.1	-168.2	68.4	0	0	0	111.5	R337 V344 S345 R376	R337-D341 VanDerWaalsContact O-CB 3.31Å; R337-D341 WeakPolarHBondContact O-CB 3.22Å; R337-D341 PolarHBondContact O-N 3.14Å; D341-V344 WeakPolarHBondContact O-CG2 3.49Å; D341-S345 VanDerWaalsContact O-CB 3.26Å; D341-S345 WeakPolarHBondContact O-CB 3.39Å; D341-S345 PolarHBondContact O-N 3Å; D341-S345 VanDerWaalsContact O-N 3.08Å; D341-S345 PolarHBondContact O-OG 3.45Å; D341-R376 IonicContact OD1-CZ 2.74Å; D341-R376 VanDerWaalsContact OD1-CZ 3.27Å; D341-R376 IonicContact OD1-NH1 3.71Å; D341-R376 PolarHBondContact OD1-NH1 3.31Å; D341-R376 IonicContact OD1-NH2 3.79Å; D341-R376 PolarHBondContact OD1-NH2 3.07Å
342	R	95.9	Very high	95	Very high	97 Å²	97	59.3 Å²	59.3	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-44.6	170.2	-75.5	170	63.4	-159.6	1.2	111.9	E307 W320 N338 V339 W340 S345 L346	E307-R342 IonicContact OE1-CZ 2.84Å; E307-R342 IonicContact OE1-NH1 3.41Å; E307-R342 PolarHBondContact OE1-NH1 3.06Å; E307-R342 IonicContact OE1-NH2 3.45Å; E307-R342 IonicContact OE2-CZ 2.8Å; E307-R342 IonicContact OE2-NH1 2.62Å; E307-R342 PolarHBondContact OE2-NH1 3.37Å; E307-R342 IonicContact OE2-NH2 3.37Å; E307-R342 PolarHBondContact OE2-NH2 3.45Å; W320-R342 HydrophobicContact CH2-CB 4.15Å; W320-R342 HydrophobicContact CZ3-CB 3.96Å; N338-R342 WeakPolarHBondContact O-CB 3.5Å; N338-R342 WeakPolarHBondContact O-CD 3.29Å; N338-R342 WeakPolarHBondContact O-CG 3.25Å; N338-R342 PolarHBondContact O-N 3.03Å; V339-R342 PolarHBondContact O-N 2.88Å; W340-R342 VanDerWaalsContact C-N 3.32Å; W340-R342 PolarHBondContact O-N 3.1Å; R342-S345 PolarHBondContact O-N 3.43Å; R342-L346 WeakPolarHBondContact O-CB 3.3Å; R342-L346 WeakPolarHBondContact O-CG 3.41Å; R342-L346 PolarHBondContact O-N 3.29Å
343	A	96.6	Very high	95.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-47.1	-177.9	0	0	0	0	0	112.1	W320 V339 W340 S345 L346 L347 F353	W320-A343 HydrophobicContact CB-CB 4.38Å; W320-A343 HydrophobicContact CD2-CB 3.89Å; W320-A343 HydrophobicContact CE3-CB 3.66Å; W320-A343 HydrophobicContact CG-CB 4.23Å; W320-A343 HydrophobicContact CZ3-CB 4.23Å; V339-A343 WeakPolarHBondContact O-CB 3.32Å; V339-A343 PolarHBondContact O-N 2.95Å; W340-A343 HydrophobicContact CE3-CB 4.37Å; W340-A343 WeakPolarHBondContact O-CB 3.43Å; W340-A343 PolarHBondContact O-N 3.48Å; W340-A343 VanDerWaalsContact O-N 3.07Å; A343-S345 VanDerWaalsContact C-N 3.33Å; A343-S345 PolarHBondContact O-N 2.85Å; A343-L346 PolarHBondContact O-N 2.97Å; A343-L347 PolarHBondContact O-N 3.04Å; A343-F353 HydrophobicContact CB-CD2 3.79Å; A343-F353 HydrophobicContact CB-CE2 3.97Å; A343-F353 HydrophobicContact CB-CG 4.09Å; A343-F353 HydrophobicContact CB-CZ 4.39Å
344	V	95.4	Very high	95.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-32.2	178.1	-61.2	0	0	0	0	112.2	W340 D341 P348 F353 W354 Y357	W340-V344 WeakPolarHBondContact O-CG2 3.34Å; W340-V344 PolarHBondContact O-N 2.89Å; D341-V344 WeakPolarHBondContact O-CG2 3.49Å; V344-P348 VanDerWaalsContact O-CA 3.24Å; V344-P348 WeakPolarHBondContact O-CA 3.49Å; V344-F353 HydrophobicContact CG1-CB 3.78Å; V344-W354 HydrophobicContact CB-CD2 4.15Å; V344-W354 HydrophobicContact CB-CE3 4.25Å; V344-W354 HydrophobicContact CB-CH2 3.95Å; V344-W354 HydrophobicContact CB-CZ2 3.8Å; V344-W354 HydrophobicContact CB-CZ3 4.16Å; V344-W354 HydrophobicContact CG1-CD2 3.79Å; V344-W354 HydrophobicContact CG1-CE3 3.96Å; V344-W354 HydrophobicContact CG1-CG 4.23Å; V344-W354 HydrophobicContact CG1-CZ2 4.38Å; V344-W354 HydrophobicContact CG1-CZ3 4.34Å; V344-W354 HydrophobicContact CG2-CH2 4.2Å; V344-W354 HydrophobicContact CG2-CZ3 4.29Å; V344-Y357 HydrophobicContact CG1-CD1 4.34Å
345	S	94.3	Very high	95.2	Very high	73 Å²	73	50.7 Å²	50.7	51%	0.51	25%	0.248	S	C	.	.	H	α-helix	trans	-71.6	-38.4	177.4	-59.5	0	0	0	0	112.5	D341 R342 A343	D341-S345 VanDerWaalsContact O-CB 3.26Å; D341-S345 WeakPolarHBondContact O-CB 3.39Å; D341-S345 PolarHBondContact O-N 3Å; D341-S345 VanDerWaalsContact O-N 3.08Å; D341-S345 PolarHBondContact O-OG 3.45Å; R342-S345 PolarHBondContact O-N 3.43Å; A343-S345 VanDerWaalsContact C-N 3.33Å; A343-S345 PolarHBondContact O-N 2.85Å
346	L	94.6	Very high	95.2	Very high	98 Å²	98	50.8 Å²	50.8	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-81	-35.2	179.3	-70.6	172.7	0	0	0	112.9	W320 R342 A343	W320-L346 HydrophobicContact CH2-CD1 3.68Å; W320-L346 HydrophobicContact CZ2-CD1 3.58Å; R342-L346 WeakPolarHBondContact O-CB 3.3Å; R342-L346 WeakPolarHBondContact O-CG 3.41Å; R342-L346 PolarHBondContact O-N 3.29Å; A343-L346 PolarHBondContact O-N 2.97Å
347	L	94.1	Very high	95.2	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.183	25%	0.251	C	S	.	.			trans	-131.6	67.1	-174.6	-64.3	172.9	0	0	0	110.7	A343 R349 A350 F353	A343-L347 PolarHBondContact O-N 3.04Å; L347-R349 PolarHBondContact O-N 3.33Å; L347-R349 VanDerWaalsContact O-N 3.13Å; L347-A350 HydrophobicContact CB-CB 4.26Å; L347-A350 WeakPolarHBondContact O-CB 3.24Å; L347-A350 PolarHBondContact O-N 3.12Å; L347-F353 HydrophobicContact CB-CD2 4.22Å; L347-F353 HydrophobicContact CB-CE2 3.77Å; L347-F353 HydrophobicContact CD1-CE2 3.74Å; L347-F353 HydrophobicContact CD1-CZ 4.24Å; L347-F353 HydrophobicContact CG-CE2 4.38Å
348	P	93.7	Very high	95.1	Very high	22 Å²	22	49 Å²	49	14%	0.143	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.7	-174.7	25.6	-35.2	0	0	0	113.5	V344 A350 W354 W380	V344-P348 VanDerWaalsContact O-CA 3.24Å; V344-P348 WeakPolarHBondContact O-CA 3.49Å; P348-A350 VanDerWaalsContact C-N 3.34Å; P348-W354 HydrophobicContact CB-CZ2 4.38Å; P348-W354 PolarHBondContact O-NE1 2.89Å; P348-W380 HydrophobicContact CB-CD2 3.7Å; P348-W380 VanDerWaalsContact CB-CE2 3.46Å; P348-W380 HydrophobicContact CB-CE3 4.17Å; P348-W380 HydrophobicContact CB-CG 4.15Å; P348-W380 HydrophobicContact CB-CH2 4.2Å; P348-W380 HydrophobicContact CB-CZ2 3.74Å; P348-W380 HydrophobicContact CB-CZ3 4.4Å; P348-W380 HydrophobicContact CG-CD2 4.22Å; P348-W380 HydrophobicContact CG-CE3 4.22Å; P348-W380 HydrophobicContact CG-CH2 3.77Å; P348-W380 HydrophobicContact CG-CZ2 3.76Å; P348-W380 HydrophobicContact CG-CZ3 4.01Å
349	R	92.2	Very high	95.1	Very high	170 Å²	170	50.8 Å²	50.8	64%	0.642	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.5	177.3	-63.1	-62	-178	-171.2	-4.5	113.6	L347 I351 W380	L347-R349 PolarHBondContact O-N 3.33Å; L347-R349 VanDerWaalsContact O-N 3.13Å; R349-I351 PolarHBondContact O-N 3.47Å; R349-W380 PolarHBondContact NH1-O 3.17Å
350	A	93	Very high	95	Very high	20 Å²	20	51.4 Å²	51.4	17%	0.165	24%	0.244	C	C	.	.			trans	-78.8	90.7	177.9	0	0	0	0	0	110.7	V317 L347 P348 Q352 F353	V317-A350 HydrophobicContact CG2-CB 4.44Å; L347-A350 HydrophobicContact CB-CB 4.26Å; L347-A350 WeakPolarHBondContact O-CB 3.24Å; L347-A350 PolarHBondContact O-N 3.12Å; P348-A350 VanDerWaalsContact C-N 3.34Å; A350-Q352 PolarHBondContact O-N 3.19Å; A350-F353 HydrophobicContact CB-CD2 3.54Å; A350-F353 HydrophobicContact CB-CE2 3.68Å; A350-F353 HydrophobicContact CB-CG 4.1Å; A350-F353 HydrophobicContact CB-CZ 4.34Å; A350-F353 PolarHBondContact O-N 2.85Å
351	I	93.8	Very high	94.9	Very high	79 Å²	79	51.5 Å²	51.5	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-51.2	-34.3	-178.8	-67.1	166.7	0	0	0	112.8	R349 F353 W354 L355 W377	R349-I351 PolarHBondContact O-N 3.47Å; I351-F353 PolarHBondContact O-N 3.33Å; I351-W354 PolarHBondContact O-N 3.5Å; I351-L355 HydrophobicContact CG2-CD1 3.69Å; I351-L355 HydrophobicContact CG2-CG 4.02Å; I351-L355 WeakPolarHBondContact O-CG 3.46Å; I351-L355 PolarHBondContact O-N 2.87Å; I351-W377 HydrophobicContact CB-CZ2 4.31Å; I351-W377 HydrophobicContact CG1-CZ2 4.25Å; I351-W377 HydrophobicContact CG2-CH2 4.09Å; I351-W377 HydrophobicContact CG2-CZ2 3.77Å
352	Q	93.8	Very high	94.9	Very high	104 Å²	104	50.1 Å²	50.1	49%	0.486	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-33.3	-179.2	-63.4	179.2	2.4	0	0	113.1	V317 A350 K356	V317-Q352 VanDerWaalsContact CG1-OE1 3.28Å; A350-Q352 PolarHBondContact O-N 3.19Å; Q352-K356 WeakPolarHBondContact O-CB 3.31Å; Q352-K356 PolarHBondContact O-N 2.83Å; Q352-K356 VanDerWaalsContact O-N 3.08Å
353	F	95.8	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-46.9	179.3	-60.9	-22	0	0	0	111.3	V317 W320 L321 W340 A343 V344 L347 A350 I351 L355 K356 Y357	V317-F353 HydrophobicContact CB-CE1 4.3Å; V317-F353 HydrophobicContact CB-CZ 4.15Å; V317-F353 HydrophobicContact CG1-CD1 4.34Å; V317-F353 HydrophobicContact CG1-CE1 3.5Å; V317-F353 HydrophobicContact CG1-CZ 3.81Å; V317-F353 HydrophobicContact CG2-CZ 4.25Å; W320-F353 HydrophobicContact CB-CE1 3.64Å; W320-F353 HydrophobicContact CB-CE2 4.49Å; W320-F353 HydrophobicContact CB-CZ 3.54Å; W320-F353 AromaticContact CD1-CZ 3.71Å; W320-F353 HydrophobicContact CG-CE1 4.35Å; W320-F353 HydrophobicContact CG-CE2 4.4Å; W320-F353 AromaticContact CG-CZ 3.75Å; W320-F353 HydrophobicContact CG-CZ 3.75Å; L321-F353 HydrophobicContact CD2-CD1 3.99Å; L321-F353 HydrophobicContact CD2-CE1 3.99Å; L321-F353 HydrophobicContact CG-CE1 4.25Å; W340-F353 HydrophobicContact CE3-CB 4.3Å; W340-F353 HydrophobicContact CE3-CD1 4.39Å; W340-F353 HydrophobicContact CZ3-CB 4.29Å; W340-F353 AromaticContact CZ3-CD1 3.68Å; W340-F353 HydrophobicContact CZ3-CD1 3.68Å; W340-F353 HydrophobicContact CZ3-CE1 4.36Å; W340-F353 HydrophobicContact CZ3-CG 4.28Å; A343-F353 HydrophobicContact CB-CD2 3.79Å; A343-F353 HydrophobicContact CB-CE2 3.97Å; A343-F353 HydrophobicContact CB-CG 4.09Å; A343-F353 HydrophobicContact CB-CZ 4.39Å; V344-F353 HydrophobicContact CG1-CB 3.78Å; L347-F353 HydrophobicContact CB-CD2 4.22Å; L347-F353 HydrophobicContact CB-CE2 3.77Å; L347-F353 HydrophobicContact CD1-CE2 3.74Å; L347-F353 HydrophobicContact CD1-CZ 4.24Å; L347-F353 HydrophobicContact CG-CE2 4.38Å; A350-F353 HydrophobicContact CB-CD2 3.54Å; A350-F353 HydrophobicContact CB-CE2 3.68Å; A350-F353 HydrophobicContact CB-CG 4.1Å; A350-F353 HydrophobicContact CB-CZ 4.34Å; A350-F353 PolarHBondContact O-N 2.85Å; I351-F353 PolarHBondContact O-N 3.33Å; F353-L355 PolarHBondContact O-N 3.24Å; F353-K356 PolarHBondContact O-N 3.12Å; F353-Y357 WeakPolarHBondContact O-CB 3.4Å; F353-Y357 PolarHBondContact O-N 3.41Å
354	W	96.2	Very high	94.6	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-47.5	176.7	-63	103	0	0	0	111.8	V344 P348 I351 K356 Y357 T358 V373 R376 W377 W380	V344-W354 HydrophobicContact CB-CD2 4.15Å; V344-W354 HydrophobicContact CB-CE3 4.25Å; V344-W354 HydrophobicContact CB-CH2 3.95Å; V344-W354 HydrophobicContact CB-CZ2 3.8Å; V344-W354 HydrophobicContact CB-CZ3 4.16Å; V344-W354 HydrophobicContact CG1-CD2 3.79Å; V344-W354 HydrophobicContact CG1-CE3 3.96Å; V344-W354 HydrophobicContact CG1-CG 4.23Å; V344-W354 HydrophobicContact CG1-CZ2 4.38Å; V344-W354 HydrophobicContact CG1-CZ3 4.34Å; V344-W354 HydrophobicContact CG2-CH2 4.2Å; V344-W354 HydrophobicContact CG2-CZ3 4.29Å; P348-W354 HydrophobicContact CB-CZ2 4.38Å; P348-W354 PolarHBondContact O-NE1 2.89Å; I351-W354 PolarHBondContact O-N 3.5Å; W354-K356 PolarHBondContact O-N 3.18Å; W354-Y357 PolarHBondContact O-N 2.85Å; W354-T358 WeakPolarHBondContact O-CG2 3.26Å; W354-T358 PolarHBondContact O-N 2.94Å; W354-T358 PolarHBondContact O-OG1 2.88Å; W354-V373 HydrophobicContact CE3-CG1 3.84Å; W354-V373 HydrophobicContact CZ3-CG1 4.14Å; W354-R376 HydrophobicContact CH2-CB 4.15Å; W354-R376 HydrophobicContact CZ3-CB 4Å; W354-W377 HydrophobicContact CB-CD2 3.49Å; W354-W377 VanDerWaalsContact CB-CD2 3.49Å; W354-W377 HydrophobicContact CB-CE3 3.8Å; W354-W377 HydrophobicContact CB-CG 3.91Å; W354-W377 HydrophobicContact CB-CH2 4.2Å; W354-W377 HydrophobicContact CB-CZ2 3.92Å; W354-W377 HydrophobicContact CB-CZ3 4.14Å; W354-W377 AromaticContact CD1-CD1 3.57Å; W354-W377 AromaticContact CD1-CE2 3.85Å; W354-W377 AromaticContact CD1-NE1 3.37Å; W354-W377 HydrophobicContact CD2-CB 3.79Å; W354-W377 AromaticContact CD2-CD1 3.49Å; W354-W377 VanDerWaalsContact CD2-CD1 3.49Å; W354-W377 HydrophobicContact CD2-CD2 4.12Å; W354-W377 AromaticContact CD2-CG 3.52Å; W354-W377 HydrophobicContact CD2-CG 3.52Å; W354-W377 AromaticContact CE2-CD1 3.55Å; W354-W377 HydrophobicContact CE3-CB 3.49Å; W354-W377 VanDerWaalsContact CE3-CB 3.49Å; W354-W377 HydrophobicContact CE3-CD2 4.49Å; W354-W377 AromaticContact CE3-CG 3.77Å; W354-W377 HydrophobicContact CE3-CG 3.77Å; W354-W377 HydrophobicContact CG-CB 4.34Å; W354-W377 AromaticContact CG-CD1 3.49Å; W354-W377 VanDerWaalsContact CG-CD1 3.49Å; W354-W377 AromaticContact CG-CD2 3.71Å; W354-W377 HydrophobicContact CG-CD2 3.71Å; W354-W377 AromaticContact CG-CE2 3.67Å; W354-W377 HydrophobicContact CG-CE3 4.47Å; W354-W377 AromaticContact CG-CG 3.61Å; W354-W377 HydrophobicContact CG-CG 3.61Å; W354-W377 HydrophobicContact CG-CZ2 4.4Å; W354-W377 AromaticContact CG-NE1 3.52Å; W354-W377 HydrophobicContact CH2-CB 4.33Å; W354-W377 HydrophobicContact CZ3-CB 3.79Å; W354-W377 HydrophobicContact CZ3-CG 4.42Å; W354-W377 AromaticContact NE1-CD1 3.59Å; W354-W377 AromaticContact NE1-NE1 3.75Å; W354-W380 AromaticContact CZ2-CD1 3.84Å
355	L	95.6	Very high	94.5	Very high	62 Å²	62	57 Å²	57	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-44.9	178.9	-69.6	176	0	0	0	112.6	I351 F353 Y357 T358 Y359 W377 T389	I351-L355 HydrophobicContact CG2-CD1 3.69Å; I351-L355 HydrophobicContact CG2-CG 4.02Å; I351-L355 WeakPolarHBondContact O-CG 3.46Å; I351-L355 PolarHBondContact O-N 2.87Å; F353-L355 PolarHBondContact O-N 3.24Å; L355-Y357 VanDerWaalsContact C-N 3.34Å; L355-T358 PolarHBondContact O-OG1 3.19Å; L355-Y359 WeakPolarHBondContact O-CB 3.43Å; L355-Y359 PolarHBondContact O-N 3.41Å; L355-W377 HydrophobicContact CD2-CH2 3.67Å; L355-W377 HydrophobicContact CD2-CZ3 3.88Å; L355-W377 HydrophobicContact CG-CH2 3.95Å; L355-W377 HydrophobicContact CG-CZ3 4.46Å; L355-T389 HydrophobicContact CD2-CG2 4.01Å
356	K	95.2	Very high	94.5	Very high	77 Å²	77	56.3 Å²	56.3	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-70.2	-33.2	178	-77.5	-179.3	-179.7	-92.1	0	112.2	L321 E325 W340 Q352 F353 W354 M360	L321-K356 HydrophobicContact CD2-CD 3.51Å; E325-K356 IonicContact OE1-NZ 2.87Å; E325-K356 PolarHBondContact OE1-NZ 3.37Å; W340-K356 HydrophobicContact CH2-CB 3.7Å; W340-K356 HydrophobicContact CH2-CD 3.62Å; W340-K356 HydrophobicContact CH2-CG 4.32Å; W340-K356 HydrophobicContact CZ2-CB 3.61Å; W340-K356 HydrophobicContact CZ2-CD 3.96Å; W340-K356 HydrophobicContact CZ2-CG 4.42Å; W340-K356 HydrophobicContact CZ3-CB 4.33Å; Q352-K356 WeakPolarHBondContact O-CB 3.31Å; Q352-K356 PolarHBondContact O-N 2.83Å; Q352-K356 VanDerWaalsContact O-N 3.08Å; F353-K356 PolarHBondContact O-N 3.12Å; W354-K356 PolarHBondContact O-N 3.18Å; K356-M360 VanDerWaalsContact O-CB 3.29Å; K356-M360 WeakPolarHBondContact O-CB 3.44Å; K356-M360 PolarHBondContact O-N 3.2Å
357	Y	96.3	Very high	94.5	Very high	21 Å²	21	53.8 Å²	53.8	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-70.7	-47.6	178.3	-171.5	-162.9	0	0	0	111.5	W340 V344 F353 W354 L355 Y359 M360 E361 V373	W340-Y357 HydrophobicContact CB-CD1 4.04Å; W340-Y357 HydrophobicContact CB-CD2 3.71Å; W340-Y357 HydrophobicContact CB-CE1 4.4Å; W340-Y357 HydrophobicContact CB-CE2 4.13Å; W340-Y357 HydrophobicContact CB-CG 3.68Å; W340-Y357 HydrophobicContact CG-CD2 4.05Å; W340-Y357 HydrophobicContact CG-CG 4.13Å; V344-Y357 HydrophobicContact CG1-CD1 4.34Å; F353-Y357 WeakPolarHBondContact O-CB 3.4Å; F353-Y357 PolarHBondContact O-N 3.41Å; W354-Y357 PolarHBondContact O-N 2.85Å; L355-Y357 VanDerWaalsContact C-N 3.34Å; Y357-Y359 VanDerWaalsContact C-N 3.34Å; Y357-Y359 PolarHBondContact O-N 3.09Å; Y357-M360 HydrophobicContact CD2-CE 3.76Å; Y357-M360 HydrophobicContact CE2-CE 3.78Å; Y357-M360 PolarHBondContact O-N 3.13Å; Y357-E361 HydrophobicContact CD2-CG 4.18Å; Y357-E361 HydrophobicContact CE2-CG 3.94Å; Y357-E361 PolarHBondContact O-N 3.01Å; Y357-V373 HydrophobicContact CD1-CB 4.32Å; Y357-V373 HydrophobicContact CD1-CG1 3.5Å; Y357-V373 HydrophobicContact CD1-CG2 3.74Å; Y357-V373 HydrophobicContact CE1-CB 4.43Å; Y357-V373 HydrophobicContact CE1-CG1 4.03Å; Y357-V373 HydrophobicContact CE1-CG2 3.45Å; Y357-V373 VanDerWaalsContact CE1-CG2 3.45Å; Y357-V373 HydrophobicContact CE2-CG2 4.25Å; Y357-V373 HydrophobicContact CG-CG1 4.04Å; Y357-V373 HydrophobicContact CG-CG2 4.27Å
358	T	95.5	Very high	94.5	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-41.2	174.9	55.1	0	0	0	0	111.5	W354 L355 M360 E361 E362 V373 F374	W354-T358 WeakPolarHBondContact O-CG2 3.26Å; W354-T358 PolarHBondContact O-N 2.94Å; W354-T358 PolarHBondContact O-OG1 2.88Å; L355-T358 PolarHBondContact O-OG1 3.19Å; T358-M360 PolarHBondContact O-N 3.37Å; T358-E361 PolarHBondContact O-N 3.28Å; T358-E362 WeakPolarHBondContact O-CB 3.34Å; T358-E362 PolarHBondContact O-N 2.73Å; T358-V373 HydrophobicContact CG2-CB 3.93Å; T358-V373 HydrophobicContact CG2-CG1 3.52Å; T358-F374 HydrophobicContact CG2-CD1 3.98Å; T358-F374 HydrophobicContact CG2-CD2 3.78Å; T358-F374 HydrophobicContact CG2-CE1 3.89Å; T358-F374 HydrophobicContact CG2-CE2 3.68Å; T358-F374 HydrophobicContact CG2-CG 3.92Å; T358-F374 HydrophobicContact CG2-CZ 3.74Å
359	Y	95.3	Very high	94.5	Very high	138 Å²	138	55.9 Å²	55.9	54%	0.541	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-42.8	174.3	-178	-99.5	0	0	0	112.2	L355 Y357 E362 M363	L355-Y359 WeakPolarHBondContact O-CB 3.43Å; L355-Y359 PolarHBondContact O-N 3.41Å; Y357-Y359 VanDerWaalsContact C-N 3.34Å; Y357-Y359 PolarHBondContact O-N 3.09Å; Y359-E362 PolarHBondContact O-N 3.19Å; Y359-M363 HydrophobicContact CD1-CG 3.99Å; Y359-M363 HydrophobicContact CD2-CE 4.14Å; Y359-M363 HydrophobicContact CD2-CG 4.41Å; Y359-M363 HydrophobicContact CE1-CG 3.63Å; Y359-M363 HydrophobicContact CE1-SD 4.28Å; Y359-M363 HydrophobicContact CE2-CE 3.49Å; Y359-M363 VanDerWaalsContact CE2-CE 3.49Å; Y359-M363 HydrophobicContact CE2-CG 4.11Å; Y359-M363 HydrophobicContact CE2-SD 4.16Å; Y359-M363 HydrophobicContact CG-CG 4.37Å; Y359-M363 WeakPolarHBondContact O-CB 3.27Å; Y359-M363 WeakPolarHBondContact O-CG 3.41Å; Y359-M363 PolarHBondContact O-N 3.12Å
360	M	94.8	Very high	94.7	Very high	15 Å²	15	47.8 Å²	47.8	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-47.8	176.8	-177.4	-165.3	75.7	0	0	111.5	I328 A336 R337 W340 K356 Y357 T358 E362 M363 L364	I328-M360 HydrophobicContact CD1-CG 4.3Å; I328-M360 HydrophobicContact CD1-SD 3.99Å; I328-M360 HydrophobicContact CG1-SD 4.14Å; A336-M360 HydrophobicContact CB-SD 3.95Å; R337-M360 HydrophobicContact CB-CE 4.46Å; R337-M360 HydrophobicContact CG-CE 3.51Å; W340-M360 VanDerWaalsContact CD1-SD 3.59Å; K356-M360 VanDerWaalsContact O-CB 3.29Å; K356-M360 WeakPolarHBondContact O-CB 3.44Å; K356-M360 PolarHBondContact O-N 3.2Å; Y357-M360 HydrophobicContact CD2-CE 3.76Å; Y357-M360 HydrophobicContact CE2-CE 3.78Å; Y357-M360 PolarHBondContact O-N 3.13Å; T358-M360 PolarHBondContact O-N 3.37Å; M360-E362 VanDerWaalsContact C-N 3.32Å; M360-E362 PolarHBondContact O-N 2.96Å; M360-M363 PolarHBondContact O-N 3Å; M360-L364 HydrophobicContact CE-CD1 4.45Å; M360-L364 HydrophobicContact CG-CD1 4Å; M360-L364 WeakPolarHBondContact O-CD1 3.43Å; M360-L364 WeakPolarHBondContact O-CG 3.46Å; M360-L364 PolarHBondContact O-N 3.37Å
361	E	95.5	Very high	94.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-36.7	178.1	-69	-58.7	148.7	0	0	112.2	R337 Y357 T358 L364 G365 N366 A370	R337-E361 WeakPolarHBondContact CD-OE1 3.41Å; R337-E361 WeakPolarHBondContact CG-OE1 3.5Å; R337-E361 IonicContact CZ-OE1 3.42Å; R337-E361 IonicContact CZ-OE2 3.77Å; R337-E361 IonicContact NE-OE1 2.73Å; R337-E361 PolarHBondContact NE-OE1 3.24Å; R337-E361 IonicContact NE-OE2 3.42Å; R337-E361 IonicContact NH2-OE1 3.65Å; R337-E361 IonicContact NH2-OE2 2.87Å; R337-E361 PolarHBondContact NH2-OE2 3.03Å; R337-E361 VanDerWaalsContact NH2-OE2 3.14Å; Y357-E361 HydrophobicContact CD2-CG 4.18Å; Y357-E361 HydrophobicContact CE2-CG 3.94Å; Y357-E361 PolarHBondContact O-N 3.01Å; T358-E361 PolarHBondContact O-N 3.28Å; E361-L364 PolarHBondContact O-N 3.25Å; E361-G365 PolarHBondContact O-N 2.79Å; E361-N366 PolarHBondContact O-N 3.42Å; E361-N366 VanDerWaalsContact OE2-CB 3.31Å; E361-N366 WeakPolarHBondContact OE2-CB 3.3Å; E361-N366 PolarHBondContact OE2-ND2 3.33Å; E361-A370 HydrophobicContact CB-CB 3.92Å
362	E	94.7	Very high	94.9	Very high	26 Å²	26	51 Å²	51	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-45.8	174.1	-174.6	173.2	-168.4	0	0	111.9	T358 Y359 M360 L364 G365 F393 R396 Y397	T358-E362 WeakPolarHBondContact O-CB 3.34Å; T358-E362 PolarHBondContact O-N 2.73Å; Y359-E362 PolarHBondContact O-N 3.19Å; M360-E362 VanDerWaalsContact C-N 3.32Å; M360-E362 PolarHBondContact O-N 2.96Å; E362-L364 PolarHBondContact O-N 3.06Å; E362-G365 PolarHBondContact O-N 2.71Å; E362-F393 HydrophobicContact CG-CE2 4.42Å; E362-R396 VanDerWaalsContact CD-NH2 3.31Å; E362-R396 IonicContact OE1-CZ 3.65Å; E362-R396 IonicContact OE1-NE 2.93Å; E362-R396 PolarHBondContact OE1-NE 3.4Å; E362-R396 IonicContact OE1-NH2 2.75Å; E362-R396 PolarHBondContact OE1-NH2 2.78Å; E362-R396 VanDerWaalsContact OE1-NH2 3.1Å; E362-R396 IonicContact OE2-CZ 3.6Å; E362-R396 IonicContact OE2-NE 2.75Å; E362-R396 IonicContact OE2-NH2 3.58Å; E362-R396 PolarHBondContact OE2-NH2 2.93Å; E362-Y397 WeakPolarHBondContact CG-OH 3.45Å
363	M	93.4	Very high	95	Very high	117 Å²	117	46.2 Å²	46.2	58%	0.576	24%	0.241	S	C	*	.	H	α-helix	trans	-65.1	-27.4	177.5	-69.8	-68.7	122.2	0	0	113	Y359 M360	Y359-M363 HydrophobicContact CD1-CG 3.99Å; Y359-M363 HydrophobicContact CD2-CE 4.14Å; Y359-M363 HydrophobicContact CD2-CG 4.41Å; Y359-M363 HydrophobicContact CE1-CG 3.63Å; Y359-M363 HydrophobicContact CE1-SD 4.28Å; Y359-M363 HydrophobicContact CE2-CE 3.49Å; Y359-M363 VanDerWaalsContact CE2-CE 3.49Å; Y359-M363 HydrophobicContact CE2-CG 4.11Å; Y359-M363 HydrophobicContact CE2-SD 4.16Å; Y359-M363 HydrophobicContact CG-CG 4.37Å; Y359-M363 WeakPolarHBondContact O-CB 3.27Å; Y359-M363 WeakPolarHBondContact O-CG 3.41Å; Y359-M363 PolarHBondContact O-N 3.12Å; M360-M363 PolarHBondContact O-N 3Å
364	L	93.5	Very high	95.1	Very high	72 Å²	72	46.4 Å²	46.4	38%	0.377	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.4	174	-67	169.5	0	0	0	113	I333 M360 E361 E362 N366	I333-L364 HydrophobicContact CD1-CD2 3.61Å; I333-L364 HydrophobicContact CG1-CD2 4.14Å; I333-L364 HydrophobicContact CG2-CD1 3.43Å; I333-L364 VanDerWaalsContact CG2-CD1 3.43Å; I333-L364 HydrophobicContact CG2-CD2 4.3Å; M360-L364 HydrophobicContact CE-CD1 4.45Å; M360-L364 HydrophobicContact CG-CD1 4Å; M360-L364 WeakPolarHBondContact O-CD1 3.43Å; M360-L364 WeakPolarHBondContact O-CG 3.46Å; M360-L364 PolarHBondContact O-N 3.37Å; E361-L364 PolarHBondContact O-N 3.25Å; E362-L364 PolarHBondContact O-N 3.06Å; L364-N366 PolarHBondContact O-N 2.87Å
365	G	92.9	Very high	95	Very high	54 Å²	54	49.1 Å²	49.1	56%	0.557	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	9.5	-176.2	0	0	0	0	0	114.3	E361 E362 I367	E361-G365 PolarHBondContact O-N 2.79Å; E362-G365 PolarHBondContact O-N 2.71Å; G365-I367 VanDerWaalsContact C-N 3.27Å; G365-I367 PolarHBondContact O-N 2.95Å
366	N	94.5	Very high	95	Very high	59 Å²	59	49.4 Å²	49.4	32%	0.316	25%	0.251	S	S	.	.			trans	-85.2	68	178.2	-173.5	15	0	0	0	110.9	E361 L364 G369 A370	E361-N366 PolarHBondContact O-N 3.42Å; E361-N366 VanDerWaalsContact OE2-CB 3.31Å; E361-N366 WeakPolarHBondContact OE2-CB 3.3Å; E361-N366 PolarHBondContact OE2-ND2 3.33Å; L364-N366 PolarHBondContact O-N 2.87Å; N366-G369 PolarHBondContact O-N 3.12Å; N366-G369 VanDerWaalsContact O-N 3.11Å; N366-G369 PolarHBondContact OD1-N 2.97Å; N366-G369 VanDerWaalsContact OD1-N 3.13Å; N366-A370 PolarHBondContact O-N 3.48Å
367	I	94.1	Very high	95	Very high	46 Å²	46	45.9 Å²	45.9	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-44.1	-178.7	-53.2	167.3	0	0	0	111.8	G365 G369 A370 R371 F393 Y397	G365-I367 VanDerWaalsContact C-N 3.27Å; G365-I367 PolarHBondContact O-N 2.95Å; I367-G369 VanDerWaalsContact C-N 3.34Å; I367-G369 PolarHBondContact O-N 3.42Å; I367-A370 PolarHBondContact O-N 3.12Å; I367-R371 PolarHBondContact O-N 2.81Å; I367-F393 HydrophobicContact CG2-CZ 3.81Å; I367-Y397 HydrophobicContact CD1-CD1 3.85Å; I367-Y397 HydrophobicContact CD1-CE1 3.4Å; I367-Y397 HydrophobicContact CG1-CE1 3.93Å; I367-Y397 HydrophobicContact CG1-CE2 4.48Å; I367-Y397 HydrophobicContact CG2-CD2 4.39Å; I367-Y397 HydrophobicContact CG2-CE2 4.33Å
368	P	95.3	Very high	94.9	Very high	91 Å²	91	45.1 Å²	45.1	59%	0.591	23%	0.233	S	C	*	.	H	α-helix	trans	-62.8	-38.1	175.7	-22.4	35.2	0	0	0	113.1	R371 Q372	P368-R371 PolarHBondContact O-N 3Å; P368-Q372 PolarHBondContact O-N 3.1Å
369	G	94.2	Very high	94.8	Very high	9 Å²	9	51.9 Å²	51.9	9%	0.093	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-45	175.1	0	0	0	0	0	112.4	N366 I367 R371 Q372 V373	N366-G369 PolarHBondContact O-N 3.12Å; N366-G369 VanDerWaalsContact O-N 3.11Å; N366-G369 PolarHBondContact OD1-N 2.97Å; N366-G369 VanDerWaalsContact OD1-N 3.13Å; I367-G369 VanDerWaalsContact C-N 3.34Å; I367-G369 PolarHBondContact O-N 3.42Å; G369-R371 VanDerWaalsContact C-N 3.32Å; G369-R371 PolarHBondContact O-N 2.89Å; G369-Q372 WeakPolarHBondContact O-CB 3.23Å; G369-Q372 PolarHBondContact O-N 3.49Å; G369-Q372 VanDerWaalsContact O-N 3.15Å; G369-V373 WeakPolarHBondContact O-CG2 3.5Å; G369-V373 PolarHBondContact O-N 3.4Å
370	A	95.7	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-43.6	175.2	0	0	0	0	0	111.6	E361 N366 I367 Q372 V373 F374 F393	E361-A370 HydrophobicContact CB-CB 3.92Å; N366-A370 PolarHBondContact O-N 3.48Å; I367-A370 PolarHBondContact O-N 3.12Å; A370-Q372 PolarHBondContact O-N 3.46Å; A370-V373 PolarHBondContact O-N 2.76Å; A370-F374 WeakPolarHBondContact O-CD2 3.43Å; A370-F374 PolarHBondContact O-N 2.74Å; A370-F393 HydrophobicContact CB-CE2 3.84Å; A370-F393 HydrophobicContact CB-CZ 3.9Å
371	R	95.7	Very high	94.4	Very high	37 Å²	37	56.2 Å²	56.2	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-45	173.5	-75.7	-179	178	130.2	1.7	112.5	I367 P368 G369 V373 F374 E375 F393 E394	I367-R371 PolarHBondContact O-N 2.81Å; P368-R371 PolarHBondContact O-N 3Å; G369-R371 VanDerWaalsContact C-N 3.32Å; G369-R371 PolarHBondContact O-N 2.89Å; R371-V373 VanDerWaalsContact C-N 3.27Å; R371-V373 PolarHBondContact O-N 3.32Å; R371-F374 PolarHBondContact O-N 3.45Å; R371-F374 VanDerWaalsContact O-N 3.17Å; R371-E375 WeakPolarHBondContact O-CG 3.3Å; R371-E375 PolarHBondContact O-N 2.9Å; R371-F393 HydrophobicContact CG-CE1 3.48Å; R371-F393 VanDerWaalsContact CG-CE1 3.48Å; R371-F393 HydrophobicContact CG-CZ 3.96Å; R371-E394 WeakPolarHBondContact CD-OE1 3.44Å; R371-E394 WeakPolarHBondContact CG-OE1 3.48Å; R371-E394 IonicContact CZ-OE1 3.59Å; R371-E394 IonicContact CZ-OE2 3.71Å; R371-E394 IonicContact NE-OE1 3.69Å; R371-E394 PolarHBondContact NE-OE1 2.77Å; R371-E394 IonicContact NE-OE2 3.55Å; R371-E394 PolarHBondContact NE-OE2 3.38Å; R371-E394 IonicContact NH2-OE1 2.64Å; R371-E394 IonicContact NH2-OE2 3.81Å; R371-E394 PolarHBondContact NH2-OE2 3.37Å
372	Q	95.7	Very high	94.2	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	29%	0.286	S	S	*	.	H	α-helix	trans	-60.5	-39.1	177.6	-171.8	179.5	23.1	0	0	111.7	P368 G369 A370 R376	P368-Q372 PolarHBondContact O-N 3.1Å; G369-Q372 WeakPolarHBondContact O-CB 3.23Å; G369-Q372 PolarHBondContact O-N 3.49Å; G369-Q372 VanDerWaalsContact O-N 3.15Å; A370-Q372 PolarHBondContact O-N 3.46Å; Q372-R376 WeakPolarHBondContact O-CB 3.46Å; Q372-R376 VanDerWaalsContact O-CG 3.31Å; Q372-R376 WeakPolarHBondContact O-CG 3.27Å; Q372-R376 PolarHBondContact O-N 3.27Å
373	V	96.1	Very high	93.8	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-42.1	175	178.3	0	0	0	0	111.1	W354 Y357 T358 G369 A370 R371 R376 W377	W354-V373 HydrophobicContact CE3-CG1 3.84Å; W354-V373 HydrophobicContact CZ3-CG1 4.14Å; Y357-V373 HydrophobicContact CD1-CB 4.32Å; Y357-V373 HydrophobicContact CD1-CG1 3.5Å; Y357-V373 HydrophobicContact CD1-CG2 3.74Å; Y357-V373 HydrophobicContact CE1-CB 4.43Å; Y357-V373 HydrophobicContact CE1-CG1 4.03Å; Y357-V373 HydrophobicContact CE1-CG2 3.45Å; Y357-V373 VanDerWaalsContact CE1-CG2 3.45Å; Y357-V373 HydrophobicContact CE2-CG2 4.25Å; Y357-V373 HydrophobicContact CG-CG1 4.04Å; Y357-V373 HydrophobicContact CG-CG2 4.27Å; T358-V373 HydrophobicContact CG2-CB 3.93Å; T358-V373 HydrophobicContact CG2-CG1 3.52Å; G369-V373 WeakPolarHBondContact O-CG2 3.5Å; G369-V373 PolarHBondContact O-N 3.4Å; A370-V373 PolarHBondContact O-N 2.76Å; R371-V373 VanDerWaalsContact C-N 3.27Å; R371-V373 PolarHBondContact O-N 3.32Å; V373-R376 PolarHBondContact O-N 2.92Å; V373-W377 WeakPolarHBondContact O-CB 3.44Å; V373-W377 PolarHBondContact O-N 3.25Å
374	F	96.1	Very high	93.6	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-44.5	173.9	-82.7	-66.2	0	0	0	112.3	T358 A370 R371 R376 W377 M378 Y390 F393	T358-F374 HydrophobicContact CG2-CD1 3.98Å; T358-F374 HydrophobicContact CG2-CD2 3.78Å; T358-F374 HydrophobicContact CG2-CE1 3.89Å; T358-F374 HydrophobicContact CG2-CE2 3.68Å; T358-F374 HydrophobicContact CG2-CG 3.92Å; T358-F374 HydrophobicContact CG2-CZ 3.74Å; A370-F374 WeakPolarHBondContact O-CD2 3.43Å; A370-F374 PolarHBondContact O-N 2.74Å; R371-F374 PolarHBondContact O-N 3.45Å; R371-F374 VanDerWaalsContact O-N 3.17Å; F374-R376 PolarHBondContact O-N 3.26Å; F374-W377 AromaticContact CD1-CE3 3.89Å; F374-W377 HydrophobicContact CD1-CE3 3.89Å; F374-W377 HydrophobicContact CD1-CZ3 4.29Å; F374-W377 HydrophobicContact CE1-CE3 4.05Å; F374-W377 AromaticContact CE1-CZ3 4Å; F374-W377 HydrophobicContact CE1-CZ3 4Å; F374-W377 WeakPolarHBondContact O-CA 3.48Å; F374-W377 WeakPolarHBondContact O-CB 3.4Å; F374-W377 PolarHBondContact O-N 3.42Å; F374-M378 HydrophobicContact CD1-CE 4.33Å; F374-M378 WeakPolarHBondContact O-CG 3.19Å; F374-M378 PolarHBondContact O-N 3.03Å; F374-Y390 HydrophobicContact CB-CD1 4.16Å; F374-Y390 HydrophobicContact CB-CD2 3.53Å; F374-Y390 HydrophobicContact CB-CE1 4.18Å; F374-Y390 HydrophobicContact CB-CE2 3.6Å; F374-Y390 HydrophobicContact CB-CG 3.84Å; F374-Y390 AromaticContact CD1-CD2 3.86Å; F374-Y390 HydrophobicContact CD1-CD2 3.86Å; F374-Y390 AromaticContact CD1-CG 3.85Å; F374-Y390 HydrophobicContact CD1-CG 3.85Å; F374-Y390 AromaticContact CD2-CD2 3.76Å; F374-Y390 HydrophobicContact CD2-CD2 3.76Å; F374-Y390 HydrophobicContact CD2-CE2 4.14Å; F374-Y390 HydrophobicContact CE1-CD2 4.49Å; F374-Y390 HydrophobicContact CE2-CD2 4.42Å; F374-Y390 AromaticContact CG-CD2 3.45Å; F374-Y390 HydrophobicContact CG-CD2 3.45Å; F374-Y390 VanDerWaalsContact CG-CD2 3.45Å; F374-Y390 AromaticContact CG-CE2 3.95Å; F374-Y390 HydrophobicContact CG-CE2 3.95Å; F374-Y390 AromaticContact CG-CG 3.87Å; F374-Y390 HydrophobicContact CG-CG 3.87Å; F374-F393 HydrophobicContact CD2-CD1 4.06Å; F374-F393 HydrophobicContact CD2-CD2 4.49Å; F374-F393 HydrophobicContact CD2-CE1 4.41Å; F374-F393 HydrophobicContact CD2-CG 4.11Å; F374-F393 HydrophobicContact CE2-CB 3.78Å; F374-F393 AromaticContact CE2-CD1 3.97Å; F374-F393 HydrophobicContact CE2-CD1 3.97Å; F374-F393 AromaticContact CE2-CD2 3.73Å; F374-F393 HydrophobicContact CE2-CD2 3.73Å; F374-F393 HydrophobicContact CE2-CE2 4.29Å; F374-F393 AromaticContact CE2-CG 3.54Å; F374-F393 HydrophobicContact CE2-CG 3.54Å; F374-F393 HydrophobicContact CZ-CB 4.01Å; F374-F393 HydrophobicContact CZ-CG 4.27Å
375	E	95.3	Very high	93.5	Very high	61 Å²	61	57.1 Å²	57.1	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-47.3	177.7	-73.6	-59	156.8	0	0	111.7	R371 W377 M378 E379 Y390 R409	R371-E375 WeakPolarHBondContact O-CG 3.3Å; R371-E375 PolarHBondContact O-N 2.9Å; E375-W377 PolarHBondContact O-N 3.37Å; E375-M378 PolarHBondContact O-N 3.29Å; E375-M378 VanDerWaalsContact O-N 3.14Å; E375-E379 PolarHBondContact O-N 3.22Å; E375-E379 VanDerWaalsContact O-N 3.13Å; E375-Y390 WeakPolarHBondContact OE1-CE1 3.28Å; E375-Y390 PolarHBondContact OE1-OH 3.49Å; E375-R409 VanDerWaalsContact CD-NH1 3.28Å; E375-R409 IonicContact OE1-NH1 2.73Å; E375-R409 PolarHBondContact OE1-NH1 3.05Å; E375-R409 IonicContact OE2-CZ 3.76Å; E375-R409 VanDerWaalsContact OE2-CZ 3.26Å; E375-R409 IonicContact OE2-NH1 3.53Å; E375-R409 PolarHBondContact OE2-NH1 3.28Å; E375-R409 IonicContact OE2-NH2 2.79Å; E375-R409 PolarHBondContact OE2-NH2 3.04Å
376	R	95.1	Very high	93.5	Very high	68 Å²	68	54.6 Å²	54.6	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-33.9	172.1	-74.1	171.6	63.6	-171.3	1.1	112.5	D341 W354 Q372 V373 F374	D341-R376 IonicContact OD1-CZ 2.74Å; D341-R376 VanDerWaalsContact OD1-CZ 3.27Å; D341-R376 IonicContact OD1-NH1 3.71Å; D341-R376 PolarHBondContact OD1-NH1 3.31Å; D341-R376 IonicContact OD1-NH2 3.79Å; D341-R376 PolarHBondContact OD1-NH2 3.07Å; W354-R376 HydrophobicContact CH2-CB 4.15Å; W354-R376 HydrophobicContact CZ3-CB 4Å; Q372-R376 WeakPolarHBondContact O-CB 3.46Å; Q372-R376 VanDerWaalsContact O-CG 3.31Å; Q372-R376 WeakPolarHBondContact O-CG 3.27Å; Q372-R376 PolarHBondContact O-N 3.27Å; V373-R376 PolarHBondContact O-N 2.92Å; F374-R376 PolarHBondContact O-N 3.26Å
377	W	95.7	Very high	93.5	Very high	4 Å²	4	52 Å²	52	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-70.6	-41.9	177.6	-169.2	15.9	0	0	0	111.4	I351 W354 L355 V373 F374 E375 E379 W380 P382 A386	I351-W377 HydrophobicContact CB-CZ2 4.31Å; I351-W377 HydrophobicContact CG1-CZ2 4.25Å; I351-W377 HydrophobicContact CG2-CH2 4.09Å; I351-W377 HydrophobicContact CG2-CZ2 3.77Å; W354-W377 HydrophobicContact CB-CD2 3.49Å; W354-W377 VanDerWaalsContact CB-CD2 3.49Å; W354-W377 HydrophobicContact CB-CE3 3.8Å; W354-W377 HydrophobicContact CB-CG 3.91Å; W354-W377 HydrophobicContact CB-CH2 4.2Å; W354-W377 HydrophobicContact CB-CZ2 3.92Å; W354-W377 HydrophobicContact CB-CZ3 4.14Å; W354-W377 AromaticContact CD1-CD1 3.57Å; W354-W377 AromaticContact CD1-CE2 3.85Å; W354-W377 AromaticContact CD1-NE1 3.37Å; W354-W377 HydrophobicContact CD2-CB 3.79Å; W354-W377 AromaticContact CD2-CD1 3.49Å; W354-W377 VanDerWaalsContact CD2-CD1 3.49Å; W354-W377 HydrophobicContact CD2-CD2 4.12Å; W354-W377 AromaticContact CD2-CG 3.52Å; W354-W377 HydrophobicContact CD2-CG 3.52Å; W354-W377 AromaticContact CE2-CD1 3.55Å; W354-W377 HydrophobicContact CE3-CB 3.49Å; W354-W377 VanDerWaalsContact CE3-CB 3.49Å; W354-W377 HydrophobicContact CE3-CD2 4.49Å; W354-W377 AromaticContact CE3-CG 3.77Å; W354-W377 HydrophobicContact CE3-CG 3.77Å; W354-W377 HydrophobicContact CG-CB 4.34Å; W354-W377 AromaticContact CG-CD1 3.49Å; W354-W377 VanDerWaalsContact CG-CD1 3.49Å; W354-W377 AromaticContact CG-CD2 3.71Å; W354-W377 HydrophobicContact CG-CD2 3.71Å; W354-W377 AromaticContact CG-CE2 3.67Å; W354-W377 HydrophobicContact CG-CE3 4.47Å; W354-W377 AromaticContact CG-CG 3.61Å; W354-W377 HydrophobicContact CG-CG 3.61Å; W354-W377 HydrophobicContact CG-CZ2 4.4Å; W354-W377 AromaticContact CG-NE1 3.52Å; W354-W377 HydrophobicContact CH2-CB 4.33Å; W354-W377 HydrophobicContact CZ3-CB 3.79Å; W354-W377 HydrophobicContact CZ3-CG 4.42Å; W354-W377 AromaticContact NE1-CD1 3.59Å; W354-W377 AromaticContact NE1-NE1 3.75Å; L355-W377 HydrophobicContact CD2-CH2 3.67Å; L355-W377 HydrophobicContact CD2-CZ3 3.88Å; L355-W377 HydrophobicContact CG-CH2 3.95Å; L355-W377 HydrophobicContact CG-CZ3 4.46Å; V373-W377 WeakPolarHBondContact O-CB 3.44Å; V373-W377 PolarHBondContact O-N 3.25Å; F374-W377 AromaticContact CD1-CE3 3.89Å; F374-W377 HydrophobicContact CD1-CE3 3.89Å; F374-W377 HydrophobicContact CD1-CZ3 4.29Å; F374-W377 HydrophobicContact CE1-CE3 4.05Å; F374-W377 AromaticContact CE1-CZ3 4Å; F374-W377 HydrophobicContact CE1-CZ3 4Å; F374-W377 WeakPolarHBondContact O-CA 3.48Å; F374-W377 WeakPolarHBondContact O-CB 3.4Å; F374-W377 PolarHBondContact O-N 3.42Å; E375-W377 PolarHBondContact O-N 3.37Å; W377-E379 VanDerWaalsContact C-N 3.27Å; W377-E379 PolarHBondContact O-N 3.45Å; W377-W380 WeakPolarHBondContact O-CB 3.24Å; W377-W380 PolarHBondContact O-N 2.79Å; W377-W380 VanDerWaalsContact O-N 3.14Å; W377-P382 HydrophobicContact CD2-CG 4.47Å; W377-P382 HydrophobicContact CG-CG 4.35Å; W377-P382 HydrophobicContact CZ2-CB 4.48Å; W377-P382 WeakPolarHBondContact O-CD 3.48Å; W377-A386 HydrophobicContact CD2-CB 4.13Å; W377-A386 HydrophobicContact CE3-CB 4.21Å; W377-A386 HydrophobicContact CH2-CB 3.36Å; W377-A386 HydrophobicContact CZ2-CB 3.24Å; W377-A386 HydrophobicContact CZ3-CB 3.86Å
378	M	93.9	Very high	93.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-24.3	179.7	-63.2	-49.2	122.7	0	0	113	F374 E375 W380 E381 P382 A386 W387 Y390	F374-M378 HydrophobicContact CD1-CE 4.33Å; F374-M378 WeakPolarHBondContact O-CG 3.19Å; F374-M378 PolarHBondContact O-N 3.03Å; E375-M378 PolarHBondContact O-N 3.29Å; E375-M378 VanDerWaalsContact O-N 3.14Å; M378-W380 PolarHBondContact O-N 2.8Å; M378-E381 PolarHBondContact O-N 3.24Å; M378-E381 VanDerWaalsContact O-N 3.09Å; M378-P382 HydrophobicContact CE-CG 4.05Å; M378-P382 HydrophobicContact SD-CG 3.95Å; M378-A386 HydrophobicContact CE-CB 4.11Å; M378-W387 HydrophobicContact CB-CH2 3.87Å; M378-W387 HydrophobicContact CB-CZ2 4.21Å; M378-W387 HydrophobicContact CB-CZ3 4.21Å; M378-W387 HydrophobicContact CG-CE3 4.17Å; M378-W387 HydrophobicContact CG-CH2 4.05Å; M378-W387 HydrophobicContact CG-CZ2 4.43Å; M378-W387 HydrophobicContact CG-CZ3 3.91Å; M378-W387 HydrophobicContact SD-CD2 3.42Å; M378-W387 HydrophobicContact SD-CE3 3.53Å; M378-W387 VanDerWaalsContact SD-CE3 3.53Å; M378-W387 HydrophobicContact SD-CG 3.97Å; M378-W387 HydrophobicContact SD-CH2 4.05Å; M378-W387 HydrophobicContact SD-CZ2 3.95Å; M378-W387 HydrophobicContact SD-CZ3 3.85Å; M378-Y390 HydrophobicContact CE-CD1 4.4Å; M378-Y390 HydrophobicContact CG-CD1 3.86Å; M378-Y390 HydrophobicContact CG-CE1 4.27Å; M378-Y390 HydrophobicContact SD-CD1 4.43Å
379	E	93.1	Very high	93.4	Very high	146 Å²	146	47.5 Å²	47.5	68%	0.682	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.4	170.5	-71.1	171.2	-177.5	0	0	113.1	E375 W377 E381	E375-E379 PolarHBondContact O-N 3.22Å; E375-E379 VanDerWaalsContact O-N 3.13Å; W377-E379 VanDerWaalsContact C-N 3.27Å; W377-E379 PolarHBondContact O-N 3.45Å; E379-E381 VanDerWaalsContact C-N 3.3Å
380	W	92.3	Very high	93.4	Very high	116 Å²	116	47.5 Å²	47.5	44%	0.439	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.5	178.3	-72.8	96.9	0	0	0	114.4	P348 R349 W354 W377 M378	P348-W380 HydrophobicContact CB-CD2 3.7Å; P348-W380 VanDerWaalsContact CB-CE2 3.46Å; P348-W380 HydrophobicContact CB-CE3 4.17Å; P348-W380 HydrophobicContact CB-CG 4.15Å; P348-W380 HydrophobicContact CB-CH2 4.2Å; P348-W380 HydrophobicContact CB-CZ2 3.74Å; P348-W380 HydrophobicContact CB-CZ3 4.4Å; P348-W380 HydrophobicContact CG-CD2 4.22Å; P348-W380 HydrophobicContact CG-CE3 4.22Å; P348-W380 HydrophobicContact CG-CH2 3.77Å; P348-W380 HydrophobicContact CG-CZ2 3.76Å; P348-W380 HydrophobicContact CG-CZ3 4.01Å; R349-W380 PolarHBondContact NH1-O 3.17Å; W354-W380 AromaticContact CZ2-CD1 3.84Å; W377-W380 WeakPolarHBondContact O-CB 3.24Å; W377-W380 PolarHBondContact O-N 2.79Å; W377-W380 VanDerWaalsContact O-N 3.14Å; M378-W380 PolarHBondContact O-N 2.8Å
381	E	90	Very high	93.4	Very high	128 Å²	128	47.7 Å²	47.7	60%	0.598	23%	0.231	S	C	*	.			trans	47.4	65.4	-174.1	-61.8	178.6	163.7	0	0	111.1	M378 E379 T413	M378-E381 PolarHBondContact O-N 3.24Å; M378-E381 VanDerWaalsContact O-N 3.09Å; E379-E381 VanDerWaalsContact C-N 3.3Å; E381-T413 HydrophobicContact CB-CG2 3.87Å; E381-T413 HydrophobicContact CG-CG2 3.83Å
382	P	90	Very high	93.3	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.058	25%	0.247	C	C	.	.			trans	-71.9	163.6	178.6	32.7	-35.4	0	0	0	110.4	W377 M378 A386 W387	W377-P382 HydrophobicContact CD2-CG 4.47Å; W377-P382 HydrophobicContact CG-CG 4.35Å; W377-P382 HydrophobicContact CZ2-CB 4.48Å; W377-P382 WeakPolarHBondContact O-CD 3.48Å; M378-P382 HydrophobicContact CE-CG 4.05Å; M378-P382 HydrophobicContact SD-CG 3.95Å; P382-A386 HydrophobicContact CB-CB 3.47Å; P382-A386 VanDerWaalsContact CB-CB 3.47Å; P382-A386 HydrophobicContact CG-CB 3.37Å; P382-W387 VanDerWaalsContact O-CD1 3.26Å; P382-W387 PolarHBondContact O-NE1 3.25Å
383	G	87.4	Confident	93.3	Very high	46 Å²	46	44 Å²	44	47%	0.474	22%	0.218	S	C	.	.			trans	-63.9	166.9	178.8	0	0	0	0	0	113.7	Q385 A386	G383-Q385 PolarHBondContact O-N 3.48Å; G383-A386 WeakPolarHBondContact O-CB 3.3Å; G383-A386 PolarHBondContact O-N 3.09Å
384	E	88.7	Confident	93.3	Very high	60 Å²	60	43.9 Å²	43.9	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-37.8	-40.7	-178.3	174.6	-173.3	152.6	0	0	115.9	A386 W387 S388 F410 R422	E384-A386 VanDerWaalsContact C-N 3.28Å; E384-A386 PolarHBondContact O-N 3.44Å; E384-W387 PolarHBondContact O-N 3.17Å; E384-S388 WeakPolarHBondContact O-CB 3.46Å; E384-S388 PolarHBondContact O-N 3.47Å; E384-S388 PolarHBondContact O-OG 3.45Å; E384-F410 HydrophobicContact CB-CE2 4.48Å; E384-F410 HydrophobicContact CB-CZ 4.04Å; E384-F410 HydrophobicContact CG-CZ 3.88Å; E384-R422 IonicContact OE1-CZ 3.56Å; E384-R422 IonicContact OE1-NH1 2.75Å; E384-R422 PolarHBondContact OE1-NH1 3.03Å; E384-R422 IonicContact OE1-NH2 2.95Å; E384-R422 PolarHBondContact OE1-NH2 3.09Å
385	Q	91.2	Very high	93.2	Very high	123 Å²	123	46 Å²	46	58%	0.575	23%	0.227	S	C	*	.	H	α-helix	trans	-62.4	-35.7	-178.1	-174.8	60.3	26.3	0	0	112.6	G383 S388 T389	G383-Q385 PolarHBondContact O-N 3.48Å; Q385-S388 PolarHBondContact O-N 2.77Å; Q385-T389 WeakPolarHBondContact O-CG2 3.31Å; Q385-T389 PolarHBondContact O-N 3.1Å; Q385-T389 PolarHBondContact O-OG1 3.47Å
386	A	93.4	Very high	93.1	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-42.2	-179.5	0	0	0	0	0	112	W377 M378 P382 G383 E384 S388 T389 Y390	W377-A386 HydrophobicContact CD2-CB 4.13Å; W377-A386 HydrophobicContact CE3-CB 4.21Å; W377-A386 HydrophobicContact CH2-CB 3.36Å; W377-A386 HydrophobicContact CZ2-CB 3.24Å; W377-A386 HydrophobicContact CZ3-CB 3.86Å; M378-A386 HydrophobicContact CE-CB 4.11Å; P382-A386 HydrophobicContact CB-CB 3.47Å; P382-A386 VanDerWaalsContact CB-CB 3.47Å; P382-A386 HydrophobicContact CG-CB 3.37Å; G383-A386 WeakPolarHBondContact O-CB 3.3Å; G383-A386 PolarHBondContact O-N 3.09Å; E384-A386 VanDerWaalsContact C-N 3.28Å; E384-A386 PolarHBondContact O-N 3.44Å; A386-S388 VanDerWaalsContact C-N 3.33Å; A386-T389 PolarHBondContact O-N 3.12Å; A386-T389 PolarHBondContact O-OG1 3.08Å; A386-Y390 PolarHBondContact O-N 3.31Å; A386-Y390 VanDerWaalsContact O-N 3.07Å
387	W	93.9	Very high	93	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.011	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-43.8	173	-67.9	97.8	0	0	0	111.1	M378 P382 E384 T389 Y390 I391 V406 R409 F410 T413	M378-W387 HydrophobicContact CB-CH2 3.87Å; M378-W387 HydrophobicContact CB-CZ2 4.21Å; M378-W387 HydrophobicContact CB-CZ3 4.21Å; M378-W387 HydrophobicContact CG-CE3 4.17Å; M378-W387 HydrophobicContact CG-CH2 4.05Å; M378-W387 HydrophobicContact CG-CZ2 4.43Å; M378-W387 HydrophobicContact CG-CZ3 3.91Å; M378-W387 HydrophobicContact SD-CD2 3.42Å; M378-W387 HydrophobicContact SD-CE3 3.53Å; M378-W387 VanDerWaalsContact SD-CE3 3.53Å; M378-W387 HydrophobicContact SD-CG 3.97Å; M378-W387 HydrophobicContact SD-CH2 4.05Å; M378-W387 HydrophobicContact SD-CZ2 3.95Å; M378-W387 HydrophobicContact SD-CZ3 3.85Å; P382-W387 VanDerWaalsContact O-CD1 3.26Å; P382-W387 PolarHBondContact O-NE1 3.25Å; E384-W387 PolarHBondContact O-N 3.17Å; W387-T389 VanDerWaalsContact C-N 3.34Å; W387-T389 PolarHBondContact O-N 3.5Å; W387-Y390 PolarHBondContact O-N 3.38Å; W387-I391 WeakPolarHBondContact O-CD1 3.44Å; W387-I391 VanDerWaalsContact O-CG1 3.3Å; W387-I391 WeakPolarHBondContact O-CG1 3.49Å; W387-I391 PolarHBondContact O-N 3.36Å; W387-V406 HydrophobicContact CE3-CG1 3.82Å; W387-V406 HydrophobicContact CZ3-CG1 4.18Å; W387-R409 HydrophobicContact CH2-CB 4Å; W387-R409 HydrophobicContact CZ3-CB 3.8Å; W387-F410 HydrophobicContact CB-CB 4.32Å; W387-F410 HydrophobicContact CB-CD1 4.18Å; W387-F410 HydrophobicContact CB-CD2 3.39Å; W387-F410 HydrophobicContact CB-CE1 4.39Å; W387-F410 HydrophobicContact CB-CE2 3.6Å; W387-F410 HydrophobicContact CB-CG 3.7Å; W387-F410 HydrophobicContact CB-CZ 4.14Å; W387-F410 AromaticContact CD1-CD2 3.32Å; W387-F410 AromaticContact CD1-CE2 3.41Å; W387-F410 VanDerWaalsContact CD1-CE2 3.41Å; W387-F410 HydrophobicContact CD2-CB 3.92Å; W387-F410 AromaticContact CD2-CD2 3.5Å; W387-F410 HydrophobicContact CD2-CD2 3.5Å; W387-F410 HydrophobicContact CD2-CE2 4.35Å; W387-F410 HydrophobicContact CD2-CG 4Å; W387-F410 AromaticContact CE2-CD2 3.93Å; W387-F410 HydrophobicContact CE3-CB 3.7Å; W387-F410 HydrophobicContact CE3-CD2 4.2Å; W387-F410 HydrophobicContact CE3-CG 4.26Å; W387-F410 HydrophobicContact CG-CB 4.21Å; W387-F410 AromaticContact CG-CD2 3.09Å; W387-F410 HydrophobicContact CG-CD2 3.09Å; W387-F410 AromaticContact CG-CE2 3.52Å; W387-F410 HydrophobicContact CG-CE2 3.52Å; W387-F410 AromaticContact CG-CG 3.78Å; W387-F410 HydrophobicContact CG-CG 3.78Å; W387-F410 HydrophobicContact CG-CZ 4.49Å; W387-F410 HydrophobicContact CZ3-CB 4.29Å; W387-F410 AromaticContact NE1-CD2 3.8Å; W387-T413 HydrophobicContact CZ2-CG2 4.29Å
388	S	93	Very high	92.7	Very high	19 Å²	19	56.6 Å²	56.6	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-40.1	176.9	-60.4	0	0	0	0	112.3	E384 Q385 A386 N392	E384-S388 WeakPolarHBondContact O-CB 3.46Å; E384-S388 PolarHBondContact O-N 3.47Å; E384-S388 PolarHBondContact O-OG 3.45Å; Q385-S388 PolarHBondContact O-N 2.77Å; A386-S388 VanDerWaalsContact C-N 3.33Å; S388-N392 VanDerWaalsContact O-CB 3.32Å; S388-N392 WeakPolarHBondContact O-CB 3.29Å; S388-N392 PolarHBondContact O-N 3.18Å; S388-N392 PolarHBondContact O-ND2 3.32Å; S388-N392 VanDerWaalsContact O-ND2 3.16Å
389	T	94.4	Very high	92.7	Very high	25 Å²	25	60 Å²	60	15%	0.153	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-34.9	176.4	54.2	0	0	0	0	112.5	L355 Q385 A386 W387 N392 F393	L355-T389 HydrophobicContact CD2-CG2 4.01Å; Q385-T389 WeakPolarHBondContact O-CG2 3.31Å; Q385-T389 PolarHBondContact O-N 3.1Å; Q385-T389 PolarHBondContact O-OG1 3.47Å; A386-T389 PolarHBondContact O-N 3.12Å; A386-T389 PolarHBondContact O-OG1 3.08Å; W387-T389 VanDerWaalsContact C-N 3.34Å; W387-T389 PolarHBondContact O-N 3.5Å; T389-N392 PolarHBondContact O-N 3.46Å; T389-F393 WeakPolarHBondContact O-CB 3.41Å; T389-F393 PolarHBondContact O-N 3.37Å
390	Y	95.5	Very high	92.7	Very high	8 Å²	8	54.3 Å²	54.3	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-44	174.8	-172.5	-158.3	0	0	0	112.2	F374 E375 M378 A386 W387 N392 F393 E394 V406	F374-Y390 HydrophobicContact CB-CD1 4.16Å; F374-Y390 HydrophobicContact CB-CD2 3.53Å; F374-Y390 HydrophobicContact CB-CE1 4.18Å; F374-Y390 HydrophobicContact CB-CE2 3.6Å; F374-Y390 HydrophobicContact CB-CG 3.84Å; F374-Y390 AromaticContact CD1-CD2 3.86Å; F374-Y390 HydrophobicContact CD1-CD2 3.86Å; F374-Y390 AromaticContact CD1-CG 3.85Å; F374-Y390 HydrophobicContact CD1-CG 3.85Å; F374-Y390 AromaticContact CD2-CD2 3.76Å; F374-Y390 HydrophobicContact CD2-CD2 3.76Å; F374-Y390 HydrophobicContact CD2-CE2 4.14Å; F374-Y390 HydrophobicContact CE1-CD2 4.49Å; F374-Y390 HydrophobicContact CE2-CD2 4.42Å; F374-Y390 AromaticContact CG-CD2 3.45Å; F374-Y390 HydrophobicContact CG-CD2 3.45Å; F374-Y390 VanDerWaalsContact CG-CD2 3.45Å; F374-Y390 AromaticContact CG-CE2 3.95Å; F374-Y390 HydrophobicContact CG-CE2 3.95Å; F374-Y390 AromaticContact CG-CG 3.87Å; F374-Y390 HydrophobicContact CG-CG 3.87Å; E375-Y390 WeakPolarHBondContact OE1-CE1 3.28Å; E375-Y390 PolarHBondContact OE1-OH 3.49Å; M378-Y390 HydrophobicContact CE-CD1 4.4Å; M378-Y390 HydrophobicContact CG-CD1 3.86Å; M378-Y390 HydrophobicContact CG-CE1 4.27Å; M378-Y390 HydrophobicContact SD-CD1 4.43Å; A386-Y390 PolarHBondContact O-N 3.31Å; A386-Y390 VanDerWaalsContact O-N 3.07Å; W387-Y390 PolarHBondContact O-N 3.38Å; Y390-N392 VanDerWaalsContact C-N 3.31Å; Y390-N392 PolarHBondContact O-N 3.21Å; Y390-F393 HydrophobicContact CD2-CD1 4.05Å; Y390-F393 HydrophobicContact CE2-CD1 4.11Å; Y390-F393 WeakPolarHBondContact O-CB 3.45Å; Y390-F393 PolarHBondContact O-N 3.11Å; Y390-F393 VanDerWaalsContact O-N 3.09Å; Y390-E394 HydrophobicContact CD2-CG 4.39Å; Y390-E394 HydrophobicContact CE2-CG 4.03Å; Y390-E394 PolarHBondContact O-N 3.41Å; Y390-V406 HydrophobicContact CD1-CB 4.33Å; Y390-V406 HydrophobicContact CD1-CG1 3.59Å; Y390-V406 HydrophobicContact CD1-CG2 3.67Å; Y390-V406 HydrophobicContact CE1-CB 4.48Å; Y390-V406 HydrophobicContact CE1-CG1 4.16Å; Y390-V406 HydrophobicContact CE1-CG2 3.41Å; Y390-V406 VanDerWaalsContact CE1-CG2 3.41Å; Y390-V406 HydrophobicContact CG-CG1 4.22Å; Y390-V406 HydrophobicContact CG-CG2 4.37Å
391	I	94.4	Very high	92.7	Very high	5 Å²	5	54 Å²	54	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-46.6	173.3	-69.3	157.9	0	0	0	110.1	W387 F393 E394 M395 V406 W407 F410	W387-I391 WeakPolarHBondContact O-CD1 3.44Å; W387-I391 VanDerWaalsContact O-CG1 3.3Å; W387-I391 WeakPolarHBondContact O-CG1 3.49Å; W387-I391 PolarHBondContact O-N 3.36Å; I391-F393 VanDerWaalsContact C-N 3.26Å; I391-F393 PolarHBondContact O-N 3.3Å; I391-E394 PolarHBondContact O-N 3.47Å; I391-M395 HydrophobicContact CG2-CG 4.43Å; I391-M395 WeakPolarHBondContact O-CB 3.37Å; I391-M395 VanDerWaalsContact O-CG 3.27Å; I391-M395 WeakPolarHBondContact O-CG 3.25Å; I391-M395 PolarHBondContact O-N 3.02Å; I391-V406 HydrophobicContact CD1-CG1 4.28Å; I391-V406 HydrophobicContact CG1-CB 4.09Å; I391-V406 HydrophobicContact CG1-CG1 3.61Å; I391-W407 HydrophobicContact CD1-CD2 3.63Å; I391-W407 VanDerWaalsContact CD1-CE2 3.5Å; I391-W407 HydrophobicContact CD1-CE3 4.12Å; I391-W407 HydrophobicContact CD1-CG 3.98Å; I391-W407 HydrophobicContact CD1-CH2 4.24Å; I391-W407 HydrophobicContact CD1-CZ2 3.82Å; I391-W407 HydrophobicContact CD1-CZ3 4.41Å; I391-W407 HydrophobicContact CG1-CG 4.49Å; I391-W407 HydrophobicContact CG2-CZ2 4.43Å; I391-F410 HydrophobicContact CD1-CD1 4.48Å
392	N	94.9	Very high	92.9	Very high	89 Å²	89	53 Å²	53	48%	0.476	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-32.1	177.4	-72.4	-23.9	0	0	0	112.4	S388 T389 Y390 R396	S388-N392 VanDerWaalsContact O-CB 3.32Å; S388-N392 WeakPolarHBondContact O-CB 3.29Å; S388-N392 PolarHBondContact O-N 3.18Å; S388-N392 PolarHBondContact O-ND2 3.32Å; S388-N392 VanDerWaalsContact O-ND2 3.16Å; T389-N392 PolarHBondContact O-N 3.46Å; Y390-N392 VanDerWaalsContact C-N 3.31Å; Y390-N392 PolarHBondContact O-N 3.21Å; N392-R396 WeakPolarHBondContact O-CG 3.35Å; N392-R396 PolarHBondContact O-N 3.14Å; N392-R396 PolarHBondContact O-NH1 3.06Å
393	F	95.7	Very high	93	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-50.2	173.9	166.1	-90.2	0	0	0	111.3	E362 I367 A370 R371 F374 T389 Y390 I391 M395 R396 Y397	E362-F393 HydrophobicContact CG-CE2 4.42Å; I367-F393 HydrophobicContact CG2-CZ 3.81Å; A370-F393 HydrophobicContact CB-CE2 3.84Å; A370-F393 HydrophobicContact CB-CZ 3.9Å; R371-F393 HydrophobicContact CG-CE1 3.48Å; R371-F393 VanDerWaalsContact CG-CE1 3.48Å; R371-F393 HydrophobicContact CG-CZ 3.96Å; F374-F393 HydrophobicContact CD2-CD1 4.06Å; F374-F393 HydrophobicContact CD2-CD2 4.49Å; F374-F393 HydrophobicContact CD2-CE1 4.41Å; F374-F393 HydrophobicContact CD2-CG 4.11Å; F374-F393 HydrophobicContact CE2-CB 3.78Å; F374-F393 AromaticContact CE2-CD1 3.97Å; F374-F393 HydrophobicContact CE2-CD1 3.97Å; F374-F393 AromaticContact CE2-CD2 3.73Å; F374-F393 HydrophobicContact CE2-CD2 3.73Å; F374-F393 HydrophobicContact CE2-CE2 4.29Å; F374-F393 AromaticContact CE2-CG 3.54Å; F374-F393 HydrophobicContact CE2-CG 3.54Å; F374-F393 HydrophobicContact CZ-CB 4.01Å; F374-F393 HydrophobicContact CZ-CG 4.27Å; T389-F393 WeakPolarHBondContact O-CB 3.41Å; T389-F393 PolarHBondContact O-N 3.37Å; Y390-F393 HydrophobicContact CD2-CD1 4.05Å; Y390-F393 HydrophobicContact CE2-CD1 4.11Å; Y390-F393 WeakPolarHBondContact O-CB 3.45Å; Y390-F393 PolarHBondContact O-N 3.11Å; Y390-F393 VanDerWaalsContact O-N 3.09Å; I391-F393 VanDerWaalsContact C-N 3.26Å; I391-F393 PolarHBondContact O-N 3.3Å; F393-M395 VanDerWaalsContact C-N 3.26Å; F393-M395 PolarHBondContact O-N 3.4Å; F393-R396 WeakPolarHBondContact O-CB 3.49Å; F393-R396 PolarHBondContact O-N 3.43Å; F393-R396 VanDerWaalsContact O-N 3.15Å; F393-Y397 HydrophobicContact CD2-CD2 4.43Å; F393-Y397 AromaticContact CD2-CE2 3.96Å; F393-Y397 HydrophobicContact CD2-CE2 3.96Å; F393-Y397 HydrophobicContact CE2-CD2 4.16Å; F393-Y397 AromaticContact CE2-CE2 3.56Å; F393-Y397 HydrophobicContact CE2-CE2 3.56Å; F393-Y397 HydrophobicContact CZ-CD2 4.23Å; F393-Y397 AromaticContact CZ-CE2 4Å; F393-Y397 HydrophobicContact CZ-CE2 4Å; F393-Y397 WeakPolarHBondContact O-CD2 3.43Å
394	E	95.3	Very high	93.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-34.3	177.1	-66.8	-62.2	170.6	0	0	111.9	R371 Y390 I391 R396 Y397 H398 E399 R402 A403	R371-E394 WeakPolarHBondContact CD-OE1 3.44Å; R371-E394 WeakPolarHBondContact CG-OE1 3.48Å; R371-E394 IonicContact CZ-OE1 3.59Å; R371-E394 IonicContact CZ-OE2 3.71Å; R371-E394 IonicContact NE-OE1 3.69Å; R371-E394 PolarHBondContact NE-OE1 2.77Å; R371-E394 IonicContact NE-OE2 3.55Å; R371-E394 PolarHBondContact NE-OE2 3.38Å; R371-E394 IonicContact NH2-OE1 2.64Å; R371-E394 IonicContact NH2-OE2 3.81Å; R371-E394 PolarHBondContact NH2-OE2 3.37Å; Y390-E394 HydrophobicContact CD2-CG 4.39Å; Y390-E394 HydrophobicContact CE2-CG 4.03Å; Y390-E394 PolarHBondContact O-N 3.41Å; I391-E394 PolarHBondContact O-N 3.47Å; E394-R396 VanDerWaalsContact C-N 3.34Å; E394-R396 PolarHBondContact O-N 3.16Å; E394-Y397 CarbonylContact O-C 3.59Å; E394-Y397 PolarHBondContact O-N 3.09Å; E394-H398 PolarHBondContact O-N 3.24Å; E394-E399 HydrophobicContact CB-CB 4.32Å; E394-E399 PolarHBondContact O-N 2.95Å; E394-E399 WeakPolarHBondContact OE2-CB 3.41Å; E394-R402 HydrophobicContact CB-CB 4.42Å; E394-R402 HydrophobicContact CG-CB 3.99Å; E394-R402 WeakPolarHBondContact OE2-CD 3.41Å; E394-A403 HydrophobicContact CB-CB 4.09Å
395	M	93.2	Very high	93.5	Very high	47 Å²	47	54.4 Å²	54.4	23%	0.232	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-30	175	-72.3	-54	-61.7	0	0	114	I391 F393 Y397 H398 V400 A403 F426	I391-M395 HydrophobicContact CG2-CG 4.43Å; I391-M395 WeakPolarHBondContact O-CB 3.37Å; I391-M395 VanDerWaalsContact O-CG 3.27Å; I391-M395 WeakPolarHBondContact O-CG 3.25Å; I391-M395 PolarHBondContact O-N 3.02Å; F393-M395 VanDerWaalsContact C-N 3.26Å; F393-M395 PolarHBondContact O-N 3.4Å; M395-Y397 PolarHBondContact O-N 3.16Å; M395-H398 PolarHBondContact O-N 2.93Å; M395-V400 HydrophobicContact CE-CG2 4.42Å; M395-V400 HydrophobicContact SD-CG2 4.29Å; M395-A403 HydrophobicContact CG-CB 4.26Å; M395-A403 HydrophobicContact SD-CB 3.98Å; M395-F426 HydrophobicContact CE-CE2 4.12Å; M395-F426 HydrophobicContact CG-CE2 3.96Å; M395-F426 HydrophobicContact SD-CE2 3.46Å; M395-F426 WeakPolarHBondContact SD-CE2 3.41Å; M395-F426 HydrophobicContact SD-CZ 3.76Å
396	R	93.9	Very high	93.6	Very high	120 Å²	120	48.7 Å²	48.7	45%	0.453	23%	0.229	S	C	.	.	H	α-helix	trans	-64.2	-28.8	173.3	-78	-169.5	-61.9	-81.6	14	112.6	E362 N392 F393 E394	E362-R396 VanDerWaalsContact CD-NH2 3.31Å; E362-R396 IonicContact OE1-CZ 3.65Å; E362-R396 IonicContact OE1-NE 2.93Å; E362-R396 PolarHBondContact OE1-NE 3.4Å; E362-R396 IonicContact OE1-NH2 2.75Å; E362-R396 PolarHBondContact OE1-NH2 2.78Å; E362-R396 VanDerWaalsContact OE1-NH2 3.1Å; E362-R396 IonicContact OE2-CZ 3.6Å; E362-R396 IonicContact OE2-NE 2.75Å; E362-R396 IonicContact OE2-NH2 3.58Å; E362-R396 PolarHBondContact OE2-NH2 2.93Å; N392-R396 WeakPolarHBondContact O-CG 3.35Å; N392-R396 PolarHBondContact O-N 3.14Å; N392-R396 PolarHBondContact O-NH1 3.06Å; F393-R396 WeakPolarHBondContact O-CB 3.49Å; F393-R396 PolarHBondContact O-N 3.43Å; F393-R396 VanDerWaalsContact O-N 3.15Å; E394-R396 VanDerWaalsContact C-N 3.34Å; E394-R396 PolarHBondContact O-N 3.16Å
397	Y	92.9	Very high	93.6	Very high	76 Å²	76	49.3 Å²	49.3	30%	0.298	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	11.5	178.5	-64.6	-75.9	0	0	0	113.2	E362 I367 F393 E394 M395 E399	E362-Y397 WeakPolarHBondContact CG-OH 3.45Å; I367-Y397 HydrophobicContact CD1-CD1 3.85Å; I367-Y397 HydrophobicContact CD1-CE1 3.4Å; I367-Y397 HydrophobicContact CG1-CE1 3.93Å; I367-Y397 HydrophobicContact CG1-CE2 4.48Å; I367-Y397 HydrophobicContact CG2-CD2 4.39Å; I367-Y397 HydrophobicContact CG2-CE2 4.33Å; F393-Y397 HydrophobicContact CD2-CD2 4.43Å; F393-Y397 AromaticContact CD2-CE2 3.96Å; F393-Y397 HydrophobicContact CD2-CE2 3.96Å; F393-Y397 HydrophobicContact CE2-CD2 4.16Å; F393-Y397 AromaticContact CE2-CE2 3.56Å; F393-Y397 HydrophobicContact CE2-CE2 3.56Å; F393-Y397 HydrophobicContact CZ-CD2 4.23Å; F393-Y397 AromaticContact CZ-CE2 4Å; F393-Y397 HydrophobicContact CZ-CE2 4Å; F393-Y397 WeakPolarHBondContact O-CD2 3.43Å; E394-Y397 CarbonylContact O-C 3.59Å; E394-Y397 PolarHBondContact O-N 3.09Å; M395-Y397 PolarHBondContact O-N 3.16Å; Y397-E399 PolarHBondContact O-N 3.03Å
398	H	90.7	Very high	93.5	Very high	160 Å²	160	52.6 Å²	52.6	74%	0.741	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.9	-179.4	-54.6	-70.3	0	0	0	115	E394 M395 V400	E394-H398 PolarHBondContact O-N 3.24Å; M395-H398 PolarHBondContact O-N 2.93Å; H398-V400 VanDerWaalsContact C-N 3.27Å; H398-V400 PolarHBondContact O-N 3.41Å
399	E	93.6	Very high	93.4	Very high	76 Å²	76	55.9 Å²	55.9	36%	0.355	26%	0.255	S	S	.	.			trans	-87.7	67.2	179.3	-69	-85.1	165	0	0	110.3	E394 Y397 D401 R402 A403	E394-E399 HydrophobicContact CB-CB 4.32Å; E394-E399 PolarHBondContact O-N 2.95Å; E394-E399 WeakPolarHBondContact OE2-CB 3.41Å; Y397-E399 PolarHBondContact O-N 3.03Å; E399-D401 VanDerWaalsContact C-N 3.3Å; E399-D401 PolarHBondContact O-N 3.12Å; E399-R402 HydrophobicContact CB-CB 4.16Å; E399-R402 HydrophobicContact CB-CG 4.19Å; E399-R402 PolarHBondContact O-N 3.03Å; E399-R402 WeakPolarHBondContact OE2-CD 3.46Å; E399-R402 IonicContact OE2-CZ 2.78Å; E399-R402 IonicContact OE2-NE 3.72Å; E399-R402 PolarHBondContact OE2-NE 3.1Å; E399-A403 PolarHBondContact O-N 3.09Å
400	V	92.4	Very high	93.3	Very high	28 Å²	28	54.7 Å²	54.7	17%	0.17	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-40.3	-174.3	-177.7	0	0	0	0	111.4	M395 H398 R402 A403 R404 F426 Q430	M395-V400 HydrophobicContact CE-CG2 4.42Å; M395-V400 HydrophobicContact SD-CG2 4.29Å; H398-V400 VanDerWaalsContact C-N 3.27Å; H398-V400 PolarHBondContact O-N 3.41Å; V400-R402 VanDerWaalsContact C-N 3.34Å; V400-R402 PolarHBondContact O-N 3.46Å; V400-A403 WeakPolarHBondContact O-CB 3.12Å; V400-A403 PolarHBondContact O-N 3.3Å; V400-R404 WeakPolarHBondContact O-CG 3.37Å; V400-R404 PolarHBondContact O-N 3.25Å; V400-F426 HydrophobicContact CG1-CE1 4.48Å; V400-F426 HydrophobicContact CG1-CZ 4.13Å; V400-Q430 HydrophobicContact CG1-CG 3.79Å
401	D	92.7	Very high	93	Very high	109 Å²	109	54.5 Å²	54.5	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-65.2	-36.5	179.8	-66.5	-34.9	0	0	0	112.7	E399 R404 L405	E399-D401 VanDerWaalsContact C-N 3.3Å; E399-D401 PolarHBondContact O-N 3.12Å; D401-R404 WeakPolarHBondContact O-CB 3.04Å; D401-R404 PolarHBondContact O-N 2.65Å; D401-R404 IonicContact OD1-CZ 3.64Å; D401-R404 IonicContact OD1-NH1 3.61Å; D401-R404 PolarHBondContact OD1-NH1 2.93Å; D401-L405 WeakPolarHBondContact O-CG 3.38Å; D401-L405 PolarHBondContact O-N 3.48Å; D401-L405 VanDerWaalsContact O-N 3.16Å
402	R	92.9	Very high	92.6	Very high	107 Å²	107	59.5 Å²	59.5	40%	0.404	27%	0.274	S	S	.	.	H	α-helix	trans	-67.9	-44.9	172.6	-63.4	-177	-173.3	-125.9	-6.1	110.7	E394 E399 V400 R404 L405 V406	E394-R402 HydrophobicContact CB-CB 4.42Å; E394-R402 HydrophobicContact CG-CB 3.99Å; E394-R402 WeakPolarHBondContact OE2-CD 3.41Å; E399-R402 HydrophobicContact CB-CB 4.16Å; E399-R402 HydrophobicContact CB-CG 4.19Å; E399-R402 PolarHBondContact O-N 3.03Å; E399-R402 WeakPolarHBondContact OE2-CD 3.46Å; E399-R402 IonicContact OE2-CZ 2.78Å; E399-R402 IonicContact OE2-NE 3.72Å; E399-R402 PolarHBondContact OE2-NE 3.1Å; V400-R402 VanDerWaalsContact C-N 3.34Å; V400-R402 PolarHBondContact O-N 3.46Å; R402-R404 PolarHBondContact O-N 3.15Å; R402-L405 WeakPolarHBondContact O-CB 3.43Å; R402-L405 PolarHBondContact O-N 3.3Å; R402-V406 WeakPolarHBondContact O-CG2 3.5Å; R402-V406 PolarHBondContact O-N 3.14Å
403	A	93.9	Very high	92.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-37.2	176	0	0	0	0	0	111.9	E394 M395 E399 V400 V406 W407 F426	E394-A403 HydrophobicContact CB-CB 4.09Å; M395-A403 HydrophobicContact CG-CB 4.26Å; M395-A403 HydrophobicContact SD-CB 3.98Å; E399-A403 PolarHBondContact O-N 3.09Å; V400-A403 WeakPolarHBondContact O-CB 3.12Å; V400-A403 PolarHBondContact O-N 3.3Å; A403-V406 PolarHBondContact O-N 2.85Å; A403-W407 VanDerWaalsContact O-CD1 3.25Å; A403-W407 PolarHBondContact O-N 3.42Å; A403-F426 HydrophobicContact CB-CE2 4.4Å; A403-F426 HydrophobicContact CB-CZ 3.83Å
404	R	92.9	Very high	91.1	Very high	43 Å²	43	59.3 Å²	59.3	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-46.8	172.4	-70.7	179	177.3	132.9	-1.2	112.8	V400 D401 R402 V406 W407 Q408 F426 E427 S432	V400-R404 WeakPolarHBondContact O-CG 3.37Å; V400-R404 PolarHBondContact O-N 3.25Å; D401-R404 WeakPolarHBondContact O-CB 3.04Å; D401-R404 PolarHBondContact O-N 2.65Å; D401-R404 IonicContact OD1-CZ 3.64Å; D401-R404 IonicContact OD1-NH1 3.61Å; D401-R404 PolarHBondContact OD1-NH1 2.93Å; R402-R404 PolarHBondContact O-N 3.15Å; R404-V406 VanDerWaalsContact C-N 3.27Å; R404-V406 PolarHBondContact O-N 3.08Å; R404-W407 WeakPolarHBondContact O-CB 3.47Å; R404-W407 PolarHBondContact O-N 2.91Å; R404-Q408 WeakPolarHBondContact O-CG 3.44Å; R404-Q408 PolarHBondContact O-N 3.36Å; R404-F426 HydrophobicContact CG-CE1 3.99Å; R404-E427 VanDerWaalsContact CD-OE1 3.29Å; R404-E427 WeakPolarHBondContact CD-OE1 3.27Å; R404-E427 WeakPolarHBondContact CG-OE1 3.5Å; R404-E427 IonicContact CZ-OE2 3.69Å; R404-E427 IonicContact NE-OE1 3.43Å; R404-E427 PolarHBondContact NE-OE1 2.83Å; R404-E427 IonicContact NE-OE2 3.77Å; R404-E427 PolarHBondContact NE-OE2 3.03Å; R404-E427 IonicContact NH2-OE2 3.91Å; R404-E427 PolarHBondContact NH2-OE2 2.68Å; R404-S432 PolarHBondContact NH2-OG 3.48Å
405	L	93.1	Very high	90.2	Very high	102 Å²	102	68.2 Å²	68.2	53%	0.534	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-39.5	176.6	-68.3	171.3	0	0	0	111.4	D401 R402 Q408 R409	D401-L405 WeakPolarHBondContact O-CG 3.38Å; D401-L405 PolarHBondContact O-N 3.48Å; D401-L405 VanDerWaalsContact O-N 3.16Å; R402-L405 WeakPolarHBondContact O-CB 3.43Å; R402-L405 PolarHBondContact O-N 3.3Å; L405-Q408 PolarHBondContact O-N 3.2Å; L405-R409 WeakPolarHBondContact O-CG 3.43Å; L405-R409 PolarHBondContact O-N 3.38Å
406	V	93.6	Very high	89.8	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-43.4	174.8	-179	0	0	0	0	111	W387 Y390 I391 R402 A403 R404 Q408 R409 F410	W387-V406 HydrophobicContact CE3-CG1 3.82Å; W387-V406 HydrophobicContact CZ3-CG1 4.18Å; Y390-V406 HydrophobicContact CD1-CB 4.33Å; Y390-V406 HydrophobicContact CD1-CG1 3.59Å; Y390-V406 HydrophobicContact CD1-CG2 3.67Å; Y390-V406 HydrophobicContact CE1-CB 4.48Å; Y390-V406 HydrophobicContact CE1-CG1 4.16Å; Y390-V406 HydrophobicContact CE1-CG2 3.41Å; Y390-V406 VanDerWaalsContact CE1-CG2 3.41Å; Y390-V406 HydrophobicContact CG-CG1 4.22Å; Y390-V406 HydrophobicContact CG-CG2 4.37Å; I391-V406 HydrophobicContact CD1-CG1 4.28Å; I391-V406 HydrophobicContact CG1-CB 4.09Å; I391-V406 HydrophobicContact CG1-CG1 3.61Å; R402-V406 WeakPolarHBondContact O-CG2 3.5Å; R402-V406 PolarHBondContact O-N 3.14Å; A403-V406 PolarHBondContact O-N 2.85Å; R404-V406 VanDerWaalsContact C-N 3.27Å; R404-V406 PolarHBondContact O-N 3.08Å; V406-Q408 PolarHBondContact O-N 3.43Å; V406-R409 PolarHBondContact O-N 3.48Å; V406-F410 VanDerWaalsContact O-CB 3.28Å; V406-F410 WeakPolarHBondContact O-CB 3.48Å; V406-F410 PolarHBondContact O-N 3.46Å
407	W	93.1	Very high	89.5	Confident	15 Å²	15	64 Å²	64	6%	0.057	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-43.4	173.7	-88.6	113.7	0	0	0	113.3	I391 A403 R404 R409 F410 I411 R422 Y423 F426	I391-W407 HydrophobicContact CD1-CD2 3.63Å; I391-W407 VanDerWaalsContact CD1-CE2 3.5Å; I391-W407 HydrophobicContact CD1-CE3 4.12Å; I391-W407 HydrophobicContact CD1-CG 3.98Å; I391-W407 HydrophobicContact CD1-CH2 4.24Å; I391-W407 HydrophobicContact CD1-CZ2 3.82Å; I391-W407 HydrophobicContact CD1-CZ3 4.41Å; I391-W407 HydrophobicContact CG1-CG 4.49Å; I391-W407 HydrophobicContact CG2-CZ2 4.43Å; A403-W407 VanDerWaalsContact O-CD1 3.25Å; A403-W407 PolarHBondContact O-N 3.42Å; R404-W407 WeakPolarHBondContact O-CB 3.47Å; R404-W407 PolarHBondContact O-N 2.91Å; W407-R409 VanDerWaalsContact C-N 3.31Å; W407-R409 PolarHBondContact O-N 2.91Å; W407-F410 AromaticContact CE3-CD1 3.67Å; W407-F410 HydrophobicContact CE3-CD1 3.67Å; W407-F410 HydrophobicContact CE3-CE1 4.37Å; W407-F410 HydrophobicContact CH2-CD1 4.41Å; W407-F410 HydrophobicContact CH2-CE1 4.41Å; W407-F410 AromaticContact CZ3-CD1 3.52Å; W407-F410 HydrophobicContact CZ3-CD1 3.52Å; W407-F410 AromaticContact CZ3-CE1 3.75Å; W407-F410 HydrophobicContact CZ3-CE1 3.75Å; W407-F410 WeakPolarHBondContact O-CB 3.48Å; W407-F410 PolarHBondContact O-N 3.47Å; W407-I411 WeakPolarHBondContact O-CG1 3.38Å; W407-I411 PolarHBondContact O-N 3.04Å; W407-R422 HydrophobicContact CH2-CB 3.52Å; W407-R422 HydrophobicContact CZ2-CB 4.37Å; W407-R422 HydrophobicContact CZ3-CB 4.02Å; W407-Y423 HydrophobicContact CB-CD2 3.33Å; W407-Y423 HydrophobicContact CB-CE2 3.42Å; W407-Y423 VanDerWaalsContact CB-CE2 3.42Å; W407-Y423 HydrophobicContact CB-CG 3.94Å; W407-Y423 AromaticContact CD1-CD2 3.81Å; W407-Y423 AromaticContact CD2-CD2 3.75Å; W407-Y423 HydrophobicContact CD2-CD2 3.75Å; W407-Y423 HydrophobicContact CD2-CG 4.13Å; W407-Y423 HydrophobicContact CE3-CD2 4.24Å; W407-Y423 HydrophobicContact CE3-CG 4.14Å; W407-Y423 AromaticContact CG-CD2 3.34Å; W407-Y423 HydrophobicContact CG-CD2 3.34Å; W407-Y423 AromaticContact CG-CE2 3.83Å; W407-Y423 HydrophobicContact CG-CE2 3.83Å; W407-Y423 HydrophobicContact CG-CG 4.08Å; W407-F426 AromaticContact CD1-CD1 3.65Å; W407-F426 AromaticContact CD1-CE1 3.88Å; W407-F426 AromaticContact CD1-CG 3.88Å; W407-F426 HydrophobicContact CZ2-CB 4.41Å; W407-F426 AromaticContact NE1-CD1 3.68Å; W407-F426 AromaticContact NE1-CD2 3.6Å; W407-F426 AromaticContact NE1-CG 3.38Å
408	Q	91.1	Very high	89.4	Confident	71 Å²	71	66.2 Å²	66.2	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-40.3	178	-72	175.6	14.5	0	0	111.7	R404 L405 V406 N412 Y423	R404-Q408 WeakPolarHBondContact O-CG 3.44Å; R404-Q408 PolarHBondContact O-N 3.36Å; L405-Q408 PolarHBondContact O-N 3.2Å; V406-Q408 PolarHBondContact O-N 3.43Å; Q408-N412 PolarHBondContact O-N 3.43Å; Q408-N412 PolarHBondContact O-ND2 2.94Å; Q408-Y423 HydrophobicContact CG-CE1 4.43Å
409	R	91.7	Very high	89.4	Confident	89 Å²	89	58.7 Å²	58.7	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-45.7	172.5	-72.3	168.3	63.7	-171.4	5.2	111.2	E375 W387 L405 V406 W407 I411 N412 T413	E375-R409 VanDerWaalsContact CD-NH1 3.28Å; E375-R409 IonicContact OE1-NH1 2.73Å; E375-R409 PolarHBondContact OE1-NH1 3.05Å; E375-R409 IonicContact OE2-CZ 3.76Å; E375-R409 VanDerWaalsContact OE2-CZ 3.26Å; E375-R409 IonicContact OE2-NH1 3.53Å; E375-R409 PolarHBondContact OE2-NH1 3.28Å; E375-R409 IonicContact OE2-NH2 2.79Å; E375-R409 PolarHBondContact OE2-NH2 3.04Å; W387-R409 HydrophobicContact CH2-CB 4Å; W387-R409 HydrophobicContact CZ3-CB 3.8Å; L405-R409 WeakPolarHBondContact O-CG 3.43Å; L405-R409 PolarHBondContact O-N 3.38Å; V406-R409 PolarHBondContact O-N 3.48Å; W407-R409 VanDerWaalsContact C-N 3.31Å; W407-R409 PolarHBondContact O-N 2.91Å; R409-I411 VanDerWaalsContact C-N 3.3Å; R409-I411 PolarHBondContact O-N 3.45Å; R409-N412 WeakPolarHBondContact O-CB 3.49Å; R409-N412 PolarHBondContact O-N 3.37Å; R409-T413 PolarHBondContact O-N 2.87Å; R409-T413 VanDerWaalsContact O-N 3.09Å; R409-T413 PolarHBondContact O-OG1 2.96Å
410	F	92.6	Very high	89.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-42.3	-177.4	179.8	-139	0	0	0	112.5	E384 W387 I391 V406 W407 N412 T413 D414 N419	E384-F410 HydrophobicContact CB-CE2 4.48Å; E384-F410 HydrophobicContact CB-CZ 4.04Å; E384-F410 HydrophobicContact CG-CZ 3.88Å; W387-F410 HydrophobicContact CB-CB 4.32Å; W387-F410 HydrophobicContact CB-CD1 4.18Å; W387-F410 HydrophobicContact CB-CD2 3.39Å; W387-F410 HydrophobicContact CB-CE1 4.39Å; W387-F410 HydrophobicContact CB-CE2 3.6Å; W387-F410 HydrophobicContact CB-CG 3.7Å; W387-F410 HydrophobicContact CB-CZ 4.14Å; W387-F410 AromaticContact CD1-CD2 3.32Å; W387-F410 AromaticContact CD1-CE2 3.41Å; W387-F410 VanDerWaalsContact CD1-CE2 3.41Å; W387-F410 HydrophobicContact CD2-CB 3.92Å; W387-F410 AromaticContact CD2-CD2 3.5Å; W387-F410 HydrophobicContact CD2-CD2 3.5Å; W387-F410 HydrophobicContact CD2-CE2 4.35Å; W387-F410 HydrophobicContact CD2-CG 4Å; W387-F410 AromaticContact CE2-CD2 3.93Å; W387-F410 HydrophobicContact CE3-CB 3.7Å; W387-F410 HydrophobicContact CE3-CD2 4.2Å; W387-F410 HydrophobicContact CE3-CG 4.26Å; W387-F410 HydrophobicContact CG-CB 4.21Å; W387-F410 AromaticContact CG-CD2 3.09Å; W387-F410 HydrophobicContact CG-CD2 3.09Å; W387-F410 AromaticContact CG-CE2 3.52Å; W387-F410 HydrophobicContact CG-CE2 3.52Å; W387-F410 AromaticContact CG-CG 3.78Å; W387-F410 HydrophobicContact CG-CG 3.78Å; W387-F410 HydrophobicContact CG-CZ 4.49Å; W387-F410 HydrophobicContact CZ3-CB 4.29Å; W387-F410 AromaticContact NE1-CD2 3.8Å; I391-F410 HydrophobicContact CD1-CD1 4.48Å; V406-F410 VanDerWaalsContact O-CB 3.28Å; V406-F410 WeakPolarHBondContact O-CB 3.48Å; V406-F410 PolarHBondContact O-N 3.46Å; W407-F410 AromaticContact CE3-CD1 3.67Å; W407-F410 HydrophobicContact CE3-CD1 3.67Å; W407-F410 HydrophobicContact CE3-CE1 4.37Å; W407-F410 HydrophobicContact CH2-CD1 4.41Å; W407-F410 HydrophobicContact CH2-CE1 4.41Å; W407-F410 AromaticContact CZ3-CD1 3.52Å; W407-F410 HydrophobicContact CZ3-CD1 3.52Å; W407-F410 AromaticContact CZ3-CE1 3.75Å; W407-F410 HydrophobicContact CZ3-CE1 3.75Å; W407-F410 WeakPolarHBondContact O-CB 3.48Å; W407-F410 PolarHBondContact O-N 3.47Å; F410-N412 VanDerWaalsContact C-N 3.34Å; F410-N412 PolarHBondContact O-N 3.4Å; F410-T413 PolarHBondContact O-N 3.14Å; F410-D414 HydrophobicContact CD2-CB 4.36Å; F410-D414 HydrophobicContact CE2-CB 3.92Å; F410-D414 WeakPolarHBondContact CE2-OD2 3.48Å; F410-D414 HydrophobicContact CZ-CB 4.45Å; F410-D414 PolarHBondContact O-N 3.14Å; F410-N419 HydrophobicContact CE1-CB 3.95Å; F410-N419 HydrophobicContact CZ-CB 4.36Å; F410-N419 VanDerWaalsContact CZ-ND2 3.31Å; F410-N419 WeakPolarHBondContact CZ-ND2 3.31Å
411	I	88.4	Confident	89.4	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-34	177.4	-74.6	168.1	0	0	0	112.7	W407 R409 T413 W420 Y423	W407-I411 WeakPolarHBondContact O-CG1 3.38Å; W407-I411 PolarHBondContact O-N 3.04Å; R409-I411 VanDerWaalsContact C-N 3.3Å; R409-I411 PolarHBondContact O-N 3.45Å; I411-T413 VanDerWaalsContact C-N 3.3Å; I411-W420 HydrophobicContact CD1-CD2 4.23Å; I411-W420 HydrophobicContact CD1-CE3 3.96Å; I411-W420 HydrophobicContact CD1-CZ3 4.31Å; I411-W420 HydrophobicContact CG1-CD2 4.49Å; I411-W420 HydrophobicContact CG2-CD2 3.76Å; I411-W420 HydrophobicContact CG2-CE3 4.02Å; I411-W420 HydrophobicContact CG2-CH2 3.45Å; I411-W420 VanDerWaalsContact CG2-CH2 3.45Å; I411-W420 HydrophobicContact CG2-CZ2 3.11Å; I411-W420 HydrophobicContact CG2-CZ3 3.88Å; I411-Y423 HydrophobicContact CD1-CD1 3.13Å; I411-Y423 HydrophobicContact CD1-CE1 3.94Å; I411-Y423 HydrophobicContact CD1-CG 3.68Å
412	N	86.2	Confident	89.4	Confident	109 Å²	109	54.5 Å²	54.5	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-71	-30.6	176.8	-69.3	-17.1	0	0	0	111.6	Q408 R409 F410	Q408-N412 PolarHBondContact O-N 3.43Å; Q408-N412 PolarHBondContact O-ND2 2.94Å; R409-N412 WeakPolarHBondContact O-CB 3.49Å; R409-N412 PolarHBondContact O-N 3.37Å; F410-N412 VanDerWaalsContact C-N 3.34Å; F410-N412 PolarHBondContact O-N 3.4Å
413	T	83.5	Confident	89.4	Confident	40 Å²	40	49.9 Å²	49.9	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-78.1	-54.1	176.3	-54.8	0	0	0	0	111.5	E381 W387 R409 F410 I411	E381-T413 HydrophobicContact CB-CG2 3.87Å; E381-T413 HydrophobicContact CG-CG2 3.83Å; W387-T413 HydrophobicContact CZ2-CG2 4.29Å; R409-T413 PolarHBondContact O-N 2.87Å; R409-T413 VanDerWaalsContact O-N 3.09Å; R409-T413 PolarHBondContact O-OG1 2.96Å; F410-T413 PolarHBondContact O-N 3.14Å; I411-T413 VanDerWaalsContact C-N 3.3Å
414	D	75.2	Confident	89.4	Confident	45 Å²	45	49.9 Å²	49.9	24%	0.241	23%	0.227	C	C	.	.			trans	-103.5	113.9	-175.2	-79	-4.5	0	0	0	112	F410 D416 N419	F410-D414 HydrophobicContact CD2-CB 4.36Å; F410-D414 HydrophobicContact CE2-CB 3.92Å; F410-D414 WeakPolarHBondContact CE2-OD2 3.48Å; F410-D414 HydrophobicContact CZ-CB 4.45Å; F410-D414 PolarHBondContact O-N 3.14Å; D414-D416 PolarHBondContact O-N 3.23Å; D414-D416 VanDerWaalsContact O-N 3.16Å; D414-N419 VanDerWaalsContact CB-ND2 3.31Å; D414-N419 WeakPolarHBondContact CB-ND2 3.2Å
415	R	76.6	Confident	89.4	Confident	188 Å²	188	54.5 Å²	54.5	71%	0.709	25%	0.245	S	C	*	.			trans	-79.7	12.1	-174.8	-54.4	-173.8	-178.1	171.8	-1.4	115.3	Y446	R415-Y446 WeakPolarHBondContact CG-OH 3.36Å
416	D	85.4	Confident	89.4	Confident	62 Å²	62	50 Å²	50	33%	0.332	22%	0.221	S	C	.	.			trans	-75	133.1	-176.5	-167.4	-6.8	0	0	0	111.4	D414 K418 N419	D414-D416 PolarHBondContact O-N 3.23Å; D414-D416 VanDerWaalsContact O-N 3.16Å; D416-K418 PolarHBondContact O-N 3.46Å; D416-K418 PolarHBondContact OD1-N 3.02Å; D416-N419 PolarHBondContact O-N 3.02Å
417	S	86.6	Confident	89.4	Confident	16 Å²	16	49.9 Å²	49.9	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-28	176.2	62.8	0	0	0	0	112.4	N419 W420 I421 D453	S417-N419 VanDerWaalsContact C-N 3.3Å; S417-N419 PolarHBondContact O-N 2.83Å; S417-W420 PolarHBondContact O-N 3.34Å; S417-I421 WeakPolarHBondContact O-CG1 3.41Å; S417-I421 PolarHBondContact O-N 3.27Å; S417-D453 VanDerWaalsContact CB-OD2 3.24Å; S417-D453 WeakPolarHBondContact CB-OD2 3.48Å; S417-D453 VanDerWaalsContact OG-CG 3.26Å; S417-D453 PolarHBondContact OG-OD1 3.45Å; S417-D453 PolarHBondContact OG-OD2 2.88Å
418	K	91.4	Very high	89.3	Confident	124 Å²	124	51.4 Å²	51.4	54%	0.539	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-36.9	174.7	-65	178	-171.1	164.1	0	112.7	D416 I421 R422	D416-K418 PolarHBondContact O-N 3.46Å; D416-K418 PolarHBondContact OD1-N 3.02Å; K418-I421 PolarHBondContact O-N 3.38Å; K418-R422 WeakPolarHBondContact O-CG 3.44Å; K418-R422 PolarHBondContact O-N 3.46Å
419	N	91.2	Very high	89.4	Confident	1 Å²	1	57 Å²	57	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-38.3	-177.6	-68.1	-22.3	0	0	0	111.2	F410 D414 D416 S417 I421 R422 Y423	F410-N419 HydrophobicContact CE1-CB 3.95Å; F410-N419 HydrophobicContact CZ-CB 4.36Å; F410-N419 VanDerWaalsContact CZ-ND2 3.31Å; F410-N419 WeakPolarHBondContact CZ-ND2 3.31Å; D414-N419 VanDerWaalsContact CB-ND2 3.31Å; D414-N419 WeakPolarHBondContact CB-ND2 3.2Å; D416-N419 PolarHBondContact O-N 3.02Å; S417-N419 VanDerWaalsContact C-N 3.3Å; S417-N419 PolarHBondContact O-N 2.83Å; N419-I421 PolarHBondContact O-N 2.76Å; N419-R422 PolarHBondContact O-N 3.42Å; N419-Y423 PolarHBondContact O-N 3.24Å
420	W	92.3	Very high	89.2	Confident	7 Å²	7	56 Å²	56	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-47.2	171.1	-71.7	97	0	0	0	112.3	I411 S417 R422 Y423 A424 V439 R442 A443 Y446 F447	I411-W420 HydrophobicContact CD1-CD2 4.23Å; I411-W420 HydrophobicContact CD1-CE3 3.96Å; I411-W420 HydrophobicContact CD1-CZ3 4.31Å; I411-W420 HydrophobicContact CG1-CD2 4.49Å; I411-W420 HydrophobicContact CG2-CD2 3.76Å; I411-W420 HydrophobicContact CG2-CE3 4.02Å; I411-W420 HydrophobicContact CG2-CH2 3.45Å; I411-W420 VanDerWaalsContact CG2-CH2 3.45Å; I411-W420 HydrophobicContact CG2-CZ2 3.11Å; I411-W420 HydrophobicContact CG2-CZ3 3.88Å; S417-W420 PolarHBondContact O-N 3.34Å; W420-R422 VanDerWaalsContact C-N 3.3Å; W420-R422 PolarHBondContact O-N 2.89Å; W420-Y423 PolarHBondContact O-N 3.46Å; W420-A424 PolarHBondContact O-N 3.04Å; W420-V439 HydrophobicContact CE3-CG1 4.17Å; W420-R442 HydrophobicContact CH2-CB 4.22Å; W420-R442 HydrophobicContact CZ3-CB 3.89Å; W420-A443 HydrophobicContact CB-CB 4.05Å; W420-A443 HydrophobicContact CD2-CB 3.72Å; W420-A443 HydrophobicContact CE3-CB 3.54Å; W420-A443 HydrophobicContact CG-CB 3.99Å; W420-A443 HydrophobicContact CZ3-CB 4.15Å; W420-Y446 HydrophobicContact CH2-CG 4.47Å; W420-Y446 AromaticContact CZ2-CD1 3.9Å; W420-Y446 HydrophobicContact CZ2-CD1 3.9Å; W420-Y446 HydrophobicContact CZ2-CD2 4.18Å; W420-Y446 AromaticContact CZ2-CG 3.69Å; W420-Y446 HydrophobicContact CZ2-CG 3.69Å; W420-F447 AromaticContact CD1-CE2 3.72Å; W420-F447 AromaticContact CD1-CZ 3.82Å; W420-F447 HydrophobicContact CG-CE2 4.28Å; W420-F447 AromaticContact NE1-CE2 3.98Å; W420-F447 AromaticContact NE1-CZ 4Å
421	I	92.7	Very high	88.9	Confident	24 Å²	24	58.6 Å²	58.6	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-39.4	178.2	-63.4	168.1	0	0	0	110.7	S417 K418 N419 A424 R425 V456 A459	S417-I421 WeakPolarHBondContact O-CG1 3.41Å; S417-I421 PolarHBondContact O-N 3.27Å; K418-I421 PolarHBondContact O-N 3.38Å; N419-I421 PolarHBondContact O-N 2.76Å; I421-A424 PolarHBondContact O-N 3.47Å; I421-R425 WeakPolarHBondContact O-CB 3.39Å; I421-R425 VanDerWaalsContact O-CG 3.28Å; I421-R425 WeakPolarHBondContact O-CG 3.32Å; I421-R425 PolarHBondContact O-N 3.42Å; I421-V456 HydrophobicContact CD1-CG2 4.45Å; I421-V456 HydrophobicContact CG1-CG2 4.3Å; I421-A459 HydrophobicContact CD1-CB 4.25Å; I421-A459 HydrophobicContact CG1-CB 4.05Å; I421-A459 HydrophobicContact CG2-CB 4.08Å
422	R	92.5	Very high	88.9	Confident	95 Å²	95	60 Å²	60	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-38.4	177.6	-71.2	178.6	-173.5	-169.8	17.5	112.6	E384 W407 K418 N419 W420 R425 F426	E384-R422 IonicContact OE1-CZ 3.56Å; E384-R422 IonicContact OE1-NH1 2.75Å; E384-R422 PolarHBondContact OE1-NH1 3.03Å; E384-R422 IonicContact OE1-NH2 2.95Å; E384-R422 PolarHBondContact OE1-NH2 3.09Å; W407-R422 HydrophobicContact CH2-CB 3.52Å; W407-R422 HydrophobicContact CZ2-CB 4.37Å; W407-R422 HydrophobicContact CZ3-CB 4.02Å; K418-R422 WeakPolarHBondContact O-CG 3.44Å; K418-R422 PolarHBondContact O-N 3.46Å; N419-R422 PolarHBondContact O-N 3.42Å; W420-R422 VanDerWaalsContact C-N 3.3Å; W420-R422 PolarHBondContact O-N 2.89Å; R422-R425 PolarHBondContact O-N 3.1Å; R422-F426 WeakPolarHBondContact O-CB 3.46Å; R422-F426 PolarHBondContact O-N 2.93Å
423	Y	93.6	Very high	89.1	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-43.6	174.8	-179	-144.7	0	0	0	111.7	W407 Q408 I411 N419 W420 R425 F426 E427 V439	W407-Y423 HydrophobicContact CB-CD2 3.33Å; W407-Y423 HydrophobicContact CB-CE2 3.42Å; W407-Y423 VanDerWaalsContact CB-CE2 3.42Å; W407-Y423 HydrophobicContact CB-CG 3.94Å; W407-Y423 AromaticContact CD1-CD2 3.81Å; W407-Y423 AromaticContact CD2-CD2 3.75Å; W407-Y423 HydrophobicContact CD2-CD2 3.75Å; W407-Y423 HydrophobicContact CD2-CG 4.13Å; W407-Y423 HydrophobicContact CE3-CD2 4.24Å; W407-Y423 HydrophobicContact CE3-CG 4.14Å; W407-Y423 AromaticContact CG-CD2 3.34Å; W407-Y423 HydrophobicContact CG-CD2 3.34Å; W407-Y423 AromaticContact CG-CE2 3.83Å; W407-Y423 HydrophobicContact CG-CE2 3.83Å; W407-Y423 HydrophobicContact CG-CG 4.08Å; Q408-Y423 HydrophobicContact CG-CE1 4.43Å; I411-Y423 HydrophobicContact CD1-CD1 3.13Å; I411-Y423 HydrophobicContact CD1-CE1 3.94Å; I411-Y423 HydrophobicContact CD1-CG 3.68Å; N419-Y423 PolarHBondContact O-N 3.24Å; W420-Y423 PolarHBondContact O-N 3.46Å; Y423-R425 VanDerWaalsContact C-N 3.34Å; Y423-R425 PolarHBondContact O-N 3.29Å; Y423-F426 HydrophobicContact CD2-CD1 4.14Å; Y423-F426 HydrophobicContact CE2-CD1 4.25Å; Y423-F426 WeakPolarHBondContact O-CA 3.46Å; Y423-F426 VanDerWaalsContact O-CB 3.28Å; Y423-F426 WeakPolarHBondContact O-CB 3.4Å; Y423-F426 PolarHBondContact O-N 3.39Å; Y423-E427 HydrophobicContact CD2-CG 4.46Å; Y423-E427 HydrophobicContact CE2-CG 4.07Å; Y423-E427 PolarHBondContact O-N 2.89Å; Y423-V439 HydrophobicContact CD1-CB 4.07Å; Y423-V439 HydrophobicContact CD1-CG1 3.37Å; Y423-V439 HydrophobicContact CD1-CG2 3.42Å; Y423-V439 VanDerWaalsContact CD1-CG2 3.42Å; Y423-V439 HydrophobicContact CE1-CB 4.26Å; Y423-V439 HydrophobicContact CE1-CG1 4.02Å; Y423-V439 HydrophobicContact CE1-CG2 3.19Å; Y423-V439 HydrophobicContact CE2-CG2 4.45Å; Y423-V439 HydrophobicContact CG-CG1 4.04Å; Y423-V439 HydrophobicContact CG-CG2 4.2Å
424	A	92.9	Very high	89.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-44.5	175	0	0	0	0	0	111.4	W420 I421 F426 E427 E428 V439 Y440	W420-A424 PolarHBondContact O-N 3.04Å; I421-A424 PolarHBondContact O-N 3.47Å; A424-F426 VanDerWaalsContact C-N 3.26Å; A424-F426 PolarHBondContact O-N 3.36Å; A424-E427 PolarHBondContact O-N 2.84Å; A424-E428 WeakPolarHBondContact O-CG 3.36Å; A424-E428 PolarHBondContact O-N 2.85Å; A424-V439 HydrophobicContact CB-CB 4.33Å; A424-V439 HydrophobicContact CB-CG1 3.89Å; A424-Y440 HydrophobicContact CB-CD1 4.14Å; A424-Y440 HydrophobicContact CB-CD2 3.96Å; A424-Y440 HydrophobicContact CB-CE1 3.68Å; A424-Y440 HydrophobicContact CB-CE2 3.49Å; A424-Y440 VanDerWaalsContact CB-CE2 3.49Å; A424-Y440 HydrophobicContact CB-CG 4.26Å
425	R	92.8	Very high	90.3	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-27.5	173.1	-74	179.3	-177.7	-175.4	3.3	113.7	I421 R422 Y423 R429	I421-R425 WeakPolarHBondContact O-CB 3.39Å; I421-R425 VanDerWaalsContact O-CG 3.28Å; I421-R425 WeakPolarHBondContact O-CG 3.32Å; I421-R425 PolarHBondContact O-N 3.42Å; R422-R425 PolarHBondContact O-N 3.1Å; Y423-R425 VanDerWaalsContact C-N 3.34Å; Y423-R425 PolarHBondContact O-N 3.29Å; R425-R429 WeakPolarHBondContact O-CG 3.45Å; R425-R429 PolarHBondContact O-N 3.34Å; R425-R429 VanDerWaalsContact O-N 3.14Å; R425-R429 PolarHBondContact O-NE 2.84Å
426	F	93.1	Very high	91.1	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-49.6	172.7	167.8	-94.3	0	0	0	110.1	M395 V400 A403 R404 W407 R422 Y423 A424 E428 R429 Q430	M395-F426 HydrophobicContact CE-CE2 4.12Å; M395-F426 HydrophobicContact CG-CE2 3.96Å; M395-F426 HydrophobicContact SD-CE2 3.46Å; M395-F426 WeakPolarHBondContact SD-CE2 3.41Å; M395-F426 HydrophobicContact SD-CZ 3.76Å; V400-F426 HydrophobicContact CG1-CE1 4.48Å; V400-F426 HydrophobicContact CG1-CZ 4.13Å; A403-F426 HydrophobicContact CB-CE2 4.4Å; A403-F426 HydrophobicContact CB-CZ 3.83Å; R404-F426 HydrophobicContact CG-CE1 3.99Å; W407-F426 AromaticContact CD1-CD1 3.65Å; W407-F426 AromaticContact CD1-CE1 3.88Å; W407-F426 AromaticContact CD1-CG 3.88Å; W407-F426 HydrophobicContact CZ2-CB 4.41Å; W407-F426 AromaticContact NE1-CD1 3.68Å; W407-F426 AromaticContact NE1-CD2 3.6Å; W407-F426 AromaticContact NE1-CG 3.38Å; R422-F426 WeakPolarHBondContact O-CB 3.46Å; R422-F426 PolarHBondContact O-N 2.93Å; Y423-F426 HydrophobicContact CD2-CD1 4.14Å; Y423-F426 HydrophobicContact CE2-CD1 4.25Å; Y423-F426 WeakPolarHBondContact O-CA 3.46Å; Y423-F426 VanDerWaalsContact O-CB 3.28Å; Y423-F426 WeakPolarHBondContact O-CB 3.4Å; Y423-F426 PolarHBondContact O-N 3.39Å; A424-F426 VanDerWaalsContact C-N 3.26Å; A424-F426 PolarHBondContact O-N 3.36Å; F426-E428 VanDerWaalsContact C-N 3.33Å; F426-E428 PolarHBondContact O-N 3.2Å; F426-R429 PolarHBondContact O-N 2.86Å; F426-R429 VanDerWaalsContact O-N 3.14Å; F426-Q430 HydrophobicContact CE1-CG 4.22Å; F426-Q430 HydrophobicContact CE2-CG 4.35Å; F426-Q430 HydrophobicContact CZ-CG 4.07Å; F426-Q430 WeakPolarHBondContact O-CG 3.2Å; F426-Q430 PolarHBondContact O-N 3.2Å; F426-Q430 VanDerWaalsContact O-N 3.09Å
427	E	93.8	Very high	91.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-37	175.7	-71.2	-62.9	153.9	0	0	112.8	R404 Y423 A424 R429 Q430 G431 S432 N435 A436 V439	R404-E427 VanDerWaalsContact CD-OE1 3.29Å; R404-E427 WeakPolarHBondContact CD-OE1 3.27Å; R404-E427 WeakPolarHBondContact CG-OE1 3.5Å; R404-E427 IonicContact CZ-OE2 3.69Å; R404-E427 IonicContact NE-OE1 3.43Å; R404-E427 PolarHBondContact NE-OE1 2.83Å; R404-E427 IonicContact NE-OE2 3.77Å; R404-E427 PolarHBondContact NE-OE2 3.03Å; R404-E427 IonicContact NH2-OE2 3.91Å; R404-E427 PolarHBondContact NH2-OE2 2.68Å; Y423-E427 HydrophobicContact CD2-CG 4.46Å; Y423-E427 HydrophobicContact CE2-CG 4.07Å; Y423-E427 PolarHBondContact O-N 2.89Å; A424-E427 PolarHBondContact O-N 2.84Å; E427-R429 VanDerWaalsContact C-N 3.35Å; E427-R429 PolarHBondContact O-N 3.45Å; E427-Q430 PolarHBondContact O-N 2.81Å; E427-G431 PolarHBondContact O-N 3.04Å; E427-S432 PolarHBondContact O-N 3.04Å; E427-S432 WeakPolarHBondContact OE2-CB 3.46Å; E427-N435 HydrophobicContact CB-CB 4.22Å; E427-N435 HydrophobicContact CG-CB 3.84Å; E427-N435 WeakPolarHBondContact OE2-CB 3.19Å; E427-N435 PolarHBondContact OE2-ND2 2.62Å; E427-N435 VanDerWaalsContact OE2-ND2 3.07Å; E427-A436 HydrophobicContact CB-CB 3.81Å; E427-V439 HydrophobicContact CG-CG2 4.36Å
428	E	92	Very high	91.9	Very high	47 Å²	47	58.9 Å²	58.9	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-44	172.3	-75.4	-175.3	-148	0	0	111.7	A424 F426 Q430 G431 A436 F463 R466	A424-E428 WeakPolarHBondContact O-CG 3.36Å; A424-E428 PolarHBondContact O-N 2.85Å; F426-E428 VanDerWaalsContact C-N 3.33Å; F426-E428 PolarHBondContact O-N 3.2Å; E428-Q430 VanDerWaalsContact C-N 3.3Å; E428-Q430 PolarHBondContact O-N 3.31Å; E428-G431 PolarHBondContact O-N 3.23Å; E428-A436 HydrophobicContact CG-CB 3.87Å; E428-F463 VanDerWaalsContact CD-CD2 3.49Å; E428-F463 HydrophobicContact CG-CD2 3.75Å; E428-F463 HydrophobicContact CG-CE2 3.86Å; E428-F463 WeakPolarHBondContact OE1-CD2 3.44Å; E428-R466 VanDerWaalsContact CD-NH2 3.26Å; E428-R466 IonicContact OE1-NH2 2.9Å; E428-R466 PolarHBondContact OE1-NH2 3.41Å; E428-R466 IonicContact OE2-CZ 2.84Å; E428-R466 IonicContact OE2-NE 3.87Å; E428-R466 PolarHBondContact OE2-NE 2.75Å; E428-R466 IonicContact OE2-NH2 3.72Å; E428-R466 PolarHBondContact OE2-NH2 3.34Å
429	R	91.7	Very high	92	Very high	190 Å²	190	53.2 Å²	53.2	72%	0.717	25%	0.25	S	C	*	.	H	α-helix	trans	-67.9	-29.1	178.5	-78.9	-176	-74.6	-175.2	0.4	113.3	R425 F426 E427 G431	R425-R429 WeakPolarHBondContact O-CG 3.45Å; R425-R429 PolarHBondContact O-N 3.34Å; R425-R429 VanDerWaalsContact O-N 3.14Å; R425-R429 PolarHBondContact O-NE 2.84Å; F426-R429 PolarHBondContact O-N 2.86Å; F426-R429 VanDerWaalsContact O-N 3.14Å; E427-R429 VanDerWaalsContact C-N 3.35Å; E427-R429 PolarHBondContact O-N 3.45Å; R429-G431 PolarHBondContact O-N 3.41Å
430	Q	88.3	Confident	92.1	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.2	172	-59.4	-51.4	-47.6	0	0	112.9	V400 F426 E427 E428 S432	V400-Q430 HydrophobicContact CG1-CG 3.79Å; F426-Q430 HydrophobicContact CE1-CG 4.22Å; F426-Q430 HydrophobicContact CE2-CG 4.35Å; F426-Q430 HydrophobicContact CZ-CG 4.07Å; F426-Q430 WeakPolarHBondContact O-CG 3.2Å; F426-Q430 PolarHBondContact O-N 3.2Å; F426-Q430 VanDerWaalsContact O-N 3.09Å; E427-Q430 PolarHBondContact O-N 2.81Å; E428-Q430 VanDerWaalsContact C-N 3.3Å; E428-Q430 PolarHBondContact O-N 3.31Å; Q430-S432 PolarHBondContact O-N 3.38Å
431	G	85.9	Confident	92.1	Very high	53 Å²	53	57.4 Å²	57.4	55%	0.546	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	6.1	-178.2	0	0	0	0	0	114.5	E427 E428 R429 I433	E427-G431 PolarHBondContact O-N 3.04Å; E428-G431 PolarHBondContact O-N 3.23Å; R429-G431 PolarHBondContact O-N 3.41Å; G431-I433 PolarHBondContact O-N 3.24Å; G431-I433 VanDerWaalsContact O-N 3.08Å
432	S	89.1	Confident	92	Very high	35 Å²	35	60.6 Å²	60.6	25%	0.245	28%	0.28	C	S	.	.			trans	-87.3	74	-177.3	-66.5	0	0	0	0	111.2	R404 E427 Q430 K434 N435 A436	R404-S432 PolarHBondContact NH2-OG 3.48Å; E427-S432 PolarHBondContact O-N 3.04Å; E427-S432 WeakPolarHBondContact OE2-CB 3.46Å; Q430-S432 PolarHBondContact O-N 3.38Å; S432-K434 VanDerWaalsContact C-N 3.27Å; S432-K434 PolarHBondContact O-N 2.96Å; S432-N435 PolarHBondContact O-N 3.09Å; S432-A436 PolarHBondContact O-N 3.44Å
433	I	90.8	Very high	92	Very high	68 Å²	68	56.1 Å²	56.1	35%	0.349	26%	0.263	S	S	.	.	H	α-helix	trans	-55	-41.5	-176.8	-60.5	158.2	0	0	0	111.9	G431 N435 A436 R437 F463 Q467	G431-I433 PolarHBondContact O-N 3.24Å; G431-I433 VanDerWaalsContact O-N 3.08Å; I433-N435 VanDerWaalsContact C-N 3.33Å; I433-N435 PolarHBondContact O-N 3.04Å; I433-A436 PolarHBondContact O-N 3.28Å; I433-R437 PolarHBondContact O-N 3.32Å; I433-F463 HydrophobicContact CG2-CE2 4.31Å; I433-F463 HydrophobicContact CG2-CZ 3.83Å; I433-Q467 VanDerWaalsContact CD1-OE1 3.27Å; I433-Q467 HydrophobicContact CG2-CG 3.98Å
434	K	92.6	Very high	91.8	Very high	176 Å²	176	57.2 Å²	57.2	77%	0.765	27%	0.271	S	S	*	.	H	α-helix	trans	-59.6	-43.7	178.5	-66.5	-176.8	-179.7	-179.8	0	111.8	S432 L438	S432-K434 VanDerWaalsContact C-N 3.27Å; S432-K434 PolarHBondContact O-N 2.96Å; K434-L438 WeakPolarHBondContact O-CB 3.47Å; K434-L438 PolarHBondContact O-N 3.14Å
435	N	91.7	Very high	91.7	Very high	59 Å²	59	64.9 Å²	64.9	32%	0.316	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-44.3	178.7	-66.2	-8.8	0	0	0	110.8	E427 S432 I433 R437 L438 V439	E427-N435 HydrophobicContact CB-CB 4.22Å; E427-N435 HydrophobicContact CG-CB 3.84Å; E427-N435 WeakPolarHBondContact OE2-CB 3.19Å; E427-N435 PolarHBondContact OE2-ND2 2.62Å; E427-N435 VanDerWaalsContact OE2-ND2 3.07Å; S432-N435 PolarHBondContact O-N 3.09Å; I433-N435 VanDerWaalsContact C-N 3.33Å; I433-N435 PolarHBondContact O-N 3.04Å; N435-R437 VanDerWaalsContact C-N 3.27Å; N435-R437 PolarHBondContact O-N 2.8Å; N435-L438 WeakPolarHBondContact O-CB 3.3Å; N435-L438 PolarHBondContact O-N 3.32Å; N435-L438 VanDerWaalsContact O-N 3.11Å; N435-V439 VanDerWaalsContact O-CG2 3.31Å; N435-V439 WeakPolarHBondContact O-CG2 3.3Å; N435-V439 PolarHBondContact O-N 2.84Å
436	A	93.5	Very high	91.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.4	-43.5	177.4	0	0	0	0	0	111.6	E427 E428 S432 I433 V439 Y440 F463	E427-A436 HydrophobicContact CB-CB 3.81Å; E428-A436 HydrophobicContact CG-CB 3.87Å; S432-A436 PolarHBondContact O-N 3.44Å; I433-A436 PolarHBondContact O-N 3.28Å; A436-V439 WeakPolarHBondContact O-CB 3.38Å; A436-V439 PolarHBondContact O-N 3.04Å; A436-Y440 VanDerWaalsContact O-CD2 3.23Å; A436-Y440 WeakPolarHBondContact O-CD2 3.32Å; A436-Y440 PolarHBondContact O-N 3.02Å; A436-Y440 VanDerWaalsContact O-N 3.08Å; A436-F463 HydrophobicContact CB-CE2 3.74Å; A436-F463 HydrophobicContact CB-CZ 3.88Å
437	R	94.2	Very high	91.2	Very high	44 Å²	44	64.7 Å²	64.7	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-47.3	174	-172.4	175.6	-70.9	129.6	-2.9	112.2	I433 N435 V439 Y440 E441 F460 F463 E464 R472	I433-R437 PolarHBondContact O-N 3.32Å; N435-R437 VanDerWaalsContact C-N 3.27Å; N435-R437 PolarHBondContact O-N 2.8Å; R437-V439 PolarHBondContact O-N 3.01Å; R437-Y440 PolarHBondContact O-N 3.28Å; R437-Y440 VanDerWaalsContact O-N 3.08Å; R437-E441 HydrophobicContact CG-CG 4.39Å; R437-E441 WeakPolarHBondContact O-CG 3.38Å; R437-E441 PolarHBondContact O-N 3.42Å; R437-F460 HydrophobicContact CG-CE2 4.38Å; R437-F463 HydrophobicContact CB-CE1 3.82Å; R437-F463 HydrophobicContact CB-CZ 4.14Å; R437-F463 HydrophobicContact CG-CE1 4.33Å; R437-E464 IonicContact CZ-OE1 3.65Å; R437-E464 IonicContact CZ-OE2 3.58Å; R437-E464 IonicContact NE-OE1 2.73Å; R437-E464 PolarHBondContact NE-OE1 3.19Å; R437-E464 IonicContact NE-OE2 3.4Å; R437-E464 IonicContact NH2-OE1 3.69Å; R437-E464 IonicContact NH2-OE2 2.89Å; R437-E464 PolarHBondContact NH2-OE2 3.47Å; R437-R472 VanDerWaalsContact CD-NH1 3.3Å; R437-R472 VanDerWaalsContact NE-NH1 3.17Å
438	L	93.7	Very high	90.7	Very high	89 Å²	89	66 Å²	66	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-36	176.9	-175.3	68.2	0	0	0	112	K434 N435 R442	K434-L438 WeakPolarHBondContact O-CB 3.47Å; K434-L438 PolarHBondContact O-N 3.14Å; N435-L438 WeakPolarHBondContact O-CB 3.3Å; N435-L438 PolarHBondContact O-N 3.32Å; N435-L438 VanDerWaalsContact O-N 3.11Å; L438-R442 WeakPolarHBondContact O-CB 3.42Å; L438-R442 VanDerWaalsContact O-CG 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.48Å; L438-R442 PolarHBondContact O-N 3.17Å
439	V	93.2	Very high	90.1	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-44.2	174.6	174	0	0	0	0	111.2	W420 Y423 A424 E427 N435 A436 R437 R442 A443	W420-V439 HydrophobicContact CE3-CG1 4.17Å; Y423-V439 HydrophobicContact CD1-CB 4.07Å; Y423-V439 HydrophobicContact CD1-CG1 3.37Å; Y423-V439 HydrophobicContact CD1-CG2 3.42Å; Y423-V439 VanDerWaalsContact CD1-CG2 3.42Å; Y423-V439 HydrophobicContact CE1-CB 4.26Å; Y423-V439 HydrophobicContact CE1-CG1 4.02Å; Y423-V439 HydrophobicContact CE1-CG2 3.19Å; Y423-V439 HydrophobicContact CE2-CG2 4.45Å; Y423-V439 HydrophobicContact CG-CG1 4.04Å; Y423-V439 HydrophobicContact CG-CG2 4.2Å; A424-V439 HydrophobicContact CB-CB 4.33Å; A424-V439 HydrophobicContact CB-CG1 3.89Å; E427-V439 HydrophobicContact CG-CG2 4.36Å; N435-V439 VanDerWaalsContact O-CG2 3.31Å; N435-V439 WeakPolarHBondContact O-CG2 3.3Å; N435-V439 PolarHBondContact O-N 2.84Å; A436-V439 WeakPolarHBondContact O-CB 3.38Å; A436-V439 PolarHBondContact O-N 3.04Å; R437-V439 PolarHBondContact O-N 3.01Å; V439-R442 PolarHBondContact O-N 3.27Å; V439-A443 WeakPolarHBondContact O-CB 3.22Å; V439-A443 PolarHBondContact O-N 3Å
440	Y	93.5	Very high	89.3	Confident	3 Å²	3	66.9 Å²	66.9	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-43.5	175.8	-77.6	-59	0	0	0	112.4	A424 A436 R437 R442 A443 V444 V456 A459 F460 F463	A424-Y440 HydrophobicContact CB-CD1 4.14Å; A424-Y440 HydrophobicContact CB-CD2 3.96Å; A424-Y440 HydrophobicContact CB-CE1 3.68Å; A424-Y440 HydrophobicContact CB-CE2 3.49Å; A424-Y440 VanDerWaalsContact CB-CE2 3.49Å; A424-Y440 HydrophobicContact CB-CG 4.26Å; A436-Y440 VanDerWaalsContact O-CD2 3.23Å; A436-Y440 WeakPolarHBondContact O-CD2 3.32Å; A436-Y440 PolarHBondContact O-N 3.02Å; A436-Y440 VanDerWaalsContact O-N 3.08Å; R437-Y440 PolarHBondContact O-N 3.28Å; R437-Y440 VanDerWaalsContact O-N 3.08Å; Y440-R442 PolarHBondContact O-N 3.44Å; Y440-A443 WeakPolarHBondContact O-CB 3.43Å; Y440-A443 PolarHBondContact O-N 3.28Å; Y440-A443 VanDerWaalsContact O-N 3.16Å; Y440-V444 WeakPolarHBondContact O-CG2 3.44Å; Y440-V444 PolarHBondContact O-N 2.89Å; Y440-V456 HydrophobicContact CD1-CG1 4.49Å; Y440-A459 HydrophobicContact CE1-CB 3.93Å; Y440-F460 HydrophobicContact CD1-CB 3.78Å; Y440-F460 HydrophobicContact CD1-CD2 4.19Å; Y440-F460 HydrophobicContact CD1-CG 4.2Å; Y440-F460 AromaticContact CD2-CD2 3.65Å; Y440-F460 HydrophobicContact CD2-CD2 3.65Å; Y440-F460 HydrophobicContact CD2-CE2 4.28Å; Y440-F460 HydrophobicContact CD2-CG 4.44Å; Y440-F460 HydrophobicContact CE1-CB 4.24Å; Y440-F460 HydrophobicContact CE2-CD2 4.48Å; Y440-F460 HydrophobicContact CG-CB 3.97Å; Y440-F460 AromaticContact CG-CD2 3.48Å; Y440-F460 HydrophobicContact CG-CD2 3.48Å; Y440-F460 VanDerWaalsContact CG-CD2 3.48Å; Y440-F460 HydrophobicContact CG-CE2 4.18Å; Y440-F460 AromaticContact CG-CG 3.9Å; Y440-F460 HydrophobicContact CG-CG 3.9Å; Y440-F463 HydrophobicContact CD2-CB 4.18Å; Y440-F463 AromaticContact CD2-CD1 3.77Å; Y440-F463 HydrophobicContact CD2-CD1 3.77Å; Y440-F463 HydrophobicContact CD2-CE1 4.32Å; Y440-F463 AromaticContact CD2-CG 3.96Å; Y440-F463 HydrophobicContact CD2-CG 3.96Å; Y440-F463 HydrophobicContact CE2-CB 3.54Å; Y440-F463 AromaticContact CE2-CD1 3.93Å; Y440-F463 HydrophobicContact CE2-CD1 3.93Å; Y440-F463 HydrophobicContact CE2-CD2 4.17Å; Y440-F463 AromaticContact CE2-CG 3.6Å; Y440-F463 HydrophobicContact CE2-CG 3.6Å
441	E	92.2	Very high	88.9	Confident	92 Å²	92	70.3 Å²	70.3	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-58.6	-47.8	175.3	-72.9	172.9	179.3	0	0	110.9	R437 A443 V444 E445	R437-E441 HydrophobicContact CG-CG 4.39Å; R437-E441 WeakPolarHBondContact O-CG 3.38Å; R437-E441 PolarHBondContact O-N 3.42Å; E441-A443 VanDerWaalsContact C-N 3.32Å; E441-A443 PolarHBondContact O-N 3.03Å; E441-V444 PolarHBondContact O-N 3.1Å; E441-E445 WeakPolarHBondContact O-CB 3.48Å; E441-E445 PolarHBondContact O-N 3.41Å
442	R	91.6	Very high	88.6	Confident	91 Å²	91	68.7 Å²	68.7	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-36.1	174.7	-74.8	178.8	65	-176.9	-1.5	112.9	W420 L438 V439 Y440 Y446	W420-R442 HydrophobicContact CH2-CB 4.22Å; W420-R442 HydrophobicContact CZ3-CB 3.89Å; L438-R442 WeakPolarHBondContact O-CB 3.42Å; L438-R442 VanDerWaalsContact O-CG 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.48Å; L438-R442 PolarHBondContact O-N 3.17Å; V439-R442 PolarHBondContact O-N 3.27Å; Y440-R442 PolarHBondContact O-N 3.44Å; R442-Y446 WeakPolarHBondContact O-CB 3.41Å; R442-Y446 PolarHBondContact O-N 2.86Å
443	A	91.6	Very high	88.3	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-46.1	177.1	0	0	0	0	0	110.9	W420 V439 Y440 E441 Y446 F447 V456	W420-A443 HydrophobicContact CB-CB 4.05Å; W420-A443 HydrophobicContact CD2-CB 3.72Å; W420-A443 HydrophobicContact CE3-CB 3.54Å; W420-A443 HydrophobicContact CG-CB 3.99Å; W420-A443 HydrophobicContact CZ3-CB 4.15Å; V439-A443 WeakPolarHBondContact O-CB 3.22Å; V439-A443 PolarHBondContact O-N 3Å; Y440-A443 WeakPolarHBondContact O-CB 3.43Å; Y440-A443 PolarHBondContact O-N 3.28Å; Y440-A443 VanDerWaalsContact O-N 3.16Å; E441-A443 VanDerWaalsContact C-N 3.32Å; E441-A443 PolarHBondContact O-N 3.03Å; A443-Y446 PolarHBondContact O-N 3.39Å; A443-F447 WeakPolarHBondContact O-CD2 3.43Å; A443-F447 PolarHBondContact O-N 3.48Å; A443-V456 HydrophobicContact CB-CG1 3.8Å
444	V	90.3	Very high	88.2	Confident	34 Å²	34	67 Å²	67	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-41.6	178.1	175.6	0	0	0	0	111	Y440 E441 G448 V456 L457 F460 Y479	Y440-V444 WeakPolarHBondContact O-CG2 3.44Å; Y440-V444 PolarHBondContact O-N 2.89Å; E441-V444 PolarHBondContact O-N 3.1Å; V444-G448 PolarHBondContact O-N 2.94Å; V444-G448 VanDerWaalsContact O-N 3.1Å; V444-V456 HydrophobicContact CG2-CG1 4.31Å; V444-L457 HydrophobicContact CG2-CD2 4.06Å; V444-F460 HydrophobicContact CG2-CD1 4.37Å; V444-Y479 HydrophobicContact CG1-CE1 4.26Å
445	E	89.6	Confident	88.1	Confident	160 Å²	160	60 Å²	60	75%	0.748	30%	0.303	S	S	*	.	H	α-helix	trans	-63.3	-41.9	174.7	-172	-179.4	-174.2	0	0	112	E441 G448	E441-E445 WeakPolarHBondContact O-CB 3.48Å; E441-E445 PolarHBondContact O-N 3.41Å; E445-G448 PolarHBondContact O-N 3.29Å
446	Y	88.5	Confident	88	Confident	106 Å²	106	57.4 Å²	57.4	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-43.5	-179.3	-178.7	-95.7	0	0	0	113.2	R415 W420 R442 A443 G448	R415-Y446 WeakPolarHBondContact CG-OH 3.36Å; W420-Y446 HydrophobicContact CH2-CG 4.47Å; W420-Y446 AromaticContact CZ2-CD1 3.9Å; W420-Y446 HydrophobicContact CZ2-CD1 3.9Å; W420-Y446 HydrophobicContact CZ2-CD2 4.18Å; W420-Y446 AromaticContact CZ2-CG 3.69Å; W420-Y446 HydrophobicContact CZ2-CG 3.69Å; R442-Y446 WeakPolarHBondContact O-CB 3.41Å; R442-Y446 PolarHBondContact O-N 2.86Å; A443-Y446 PolarHBondContact O-N 3.39Å; Y446-G448 VanDerWaalsContact C-N 3.27Å
447	F	86.4	Confident	88	Confident	37 Å²	37	57.8 Å²	57.8	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-73.5	-22	176.8	-74	-63.4	0	0	0	112.7	W420 A443 D453 V456	W420-F447 AromaticContact CD1-CE2 3.72Å; W420-F447 AromaticContact CD1-CZ 3.82Å; W420-F447 HydrophobicContact CG-CE2 4.28Å; W420-F447 AromaticContact NE1-CE2 3.98Å; W420-F447 AromaticContact NE1-CZ 4Å; A443-F447 WeakPolarHBondContact O-CD2 3.43Å; A443-F447 PolarHBondContact O-N 3.48Å; F447-D453 HydrophobicContact CD2-CB 4.47Å; F447-V456 HydrophobicContact CD2-CG2 4.22Å; F447-V456 HydrophobicContact CE2-CG2 3.87Å
448	G	83.5	Confident	87.9	Confident	28 Å²	28	57.3 Å²	57.3	29%	0.289	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-162.4	178.2	0	0	0	0	0	113	V444 E445 Y446 V452	V444-G448 PolarHBondContact O-N 2.94Å; V444-G448 VanDerWaalsContact O-N 3.1Å; E445-G448 PolarHBondContact O-N 3.29Å; Y446-G448 VanDerWaalsContact C-N 3.27Å; G448-V452 WeakPolarHBondContact O-CG2 3.41Å
449	T	80.1	Confident	87.8	Confident	86 Å²	86	53.6 Å²	53.6	53%	0.528	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-21.2	179.3	50.2	0	0	0	0	113.2	V452	T449-V452 WeakPolarHBondContact O-CG2 3.36Å
450	E	75.7	Confident	87.9	Confident	169 Å²	169	54.5 Å²	54.5	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-38.6	-176.9	-66	-174.5	170.7	0	0	113.1
451	H	79.4	Confident	87.9	Confident	140 Å²	140	54.3 Å²	54.3	65%	0.648	28%	0.277	S	S	*	.	S	Bend	trans	-123.5	54.3	-174.2	-67.2	89.4	0	0	0	111.4	D453	H451-D453 PolarHBondContact O-N 3Å; H451-D453 VanDerWaalsContact O-N 3.08Å
452	V	78.5	Confident	87.9	Confident	19 Å²	19	55.3 Å²	55.3	12%	0.115	28%	0.28	C	S	.	.			trans	-63.4	112.1	179.7	-175	0	0	0	0	110.7	G448 T449 V454 L457 H483 V484	G448-V452 WeakPolarHBondContact O-CG2 3.41Å; T449-V452 WeakPolarHBondContact O-CG2 3.36Å; V452-V454 PolarHBondContact O-N 2.99Å; V452-L457 HydrophobicContact CG1-CD1 3.27Å; V452-L457 HydrophobicContact CG1-CG 4.08Å; V452-H483 HydrophobicContact CG2-CB 3.91Å; V452-V484 HydrophobicContact CB-CG2 4.25Å; V452-V484 HydrophobicContact CG1-CG2 3.77Å
453	D	84.2	Confident	88.1	Confident	47 Å²	47	51 Å²	51	25%	0.251	26%	0.264	S	S	.	.			trans	-80.9	117.9	174.4	-173.2	-80.8	0	0	0	110.7	S417 F447 H451 G455 V456 L457	S417-D453 VanDerWaalsContact CB-OD2 3.24Å; S417-D453 WeakPolarHBondContact CB-OD2 3.48Å; S417-D453 VanDerWaalsContact OG-CG 3.26Å; S417-D453 PolarHBondContact OG-OD1 3.45Å; S417-D453 PolarHBondContact OG-OD2 2.88Å; F447-D453 HydrophobicContact CD2-CB 4.47Å; H451-D453 PolarHBondContact O-N 3Å; H451-D453 VanDerWaalsContact O-N 3.08Å; D453-G455 VanDerWaalsContact C-N 3.25Å; D453-G455 PolarHBondContact O-N 3.33Å; D453-G455 WeakPolarHBondContact OD1-CA 3.27Å; D453-G455 PolarHBondContact OD1-N 2.82Å; D453-V456 HydrophobicContact CB-CB 4.42Å; D453-V456 HydrophobicContact CB-CG2 4.05Å; D453-V456 PolarHBondContact O-N 3.14Å; D453-V456 PolarHBondContact OD1-N 3.35Å; D453-L457 PolarHBondContact O-N 3.07Å
454	V	88.4	Confident	88.2	Confident	20 Å²	20	51 Å²	51	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-33	179.9	177.7	0	0	0	0	111.9	V452 L457 L458 V484 K488 P491 I492	V452-V454 PolarHBondContact O-N 2.99Å; V454-L457 PolarHBondContact O-N 3.4Å; V454-L458 HydrophobicContact CG1-CD1 3.76Å; V454-L458 HydrophobicContact CG1-CG 4.16Å; V454-L458 WeakPolarHBondContact O-CB 3.29Å; V454-L458 VanDerWaalsContact O-CG 3.27Å; V454-L458 WeakPolarHBondContact O-CG 3.45Å; V454-L458 PolarHBondContact O-N 3.49Å; V454-V484 HydrophobicContact CG2-CG1 3.61Å; V454-V484 HydrophobicContact CG2-CG2 4.2Å; V454-K488 HydrophobicContact CG2-CB 4.02Å; V454-P491 HydrophobicContact CG1-CG 4Å; V454-I492 HydrophobicContact CB-CD1 4.48Å; V454-I492 HydrophobicContact CG1-CD1 3.79Å; V454-I492 HydrophobicContact CG1-CG1 3.82Å; V454-I492 HydrophobicContact CG2-CD1 4.09Å
455	G	89.6	Confident	88.3	Confident	31 Å²	31	51.1 Å²	51.1	32%	0.32	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-42.1	179.1	0	0	0	0	0	112.4	D453 A459	D453-G455 VanDerWaalsContact C-N 3.25Å; D453-G455 PolarHBondContact O-N 3.33Å; D453-G455 WeakPolarHBondContact OD1-CA 3.27Å; D453-G455 PolarHBondContact OD1-N 2.82Å; G455-A459 VanDerWaalsContact O-CB 3.27Å; G455-A459 WeakPolarHBondContact O-CB 3.44Å; G455-A459 PolarHBondContact O-N 3.36Å
456	V	91	Very high	88.3	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-47.9	176.6	178	0	0	0	0	110.7	I421 Y440 A443 V444 F447 D453 L458 A459 F460	I421-V456 HydrophobicContact CD1-CG2 4.45Å; I421-V456 HydrophobicContact CG1-CG2 4.3Å; Y440-V456 HydrophobicContact CD1-CG1 4.49Å; A443-V456 HydrophobicContact CB-CG1 3.8Å; V444-V456 HydrophobicContact CG2-CG1 4.31Å; F447-V456 HydrophobicContact CD2-CG2 4.22Å; F447-V456 HydrophobicContact CE2-CG2 3.87Å; D453-V456 HydrophobicContact CB-CB 4.42Å; D453-V456 HydrophobicContact CB-CG2 4.05Å; D453-V456 PolarHBondContact O-N 3.14Å; D453-V456 PolarHBondContact OD1-N 3.35Å; V456-L458 PolarHBondContact O-N 2.84Å; V456-A459 PolarHBondContact O-N 2.84Å; V456-F460 WeakPolarHBondContact O-CB 3.45Å; V456-F460 PolarHBondContact O-N 3.47Å
457	L	92.1	Very high	88.5	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-43.4	179.9	-70.4	179.4	0	0	0	112.5	V444 V452 D453 V454 A459 F460 A461 I476 Y479 A480 V484	V444-L457 HydrophobicContact CG2-CD2 4.06Å; V452-L457 HydrophobicContact CG1-CD1 3.27Å; V452-L457 HydrophobicContact CG1-CG 4.08Å; D453-L457 PolarHBondContact O-N 3.07Å; V454-L457 PolarHBondContact O-N 3.4Å; L457-A459 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 3.49Å; L457-F460 PolarHBondContact O-N 3.48Å; L457-A461 WeakPolarHBondContact O-CB 3.45Å; L457-A461 PolarHBondContact O-N 2.89Å; L457-I476 HydrophobicContact CB-CG2 4.48Å; L457-I476 HydrophobicContact CD2-CG2 4.21Å; L457-Y479 HydrophobicContact CD1-CD1 4.45Å; L457-Y479 HydrophobicContact CD2-CD1 4.21Å; L457-A480 HydrophobicContact CD1-CB 3.7Å; L457-V484 HydrophobicContact CD1-CG2 4.24Å
458	L	92.3	Very high	88.6	Confident	34 Å²	34	53.5 Å²	53.5	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-39.1	175.8	-73.2	174.3	0	0	0	112	V454 V456 F460 K462 Y477 P491 I492 A495	V454-L458 HydrophobicContact CG1-CD1 3.76Å; V454-L458 HydrophobicContact CG1-CG 4.16Å; V454-L458 WeakPolarHBondContact O-CB 3.29Å; V454-L458 VanDerWaalsContact O-CG 3.27Å; V454-L458 WeakPolarHBondContact O-CG 3.45Å; V454-L458 PolarHBondContact O-N 3.49Å; V456-L458 PolarHBondContact O-N 2.84Å; L458-F460 VanDerWaalsContact C-N 3.34Å; L458-K462 WeakPolarHBondContact O-CB 3.36Å; L458-K462 VanDerWaalsContact O-CG 3.28Å; L458-K462 WeakPolarHBondContact O-CG 3.19Å; L458-K462 PolarHBondContact O-N 3.47Å; L458-Y477 HydrophobicContact CD2-CE1 4.2Å; L458-P491 HydrophobicContact CD1-CB 4.21Å; L458-I492 HydrophobicContact CD2-CG1 4.31Å; L458-A495 HydrophobicContact CD2-CB 3.66Å
459	A	92.9	Very high	89	Confident	12 Å²	12	56.1 Å²	56.1	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-40	175.6	0	0	0	0	0	111.3	I421 Y440 G455 V456 L457 K462 F463	I421-A459 HydrophobicContact CD1-CB 4.25Å; I421-A459 HydrophobicContact CG1-CB 4.05Å; I421-A459 HydrophobicContact CG2-CB 4.08Å; Y440-A459 HydrophobicContact CE1-CB 3.93Å; G455-A459 VanDerWaalsContact O-CB 3.27Å; G455-A459 WeakPolarHBondContact O-CB 3.44Å; G455-A459 PolarHBondContact O-N 3.36Å; V456-A459 PolarHBondContact O-N 2.84Å; L457-A459 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 3.49Å; A459-K462 PolarHBondContact O-N 3.14Å; A459-F463 WeakPolarHBondContact O-CB 3.44Å; A459-F463 PolarHBondContact O-N 3.01Å
460	F	94.4	Very high	89.4	Confident	23 Å²	23	54.1 Å²	54.1	10%	0.101	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-44.5	178.2	-173.4	-151.6	0	0	0	112	R437 Y440 V444 V456 L457 L458 K462 F463 E464 I476	R437-F460 HydrophobicContact CG-CE2 4.38Å; Y440-F460 HydrophobicContact CD1-CB 3.78Å; Y440-F460 HydrophobicContact CD1-CD2 4.19Å; Y440-F460 HydrophobicContact CD1-CG 4.2Å; Y440-F460 AromaticContact CD2-CD2 3.65Å; Y440-F460 HydrophobicContact CD2-CD2 3.65Å; Y440-F460 HydrophobicContact CD2-CE2 4.28Å; Y440-F460 HydrophobicContact CD2-CG 4.44Å; Y440-F460 HydrophobicContact CE1-CB 4.24Å; Y440-F460 HydrophobicContact CE2-CD2 4.48Å; Y440-F460 HydrophobicContact CG-CB 3.97Å; Y440-F460 AromaticContact CG-CD2 3.48Å; Y440-F460 HydrophobicContact CG-CD2 3.48Å; Y440-F460 VanDerWaalsContact CG-CD2 3.48Å; Y440-F460 HydrophobicContact CG-CE2 4.18Å; Y440-F460 AromaticContact CG-CG 3.9Å; Y440-F460 HydrophobicContact CG-CG 3.9Å; V444-F460 HydrophobicContact CG2-CD1 4.37Å; V456-F460 WeakPolarHBondContact O-CB 3.45Å; V456-F460 PolarHBondContact O-N 3.47Å; L457-F460 PolarHBondContact O-N 3.48Å; L458-F460 VanDerWaalsContact C-N 3.34Å; F460-K462 VanDerWaalsContact C-N 3.33Å; F460-K462 PolarHBondContact O-N 3.4Å; F460-F463 AromaticContact CD2-CD1 3.97Å; F460-F463 HydrophobicContact CD2-CD1 3.97Å; F460-F463 HydrophobicContact CE2-CD1 4.08Å; F460-F463 HydrophobicContact CE2-CE1 4.47Å; F460-F463 WeakPolarHBondContact O-CB 3.5Å; F460-F463 PolarHBondContact O-N 2.98Å; F460-F463 VanDerWaalsContact O-N 3.09Å; F460-E464 HydrophobicContact CD2-CG 4.13Å; F460-E464 HydrophobicContact CE2-CG 3.79Å; F460-E464 WeakPolarHBondContact CE2-OE1 3.3Å; F460-E464 HydrophobicContact CZ-CG 4.37Å; F460-E464 PolarHBondContact O-N 3Å; F460-I476 HydrophobicContact CD1-CD1 3.46Å; F460-I476 VanDerWaalsContact CD1-CD1 3.46Å; F460-I476 HydrophobicContact CD1-CG1 3.84Å; F460-I476 HydrophobicContact CD1-CG2 4.46Å; F460-I476 HydrophobicContact CD2-CD1 4.24Å; F460-I476 HydrophobicContact CE1-CD1 3.6Å; F460-I476 HydrophobicContact CE1-CG1 3.89Å; F460-I476 HydrophobicContact CE2-CD1 4.35Å; F460-I476 HydrophobicContact CG-CD1 3.81Å; F460-I476 HydrophobicContact CZ-CD1 4.05Å
461	A	93.4	Very high	90.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-44.7	173.2	0	0	0	0	0	111.5	L457 F463 E464 E465 V473 I476 Y477	L457-A461 WeakPolarHBondContact O-CB 3.45Å; L457-A461 PolarHBondContact O-N 2.89Å; A461-F463 VanDerWaalsContact C-N 3.3Å; A461-F463 PolarHBondContact O-N 3.39Å; A461-E464 PolarHBondContact O-N 3.34Å; A461-E465 WeakPolarHBondContact O-CB 3.38Å; A461-E465 PolarHBondContact O-N 3.16Å; A461-V473 HydrophobicContact CB-CG1 4.22Å; A461-V473 WeakPolarHBondContact O-CG2 3.44Å; A461-I476 HydrophobicContact CB-CG2 4.04Å; A461-Y477 HydrophobicContact CB-CD1 4.5Å; A461-Y477 HydrophobicContact CB-CE1 3.82Å; A461-Y477 HydrophobicContact CB-CE2 4.3Å
462	K	93	Very high	90.7	Very high	113 Å²	113	49.4 Å²	49.4	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-65.4	-31.6	175.2	-74.5	177.9	179.5	-178.6	0	113	L458 A459 F460 R466	L458-K462 WeakPolarHBondContact O-CB 3.36Å; L458-K462 VanDerWaalsContact O-CG 3.28Å; L458-K462 WeakPolarHBondContact O-CG 3.19Å; L458-K462 PolarHBondContact O-N 3.47Å; A459-K462 PolarHBondContact O-N 3.14Å; F460-K462 VanDerWaalsContact C-N 3.33Å; F460-K462 PolarHBondContact O-N 3.4Å; K462-R466 WeakPolarHBondContact O-CG 3.36Å; K462-R466 PolarHBondContact O-N 3.48Å; K462-R466 PolarHBondContact O-NH1 3.44Å
463	F	94.2	Very high	91.3	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-49.3	174.7	163.9	-103	0	0	0	111	E428 I433 A436 R437 Y440 A459 F460 A461 E465 R466 Q467	E428-F463 VanDerWaalsContact CD-CD2 3.49Å; E428-F463 HydrophobicContact CG-CD2 3.75Å; E428-F463 HydrophobicContact CG-CE2 3.86Å; E428-F463 WeakPolarHBondContact OE1-CD2 3.44Å; I433-F463 HydrophobicContact CG2-CE2 4.31Å; I433-F463 HydrophobicContact CG2-CZ 3.83Å; A436-F463 HydrophobicContact CB-CE2 3.74Å; A436-F463 HydrophobicContact CB-CZ 3.88Å; R437-F463 HydrophobicContact CB-CE1 3.82Å; R437-F463 HydrophobicContact CB-CZ 4.14Å; R437-F463 HydrophobicContact CG-CE1 4.33Å; Y440-F463 HydrophobicContact CD2-CB 4.18Å; Y440-F463 AromaticContact CD2-CD1 3.77Å; Y440-F463 HydrophobicContact CD2-CD1 3.77Å; Y440-F463 HydrophobicContact CD2-CE1 4.32Å; Y440-F463 AromaticContact CD2-CG 3.96Å; Y440-F463 HydrophobicContact CD2-CG 3.96Å; Y440-F463 HydrophobicContact CE2-CB 3.54Å; Y440-F463 AromaticContact CE2-CD1 3.93Å; Y440-F463 HydrophobicContact CE2-CD1 3.93Å; Y440-F463 HydrophobicContact CE2-CD2 4.17Å; Y440-F463 AromaticContact CE2-CG 3.6Å; Y440-F463 HydrophobicContact CE2-CG 3.6Å; A459-F463 WeakPolarHBondContact O-CB 3.44Å; A459-F463 PolarHBondContact O-N 3.01Å; F460-F463 AromaticContact CD2-CD1 3.97Å; F460-F463 HydrophobicContact CD2-CD1 3.97Å; F460-F463 HydrophobicContact CE2-CD1 4.08Å; F460-F463 HydrophobicContact CE2-CE1 4.47Å; F460-F463 WeakPolarHBondContact O-CB 3.5Å; F460-F463 PolarHBondContact O-N 2.98Å; F460-F463 VanDerWaalsContact O-N 3.09Å; A461-F463 VanDerWaalsContact C-N 3.3Å; A461-F463 PolarHBondContact O-N 3.39Å; F463-E465 VanDerWaalsContact C-N 3.3Å; F463-E465 PolarHBondContact O-N 2.97Å; F463-R466 WeakPolarHBondContact O-CB 3.41Å; F463-R466 PolarHBondContact O-N 3.41Å; F463-R466 VanDerWaalsContact O-N 3.07Å; F463-Q467 HydrophobicContact CD2-CG 4.46Å; F463-Q467 HydrophobicContact CE1-CG 4.33Å; F463-Q467 HydrophobicContact CE2-CG 4.06Å; F463-Q467 HydrophobicContact CZ-CG 4Å; F463-Q467 WeakPolarHBondContact O-CG 3.29Å; F463-Q467 PolarHBondContact O-N 3.13Å; F463-Q467 VanDerWaalsContact O-N 3.08Å
464	E	94.1	Very high	91.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-31.3	177.6	-65.1	-65.6	178.4	0	0	112.1	R437 F460 A461 R466 Q467 K468 E469 R472 V473 I476	R437-E464 IonicContact CZ-OE1 3.65Å; R437-E464 IonicContact CZ-OE2 3.58Å; R437-E464 IonicContact NE-OE1 2.73Å; R437-E464 PolarHBondContact NE-OE1 3.19Å; R437-E464 IonicContact NE-OE2 3.4Å; R437-E464 IonicContact NH2-OE1 3.69Å; R437-E464 IonicContact NH2-OE2 2.89Å; R437-E464 PolarHBondContact NH2-OE2 3.47Å; F460-E464 HydrophobicContact CD2-CG 4.13Å; F460-E464 HydrophobicContact CE2-CG 3.79Å; F460-E464 WeakPolarHBondContact CE2-OE1 3.3Å; F460-E464 HydrophobicContact CZ-CG 4.37Å; F460-E464 PolarHBondContact O-N 3Å; A461-E464 PolarHBondContact O-N 3.34Å; E464-R466 VanDerWaalsContact C-N 3.32Å; E464-R466 PolarHBondContact O-N 3.28Å; E464-Q467 CarbonylContact O-C 3.56Å; E464-Q467 PolarHBondContact O-N 2.88Å; E464-Q467 VanDerWaalsContact O-N 3.11Å; E464-K468 PolarHBondContact O-N 3.5Å; E464-K468 VanDerWaalsContact O-N 3.1Å; E464-E469 HydrophobicContact CB-CB 4.4Å; E464-E469 PolarHBondContact O-N 3.38Å; E464-R472 HydrophobicContact CB-CB 4.37Å; E464-R472 HydrophobicContact CG-CB 4.24Å; E464-R472 IonicContact OE1-NH1 2.94Å; E464-V473 HydrophobicContact CB-CG2 3.66Å; E464-I476 HydrophobicContact CB-CD1 4.44Å; E464-I476 HydrophobicContact CG-CD1 3.93Å
465	E	92	Very high	91.7	Very high	36 Å²	36	51.9 Å²	51.9	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-42.1	169.5	-172	-173.2	167.7	0	0	110.9	A461 F463 Q467 K468 V473 K502 Y503	A461-E465 WeakPolarHBondContact O-CB 3.38Å; A461-E465 PolarHBondContact O-N 3.16Å; F463-E465 VanDerWaalsContact C-N 3.3Å; F463-E465 PolarHBondContact O-N 2.97Å; E465-Q467 VanDerWaalsContact C-N 3.29Å; E465-Q467 PolarHBondContact O-N 3.45Å; E465-K468 PolarHBondContact O-N 3.44Å; E465-K468 VanDerWaalsContact O-N 3.14Å; E465-V473 HydrophobicContact CB-CG2 4.23Å; E465-K502 IonicContact OE1-NZ 3.37Å; E465-K502 PolarHBondContact OE1-NZ 2.99Å; E465-Y503 HydrophobicContact CG-CE2 3.84Å; E465-Y503 WeakPolarHBondContact OE1-CE2 3.47Å
466	R	91.1	Very high	91.8	Very high	126 Å²	126	51.1 Å²	51.1	48%	0.475	23%	0.234	S	C	.	.	H	α-helix	trans	-65.7	-31.1	174.4	-74	-171.1	-70.3	-74.8	3.5	112.6	E428 K462 F463 E464 K468	E428-R466 VanDerWaalsContact CD-NH2 3.26Å; E428-R466 IonicContact OE1-NH2 2.9Å; E428-R466 PolarHBondContact OE1-NH2 3.41Å; E428-R466 IonicContact OE2-CZ 2.84Å; E428-R466 IonicContact OE2-NE 3.87Å; E428-R466 PolarHBondContact OE2-NE 2.75Å; E428-R466 IonicContact OE2-NH2 3.72Å; E428-R466 PolarHBondContact OE2-NH2 3.34Å; K462-R466 WeakPolarHBondContact O-CG 3.36Å; K462-R466 PolarHBondContact O-N 3.48Å; K462-R466 PolarHBondContact O-NH1 3.44Å; F463-R466 WeakPolarHBondContact O-CB 3.41Å; F463-R466 PolarHBondContact O-N 3.41Å; F463-R466 VanDerWaalsContact O-N 3.07Å; E464-R466 VanDerWaalsContact C-N 3.32Å; E464-R466 PolarHBondContact O-N 3.28Å; R466-K468 VanDerWaalsContact C-N 3.25Å; R466-K468 PolarHBondContact O-N 2.9Å
467	Q	91.8	Very high	91.7	Very high	59 Å²	59	51.2 Å²	51.2	28%	0.276	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.7	175.5	-58.6	-50.5	-49.6	0	0	113.5	I433 F463 E464 E465 E469	I433-Q467 VanDerWaalsContact CD1-OE1 3.27Å; I433-Q467 HydrophobicContact CG2-CG 3.98Å; F463-Q467 HydrophobicContact CD2-CG 4.46Å; F463-Q467 HydrophobicContact CE1-CG 4.33Å; F463-Q467 HydrophobicContact CE2-CG 4.06Å; F463-Q467 HydrophobicContact CZ-CG 4Å; F463-Q467 WeakPolarHBondContact O-CG 3.29Å; F463-Q467 PolarHBondContact O-N 3.13Å; F463-Q467 VanDerWaalsContact O-N 3.08Å; E464-Q467 CarbonylContact O-C 3.56Å; E464-Q467 PolarHBondContact O-N 2.88Å; E464-Q467 VanDerWaalsContact O-N 3.11Å; E465-Q467 VanDerWaalsContact C-N 3.29Å; E465-Q467 PolarHBondContact O-N 3.45Å; Q467-E469 HydrophobicContact CB-CG 4.3Å; Q467-E469 PolarHBondContact O-N 3.14Å
468	K	89.2	Confident	91.5	Very high	167 Å²	167	57.8 Å²	57.8	73%	0.726	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	23.2	-176.4	-52.1	179.3	178.2	-179.1	0	114.3	E464 E465 R466 H470	E464-K468 PolarHBondContact O-N 3.5Å; E464-K468 VanDerWaalsContact O-N 3.1Å; E465-K468 PolarHBondContact O-N 3.44Å; E465-K468 VanDerWaalsContact O-N 3.14Å; R466-K468 VanDerWaalsContact C-N 3.25Å; R466-K468 PolarHBondContact O-N 2.9Å; K468-H470 PolarHBondContact O-CD2 2.84Å; K468-H470 PolarHBondContact O-N 3.45Å
469	E	92.1	Very high	91.4	Very high	84 Å²	84	59.2 Å²	59.2	39%	0.393	26%	0.262	S	S	.	.			trans	-94	65.2	178.9	-70.8	-75	164.4	0	0	110.5	E464 Q467 D471 R472 V473	E464-E469 HydrophobicContact CB-CB 4.4Å; E464-E469 PolarHBondContact O-N 3.38Å; Q467-E469 HydrophobicContact CB-CG 4.3Å; Q467-E469 PolarHBondContact O-N 3.14Å; E469-D471 VanDerWaalsContact C-N 3.26Å; E469-D471 PolarHBondContact O-N 3.38Å; E469-R472 HydrophobicContact CB-CB 4.18Å; E469-R472 HydrophobicContact CB-CG 4.06Å; E469-R472 WeakPolarHBondContact O-CB 3.5Å; E469-R472 PolarHBondContact O-N 3.07Å; E469-R472 VanDerWaalsContact O-N 3.09Å; E469-R472 IonicContact OE2-NE 3.27Å; E469-V473 PolarHBondContact O-N 3.15Å
470	H	89.2	Confident	91.2	Very high	43 Å²	43	58.7 Å²	58.7	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-31.7	-172	-60.6	-66	0	0	0	113.8	K468 V473 R474 H499 Y503	K468-H470 PolarHBondContact O-CD2 2.84Å; K468-H470 PolarHBondContact O-N 3.45Å; H470-V473 WeakPolarHBondContact O-CB 3.16Å; H470-V473 PolarHBondContact O-N 2.84Å; H470-R474 WeakPolarHBondContact O-CG 3.43Å; H470-R474 PolarHBondContact O-N 3.41Å; H470-H499 AromaticContact ND1-NE2 3.31Å; H470-H499 PolarHBondContact ND1-NE2 3.38Å; H470-Y503 AromaticContact CE1-CD1 3.37Å; H470-Y503 WeakPolarHBondContact CE1-CD1 3.35Å; H470-Y503 AromaticContact CE1-CD2 3.49Å; H470-Y503 VanDerWaalsContact CE1-CD2 3.49Å; H470-Y503 WeakPolarHBondContact CE1-CD2 3.47Å; H470-Y503 AromaticContact CE1-CE1 3.53Å; H470-Y503 AromaticContact CE1-CE2 3.63Å; H470-Y503 AromaticContact CE1-CG 3.34Å; H470-Y503 AromaticContact CE1-CZ 3.65Å; H470-Y503 AromaticContact ND1-CD2 3.54Å; H470-Y503 AromaticContact ND1-CG 3.52Å; H470-Y503 AromaticContact NE2-CD1 3.71Å; H470-Y503 AromaticContact NE2-CE1 3.96Å
471	D	89.5	Confident	90.7	Very high	109 Å²	109	60.8 Å²	60.8	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-67.5	-37.6	176.9	-66.6	-31.8	0	0	0	112	E469 V473 R474 V475	E469-D471 VanDerWaalsContact C-N 3.26Å; E469-D471 PolarHBondContact O-N 3.38Å; D471-V473 VanDerWaalsContact C-N 3.32Å; D471-R474 PolarHBondContact O-N 3.23Å; D471-R474 IonicContact OD1-NH1 3.71Å; D471-R474 PolarHBondContact OD1-NH1 3.44Å; D471-V475 WeakPolarHBondContact O-CG2 3.39Å; D471-V475 PolarHBondContact O-N 3.37Å
472	R	91.6	Very high	90.4	Very high	102 Å²	102	67.9 Å²	67.9	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-40.9	173.2	-62.9	-174.6	179.6	-139.8	-9.9	110.9	R437 E464 E469 R474 V475 I476	R437-R472 VanDerWaalsContact CD-NH1 3.3Å; R437-R472 VanDerWaalsContact NE-NH1 3.17Å; E464-R472 HydrophobicContact CB-CB 4.37Å; E464-R472 HydrophobicContact CG-CB 4.24Å; E464-R472 IonicContact OE1-NH1 2.94Å; E469-R472 HydrophobicContact CB-CB 4.18Å; E469-R472 HydrophobicContact CB-CG 4.06Å; E469-R472 WeakPolarHBondContact O-CB 3.5Å; E469-R472 PolarHBondContact O-N 3.07Å; E469-R472 VanDerWaalsContact O-N 3.09Å; E469-R472 IonicContact OE2-NE 3.27Å; R472-R474 VanDerWaalsContact C-N 3.31Å; R472-R474 PolarHBondContact O-N 3.19Å; R472-V475 PolarHBondContact O-N 3.37Å; R472-V475 VanDerWaalsContact O-N 3.15Å; R472-I476 VanDerWaalsContact O-CG1 3.27Å; R472-I476 WeakPolarHBondContact O-CG1 3.41Å; R472-I476 PolarHBondContact O-N 2.97Å
473	V	92	Very high	90	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-44.2	175.4	178.7	0	0	0	0	111.1	A461 E464 E465 E469 H470 D471 V475 I476 Y477 H499	A461-V473 HydrophobicContact CB-CG1 4.22Å; A461-V473 WeakPolarHBondContact O-CG2 3.44Å; E464-V473 HydrophobicContact CB-CG2 3.66Å; E465-V473 HydrophobicContact CB-CG2 4.23Å; E469-V473 PolarHBondContact O-N 3.15Å; H470-V473 WeakPolarHBondContact O-CB 3.16Å; H470-V473 PolarHBondContact O-N 2.84Å; D471-V473 VanDerWaalsContact C-N 3.32Å; V473-V475 PolarHBondContact O-N 2.8Å; V473-I476 PolarHBondContact O-N 3.49Å; V473-Y477 HydrophobicContact CG1-CD2 3.61Å; V473-Y477 HydrophobicContact CG1-CE2 3.22Å; V473-Y477 VanDerWaalsContact O-CD2 3.28Å; V473-Y477 WeakPolarHBondContact O-CD2 3.43Å; V473-Y477 PolarHBondContact O-N 3.44Å; V473-H499 VanDerWaalsContact CG1-CD2 3.5Å; V473-H499 WeakPolarHBondContact CG1-CD2 3.42Å; V473-H499 WeakPolarHBondContact CG1-NE2 3.5Å
474	R	88.8	Confident	89.6	Confident	56 Å²	56	66 Å²	66	21%	0.211	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-38.9	175.2	-69.1	176	-175.4	122.4	0.3	112.9	H470 D471 R472 R478 E500 Y503	H470-R474 WeakPolarHBondContact O-CG 3.43Å; H470-R474 PolarHBondContact O-N 3.41Å; D471-R474 PolarHBondContact O-N 3.23Å; D471-R474 IonicContact OD1-NH1 3.71Å; D471-R474 PolarHBondContact OD1-NH1 3.44Å; R472-R474 VanDerWaalsContact C-N 3.31Å; R472-R474 PolarHBondContact O-N 3.19Å; R474-R478 WeakPolarHBondContact O-CB 3.25Å; R474-R478 WeakPolarHBondContact O-CG 3.35Å; R474-R478 PolarHBondContact O-N 2.98Å; R474-R478 PolarHBondContact O-NE 3.49Å; R474-E500 WeakPolarHBondContact CG-OE1 3.42Å; R474-E500 IonicContact NE-OE1 2.78Å; R474-E500 PolarHBondContact NE-OE1 3.38Å; R474-E500 VanDerWaalsContact NE-OE1 3.12Å; R474-E500 IonicContact NE-OE2 3.49Å; R474-E500 IonicContact NH2-OE2 3.11Å; R474-Y503 PolarHBondContact NH2-O 3.33Å
475	V	91.5	Very high	89	Confident	82 Å²	82	69.5 Å²	69.5	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-43.4	175.5	174	0	0	0	0	110.7	D471 R472 V473 Y477 R478 Y479	D471-V475 WeakPolarHBondContact O-CG2 3.39Å; D471-V475 PolarHBondContact O-N 3.37Å; R472-V475 PolarHBondContact O-N 3.37Å; R472-V475 VanDerWaalsContact O-N 3.15Å; V473-V475 PolarHBondContact O-N 2.8Å; V475-Y477 PolarHBondContact O-N 3.36Å; V475-R478 PolarHBondContact O-N 2.95Å; V475-Y479 WeakPolarHBondContact O-CB 3.42Å; V475-Y479 PolarHBondContact O-N 3.39Å
476	I	91.7	Very high	88.4	Confident	14 Å²	14	76.7 Å²	76.7	7%	0.072	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-45.9	176.4	-67.1	162.3	0	0	0	110.6	L457 F460 A461 E464 R472 V473 Y479 A480	L457-I476 HydrophobicContact CB-CG2 4.48Å; L457-I476 HydrophobicContact CD2-CG2 4.21Å; F460-I476 HydrophobicContact CD1-CD1 3.46Å; F460-I476 VanDerWaalsContact CD1-CD1 3.46Å; F460-I476 HydrophobicContact CD1-CG1 3.84Å; F460-I476 HydrophobicContact CD1-CG2 4.46Å; F460-I476 HydrophobicContact CD2-CD1 4.24Å; F460-I476 HydrophobicContact CE1-CD1 3.6Å; F460-I476 HydrophobicContact CE1-CG1 3.89Å; F460-I476 HydrophobicContact CE2-CD1 4.35Å; F460-I476 HydrophobicContact CG-CD1 3.81Å; F460-I476 HydrophobicContact CZ-CD1 4.05Å; A461-I476 HydrophobicContact CB-CG2 4.04Å; E464-I476 HydrophobicContact CB-CD1 4.44Å; E464-I476 HydrophobicContact CG-CD1 3.93Å; R472-I476 VanDerWaalsContact O-CG1 3.27Å; R472-I476 WeakPolarHBondContact O-CG1 3.41Å; R472-I476 PolarHBondContact O-N 2.97Å; V473-I476 PolarHBondContact O-N 3.49Å; I476-Y479 PolarHBondContact O-N 2.86Å; I476-A480 WeakPolarHBondContact O-CB 3.23Å; I476-A480 PolarHBondContact O-N 3.04Å
477	Y	89.6	Confident	87.9	Confident	6 Å²	6	78.1 Å²	78.1	2%	0.024	37%	0.367	C	S	.	.	H	α-helix	trans	-66.5	-40	177.6	-72	-47.2	0	0	0	112.7	L458 A461 V473 V475 A480 L481 I492 A495 L496 H499	L458-Y477 HydrophobicContact CD2-CE1 4.2Å; A461-Y477 HydrophobicContact CB-CD1 4.5Å; A461-Y477 HydrophobicContact CB-CE1 3.82Å; A461-Y477 HydrophobicContact CB-CE2 4.3Å; V473-Y477 HydrophobicContact CG1-CD2 3.61Å; V473-Y477 HydrophobicContact CG1-CE2 3.22Å; V473-Y477 VanDerWaalsContact O-CD2 3.28Å; V473-Y477 WeakPolarHBondContact O-CD2 3.43Å; V473-Y477 PolarHBondContact O-N 3.44Å; V475-Y477 PolarHBondContact O-N 3.36Å; Y477-A480 WeakPolarHBondContact O-CB 3.35Å; Y477-A480 PolarHBondContact O-N 3.46Å; Y477-L481 WeakPolarHBondContact O-CG 3.48Å; Y477-L481 PolarHBondContact O-N 2.87Å; Y477-I492 HydrophobicContact CD1-CG2 4.02Å; Y477-A495 HydrophobicContact CE1-CB 3.86Å; Y477-A495 WeakPolarHBondContact OH-CB 3.46Å; Y477-L496 HydrophobicContact CD2-CB 4.23Å; Y477-L496 HydrophobicContact CD2-CD1 3.66Å; Y477-L496 HydrophobicContact CE2-CD1 4.49Å; Y477-L496 HydrophobicContact CG-CB 4.19Å; Y477-L496 HydrophobicContact CG-CD1 3.99Å; Y477-H499 HydrophobicContact CE2-CB 3.81Å
478	R	88	Confident	87.3	Confident	146 Å²	146	81.3 Å²	81.3	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-46.8	173.7	-80.4	-175.8	-77.3	179.9	-4.8	111.9	R474 V475 A480 L481 E482	R474-R478 WeakPolarHBondContact O-CB 3.25Å; R474-R478 WeakPolarHBondContact O-CG 3.35Å; R474-R478 PolarHBondContact O-N 2.98Å; R474-R478 PolarHBondContact O-NE 3.49Å; V475-R478 PolarHBondContact O-N 2.95Å; R478-A480 VanDerWaalsContact C-N 3.25Å; R478-A480 PolarHBondContact O-N 3.3Å; R478-L481 PolarHBondContact O-N 3.31Å; R478-L481 VanDerWaalsContact O-N 3.09Å; R478-E482 PolarHBondContact O-N 2.91Å; R478-E482 VanDerWaalsContact O-N 3.11Å
479	Y	89.4	Confident	87	Confident	63 Å²	63	74.1 Å²	74.1	25%	0.247	35%	0.349	C	S	.	.	H	α-helix	trans	-57.4	-41.5	174.7	-178.7	-97	0	0	0	111.8	V444 L457 V475 I476 E482 H483	V444-Y479 HydrophobicContact CG1-CE1 4.26Å; L457-Y479 HydrophobicContact CD1-CD1 4.45Å; L457-Y479 HydrophobicContact CD2-CD1 4.21Å; V475-Y479 WeakPolarHBondContact O-CB 3.42Å; V475-Y479 PolarHBondContact O-N 3.39Å; I476-Y479 PolarHBondContact O-N 2.86Å; Y479-E482 PolarHBondContact O-N 2.81Å; Y479-H483 AromaticContact CD2-CE1 3.6Å; Y479-H483 AromaticContact CD2-ND1 3.57Å; Y479-H483 AromaticContact CE2-CE1 3.45Å; Y479-H483 VanDerWaalsContact CE2-CE1 3.45Å; Y479-H483 WeakPolarHBondContact CE2-CE1 3.44Å; Y479-H483 AromaticContact CE2-ND1 3.54Å; Y479-H483 AromaticContact CE2-NE2 3.91Å; Y479-H483 AromaticContact CZ-ND1 3.97Å; Y479-H483 PolarHBondContact O-N 2.94Å; Y479-H483 PolarHBondContact O-ND1 3.03Å
480	A	88.5	Confident	86.6	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-40.9	175.8	0	0	0	0	0	112.4	L457 I476 Y477 R478 E482 V484 I492	L457-A480 HydrophobicContact CD1-CB 3.7Å; I476-A480 WeakPolarHBondContact O-CB 3.23Å; I476-A480 PolarHBondContact O-N 3.04Å; Y477-A480 WeakPolarHBondContact O-CB 3.35Å; Y477-A480 PolarHBondContact O-N 3.46Å; R478-A480 VanDerWaalsContact C-N 3.25Å; R478-A480 PolarHBondContact O-N 3.3Å; A480-E482 VanDerWaalsContact C-N 3.32Å; A480-E482 PolarHBondContact O-N 2.85Å; A480-V484 HydrophobicContact CB-CG2 4.41Å; A480-V484 WeakPolarHBondContact O-CB 3.44Å; A480-V484 WeakPolarHBondContact O-CG2 3.48Å; A480-V484 PolarHBondContact O-N 3.38Å; A480-I492 HydrophobicContact CB-CD1 3.79Å; A480-I492 HydrophobicContact CB-CG1 4.35Å; A480-I492 HydrophobicContact CB-CG2 3.79Å
481	L	84.3	Confident	86.5	Confident	67 Å²	67	76 Å²	76	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-33.6	177.7	-69.6	177.4	0	0	0	112.9	Y477 R478 L489 I492 Q493 L496	Y477-L481 WeakPolarHBondContact O-CG 3.48Å; Y477-L481 PolarHBondContact O-N 2.87Å; R478-L481 PolarHBondContact O-N 3.31Å; R478-L481 VanDerWaalsContact O-N 3.09Å; L481-L489 HydrophobicContact CD2-CD2 3.56Å; L481-I492 HydrophobicContact CD2-CG2 4.32Å; L481-Q493 HydrophobicContact CD2-CG 4.12Å; L481-L496 HydrophobicContact CD1-CD2 3.99Å
482	E	86.2	Confident	86.3	Confident	149 Å²	149	70.9 Å²	70.9	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-79.4	-35.4	-178.2	-71.7	172.8	-175.1	0	0	113.2	R478 Y479 A480	R478-E482 PolarHBondContact O-N 2.91Å; R478-E482 VanDerWaalsContact O-N 3.11Å; Y479-E482 PolarHBondContact O-N 2.81Å; A480-E482 VanDerWaalsContact C-N 3.32Å; A480-E482 PolarHBondContact O-N 2.85Å
483	H	86.4	Confident	85.9	Confident	68 Å²	68	70.3 Å²	70.3	32%	0.315	34%	0.337	S	S	.	.	H	α-helix	trans	-109	-19.9	-169.3	-60.3	80.3	0	0	0	114.5	V452 Y479	V452-H483 HydrophobicContact CG2-CB 3.91Å; Y479-H483 AromaticContact CD2-CE1 3.6Å; Y479-H483 AromaticContact CD2-ND1 3.57Å; Y479-H483 AromaticContact CE2-CE1 3.45Å; Y479-H483 VanDerWaalsContact CE2-CE1 3.45Å; Y479-H483 WeakPolarHBondContact CE2-CE1 3.44Å; Y479-H483 AromaticContact CE2-ND1 3.54Å; Y479-H483 AromaticContact CE2-NE2 3.91Å; Y479-H483 AromaticContact CZ-ND1 3.97Å; Y479-H483 PolarHBondContact O-N 2.94Å; Y479-H483 PolarHBondContact O-ND1 3.03Å
484	V	84.6	Confident	85.6	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.042	36%	0.364	C	S	.	.	S	Bend	trans	-83.9	135.1	-179.7	179.2	0	0	0	0	110.2	V452 V454 L457 A480 K488 L489 I492	V452-V484 HydrophobicContact CB-CG2 4.25Å; V452-V484 HydrophobicContact CG1-CG2 3.77Å; V454-V484 HydrophobicContact CG2-CG1 3.61Å; V454-V484 HydrophobicContact CG2-CG2 4.2Å; L457-V484 HydrophobicContact CD1-CG2 4.24Å; A480-V484 HydrophobicContact CB-CG2 4.41Å; A480-V484 WeakPolarHBondContact O-CB 3.44Å; A480-V484 WeakPolarHBondContact O-CG2 3.48Å; A480-V484 PolarHBondContact O-N 3.38Å; V484-K488 HydrophobicContact CG1-CB 3.71Å; V484-L489 HydrophobicContact CB-CD2 4.24Å; V484-L489 HydrophobicContact CB-CG 4.31Å; V484-L489 HydrophobicContact CG1-CG 4.29Å; V484-L489 VanDerWaalsContact O-CD1 3.3Å; V484-L489 WeakPolarHBondContact O-CD1 3.48Å; V484-I492 HydrophobicContact CB-CD1 4.08Å; V484-I492 HydrophobicContact CG1-CD1 4.01Å; V484-I492 HydrophobicContact CG2-CD1 3.79Å
485	P	82.6	Confident	85.5	Confident	74 Å²	74	74.7 Å²	74.7	48%	0.481	36%	0.361	S	S	.	.			trans	-56.6	145.3	174.1	-25.6	34	0	0	0	113.1	D487 K488 L489	P485-D487 PolarHBondContact O-N 3.2Å; P485-K488 PolarHBondContact O-N 3.43Å; P485-L489 PolarHBondContact O-N 3.45Å
486	K	77.8	Confident	85.1	Confident	188 Å²	188	72.1 Å²	72.1	82%	0.817	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-50	-36.7	-178.5	-69.8	-174.7	178.5	-177.5	0	113.9	K488 L489	K486-K488 PolarHBondContact O-N 3.09Å; K486-L489 HydrophobicContact CB-CD1 4.41Å; K486-L489 HydrophobicContact CG-CD1 4.18Å; K486-L489 WeakPolarHBondContact O-CB 3.29Å; K486-L489 PolarHBondContact O-N 3.42Å
487	D	80.4	Confident	84.7	Confident	155 Å²	155	72.8 Å²	72.8	83%	0.829	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-66.4	-23.9	-179.3	-53.6	-25.7	0	0	0	113.5	P485	P485-D487 PolarHBondContact O-N 3.2Å
488	K	80.8	Confident	84.6	Confident	127 Å²	127	77.2 Å²	77.2	55%	0.552	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-106.9	4.9	-178.1	-60.2	-178.2	-178.1	175.8	0	113	V454 V484 P485 K486 P491	V454-K488 HydrophobicContact CG2-CB 4.02Å; V484-K488 HydrophobicContact CG1-CB 3.71Å; P485-K488 PolarHBondContact O-N 3.43Å; K486-K488 PolarHBondContact O-N 3.09Å; K488-P491 WeakPolarHBondContact O-CD 2.99Å; K488-P491 WeakPolarHBondContact O-CG 3.49Å
489	L	82	Confident	84.6	Confident	15 Å²	15	70.4 Å²	70.4	8%	0.079	35%	0.35	C	S	.	.			trans	-79.8	-23.6	-176.8	-86.3	161.6	0	0	0	113.5	L481 V484 P485 K486 I492 Q493	L481-L489 HydrophobicContact CD2-CD2 3.56Å; V484-L489 HydrophobicContact CB-CD2 4.24Å; V484-L489 HydrophobicContact CB-CG 4.31Å; V484-L489 HydrophobicContact CG1-CG 4.29Å; V484-L489 VanDerWaalsContact O-CD1 3.3Å; V484-L489 WeakPolarHBondContact O-CD1 3.48Å; P485-L489 PolarHBondContact O-N 3.45Å; K486-L489 HydrophobicContact CB-CD1 4.41Å; K486-L489 HydrophobicContact CG-CD1 4.18Å; K486-L489 WeakPolarHBondContact O-CB 3.29Å; K486-L489 PolarHBondContact O-N 3.42Å; L489-I492 HydrophobicContact CD2-CD1 4.42Å; L489-I492 WeakPolarHBondContact O-CA 3.21Å; L489-I492 WeakPolarHBondContact O-CB 3.34Å; L489-I492 PolarHBondContact O-N 3.39Å; L489-Q493 WeakPolarHBondContact O-CG 3.28Å; L489-Q493 PolarHBondContact O-N 3.35Å
490	E	83.5	Confident	84.3	Confident	111 Å²	111	67.7 Å²	67.7	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-50.3	-50.2	-179.1	-166.2	-165.4	165	0	0	114.3	I492 Q493 K494	E490-I492 VanDerWaalsContact C-N 3.27Å; E490-I492 PolarHBondContact O-N 2.95Å; E490-Q493 PolarHBondContact O-N 3.21Å; E490-K494 HydrophobicContact CG-CD 4.34Å; E490-K494 WeakPolarHBondContact O-CB 3.31Å; E490-K494 WeakPolarHBondContact O-CG 3.41Å; E490-K494 PolarHBondContact O-N 3.26Å; E490-K494 VanDerWaalsContact OE1-CE 3.28Å; E490-K494 WeakPolarHBondContact OE1-CE 3.42Å; E490-K494 IonicContact OE1-NZ 3.26Å; E490-K494 PolarHBondContact OE1-NZ 2.95Å
491	P	86.6	Confident	84.1	Confident	57 Å²	57	75.4 Å²	75.4	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-30.9	178.3	26.4	-36.9	0	0	0	113	V454 L458 K488 A495	V454-P491 HydrophobicContact CG1-CG 4Å; L458-P491 HydrophobicContact CD1-CB 4.21Å; K488-P491 WeakPolarHBondContact O-CD 2.99Å; K488-P491 WeakPolarHBondContact O-CG 3.49Å; P491-A495 VanDerWaalsContact O-CB 3.3Å; P491-A495 WeakPolarHBondContact O-CB 3.47Å; P491-A495 PolarHBondContact O-N 3.36Å
492	I	86.4	Confident	84.1	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-72.2	-46.7	178	-67.7	161.5	0	0	0	110.1	V454 L458 Y477 A480 L481 V484 L489 E490 K494 A495 L496	V454-I492 HydrophobicContact CB-CD1 4.48Å; V454-I492 HydrophobicContact CG1-CD1 3.79Å; V454-I492 HydrophobicContact CG1-CG1 3.82Å; V454-I492 HydrophobicContact CG2-CD1 4.09Å; L458-I492 HydrophobicContact CD2-CG1 4.31Å; Y477-I492 HydrophobicContact CD1-CG2 4.02Å; A480-I492 HydrophobicContact CB-CD1 3.79Å; A480-I492 HydrophobicContact CB-CG1 4.35Å; A480-I492 HydrophobicContact CB-CG2 3.79Å; L481-I492 HydrophobicContact CD2-CG2 4.32Å; V484-I492 HydrophobicContact CB-CD1 4.08Å; V484-I492 HydrophobicContact CG1-CD1 4.01Å; V484-I492 HydrophobicContact CG2-CD1 3.79Å; L489-I492 HydrophobicContact CD2-CD1 4.42Å; L489-I492 WeakPolarHBondContact O-CA 3.21Å; L489-I492 WeakPolarHBondContact O-CB 3.34Å; L489-I492 PolarHBondContact O-N 3.39Å; E490-I492 VanDerWaalsContact C-N 3.27Å; E490-I492 PolarHBondContact O-N 2.95Å; I492-K494 VanDerWaalsContact C-N 3.33Å; I492-K494 PolarHBondContact O-N 3.19Å; I492-A495 PolarHBondContact O-N 2.99Å; I492-A495 VanDerWaalsContact O-N 3.14Å; I492-L496 WeakPolarHBondContact O-CB 3.36Å; I492-L496 PolarHBondContact O-N 3.26Å
493	Q	83.4	Confident	84	Confident	90 Å²	90	75.5 Å²	75.5	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-42.1	177.3	-71.2	175.3	-23.2	0	0	111.6	L481 L489 E490 A495 L496 A497	L481-Q493 HydrophobicContact CD2-CG 4.12Å; L489-Q493 WeakPolarHBondContact O-CG 3.28Å; L489-Q493 PolarHBondContact O-N 3.35Å; E490-Q493 PolarHBondContact O-N 3.21Å; Q493-A495 VanDerWaalsContact C-N 3.35Å; Q493-A495 PolarHBondContact O-N 3.44Å; Q493-L496 PolarHBondContact O-N 2.92Å; Q493-A497 WeakPolarHBondContact O-CB 3.27Å; Q493-A497 PolarHBondContact O-N 3.23Å
494	K	85	Confident	83.6	Confident	130 Å²	130	73.1 Å²	73.1	57%	0.565	36%	0.36	S	S	*	.	H	α-helix	trans	-60.9	-43.4	173.4	-75.9	174.7	173	172.4	0	111.7	E490 I492 L498	E490-K494 HydrophobicContact CG-CD 4.34Å; E490-K494 WeakPolarHBondContact O-CB 3.31Å; E490-K494 WeakPolarHBondContact O-CG 3.41Å; E490-K494 PolarHBondContact O-N 3.26Å; E490-K494 VanDerWaalsContact OE1-CE 3.28Å; E490-K494 WeakPolarHBondContact OE1-CE 3.42Å; E490-K494 IonicContact OE1-NZ 3.26Å; E490-K494 PolarHBondContact OE1-NZ 2.95Å; I492-K494 VanDerWaalsContact C-N 3.33Å; I492-K494 PolarHBondContact O-N 3.19Å; K494-L498 WeakPolarHBondContact O-CB 3.37Å; K494-L498 PolarHBondContact O-N 3.42Å
495	A	86.1	Confident	83.2	Confident	17 Å²	17	79.8 Å²	79.8	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-68.4	-39.7	178.8	0	0	0	0	0	112.5	L458 Y477 P491 I492 Q493 L498 H499	L458-A495 HydrophobicContact CD2-CB 3.66Å; Y477-A495 HydrophobicContact CE1-CB 3.86Å; Y477-A495 WeakPolarHBondContact OH-CB 3.46Å; P491-A495 VanDerWaalsContact O-CB 3.3Å; P491-A495 WeakPolarHBondContact O-CB 3.47Å; P491-A495 PolarHBondContact O-N 3.36Å; I492-A495 PolarHBondContact O-N 2.99Å; I492-A495 VanDerWaalsContact O-N 3.14Å; Q493-A495 VanDerWaalsContact C-N 3.35Å; Q493-A495 PolarHBondContact O-N 3.44Å; A495-L498 PolarHBondContact O-N 2.75Å; A495-H499 WeakPolarHBondContact O-CB 3.09Å; A495-H499 PolarHBondContact O-N 3.37Å
496	L	84.9	Confident	83	Confident	28 Å²	28	83.6 Å²	83.6	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-62.9	-48.3	173.8	176.3	63.3	0	0	0	111.1	Y477 L481 I492 Q493 L498 H499 E500	Y477-L496 HydrophobicContact CD2-CB 4.23Å; Y477-L496 HydrophobicContact CD2-CD1 3.66Å; Y477-L496 HydrophobicContact CE2-CD1 4.49Å; Y477-L496 HydrophobicContact CG-CB 4.19Å; Y477-L496 HydrophobicContact CG-CD1 3.99Å; L481-L496 HydrophobicContact CD1-CD2 3.99Å; I492-L496 WeakPolarHBondContact O-CB 3.36Å; I492-L496 PolarHBondContact O-N 3.26Å; Q493-L496 PolarHBondContact O-N 2.92Å; L496-L498 VanDerWaalsContact C-N 3.27Å; L496-L498 PolarHBondContact O-N 3.44Å; L496-H499 PolarHBondContact O-N 3.39Å; L496-H499 VanDerWaalsContact O-N 3.11Å; L496-E500 HydrophobicContact CD1-CG 4.03Å; L496-E500 PolarHBondContact O-N 3.04Å
497	A	83.2	Confident	83.1	Confident	29 Å²	29	80.1 Å²	80.1	24%	0.24	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-37.3	177.1	0	0	0	0	0	112.3	Q493 K501 V512	Q493-A497 WeakPolarHBondContact O-CB 3.27Å; Q493-A497 PolarHBondContact O-N 3.23Å; A497-K501 WeakPolarHBondContact O-CB 3.45Å; A497-K501 PolarHBondContact O-N 2.86Å; A497-V512 HydrophobicContact CB-CG1 3.71Å
498	L	86.6	Confident	82.7	Confident	99 Å²	99	74.7 Å²	74.7	52%	0.518	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-39.6	174.4	-171.9	69.4	0	0	0	112	K494 A495 L496 K502	K494-L498 WeakPolarHBondContact O-CB 3.37Å; K494-L498 PolarHBondContact O-N 3.42Å; A495-L498 PolarHBondContact O-N 2.75Å; L496-L498 VanDerWaalsContact C-N 3.27Å; L496-L498 PolarHBondContact O-N 3.44Å; L498-K502 WeakPolarHBondContact O-CG 3.35Å; L498-K502 PolarHBondContact O-N 2.9Å
499	H	87.1	Confident	82.4	Confident	3 Å²	3	70.7 Å²	70.7	1%	0.014	35%	0.348	C	S	.	.	H	α-helix	trans	-65.3	-50.2	177.3	179.1	-93.7	0	0	0	111.5	H470 V473 Y477 A495 L496 K501 K502 Y503	H470-H499 AromaticContact ND1-NE2 3.31Å; H470-H499 PolarHBondContact ND1-NE2 3.38Å; V473-H499 VanDerWaalsContact CG1-CD2 3.5Å; V473-H499 WeakPolarHBondContact CG1-CD2 3.42Å; V473-H499 WeakPolarHBondContact CG1-NE2 3.5Å; Y477-H499 HydrophobicContact CE2-CB 3.81Å; A495-H499 WeakPolarHBondContact O-CB 3.09Å; A495-H499 PolarHBondContact O-N 3.37Å; L496-H499 PolarHBondContact O-N 3.39Å; L496-H499 VanDerWaalsContact O-N 3.11Å; H499-K501 VanDerWaalsContact C-N 3.31Å; H499-K501 PolarHBondContact O-N 2.95Å; H499-K502 PolarHBondContact O-N 3.18Å; H499-Y503 AromaticContact CD2-CD2 3.78Å; H499-Y503 AromaticContact NE2-CD2 3.82Å; H499-Y503 PolarHBondContact O-N 3.47Å
500	E	84.6	Confident	82.2	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.028	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-35.2	177.1	-66.9	-54.8	146.1	0	0	111.4	R474 L496 K502 G504 S508 I509 V512	R474-E500 WeakPolarHBondContact CG-OE1 3.42Å; R474-E500 IonicContact NE-OE1 2.78Å; R474-E500 PolarHBondContact NE-OE1 3.38Å; R474-E500 VanDerWaalsContact NE-OE1 3.12Å; R474-E500 IonicContact NE-OE2 3.49Å; R474-E500 IonicContact NH2-OE2 3.11Å; L496-E500 HydrophobicContact CD1-CG 4.03Å; L496-E500 PolarHBondContact O-N 3.04Å; E500-K502 PolarHBondContact O-N 2.68Å; E500-G504 WeakPolarHBondContact O-CA 3.34Å; E500-G504 PolarHBondContact O-N 3.5Å; E500-G504 WeakPolarHBondContact OE2-CA 3.25Å; E500-S508 PolarHBondContact OE2-OG 3.11Å; E500-I509 WeakPolarHBondContact O-CD1 3.47Å; E500-I509 WeakPolarHBondContact O-CG1 3.43Å; E500-V512 HydrophobicContact CG-CG2 4.29Å
501	K	84.1	Confident	82	Confident	163 Å²	163	73.8 Å²	73.8	71%	0.709	37%	0.365	S	S	*	.	H	α-helix	trans	-62.3	-30.5	173	-173.5	176.6	179.6	-176.7	0	113.1	A497 H499	A497-K501 WeakPolarHBondContact O-CB 3.45Å; A497-K501 PolarHBondContact O-N 2.86Å; H499-K501 VanDerWaalsContact C-N 3.31Å; H499-K501 PolarHBondContact O-N 2.95Å
502	K	84.7	Confident	81.4	Confident	117 Å²	117	72.8 Å²	72.8	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-86.7	-40.4	-179.4	-73.3	179	-177.9	-176.4	0	113.4	E465 L498 H499 E500	E465-K502 IonicContact OE1-NZ 3.37Å; E465-K502 PolarHBondContact OE1-NZ 2.99Å; L498-K502 WeakPolarHBondContact O-CG 3.35Å; L498-K502 PolarHBondContact O-N 2.9Å; H499-K502 PolarHBondContact O-N 3.18Å; E500-K502 PolarHBondContact O-N 2.68Å
503	Y	83.5	Confident	81.1	Confident	101 Å²	101	76 Å²	76	40%	0.396	37%	0.374	S	S	.	.	H	α-helix	trans	-132.5	2.8	-168.2	-51.8	-72.8	0	0	0	114	E465 H470 R474 H499	E465-Y503 HydrophobicContact CG-CE2 3.84Å; E465-Y503 WeakPolarHBondContact OE1-CE2 3.47Å; H470-Y503 AromaticContact CE1-CD1 3.37Å; H470-Y503 WeakPolarHBondContact CE1-CD1 3.35Å; H470-Y503 AromaticContact CE1-CD2 3.49Å; H470-Y503 VanDerWaalsContact CE1-CD2 3.49Å; H470-Y503 WeakPolarHBondContact CE1-CD2 3.47Å; H470-Y503 AromaticContact CE1-CE1 3.53Å; H470-Y503 AromaticContact CE1-CE2 3.63Å; H470-Y503 AromaticContact CE1-CG 3.34Å; H470-Y503 AromaticContact CE1-CZ 3.65Å; H470-Y503 AromaticContact ND1-CD2 3.54Å; H470-Y503 AromaticContact ND1-CG 3.52Å; H470-Y503 AromaticContact NE2-CD1 3.71Å; H470-Y503 AromaticContact NE2-CE1 3.96Å; R474-Y503 PolarHBondContact NH2-O 3.33Å; H499-Y503 AromaticContact CD2-CD2 3.78Å; H499-Y503 AromaticContact NE2-CD2 3.82Å; H499-Y503 PolarHBondContact O-N 3.47Å
504	G	77.2	Confident	81.1	Confident	18 Å²	18	72.8 Å²	72.8	19%	0.186	36%	0.36	C	S	.	.			trans	-79.3	154	-178.8	0	0	0	0	0	112.9	E500 I509	E500-G504 WeakPolarHBondContact O-CA 3.34Å; E500-G504 PolarHBondContact O-N 3.5Å; E500-G504 WeakPolarHBondContact OE2-CA 3.25Å; G504-I509 WeakPolarHBondContact O-CD1 3.37Å
505	E	77.5	Confident	80.9	Confident	147 Å²	147	69.7 Å²	69.7	69%	0.687	36%	0.355	S	S	*	.			trans	-73.7	152.8	166.9	-64.2	180	176.2	0	0	109.7	I507 S508 I509	E505-I507 PolarHBondContact O-N 3.32Å; E505-I507 VanDerWaalsContact O-N 3.11Å; E505-S508 WeakPolarHBondContact O-CB 3.2Å; E505-S508 PolarHBondContact O-N 3.05Å; E505-I509 PolarHBondContact O-N 3.47Å
506	K	78.1	Confident	80.6	Confident	154 Å²	154	75.7 Å²	75.7	67%	0.67	38%	0.378	S	S	*	.	H	α-helix	trans	-50	-42.9	-175.6	-176.5	178.5	171.8	-175.3	0	113.1	I509 E510	K506-I509 PolarHBondContact O-N 2.87Å; K506-E510 WeakPolarHBondContact CE-OE1 3.38Å; K506-E510 IonicContact NZ-OE1 3.86Å; K506-E510 WeakPolarHBondContact O-CG 3.44Å; K506-E510 PolarHBondContact O-N 3.27Å
507	I	78.9	Confident	80.6	Confident	114 Å²	114	80.2 Å²	80.2	59%	0.585	39%	0.393	S	S	*	.	H	α-helix	trans	-65.5	-41.7	180	-60.8	166.6	0	0	0	111.2	E505 I509 E510 N511	E505-I507 PolarHBondContact O-N 3.32Å; E505-I507 VanDerWaalsContact O-N 3.11Å; I507-I509 VanDerWaalsContact C-N 3.34Å; I507-E510 PolarHBondContact O-N 3.34Å; I507-N511 VanDerWaalsContact O-CG 3.25Å; I507-N511 PolarHBondContact O-N 3.13Å; I507-N511 PolarHBondContact O-ND2 3.08Å
508	S	72.5	Confident	80.7	Confident	41 Å²	41	82.6 Å²	82.6	29%	0.287	40%	0.398	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.9	-170.6	0	0	0	0	111.3	E500 E505 N511 V512	E500-S508 PolarHBondContact OE2-OG 3.11Å; E505-S508 WeakPolarHBondContact O-CB 3.2Å; E505-S508 PolarHBondContact O-N 3.05Å; S508-N511 PolarHBondContact O-N 3.3Å; S508-V512 WeakPolarHBondContact O-CG2 3.49Å; S508-V512 PolarHBondContact O-N 2.95Å; S508-V512 VanDerWaalsContact O-N 3.08Å
509	I	74.8	Confident	80.6	Confident	44 Å²	44	81.3 Å²	81.3	23%	0.226	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-46.9	174.6	-66.1	161.2	0	0	0	110.7	E500 G504 E505 K506 I507 V512 I513	E500-I509 WeakPolarHBondContact O-CD1 3.47Å; E500-I509 WeakPolarHBondContact O-CG1 3.43Å; G504-I509 WeakPolarHBondContact O-CD1 3.37Å; E505-I509 PolarHBondContact O-N 3.47Å; K506-I509 PolarHBondContact O-N 2.87Å; I507-I509 VanDerWaalsContact C-N 3.34Å; I509-V512 PolarHBondContact O-N 2.91Å; I509-I513 HydrophobicContact CG2-CD1 3.49Å; I509-I513 VanDerWaalsContact CG2-CD1 3.49Å; I509-I513 HydrophobicContact CG2-CG1 4.19Å; I509-I513 WeakPolarHBondContact O-CB 3.43Å; I509-I513 WeakPolarHBondContact O-CG1 3.41Å; I509-I513 PolarHBondContact O-N 2.9Å
510	E	78.2	Confident	80.6	Confident	91 Å²	91	84.9 Å²	84.9	43%	0.425	41%	0.409	S	S	.	.	H	α-helix	trans	-58.1	-50.4	177.8	-77.8	172.6	178.7	0	0	110.8	K506 I507 V512 I513 V514	K506-E510 WeakPolarHBondContact CE-OE1 3.38Å; K506-E510 IonicContact NZ-OE1 3.86Å; K506-E510 WeakPolarHBondContact O-CG 3.44Å; K506-E510 PolarHBondContact O-N 3.27Å; I507-E510 PolarHBondContact O-N 3.34Å; E510-V512 VanDerWaalsContact C-N 3.33Å; E510-V512 PolarHBondContact O-N 2.67Å; E510-I513 PolarHBondContact O-N 3.23Å; E510-I513 VanDerWaalsContact O-N 3.13Å; E510-V514 VanDerWaalsContact O-CG2 3.3Å; E510-V514 WeakPolarHBondContact O-CG2 3.48Å; E510-V514 PolarHBondContact O-N 3.16Å
511	N	78.1	Confident	80.8	Confident	100 Å²	100	86.3 Å²	86.3	54%	0.535	42%	0.415	S	S	.	.	H	α-helix	trans	-58	-42.5	178.6	-69.2	-14.2	0	0	0	112.9	I507 S508 V514 S515	I507-N511 VanDerWaalsContact O-CG 3.25Å; I507-N511 PolarHBondContact O-N 3.13Å; I507-N511 PolarHBondContact O-ND2 3.08Å; S508-N511 PolarHBondContact O-N 3.3Å; N511-V514 PolarHBondContact O-N 3.2Å; N511-S515 WeakPolarHBondContact O-CB 3.49Å; N511-S515 PolarHBondContact O-N 3.1Å
512	V	75.1	Confident	80.9	Confident	35 Å²	35	80.3 Å²	80.3	21%	0.212	39%	0.389	C	S	.	.	H	α-helix	trans	-69.1	-39.3	178.1	174.8	0	0	0	0	111.6	A497 E500 S508 I509 E510 K516	A497-V512 HydrophobicContact CB-CG1 3.71Å; E500-V512 HydrophobicContact CG-CG2 4.29Å; S508-V512 WeakPolarHBondContact O-CG2 3.49Å; S508-V512 PolarHBondContact O-N 2.95Å; S508-V512 VanDerWaalsContact O-N 3.08Å; I509-V512 PolarHBondContact O-N 2.91Å; E510-V512 VanDerWaalsContact C-N 3.33Å; E510-V512 PolarHBondContact O-N 2.67Å; V512-K516 WeakPolarHBondContact O-CB 3.33Å; V512-K516 PolarHBondContact O-N 3.45Å
513	I	80.5	Confident	81.1	Confident	68 Å²	68	80.9 Å²	80.9	35%	0.349	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-44.3	176.6	-71.7	170.9	0	0	0	110.4	I509 E510 K516 R517	I509-I513 HydrophobicContact CG2-CD1 3.49Å; I509-I513 VanDerWaalsContact CG2-CD1 3.49Å; I509-I513 HydrophobicContact CG2-CG1 4.19Å; I509-I513 WeakPolarHBondContact O-CB 3.43Å; I509-I513 WeakPolarHBondContact O-CG1 3.41Å; I509-I513 PolarHBondContact O-N 2.9Å; E510-I513 PolarHBondContact O-N 3.23Å; E510-I513 VanDerWaalsContact O-N 3.13Å; I513-K516 PolarHBondContact O-N 3.03Å; I513-R517 HydrophobicContact CG2-CG 4.29Å; I513-R517 WeakPolarHBondContact O-CB 3.44Å; I513-R517 WeakPolarHBondContact O-CG 3.39Å; I513-R517 PolarHBondContact O-N 3.47Å
514	V	82.5	Confident	81.4	Confident	23 Å²	23	79.9 Å²	79.9	14%	0.139	39%	0.393	C	S	.	.	H	α-helix	trans	-68.8	-43.2	-177.6	-172.3	0	0	0	0	111.2	E510 N511 K516 R517 K518 L541 E545	E510-V514 VanDerWaalsContact O-CG2 3.3Å; E510-V514 WeakPolarHBondContact O-CG2 3.48Å; E510-V514 PolarHBondContact O-N 3.16Å; N511-V514 PolarHBondContact O-N 3.2Å; V514-K516 VanDerWaalsContact C-N 3.29Å; V514-K516 PolarHBondContact O-N 2.89Å; V514-R517 PolarHBondContact O-N 2.6Å; V514-R517 VanDerWaalsContact O-N 3.08Å; V514-K518 WeakPolarHBondContact O-CB 3.38Å; V514-K518 PolarHBondContact O-N 2.96Å; V514-L541 HydrophobicContact CG1-CD1 3.76Å; V514-L541 HydrophobicContact CG1-CD2 3.91Å; V514-L541 HydrophobicContact CG1-CG 3.82Å; V514-E545 VanDerWaalsContact CB-OE1 3.26Å; V514-E545 WeakPolarHBondContact CB-OE1 3.27Å; V514-E545 HydrophobicContact CG1-CG 3.68Å; V514-E545 WeakPolarHBondContact CG1-OE1 3.28Å
515	S	80.1	Confident	82	Confident	65 Å²	65	79.3 Å²	79.3	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-55.4	-43.8	172.1	174.8	0	0	0	0	112	N511 K518 D519	N511-S515 WeakPolarHBondContact O-CB 3.49Å; N511-S515 PolarHBondContact O-N 3.1Å; S515-K518 WeakPolarHBondContact O-CB 3.23Å; S515-K518 PolarHBondContact O-N 3.47Å; S515-D519 PolarHBondContact O-N 3Å; S515-D519 VanDerWaalsContact O-N 3.14Å
516	K	80	Confident	82.6	Confident	143 Å²	143	78.5 Å²	78.5	62%	0.622	38%	0.382	S	S	*	.	H	α-helix	trans	-65	-40.2	176.2	-176.5	-178.9	177.6	-176.1	0	112.7	V512 I513 V514 M520	V512-K516 WeakPolarHBondContact O-CB 3.33Å; V512-K516 PolarHBondContact O-N 3.45Å; I513-K516 PolarHBondContact O-N 3.03Å; V514-K516 VanDerWaalsContact C-N 3.29Å; V514-K516 PolarHBondContact O-N 2.89Å; K516-M520 WeakPolarHBondContact O-CB 3.37Å; K516-M520 PolarHBondContact O-N 2.8Å
517	R	85.3	Confident	83.2	Confident	124 Å²	124	75.3 Å²	75.3	47%	0.468	38%	0.384	S	S	.	.	H	α-helix	trans	-67.2	-39.2	177.8	-76.3	177.6	177.6	175.6	0.2	111.4	I513 V514 M520 Y521 L541	I513-R517 HydrophobicContact CG2-CG 4.29Å; I513-R517 WeakPolarHBondContact O-CB 3.44Å; I513-R517 WeakPolarHBondContact O-CG 3.39Å; I513-R517 PolarHBondContact O-N 3.47Å; V514-R517 PolarHBondContact O-N 2.6Å; V514-R517 VanDerWaalsContact O-N 3.08Å; R517-M520 WeakPolarHBondContact O-CB 3.46Å; R517-M520 PolarHBondContact O-N 3.05Å; R517-Y521 HydrophobicContact CB-CD2 4.43Å; R517-Y521 HydrophobicContact CB-CE2 4.14Å; R517-Y521 WeakPolarHBondContact O-CD2 3.5Å; R517-Y521 PolarHBondContact O-N 3.32Å; R517-L541 HydrophobicContact CB-CD2 3.8Å
518	K	86.3	Confident	83.6	Confident	78 Å²	78	73.6 Å²	73.6	34%	0.339	38%	0.376	S	S	.	.	H	α-helix	trans	-57.4	-50.9	174.6	-176.4	172.3	-173.9	169.2	0	111.1	V514 S515 M520 Y521 E522 Y538 L541	V514-K518 WeakPolarHBondContact O-CB 3.38Å; V514-K518 PolarHBondContact O-N 2.96Å; S515-K518 WeakPolarHBondContact O-CB 3.23Å; S515-K518 PolarHBondContact O-N 3.47Å; K518-M520 VanDerWaalsContact C-N 3.31Å; K518-M520 PolarHBondContact O-N 3.16Å; K518-Y521 PolarHBondContact O-N 3.41Å; K518-E522 WeakPolarHBondContact O-CB 3.47Å; K518-E522 PolarHBondContact O-N 3.27Å; K518-Y538 HydrophobicContact CG-CE2 4.08Å; K518-L541 HydrophobicContact CB-CD2 4.35Å
519	D	83	Confident	84.4	Confident	73 Å²	73	73.6 Å²	73.6	39%	0.39	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-39.7	177.1	-68.3	-18.4	0	0	0	112	S515 E522 Q523	S515-D519 PolarHBondContact O-N 3Å; S515-D519 VanDerWaalsContact O-N 3.14Å; D519-E522 PolarHBondContact O-N 3.47Å; D519-Q523 WeakPolarHBondContact O-CB 3.36Å; D519-Q523 VanDerWaalsContact O-CG 3.26Å; D519-Q523 WeakPolarHBondContact O-CG 3.48Å; D519-Q523 PolarHBondContact O-N 3.49Å
520	M	87	Confident	84.9	Confident	77 Å²	77	76 Å²	76	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-47.5	177.3	-178.3	-169.1	73.8	0	0	112	K516 R517 K518 Q523 Q524	K516-M520 WeakPolarHBondContact O-CB 3.37Å; K516-M520 PolarHBondContact O-N 2.8Å; R517-M520 WeakPolarHBondContact O-CB 3.46Å; R517-M520 PolarHBondContact O-N 3.05Å; K518-M520 VanDerWaalsContact C-N 3.31Å; K518-M520 PolarHBondContact O-N 3.16Å; M520-Q523 PolarHBondContact O-N 2.83Å; M520-Q524 WeakPolarHBondContact O-CG 3.28Å; M520-Q524 PolarHBondContact O-N 3.04Å
521	Y	89.4	Confident	85.4	Confident	36 Å²	36	74.6 Å²	74.6	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-66.6	-38.9	178.2	-67.9	-47.7	0	0	0	111.6	R517 K518 Q523 Q524 V525 D537 Y538 L541	R517-Y521 HydrophobicContact CB-CD2 4.43Å; R517-Y521 HydrophobicContact CB-CE2 4.14Å; R517-Y521 WeakPolarHBondContact O-CD2 3.5Å; R517-Y521 PolarHBondContact O-N 3.32Å; K518-Y521 PolarHBondContact O-N 3.41Å; Y521-Q523 VanDerWaalsContact C-N 3.34Å; Y521-Q523 PolarHBondContact O-N 3.3Å; Y521-Q524 PolarHBondContact O-N 2.99Å; Y521-V525 WeakPolarHBondContact O-CB 3.41Å; Y521-V525 VanDerWaalsContact O-CG2 3.28Å; Y521-V525 WeakPolarHBondContact O-CG2 3.49Å; Y521-V525 PolarHBondContact O-N 3.37Å; Y521-D537 HydrophobicContact CD1-CB 4.41Å; Y521-D537 HydrophobicContact CE1-CB 3.77Å; Y521-D537 HydrophobicContact CE2-CB 4.47Å; Y521-Y538 HydrophobicContact CD2-CD2 4.46Å; Y521-L541 HydrophobicContact CD2-CD2 3.78Å; Y521-L541 HydrophobicContact CE2-CB 4.32Å; Y521-L541 HydrophobicContact CE2-CD2 3.87Å
522	E	87	Confident	85.9	Confident	37 Å²	37	70.9 Å²	70.9	17%	0.173	36%	0.358	C	S	.	.	H	α-helix	trans	-60.8	-42.6	174.3	-174.4	64	-141.3	0	0	111.3	K518 D519 V525 Q526 Y538 R558	K518-E522 WeakPolarHBondContact O-CB 3.47Å; K518-E522 PolarHBondContact O-N 3.27Å; D519-E522 PolarHBondContact O-N 3.47Å; E522-V525 PolarHBondContact O-N 3.06Å; E522-Q526 WeakPolarHBondContact O-CB 3.37Å; E522-Q526 VanDerWaalsContact O-CG 3.24Å; E522-Q526 WeakPolarHBondContact O-CG 3.45Å; E522-Q526 PolarHBondContact O-N 2.94Å; E522-Q526 PolarHBondContact OE1-NE2 2.93Å; E522-Q526 VanDerWaalsContact OE1-NE2 3.1Å; E522-Y538 WeakPolarHBondContact OE2-CE1 3.35Å; E522-Y538 PolarHBondContact OE2-OH 3.25Å; E522-R558 IonicContact OE1-CZ 2.78Å; E522-R558 IonicContact OE1-NH1 2.73Å; E522-R558 PolarHBondContact OE1-NH1 3.33Å; E522-R558 IonicContact OE1-NH2 2.63Å; E522-R558 PolarHBondContact OE1-NH2 2.91Å; E522-R558 IonicContact OE2-CZ 3.14Å; E522-R558 IonicContact OE2-NH1 3.56Å; E522-R558 PolarHBondContact OE2-NH1 3.49Å; E522-R558 IonicContact OE2-NH2 3.72Å; E522-R558 PolarHBondContact OE2-NH2 3.04Å
523	Q	88.6	Confident	86.7	Confident	130 Å²	130	72.7 Å²	72.7	61%	0.607	37%	0.367	S	S	*	.	H	α-helix	trans	-64.7	-41.5	173.4	-73.5	173.3	14.7	0	0	112.8	D519 M520 Y521 Q526 A527	D519-Q523 WeakPolarHBondContact O-CB 3.36Å; D519-Q523 VanDerWaalsContact O-CG 3.26Å; D519-Q523 WeakPolarHBondContact O-CG 3.48Å; D519-Q523 PolarHBondContact O-N 3.49Å; M520-Q523 PolarHBondContact O-N 2.83Å; Y521-Q523 VanDerWaalsContact C-N 3.34Å; Y521-Q523 PolarHBondContact O-N 3.3Å; Q523-Q526 PolarHBondContact O-N 3.02Å; Q523-A527 WeakPolarHBondContact O-CB 3.43Å; Q523-A527 PolarHBondContact O-N 3.3Å
524	Q	89.7	Confident	87.1	Confident	79 Å²	79	69.6 Å²	69.6	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-43.1	177.7	-75.4	176.4	4.6	0	0	111.7	M520 Y521 Q526 A527 D528 A534	M520-Q524 WeakPolarHBondContact O-CG 3.28Å; M520-Q524 PolarHBondContact O-N 3.04Å; Y521-Q524 PolarHBondContact O-N 2.99Å; Q524-Q526 VanDerWaalsContact C-N 3.35Å; Q524-A527 PolarHBondContact O-N 2.93Å; Q524-D528 PolarHBondContact O-N 3.4Å; Q524-A534 HydrophobicContact CB-CB 4.43Å
525	V	90.2	Very high	87.7	Confident	6 Å²	6	68.7 Å²	68.7	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-38.8	176.7	164.2	0	0	0	0	111.6	Y521 E522 D528 P529 A534 W535 Y538	Y521-V525 WeakPolarHBondContact O-CB 3.41Å; Y521-V525 VanDerWaalsContact O-CG2 3.28Å; Y521-V525 WeakPolarHBondContact O-CG2 3.49Å; Y521-V525 PolarHBondContact O-N 3.37Å; E522-V525 PolarHBondContact O-N 3.06Å; V525-D528 CarbonylContact O-C 3.59Å; V525-P529 WeakPolarHBondContact O-CA 3.27Å; V525-A534 HydrophobicContact CG2-CB 4.42Å; V525-W535 HydrophobicContact CB-CZ2 4.38Å; V525-W535 HydrophobicContact CG1-CD2 4.24Å; V525-W535 HydrophobicContact CG1-CE3 4.29Å; V525-W535 HydrophobicContact CG1-CH2 3.26Å; V525-W535 HydrophobicContact CG1-CZ2 3.17Å; V525-W535 HydrophobicContact CG1-CZ3 3.84Å; V525-W535 HydrophobicContact CG2-CD2 3.96Å; V525-W535 HydrophobicContact CG2-CE3 4.12Å; V525-W535 HydrophobicContact CG2-CG 4.45Å; V525-W535 HydrophobicContact CG2-CZ2 4.39Å; V525-W535 HydrophobicContact CG2-CZ3 4.4Å; V525-Y538 HydrophobicContact CG2-CD1 4.46Å
526	Q	89.5	Confident	88.2	Confident	130 Å²	130	66.7 Å²	66.7	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-68.4	-34.8	174.7	-73.7	175	15	0	0	112.4	E522 Q523 Q524	E522-Q526 WeakPolarHBondContact O-CB 3.37Å; E522-Q526 VanDerWaalsContact O-CG 3.24Å; E522-Q526 WeakPolarHBondContact O-CG 3.45Å; E522-Q526 PolarHBondContact O-N 2.94Å; E522-Q526 PolarHBondContact OE1-NE2 2.93Å; E522-Q526 VanDerWaalsContact OE1-NE2 3.1Å; Q523-Q526 PolarHBondContact O-N 3.02Å; Q524-Q526 VanDerWaalsContact C-N 3.35Å
527	A	90.1	Very high	88.7	Confident	87 Å²	87	62.9 Å²	62.9	72%	0.719	32%	0.315	S	S	*	.	H	α-helix	trans	-72.7	-44.9	178.5	0	0	0	0	0	112.7	Q523 Q524	Q523-A527 WeakPolarHBondContact O-CB 3.43Å; Q523-A527 PolarHBondContact O-N 3.3Å; Q524-A527 PolarHBondContact O-N 2.93Å
528	D	88.1	Confident	88.9	Confident	78 Å²	78	57.3 Å²	57.3	42%	0.417	29%	0.294	S	S	.	.			trans	-136.7	94.6	175.3	-175.1	7.7	0	0	0	111.7	Q524 V525 F530 N531	Q524-D528 PolarHBondContact O-N 3.4Å; V525-D528 CarbonylContact O-C 3.59Å; D528-F530 PolarHBondContact O-N 3.38Å; D528-F530 PolarHBondContact OD1-N 3.47Å; D528-F530 VanDerWaalsContact OD1-N 3.12Å; D528-N531 HydrophobicContact CB-CB 4.37Å; D528-N531 PolarHBondContact O-N 3.5Å
529	P	88.9	Confident	89.1	Confident	41 Å²	41	53.8 Å²	53.8	27%	0.266	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.5	179.6	-24.9	34.8	0	0	0	114.6	V525 W535 Q562	V525-P529 WeakPolarHBondContact O-CA 3.27Å; P529-W535 PolarHBondContact O-NE1 3.19Å; P529-Q562 HydrophobicContact CB-CG 4.03Å
530	F	85.8	Confident	89.4	Confident	95 Å²	95	58 Å²	58	42%	0.417	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2	-177.2	-60.9	-71.6	0	0	0	113.5	D528 Y532	D528-F530 PolarHBondContact O-N 3.38Å; D528-F530 PolarHBondContact OD1-N 3.47Å; D528-F530 VanDerWaalsContact OD1-N 3.12Å; F530-Y532 WeakPolarHBondContact O-CD2 3.33Å; F530-Y532 PolarHBondContact O-N 3.01Å
531	N	88.6	Confident	89.4	Confident	61 Å²	61	55 Å²	55	33%	0.326	27%	0.274	S	S	.	.			trans	-77.9	86.7	174	-175.9	3.4	0	0	0	111.1	D528 D533 A534 W535	D528-N531 HydrophobicContact CB-CB 4.37Å; D528-N531 PolarHBondContact O-N 3.5Å; N531-D533 PolarHBondContact O-N 3.44Å; N531-D533 PolarHBondContact OD1-N 3.35Å; N531-A534 HydrophobicContact CB-CB 4.33Å; N531-A534 PolarHBondContact O-N 2.97Å; N531-A534 PolarHBondContact OD1-N 3.17Å; N531-W535 VanDerWaalsContact O-CD1 3.28Å; N531-W535 PolarHBondContact O-N 3.38Å
532	Y	88.9	Confident	89.3	Confident	22 Å²	22	53.2 Å²	53.2	9%	0.086	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-24.6	179.9	-53.6	-59.2	0	0	0	114.3	F530 W535 F536 Q562 P564 R574 Y575 L578	F530-Y532 WeakPolarHBondContact O-CD2 3.33Å; F530-Y532 PolarHBondContact O-N 3.01Å; Y532-W535 WeakPolarHBondContact O-CB 3.46Å; Y532-W535 PolarHBondContact O-N 3.47Å; Y532-F536 WeakPolarHBondContact O-CD2 3.36Å; Y532-F536 WeakPolarHBondContact O-CG 3.27Å; Y532-F536 PolarHBondContact O-N 3.05Å; Y532-Q562 PolarHBondContact OH-O 3.4Å; Y532-P564 HydrophobicContact CE2-CG 4.47Å; Y532-P564 WeakPolarHBondContact OH-CA 3.18Å; Y532-P564 WeakPolarHBondContact OH-CD 3.14Å; Y532-P564 VanDerWaalsContact OH-CG 3.25Å; Y532-P564 WeakPolarHBondContact OH-CG 3.41Å; Y532-R574 HydrophobicContact CD2-CB 3.94Å; Y532-R574 HydrophobicContact CG-CB 4.38Å; Y532-Y575 HydrophobicContact CD1-CD2 4.22Å; Y532-Y575 AromaticContact CE1-CD2 3.55Å; Y532-Y575 HydrophobicContact CE1-CD2 3.55Å; Y532-Y575 HydrophobicContact CE1-CE2 4.44Å; Y532-Y575 HydrophobicContact CE1-CG 4.32Å; Y532-Y575 AromaticContact CZ-CD2 3.94Å; Y532-L578 HydrophobicContact CD1-CD1 3.49Å; Y532-L578 VanDerWaalsContact CD1-CD1 3.49Å; Y532-L578 HydrophobicContact CE1-CD1 4.24Å; Y532-L578 HydrophobicContact CG-CD1 4.22Å
533	D	90.5	Very high	89.2	Confident	74 Å²	74	54.8 Å²	54.8	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-70.9	-37	178	-65.3	-41	0	0	0	111.2	N531 W535 F536 D537 R574	N531-D533 PolarHBondContact O-N 3.44Å; N531-D533 PolarHBondContact OD1-N 3.35Å; D533-W535 VanDerWaalsContact C-N 3.31Å; D533-W535 PolarHBondContact O-N 2.98Å; D533-F536 PolarHBondContact O-N 3.42Å; D533-D537 PolarHBondContact O-N 2.87Å; D533-R574 IonicContact OD1-CZ 2.95Å; D533-R574 IonicContact OD1-NE 2.73Å; D533-R574 IonicContact OD1-NH1 3.89Å; D533-R574 PolarHBondContact OD1-NH1 3.07Å; D533-R574 IonicContact OD1-NH2 3.4Å
534	A	90.4	Very high	88.9	Confident	3 Å²	3	52.6 Å²	52.6	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-37.8	171.7	0	0	0	0	0	112.1	Q524 V525 N531 D537 Y538	Q524-A534 HydrophobicContact CB-CB 4.43Å; V525-A534 HydrophobicContact CG2-CB 4.42Å; N531-A534 HydrophobicContact CB-CB 4.33Å; N531-A534 PolarHBondContact O-N 2.97Å; N531-A534 PolarHBondContact OD1-N 3.17Å; A534-D537 PolarHBondContact O-N 2.66Å; A534-Y538 WeakPolarHBondContact O-CB 3.45Å; A534-Y538 PolarHBondContact O-N 3.28Å
535	W	93.3	Very high	88.2	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-42.1	173.3	-71.2	106.1	0	0	0	112.4	V525 P529 N531 Y532 D533 D537 Y538 L539 I555 R558 A559 Q562 L578	V525-W535 HydrophobicContact CB-CZ2 4.38Å; V525-W535 HydrophobicContact CG1-CD2 4.24Å; V525-W535 HydrophobicContact CG1-CE3 4.29Å; V525-W535 HydrophobicContact CG1-CH2 3.26Å; V525-W535 HydrophobicContact CG1-CZ2 3.17Å; V525-W535 HydrophobicContact CG1-CZ3 3.84Å; V525-W535 HydrophobicContact CG2-CD2 3.96Å; V525-W535 HydrophobicContact CG2-CE3 4.12Å; V525-W535 HydrophobicContact CG2-CG 4.45Å; V525-W535 HydrophobicContact CG2-CZ2 4.39Å; V525-W535 HydrophobicContact CG2-CZ3 4.4Å; P529-W535 PolarHBondContact O-NE1 3.19Å; N531-W535 VanDerWaalsContact O-CD1 3.28Å; N531-W535 PolarHBondContact O-N 3.38Å; Y532-W535 WeakPolarHBondContact O-CB 3.46Å; Y532-W535 PolarHBondContact O-N 3.47Å; D533-W535 VanDerWaalsContact C-N 3.31Å; D533-W535 PolarHBondContact O-N 2.98Å; W535-D537 PolarHBondContact O-N 3.11Å; W535-Y538 HydrophobicContact CE3-CD1 4.44Å; W535-Y538 PolarHBondContact O-N 3.32Å; W535-L539 WeakPolarHBondContact O-CB 3.4Å; W535-L539 WeakPolarHBondContact O-CD1 3.38Å; W535-L539 VanDerWaalsContact O-CG 3.27Å; W535-L539 WeakPolarHBondContact O-CG 3.49Å; W535-L539 PolarHBondContact O-N 2.8Å; W535-I555 HydrophobicContact CE3-CG2 4.37Å; W535-I555 HydrophobicContact CZ3-CG2 4.14Å; W535-R558 HydrophobicContact CH2-CB 3.75Å; W535-R558 HydrophobicContact CZ3-CB 4.03Å; W535-A559 HydrophobicContact CB-CB 4.36Å; W535-A559 HydrophobicContact CD2-CB 3.67Å; W535-A559 HydrophobicContact CE3-CB 3.52Å; W535-A559 HydrophobicContact CG-CB 4.08Å; W535-A559 HydrophobicContact CH2-CB 4.47Å; W535-A559 HydrophobicContact CZ3-CB 3.96Å; W535-Q562 HydrophobicContact CZ2-CG 4.06Å; W535-L578 HydrophobicContact CB-CD2 4.06Å
536	F	91.7	Very high	87.3	Confident	23 Å²	23	60.9 Å²	60.9	10%	0.101	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-43.8	176.4	-70.3	-49.8	0	0	0	112.1	Y532 D533 R540 R574 L578 N581	Y532-F536 WeakPolarHBondContact O-CD2 3.36Å; Y532-F536 WeakPolarHBondContact O-CG 3.27Å; Y532-F536 PolarHBondContact O-N 3.05Å; D533-F536 PolarHBondContact O-N 3.42Å; F536-R540 VanDerWaalsContact O-CB 3.31Å; F536-R540 WeakPolarHBondContact O-CB 3.39Å; F536-R540 PolarHBondContact O-N 3.15Å; F536-R574 WeakPolarHBondContact CZ-O 3.34Å; F536-L578 HydrophobicContact CD1-CD2 3.63Å; F536-L578 HydrophobicContact CD1-CG 4.43Å; F536-L578 HydrophobicContact CE1-CB 4.39Å; F536-L578 HydrophobicContact CE1-CD2 3.35Å; F536-L578 HydrophobicContact CE1-CG 3.68Å; F536-L578 HydrophobicContact CG-CD2 4.43Å; F536-L578 HydrophobicContact CZ-CD2 3.93Å; F536-L578 HydrophobicContact CZ-CG 3.83Å; F536-N581 WeakPolarHBondContact CD1-ND2 3.49Å; F536-N581 WeakPolarHBondContact CE1-ND2 3.15Å
537	D	89.9	Confident	86.2	Confident	63 Å²	63	55.7 Å²	55.7	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-68.7	-38.4	179	-71.5	-23	0	0	0	111.7	Y521 D533 A534 W535 R540 L541	Y521-D537 HydrophobicContact CD1-CB 4.41Å; Y521-D537 HydrophobicContact CE1-CB 3.77Å; Y521-D537 HydrophobicContact CE2-CB 4.47Å; D533-D537 PolarHBondContact O-N 2.87Å; A534-D537 PolarHBondContact O-N 2.66Å; W535-D537 PolarHBondContact O-N 3.11Å; D537-R540 PolarHBondContact O-N 3.38Å; D537-R540 IonicContact OD1-NH1 3.04Å; D537-L541 WeakPolarHBondContact O-CB 3.33Å; D537-L541 PolarHBondContact O-N 3.32Å
538	Y	90.2	Very high	85.8	Confident	7 Å²	7	57.2 Å²	57.2	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-47.9	175.9	-171.7	-160.8	0	0	0	112	K518 Y521 E522 V525 A534 W535 L541 L542 I555	K518-Y538 HydrophobicContact CG-CE2 4.08Å; Y521-Y538 HydrophobicContact CD2-CD2 4.46Å; E522-Y538 WeakPolarHBondContact OE2-CE1 3.35Å; E522-Y538 PolarHBondContact OE2-OH 3.25Å; V525-Y538 HydrophobicContact CG2-CD1 4.46Å; A534-Y538 WeakPolarHBondContact O-CB 3.45Å; A534-Y538 PolarHBondContact O-N 3.28Å; W535-Y538 HydrophobicContact CE3-CD1 4.44Å; W535-Y538 PolarHBondContact O-N 3.32Å; Y538-L541 WeakPolarHBondContact O-CB 3.44Å; Y538-L541 PolarHBondContact O-N 2.91Å; Y538-L542 HydrophobicContact CD2-CD1 3.8Å; Y538-L542 HydrophobicContact CD2-CG 4.15Å; Y538-L542 HydrophobicContact CE2-CD1 3.63Å; Y538-L542 HydrophobicContact CE2-CD2 4.26Å; Y538-L542 HydrophobicContact CE2-CG 4.02Å; Y538-L542 HydrophobicContact CG-CD1 4.36Å; Y538-L542 WeakPolarHBondContact O-CG 3.33Å; Y538-L542 PolarHBondContact O-N 2.99Å; Y538-L542 VanDerWaalsContact O-N 3.16Å; Y538-I555 HydrophobicContact CD1-CG2 3.74Å; Y538-I555 HydrophobicContact CE1-CD1 3.89Å; Y538-I555 HydrophobicContact CE1-CG1 4.31Å; Y538-I555 HydrophobicContact CE1-CG2 3.79Å; Y538-I555 HydrophobicContact CE2-CD1 4.34Å; Y538-I555 HydrophobicContact CG-CG2 4.5Å
539	L	90.2	Very high	85.6	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.7	-73.5	164.7	0	0	0	111.5	W535 L541 L542 E543 I555 Y556 L578	W535-L539 WeakPolarHBondContact O-CB 3.4Å; W535-L539 WeakPolarHBondContact O-CD1 3.38Å; W535-L539 VanDerWaalsContact O-CG 3.27Å; W535-L539 WeakPolarHBondContact O-CG 3.49Å; W535-L539 PolarHBondContact O-N 2.8Å; L539-L541 VanDerWaalsContact C-N 3.29Å; L539-L541 PolarHBondContact O-N 3.18Å; L539-L542 PolarHBondContact O-N 2.95Å; L539-E543 WeakPolarHBondContact O-CB 3.49Å; L539-E543 WeakPolarHBondContact O-CG 3.33Å; L539-E543 PolarHBondContact O-N 3.47Å; L539-I555 HydrophobicContact CD2-CB 4.24Å; L539-I555 HydrophobicContact CD2-CG2 3.69Å; L539-I555 HydrophobicContact CG-CG2 4.28Å; L539-Y556 HydrophobicContact CD1-CD1 3.67Å; L539-Y556 HydrophobicContact CD1-CE1 3.41Å; L539-Y556 VanDerWaalsContact CD1-CE1 3.41Å; L539-Y556 HydrophobicContact CD1-CG 4.38Å; L539-Y556 HydrophobicContact CD2-CD1 3.94Å; L539-Y556 HydrophobicContact CD2-CD2 3.7Å; L539-Y556 HydrophobicContact CD2-CE1 3.98Å; L539-Y556 HydrophobicContact CD2-CE2 3.71Å; L539-Y556 HydrophobicContact CD2-CG 3.8Å; L539-Y556 HydrophobicContact CG-CD1 4.45Å; L539-Y556 HydrophobicContact CG-CE1 4.22Å; L539-L578 HydrophobicContact CD1-CD2 4.03Å
540	R	89.5	Confident	85.5	Confident	161 Å²	161	59.3 Å²	59.3	61%	0.608	30%	0.299	S	S	*	.	H	α-helix	trans	-61.7	-37.9	177.1	-172.8	-175.2	-67.5	148.5	1.1	112.2	F536 D537 S544	F536-R540 VanDerWaalsContact O-CB 3.31Å; F536-R540 WeakPolarHBondContact O-CB 3.39Å; F536-R540 PolarHBondContact O-N 3.15Å; D537-R540 PolarHBondContact O-N 3.38Å; D537-R540 IonicContact OD1-NH1 3.04Å; R540-S544 WeakPolarHBondContact O-CB 3.48Å; R540-S544 PolarHBondContact O-N 2.91Å; R540-S544 PolarHBondContact O-OG 3.19Å
541	L	87.7	Confident	85.5	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-46.2	176.3	-173	72.1	0	0	0	110.8	V514 R517 K518 Y521 D537 Y538 L539 S544 E545	V514-L541 HydrophobicContact CG1-CD1 3.76Å; V514-L541 HydrophobicContact CG1-CD2 3.91Å; V514-L541 HydrophobicContact CG1-CG 3.82Å; R517-L541 HydrophobicContact CB-CD2 3.8Å; K518-L541 HydrophobicContact CB-CD2 4.35Å; Y521-L541 HydrophobicContact CD2-CD2 3.78Å; Y521-L541 HydrophobicContact CE2-CB 4.32Å; Y521-L541 HydrophobicContact CE2-CD2 3.87Å; D537-L541 WeakPolarHBondContact O-CB 3.33Å; D537-L541 PolarHBondContact O-N 3.32Å; Y538-L541 WeakPolarHBondContact O-CB 3.44Å; Y538-L541 PolarHBondContact O-N 2.91Å; L539-L541 VanDerWaalsContact C-N 3.29Å; L539-L541 PolarHBondContact O-N 3.18Å; L541-S544 PolarHBondContact O-N 3.27Å; L541-S544 PolarHBondContact O-OG 3.42Å; L541-E545 PolarHBondContact O-N 2.97Å; L541-E545 VanDerWaalsContact O-N 3.13Å
542	L	85.5	Confident	85.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.9	-37	-179	-65.9	162.9	0	0	0	112.8	Y538 L539 S544 E545 A547 I552 I555	Y538-L542 HydrophobicContact CD2-CD1 3.8Å; Y538-L542 HydrophobicContact CD2-CG 4.15Å; Y538-L542 HydrophobicContact CE2-CD1 3.63Å; Y538-L542 HydrophobicContact CE2-CD2 4.26Å; Y538-L542 HydrophobicContact CE2-CG 4.02Å; Y538-L542 HydrophobicContact CG-CD1 4.36Å; Y538-L542 WeakPolarHBondContact O-CG 3.33Å; Y538-L542 PolarHBondContact O-N 2.99Å; Y538-L542 VanDerWaalsContact O-N 3.16Å; L539-L542 PolarHBondContact O-N 2.95Å; L542-S544 VanDerWaalsContact C-N 3.27Å; L542-S544 PolarHBondContact O-N 3.07Å; L542-E545 PolarHBondContact O-N 3.34Å; L542-A547 HydrophobicContact CD2-CB 4.4Å; L542-A547 PolarHBondContact O-N 3.3Å; L542-I552 HydrophobicContact CB-CG1 4.17Å; L542-I555 HydrophobicContact CD1-CB 4.36Å; L542-I555 HydrophobicContact CD1-CD1 3.23Å; L542-I555 HydrophobicContact CD1-CG1 4.35Å; L542-I555 HydrophobicContact CD1-CG2 4.16Å
543	E	85.1	Confident	85.5	Confident	69 Å²	69	55.5 Å²	55.5	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-36	172	-74.5	175.6	-176.6	0	0	111.3	L539 Y556 Y585	L539-E543 WeakPolarHBondContact O-CB 3.49Å; L539-E543 WeakPolarHBondContact O-CG 3.33Å; L539-E543 PolarHBondContact O-N 3.47Å; E543-Y556 PolarHBondContact OE1-OH 2.76Å; E543-Y585 HydrophobicContact CG-CD2 4.13Å; E543-Y585 HydrophobicContact CG-CE2 4.27Å
544	S	83.2	Confident	85.5	Confident	85 Å²	85	57.9 Å²	57.9	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-73.3	-25.3	176.8	72.4	0	0	0	0	114.5	R540 L541 L542 E546	R540-S544 WeakPolarHBondContact O-CB 3.48Å; R540-S544 PolarHBondContact O-N 2.91Å; R540-S544 PolarHBondContact O-OG 3.19Å; L541-S544 PolarHBondContact O-N 3.27Å; L541-S544 PolarHBondContact O-OG 3.42Å; L542-S544 VanDerWaalsContact C-N 3.27Å; L542-S544 PolarHBondContact O-N 3.07Å; S544-E546 VanDerWaalsContact C-N 3.3Å
545	E	74.5	Confident	85.5	Confident	79 Å²	79	58.2 Å²	58.2	37%	0.369	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.9	177.8	-74.3	-160.2	124.6	0	0	113.7	V514 L541 L542 A547	V514-E545 VanDerWaalsContact CB-OE1 3.26Å; V514-E545 WeakPolarHBondContact CB-OE1 3.27Å; V514-E545 HydrophobicContact CG1-CG 3.68Å; V514-E545 WeakPolarHBondContact CG1-OE1 3.28Å; L541-E545 PolarHBondContact O-N 2.97Å; L541-E545 VanDerWaalsContact O-N 3.13Å; L542-E545 PolarHBondContact O-N 3.34Å; E545-A547 PolarHBondContact O-N 3.08Å
546	E	70.8	Confident	85.4	Confident	179 Å²	179	58.1 Å²	58.1	84%	0.836	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.7	-170.1	-60	-177.7	172.7	0	0	111.9	S544	S544-E546 VanDerWaalsContact C-N 3.3Å
547	A	67.8	Low	85.4	Confident	21 Å²	21	61.1 Å²	61.1	17%	0.174	31%	0.307	C	S	.	.			trans	-60.9	151.2	178.5	0	0	0	0	0	111.4	L542 E545 H549 I552	L542-A547 HydrophobicContact CD2-CB 4.4Å; L542-A547 PolarHBondContact O-N 3.3Å; E545-A547 PolarHBondContact O-N 3.08Å; A547-H549 PolarHBondContact O-N 3.48Å; A547-I552 HydrophobicContact CB-CD1 4.24Å; A547-I552 HydrophobicContact CB-CG1 4.16Å; A547-I552 WeakPolarHBondContact O-CD1 3.47Å
548	D	81.5	Confident	85.5	Confident	119 Å²	119	61.9 Å²	61.9	64%	0.636	31%	0.305	S	S	*	.			trans	-48.1	130	179.6	-69.2	-29.2	0	0	0	110.9	S550 T551 I552	D548-S550 PolarHBondContact O-N 2.9Å; D548-T551 HydrophobicContact CB-CG2 4.23Å; D548-T551 PolarHBondContact O-N 3.26Å; D548-T551 PolarHBondContact O-OG1 3.38Å; D548-I552 PolarHBondContact O-N 2.91Å
549	H	83.9	Confident	85.5	Confident	89 Å²	89	61.5 Å²	61.5	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-53.1	-29.2	-176.7	-65.4	-61.4	0	0	0	113.2	A547 R553 Y585	A547-H549 PolarHBondContact O-N 3.48Å; H549-R553 VanDerWaalsContact O-CB 3.31Å; H549-R553 WeakPolarHBondContact O-CB 3.28Å; H549-R553 WeakPolarHBondContact O-CD 3.46Å; H549-R553 WeakPolarHBondContact O-CG 3.26Å; H549-R553 PolarHBondContact O-N 2.97Å; H549-Y585 AromaticContact ND1-CZ 3.89Å; H549-Y585 PolarHBondContact ND1-OH 3.36Å
550	S	85.8	Confident	85.5	Confident	74 Å²	74	62 Å²	62	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-43.3	174.1	52.4	0	0	0	0	112.8	D548 R553 E554	D548-S550 PolarHBondContact O-N 2.9Å; S550-R553 WeakPolarHBondContact O-CB 3.25Å; S550-E554 PolarHBondContact O-N 3.27Å
551	T	85.8	Confident	85.6	Confident	45 Å²	45	57.6 Å²	57.6	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-70.5	-42.8	-178.8	64.5	0	0	0	0	111.6	D548 R553 E554 I555	D548-T551 HydrophobicContact CB-CG2 4.23Å; D548-T551 PolarHBondContact O-N 3.26Å; D548-T551 PolarHBondContact O-OG1 3.38Å; T551-R553 VanDerWaalsContact C-N 3.31Å; T551-R553 PolarHBondContact O-N 3.49Å; T551-E554 PolarHBondContact O-N 2.84Å; T551-I555 WeakPolarHBondContact O-CG1 3.38Å; T551-I555 PolarHBondContact O-N 3.32Å; T551-I555 VanDerWaalsContact O-N 3.09Å
552	I	88.4	Confident	85.6	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-42.9	177.1	-62.4	173	0	0	0	110	L542 A547 D548 I555 Y556 Y585	L542-I552 HydrophobicContact CB-CG1 4.17Å; A547-I552 HydrophobicContact CB-CD1 4.24Å; A547-I552 HydrophobicContact CB-CG1 4.16Å; A547-I552 WeakPolarHBondContact O-CD1 3.47Å; D548-I552 PolarHBondContact O-N 2.91Å; I552-I555 PolarHBondContact O-N 2.87Å; I552-Y556 HydrophobicContact CG2-CD2 3.64Å; I552-Y556 HydrophobicContact CG2-CE2 3.57Å; I552-Y556 WeakPolarHBondContact O-CD2 3.06Å; I552-Y556 PolarHBondContact O-N 3.06Å; I552-Y585 HydrophobicContact CB-CE1 4.38Å; I552-Y585 HydrophobicContact CB-CE2 4.37Å; I552-Y585 WeakPolarHBondContact CB-OH 3.25Å; I552-Y585 HydrophobicContact CD1-CE2 3.96Å; I552-Y585 WeakPolarHBondContact CD1-OH 3.41Å; I552-Y585 HydrophobicContact CG2-CD1 4.33Å; I552-Y585 HydrophobicContact CG2-CD2 4.17Å; I552-Y585 HydrophobicContact CG2-CE1 3.77Å; I552-Y585 HydrophobicContact CG2-CE2 3.62Å
553	R	90	Very high	85.8	Confident	50 Å²	50	62.4 Å²	62.4	19%	0.189	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-49.2	174.2	-79.7	163.1	172.6	156.5	7.5	112.5	H549 S550 T551 I555 Y556 E557 E586 R595	H549-R553 VanDerWaalsContact O-CB 3.31Å; H549-R553 WeakPolarHBondContact O-CB 3.28Å; H549-R553 WeakPolarHBondContact O-CD 3.46Å; H549-R553 WeakPolarHBondContact O-CG 3.26Å; H549-R553 PolarHBondContact O-N 2.97Å; S550-R553 WeakPolarHBondContact O-CB 3.25Å; T551-R553 VanDerWaalsContact C-N 3.31Å; T551-R553 PolarHBondContact O-N 3.49Å; R553-I555 PolarHBondContact O-N 3.13Å; R553-Y556 PolarHBondContact O-N 3.03Å; R553-E557 WeakPolarHBondContact O-CB 3.39Å; R553-E557 VanDerWaalsContact O-CG 3.25Å; R553-E557 WeakPolarHBondContact O-CG 3.3Å; R553-E557 PolarHBondContact O-N 3.49Å; R553-E586 WeakPolarHBondContact CG-OE1 3.28Å; R553-E586 IonicContact CZ-OE1 3.03Å; R553-E586 IonicContact CZ-OE2 3.73Å; R553-E586 IonicContact NE-OE1 3.26Å; R553-E586 PolarHBondContact NE-OE1 3.37Å; R553-E586 IonicContact NE-OE2 3.38Å; R553-E586 PolarHBondContact NE-OE2 3.49Å; R553-E586 IonicContact NH2-OE1 2.71Å; R553-E586 IonicContact NH2-OE2 2.75Å; R553-E586 PolarHBondContact NH2-OE2 3.1Å; R553-R595 VanDerWaalsContact CD-NH1 3.29Å
554	E	90.3	Very high	85.9	Confident	123 Å²	123	59.4 Å²	59.4	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-56.5	-39.8	178.4	-173.7	-177.4	165.6	0	0	111.4	S550 T551 E557 R558	S550-E554 PolarHBondContact O-N 3.27Å; T551-E554 PolarHBondContact O-N 2.84Å; E554-E557 PolarHBondContact O-N 3.08Å; E554-R558 WeakPolarHBondContact O-CB 3.43Å; E554-R558 VanDerWaalsContact O-CG 3.25Å; E554-R558 WeakPolarHBondContact O-CG 3.16Å; E554-R558 PolarHBondContact O-N 3.35Å
555	I	90.5	Very high	86	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-75	-37.2	-178.7	-66.4	170.9	0	0	0	111.4	W535 Y538 L539 L542 T551 I552 R553 R558 A559	W535-I555 HydrophobicContact CE3-CG2 4.37Å; W535-I555 HydrophobicContact CZ3-CG2 4.14Å; Y538-I555 HydrophobicContact CD1-CG2 3.74Å; Y538-I555 HydrophobicContact CE1-CD1 3.89Å; Y538-I555 HydrophobicContact CE1-CG1 4.31Å; Y538-I555 HydrophobicContact CE1-CG2 3.79Å; Y538-I555 HydrophobicContact CE2-CD1 4.34Å; Y538-I555 HydrophobicContact CG-CG2 4.5Å; L539-I555 HydrophobicContact CD2-CB 4.24Å; L539-I555 HydrophobicContact CD2-CG2 3.69Å; L539-I555 HydrophobicContact CG-CG2 4.28Å; L542-I555 HydrophobicContact CD1-CB 4.36Å; L542-I555 HydrophobicContact CD1-CD1 3.23Å; L542-I555 HydrophobicContact CD1-CG1 4.35Å; L542-I555 HydrophobicContact CD1-CG2 4.16Å; T551-I555 WeakPolarHBondContact O-CG1 3.38Å; T551-I555 PolarHBondContact O-N 3.32Å; T551-I555 VanDerWaalsContact O-N 3.09Å; I552-I555 PolarHBondContact O-N 2.87Å; R553-I555 PolarHBondContact O-N 3.13Å; I555-R558 PolarHBondContact O-N 3.05Å; I555-A559 WeakPolarHBondContact O-CB 3.21Å; I555-A559 PolarHBondContact O-N 3.49Å
556	Y	91.7	Very high	86.5	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-46.2	168.3	-88.9	-66	0	0	0	111.7	L539 E543 I552 R553 R558 A559 I560 N581 Y582 Y585	L539-Y556 HydrophobicContact CD1-CD1 3.67Å; L539-Y556 HydrophobicContact CD1-CE1 3.41Å; L539-Y556 VanDerWaalsContact CD1-CE1 3.41Å; L539-Y556 HydrophobicContact CD1-CG 4.38Å; L539-Y556 HydrophobicContact CD2-CD1 3.94Å; L539-Y556 HydrophobicContact CD2-CD2 3.7Å; L539-Y556 HydrophobicContact CD2-CE1 3.98Å; L539-Y556 HydrophobicContact CD2-CE2 3.71Å; L539-Y556 HydrophobicContact CD2-CG 3.8Å; L539-Y556 HydrophobicContact CG-CD1 4.45Å; L539-Y556 HydrophobicContact CG-CE1 4.22Å; E543-Y556 PolarHBondContact OE1-OH 2.76Å; I552-Y556 HydrophobicContact CG2-CD2 3.64Å; I552-Y556 HydrophobicContact CG2-CE2 3.57Å; I552-Y556 WeakPolarHBondContact O-CD2 3.06Å; I552-Y556 PolarHBondContact O-N 3.06Å; R553-Y556 PolarHBondContact O-N 3.03Å; Y556-R558 VanDerWaalsContact C-N 3.34Å; Y556-R558 PolarHBondContact O-N 3Å; Y556-A559 WeakPolarHBondContact O-CB 3.41Å; Y556-A559 PolarHBondContact O-N 2.82Å; Y556-A559 VanDerWaalsContact O-N 3.14Å; Y556-I560 WeakPolarHBondContact O-CG1 3.11Å; Y556-I560 WeakPolarHBondContact O-CG2 3.33Å; Y556-I560 PolarHBondContact O-N 2.82Å; Y556-N581 HydrophobicContact CE1-CB 4.26Å; Y556-Y582 AromaticContact CD1-CD2 3.97Å; Y556-Y582 HydrophobicContact CD1-CD2 3.97Å; Y556-Y582 AromaticContact CD1-CG 3.85Å; Y556-Y582 HydrophobicContact CD1-CG 3.85Å; Y556-Y582 AromaticContact CD2-CD2 3.84Å; Y556-Y582 HydrophobicContact CD2-CD2 3.84Å; Y556-Y582 HydrophobicContact CD2-CE2 4.38Å; Y556-Y582 HydrophobicContact CE1-CG 4.48Å; Y556-Y582 HydrophobicContact CE2-CD2 4.48Å; Y556-Y582 AromaticContact CG-CD2 3.58Å; Y556-Y582 HydrophobicContact CG-CD2 3.58Å; Y556-Y582 HydrophobicContact CG-CE2 4.19Å; Y556-Y582 AromaticContact CG-CG 3.89Å; Y556-Y582 HydrophobicContact CG-CG 3.89Å; Y556-Y585 HydrophobicContact CD2-CD1 4.25Å; Y556-Y585 AromaticContact CE2-CD1 3.95Å; Y556-Y585 HydrophobicContact CE2-CD1 3.95Å; Y556-Y585 HydrophobicContact CE2-CD2 4.22Å; Y556-Y585 AromaticContact CE2-CG 3.77Å; Y556-Y585 HydrophobicContact CE2-CG 3.77Å
557	E	91.2	Very high	87.2	Confident	86 Å²	86	59.4 Å²	59.4	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-41.2	176.7	-67.7	-66.1	155.6	0	0	111.7	R553 E554 A559 I560 A561 Y582 R595	R553-E557 WeakPolarHBondContact O-CB 3.39Å; R553-E557 VanDerWaalsContact O-CG 3.25Å; R553-E557 WeakPolarHBondContact O-CG 3.3Å; R553-E557 PolarHBondContact O-N 3.49Å; E554-E557 PolarHBondContact O-N 3.08Å; E557-A559 PolarHBondContact O-N 3.24Å; E557-I560 VanDerWaalsContact O-CG1 3.3Å; E557-I560 WeakPolarHBondContact O-CG1 3.32Å; E557-I560 WeakPolarHBondContact OE2-CD1 3.35Å; E557-A561 WeakPolarHBondContact O-CB 3.48Å; E557-A561 PolarHBondContact O-N 3.3Å; E557-A561 VanDerWaalsContact O-N 3.15Å; E557-Y582 PolarHBondContact OE1-OH 2.93Å; E557-R595 IonicContact OE1-NH2 2.74Å
558	R	91.9	Very high	88	Confident	78 Å²	78	62.1 Å²	62.1	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-39.9	173	-72.6	170.8	63.2	-164.5	-0.7	112.2	E522 W535 E554 I555 Y556	E522-R558 IonicContact OE1-CZ 2.78Å; E522-R558 IonicContact OE1-NH1 2.73Å; E522-R558 PolarHBondContact OE1-NH1 3.33Å; E522-R558 IonicContact OE1-NH2 2.63Å; E522-R558 PolarHBondContact OE1-NH2 2.91Å; E522-R558 IonicContact OE2-CZ 3.14Å; E522-R558 IonicContact OE2-NH1 3.56Å; E522-R558 PolarHBondContact OE2-NH1 3.49Å; E522-R558 IonicContact OE2-NH2 3.72Å; E522-R558 PolarHBondContact OE2-NH2 3.04Å; W535-R558 HydrophobicContact CH2-CB 3.75Å; W535-R558 HydrophobicContact CZ3-CB 4.03Å; E554-R558 WeakPolarHBondContact O-CB 3.43Å; E554-R558 VanDerWaalsContact O-CG 3.25Å; E554-R558 WeakPolarHBondContact O-CG 3.16Å; E554-R558 PolarHBondContact O-N 3.35Å; I555-R558 PolarHBondContact O-N 3.05Å; Y556-R558 VanDerWaalsContact C-N 3.34Å; Y556-R558 PolarHBondContact O-N 3Å
559	A	91.2	Very high	88.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-45.4	-180	0	0	0	0	0	112	W535 I555 Y556 E557 A561 Q562 L578	W535-A559 HydrophobicContact CB-CB 4.36Å; W535-A559 HydrophobicContact CD2-CB 3.67Å; W535-A559 HydrophobicContact CE3-CB 3.52Å; W535-A559 HydrophobicContact CG-CB 4.08Å; W535-A559 HydrophobicContact CH2-CB 4.47Å; W535-A559 HydrophobicContact CZ3-CB 3.96Å; I555-A559 WeakPolarHBondContact O-CB 3.21Å; I555-A559 PolarHBondContact O-N 3.49Å; Y556-A559 WeakPolarHBondContact O-CB 3.41Å; Y556-A559 PolarHBondContact O-N 2.82Å; Y556-A559 VanDerWaalsContact O-N 3.14Å; E557-A559 PolarHBondContact O-N 3.24Å; A559-A561 VanDerWaalsContact C-N 3.29Å; A559-A561 PolarHBondContact O-N 3.01Å; A559-Q562 PolarHBondContact O-N 3.04Å; A559-L578 HydrophobicContact CB-CD1 4.39Å; A559-L578 HydrophobicContact CB-CD2 4.47Å
560	I	90.3	Very high	88.2	Confident	14 Å²	14	65.9 Å²	65.9	7%	0.072	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-25.6	-179.7	65.3	-176.9	0	0	0	112.6	Y556 E557 Q562 Y575 W579 Y582	Y556-I560 WeakPolarHBondContact O-CG1 3.11Å; Y556-I560 WeakPolarHBondContact O-CG2 3.33Å; Y556-I560 PolarHBondContact O-N 2.82Å; E557-I560 VanDerWaalsContact O-CG1 3.3Å; E557-I560 WeakPolarHBondContact O-CG1 3.32Å; E557-I560 WeakPolarHBondContact OE2-CD1 3.35Å; I560-Q562 PolarHBondContact O-N 3.35Å; I560-Y575 PolarHBondContact O-OH 2.93Å; I560-W579 HydrophobicContact CB-CH2 4.33Å; I560-W579 HydrophobicContact CB-CZ2 3.84Å; I560-W579 HydrophobicContact CD1-CH2 3.77Å; I560-W579 HydrophobicContact CD1-CZ2 4.16Å; I560-W579 HydrophobicContact CD1-CZ3 4.17Å; I560-W579 HydrophobicContact CG1-CH2 4.49Å; I560-W579 HydrophobicContact CG1-CZ2 4.4Å; I560-W579 HydrophobicContact CG2-CD2 4.17Å; I560-W579 HydrophobicContact CG2-CZ2 4.17Å; I560-Y582 HydrophobicContact CD1-CD1 4.26Å; I560-Y582 HydrophobicContact CD1-CE1 3.98Å; I560-Y582 HydrophobicContact CG2-CD1 4.44Å
561	A	90.5	Very high	88.1	Confident	67 Å²	67	66.1 Å²	66.1	55%	0.554	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	174	0	0	0	0	0	112.9	E557 A559 V563	E557-A561 WeakPolarHBondContact O-CB 3.48Å; E557-A561 PolarHBondContact O-N 3.3Å; E557-A561 VanDerWaalsContact O-N 3.15Å; A559-A561 VanDerWaalsContact C-N 3.29Å; A559-A561 PolarHBondContact O-N 3.01Å; A561-V563 PolarHBondContact O-N 2.94Å
562	Q	88.9	Confident	88.3	Confident	58 Å²	58	64.3 Å²	64.3	27%	0.271	32%	0.315	S	S	.	.	S	Bend	trans	-83.3	77.4	179	-54	-53.7	-33.1	0	0	111.7	P529 Y532 W535 A559 I560 Y575	P529-Q562 HydrophobicContact CB-CG 4.03Å; Y532-Q562 PolarHBondContact OH-O 3.4Å; W535-Q562 HydrophobicContact CZ2-CG 4.06Å; A559-Q562 PolarHBondContact O-N 3.04Å; I560-Q562 PolarHBondContact O-N 3.35Å; Q562-Y575 VanDerWaalsContact O-CE2 3.26Å; Q562-Y575 WeakPolarHBondContact O-CE2 3.34Å
563	V	88.2	Confident	88.3	Confident	58 Å²	58	70.9 Å²	70.9	35%	0.352	34%	0.34	S	S	.	.			trans	-72.5	134.1	-178.8	-177.3	0	0	0	0	111.3	A561 W572 L606	A561-V563 PolarHBondContact O-N 2.94Å; V563-W572 HydrophobicContact CG1-CH2 4.31Å; V563-W572 HydrophobicContact CG1-CZ2 4.41Å; V563-L606 HydrophobicContact CG2-CD1 4.2Å; V563-L606 HydrophobicContact CG2-CD2 4.41Å
564	P	88.4	Confident	88.2	Confident	6 Å²	6	74.9 Å²	74.9	4%	0.039	36%	0.355	C	S	.	.			trans	-56.6	131	177.5	-19.9	24.3	0	0	0	112.6	Y532 K566 L571 W572 Y575	Y532-P564 HydrophobicContact CE2-CG 4.47Å; Y532-P564 WeakPolarHBondContact OH-CA 3.18Å; Y532-P564 WeakPolarHBondContact OH-CD 3.14Å; Y532-P564 VanDerWaalsContact OH-CG 3.25Å; Y532-P564 WeakPolarHBondContact OH-CG 3.41Å; P564-K566 VanDerWaalsContact C-N 3.3Å; P564-K566 PolarHBondContact O-N 3.41Å; P564-L571 HydrophobicContact CB-CB 4.32Å; P564-W572 HydrophobicContact CG-CD2 4.26Å; P564-W572 HydrophobicContact CG-CG 4.34Å; P564-Y575 HydrophobicContact CG-CD1 3.91Å; P564-Y575 HydrophobicContact CG-CD2 4.22Å; P564-Y575 HydrophobicContact CG-CG 3.65Å
565	P	84.5	Confident	88.3	Confident	105 Å²	105	69.1 Å²	69.1	68%	0.682	33%	0.328	S	S	*	.	S	Bend	trans	-69.3	-25.6	-171.4	25.2	-34.8	0	0	0	113.7
566	K	84.7	Confident	88.3	Confident	143 Å²	143	68.8 Å²	68.8	62%	0.622	33%	0.326	S	S	*	.	S	Bend	trans	-114.5	137.6	179.2	-64.2	-177.1	-178.8	178.8	0	111	P564 V568 L571 W572	P564-K566 VanDerWaalsContact C-N 3.3Å; P564-K566 PolarHBondContact O-N 3.41Å; K566-V568 HydrophobicContact CB-CG2 4.22Å; K566-V568 PolarHBondContact O-N 2.87Å; K566-L571 HydrophobicContact CB-CD1 3.92Å; K566-W572 PolarHBondContact O-NE1 3.25Å
567	Q	84.9	Confident	88.2	Confident	94 Å²	94	73.4 Å²	73.4	44%	0.439	34%	0.344	S	S	.	.			trans	-79.8	52.9	177.3	-64.4	178.9	-15.4	0	0	112.5	W572 P608 K611	Q567-W572 HydrophobicContact CG-CZ2 4.35Å; Q567-P608 HydrophobicContact CG-CG 4.29Å; Q567-K611 HydrophobicContact CB-CD 3.76Å; Q567-K611 VanDerWaalsContact OE1-CD 3.24Å
568	V	85.2	Confident	88.3	Confident	78 Å²	78	69.3 Å²	69.3	47%	0.473	33%	0.325	S	S	.	.			trans	-107.4	126.7	177.8	178.8	0	0	0	0	109.1	K566 R570 L571 W572	K566-V568 HydrophobicContact CB-CG2 4.22Å; K566-V568 PolarHBondContact O-N 2.87Å; V568-R570 HydrophobicContact CG1-CB 4.34Å; V568-R570 PolarHBondContact O-N 3.23Å; V568-L571 PolarHBondContact O-N 2.91Å; V568-W572 VanDerWaalsContact O-CD1 3.27Å; V568-W572 PolarHBondContact O-N 3.27Å
569	K	84.9	Confident	88.3	Confident	80 Å²	80	66.5 Å²	66.5	35%	0.348	32%	0.315	S	S	.	.	H	α-helix	trans	-49.7	-35.3	-175.3	-171.2	179.8	-179.2	-175.6	0	113.9	W572 R573 F612 F614	K569-W572 PolarHBondContact O-N 3.26Å; K569-R573 WeakPolarHBondContact O-CG 3.48Å; K569-R573 PolarHBondContact O-N 3.09Å; K569-R573 VanDerWaalsContact O-N 3.14Å; K569-F612 HydrophobicContact CB-CB 4.08Å; K569-F612 HydrophobicContact CB-CD1 4.15Å; K569-F612 HydrophobicContact CB-CG 4.13Å; K569-F612 HydrophobicContact CD-CB 4.19Å; K569-F612 HydrophobicContact CG-CB 4.14Å; K569-F612 HydrophobicContact CG-CG 4.3Å; K569-F614 HydrophobicContact CG-CE1 4.45Å; K569-F614 HydrophobicContact CG-CE2 4.39Å; K569-F614 HydrophobicContact CG-CZ 3.82Å
570	R	85.4	Confident	88.4	Confident	208 Å²	208	67 Å²	67	79%	0.785	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-44.3	179	-175	177.4	175.1	175.9	-1.4	113	V568	V568-R570 HydrophobicContact CG1-CB 4.34Å; V568-R570 PolarHBondContact O-N 3.23Å
571	L	83.7	Confident	88.5	Confident	78 Å²	78	69.1 Å²	69.1	41%	0.408	33%	0.328	S	S	.	.	H	α-helix	trans	-72.7	-34.3	-179.3	-60.9	174.2	0	0	0	111.6	P564 K566 V568 R573	P564-L571 HydrophobicContact CB-CB 4.32Å; K566-L571 HydrophobicContact CB-CD1 3.92Å; V568-L571 PolarHBondContact O-N 2.91Å; L571-R573 VanDerWaalsContact C-N 3.32Å; L571-R573 PolarHBondContact O-N 2.87Å
572	W	90	Very high	88.6	Confident	7 Å²	7	66 Å²	66	3%	0.027	30%	0.302	C	S	.	.	H	α-helix	trans	-73.5	-22.6	179.2	-75.4	68.7	0	0	0	113.4	V563 P564 K566 Q567 V568 K569 R574 Y575 I576 L606 L607 P608 F612 F614	V563-W572 HydrophobicContact CG1-CH2 4.31Å; V563-W572 HydrophobicContact CG1-CZ2 4.41Å; P564-W572 HydrophobicContact CG-CD2 4.26Å; P564-W572 HydrophobicContact CG-CG 4.34Å; K566-W572 PolarHBondContact O-NE1 3.25Å; Q567-W572 HydrophobicContact CG-CZ2 4.35Å; V568-W572 VanDerWaalsContact O-CD1 3.27Å; V568-W572 PolarHBondContact O-N 3.27Å; K569-W572 PolarHBondContact O-N 3.26Å; W572-R574 PolarHBondContact O-N 2.89Å; W572-Y575 HydrophobicContact CE3-CD1 4.22Å; W572-Y575 HydrophobicContact CZ3-CD1 4.47Å; W572-Y575 HydrophobicContact CZ3-CE1 4.43Å; W572-Y575 PolarHBondContact O-N 3.35Å; W572-I576 HydrophobicContact CB-CD1 4.33Å; W572-I576 WeakPolarHBondContact O-CB 3.45Å; W572-I576 WeakPolarHBondContact O-CD1 2.8Å; W572-I576 VanDerWaalsContact O-CG1 3.25Å; W572-I576 WeakPolarHBondContact O-CG1 3.3Å; W572-I576 PolarHBondContact O-N 3.49Å; W572-L606 HydrophobicContact CH2-CD2 4.39Å; W572-L606 HydrophobicContact CH2-CG 4.42Å; W572-L606 HydrophobicContact CZ3-CD2 4.14Å; W572-L606 HydrophobicContact CZ3-CG 4.46Å; W572-L607 HydrophobicContact CE3-CD2 3.68Å; W572-L607 HydrophobicContact CZ3-CD2 3.85Å; W572-P608 HydrophobicContact CH2-CG 4.23Å; W572-P608 HydrophobicContact CZ2-CG 4.18Å; W572-F612 HydrophobicContact CB-CE1 4.45Å; W572-F612 HydrophobicContact CB-CE2 4.28Å; W572-F612 HydrophobicContact CB-CZ 3.86Å; W572-F612 AromaticContact CD1-CE1 3.97Å; W572-F612 AromaticContact CD1-CZ 3.87Å; W572-F612 HydrophobicContact CD2-CE1 4.21Å; W572-F612 HydrophobicContact CD2-CE2 4.23Å; W572-F612 AromaticContact CD2-CZ 3.4Å; W572-F612 HydrophobicContact CD2-CZ 3.4Å; W572-F612 AromaticContact CE2-CZ 3.85Å; W572-F612 HydrophobicContact CE3-CE2 4.27Å; W572-F612 AromaticContact CE3-CZ 3.8Å; W572-F612 HydrophobicContact CE3-CZ 3.8Å; W572-F612 AromaticContact CG-CE1 3.93Å; W572-F612 HydrophobicContact CG-CE1 3.93Å; W572-F612 HydrophobicContact CG-CE2 4.24Å; W572-F612 AromaticContact CG-CZ 3.4Å; W572-F612 HydrophobicContact CG-CZ 3.4Å; W572-F612 VanDerWaalsContact CG-CZ 3.4Å; W572-F614 HydrophobicContact CB-CE2 4.15Å; W572-F614 HydrophobicContact CB-CZ 4.25Å
573	R	88.6	Confident	88.7	Confident	142 Å²	142	63.2 Å²	63.2	54%	0.536	29%	0.289	S	S	.	.	H	α-helix	trans	-54.7	-54.1	179.5	-83.7	174.3	176.8	-175.1	0.2	111.8	K569 L571 Y577 F614	K569-R573 WeakPolarHBondContact O-CG 3.48Å; K569-R573 PolarHBondContact O-N 3.09Å; K569-R573 VanDerWaalsContact O-N 3.14Å; L571-R573 VanDerWaalsContact C-N 3.32Å; L571-R573 PolarHBondContact O-N 2.87Å; R573-Y577 WeakPolarHBondContact O-CD2 3.42Å; R573-Y577 PolarHBondContact O-N 3.45Å; R573-F614 HydrophobicContact CG-CE1 4.06Å; R573-F614 HydrophobicContact CG-CZ 4.22Å
574	R	88.1	Confident	88.9	Confident	134 Å²	134	63.1 Å²	63.1	51%	0.506	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-46	-179.4	-77.1	-75.1	-175.1	-174.8	3.3	111.3	Y532 D533 F536 W572 I576 Y577 L578	Y532-R574 HydrophobicContact CD2-CB 3.94Å; Y532-R574 HydrophobicContact CG-CB 4.38Å; D533-R574 IonicContact OD1-CZ 2.95Å; D533-R574 IonicContact OD1-NE 2.73Å; D533-R574 IonicContact OD1-NH1 3.89Å; D533-R574 PolarHBondContact OD1-NH1 3.07Å; D533-R574 IonicContact OD1-NH2 3.4Å; F536-R574 WeakPolarHBondContact CZ-O 3.34Å; W572-R574 PolarHBondContact O-N 2.89Å; R574-I576 VanDerWaalsContact C-N 3.28Å; R574-I576 PolarHBondContact O-N 2.58Å; R574-Y577 WeakPolarHBondContact O-CA 3.26Å; R574-Y577 WeakPolarHBondContact O-CB 3.4Å; R574-Y577 PolarHBondContact O-N 2.89Å; R574-L578 PolarHBondContact O-N 3.14Å
575	Y	91	Very high	89	Confident	2 Å²	2	63 Å²	63	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-38.7	177.8	178.9	-106	0	0	0	113.5	Y532 I560 Q562 P564 W572 Y577 L578 W579 L606	Y532-Y575 HydrophobicContact CD1-CD2 4.22Å; Y532-Y575 AromaticContact CE1-CD2 3.55Å; Y532-Y575 HydrophobicContact CE1-CD2 3.55Å; Y532-Y575 HydrophobicContact CE1-CE2 4.44Å; Y532-Y575 HydrophobicContact CE1-CG 4.32Å; Y532-Y575 AromaticContact CZ-CD2 3.94Å; I560-Y575 PolarHBondContact O-OH 2.93Å; Q562-Y575 VanDerWaalsContact O-CE2 3.26Å; Q562-Y575 WeakPolarHBondContact O-CE2 3.34Å; P564-Y575 HydrophobicContact CG-CD1 3.91Å; P564-Y575 HydrophobicContact CG-CD2 4.22Å; P564-Y575 HydrophobicContact CG-CG 3.65Å; W572-Y575 HydrophobicContact CE3-CD1 4.22Å; W572-Y575 HydrophobicContact CZ3-CD1 4.47Å; W572-Y575 HydrophobicContact CZ3-CE1 4.43Å; W572-Y575 PolarHBondContact O-N 3.35Å; Y575-Y577 VanDerWaalsContact C-N 3.27Å; Y575-Y577 PolarHBondContact O-N 3.45Å; Y575-L578 HydrophobicContact CD2-CD1 4.25Å; Y575-L578 WeakPolarHBondContact O-CB 3.48Å; Y575-L578 PolarHBondContact O-N 2.9Å; Y575-L578 VanDerWaalsContact O-N 3.09Å; Y575-W579 AromaticContact CE1-CD1 3.74Å; Y575-W579 AromaticContact CE1-NE1 3.27Å; Y575-W579 VanDerWaalsContact CE1-NE1 3.27Å; Y575-W579 AromaticContact CZ-NE1 3.28Å; Y575-W579 VanDerWaalsContact CZ-NE1 3.28Å; Y575-W579 PolarHBondContact OH-NE1 3.35Å; Y575-W579 VanDerWaalsContact OH-NE1 3.15Å; Y575-L606 HydrophobicContact CE1-CD2 3.48Å; Y575-L606 VanDerWaalsContact CE1-CD2 3.48Å; Y575-L606 VanDerWaalsContact OH-CD2 3.28Å; Y575-L606 WeakPolarHBondContact OH-CD2 3.4Å
576	I	90.4	Very high	89.3	Confident	5 Å²	5	58 Å²	58	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-31.5	175	-77.4	163.4	0	0	0	112.7	W572 R574 L578 W579 I580 L607 F614 I617	W572-I576 HydrophobicContact CB-CD1 4.33Å; W572-I576 WeakPolarHBondContact O-CB 3.45Å; W572-I576 WeakPolarHBondContact O-CD1 2.8Å; W572-I576 VanDerWaalsContact O-CG1 3.25Å; W572-I576 WeakPolarHBondContact O-CG1 3.3Å; W572-I576 PolarHBondContact O-N 3.49Å; R574-I576 VanDerWaalsContact C-N 3.28Å; R574-I576 PolarHBondContact O-N 2.58Å; I576-L578 PolarHBondContact O-N 3.5Å; I576-W579 WeakPolarHBondContact O-CB 3.31Å; I576-W579 PolarHBondContact O-N 3.46Å; I576-I580 HydrophobicContact CG2-CD1 3.87Å; I576-I580 HydrophobicContact CG2-CG1 4.31Å; I576-I580 WeakPolarHBondContact O-CG1 3.19Å; I576-I580 PolarHBondContact O-N 2.88Å; I576-L607 HydrophobicContact CD1-CD2 3.6Å; I576-L607 HydrophobicContact CG1-CD2 3.91Å; I576-F614 HydrophobicContact CD1-CB 4.34Å; I576-F614 HydrophobicContact CD1-CD1 3.72Å; I576-F614 HydrophobicContact CD1-CD2 3.13Å; I576-F614 HydrophobicContact CD1-CE1 3.65Å; I576-F614 HydrophobicContact CD1-CE2 3.01Å; I576-F614 HydrophobicContact CD1-CG 3.47Å; I576-F614 VanDerWaalsContact CD1-CG 3.47Å; I576-F614 HydrophobicContact CD1-CZ 3.31Å; I576-I617 HydrophobicContact CB-CD1 4.32Å; I576-I617 HydrophobicContact CD1-CD1 4.1Å; I576-I617 HydrophobicContact CG1-CD1 4.02Å; I576-I617 HydrophobicContact CG2-CD1 3.4Å; I576-I617 VanDerWaalsContact CG2-CD1 3.4Å; I576-I617 HydrophobicContact CG2-CG1 3.76Å
577	Y	91.2	Very high	89.5	Confident	99 Å²	99	52.5 Å²	52.5	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-26.4	174.8	-82.2	-79.3	0	0	0	112.2	R573 R574 Y575 I580 N581	R573-Y577 WeakPolarHBondContact O-CD2 3.42Å; R573-Y577 PolarHBondContact O-N 3.45Å; R574-Y577 WeakPolarHBondContact O-CA 3.26Å; R574-Y577 WeakPolarHBondContact O-CB 3.4Å; R574-Y577 PolarHBondContact O-N 2.89Å; Y575-Y577 VanDerWaalsContact C-N 3.27Å; Y575-Y577 PolarHBondContact O-N 3.45Å; Y577-I580 HydrophobicContact CD1-CD1 4.17Å; Y577-I580 HydrophobicContact CE1-CD1 4.35Å; Y577-I580 PolarHBondContact O-N 3.22Å; Y577-N581 WeakPolarHBondContact O-CB 3.14Å; Y577-N581 PolarHBondContact O-N 3.39Å; Y577-N581 PolarHBondContact O-OD1 3.15Å
578	L	91.6	Very high	89.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-44.2	169.9	-69	168.2	0	0	0	111	Y532 W535 F536 L539 A559 R574 Y575 I576 N581 Y582	Y532-L578 HydrophobicContact CD1-CD1 3.49Å; Y532-L578 VanDerWaalsContact CD1-CD1 3.49Å; Y532-L578 HydrophobicContact CE1-CD1 4.24Å; Y532-L578 HydrophobicContact CG-CD1 4.22Å; W535-L578 HydrophobicContact CB-CD2 4.06Å; F536-L578 HydrophobicContact CD1-CD2 3.63Å; F536-L578 HydrophobicContact CD1-CG 4.43Å; F536-L578 HydrophobicContact CE1-CB 4.39Å; F536-L578 HydrophobicContact CE1-CD2 3.35Å; F536-L578 HydrophobicContact CE1-CG 3.68Å; F536-L578 HydrophobicContact CG-CD2 4.43Å; F536-L578 HydrophobicContact CZ-CD2 3.93Å; F536-L578 HydrophobicContact CZ-CG 3.83Å; L539-L578 HydrophobicContact CD1-CD2 4.03Å; A559-L578 HydrophobicContact CB-CD1 4.39Å; A559-L578 HydrophobicContact CB-CD2 4.47Å; R574-L578 PolarHBondContact O-N 3.14Å; Y575-L578 HydrophobicContact CD2-CD1 4.25Å; Y575-L578 WeakPolarHBondContact O-CB 3.48Å; Y575-L578 PolarHBondContact O-N 2.9Å; Y575-L578 VanDerWaalsContact O-N 3.09Å; I576-L578 PolarHBondContact O-N 3.5Å; L578-N581 PolarHBondContact O-N 2.91Å; L578-Y582 WeakPolarHBondContact O-CB 3.41Å; L578-Y582 PolarHBondContact O-N 3.49Å
579	W	93.4	Very high	89.8	Confident	19 Å²	19	54.2 Å²	54.2	7%	0.072	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-41.3	175	-74.9	95.8	0	0	0	112.8	I560 Y575 I576 Y582 A583 V599 A602 C603 L606	I560-W579 HydrophobicContact CB-CH2 4.33Å; I560-W579 HydrophobicContact CB-CZ2 3.84Å; I560-W579 HydrophobicContact CD1-CH2 3.77Å; I560-W579 HydrophobicContact CD1-CZ2 4.16Å; I560-W579 HydrophobicContact CD1-CZ3 4.17Å; I560-W579 HydrophobicContact CG1-CH2 4.49Å; I560-W579 HydrophobicContact CG1-CZ2 4.4Å; I560-W579 HydrophobicContact CG2-CD2 4.17Å; I560-W579 HydrophobicContact CG2-CZ2 4.17Å; Y575-W579 AromaticContact CE1-CD1 3.74Å; Y575-W579 AromaticContact CE1-NE1 3.27Å; Y575-W579 VanDerWaalsContact CE1-NE1 3.27Å; Y575-W579 AromaticContact CZ-NE1 3.28Å; Y575-W579 VanDerWaalsContact CZ-NE1 3.28Å; Y575-W579 PolarHBondContact OH-NE1 3.35Å; Y575-W579 VanDerWaalsContact OH-NE1 3.15Å; I576-W579 WeakPolarHBondContact O-CB 3.31Å; I576-W579 PolarHBondContact O-N 3.46Å; W579-Y582 PolarHBondContact O-N 3.28Å; W579-A583 WeakPolarHBondContact O-CB 3.39Å; W579-A583 PolarHBondContact O-N 3.22Å; W579-V599 HydrophobicContact CE3-CG1 3.66Å; W579-V599 HydrophobicContact CZ3-CG1 3.95Å; W579-V599 VanDerWaalsContact CZ3-O 3.28Å; W579-V599 WeakPolarHBondContact CZ3-O 3.47Å; W579-A602 HydrophobicContact CH2-CB 3.75Å; W579-A602 HydrophobicContact CZ3-CB 3.85Å; W579-C603 HydrophobicContact CB-CB 4.22Å; W579-C603 VanDerWaalsContact CB-SG 3.57Å; W579-C603 HydrophobicContact CD2-CB 3.7Å; W579-C603 HydrophobicContact CE3-CB 3.6Å; W579-C603 HydrophobicContact CG-CB 3.99Å; W579-C603 VanDerWaalsContact CG-SG 3.52Å; W579-C603 HydrophobicContact CZ3-CB 4.22Å; W579-L606 HydrophobicContact CZ2-CD2 4.44Å
580	I	92.9	Very high	89.8	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.046	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-46.5	176.3	-68.5	169.6	0	0	0	110.4	I576 Y577 A583 L584 K616 M620	I576-I580 HydrophobicContact CG2-CD1 3.87Å; I576-I580 HydrophobicContact CG2-CG1 4.31Å; I576-I580 WeakPolarHBondContact O-CG1 3.19Å; I576-I580 PolarHBondContact O-N 2.88Å; Y577-I580 HydrophobicContact CD1-CD1 4.17Å; Y577-I580 HydrophobicContact CE1-CD1 4.35Å; Y577-I580 PolarHBondContact O-N 3.22Å; I580-A583 PolarHBondContact O-N 3.2Å; I580-L584 HydrophobicContact CG2-CD1 3.85Å; I580-L584 HydrophobicContact CG2-CG 4.35Å; I580-L584 WeakPolarHBondContact O-CB 3.48Å; I580-L584 VanDerWaalsContact O-CG 3.27Å; I580-L584 WeakPolarHBondContact O-CG 3.46Å; I580-L584 PolarHBondContact O-N 3.12Å; I580-K616 HydrophobicContact CD1-CD 4.35Å; I580-M620 HydrophobicContact CD1-SD 4.34Å; I580-M620 HydrophobicContact CG1-SD 4.28Å; I580-M620 HydrophobicContact CG2-CE 3.74Å; I580-M620 HydrophobicContact CG2-SD 3.85Å
581	N	91.3	Very high	89.9	Confident	59 Å²	59	49.1 Å²	49.1	32%	0.316	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-41.3	178.5	-69	-0.9	0	0	0	111.2	F536 Y556 Y577 L578 A583 L584 Y585	F536-N581 WeakPolarHBondContact CD1-ND2 3.49Å; F536-N581 WeakPolarHBondContact CE1-ND2 3.15Å; Y556-N581 HydrophobicContact CE1-CB 4.26Å; Y577-N581 WeakPolarHBondContact O-CB 3.14Å; Y577-N581 PolarHBondContact O-N 3.39Å; Y577-N581 PolarHBondContact O-OD1 3.15Å; L578-N581 PolarHBondContact O-N 2.91Å; N581-A583 PolarHBondContact O-N 3.41Å; N581-L584 PolarHBondContact O-N 3.18Å; N581-Y585 VanDerWaalsContact O-CB 3.28Å; N581-Y585 WeakPolarHBondContact O-CB 3.5Å; N581-Y585 PolarHBondContact O-N 3.07Å
582	Y	92.5	Very high	90.2	Very high	1 Å²	1	48 Å²	48	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-44.7	176.7	-174.2	-159	0	0	0	111.8	Y556 E557 I560 L578 W579 Y585 E586 R595 V599	Y556-Y582 AromaticContact CD1-CD2 3.97Å; Y556-Y582 HydrophobicContact CD1-CD2 3.97Å; Y556-Y582 AromaticContact CD1-CG 3.85Å; Y556-Y582 HydrophobicContact CD1-CG 3.85Å; Y556-Y582 AromaticContact CD2-CD2 3.84Å; Y556-Y582 HydrophobicContact CD2-CD2 3.84Å; Y556-Y582 HydrophobicContact CD2-CE2 4.38Å; Y556-Y582 HydrophobicContact CE1-CG 4.48Å; Y556-Y582 HydrophobicContact CE2-CD2 4.48Å; Y556-Y582 AromaticContact CG-CD2 3.58Å; Y556-Y582 HydrophobicContact CG-CD2 3.58Å; Y556-Y582 HydrophobicContact CG-CE2 4.19Å; Y556-Y582 AromaticContact CG-CG 3.89Å; Y556-Y582 HydrophobicContact CG-CG 3.89Å; E557-Y582 PolarHBondContact OE1-OH 2.93Å; I560-Y582 HydrophobicContact CD1-CD1 4.26Å; I560-Y582 HydrophobicContact CD1-CE1 3.98Å; I560-Y582 HydrophobicContact CG2-CD1 4.44Å; L578-Y582 WeakPolarHBondContact O-CB 3.41Å; L578-Y582 PolarHBondContact O-N 3.49Å; W579-Y582 PolarHBondContact O-N 3.28Å; Y582-Y585 PolarHBondContact O-N 3.36Å; Y582-E586 HydrophobicContact CD2-CG 3.95Å; Y582-E586 HydrophobicContact CE2-CG 3.6Å; Y582-E586 PolarHBondContact O-N 2.87Å; Y582-R595 PolarHBondContact OH-NE 2.9Å; Y582-R595 PolarHBondContact OH-NH2 2.93Å; Y582-V599 HydrophobicContact CD1-CB 4.31Å; Y582-V599 HydrophobicContact CD1-CG1 3.57Å; Y582-V599 HydrophobicContact CD1-CG2 3.66Å; Y582-V599 HydrophobicContact CE1-CB 4.44Å; Y582-V599 HydrophobicContact CE1-CG1 4.17Å; Y582-V599 HydrophobicContact CE1-CG2 3.39Å; Y582-V599 HydrophobicContact CE2-CG2 4.3Å; Y582-V599 HydrophobicContact CG-CG1 4.02Å; Y582-V599 HydrophobicContact CG-CG2 4.24Å
583	A	92.3	Very high	90.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-40.9	176.7	0	0	0	0	0	112.1	W579 I580 N581 E587 T596 V599 Y600	W579-A583 WeakPolarHBondContact O-CB 3.39Å; W579-A583 PolarHBondContact O-N 3.22Å; I580-A583 PolarHBondContact O-N 3.2Å; N581-A583 PolarHBondContact O-N 3.41Å; A583-E587 WeakPolarHBondContact O-CB 3.34Å; A583-E587 PolarHBondContact O-N 3.14Å; A583-T596 HydrophobicContact CB-CG2 4.47Å; A583-V599 HydrophobicContact CB-CG1 4Å; A583-Y600 HydrophobicContact CB-CD1 4.4Å; A583-Y600 HydrophobicContact CB-CD2 4.27Å; A583-Y600 HydrophobicContact CB-CE1 3.88Å; A583-Y600 HydrophobicContact CB-CE2 3.73Å
584	L	91.6	Very high	90.2	Very high	57 Å²	57	47.2 Å²	47.2	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-67.4	-37.2	175.8	-72.4	174.1	0	0	0	112.4	I580 N581 E587 L588 M620	I580-L584 HydrophobicContact CG2-CD1 3.85Å; I580-L584 HydrophobicContact CG2-CG 4.35Å; I580-L584 WeakPolarHBondContact O-CB 3.48Å; I580-L584 VanDerWaalsContact O-CG 3.27Å; I580-L584 WeakPolarHBondContact O-CG 3.46Å; I580-L584 PolarHBondContact O-N 3.12Å; N581-L584 PolarHBondContact O-N 3.18Å; L584-E587 PolarHBondContact O-N 3.31Å; L584-L588 HydrophobicContact CD2-CD1 4.37Å; L584-L588 VanDerWaalsContact O-CB 3.29Å; L584-L588 WeakPolarHBondContact O-CB 3.47Å; L584-L588 WeakPolarHBondContact O-CG 3.39Å; L584-L588 PolarHBondContact O-N 3.12Å; L584-M620 HydrophobicContact CD1-CE 4.19Å; L584-M620 HydrophobicContact CD2-CE 3.86Å; L584-M620 HydrophobicContact CG-CE 4.05Å
585	Y	91	Very high	90.3	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-48.5	175.2	170.7	-91.8	0	0	0	111	E543 H549 I552 Y556 N581 Y582 E587 I589 A590	E543-Y585 HydrophobicContact CG-CD2 4.13Å; E543-Y585 HydrophobicContact CG-CE2 4.27Å; H549-Y585 AromaticContact ND1-CZ 3.89Å; H549-Y585 PolarHBondContact ND1-OH 3.36Å; I552-Y585 HydrophobicContact CB-CE1 4.38Å; I552-Y585 HydrophobicContact CB-CE2 4.37Å; I552-Y585 WeakPolarHBondContact CB-OH 3.25Å; I552-Y585 HydrophobicContact CD1-CE2 3.96Å; I552-Y585 WeakPolarHBondContact CD1-OH 3.41Å; I552-Y585 HydrophobicContact CG2-CD1 4.33Å; I552-Y585 HydrophobicContact CG2-CD2 4.17Å; I552-Y585 HydrophobicContact CG2-CE1 3.77Å; I552-Y585 HydrophobicContact CG2-CE2 3.62Å; Y556-Y585 HydrophobicContact CD2-CD1 4.25Å; Y556-Y585 AromaticContact CE2-CD1 3.95Å; Y556-Y585 HydrophobicContact CE2-CD1 3.95Å; Y556-Y585 HydrophobicContact CE2-CD2 4.22Å; Y556-Y585 AromaticContact CE2-CG 3.77Å; Y556-Y585 HydrophobicContact CE2-CG 3.77Å; N581-Y585 VanDerWaalsContact O-CB 3.28Å; N581-Y585 WeakPolarHBondContact O-CB 3.5Å; N581-Y585 PolarHBondContact O-N 3.07Å; Y582-Y585 PolarHBondContact O-N 3.36Å; Y585-E587 VanDerWaalsContact C-N 3.27Å; Y585-E587 PolarHBondContact O-N 3.49Å; Y585-I589 HydrophobicContact CD2-CB 3.97Å; Y585-I589 HydrophobicContact CD2-CD1 3.62Å; Y585-I589 HydrophobicContact CD2-CG1 4.36Å; Y585-I589 HydrophobicContact CD2-CG2 4.14Å; Y585-I589 HydrophobicContact CE2-CB 4.02Å; Y585-I589 HydrophobicContact CE2-CD1 4.13Å; Y585-I589 HydrophobicContact CE2-CG2 3.69Å; Y585-I589 WeakPolarHBondContact O-CA 3.42Å; Y585-I589 WeakPolarHBondContact O-CB 3.48Å; Y585-I589 PolarHBondContact O-N 2.84Å; Y585-A590 HydrophobicContact CE1-CB 4.2Å; Y585-A590 PolarHBondContact O-N 3.29Å
586	E	90	Very high	90.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-30.6	177.6	-72.2	-68.5	167.8	0	0	112.6	R553 Y582 A590 E591 N592 R595 T596	R553-E586 WeakPolarHBondContact CG-OE1 3.28Å; R553-E586 IonicContact CZ-OE1 3.03Å; R553-E586 IonicContact CZ-OE2 3.73Å; R553-E586 IonicContact NE-OE1 3.26Å; R553-E586 PolarHBondContact NE-OE1 3.37Å; R553-E586 IonicContact NE-OE2 3.38Å; R553-E586 PolarHBondContact NE-OE2 3.49Å; R553-E586 IonicContact NH2-OE1 2.71Å; R553-E586 IonicContact NH2-OE2 2.75Å; R553-E586 PolarHBondContact NH2-OE2 3.1Å; Y582-E586 HydrophobicContact CD2-CG 3.95Å; Y582-E586 HydrophobicContact CE2-CG 3.6Å; Y582-E586 PolarHBondContact O-N 2.87Å; E586-A590 WeakPolarHBondContact OE2-CB 3.3Å; E586-E591 PolarHBondContact O-N 2.87Å; E586-E591 VanDerWaalsContact O-N 3.1Å; E586-N592 PolarHBondContact O-N 3.34Å; E586-R595 VanDerWaalsContact CD-CD 3.48Å; E586-R595 HydrophobicContact CG-CG 4.13Å; E586-R595 WeakPolarHBondContact OE1-CD 3.37Å; E586-R595 IonicContact OE1-CZ 2.89Å; E586-R595 IonicContact OE1-NE 3.81Å; E586-R595 PolarHBondContact OE1-NE 2.81Å; E586-R595 WeakPolarHBondContact OE2-CD 3.41Å; E586-T596 WeakPolarHBondContact CB-OG1 3.32Å
587	E	89.1	Confident	90.4	Very high	27 Å²	27	45.8 Å²	45.8	13%	0.126	23%	0.225	C	C	.	.	H	α-helix	trans	-77	-51.5	178.4	-175	176.8	-176.8	0	0	113	A583 L584 Y585 T596 F624 R627	A583-E587 WeakPolarHBondContact O-CB 3.34Å; A583-E587 PolarHBondContact O-N 3.14Å; L584-E587 PolarHBondContact O-N 3.31Å; Y585-E587 VanDerWaalsContact C-N 3.27Å; Y585-E587 PolarHBondContact O-N 3.49Å; E587-T596 HydrophobicContact CB-CG2 4.13Å; E587-T596 PolarHBondContact N-OG1 3.28Å; E587-F624 HydrophobicContact CG-CD2 4.21Å; E587-F624 HydrophobicContact CG-CE2 4.4Å; E587-R627 IonicContact OE1-CZ 2.84Å; E587-R627 IonicContact OE1-NE 3.67Å; E587-R627 PolarHBondContact OE1-NE 2.87Å; E587-R627 IonicContact OE1-NH2 3.7Å; E587-R627 PolarHBondContact OE1-NH2 3.44Å; E587-R627 IonicContact OE2-CZ 3.66Å; E587-R627 IonicContact OE2-NH2 2.7Å; E587-R627 PolarHBondContact OE2-NH2 3.16Å
588	L	89.3	Confident	90.4	Very high	120 Å²	120	47.2 Å²	47.2	63%	0.628	24%	0.235	S	C	*	.	H	α-helix	trans	-93.5	-30.8	-168.8	-62.4	177.1	0	0	0	113.6	L584	L584-L588 HydrophobicContact CD2-CD1 4.37Å; L584-L588 VanDerWaalsContact O-CB 3.29Å; L584-L588 WeakPolarHBondContact O-CB 3.47Å; L584-L588 WeakPolarHBondContact O-CG 3.39Å; L584-L588 PolarHBondContact O-N 3.12Å
589	I	87.1	Confident	90.5	Very high	88 Å²	88	47.5 Å²	47.5	45%	0.451	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-50.1	-173.6	-63.6	166.5	0	0	0	110.4	Y585	Y585-I589 HydrophobicContact CD2-CB 3.97Å; Y585-I589 HydrophobicContact CD2-CD1 3.62Å; Y585-I589 HydrophobicContact CD2-CG1 4.36Å; Y585-I589 HydrophobicContact CD2-CG2 4.14Å; Y585-I589 HydrophobicContact CE2-CB 4.02Å; Y585-I589 HydrophobicContact CE2-CD1 4.13Å; Y585-I589 HydrophobicContact CE2-CG2 3.69Å; Y585-I589 WeakPolarHBondContact O-CA 3.42Å; Y585-I589 WeakPolarHBondContact O-CB 3.48Å; Y585-I589 PolarHBondContact O-N 2.84Å
590	A	86	Confident	90.5	Very high	20 Å²	20	46.8 Å²	46.8	17%	0.165	23%	0.234	C	C	.	.	S	Bend	trans	-86.3	-8.5	-178.1	0	0	0	0	0	113.9	Y585 E586 N592	Y585-A590 HydrophobicContact CE1-CB 4.2Å; Y585-A590 PolarHBondContact O-N 3.29Å; E586-A590 WeakPolarHBondContact OE2-CB 3.3Å; A590-N592 PolarHBondContact O-N 3.11Å; A590-N592 VanDerWaalsContact O-N 3.08Å
591	E	87.2	Confident	90.4	Very high	160 Å²	160	50 Å²	50	75%	0.748	25%	0.251	S	S	*	.			trans	48	35.7	178.6	-59.4	-174.4	165.6	0	0	114.1	E586 P593	E586-E591 PolarHBondContact O-N 2.87Å; E586-E591 VanDerWaalsContact O-N 3.1Å; E591-P593 VanDerWaalsContact O-CD 3.23Å; E591-P593 WeakPolarHBondContact O-CD 3.45Å
592	N	89.8	Confident	90.5	Very high	54 Å²	54	49.1 Å²	49.1	29%	0.289	25%	0.252	S	S	.	.			trans	-107.6	96.1	-178.9	-167.3	-34.7	0	0	0	111.3	E586 A590 D594 R595 T596	E586-N592 PolarHBondContact O-N 3.34Å; A590-N592 PolarHBondContact O-N 3.11Å; A590-N592 VanDerWaalsContact O-N 3.08Å; N592-D594 PolarHBondContact O-N 3.37Å; N592-D594 PolarHBondContact OD1-N 3.43Å; N592-R595 HydrophobicContact CB-CB 4.09Å; N592-R595 PolarHBondContact OD1-N 3.02Å; N592-T596 WeakPolarHBondContact O-CB 3.48Å; N592-T596 PolarHBondContact O-N 3.05Å; N592-T596 PolarHBondContact O-OG1 2.86Å
593	P	88.6	Confident	90.4	Very high	39 Å²	39	49.2 Å²	49.2	25%	0.253	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-36	-176.6	27.2	-35	0	0	0	112.6	E591 T596 R597 F624 Q628	E591-P593 VanDerWaalsContact O-CD 3.23Å; E591-P593 WeakPolarHBondContact O-CD 3.45Å; P593-T596 WeakPolarHBondContact O-CB 3.5Å; P593-T596 PolarHBondContact O-N 3.5Å; P593-R597 WeakPolarHBondContact O-CG 3.34Å; P593-R597 PolarHBondContact O-N 2.79Å; P593-F624 HydrophobicContact CB-CZ 4.16Å; P593-F624 WeakPolarHBondContact O-CZ 3.43Å; P593-Q628 HydrophobicContact CB-CG 4.37Å; P593-Q628 VanDerWaalsContact CB-OE1 3.29Å
594	D	91.1	Very high	90.3	Very high	94 Å²	94	49.9 Å²	49.9	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-68.3	-39.4	-178.7	-67.2	-39.9	0	0	0	111.9	N592 R597 Q598	N592-D594 PolarHBondContact O-N 3.37Å; N592-D594 PolarHBondContact OD1-N 3.43Å; D594-R597 WeakPolarHBondContact O-CB 3.41Å; D594-R597 PolarHBondContact O-N 2.89Å; D594-R597 IonicContact OD1-NH1 3.09Å; D594-R597 PolarHBondContact OD1-NH1 3.01Å; D594-Q598 WeakPolarHBondContact O-CG 3.49Å; D594-Q598 PolarHBondContact O-N 2.71Å; D594-Q598 VanDerWaalsContact O-N 3.16Å
595	R	88.1	Confident	90.1	Very high	62 Å²	62	55 Å²	55	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-41.6	173.9	-169.9	161.9	-179.9	151	3.7	111.2	R553 E557 Y582 E586 N592 R597 Q598 V599	R553-R595 VanDerWaalsContact CD-NH1 3.29Å; E557-R595 IonicContact OE1-NH2 2.74Å; Y582-R595 PolarHBondContact OH-NE 2.9Å; Y582-R595 PolarHBondContact OH-NH2 2.93Å; E586-R595 VanDerWaalsContact CD-CD 3.48Å; E586-R595 HydrophobicContact CG-CG 4.13Å; E586-R595 WeakPolarHBondContact OE1-CD 3.37Å; E586-R595 IonicContact OE1-CZ 2.89Å; E586-R595 IonicContact OE1-NE 3.81Å; E586-R595 PolarHBondContact OE1-NE 2.81Å; E586-R595 WeakPolarHBondContact OE2-CD 3.41Å; N592-R595 HydrophobicContact CB-CB 4.09Å; N592-R595 PolarHBondContact OD1-N 3.02Å; R595-R597 VanDerWaalsContact C-N 3.27Å; R595-R597 PolarHBondContact O-N 2.83Å; R595-Q598 WeakPolarHBondContact O-CA 3.37Å; R595-Q598 WeakPolarHBondContact O-CB 3.39Å; R595-Q598 PolarHBondContact O-N 2.99Å; R595-V599 HydrophobicContact CG-CG2 4.47Å; R595-V599 WeakPolarHBondContact O-CG2 3.38Å; R595-V599 PolarHBondContact O-N 3.1Å
596	T	92.1	Very high	90	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-42.1	175	-56.6	0	0	0	0	111.6	A583 E586 E587 N592 P593 Q598 V599 Y600 F624	A583-T596 HydrophobicContact CB-CG2 4.47Å; E586-T596 WeakPolarHBondContact CB-OG1 3.32Å; E587-T596 HydrophobicContact CB-CG2 4.13Å; E587-T596 PolarHBondContact N-OG1 3.28Å; N592-T596 WeakPolarHBondContact O-CB 3.48Å; N592-T596 PolarHBondContact O-N 3.05Å; N592-T596 PolarHBondContact O-OG1 2.86Å; P593-T596 WeakPolarHBondContact O-CB 3.5Å; P593-T596 PolarHBondContact O-N 3.5Å; T596-Q598 PolarHBondContact O-N 3.01Å; T596-V599 PolarHBondContact O-N 2.71Å; T596-Y600 HydrophobicContact CG2-CD2 3.83Å; T596-Y600 HydrophobicContact CG2-CE2 3.57Å; T596-Y600 VanDerWaalsContact O-CD2 3.27Å; T596-Y600 WeakPolarHBondContact O-CD2 3.26Å; T596-Y600 PolarHBondContact O-N 3.14Å; T596-F624 HydrophobicContact CG2-CD2 3.53Å; T596-F624 HydrophobicContact CG2-CE1 4.4Å; T596-F624 HydrophobicContact CG2-CE2 3.35Å; T596-F624 HydrophobicContact CG2-CG 4.12Å; T596-F624 HydrophobicContact CG2-CZ 3.83Å
597	R	92.8	Very high	89.8	Confident	50 Å²	50	58.5 Å²	58.5	19%	0.189	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-45.7	172.3	-71.3	179.9	-173.9	113.5	4.9	112.8	P593 D594 R595 V599 Y600 N601 F624 E625 N630	P593-R597 WeakPolarHBondContact O-CG 3.34Å; P593-R597 PolarHBondContact O-N 2.79Å; D594-R597 WeakPolarHBondContact O-CB 3.41Å; D594-R597 PolarHBondContact O-N 2.89Å; D594-R597 IonicContact OD1-NH1 3.09Å; D594-R597 PolarHBondContact OD1-NH1 3.01Å; R595-R597 VanDerWaalsContact C-N 3.27Å; R595-R597 PolarHBondContact O-N 2.83Å; R597-V599 VanDerWaalsContact C-N 3.33Å; R597-V599 PolarHBondContact O-N 3.41Å; R597-Y600 PolarHBondContact O-N 3.29Å; R597-N601 WeakPolarHBondContact O-CB 3.39Å; R597-N601 PolarHBondContact O-N 2.59Å; R597-N601 PolarHBondContact O-ND2 2.95Å; R597-F624 HydrophobicContact CG-CD1 4.46Å; R597-F624 HydrophobicContact CG-CE1 3.4Å; R597-F624 HydrophobicContact CG-CZ 3.91Å; R597-E625 WeakPolarHBondContact CD-OE1 3.49Å; R597-E625 VanDerWaalsContact CG-OE1 3.27Å; R597-E625 WeakPolarHBondContact CG-OE1 3.41Å; R597-E625 IonicContact CZ-OE2 2.87Å; R597-E625 IonicContact NE-OE1 2.64Å; R597-E625 PolarHBondContact NE-OE1 3.46Å; R597-E625 IonicContact NE-OE2 2.84Å; R597-E625 PolarHBondContact NE-OE2 2.94Å; R597-E625 IonicContact NH2-OE2 3.2Å; R597-N630 PolarHBondContact NH2-ND2 3.34Å
598	Q	91.4	Very high	89.5	Confident	128 Å²	128	58.3 Å²	58.3	60%	0.598	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-43.1	178.8	-68	169.1	20.7	0	0	111.1	D594 R595 T596 N601 A602	D594-Q598 WeakPolarHBondContact O-CG 3.49Å; D594-Q598 PolarHBondContact O-N 2.71Å; D594-Q598 VanDerWaalsContact O-N 3.16Å; R595-Q598 WeakPolarHBondContact O-CA 3.37Å; R595-Q598 WeakPolarHBondContact O-CB 3.39Å; R595-Q598 PolarHBondContact O-N 2.99Å; T596-Q598 PolarHBondContact O-N 3.01Å; Q598-N601 PolarHBondContact O-N 2.98Å; Q598-A602 VanDerWaalsContact O-CB 3.27Å; Q598-A602 WeakPolarHBondContact O-CB 3.25Å; Q598-A602 PolarHBondContact O-N 3.42Å
599	V	92.5	Very high	89.3	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-47.2	177.6	175.6	0	0	0	0	111.1	W579 Y582 A583 R595 T596 R597 C603	W579-V599 HydrophobicContact CE3-CG1 3.66Å; W579-V599 HydrophobicContact CZ3-CG1 3.95Å; W579-V599 VanDerWaalsContact CZ3-O 3.28Å; W579-V599 WeakPolarHBondContact CZ3-O 3.47Å; Y582-V599 HydrophobicContact CD1-CB 4.31Å; Y582-V599 HydrophobicContact CD1-CG1 3.57Å; Y582-V599 HydrophobicContact CD1-CG2 3.66Å; Y582-V599 HydrophobicContact CE1-CB 4.44Å; Y582-V599 HydrophobicContact CE1-CG1 4.17Å; Y582-V599 HydrophobicContact CE1-CG2 3.39Å; Y582-V599 HydrophobicContact CE2-CG2 4.3Å; Y582-V599 HydrophobicContact CG-CG1 4.02Å; Y582-V599 HydrophobicContact CG-CG2 4.24Å; A583-V599 HydrophobicContact CB-CG1 4Å; R595-V599 HydrophobicContact CG-CG2 4.47Å; R595-V599 WeakPolarHBondContact O-CG2 3.38Å; R595-V599 PolarHBondContact O-N 3.1Å; T596-V599 PolarHBondContact O-N 2.71Å; R597-V599 VanDerWaalsContact C-N 3.33Å; R597-V599 PolarHBondContact O-N 3.41Å; V599-C603 WeakPolarHBondContact O-CB 3.49Å; V599-C603 PolarHBondContact O-N 3.43Å
600	Y	93.2	Very high	89	Confident	5 Å²	5	60 Å²	60	2%	0.02	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.8	-80.4	-61.7	0	0	0	112.8	A583 T596 R597 C603 I604 I617 M620 F621 F624	A583-Y600 HydrophobicContact CB-CD1 4.4Å; A583-Y600 HydrophobicContact CB-CD2 4.27Å; A583-Y600 HydrophobicContact CB-CE1 3.88Å; A583-Y600 HydrophobicContact CB-CE2 3.73Å; T596-Y600 HydrophobicContact CG2-CD2 3.83Å; T596-Y600 HydrophobicContact CG2-CE2 3.57Å; T596-Y600 VanDerWaalsContact O-CD2 3.27Å; T596-Y600 WeakPolarHBondContact O-CD2 3.26Å; T596-Y600 PolarHBondContact O-N 3.14Å; R597-Y600 PolarHBondContact O-N 3.29Å; Y600-C603 WeakPolarHBondContact O-CB 3.36Å; Y600-C603 PolarHBondContact O-N 2.91Å; Y600-I604 WeakPolarHBondContact O-CG1 3.28Å; Y600-I604 PolarHBondContact O-N 3.33Å; Y600-I617 HydrophobicContact CD1-CG2 4.43Å; Y600-M620 HydrophobicContact CE1-CB 4.19Å; Y600-F621 VanDerWaalsContact CB-CD2 3.42Å; Y600-F621 HydrophobicContact CD1-CB 3.84Å; Y600-F621 HydrophobicContact CD1-CD2 4.34Å; Y600-F621 HydrophobicContact CD1-CG 4.22Å; Y600-F621 HydrophobicContact CD2-CB 4.43Å; Y600-F621 AromaticContact CD2-CD2 3.57Å; Y600-F621 HydrophobicContact CD2-CD2 3.57Å; Y600-F621 HydrophobicContact CD2-CE2 4.19Å; Y600-F621 HydrophobicContact CD2-CG 4.26Å; Y600-F621 HydrophobicContact CE1-CB 4.3Å; Y600-F621 HydrophobicContact CE2-CD2 4.41Å; Y600-F621 HydrophobicContact CG-CB 3.93Å; Y600-F621 AromaticContact CG-CD2 3.54Å; Y600-F621 HydrophobicContact CG-CD2 3.54Å; Y600-F621 HydrophobicContact CG-CE2 4.21Å; Y600-F621 AromaticContact CG-CG 3.81Å; Y600-F621 HydrophobicContact CG-CG 3.81Å; Y600-F624 HydrophobicContact CD2-CD1 4.31Å; Y600-F624 HydrophobicContact CD2-CG 4.32Å; Y600-F624 HydrophobicContact CE2-CB 3.89Å; Y600-F624 HydrophobicContact CE2-CD1 4.39Å; Y600-F624 HydrophobicContact CE2-CD2 4.41Å; Y600-F624 AromaticContact CE2-CG 3.95Å; Y600-F624 HydrophobicContact CE2-CG 3.95Å
601	N	91.9	Very high	88.8	Confident	76 Å²	76	65.8 Å²	65.8	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-46.7	178.2	-77.6	-42.8	0	0	0	111.5	R597 Q598 C603 I604 E605	R597-N601 WeakPolarHBondContact O-CB 3.39Å; R597-N601 PolarHBondContact O-N 2.59Å; R597-N601 PolarHBondContact O-ND2 2.95Å; Q598-N601 PolarHBondContact O-N 2.98Å; N601-C603 VanDerWaalsContact C-N 3.33Å; N601-C603 PolarHBondContact O-N 3.46Å; N601-I604 PolarHBondContact O-N 2.74Å; N601-I604 VanDerWaalsContact O-N 3.17Å; N601-E605 WeakPolarHBondContact O-CG 3.46Å; N601-E605 PolarHBondContact O-N 2.97Å
602	A	92.2	Very high	88.6	Confident	40 Å²	40	58.9 Å²	58.9	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-42	176.8	0	0	0	0	0	111.9	W579 Q598 I604 E605 L606	W579-A602 HydrophobicContact CH2-CB 3.75Å; W579-A602 HydrophobicContact CZ3-CB 3.85Å; Q598-A602 VanDerWaalsContact O-CB 3.27Å; Q598-A602 WeakPolarHBondContact O-CB 3.25Å; Q598-A602 PolarHBondContact O-N 3.42Å; A602-I604 VanDerWaalsContact C-N 3.34Å; A602-I604 PolarHBondContact O-N 3.09Å; A602-E605 PolarHBondContact O-N 3.11Å; A602-L606 WeakPolarHBondContact O-CB 3.24Å; A602-L606 PolarHBondContact O-N 3.08Å; A602-L606 VanDerWaalsContact O-N 3.11Å
603	C	91.3	Very high	88.2	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-45.9	174.7	-171.6	0	0	0	0	111.6	W579 V599 Y600 N601 L606 L607	W579-C603 HydrophobicContact CB-CB 4.22Å; W579-C603 VanDerWaalsContact CB-SG 3.57Å; W579-C603 HydrophobicContact CD2-CB 3.7Å; W579-C603 HydrophobicContact CE3-CB 3.6Å; W579-C603 HydrophobicContact CG-CB 3.99Å; W579-C603 VanDerWaalsContact CG-SG 3.52Å; W579-C603 HydrophobicContact CZ3-CB 4.22Å; V599-C603 WeakPolarHBondContact O-CB 3.49Å; V599-C603 PolarHBondContact O-N 3.43Å; Y600-C603 WeakPolarHBondContact O-CB 3.36Å; Y600-C603 PolarHBondContact O-N 2.91Å; N601-C603 VanDerWaalsContact C-N 3.33Å; N601-C603 PolarHBondContact O-N 3.46Å; C603-L606 PolarHBondContact O-N 3.03Å; C603-L607 WeakPolarHBondContact O-CD1 3.27Å; C603-L607 WeakPolarHBondContact O-CG 3.46Å; C603-L607 PolarHBondContact O-N 3.18Å
604	I	89.6	Confident	88	Confident	13 Å²	13	57 Å²	57	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-37.8	-178.7	-72.9	165.5	0	0	0	111.8	Y600 N601 A602 H609 I617 W618 F621	Y600-I604 WeakPolarHBondContact O-CG1 3.28Å; Y600-I604 PolarHBondContact O-N 3.33Å; N601-I604 PolarHBondContact O-N 2.74Å; N601-I604 VanDerWaalsContact O-N 3.17Å; A602-I604 VanDerWaalsContact C-N 3.34Å; A602-I604 PolarHBondContact O-N 3.09Å; I604-H609 PolarHBondContact O-NE2 3.23Å; I604-I617 HydrophobicContact CG1-CG2 4.38Å; I604-W618 HydrophobicContact CB-CH2 4.45Å; I604-W618 HydrophobicContact CD1-CD2 4.42Å; I604-W618 HydrophobicContact CD1-CE3 3.86Å; I604-W618 HydrophobicContact CD1-CH2 4.15Å; I604-W618 HydrophobicContact CD1-CZ3 3.72Å; I604-W618 HydrophobicContact CG1-CE3 4.5Å; I604-W618 HydrophobicContact CG1-CH2 4.31Å; I604-W618 HydrophobicContact CG1-CZ2 4.44Å; I604-W618 HydrophobicContact CG1-CZ3 4.33Å; I604-W618 HydrophobicContact CG2-CH2 3.32Å; I604-W618 HydrophobicContact CG2-CZ2 3.68Å; I604-W618 HydrophobicContact CG2-CZ3 3.99Å; I604-F621 HydrophobicContact CD1-CD1 3.36Å; I604-F621 HydrophobicContact CD1-CE1 3.81Å; I604-F621 HydrophobicContact CD1-CG 4.33Å
605	E	88.3	Confident	87.8	Confident	166 Å²	166	53.3 Å²	53.3	78%	0.776	26%	0.257	S	S	*	.	H	α-helix	trans	-68.4	-37.5	177.7	-72.8	-177.7	173.2	0	0	112.6	N601 A602	N601-E605 WeakPolarHBondContact O-CG 3.46Å; N601-E605 PolarHBondContact O-N 2.97Å; A602-E605 PolarHBondContact O-N 3.11Å
606	L	88.7	Confident	87.9	Confident	66 Å²	66	55.3 Å²	55.3	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-70.1	-31.5	179.8	-167.9	89.1	0	0	0	112.8	V563 W572 Y575 W579 A602 C603 P608	V563-L606 HydrophobicContact CG2-CD1 4.2Å; V563-L606 HydrophobicContact CG2-CD2 4.41Å; W572-L606 HydrophobicContact CH2-CD2 4.39Å; W572-L606 HydrophobicContact CH2-CG 4.42Å; W572-L606 HydrophobicContact CZ3-CD2 4.14Å; W572-L606 HydrophobicContact CZ3-CG 4.46Å; Y575-L606 HydrophobicContact CE1-CD2 3.48Å; Y575-L606 VanDerWaalsContact CE1-CD2 3.48Å; Y575-L606 VanDerWaalsContact OH-CD2 3.28Å; Y575-L606 WeakPolarHBondContact OH-CD2 3.4Å; W579-L606 HydrophobicContact CZ2-CD2 4.44Å; A602-L606 WeakPolarHBondContact O-CB 3.24Å; A602-L606 PolarHBondContact O-N 3.08Å; A602-L606 VanDerWaalsContact O-N 3.11Å; C603-L606 PolarHBondContact O-N 3.03Å; L606-P608 WeakPolarHBondContact O-CD 3.47Å
607	L	85.7	Confident	87.8	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.052	27%	0.268	C	S	.	.	S	Bend	trans	-68.7	125.7	-174.3	-75.2	164	0	0	0	112.4	W572 I576 C603 H609 F612 F614 I617	W572-L607 HydrophobicContact CE3-CD2 3.68Å; W572-L607 HydrophobicContact CZ3-CD2 3.85Å; I576-L607 HydrophobicContact CD1-CD2 3.6Å; I576-L607 HydrophobicContact CG1-CD2 3.91Å; C603-L607 WeakPolarHBondContact O-CD1 3.27Å; C603-L607 WeakPolarHBondContact O-CG 3.46Å; C603-L607 PolarHBondContact O-N 3.18Å; L607-H609 VanDerWaalsContact C-N 3.28Å; L607-H609 PolarHBondContact O-CD2 3.15Å; L607-H609 PolarHBondContact O-N 3.02Å; L607-H609 PolarHBondContact O-NE2 3.47Å; L607-F612 HydrophobicContact CD2-CE2 4.08Å; L607-F614 HydrophobicContact CD2-CD2 4.11Å; L607-I617 HydrophobicContact CD1-CD1 3.41Å; L607-I617 VanDerWaalsContact CD1-CD1 3.41Å
608	P	83.5	Confident	87.8	Confident	23 Å²	23	53.5 Å²	53.5	15%	0.149	26%	0.26	C	S	.	.			trans	-78.6	76.9	176.1	32.2	-35.2	0	0	0	110.9	Q567 W572 L606 K610 K611 F612	Q567-P608 HydrophobicContact CG-CG 4.29Å; W572-P608 HydrophobicContact CH2-CG 4.23Å; W572-P608 HydrophobicContact CZ2-CG 4.18Å; L606-P608 WeakPolarHBondContact O-CD 3.47Å; P608-K610 PolarHBondContact O-N 3.26Å; P608-K611 PolarHBondContact O-N 3.29Å; P608-F612 HydrophobicContact CG-CE1 3.67Å; P608-F612 HydrophobicContact CG-CE2 3.99Å; P608-F612 HydrophobicContact CG-CZ 3.33Å; P608-F612 PolarHBondContact O-N 3.02Å
609	H	83.6	Confident	87.8	Confident	27 Å²	27	49 Å²	49	13%	0.125	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.7	-177.3	-61.7	-70.8	0	0	0	114.2	I604 L607 K611 F612 W618	I604-H609 PolarHBondContact O-NE2 3.23Å; L607-H609 VanDerWaalsContact C-N 3.28Å; L607-H609 PolarHBondContact O-CD2 3.15Å; L607-H609 PolarHBondContact O-N 3.02Å; L607-H609 PolarHBondContact O-NE2 3.47Å; H609-K611 VanDerWaalsContact C-N 3.35Å; H609-F612 WeakPolarHBondContact CA-O 3.44Å; H609-W618 AromaticContact CE1-CE2 3.88Å; H609-W618 AromaticContact CE1-CZ2 3.52Å; H609-W618 AromaticContact CE1-NE1 3.74Å; H609-W618 AromaticContact ND1-NE1 3.88Å; H609-W618 AromaticContact NE2-CZ2 3.94Å
610	K	80.7	Confident	87.8	Confident	218 Å²	218	50.3 Å²	50.3	95%	0.948	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-29.9	177	-63.3	-173	179.9	-177.2	0	113.5	P608	P608-K610 PolarHBondContact O-N 3.26Å
611	K	82.3	Confident	87.8	Confident	140 Å²	140	50.3 Å²	50.3	61%	0.609	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-41.9	-175.8	-72	-171.4	175.2	-179.6	0	112.6	Q567 P608 H609	Q567-K611 HydrophobicContact CB-CD 3.76Å; Q567-K611 VanDerWaalsContact OE1-CD 3.24Å; P608-K611 PolarHBondContact O-N 3.29Å; H609-K611 VanDerWaalsContact C-N 3.35Å
612	F	83.9	Confident	87.8	Confident	16 Å²	16	46.7 Å²	46.7	7%	0.07	23%	0.227	C	C	.	.			trans	-149.9	161.3	177.3	55.9	-106.5	0	0	0	109.6	K569 W572 L607 P608 H609 F614	K569-F612 HydrophobicContact CB-CB 4.08Å; K569-F612 HydrophobicContact CB-CD1 4.15Å; K569-F612 HydrophobicContact CB-CG 4.13Å; K569-F612 HydrophobicContact CD-CB 4.19Å; K569-F612 HydrophobicContact CG-CB 4.14Å; K569-F612 HydrophobicContact CG-CG 4.3Å; W572-F612 HydrophobicContact CB-CE1 4.45Å; W572-F612 HydrophobicContact CB-CE2 4.28Å; W572-F612 HydrophobicContact CB-CZ 3.86Å; W572-F612 AromaticContact CD1-CE1 3.97Å; W572-F612 AromaticContact CD1-CZ 3.87Å; W572-F612 HydrophobicContact CD2-CE1 4.21Å; W572-F612 HydrophobicContact CD2-CE2 4.23Å; W572-F612 AromaticContact CD2-CZ 3.4Å; W572-F612 HydrophobicContact CD2-CZ 3.4Å; W572-F612 AromaticContact CE2-CZ 3.85Å; W572-F612 HydrophobicContact CE3-CE2 4.27Å; W572-F612 AromaticContact CE3-CZ 3.8Å; W572-F612 HydrophobicContact CE3-CZ 3.8Å; W572-F612 AromaticContact CG-CE1 3.93Å; W572-F612 HydrophobicContact CG-CE1 3.93Å; W572-F612 HydrophobicContact CG-CE2 4.24Å; W572-F612 AromaticContact CG-CZ 3.4Å; W572-F612 HydrophobicContact CG-CZ 3.4Å; W572-F612 VanDerWaalsContact CG-CZ 3.4Å; L607-F612 HydrophobicContact CD2-CE2 4.08Å; P608-F612 HydrophobicContact CG-CE1 3.67Å; P608-F612 HydrophobicContact CG-CE2 3.99Å; P608-F612 HydrophobicContact CG-CZ 3.33Å; P608-F612 PolarHBondContact O-N 3.02Å; H609-F612 WeakPolarHBondContact CA-O 3.44Å; F612-F614 AromaticContact CD2-CD2 3.48Å; F612-F614 HydrophobicContact CD2-CD2 3.48Å; F612-F614 VanDerWaalsContact CD2-CD2 3.48Å; F612-F614 AromaticContact CD2-CE2 3.16Å; F612-F614 HydrophobicContact CD2-CE2 3.16Å; F612-F614 HydrophobicContact CD2-CZ 4.23Å; F612-F614 AromaticContact CE2-CD2 3.64Å; F612-F614 HydrophobicContact CE2-CD2 3.64Å; F612-F614 AromaticContact CE2-CE2 3.23Å; F612-F614 HydrophobicContact CE2-CE2 3.23Å; F612-F614 HydrophobicContact CE2-CZ 4.41Å; F612-F614 HydrophobicContact CG-CE2 4.17Å; F612-F614 HydrophobicContact CZ-CE2 4.21Å
613	T	80.8	Confident	87.8	Confident	24 Å²	24	48.1 Å²	48.1	15%	0.147	23%	0.227	C	C	.	.			trans	-132.1	138.1	-173.9	63.1	0	0	0	0	110.5	C645 K647	T613-C645 HydrophobicContact CG2-CB 3.26Å; T613-K647 PolarHBondContact O-NZ 3.33Å; T613-K647 WeakPolarHBondContact OG1-CD 3.28Å; T613-K647 WeakPolarHBondContact OG1-CE 3.41Å; T613-K647 PolarHBondContact OG1-NZ 2.84Å
614	F	84.9	Confident	87.9	Confident	29 Å²	29	47.9 Å²	47.9	13%	0.127	23%	0.226	C	C	.	.			trans	-120.6	88.1	-178	-76.9	-79.2	0	0	0	110.5	K569 W572 R573 I576 L607 F612 K616 I617	K569-F614 HydrophobicContact CG-CE1 4.45Å; K569-F614 HydrophobicContact CG-CE2 4.39Å; K569-F614 HydrophobicContact CG-CZ 3.82Å; W572-F614 HydrophobicContact CB-CE2 4.15Å; W572-F614 HydrophobicContact CB-CZ 4.25Å; R573-F614 HydrophobicContact CG-CE1 4.06Å; R573-F614 HydrophobicContact CG-CZ 4.22Å; I576-F614 HydrophobicContact CD1-CB 4.34Å; I576-F614 HydrophobicContact CD1-CD1 3.72Å; I576-F614 HydrophobicContact CD1-CD2 3.13Å; I576-F614 HydrophobicContact CD1-CE1 3.65Å; I576-F614 HydrophobicContact CD1-CE2 3.01Å; I576-F614 HydrophobicContact CD1-CG 3.47Å; I576-F614 VanDerWaalsContact CD1-CG 3.47Å; I576-F614 HydrophobicContact CD1-CZ 3.31Å; L607-F614 HydrophobicContact CD2-CD2 4.11Å; F612-F614 AromaticContact CD2-CD2 3.48Å; F612-F614 HydrophobicContact CD2-CD2 3.48Å; F612-F614 VanDerWaalsContact CD2-CD2 3.48Å; F612-F614 AromaticContact CD2-CE2 3.16Å; F612-F614 HydrophobicContact CD2-CE2 3.16Å; F612-F614 HydrophobicContact CD2-CZ 4.23Å; F612-F614 AromaticContact CE2-CD2 3.64Å; F612-F614 HydrophobicContact CE2-CD2 3.64Å; F612-F614 AromaticContact CE2-CE2 3.23Å; F612-F614 HydrophobicContact CE2-CE2 3.23Å; F612-F614 HydrophobicContact CE2-CZ 4.41Å; F612-F614 HydrophobicContact CG-CE2 4.17Å; F612-F614 HydrophobicContact CZ-CE2 4.21Å; F614-K616 PolarHBondContact O-N 2.94Å; F614-I617 HydrophobicContact CB-CD1 3.88Å; F614-I617 HydrophobicContact CB-CG1 4.32Å; F614-I617 PolarHBondContact O-N 3.39Å
615	A	87.3	Confident	88	Confident	16 Å²	16	47.6 Å²	47.6	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-33.5	-179	0	0	0	0	0	113.5	I617 W618 L619 K649 L650	A615-I617 PolarHBondContact O-N 3.43Å; A615-W618 PolarHBondContact O-N 3.07Å; A615-L619 WeakPolarHBondContact O-CG 3.45Å; A615-L619 PolarHBondContact O-N 3.19Å; A615-L619 VanDerWaalsContact O-N 3.1Å; A615-K649 HydrophobicContact CB-CB 4.44Å; A615-L650 HydrophobicContact CB-CD1 4.2Å; A615-L650 HydrophobicContact CB-CD2 3.98Å; A615-L650 HydrophobicContact CB-CG 3.71Å
616	K	89.1	Confident	88.2	Confident	105 Å²	105	42.5 Å²	42.5	46%	0.457	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-41.9	-176.6	-174	172.4	178.2	177.7	0	112.9	I580 F614 L619 M620	I580-K616 HydrophobicContact CD1-CD 4.35Å; F614-K616 PolarHBondContact O-N 2.94Å; K616-L619 PolarHBondContact O-N 2.93Å; K616-M620 HydrophobicContact CG-CG 4.44Å; K616-M620 HydrophobicContact CG-SD 4.17Å; K616-M620 WeakPolarHBondContact O-CB 3.36Å; K616-M620 VanDerWaalsContact O-CG 3.29Å; K616-M620 WeakPolarHBondContact O-CG 3.39Å; K616-M620 PolarHBondContact O-N 2.93Å
617	I	90.7	Very high	88.2	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-44.7	-177.7	-58.6	169.3	0	0	0	110.4	I576 Y600 I604 L607 F614 A615 L619 M620 F621	I576-I617 HydrophobicContact CB-CD1 4.32Å; I576-I617 HydrophobicContact CD1-CD1 4.1Å; I576-I617 HydrophobicContact CG1-CD1 4.02Å; I576-I617 HydrophobicContact CG2-CD1 3.4Å; I576-I617 VanDerWaalsContact CG2-CD1 3.4Å; I576-I617 HydrophobicContact CG2-CG1 3.76Å; Y600-I617 HydrophobicContact CD1-CG2 4.43Å; I604-I617 HydrophobicContact CG1-CG2 4.38Å; L607-I617 HydrophobicContact CD1-CD1 3.41Å; L607-I617 VanDerWaalsContact CD1-CD1 3.41Å; F614-I617 HydrophobicContact CB-CD1 3.88Å; F614-I617 HydrophobicContact CB-CG1 4.32Å; F614-I617 PolarHBondContact O-N 3.39Å; A615-I617 PolarHBondContact O-N 3.43Å; I617-L619 PolarHBondContact O-N 3.09Å; I617-M620 PolarHBondContact O-N 3.29Å; I617-F621 WeakPolarHBondContact O-CB 3.41Å; I617-F621 PolarHBondContact O-N 3.2Å
618	W	92.2	Very high	88.4	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-44.4	177.8	-69.3	109.5	0	0	0	112.4	I604 H609 A615 F621 A622 I637 V640 A641 K644 C645 L650	I604-W618 HydrophobicContact CB-CH2 4.45Å; I604-W618 HydrophobicContact CD1-CD2 4.42Å; I604-W618 HydrophobicContact CD1-CE3 3.86Å; I604-W618 HydrophobicContact CD1-CH2 4.15Å; I604-W618 HydrophobicContact CD1-CZ3 3.72Å; I604-W618 HydrophobicContact CG1-CE3 4.5Å; I604-W618 HydrophobicContact CG1-CH2 4.31Å; I604-W618 HydrophobicContact CG1-CZ2 4.44Å; I604-W618 HydrophobicContact CG1-CZ3 4.33Å; I604-W618 HydrophobicContact CG2-CH2 3.32Å; I604-W618 HydrophobicContact CG2-CZ2 3.68Å; I604-W618 HydrophobicContact CG2-CZ3 3.99Å; H609-W618 AromaticContact CE1-CE2 3.88Å; H609-W618 AromaticContact CE1-CZ2 3.52Å; H609-W618 AromaticContact CE1-NE1 3.74Å; H609-W618 AromaticContact ND1-NE1 3.88Å; H609-W618 AromaticContact NE2-CZ2 3.94Å; A615-W618 PolarHBondContact O-N 3.07Å; W618-F621 PolarHBondContact O-N 2.77Å; W618-A622 WeakPolarHBondContact O-CB 3.44Å; W618-A622 PolarHBondContact O-N 2.92Å; W618-I637 HydrophobicContact CE3-CG2 3.72Å; W618-I637 HydrophobicContact CZ3-CG2 4.08Å; W618-V640 HydrophobicContact CH2-CG1 3.92Å; W618-V640 HydrophobicContact CZ3-CG1 4.25Å; W618-A641 HydrophobicContact CB-CB 3.84Å; W618-A641 HydrophobicContact CD2-CB 3.44Å; W618-A641 VanDerWaalsContact CD2-CB 3.44Å; W618-A641 HydrophobicContact CE3-CB 3.58Å; W618-A641 HydrophobicContact CG-CB 3.57Å; W618-A641 HydrophobicContact CZ3-CB 4.23Å; W618-K644 HydrophobicContact CH2-CD 4.32Å; W618-K644 HydrophobicContact CZ2-CD 4.2Å; W618-C645 PolarHBondContact NE1-SG 3.42Å; W618-C645 VanDerWaalsContact NE1-SG 3.4Å; W618-L650 HydrophobicContact CB-CD2 3.77Å; W618-L650 HydrophobicContact CG-CD2 4.48Å
619	L	92	Very high	88.7	Confident	34 Å²	34	50.6 Å²	50.6	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-44.3	175.5	-67.6	174.5	0	0	0	111.3	A615 K616 I617 F621 A622 H623 L638 L650	A615-L619 WeakPolarHBondContact O-CG 3.45Å; A615-L619 PolarHBondContact O-N 3.19Å; A615-L619 VanDerWaalsContact O-N 3.1Å; K616-L619 PolarHBondContact O-N 2.93Å; I617-L619 PolarHBondContact O-N 3.09Å; L619-F621 VanDerWaalsContact C-N 3.35Å; L619-F621 PolarHBondContact O-N 3.41Å; L619-A622 PolarHBondContact O-N 3.07Å; L619-H623 WeakPolarHBondContact O-CB 3.38Å; L619-H623 PolarHBondContact O-CD2 3.43Å; L619-H623 PolarHBondContact O-N 2.89Å; L619-L638 HydrophobicContact CD2-CD2 4.03Å; L619-L650 HydrophobicContact CD2-CD2 4.25Å; L619-L650 HydrophobicContact CG-CD2 4.1Å
620	M	91.9	Very high	89	Confident	33 Å²	33	51.8 Å²	51.8	16%	0.163	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-41.5	177.4	-74.2	-172.6	70.6	0	0	112.3	I580 L584 Y600 K616 I617 H623 F624	I580-M620 HydrophobicContact CD1-SD 4.34Å; I580-M620 HydrophobicContact CG1-SD 4.28Å; I580-M620 HydrophobicContact CG2-CE 3.74Å; I580-M620 HydrophobicContact CG2-SD 3.85Å; L584-M620 HydrophobicContact CD1-CE 4.19Å; L584-M620 HydrophobicContact CD2-CE 3.86Å; L584-M620 HydrophobicContact CG-CE 4.05Å; Y600-M620 HydrophobicContact CE1-CB 4.19Å; K616-M620 HydrophobicContact CG-CG 4.44Å; K616-M620 HydrophobicContact CG-SD 4.17Å; K616-M620 WeakPolarHBondContact O-CB 3.36Å; K616-M620 VanDerWaalsContact O-CG 3.29Å; K616-M620 WeakPolarHBondContact O-CG 3.39Å; K616-M620 PolarHBondContact O-N 2.93Å; I617-M620 PolarHBondContact O-N 3.29Å; M620-H623 PolarHBondContact O-N 2.95Å; M620-F624 WeakPolarHBondContact O-CB 3.42Å; M620-F624 PolarHBondContact O-N 3.43Å
621	F	93.4	Very high	89.4	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.022	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-40.6	177.4	-173.6	-155.1	0	0	0	112.1	Y600 I604 I617 W618 L619 F624 E625 I637	Y600-F621 VanDerWaalsContact CB-CD2 3.42Å; Y600-F621 HydrophobicContact CD1-CB 3.84Å; Y600-F621 HydrophobicContact CD1-CD2 4.34Å; Y600-F621 HydrophobicContact CD1-CG 4.22Å; Y600-F621 HydrophobicContact CD2-CB 4.43Å; Y600-F621 AromaticContact CD2-CD2 3.57Å; Y600-F621 HydrophobicContact CD2-CD2 3.57Å; Y600-F621 HydrophobicContact CD2-CE2 4.19Å; Y600-F621 HydrophobicContact CD2-CG 4.26Å; Y600-F621 HydrophobicContact CE1-CB 4.3Å; Y600-F621 HydrophobicContact CE2-CD2 4.41Å; Y600-F621 HydrophobicContact CG-CB 3.93Å; Y600-F621 AromaticContact CG-CD2 3.54Å; Y600-F621 HydrophobicContact CG-CD2 3.54Å; Y600-F621 HydrophobicContact CG-CE2 4.21Å; Y600-F621 AromaticContact CG-CG 3.81Å; Y600-F621 HydrophobicContact CG-CG 3.81Å; I604-F621 HydrophobicContact CD1-CD1 3.36Å; I604-F621 HydrophobicContact CD1-CE1 3.81Å; I604-F621 HydrophobicContact CD1-CG 4.33Å; I617-F621 WeakPolarHBondContact O-CB 3.41Å; I617-F621 PolarHBondContact O-N 3.2Å; W618-F621 PolarHBondContact O-N 2.77Å; L619-F621 VanDerWaalsContact C-N 3.35Å; L619-F621 PolarHBondContact O-N 3.41Å; F621-F624 HydrophobicContact CD2-CD1 4.06Å; F621-F624 HydrophobicContact CE2-CD1 4.19Å; F621-F624 WeakPolarHBondContact O-CB 3.28Å; F621-F624 PolarHBondContact O-N 3.14Å; F621-E625 HydrophobicContact CD2-CG 4.47Å; F621-E625 HydrophobicContact CE2-CG 4.15Å; F621-E625 PolarHBondContact O-N 3.41Å; F621-I637 HydrophobicContact CB-CG2 4.34Å; F621-I637 HydrophobicContact CD1-CB 4.35Å; F621-I637 HydrophobicContact CD1-CD1 3.53Å; F621-I637 HydrophobicContact CD1-CG1 3.84Å; F621-I637 HydrophobicContact CD1-CG2 3.54Å; F621-I637 HydrophobicContact CD2-CD1 4.08Å; F621-I637 HydrophobicContact CE1-CD1 3.34Å; F621-I637 HydrophobicContact CE1-CG1 3.63Å; F621-I637 HydrophobicContact CE1-CG2 4.19Å; F621-I637 HydrophobicContact CE2-CD1 3.88Å; F621-I637 HydrophobicContact CG-CD1 3.92Å; F621-I637 HydrophobicContact CG-CG2 4.17Å; F621-I637 HydrophobicContact CZ-CD1 3.53Å; F621-I637 HydrophobicContact CZ-CG1 4.25Å
622	A	92.1	Very high	89.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-43	175.1	0	0	0	0	0	112.3	W618 L619 F624 E625 I626 A634 L638	W618-A622 WeakPolarHBondContact O-CB 3.44Å; W618-A622 PolarHBondContact O-N 2.92Å; L619-A622 PolarHBondContact O-N 3.07Å; A622-F624 VanDerWaalsContact C-N 3.29Å; A622-F624 PolarHBondContact O-N 3.35Å; A622-E625 PolarHBondContact O-N 2.88Å; A622-I626 WeakPolarHBondContact O-CG1 3.42Å; A622-I626 PolarHBondContact O-N 3.24Å; A622-A634 HydrophobicContact CB-CB 4.44Å; A622-L638 HydrophobicContact CB-CD1 3.66Å; A622-L638 HydrophobicContact CB-CD2 3.67Å; A622-L638 HydrophobicContact CB-CG 3.51Å
623	H	91.9	Very high	90.3	Very high	70 Å²	70	43.1 Å²	43.1	32%	0.324	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-34	174.3	-72.8	-59.1	0	0	0	112.4	L619 M620 I626 R627	L619-H623 WeakPolarHBondContact O-CB 3.38Å; L619-H623 PolarHBondContact O-CD2 3.43Å; L619-H623 PolarHBondContact O-N 2.89Å; M620-H623 PolarHBondContact O-N 2.95Å; H623-I626 PolarHBondContact O-N 3.04Å; H623-R627 WeakPolarHBondContact O-CG 3.36Å; H623-R627 PolarHBondContact O-N 3.44Å
624	F	93.1	Very high	90.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-50.2	172.4	164.5	-92.2	0	0	0	111.3	E587 P593 T596 R597 Y600 M620 F621 A622 I626 R627 Q628	E587-F624 HydrophobicContact CG-CD2 4.21Å; E587-F624 HydrophobicContact CG-CE2 4.4Å; P593-F624 HydrophobicContact CB-CZ 4.16Å; P593-F624 WeakPolarHBondContact O-CZ 3.43Å; T596-F624 HydrophobicContact CG2-CD2 3.53Å; T596-F624 HydrophobicContact CG2-CE1 4.4Å; T596-F624 HydrophobicContact CG2-CE2 3.35Å; T596-F624 HydrophobicContact CG2-CG 4.12Å; T596-F624 HydrophobicContact CG2-CZ 3.83Å; R597-F624 HydrophobicContact CG-CD1 4.46Å; R597-F624 HydrophobicContact CG-CE1 3.4Å; R597-F624 HydrophobicContact CG-CZ 3.91Å; Y600-F624 HydrophobicContact CD2-CD1 4.31Å; Y600-F624 HydrophobicContact CD2-CG 4.32Å; Y600-F624 HydrophobicContact CE2-CB 3.89Å; Y600-F624 HydrophobicContact CE2-CD1 4.39Å; Y600-F624 HydrophobicContact CE2-CD2 4.41Å; Y600-F624 AromaticContact CE2-CG 3.95Å; Y600-F624 HydrophobicContact CE2-CG 3.95Å; M620-F624 WeakPolarHBondContact O-CB 3.42Å; M620-F624 PolarHBondContact O-N 3.43Å; F621-F624 HydrophobicContact CD2-CD1 4.06Å; F621-F624 HydrophobicContact CE2-CD1 4.19Å; F621-F624 WeakPolarHBondContact O-CB 3.28Å; F621-F624 PolarHBondContact O-N 3.14Å; A622-F624 VanDerWaalsContact C-N 3.29Å; A622-F624 PolarHBondContact O-N 3.35Å; F624-I626 PolarHBondContact O-N 3.01Å; F624-R627 WeakPolarHBondContact O-CB 3.28Å; F624-R627 PolarHBondContact O-N 3.28Å; F624-Q628 HydrophobicContact CD2-CG 4.44Å; F624-Q628 HydrophobicContact CE1-CG 3.92Å; F624-Q628 HydrophobicContact CE2-CG 3.86Å; F624-Q628 HydrophobicContact CZ-CG 3.56Å; F624-Q628 WeakPolarHBondContact O-CG 3.38Å; F624-Q628 PolarHBondContact O-N 3.33Å
625	E	92.7	Very high	91.1	Very high	7 Å²	7	42 Å²	42	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-30.6	177.6	-73	-60.1	164.4	0	0	112.5	R597 F621 A622 Q628 G629 N630 D633 A634 I637	R597-E625 WeakPolarHBondContact CD-OE1 3.49Å; R597-E625 VanDerWaalsContact CG-OE1 3.27Å; R597-E625 WeakPolarHBondContact CG-OE1 3.41Å; R597-E625 IonicContact CZ-OE2 2.87Å; R597-E625 IonicContact NE-OE1 2.64Å; R597-E625 PolarHBondContact NE-OE1 3.46Å; R597-E625 IonicContact NE-OE2 2.84Å; R597-E625 PolarHBondContact NE-OE2 2.94Å; R597-E625 IonicContact NH2-OE2 3.2Å; F621-E625 HydrophobicContact CD2-CG 4.47Å; F621-E625 HydrophobicContact CE2-CG 4.15Å; F621-E625 PolarHBondContact O-N 3.41Å; A622-E625 PolarHBondContact O-N 2.88Å; E625-Q628 CarbonylContact O-C 3.49Å; E625-Q628 PolarHBondContact O-N 3.19Å; E625-G629 PolarHBondContact O-N 3.31Å; E625-G629 VanDerWaalsContact O-N 3.14Å; E625-N630 HydrophobicContact CB-CB 4.3Å; E625-N630 PolarHBondContact O-N 3.06Å; E625-N630 VanDerWaalsContact OE2-CB 3.28Å; E625-N630 WeakPolarHBondContact OE2-CB 3.49Å; E625-N630 PolarHBondContact OE2-ND2 2.98Å; E625-D633 HydrophobicContact CG-CB 4.42Å; E625-A634 HydrophobicContact CB-CB 3.98Å; E625-I637 HydrophobicContact CG-CD1 3.64Å
626	I	91.6	Very high	91.4	Very high	58 Å²	58	47.3 Å²	47.3	30%	0.297	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-44.2	171.1	-73	167.7	0	0	0	111.6	A622 H623 F624 Q628 G629 A634 L657	A622-I626 WeakPolarHBondContact O-CG1 3.42Å; A622-I626 PolarHBondContact O-N 3.24Å; H623-I626 PolarHBondContact O-N 3.04Å; F624-I626 PolarHBondContact O-N 3.01Å; I626-Q628 PolarHBondContact O-N 3.43Å; I626-G629 PolarHBondContact O-N 3.43Å; I626-A634 HydrophobicContact CD1-CB 4.38Å; I626-A634 HydrophobicContact CG1-CB 3.86Å; I626-L657 HydrophobicContact CD1-CD1 3.12Å; I626-L657 HydrophobicContact CD1-CD2 4Å; I626-L657 HydrophobicContact CD1-CG 3.43Å; I626-L657 VanDerWaalsContact CD1-CG 3.43Å; I626-L657 HydrophobicContact CG1-CD1 4.47Å
627	R	89.7	Confident	91.5	Very high	134 Å²	134	43.2 Å²	43.2	51%	0.506	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-29.6	176.2	-72.3	-174.9	-63.3	-96	7.6	112.1	E587 H623 F624 G629	E587-R627 IonicContact OE1-CZ 2.84Å; E587-R627 IonicContact OE1-NE 3.67Å; E587-R627 PolarHBondContact OE1-NE 2.87Å; E587-R627 IonicContact OE1-NH2 3.7Å; E587-R627 PolarHBondContact OE1-NH2 3.44Å; E587-R627 IonicContact OE2-CZ 3.66Å; E587-R627 IonicContact OE2-NH2 2.7Å; E587-R627 PolarHBondContact OE2-NH2 3.16Å; H623-R627 WeakPolarHBondContact O-CG 3.36Å; H623-R627 PolarHBondContact O-N 3.44Å; F624-R627 WeakPolarHBondContact O-CB 3.28Å; F624-R627 PolarHBondContact O-N 3.28Å; R627-G629 VanDerWaalsContact C-N 3.3Å
628	Q	89.9	Confident	91.5	Very high	74 Å²	74	43.1 Å²	43.1	35%	0.346	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.9	172.9	-60.7	-58.5	-44.5	0	0	114.1	P593 F624 E625 I626 N630	P593-Q628 HydrophobicContact CB-CG 4.37Å; P593-Q628 VanDerWaalsContact CB-OE1 3.29Å; F624-Q628 HydrophobicContact CD2-CG 4.44Å; F624-Q628 HydrophobicContact CE1-CG 3.92Å; F624-Q628 HydrophobicContact CE2-CG 3.86Å; F624-Q628 HydrophobicContact CZ-CG 3.56Å; F624-Q628 WeakPolarHBondContact O-CG 3.38Å; F624-Q628 PolarHBondContact O-N 3.33Å; E625-Q628 CarbonylContact O-C 3.49Å; E625-Q628 PolarHBondContact O-N 3.19Å; I626-Q628 PolarHBondContact O-N 3.43Å; Q628-N630 VanDerWaalsContact C-N 3.31Å; Q628-N630 PolarHBondContact O-N 3.21Å
629	G	88.1	Confident	91.4	Very high	61 Å²	61	44.6 Å²	44.6	63%	0.629	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	2.8	-177.9	0	0	0	0	0	115.2	E625 I626 R627 L631	E625-G629 PolarHBondContact O-N 3.31Å; E625-G629 VanDerWaalsContact O-N 3.14Å; I626-G629 PolarHBondContact O-N 3.43Å; R627-G629 VanDerWaalsContact C-N 3.3Å; G629-L631 PolarHBondContact O-N 3.08Å; G629-L631 VanDerWaalsContact O-N 3.09Å
630	N	91.1	Very high	91.4	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	25%	0.251	S	S	.	.			trans	-88.1	69.1	-177.8	-68.6	-25.2	0	0	0	112	R597 E625 Q628 T632 D633 A634	R597-N630 PolarHBondContact NH2-ND2 3.34Å; E625-N630 HydrophobicContact CB-CB 4.3Å; E625-N630 PolarHBondContact O-N 3.06Å; E625-N630 VanDerWaalsContact OE2-CB 3.28Å; E625-N630 WeakPolarHBondContact OE2-CB 3.49Å; E625-N630 PolarHBondContact OE2-ND2 2.98Å; Q628-N630 VanDerWaalsContact C-N 3.31Å; Q628-N630 PolarHBondContact O-N 3.21Å; N630-T632 VanDerWaalsContact C-N 3.27Å; N630-T632 PolarHBondContact O-N 3.33Å; N630-D633 HydrophobicContact CB-CB 4.33Å; N630-D633 PolarHBondContact O-N 3.24Å; N630-A634 PolarHBondContact O-N 3.43Å; N630-A634 VanDerWaalsContact O-N 3.1Å
631	L	89.7	Confident	91.3	Very high	48 Å²	48	44.7 Å²	44.7	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-36.4	-178.1	178.9	58.4	0	0	0	113.3	G629 D633 A634 R635 L661	G629-L631 PolarHBondContact O-N 3.08Å; G629-L631 VanDerWaalsContact O-N 3.09Å; L631-D633 VanDerWaalsContact C-N 3.28Å; L631-D633 PolarHBondContact O-N 2.85Å; L631-A634 PolarHBondContact O-N 2.74Å; L631-R635 HydrophobicContact CD1-CG 4.25Å; L631-R635 WeakPolarHBondContact O-CB 3.36Å; L631-R635 WeakPolarHBondContact O-CG 3.3Å; L631-R635 PolarHBondContact O-N 2.86Å; L631-L661 HydrophobicContact CD1-CD1 3.24Å; L631-L661 HydrophobicContact CD1-CD2 4.41Å; L631-L661 HydrophobicContact CD1-CG 4.46Å; L631-L661 HydrophobicContact CD2-CD1 3.96Å; L631-L661 HydrophobicContact CD2-CD2 4.39Å; L631-L661 HydrophobicContact CG-CD1 4.23Å
632	T	92	Very high	91.1	Very high	90 Å²	90	45.7 Å²	45.7	55%	0.552	25%	0.249	S	C	*	.	H	α-helix	trans	-61.8	-38.4	179	47.6	0	0	0	0	112.1	N630 K636	N630-T632 VanDerWaalsContact C-N 3.27Å; N630-T632 PolarHBondContact O-N 3.33Å; T632-K636 VanDerWaalsContact O-CG 3.3Å; T632-K636 WeakPolarHBondContact O-CG 3.49Å; T632-K636 PolarHBondContact O-N 3.09Å
633	D	91.5	Very high	90.8	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-80.9	-37.1	-177.3	-63.4	-29.8	0	0	0	110.9	E625 N630 L631 R635 K636 I637	E625-D633 HydrophobicContact CG-CB 4.42Å; N630-D633 HydrophobicContact CB-CB 4.33Å; N630-D633 PolarHBondContact O-N 3.24Å; L631-D633 VanDerWaalsContact C-N 3.28Å; L631-D633 PolarHBondContact O-N 2.85Å; D633-R635 VanDerWaalsContact C-N 3.3Å; D633-R635 PolarHBondContact O-N 3.41Å; D633-K636 WeakPolarHBondContact O-CB 3.49Å; D633-K636 PolarHBondContact O-N 3.43Å; D633-K636 VanDerWaalsContact O-N 3.14Å; D633-K636 IonicContact OD1-NZ 3.29Å; D633-K636 PolarHBondContact OD1-NZ 2.9Å; D633-I637 WeakPolarHBondContact O-CB 3.42Å; D633-I637 WeakPolarHBondContact O-CD1 3.44Å; D633-I637 WeakPolarHBondContact O-CG1 3.39Å; D633-I637 PolarHBondContact O-N 3.01Å
634	A	92.1	Very high	90.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54	-46.5	168.6	0	0	0	0	0	111.9	A622 E625 I626 N630 L631 I637 L638	A622-A634 HydrophobicContact CB-CB 4.44Å; E625-A634 HydrophobicContact CB-CB 3.98Å; I626-A634 HydrophobicContact CD1-CB 4.38Å; I626-A634 HydrophobicContact CG1-CB 3.86Å; N630-A634 PolarHBondContact O-N 3.43Å; N630-A634 VanDerWaalsContact O-N 3.1Å; L631-A634 PolarHBondContact O-N 2.74Å; A634-I637 PolarHBondContact O-N 3.27Å; A634-L638 WeakPolarHBondContact O-CG 3.48Å; A634-L638 PolarHBondContact O-N 3.44Å
635	R	91.8	Very high	89.8	Confident	29 Å²	29	50.9 Å²	50.9	11%	0.109	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-41.3	176.1	-75.4	174.5	168.4	160.6	-4.8	112.7	L631 D633 G639 Y654 E658 E663 R666	L631-R635 HydrophobicContact CD1-CG 4.25Å; L631-R635 WeakPolarHBondContact O-CB 3.36Å; L631-R635 WeakPolarHBondContact O-CG 3.3Å; L631-R635 PolarHBondContact O-N 2.86Å; D633-R635 VanDerWaalsContact C-N 3.3Å; D633-R635 PolarHBondContact O-N 3.41Å; R635-G639 PolarHBondContact O-N 2.89Å; R635-Y654 WeakPolarHBondContact CA-OH 3.5Å; R635-Y654 WeakPolarHBondContact CB-OH 3.37Å; R635-Y654 HydrophobicContact CG-CE2 4.18Å; R635-Y654 PolarHBondContact O-OH 3.07Å; R635-E658 WeakPolarHBondContact CD-OE1 3.46Å; R635-E658 WeakPolarHBondContact CG-OE1 3.49Å; R635-E658 IonicContact CZ-OE1 3.86Å; R635-E658 IonicContact CZ-OE2 2.85Å; R635-E658 IonicContact NE-OE1 2.83Å; R635-E658 PolarHBondContact NE-OE1 3.23Å; R635-E658 IonicContact NE-OE2 3.81Å; R635-E658 PolarHBondContact NE-OE2 3.07Å; R635-E658 IonicContact NH2-OE1 3.96Å; R635-E658 IonicContact NH2-OE2 3.86Å; R635-E658 PolarHBondContact NH2-OE2 3.27Å; R635-E663 IonicContact CZ-OE1 3.35Å; R635-E663 IonicContact NH1-OE1 3.67Å; R635-E663 IonicContact NH2-OE1 3.5Å; R635-E663 PolarHBondContact NH2-OE1 3.11Å; R635-R666 VanDerWaalsContact CZ-NH1 3.31Å
636	K	92	Very high	89.3	Confident	129 Å²	129	52.7 Å²	52.7	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-62.9	-46.1	174.4	-73	171.5	-163	159.3	0	111.2	T632 D633 L638 G639 V640	T632-K636 VanDerWaalsContact O-CG 3.3Å; T632-K636 WeakPolarHBondContact O-CG 3.49Å; T632-K636 PolarHBondContact O-N 3.09Å; D633-K636 WeakPolarHBondContact O-CB 3.49Å; D633-K636 PolarHBondContact O-N 3.43Å; D633-K636 VanDerWaalsContact O-N 3.14Å; D633-K636 IonicContact OD1-NZ 3.29Å; D633-K636 PolarHBondContact OD1-NZ 2.9Å; K636-L638 PolarHBondContact O-N 3.47Å; K636-G639 PolarHBondContact O-N 3.09Å; K636-V640 WeakPolarHBondContact O-CB 3.27Å; K636-V640 VanDerWaalsContact O-CG2 3.29Å; K636-V640 WeakPolarHBondContact O-CG2 3.44Å; K636-V640 PolarHBondContact O-N 3.43Å
637	I	92	Very high	88.8	Confident	18 Å²	18	53.6 Å²	53.6	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-48.6	179.8	-70.2	159.1	0	0	0	110.3	W618 F621 E625 D633 A634 V640 A641	W618-I637 HydrophobicContact CE3-CG2 3.72Å; W618-I637 HydrophobicContact CZ3-CG2 4.08Å; F621-I637 HydrophobicContact CB-CG2 4.34Å; F621-I637 HydrophobicContact CD1-CB 4.35Å; F621-I637 HydrophobicContact CD1-CD1 3.53Å; F621-I637 HydrophobicContact CD1-CG1 3.84Å; F621-I637 HydrophobicContact CD1-CG2 3.54Å; F621-I637 HydrophobicContact CD2-CD1 4.08Å; F621-I637 HydrophobicContact CE1-CD1 3.34Å; F621-I637 HydrophobicContact CE1-CG1 3.63Å; F621-I637 HydrophobicContact CE1-CG2 4.19Å; F621-I637 HydrophobicContact CE2-CD1 3.88Å; F621-I637 HydrophobicContact CG-CD1 3.92Å; F621-I637 HydrophobicContact CG-CG2 4.17Å; F621-I637 HydrophobicContact CZ-CD1 3.53Å; F621-I637 HydrophobicContact CZ-CG1 4.25Å; E625-I637 HydrophobicContact CG-CD1 3.64Å; D633-I637 WeakPolarHBondContact O-CB 3.42Å; D633-I637 WeakPolarHBondContact O-CD1 3.44Å; D633-I637 WeakPolarHBondContact O-CG1 3.39Å; D633-I637 PolarHBondContact O-N 3.01Å; A634-I637 PolarHBondContact O-N 3.27Å; I637-V640 PolarHBondContact O-N 3.48Å; I637-A641 WeakPolarHBondContact O-CB 3.14Å; I637-A641 PolarHBondContact O-N 3.42Å
638	L	91.1	Very high	88.6	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-68	-36.5	177.8	-67.9	172.6	0	0	0	112.6	L619 A622 A634 K636 A641 I642 Y654 L657	L619-L638 HydrophobicContact CD2-CD2 4.03Å; A622-L638 HydrophobicContact CB-CD1 3.66Å; A622-L638 HydrophobicContact CB-CD2 3.67Å; A622-L638 HydrophobicContact CB-CG 3.51Å; A634-L638 WeakPolarHBondContact O-CG 3.48Å; A634-L638 PolarHBondContact O-N 3.44Å; K636-L638 PolarHBondContact O-N 3.47Å; L638-A641 WeakPolarHBondContact O-CB 3.49Å; L638-A641 PolarHBondContact O-N 2.93Å; L638-I642 WeakPolarHBondContact O-CG1 3.4Å; L638-I642 PolarHBondContact O-N 3.43Å; L638-Y654 HydrophobicContact CB-CD1 3.71Å; L638-Y654 HydrophobicContact CB-CD2 4Å; L638-Y654 HydrophobicContact CB-CE1 3.77Å; L638-Y654 HydrophobicContact CB-CE2 4.08Å; L638-Y654 HydrophobicContact CB-CG 3.82Å; L638-Y654 HydrophobicContact CD1-CD1 4.46Å; L638-Y654 HydrophobicContact CD1-CD2 3.33Å; L638-Y654 HydrophobicContact CD1-CE2 3.81Å; L638-Y654 HydrophobicContact CD1-CG 3.72Å; L638-Y654 HydrophobicContact CG-CD2 4.28Å; L638-Y654 HydrophobicContact CG-CG 4.33Å; L638-L657 HydrophobicContact CD1-CD1 3.52Å
639	G	90.7	Very high	88.4	Confident	38 Å²	38	55.9 Å²	55.9	39%	0.392	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-45.7	172.2	0	0	0	0	0	112.6	R635 K636 A641 I642 G643	R635-G639 PolarHBondContact O-N 2.89Å; K636-G639 PolarHBondContact O-N 3.09Å; G639-A641 VanDerWaalsContact C-N 3.33Å; G639-I642 PolarHBondContact O-N 3.14Å; G639-G643 PolarHBondContact O-N 3.14Å
640	V	90.2	Very high	88.5	Confident	70 Å²	70	53 Å²	53	42%	0.424	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-39.2	174.1	173	0	0	0	0	110.7	W618 K636 I637 G643 K644	W618-V640 HydrophobicContact CH2-CG1 3.92Å; W618-V640 HydrophobicContact CZ3-CG1 4.25Å; K636-V640 WeakPolarHBondContact O-CB 3.27Å; K636-V640 VanDerWaalsContact O-CG2 3.29Å; K636-V640 WeakPolarHBondContact O-CG2 3.44Å; K636-V640 PolarHBondContact O-N 3.43Å; I637-V640 PolarHBondContact O-N 3.48Å; V640-G643 PolarHBondContact O-N 3.43Å; V640-K644 HydrophobicContact CG1-CD 4.02Å; V640-K644 HydrophobicContact CG1-CG 4.31Å; V640-K644 WeakPolarHBondContact O-CB 3.23Å; V640-K644 PolarHBondContact O-N 3.32Å
641	A	90.3	Very high	88.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177	0	0	0	0	0	111.6	W618 I637 L638 G639 G643 K644 C645 L650	W618-A641 HydrophobicContact CB-CB 3.84Å; W618-A641 HydrophobicContact CD2-CB 3.44Å; W618-A641 VanDerWaalsContact CD2-CB 3.44Å; W618-A641 HydrophobicContact CE3-CB 3.58Å; W618-A641 HydrophobicContact CG-CB 3.57Å; W618-A641 HydrophobicContact CZ3-CB 4.23Å; I637-A641 WeakPolarHBondContact O-CB 3.14Å; I637-A641 PolarHBondContact O-N 3.42Å; L638-A641 WeakPolarHBondContact O-CB 3.49Å; L638-A641 PolarHBondContact O-N 2.93Å; G639-A641 VanDerWaalsContact C-N 3.33Å; A641-G643 VanDerWaalsContact C-N 3.34Å; A641-G643 PolarHBondContact O-N 2.95Å; A641-K644 PolarHBondContact O-N 3.11Å; A641-C645 CarbonylContact O-C 3.57Å; A641-C645 WeakPolarHBondContact O-CA 3.35Å; A641-C645 PolarHBondContact O-N 3.29Å; A641-C645 PolarHBondContact O-SG 3.29Å; A641-L650 HydrophobicContact CB-CD1 4.34Å; A641-L650 HydrophobicContact CB-CD2 4.29Å
642	I	88.9	Confident	88.5	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-41.6	177	-71.2	170.5	0	0	0	110.7	L638 G639 C645 P646 F651 Y654 L670	L638-I642 WeakPolarHBondContact O-CG1 3.4Å; L638-I642 PolarHBondContact O-N 3.43Å; G639-I642 PolarHBondContact O-N 3.14Å; I642-C645 CarbonylContact O-C 3.44Å; I642-P646 WeakPolarHBondContact O-CD 3.38Å; I642-F651 HydrophobicContact CD1-CD1 3.77Å; I642-F651 HydrophobicContact CD1-CE1 3.76Å; I642-F651 HydrophobicContact CD1-CZ 4.48Å; I642-F651 HydrophobicContact CG1-CD1 4.38Å; I642-F651 HydrophobicContact CG1-CE1 4.2Å; I642-F651 HydrophobicContact CG1-CZ 4.45Å; I642-F651 HydrophobicContact CG2-CE1 3.67Å; I642-F651 HydrophobicContact CG2-CE2 4.33Å; I642-F651 HydrophobicContact CG2-CZ 3.49Å; I642-F651 VanDerWaalsContact CG2-CZ 3.49Å; I642-Y654 HydrophobicContact CD1-CD1 3.61Å; I642-Y654 HydrophobicContact CD1-CE1 4.27Å; I642-L670 HydrophobicContact CD1-CD2 4.29Å
643	G	85.8	Confident	88.3	Confident	67 Å²	67	51.5 Å²	51.5	69%	0.691	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-39.2	178.4	0	0	0	0	0	113.8	G639 V640 A641	G639-G643 PolarHBondContact O-N 3.14Å; V640-G643 PolarHBondContact O-N 3.43Å; A641-G643 VanDerWaalsContact C-N 3.34Å; A641-G643 PolarHBondContact O-N 2.95Å
644	K	84.7	Confident	88.4	Confident	110 Å²	110	49.8 Å²	49.8	48%	0.478	26%	0.259	S	S	.	.	H	α-helix	trans	-80.6	-34.1	177.5	-72.7	-174.4	178.2	-179.9	0	112.8	W618 V640 A641	W618-K644 HydrophobicContact CH2-CD 4.32Å; W618-K644 HydrophobicContact CZ2-CD 4.2Å; V640-K644 HydrophobicContact CG1-CD 4.02Å; V640-K644 HydrophobicContact CG1-CG 4.31Å; V640-K644 WeakPolarHBondContact O-CB 3.23Å; V640-K644 PolarHBondContact O-N 3.32Å; A641-K644 PolarHBondContact O-N 3.11Å
645	C	79.5	Confident	88.4	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.014	26%	0.26	C	S	.	.			trans	-148.9	79.6	-169.3	33.9	0	0	0	0	112.1	T613 W618 A641 I642 K647 L650	T613-C645 HydrophobicContact CG2-CB 3.26Å; W618-C645 PolarHBondContact NE1-SG 3.42Å; W618-C645 VanDerWaalsContact NE1-SG 3.4Å; A641-C645 CarbonylContact O-C 3.57Å; A641-C645 WeakPolarHBondContact O-CA 3.35Å; A641-C645 PolarHBondContact O-N 3.29Å; A641-C645 PolarHBondContact O-SG 3.29Å; I642-C645 CarbonylContact O-C 3.44Å; C645-K647 PolarHBondContact O-N 3.43Å; C645-K647 VanDerWaalsContact O-N 3.17Å; C645-L650 WeakPolarHBondContact O-CD1 3.27Å
646	P	81.7	Confident	88.3	Confident	46 Å²	46	51.9 Å²	51.9	30%	0.299	27%	0.272	S	S	.	.			trans	-70.3	114.3	178.3	28.2	-33.6	0	0	0	110.2	I642 F651 F677	I642-P646 WeakPolarHBondContact O-CD 3.38Å; P646-F651 HydrophobicContact CB-CE2 4.26Å; P646-F677 HydrophobicContact CB-CD1 4.13Å; P646-F677 HydrophobicContact CB-CD2 3.66Å; P646-F677 HydrophobicContact CB-CE1 3.99Å; P646-F677 HydrophobicContact CB-CE2 3.53Å; P646-F677 HydrophobicContact CB-CG 3.97Å; P646-F677 HydrophobicContact CB-CZ 3.7Å; P646-F677 HydrophobicContact CG-CD2 3.81Å; P646-F677 HydrophobicContact CG-CE1 4.36Å; P646-F677 HydrophobicContact CG-CE2 3.24Å; P646-F677 HydrophobicContact CG-CZ 3.56Å
647	K	82.7	Confident	88.2	Confident	77 Å²	77	45.9 Å²	45.9	34%	0.335	25%	0.246	S	C	.	.			trans	-142.1	143.4	175.1	-81.7	-170.7	164.4	167.1	0	110	T613 C645 K649 L650 F651	T613-K647 PolarHBondContact O-NZ 3.33Å; T613-K647 WeakPolarHBondContact OG1-CD 3.28Å; T613-K647 WeakPolarHBondContact OG1-CE 3.41Å; T613-K647 PolarHBondContact OG1-NZ 2.84Å; C645-K647 PolarHBondContact O-N 3.43Å; C645-K647 VanDerWaalsContact O-N 3.17Å; K647-K649 PolarHBondContact O-N 3.5Å; K647-L650 HydrophobicContact CB-CD1 4.48Å; K647-L650 WeakPolarHBondContact O-CB 3.41Å; K647-L650 PolarHBondContact O-N 3.24Å; K647-F651 VanDerWaalsContact O-CD2 3.31Å; K647-F651 WeakPolarHBondContact O-CD2 3.37Å; K647-F651 PolarHBondContact O-N 3.21Å; K647-F651 VanDerWaalsContact O-N 3.14Å
648	E	84.4	Confident	88.1	Confident	95 Å²	95	45 Å²	45	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-53.4	-40.3	178.1	-166.3	-162.5	143.3	0	0	112.7	L650 F651 R652 N681	E648-L650 VanDerWaalsContact C-N 3.28Å; E648-L650 PolarHBondContact O-N 2.97Å; E648-F651 PolarHBondContact O-N 3.29Å; E648-R652 WeakPolarHBondContact O-CB 3.2Å; E648-R652 PolarHBondContact O-N 3.48Å; E648-N681 PolarHBondContact OE2-ND2 2.83Å
649	K	86.9	Confident	88.1	Confident	160 Å²	160	48.2 Å²	48.2	70%	0.696	26%	0.259	S	S	*	.	H	α-helix	trans	-61.4	-32.8	177.3	-65.7	-168	178.2	-168.7	0	113.8	A615 K647 G653	A615-K649 HydrophobicContact CB-CB 4.44Å; K647-K649 PolarHBondContact O-N 3.5Å; K649-G653 PolarHBondContact O-N 3.02Å
650	L	89.3	Confident	88	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-75.4	-42	176.3	-77.3	166.6	0	0	0	110.9	A615 W618 L619 A641 C645 K647 E648 G653 Y654	A615-L650 HydrophobicContact CB-CD1 4.2Å; A615-L650 HydrophobicContact CB-CD2 3.98Å; A615-L650 HydrophobicContact CB-CG 3.71Å; W618-L650 HydrophobicContact CB-CD2 3.77Å; W618-L650 HydrophobicContact CG-CD2 4.48Å; L619-L650 HydrophobicContact CD2-CD2 4.25Å; L619-L650 HydrophobicContact CG-CD2 4.1Å; A641-L650 HydrophobicContact CB-CD1 4.34Å; A641-L650 HydrophobicContact CB-CD2 4.29Å; C645-L650 WeakPolarHBondContact O-CD1 3.27Å; K647-L650 HydrophobicContact CB-CD1 4.48Å; K647-L650 WeakPolarHBondContact O-CB 3.41Å; K647-L650 PolarHBondContact O-N 3.24Å; E648-L650 VanDerWaalsContact C-N 3.28Å; E648-L650 PolarHBondContact O-N 2.97Å; L650-G653 PolarHBondContact O-N 3.46Å; L650-Y654 WeakPolarHBondContact O-CB 3.36Å; L650-Y654 PolarHBondContact O-N 2.8Å
651	F	90.6	Very high	87.9	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-50.9	172.8	-74.9	-72.6	0	0	0	111.1	I642 P646 K647 E648 G653 Y654 V655 K673 A674 F677	I642-F651 HydrophobicContact CD1-CD1 3.77Å; I642-F651 HydrophobicContact CD1-CE1 3.76Å; I642-F651 HydrophobicContact CD1-CZ 4.48Å; I642-F651 HydrophobicContact CG1-CD1 4.38Å; I642-F651 HydrophobicContact CG1-CE1 4.2Å; I642-F651 HydrophobicContact CG1-CZ 4.45Å; I642-F651 HydrophobicContact CG2-CE1 3.67Å; I642-F651 HydrophobicContact CG2-CE2 4.33Å; I642-F651 HydrophobicContact CG2-CZ 3.49Å; I642-F651 VanDerWaalsContact CG2-CZ 3.49Å; P646-F651 HydrophobicContact CB-CE2 4.26Å; K647-F651 VanDerWaalsContact O-CD2 3.31Å; K647-F651 WeakPolarHBondContact O-CD2 3.37Å; K647-F651 PolarHBondContact O-N 3.21Å; K647-F651 VanDerWaalsContact O-N 3.14Å; E648-F651 PolarHBondContact O-N 3.29Å; F651-G653 PolarHBondContact O-N 3.21Å; F651-Y654 PolarHBondContact O-N 3.35Å; F651-V655 WeakPolarHBondContact O-CB 3.17Å; F651-V655 VanDerWaalsContact O-CG2 3.3Å; F651-V655 WeakPolarHBondContact O-CG2 3.33Å; F651-V655 PolarHBondContact O-N 3.4Å; F651-K673 HydrophobicContact CE1-CB 4.23Å; F651-A674 HydrophobicContact CB-CB 4.18Å; F651-A674 HydrophobicContact CD1-CB 3.64Å; F651-A674 HydrophobicContact CD2-CB 4.2Å; F651-A674 HydrophobicContact CE1-CB 3.97Å; F651-A674 HydrophobicContact CE2-CB 4.49Å; F651-A674 HydrophobicContact CG-CB 3.76Å; F651-A674 HydrophobicContact CZ-CB 4.38Å; F651-F677 HydrophobicContact CE2-CD1 4.42Å
652	R	90	Very high	87.8	Confident	132 Å²	132	62.8 Å²	62.8	50%	0.498	31%	0.305	S	S	.	.	H	α-helix	trans	-56	-51.4	176.7	-174.9	176.4	-177.6	158.5	0.5	111.7	E648 Y654 V655 D656	E648-R652 WeakPolarHBondContact O-CB 3.2Å; E648-R652 PolarHBondContact O-N 3.48Å; R652-Y654 VanDerWaalsContact C-N 3.28Å; R652-Y654 PolarHBondContact O-N 2.99Å; R652-V655 PolarHBondContact O-N 2.91Å; R652-D656 WeakPolarHBondContact O-CB 3.41Å; R652-D656 PolarHBondContact O-N 3.24Å
653	G	88.8	Confident	87.9	Confident	12 Å²	12	65.1 Å²	65.1	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-30.7	179.4	0	0	0	0	0	113.9	K649 L650 F651 L657	K649-G653 PolarHBondContact O-N 3.02Å; L650-G653 PolarHBondContact O-N 3.46Å; F651-G653 PolarHBondContact O-N 3.21Å; G653-L657 WeakPolarHBondContact O-CB 3.14Å; G653-L657 PolarHBondContact O-N 3.37Å
654	Y	92.3	Very high	88	Confident	18 Å²	18	65.2 Å²	65.2	7%	0.071	30%	0.297	C	S	.	.	H	α-helix	trans	-77.2	-39.7	175.2	-166.2	-173.3	0	0	0	112.1	R635 L638 I642 L650 F651 R652 L657 E658 L670	R635-Y654 WeakPolarHBondContact CA-OH 3.5Å; R635-Y654 WeakPolarHBondContact CB-OH 3.37Å; R635-Y654 HydrophobicContact CG-CE2 4.18Å; R635-Y654 PolarHBondContact O-OH 3.07Å; L638-Y654 HydrophobicContact CB-CD1 3.71Å; L638-Y654 HydrophobicContact CB-CD2 4Å; L638-Y654 HydrophobicContact CB-CE1 3.77Å; L638-Y654 HydrophobicContact CB-CE2 4.08Å; L638-Y654 HydrophobicContact CB-CG 3.82Å; L638-Y654 HydrophobicContact CD1-CD1 4.46Å; L638-Y654 HydrophobicContact CD1-CD2 3.33Å; L638-Y654 HydrophobicContact CD1-CE2 3.81Å; L638-Y654 HydrophobicContact CD1-CG 3.72Å; L638-Y654 HydrophobicContact CG-CD2 4.28Å; L638-Y654 HydrophobicContact CG-CG 4.33Å; I642-Y654 HydrophobicContact CD1-CD1 3.61Å; I642-Y654 HydrophobicContact CD1-CE1 4.27Å; L650-Y654 WeakPolarHBondContact O-CB 3.36Å; L650-Y654 PolarHBondContact O-N 2.8Å; F651-Y654 PolarHBondContact O-N 3.35Å; R652-Y654 VanDerWaalsContact C-N 3.28Å; R652-Y654 PolarHBondContact O-N 2.99Å; Y654-L657 HydrophobicContact CD2-CD2 4.2Å; Y654-L657 HydrophobicContact CE2-CD2 4.32Å; Y654-L657 WeakPolarHBondContact O-CB 3.3Å; Y654-L657 PolarHBondContact O-N 3.17Å; Y654-E658 HydrophobicContact CD2-CG 3.93Å; Y654-E658 HydrophobicContact CE2-CG 3.8Å; Y654-E658 VanDerWaalsContact CE2-OE1 3.25Å; Y654-E658 WeakPolarHBondContact CE2-OE1 3.38Å; Y654-E658 WeakPolarHBondContact O-CG 3.39Å; Y654-E658 PolarHBondContact O-N 3.07Å; Y654-L670 HydrophobicContact CD1-CD1 3.75Å; Y654-L670 HydrophobicContact CD1-CD2 3.35Å; Y654-L670 HydrophobicContact CD1-CG 4.21Å; Y654-L670 HydrophobicContact CD2-CD1 3.93Å; Y654-L670 HydrophobicContact CE1-CD1 4.12Å; Y654-L670 HydrophobicContact CE1-CD2 3.48Å; Y654-L670 VanDerWaalsContact CE1-CD2 3.48Å; Y654-L670 HydrophobicContact CE1-CG 4.4Å; Y654-L670 HydrophobicContact CE2-CD1 4.25Å; Y654-L670 HydrophobicContact CG-CD1 3.66Å; Y654-L670 HydrophobicContact CG-CD2 4.14Å
655	V	91.8	Very high	88.3	Confident	3 Å²	3	65 Å²	65	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-46.5	173.9	171	0	0	0	0	110.6	F651 R652 L657 E658 L659 L670 Y671	F651-V655 WeakPolarHBondContact O-CB 3.17Å; F651-V655 VanDerWaalsContact O-CG2 3.3Å; F651-V655 WeakPolarHBondContact O-CG2 3.33Å; F651-V655 PolarHBondContact O-N 3.4Å; R652-V655 PolarHBondContact O-N 2.91Å; V655-L657 PolarHBondContact O-N 2.91Å; V655-E658 PolarHBondContact O-N 3.28Å; V655-L659 WeakPolarHBondContact O-CB 3.21Å; V655-L659 PolarHBondContact O-N 3.31Å; V655-L670 HydrophobicContact CG2-CB 3.72Å; V655-L670 HydrophobicContact CG2-CD1 4.12Å; V655-Y671 HydrophobicContact CG1-CD2 4.45Å; V655-Y671 HydrophobicContact CG1-CE1 4.46Å; V655-Y671 HydrophobicContact CG1-CE2 3.58Å; V655-Y671 WeakPolarHBondContact CG1-OH 3.27Å; V655-Y671 HydrophobicContact CG2-CE2 4.34Å
656	D	90.8	Very high	88.8	Confident	70 Å²	70	70 Å²	70	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-57.6	-37	178	-67.1	-17.4	0	0	0	110.9	R652 Q660	R652-D656 WeakPolarHBondContact O-CB 3.41Å; R652-D656 PolarHBondContact O-N 3.24Å; D656-Q660 VanDerWaalsContact O-CG 3.25Å; D656-Q660 WeakPolarHBondContact O-CG 3.34Å; D656-Q660 PolarHBondContact O-N 3.44Å
657	L	89.3	Confident	89.3	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-69.3	-47	176.4	178.6	159.5	0	0	0	112.7	I626 L638 G653 Y654 V655 L659 Q660 L661	I626-L657 HydrophobicContact CD1-CD1 3.12Å; I626-L657 HydrophobicContact CD1-CD2 4Å; I626-L657 HydrophobicContact CD1-CG 3.43Å; I626-L657 VanDerWaalsContact CD1-CG 3.43Å; I626-L657 HydrophobicContact CG1-CD1 4.47Å; L638-L657 HydrophobicContact CD1-CD1 3.52Å; G653-L657 WeakPolarHBondContact O-CB 3.14Å; G653-L657 PolarHBondContact O-N 3.37Å; Y654-L657 HydrophobicContact CD2-CD2 4.2Å; Y654-L657 HydrophobicContact CE2-CD2 4.32Å; Y654-L657 WeakPolarHBondContact O-CB 3.3Å; Y654-L657 PolarHBondContact O-N 3.17Å; V655-L657 PolarHBondContact O-N 2.91Å; L657-L659 VanDerWaalsContact C-N 3.29Å; L657-L659 PolarHBondContact O-N 2.96Å; L657-Q660 PolarHBondContact O-N 2.92Å; L657-L661 HydrophobicContact CD2-CD1 3.73Å; L657-L661 VanDerWaalsContact O-CG 3.29Å; L657-L661 WeakPolarHBondContact O-CG 3.37Å; L657-L661 PolarHBondContact O-N 3.39Å; L657-L661 VanDerWaalsContact O-N 3.16Å
658	E	91	Very high	89.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-31.4	176.6	-66.8	-66.7	178.5	0	0	111.9	R635 Y654 V655 L661 R662 E663 R666 C667 L670	R635-E658 WeakPolarHBondContact CD-OE1 3.46Å; R635-E658 WeakPolarHBondContact CG-OE1 3.49Å; R635-E658 IonicContact CZ-OE1 3.86Å; R635-E658 IonicContact CZ-OE2 2.85Å; R635-E658 IonicContact NE-OE1 2.83Å; R635-E658 PolarHBondContact NE-OE1 3.23Å; R635-E658 IonicContact NE-OE2 3.81Å; R635-E658 PolarHBondContact NE-OE2 3.07Å; R635-E658 IonicContact NH2-OE1 3.96Å; R635-E658 IonicContact NH2-OE2 3.86Å; R635-E658 PolarHBondContact NH2-OE2 3.27Å; Y654-E658 HydrophobicContact CD2-CG 3.93Å; Y654-E658 HydrophobicContact CE2-CG 3.8Å; Y654-E658 VanDerWaalsContact CE2-OE1 3.25Å; Y654-E658 WeakPolarHBondContact CE2-OE1 3.38Å; Y654-E658 WeakPolarHBondContact O-CG 3.39Å; Y654-E658 PolarHBondContact O-N 3.07Å; V655-E658 PolarHBondContact O-N 3.28Å; E658-L661 CarbonylContact O-C 3.55Å; E658-L661 PolarHBondContact O-N 2.89Å; E658-R662 PolarHBondContact O-N 3.07Å; E658-R662 VanDerWaalsContact O-N 3.08Å; E658-E663 PolarHBondContact O-N 3.07Å; E658-E663 WeakPolarHBondContact OE2-CB 3.48Å; E658-R666 HydrophobicContact CB-CB 4.5Å; E658-R666 HydrophobicContact CG-CB 4.2Å; E658-C667 VanDerWaalsContact CB-SG 3.5Å; E658-L670 HydrophobicContact CB-CD1 4.41Å; E658-L670 HydrophobicContact CG-CD1 3.78Å
659	L	90.6	Very high	90.1	Very high	69 Å²	69	65 Å²	65	36%	0.361	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-43	173.7	-172.9	65.9	0	0	0	111.2	V655 L657 L661 R662 F664 L691	V655-L659 WeakPolarHBondContact O-CB 3.21Å; V655-L659 PolarHBondContact O-N 3.31Å; L657-L659 VanDerWaalsContact C-N 3.29Å; L657-L659 PolarHBondContact O-N 2.96Å; L659-L661 PolarHBondContact O-N 3.28Å; L659-R662 PolarHBondContact O-N 3.12Å; L659-F664 HydrophobicContact CD1-CD1 4.3Å; L659-F664 HydrophobicContact CD1-CE1 3.98Å; L659-L691 HydrophobicContact CD1-CD1 3.52Å
660	Q	88.8	Confident	90.3	Very high	150 Å²	150	57.9 Å²	57.9	70%	0.701	26%	0.264	S	S	*	.	H	α-helix	trans	-61.3	-33.4	173.3	-76.7	173	-1.2	0	0	112.5	D656 L657 R662	D656-Q660 VanDerWaalsContact O-CG 3.25Å; D656-Q660 WeakPolarHBondContact O-CG 3.34Å; D656-Q660 PolarHBondContact O-N 3.44Å; L657-Q660 PolarHBondContact O-N 2.92Å; Q660-R662 VanDerWaalsContact C-N 3.27Å
661	L	87.5	Confident	90.4	Very high	69 Å²	69	58.9 Å²	58.9	36%	0.361	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4	176.3	-62.5	167.3	0	0	0	113.5	L631 L657 E658 L659 E663	L631-L661 HydrophobicContact CD1-CD1 3.24Å; L631-L661 HydrophobicContact CD1-CD2 4.41Å; L631-L661 HydrophobicContact CD1-CG 4.46Å; L631-L661 HydrophobicContact CD2-CD1 3.96Å; L631-L661 HydrophobicContact CD2-CD2 4.39Å; L631-L661 HydrophobicContact CG-CD1 4.23Å; L657-L661 HydrophobicContact CD2-CD1 3.73Å; L657-L661 VanDerWaalsContact O-CG 3.29Å; L657-L661 WeakPolarHBondContact O-CG 3.37Å; L657-L661 PolarHBondContact O-N 3.39Å; L657-L661 VanDerWaalsContact O-N 3.16Å; E658-L661 CarbonylContact O-C 3.55Å; E658-L661 PolarHBondContact O-N 2.89Å; L659-L661 PolarHBondContact O-N 3.28Å; L661-E663 VanDerWaalsContact C-N 3.26Å; L661-E663 HydrophobicContact CB-CG 4.12Å; L661-E663 PolarHBondContact O-N 3.03Å
662	R	88.6	Confident	90.4	Very high	196 Å²	196	62.2 Å²	62.2	74%	0.74	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	31.5	-176.8	-56.2	-179.8	174.8	-125.1	-0.9	113.9	E658 L659 Q660 F664	E658-R662 PolarHBondContact O-N 3.07Å; E658-R662 VanDerWaalsContact O-N 3.08Å; L659-R662 PolarHBondContact O-N 3.12Å; Q660-R662 VanDerWaalsContact C-N 3.27Å; R662-F664 HydrophobicContact CB-CE2 4.17Å; R662-F664 HydrophobicContact CB-CZ 4.07Å; R662-F664 HydrophobicContact CG-CZ 4.45Å; R662-F664 WeakPolarHBondContact O-CD2 3.22Å; R662-F664 PolarHBondContact O-N 3.17Å
663	E	90.3	Very high	90.4	Very high	74 Å²	74	61 Å²	61	35%	0.346	28%	0.282	S	S	.	.			trans	-98.5	69.4	-178	-71.9	-101.2	-129.2	0	0	110.2	R635 E658 L661 D665 R666 C667	R635-E663 IonicContact CZ-OE1 3.35Å; R635-E663 IonicContact NH1-OE1 3.67Å; R635-E663 IonicContact NH2-OE1 3.5Å; R635-E663 PolarHBondContact NH2-OE1 3.11Å; E658-E663 PolarHBondContact O-N 3.07Å; E658-E663 WeakPolarHBondContact OE2-CB 3.48Å; L661-E663 VanDerWaalsContact C-N 3.26Å; L661-E663 HydrophobicContact CB-CG 4.12Å; L661-E663 PolarHBondContact O-N 3.03Å; E663-D665 VanDerWaalsContact C-N 3.33Å; E663-D665 PolarHBondContact O-N 3.04Å; E663-R666 HydrophobicContact CB-CB 4.39Å; E663-R666 HydrophobicContact CB-CG 4.26Å; E663-R666 WeakPolarHBondContact O-CB 3.44Å; E663-R666 PolarHBondContact O-N 2.98Å; E663-C667 PolarHBondContact O-N 2.9Å; E663-C667 VanDerWaalsContact O-N 3.14Å
664	F	89.2	Confident	90.4	Very high	68 Å²	68	60.9 Å²	60.9	30%	0.298	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-35.2	-168.8	-55.6	-61.6	0	0	0	113.9	L659 R662 R666 C667 R668 L691 L695	L659-F664 HydrophobicContact CD1-CD1 4.3Å; L659-F664 HydrophobicContact CD1-CE1 3.98Å; R662-F664 HydrophobicContact CB-CE2 4.17Å; R662-F664 HydrophobicContact CB-CZ 4.07Å; R662-F664 HydrophobicContact CG-CZ 4.45Å; R662-F664 WeakPolarHBondContact O-CD2 3.22Å; R662-F664 PolarHBondContact O-N 3.17Å; F664-R666 PolarHBondContact O-N 3.26Å; F664-C667 WeakPolarHBondContact O-CB 3.29Å; F664-C667 PolarHBondContact O-N 2.85Å; F664-C667 VanDerWaalsContact O-N 3.14Å; F664-R668 WeakPolarHBondContact O-CG 3.39Å; F664-R668 PolarHBondContact O-N 3.03Å; F664-L691 HydrophobicContact CD1-CD1 4.32Å; F664-L695 HydrophobicContact CB-CD1 3.8Å; F664-L695 HydrophobicContact CB-CD2 4.06Å; F664-L695 HydrophobicContact CD1-CD1 4.18Å; F664-L695 HydrophobicContact CD1-CD2 3.52Å; F664-L695 HydrophobicContact CD1-CG 4.29Å; F664-L695 HydrophobicContact CD2-CD2 3.49Å; F664-L695 VanDerWaalsContact CD2-CD2 3.49Å; F664-L695 HydrophobicContact CE1-CD2 3.68Å; F664-L695 HydrophobicContact CE2-CD2 3.67Å; F664-L695 HydrophobicContact CG-CD1 4.03Å; F664-L695 HydrophobicContact CG-CD2 3.4Å; F664-L695 VanDerWaalsContact CG-CD2 3.4Å; F664-L695 HydrophobicContact CG-CG 4.32Å; F664-L695 HydrophobicContact CZ-CD2 3.75Å
665	D	90.6	Very high	90.3	Very high	105 Å²	105	60.7 Å²	60.7	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-63.6	-32.7	175.4	-66.8	-35	0	0	0	112.3	E663 R668 I669	E663-D665 VanDerWaalsContact C-N 3.33Å; E663-D665 PolarHBondContact O-N 3.04Å; D665-R668 IonicContact OD1-NH1 2.93Å; D665-R668 PolarHBondContact OD1-NH1 3.08Å; D665-I669 WeakPolarHBondContact O-CG1 3.44Å; D665-I669 PolarHBondContact O-N 3.29Å
666	R	90.5	Very high	90	Very high	107 Å²	107	68 Å²	68	40%	0.404	31%	0.313	S	S	.	.	H	α-helix	trans	-72.9	-39.7	173.7	-58.5	-165.7	103.2	121.3	6	111.1	R635 E658 E663 F664 R668 I669 L670	R635-R666 VanDerWaalsContact CZ-NH1 3.31Å; E658-R666 HydrophobicContact CB-CB 4.5Å; E658-R666 HydrophobicContact CG-CB 4.2Å; E663-R666 HydrophobicContact CB-CB 4.39Å; E663-R666 HydrophobicContact CB-CG 4.26Å; E663-R666 WeakPolarHBondContact O-CB 3.44Å; E663-R666 PolarHBondContact O-N 2.98Å; F664-R666 PolarHBondContact O-N 3.26Å; R666-R668 VanDerWaalsContact C-N 3.28Å; R666-R668 PolarHBondContact O-N 3.33Å; R666-I669 PolarHBondContact O-N 3.08Å; R666-L670 VanDerWaalsContact O-CG 3.3Å; R666-L670 WeakPolarHBondContact O-CG 3.45Å; R666-L670 PolarHBondContact O-N 3.29Å
667	C	91.2	Very high	89.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.2	-44.1	173.6	-62.3	0	0	0	0	111.2	E658 E663 F664 L670 Y671 L691	E658-C667 VanDerWaalsContact CB-SG 3.5Å; E663-C667 PolarHBondContact O-N 2.9Å; E663-C667 VanDerWaalsContact O-N 3.14Å; F664-C667 WeakPolarHBondContact O-CB 3.29Å; F664-C667 PolarHBondContact O-N 2.85Å; F664-C667 VanDerWaalsContact O-N 3.14Å; C667-L670 WeakPolarHBondContact O-CB 3.16Å; C667-L670 PolarHBondContact O-N 3.31Å; C667-L670 VanDerWaalsContact O-N 3.16Å; C667-Y671 WeakPolarHBondContact O-CD2 3.45Å; C667-Y671 PolarHBondContact O-N 3.16Å; C667-L691 HydrophobicContact CB-CD2 3.46Å; C667-L691 VanDerWaalsContact CB-CD2 3.46Å
668	R	91.8	Very high	89.5	Confident	32 Å²	32	71.8 Å²	71.8	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-55.6	-52.6	174.3	-70.9	168.7	173.8	156.6	-3	112.1	F664 D665 R666 L670 Y671 E672 Y688 E692 D697	F664-R668 WeakPolarHBondContact O-CG 3.39Å; F664-R668 PolarHBondContact O-N 3.03Å; D665-R668 IonicContact OD1-NH1 2.93Å; D665-R668 PolarHBondContact OD1-NH1 3.08Å; R666-R668 VanDerWaalsContact C-N 3.28Å; R666-R668 PolarHBondContact O-N 3.33Å; R668-L670 PolarHBondContact O-N 2.94Å; R668-Y671 PolarHBondContact O-N 3.49Å; R668-E672 WeakPolarHBondContact O-CB 3.5Å; R668-E672 WeakPolarHBondContact O-CG 3.31Å; R668-E672 PolarHBondContact O-N 2.85Å; R668-Y688 HydrophobicContact CB-CE2 4.39Å; R668-Y688 HydrophobicContact CG-CE2 4.06Å; R668-E692 VanDerWaalsContact CG-OE1 3.26Å; R668-E692 WeakPolarHBondContact CG-OE1 3.38Å; R668-E692 IonicContact CZ-OE1 2.95Å; R668-E692 IonicContact CZ-OE2 3.26Å; R668-E692 IonicContact NE-OE1 2.58Å; R668-E692 PolarHBondContact NE-OE1 3.21Å; R668-E692 IonicContact NE-OE2 3.84Å; R668-E692 PolarHBondContact NE-OE2 3.4Å; R668-E692 IonicContact NH2-OE1 2.7Å; R668-E692 IonicContact NH2-OE2 2.9Å; R668-E692 PolarHBondContact NH2-OE2 3.48Å; R668-D697 IonicContact CZ-OD2 2.85Å; R668-D697 IonicContact NH2-OD2 3.6Å; R668-D697 PolarHBondContact NH2-OD2 3.05Å
669	I	91.7	Very high	89.3	Confident	82 Å²	82	74.2 Å²	74.2	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-37.5	177.7	-65.2	164.7	0	0	0	111.2	D665 R666 K673	D665-I669 WeakPolarHBondContact O-CG1 3.44Å; D665-I669 PolarHBondContact O-N 3.29Å; R666-I669 PolarHBondContact O-N 3.08Å; I669-K673 HydrophobicContact CG2-CD 4.15Å; I669-K673 WeakPolarHBondContact O-CB 3.27Å; I669-K673 VanDerWaalsContact O-CG 3.26Å; I669-K673 WeakPolarHBondContact O-CG 3.41Å; I669-K673 PolarHBondContact O-N 3.24Å
670	L	91.2	Very high	89	Confident	11 Å²	11	76.7 Å²	76.7	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-42.2	178.8	-71.7	175.1	0	0	0	112.5	I642 Y654 V655 E658 R666 C667 R668 K673 A674	I642-L670 HydrophobicContact CD1-CD2 4.29Å; Y654-L670 HydrophobicContact CD1-CD1 3.75Å; Y654-L670 HydrophobicContact CD1-CD2 3.35Å; Y654-L670 HydrophobicContact CD1-CG 4.21Å; Y654-L670 HydrophobicContact CD2-CD1 3.93Å; Y654-L670 HydrophobicContact CE1-CD1 4.12Å; Y654-L670 HydrophobicContact CE1-CD2 3.48Å; Y654-L670 VanDerWaalsContact CE1-CD2 3.48Å; Y654-L670 HydrophobicContact CE1-CG 4.4Å; Y654-L670 HydrophobicContact CE2-CD1 4.25Å; Y654-L670 HydrophobicContact CG-CD1 3.66Å; Y654-L670 HydrophobicContact CG-CD2 4.14Å; V655-L670 HydrophobicContact CG2-CB 3.72Å; V655-L670 HydrophobicContact CG2-CD1 4.12Å; E658-L670 HydrophobicContact CB-CD1 4.41Å; E658-L670 HydrophobicContact CG-CD1 3.78Å; R666-L670 VanDerWaalsContact O-CG 3.3Å; R666-L670 WeakPolarHBondContact O-CG 3.45Å; R666-L670 PolarHBondContact O-N 3.29Å; C667-L670 WeakPolarHBondContact O-CB 3.16Å; C667-L670 PolarHBondContact O-N 3.31Å; C667-L670 VanDerWaalsContact O-N 3.16Å; R668-L670 PolarHBondContact O-N 2.94Å; L670-K673 PolarHBondContact O-N 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.28Å; L670-A674 PolarHBondContact O-N 3.38Å
671	Y	91.4	Very high	89	Confident	23 Å²	23	70.8 Å²	70.8	9%	0.09	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-45.7	173.2	-80.4	-63.6	0	0	0	111.5	V655 C667 R668 K673 A674 L675 K687 Y688 L691	V655-Y671 HydrophobicContact CG1-CD2 4.45Å; V655-Y671 HydrophobicContact CG1-CE1 4.46Å; V655-Y671 HydrophobicContact CG1-CE2 3.58Å; V655-Y671 WeakPolarHBondContact CG1-OH 3.27Å; V655-Y671 HydrophobicContact CG2-CE2 4.34Å; C667-Y671 WeakPolarHBondContact O-CD2 3.45Å; C667-Y671 PolarHBondContact O-N 3.16Å; R668-Y671 PolarHBondContact O-N 3.49Å; Y671-K673 VanDerWaalsContact C-N 3.3Å; Y671-K673 PolarHBondContact O-N 3.2Å; Y671-A674 WeakPolarHBondContact O-CB 3.47Å; Y671-A674 PolarHBondContact O-N 3Å; Y671-A674 VanDerWaalsContact O-N 3.08Å; Y671-L675 WeakPolarHBondContact O-CB 3.45Å; Y671-L675 VanDerWaalsContact O-CG 3.25Å; Y671-L675 WeakPolarHBondContact O-CG 3.47Å; Y671-L675 PolarHBondContact O-N 3.05Å; Y671-K687 HydrophobicContact CE1-CB 3.94Å; Y671-Y688 HydrophobicContact CD1-CG 4.39Å; Y671-Y688 AromaticContact CD2-CD2 3.59Å; Y671-Y688 HydrophobicContact CD2-CD2 3.59Å; Y671-Y688 HydrophobicContact CD2-CE2 4.32Å; Y671-Y688 HydrophobicContact CD2-CG 4.13Å; Y671-Y688 HydrophobicContact CE2-CD2 4.39Å; Y671-Y688 AromaticContact CG-CD2 3.75Å; Y671-Y688 HydrophobicContact CG-CD2 3.75Å; Y671-Y688 AromaticContact CG-CG 3.83Å; Y671-Y688 HydrophobicContact CG-CG 3.83Å; Y671-L691 HydrophobicContact CD2-CD2 3.97Å; Y671-L691 HydrophobicContact CE2-CB 4.24Å; Y671-L691 HydrophobicContact CE2-CD2 3.65Å
672	E	90.6	Very high	88.9	Confident	83 Å²	83	67.6 Å²	67.6	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-43.9	175.3	-73.1	171.7	-174.7	0	0	111.7	R668 L675 Q676 Y688 R700	R668-E672 WeakPolarHBondContact O-CB 3.5Å; R668-E672 WeakPolarHBondContact O-CG 3.31Å; R668-E672 PolarHBondContact O-N 2.85Å; E672-L675 PolarHBondContact O-N 3.49Å; E672-Q676 VanDerWaalsContact O-CG 3.29Å; E672-Q676 WeakPolarHBondContact O-CG 3.46Å; E672-Q676 PolarHBondContact O-N 2.96Å; E672-Y688 HydrophobicContact CG-CE1 4.49Å; E672-Y688 PolarHBondContact OE1-OH 2.58Å; E672-R700 IonicContact OE1-NH2 3.99Å
673	K	89.9	Confident	88.9	Confident	107 Å²	107	60.9 Å²	60.9	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-37.3	174.7	-75.7	176.7	-179	179.2	0	113.1	F651 I669 L670 Y671 L675 Q676 F677	F651-K673 HydrophobicContact CE1-CB 4.23Å; I669-K673 HydrophobicContact CG2-CD 4.15Å; I669-K673 WeakPolarHBondContact O-CB 3.27Å; I669-K673 VanDerWaalsContact O-CG 3.26Å; I669-K673 WeakPolarHBondContact O-CG 3.41Å; I669-K673 PolarHBondContact O-N 3.24Å; L670-K673 PolarHBondContact O-N 3.26Å; Y671-K673 VanDerWaalsContact C-N 3.3Å; Y671-K673 PolarHBondContact O-N 3.2Å; K673-L675 VanDerWaalsContact C-N 3.33Å; K673-Q676 PolarHBondContact O-N 2.92Å; K673-F677 PolarHBondContact O-N 3.26Å
674	A	90	Very high	88.9	Confident	9 Å²	9	58.1 Å²	58.1	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.2	0	0	0	0	0	110.9	F651 L670 Y671 F677 A678	F651-A674 HydrophobicContact CB-CB 4.18Å; F651-A674 HydrophobicContact CD1-CB 3.64Å; F651-A674 HydrophobicContact CD2-CB 4.2Å; F651-A674 HydrophobicContact CE1-CB 3.97Å; F651-A674 HydrophobicContact CE2-CB 4.49Å; F651-A674 HydrophobicContact CG-CB 3.76Å; F651-A674 HydrophobicContact CZ-CB 4.38Å; L670-A674 WeakPolarHBondContact O-CB 3.28Å; L670-A674 PolarHBondContact O-N 3.38Å; Y671-A674 WeakPolarHBondContact O-CB 3.47Å; Y671-A674 PolarHBondContact O-N 3Å; Y671-A674 VanDerWaalsContact O-N 3.08Å; A674-F677 PolarHBondContact O-N 2.86Å; A674-A678 PolarHBondContact O-N 3.39Å
675	L	88.8	Confident	89.1	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-71.6	-33.1	177.8	-67.4	172.4	0	0	0	112.7	Y671 E672 K673 F677 A678 P679 C684 W685 Y688	Y671-L675 WeakPolarHBondContact O-CB 3.45Å; Y671-L675 VanDerWaalsContact O-CG 3.25Å; Y671-L675 WeakPolarHBondContact O-CG 3.47Å; Y671-L675 PolarHBondContact O-N 3.05Å; E672-L675 PolarHBondContact O-N 3.49Å; K673-L675 VanDerWaalsContact C-N 3.33Å; L675-F677 VanDerWaalsContact C-N 3.26Å; L675-F677 PolarHBondContact O-N 2.92Å; L675-A678 CarbonylContact O-C 3.58Å; L675-A678 PolarHBondContact O-N 3.32Å; L675-P679 VanDerWaalsContact O-CA 3.31Å; L675-P679 WeakPolarHBondContact O-CA 3.34Å; L675-P679 WeakPolarHBondContact O-CD 3.38Å; L675-C684 HydrophobicContact CD2-CB 3.88Å; L675-W685 HydrophobicContact CB-CZ2 4.4Å; L675-W685 HydrophobicContact CD1-CD2 3.94Å; L675-W685 HydrophobicContact CD1-CE3 3.61Å; L675-W685 HydrophobicContact CD1-CH2 3.79Å; L675-W685 HydrophobicContact CD1-CZ2 4.1Å; L675-W685 HydrophobicContact CD1-CZ3 3.54Å; L675-W685 HydrophobicContact CD2-CD2 3.57Å; L675-W685 VanDerWaalsContact CD2-CE2 3.41Å; L675-W685 HydrophobicContact CD2-CE3 4.16Å; L675-W685 HydrophobicContact CD2-CG 3.86Å; L675-W685 HydrophobicContact CD2-CH2 4.41Å; L675-W685 HydrophobicContact CD2-CZ2 3.86Å; L675-W685 HydrophobicContact CG-CD2 4.38Å; L675-W685 HydrophobicContact CG-CH2 4.48Å; L675-W685 HydrophobicContact CG-CZ2 4.33Å; L675-Y688 HydrophobicContact CD1-CD1 3.86Å; L675-Y688 HydrophobicContact CD1-CE1 4.44Å
676	Q	87.2	Confident	89.1	Confident	157 Å²	157	51.6 Å²	51.6	73%	0.734	25%	0.251	S	S	*	.	H	α-helix	trans	-61.4	-35.4	169.5	-77	172.8	10.2	0	0	112.3	E672 K673	E672-Q676 VanDerWaalsContact O-CG 3.29Å; E672-Q676 WeakPolarHBondContact O-CG 3.46Å; E672-Q676 PolarHBondContact O-N 2.96Å; K673-Q676 PolarHBondContact O-N 2.92Å
677	F	85.2	Confident	89.1	Confident	119 Å²	119	48.9 Å²	48.9	52%	0.522	24%	0.242	S	C	.	.	H	α-helix	trans	-79.4	-40.5	178.4	177.9	-100.4	0	0	0	112.5	P646 F651 K673 A674 L675	P646-F677 HydrophobicContact CB-CD1 4.13Å; P646-F677 HydrophobicContact CB-CD2 3.66Å; P646-F677 HydrophobicContact CB-CE1 3.99Å; P646-F677 HydrophobicContact CB-CE2 3.53Å; P646-F677 HydrophobicContact CB-CG 3.97Å; P646-F677 HydrophobicContact CB-CZ 3.7Å; P646-F677 HydrophobicContact CG-CD2 3.81Å; P646-F677 HydrophobicContact CG-CE1 4.36Å; P646-F677 HydrophobicContact CG-CE2 3.24Å; P646-F677 HydrophobicContact CG-CZ 3.56Å; F651-F677 HydrophobicContact CE2-CD1 4.42Å; K673-F677 PolarHBondContact O-N 3.26Å; A674-F677 PolarHBondContact O-N 2.86Å; L675-F677 VanDerWaalsContact C-N 3.26Å; L675-F677 PolarHBondContact O-N 2.92Å
678	A	84	Confident	89.2	Confident	33 Å²	33	49.4 Å²	49.4	27%	0.273	24%	0.244	S	C	.	.			trans	-138.9	80.1	-176.7	0	0	0	0	0	110.9	A674 L675 E680 N681	A674-A678 PolarHBondContact O-N 3.39Å; L675-A678 CarbonylContact O-C 3.58Å; L675-A678 PolarHBondContact O-N 3.32Å; A678-E680 PolarHBondContact O-N 3.49Å; A678-N681 HydrophobicContact CB-CB 4.43Å; A678-N681 PolarHBondContact O-N 3.04Å
679	P	85.6	Confident	89.2	Confident	51 Å²	51	47.9 Å²	47.9	33%	0.331	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.4	-179.3	27.2	-34.2	0	0	0	112.8	L675 N681 W685	L675-P679 VanDerWaalsContact O-CA 3.31Å; L675-P679 WeakPolarHBondContact O-CA 3.34Å; L675-P679 WeakPolarHBondContact O-CD 3.38Å; P679-N681 VanDerWaalsContact C-N 3.29Å; P679-N681 PolarHBondContact O-N 3.15Å; P679-W685 PolarHBondContact O-NE1 3.34Å
680	E	85.9	Confident	89.2	Confident	121 Å²	121	48.5 Å²	48.5	57%	0.565	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.2	-179.1	-60.2	171.2	-177.5	0	0	112.7	A678 C682 D715	A678-E680 PolarHBondContact O-N 3.49Å; E680-C682 PolarHBondContact O-N 3.21Å; E680-C682 VanDerWaalsContact O-N 3.12Å; E680-D715 WeakPolarHBondContact O-CB 3.43Å; E680-D715 PolarHBondContact O-N 3.18Å
681	N	87.1	Confident	89.2	Confident	27 Å²	27	48.3 Å²	48.3	14%	0.144	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-79.3	99.3	-170.5	-174.8	-9.6	0	0	0	112.6	E648 A678 P679 T683 C684 W685	E648-N681 PolarHBondContact OE2-ND2 2.83Å; A678-N681 HydrophobicContact CB-CB 4.43Å; A678-N681 PolarHBondContact O-N 3.04Å; P679-N681 VanDerWaalsContact C-N 3.29Å; P679-N681 PolarHBondContact O-N 3.15Å; N681-T683 VanDerWaalsContact C-N 3.28Å; N681-T683 PolarHBondContact O-N 3.35Å; N681-T683 WeakPolarHBondContact OD1-CB 3.24Å; N681-T683 PolarHBondContact OD1-N 3.23Å; N681-T683 PolarHBondContact OD1-OG1 3.5Å; N681-C684 HydrophobicContact CB-CB 4.27Å; N681-C684 WeakPolarHBondContact O-CB 3.32Å; N681-C684 PolarHBondContact O-N 3.39Å; N681-C684 VanDerWaalsContact O-N 3.16Å; N681-C684 PolarHBondContact OD1-N 3.38Å; N681-W685 VanDerWaalsContact O-CD1 3.23Å; N681-W685 PolarHBondContact O-N 2.95Å
682	C	86	Confident	89.2	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-33.4	176.9	-75	0	0	0	0	113.9	E680 C684 W685 I686 D715 L720	E680-C682 PolarHBondContact O-N 3.21Å; E680-C682 VanDerWaalsContact O-N 3.12Å; C682-C684 PolarHBondContact O-N 3Å; C682-W685 PolarHBondContact O-N 3.25Å; C682-I686 VanDerWaalsContact O-CG1 3.23Å; C682-I686 WeakPolarHBondContact O-CG1 3.15Å; C682-I686 PolarHBondContact O-N 2.79Å; C682-D715 VanDerWaalsContact CB-O 3.25Å; C682-D715 WeakPolarHBondContact CB-O 3.46Å; C682-D715 PolarHBondContact SG-O 3.1Å; C682-L720 HydrophobicContact CB-CB 4.4Å
683	T	89.5	Confident	89.2	Confident	54 Å²	54	45.3 Å²	45.3	33%	0.331	23%	0.228	S	C	.	.	H	α-helix	trans	-66.2	-28.4	-180	70.6	0	0	0	0	112.5	N681 K687	N681-T683 VanDerWaalsContact C-N 3.28Å; N681-T683 PolarHBondContact O-N 3.35Å; N681-T683 WeakPolarHBondContact OD1-CB 3.24Å; N681-T683 PolarHBondContact OD1-N 3.23Å; N681-T683 PolarHBondContact OD1-OG1 3.5Å; T683-K687 WeakPolarHBondContact O-CB 3.47Å; T683-K687 VanDerWaalsContact O-CG 3.27Å; T683-K687 WeakPolarHBondContact O-CG 3.41Å; T683-K687 PolarHBondContact O-N 3.08Å
684	C	89.5	Confident	89.1	Confident	16 Å²	16	47 Å²	47	11%	0.108	24%	0.242	C	C	.	.	H	α-helix	trans	-73.1	-41.6	175.5	-167.2	0	0	0	0	110.9	L675 N681 C682 Y688	L675-C684 HydrophobicContact CD2-CB 3.88Å; N681-C684 HydrophobicContact CB-CB 4.27Å; N681-C684 WeakPolarHBondContact O-CB 3.32Å; N681-C684 PolarHBondContact O-N 3.39Å; N681-C684 VanDerWaalsContact O-N 3.16Å; N681-C684 PolarHBondContact OD1-N 3.38Å; C682-C684 PolarHBondContact O-N 3Å; C684-Y688 WeakPolarHBondContact O-CB 3.45Å; C684-Y688 PolarHBondContact O-N 3.16Å
685	W	92.6	Very high	89	Confident	18 Å²	18	48.9 Å²	48.9	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-48.7	174.5	-70.9	109.9	0	0	0	112.2	L675 P679 N681 C682 K687 Y688 A689 V704 L707 A708 Q711 L720	L675-W685 HydrophobicContact CB-CZ2 4.4Å; L675-W685 HydrophobicContact CD1-CD2 3.94Å; L675-W685 HydrophobicContact CD1-CE3 3.61Å; L675-W685 HydrophobicContact CD1-CH2 3.79Å; L675-W685 HydrophobicContact CD1-CZ2 4.1Å; L675-W685 HydrophobicContact CD1-CZ3 3.54Å; L675-W685 HydrophobicContact CD2-CD2 3.57Å; L675-W685 VanDerWaalsContact CD2-CE2 3.41Å; L675-W685 HydrophobicContact CD2-CE3 4.16Å; L675-W685 HydrophobicContact CD2-CG 3.86Å; L675-W685 HydrophobicContact CD2-CH2 4.41Å; L675-W685 HydrophobicContact CD2-CZ2 3.86Å; L675-W685 HydrophobicContact CG-CD2 4.38Å; L675-W685 HydrophobicContact CG-CH2 4.48Å; L675-W685 HydrophobicContact CG-CZ2 4.33Å; P679-W685 PolarHBondContact O-NE1 3.34Å; N681-W685 VanDerWaalsContact O-CD1 3.23Å; N681-W685 PolarHBondContact O-N 2.95Å; C682-W685 PolarHBondContact O-N 3.25Å; W685-K687 PolarHBondContact O-N 2.76Å; W685-Y688 PolarHBondContact O-N 2.7Å; W685-A689 PolarHBondContact O-N 3.18Å; W685-V704 HydrophobicContact CE3-CG1 3.9Å; W685-V704 HydrophobicContact CZ3-CG1 4.34Å; W685-L707 HydrophobicContact CH2-CB 4.34Å; W685-L707 HydrophobicContact CZ3-CB 4.1Å; W685-A708 HydrophobicContact CB-CB 3.87Å; W685-A708 HydrophobicContact CD2-CB 3.51Å; W685-A708 HydrophobicContact CE3-CB 3.64Å; W685-A708 HydrophobicContact CG-CB 3.64Å; W685-A708 HydrophobicContact CZ3-CB 4.33Å; W685-Q711 HydrophobicContact CZ2-CG 3.97Å; W685-L720 HydrophobicContact CB-CD1 4.07Å
686	I	91.8	Very high	88.9	Confident	18 Å²	18	50.6 Å²	50.6	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-49.8	-179.8	-66.6	167.7	0	0	0	110.3	C682 Y688 A689 E690 V719 L720	C682-I686 VanDerWaalsContact O-CG1 3.23Å; C682-I686 WeakPolarHBondContact O-CG1 3.15Å; C682-I686 PolarHBondContact O-N 2.79Å; I686-Y688 VanDerWaalsContact C-N 3.3Å; I686-Y688 PolarHBondContact O-N 3.48Å; I686-A689 PolarHBondContact O-N 3.48Å; I686-E690 HydrophobicContact CG2-CG 4.28Å; I686-E690 WeakPolarHBondContact CG2-OE1 3.32Å; I686-E690 WeakPolarHBondContact O-CB 3.43Å; I686-E690 VanDerWaalsContact O-CG 3.31Å; I686-E690 WeakPolarHBondContact O-CG 3.23Å; I686-E690 PolarHBondContact O-N 3.18Å; I686-V719 HydrophobicContact CD1-CB 4.49Å; I686-V719 HydrophobicContact CD1-CG1 3.71Å; I686-L720 HydrophobicContact CG1-CD1 3.96Å
687	K	90.1	Very high	89	Confident	51 Å²	51	46.8 Å²	46.8	22%	0.222	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-32.9	179	-71.7	176.8	-176.8	169.4	0	113.5	Y671 T683 W685 L691	Y671-K687 HydrophobicContact CE1-CB 3.94Å; T683-K687 WeakPolarHBondContact O-CB 3.47Å; T683-K687 VanDerWaalsContact O-CG 3.27Å; T683-K687 WeakPolarHBondContact O-CG 3.41Å; T683-K687 PolarHBondContact O-N 3.08Å; W685-K687 PolarHBondContact O-N 2.76Å; K687-L691 WeakPolarHBondContact O-CB 3.36Å; K687-L691 PolarHBondContact O-N 2.97Å
688	Y	92.9	Very high	89.2	Confident	11 Å²	11	43.7 Å²	43.7	4%	0.043	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-44.6	175.9	-175.7	-155.7	0	0	0	110.4	R668 Y671 E672 L675 C684 W685 I686 L691 E692 R700 V704	R668-Y688 HydrophobicContact CB-CE2 4.39Å; R668-Y688 HydrophobicContact CG-CE2 4.06Å; Y671-Y688 HydrophobicContact CD1-CG 4.39Å; Y671-Y688 AromaticContact CD2-CD2 3.59Å; Y671-Y688 HydrophobicContact CD2-CD2 3.59Å; Y671-Y688 HydrophobicContact CD2-CE2 4.32Å; Y671-Y688 HydrophobicContact CD2-CG 4.13Å; Y671-Y688 HydrophobicContact CE2-CD2 4.39Å; Y671-Y688 AromaticContact CG-CD2 3.75Å; Y671-Y688 HydrophobicContact CG-CD2 3.75Å; Y671-Y688 AromaticContact CG-CG 3.83Å; Y671-Y688 HydrophobicContact CG-CG 3.83Å; E672-Y688 HydrophobicContact CG-CE1 4.49Å; E672-Y688 PolarHBondContact OE1-OH 2.58Å; L675-Y688 HydrophobicContact CD1-CD1 3.86Å; L675-Y688 HydrophobicContact CD1-CE1 4.44Å; C684-Y688 WeakPolarHBondContact O-CB 3.45Å; C684-Y688 PolarHBondContact O-N 3.16Å; W685-Y688 PolarHBondContact O-N 2.7Å; I686-Y688 VanDerWaalsContact C-N 3.3Å; I686-Y688 PolarHBondContact O-N 3.48Å; Y688-L691 WeakPolarHBondContact O-CB 3.18Å; Y688-L691 PolarHBondContact O-N 3.43Å; Y688-E692 HydrophobicContact CD2-CG 4.33Å; Y688-E692 HydrophobicContact CE2-CG 4.09Å; Y688-E692 VanDerWaalsContact CE2-OE1 3.31Å; Y688-E692 WeakPolarHBondContact CE2-OE1 3.46Å; Y688-E692 WeakPolarHBondContact O-CG 3.44Å; Y688-E692 PolarHBondContact O-N 3.33Å; Y688-R700 PolarHBondContact OH-NH2 2.92Å; Y688-V704 HydrophobicContact CD1-CB 4.36Å; Y688-V704 HydrophobicContact CD1-CG1 3.58Å; Y688-V704 HydrophobicContact CD1-CG2 3.72Å; Y688-V704 HydrophobicContact CE1-CG1 4.26Å; Y688-V704 HydrophobicContact CE1-CG2 3.58Å; Y688-V704 HydrophobicContact CG-CG1 4.07Å; Y688-V704 HydrophobicContact CG-CG2 4.34Å
689	A	92.5	Very high	89.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-47.9	174.8	0	0	0	0	0	111.5	W685 I686 L691 E692 T693 V704 Y705	W685-A689 PolarHBondContact O-N 3.18Å; I686-A689 PolarHBondContact O-N 3.48Å; A689-L691 VanDerWaalsContact C-N 3.27Å; A689-L691 PolarHBondContact O-N 3.2Å; A689-E692 PolarHBondContact O-N 2.89Å; A689-T693 VanDerWaalsContact O-CG2 3.23Å; A689-T693 WeakPolarHBondContact O-CG2 3.44Å; A689-T693 PolarHBondContact O-N 2.93Å; A689-V704 HydrophobicContact CB-CB 4.38Å; A689-V704 HydrophobicContact CB-CG1 4.04Å; A689-Y705 HydrophobicContact CB-CD1 4.14Å; A689-Y705 HydrophobicContact CB-CD2 3.81Å; A689-Y705 HydrophobicContact CB-CE1 3.71Å; A689-Y705 HydrophobicContact CB-CE2 3.37Å; A689-Y705 HydrophobicContact CB-CG 4.18Å
690	E	91.5	Very high	89.7	Confident	94 Å²	94	50.4 Å²	50.4	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-52.3	-43.3	174.1	-75	171.9	176.7	0	0	111.8	I686 E692 T693 L694	I686-E690 HydrophobicContact CG2-CG 4.28Å; I686-E690 WeakPolarHBondContact CG2-OE1 3.32Å; I686-E690 WeakPolarHBondContact O-CB 3.43Å; I686-E690 VanDerWaalsContact O-CG 3.31Å; I686-E690 WeakPolarHBondContact O-CG 3.23Å; I686-E690 PolarHBondContact O-N 3.18Å; E690-E692 PolarHBondContact O-N 3.04Å; E690-T693 WeakPolarHBondContact CA-OG1 3.33Å; E690-T693 PolarHBondContact O-N 2.98Å; E690-T693 PolarHBondContact O-OG1 2.71Å; E690-L694 VanDerWaalsContact O-CG 3.32Å; E690-L694 WeakPolarHBondContact O-CG 3.5Å; E690-L694 PolarHBondContact O-N 3.3Å
691	L	90.5	Very high	90	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-47.1	174.9	177.9	67.4	0	0	0	111.9	L659 F664 C667 Y671 K687 Y688 A689 T693 L694 L695	L659-L691 HydrophobicContact CD1-CD1 3.52Å; F664-L691 HydrophobicContact CD1-CD1 4.32Å; C667-L691 HydrophobicContact CB-CD2 3.46Å; C667-L691 VanDerWaalsContact CB-CD2 3.46Å; Y671-L691 HydrophobicContact CD2-CD2 3.97Å; Y671-L691 HydrophobicContact CE2-CB 4.24Å; Y671-L691 HydrophobicContact CE2-CD2 3.65Å; K687-L691 WeakPolarHBondContact O-CB 3.36Å; K687-L691 PolarHBondContact O-N 2.97Å; Y688-L691 WeakPolarHBondContact O-CB 3.18Å; Y688-L691 PolarHBondContact O-N 3.43Å; A689-L691 VanDerWaalsContact C-N 3.27Å; A689-L691 PolarHBondContact O-N 3.2Å; L691-T693 VanDerWaalsContact C-N 3.31Å; L691-T693 PolarHBondContact O-N 2.94Å; L691-L694 PolarHBondContact O-N 3.22Å; L691-L695 HydrophobicContact CD1-CD1 4.47Å; L691-L695 HydrophobicContact CG-CD1 4.19Å; L691-L695 WeakPolarHBondContact O-CG 3.47Å; L691-L695 PolarHBondContact O-N 3Å; L691-L695 VanDerWaalsContact O-N 3.11Å
692	E	91.3	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-34.7	178.9	-61.5	-64.7	178	0	0	111.8	R668 Y688 A689 E690 L695 G696 D697 R700 A701	R668-E692 VanDerWaalsContact CG-OE1 3.26Å; R668-E692 WeakPolarHBondContact CG-OE1 3.38Å; R668-E692 IonicContact CZ-OE1 2.95Å; R668-E692 IonicContact CZ-OE2 3.26Å; R668-E692 IonicContact NE-OE1 2.58Å; R668-E692 PolarHBondContact NE-OE1 3.21Å; R668-E692 IonicContact NE-OE2 3.84Å; R668-E692 PolarHBondContact NE-OE2 3.4Å; R668-E692 IonicContact NH2-OE1 2.7Å; R668-E692 IonicContact NH2-OE2 2.9Å; R668-E692 PolarHBondContact NH2-OE2 3.48Å; Y688-E692 HydrophobicContact CD2-CG 4.33Å; Y688-E692 HydrophobicContact CE2-CG 4.09Å; Y688-E692 VanDerWaalsContact CE2-OE1 3.31Å; Y688-E692 WeakPolarHBondContact CE2-OE1 3.46Å; Y688-E692 WeakPolarHBondContact O-CG 3.44Å; Y688-E692 PolarHBondContact O-N 3.33Å; A689-E692 PolarHBondContact O-N 2.89Å; E690-E692 PolarHBondContact O-N 3.04Å; E692-L695 PolarHBondContact O-N 3.01Å; E692-G696 PolarHBondContact O-N 2.96Å; E692-D697 PolarHBondContact O-N 3.26Å; E692-D697 VanDerWaalsContact O-N 3.09Å; E692-R700 VanDerWaalsContact CD-NE 3.32Å; E692-R700 HydrophobicContact CG-CB 4.48Å; E692-R700 HydrophobicContact CG-CG 4.01Å; E692-R700 WeakPolarHBondContact OE1-CD 3.45Å; E692-R700 IonicContact OE1-CZ 2.71Å; E692-R700 IonicContact OE1-NE 3.99Å; E692-R700 PolarHBondContact OE1-NE 2.88Å; E692-R700 IonicContact OE1-NH2 3.88Å; E692-R700 WeakPolarHBondContact OE2-CD 3.11Å; E692-R700 IonicContact OE2-NE 2.76Å; E692-A701 HydrophobicContact CB-CB 3.88Å
693	T	90.9	Very high	90.6	Very high	43 Å²	43	47 Å²	47	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-41.8	172.6	71.3	0	0	0	0	112	A689 E690 L691 L695 G696 A701 F727	A689-T693 VanDerWaalsContact O-CG2 3.23Å; A689-T693 WeakPolarHBondContact O-CG2 3.44Å; A689-T693 PolarHBondContact O-N 2.93Å; E690-T693 WeakPolarHBondContact CA-OG1 3.33Å; E690-T693 PolarHBondContact O-N 2.98Å; E690-T693 PolarHBondContact O-OG1 2.71Å; L691-T693 VanDerWaalsContact C-N 3.31Å; L691-T693 PolarHBondContact O-N 2.94Å; T693-L695 PolarHBondContact O-N 3.34Å; T693-G696 PolarHBondContact O-N 2.89Å; T693-A701 HydrophobicContact CG2-CB 3.75Å; T693-F727 HydrophobicContact CG2-CD2 3.41Å; T693-F727 VanDerWaalsContact CG2-CD2 3.41Å; T693-F727 HydrophobicContact CG2-CE2 3.19Å; T693-F727 HydrophobicContact CG2-CG 4.49Å; T693-F727 HydrophobicContact CG2-CZ 4.15Å
694	L	88.5	Confident	90.7	Very high	142 Å²	142	44.8 Å²	44.8	74%	0.743	24%	0.242	S	C	*	.	H	α-helix	trans	-68	-25.1	178.3	-71.1	172.5	0	0	0	112.5	E690 L691 G696	E690-L694 VanDerWaalsContact O-CG 3.32Å; E690-L694 WeakPolarHBondContact O-CG 3.5Å; E690-L694 PolarHBondContact O-N 3.3Å; L691-L694 PolarHBondContact O-N 3.22Å; L694-G696 VanDerWaalsContact C-N 3.3Å
695	L	88.5	Confident	90.9	Very high	50 Å²	50	44.4 Å²	44.4	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-81	-11	173.6	-67	170.5	0	0	0	113.3	F664 L691 E692 T693 D697	F664-L695 HydrophobicContact CB-CD1 3.8Å; F664-L695 HydrophobicContact CB-CD2 4.06Å; F664-L695 HydrophobicContact CD1-CD1 4.18Å; F664-L695 HydrophobicContact CD1-CD2 3.52Å; F664-L695 HydrophobicContact CD1-CG 4.29Å; F664-L695 HydrophobicContact CD2-CD2 3.49Å; F664-L695 VanDerWaalsContact CD2-CD2 3.49Å; F664-L695 HydrophobicContact CE1-CD2 3.68Å; F664-L695 HydrophobicContact CE2-CD2 3.67Å; F664-L695 HydrophobicContact CG-CD1 4.03Å; F664-L695 HydrophobicContact CG-CD2 3.4Å; F664-L695 VanDerWaalsContact CG-CD2 3.4Å; F664-L695 HydrophobicContact CG-CG 4.32Å; F664-L695 HydrophobicContact CZ-CD2 3.75Å; L691-L695 HydrophobicContact CD1-CD1 4.47Å; L691-L695 HydrophobicContact CG-CD1 4.19Å; L691-L695 WeakPolarHBondContact O-CG 3.47Å; L691-L695 PolarHBondContact O-N 3Å; L691-L695 VanDerWaalsContact O-N 3.11Å; E692-L695 PolarHBondContact O-N 3.01Å; T693-L695 PolarHBondContact O-N 3.34Å; L695-D697 VanDerWaalsContact C-N 3.29Å
696	G	85.7	Confident	90.9	Very high	49 Å²	49	46.5 Å²	46.5	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	5.8	-175.9	0	0	0	0	0	114	E692 T693 L694 I698	E692-G696 PolarHBondContact O-N 2.96Å; T693-G696 PolarHBondContact O-N 2.89Å; L694-G696 VanDerWaalsContact C-N 3.3Å; G696-I698 VanDerWaalsContact C-N 3.29Å; G696-I698 PolarHBondContact O-N 3.45Å
697	D	89.6	Confident	90.8	Very high	76 Å²	76	50.4 Å²	50.4	41%	0.406	27%	0.27	S	S	.	.			trans	-85.2	71.4	178.5	-74.7	-27.4	0	0	0	110	R668 E692 L695 D699 R700 A701	R668-D697 IonicContact CZ-OD2 2.85Å; R668-D697 IonicContact NH2-OD2 3.6Å; R668-D697 PolarHBondContact NH2-OD2 3.05Å; E692-D697 PolarHBondContact O-N 3.26Å; E692-D697 VanDerWaalsContact O-N 3.09Å; L695-D697 VanDerWaalsContact C-N 3.29Å; D697-D699 VanDerWaalsContact C-N 3.34Å; D697-D699 PolarHBondContact O-N 3.31Å; D697-R700 HydrophobicContact CB-CB 3.95Å; D697-R700 PolarHBondContact O-N 3.35Å; D697-R700 VanDerWaalsContact O-N 3.12Å; D697-A701 PolarHBondContact O-N 2.91Å
698	I	89.2	Confident	90.8	Very high	54 Å²	54	48 Å²	48	28%	0.277	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-44.2	-173.9	-55.3	169.3	0	0	0	111.3	G696 R700 A701 R702 F727 Q731	G696-I698 VanDerWaalsContact C-N 3.29Å; G696-I698 PolarHBondContact O-N 3.45Å; I698-R700 VanDerWaalsContact C-N 3.27Å; I698-R700 PolarHBondContact O-N 3.3Å; I698-A701 PolarHBondContact O-N 3.1Å; I698-R702 VanDerWaalsContact CG2-CZ 3.45Å; I698-R702 VanDerWaalsContact CG2-NH1 3.32Å; I698-R702 WeakPolarHBondContact O-CG 3.34Å; I698-R702 PolarHBondContact O-N 3.04Å; I698-F727 HydrophobicContact CG2-CZ 3.77Å; I698-Q731 HydrophobicContact CG2-CG 4.12Å
699	D	90.7	Very high	90.6	Very high	131 Å²	131	48 Å²	48	70%	0.701	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-34.4	179.8	-65.9	-35.3	0	0	0	112.3	D697 R702 G703	D697-D699 VanDerWaalsContact C-N 3.34Å; D697-D699 PolarHBondContact O-N 3.31Å; D699-R702 IonicContact OD1-NH1 3.71Å; D699-G703 PolarHBondContact O-N 3.41Å
700	R	89.9	Confident	90.4	Very high	94 Å²	94	51.7 Å²	51.7	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-72.2	-42.9	176.9	-169.8	169.2	171.6	113.3	9.1	110.6	E672 Y688 E692 D697 I698 R702 G703 V704	E672-R700 IonicContact OE1-NH2 3.99Å; Y688-R700 PolarHBondContact OH-NH2 2.92Å; E692-R700 VanDerWaalsContact CD-NE 3.32Å; E692-R700 HydrophobicContact CG-CB 4.48Å; E692-R700 HydrophobicContact CG-CG 4.01Å; E692-R700 WeakPolarHBondContact OE1-CD 3.45Å; E692-R700 IonicContact OE1-CZ 2.71Å; E692-R700 IonicContact OE1-NE 3.99Å; E692-R700 PolarHBondContact OE1-NE 2.88Å; E692-R700 IonicContact OE1-NH2 3.88Å; E692-R700 WeakPolarHBondContact OE2-CD 3.11Å; E692-R700 IonicContact OE2-NE 2.76Å; D697-R700 HydrophobicContact CB-CB 3.95Å; D697-R700 PolarHBondContact O-N 3.35Å; D697-R700 VanDerWaalsContact O-N 3.12Å; I698-R700 VanDerWaalsContact C-N 3.27Å; I698-R700 PolarHBondContact O-N 3.3Å; R700-R702 VanDerWaalsContact C-N 3.34Å; R700-R702 PolarHBondContact O-N 3.49Å; R700-G703 PolarHBondContact O-N 3.06Å; R700-V704 WeakPolarHBondContact O-CG2 3.3Å; R700-V704 PolarHBondContact O-N 3.09Å
701	A	92.3	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-45.3	173.7	0	0	0	0	0	111.8	E692 T693 D697 I698 G703 V704 Y705 F727	E692-A701 HydrophobicContact CB-CB 3.88Å; T693-A701 HydrophobicContact CG2-CB 3.75Å; D697-A701 PolarHBondContact O-N 2.91Å; I698-A701 PolarHBondContact O-N 3.1Å; A701-G703 PolarHBondContact O-N 3.36Å; A701-V704 PolarHBondContact O-N 3.42Å; A701-Y705 VanDerWaalsContact O-CD2 3.28Å; A701-Y705 WeakPolarHBondContact O-CD2 3.35Å; A701-Y705 PolarHBondContact O-N 2.94Å; A701-F727 HydrophobicContact CB-CE1 4.35Å; A701-F727 HydrophobicContact CB-CE2 4.09Å; A701-F727 HydrophobicContact CB-CZ 3.7Å
702	R	93.2	Very high	89.7	Confident	45 Å²	45	56 Å²	56	17%	0.17	32%	0.317	C	S	.	.	H	α-helix	trans	-56.4	-48	171.8	-74.1	-176.9	177.1	123.1	9	112.2	I698 D699 R700 V704 Y705 E706 F727 E728 E733	I698-R702 VanDerWaalsContact CG2-CZ 3.45Å; I698-R702 VanDerWaalsContact CG2-NH1 3.32Å; I698-R702 WeakPolarHBondContact O-CG 3.34Å; I698-R702 PolarHBondContact O-N 3.04Å; D699-R702 IonicContact OD1-NH1 3.71Å; R700-R702 VanDerWaalsContact C-N 3.34Å; R700-R702 PolarHBondContact O-N 3.49Å; R702-V704 VanDerWaalsContact C-N 3.29Å; R702-V704 PolarHBondContact O-N 2.89Å; R702-Y705 PolarHBondContact O-N 3.32Å; R702-E706 PolarHBondContact O-N 3.07Å; R702-F727 HydrophobicContact CG-CE1 3.61Å; R702-F727 HydrophobicContact CG-CZ 4.25Å; R702-E728 WeakPolarHBondContact CD-OE1 3.5Å; R702-E728 VanDerWaalsContact CG-OE1 3.28Å; R702-E728 WeakPolarHBondContact CG-OE1 3.46Å; R702-E728 IonicContact CZ-OE1 2.98Å; R702-E728 IonicContact CZ-OE2 2.74Å; R702-E728 IonicContact NE-OE1 3.37Å; R702-E728 PolarHBondContact NE-OE1 3.41Å; R702-E728 IonicContact NE-OE2 3.2Å; R702-E728 PolarHBondContact NE-OE2 3.02Å; R702-E728 VanDerWaalsContact NE-OE2 3.1Å; R702-E728 IonicContact NH2-OE1 3.64Å; R702-E728 IonicContact NH2-OE2 3.19Å; R702-E728 PolarHBondContact NH2-OE2 3.2Å; R702-E733 VanDerWaalsContact NH2-CG 3.31Å
703	G	92	Very high	89.2	Confident	34 Å²	34	58.5 Å²	58.5	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-57.3	-41.8	176.4	0	0	0	0	0	112.6	D699 R700 A701 L707	D699-G703 PolarHBondContact O-N 3.41Å; R700-G703 PolarHBondContact O-N 3.06Å; A701-G703 PolarHBondContact O-N 3.36Å; G703-L707 WeakPolarHBondContact O-CB 3.35Å; G703-L707 WeakPolarHBondContact O-CG 3.31Å; G703-L707 PolarHBondContact O-N 3.21Å
704	V	92.7	Very high	88.8	Confident	7 Å²	7	58 Å²	58	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-44.1	176.4	174.2	0	0	0	0	111.4	W685 Y688 A689 R700 A701 R702 L707 A708	W685-V704 HydrophobicContact CE3-CG1 3.9Å; W685-V704 HydrophobicContact CZ3-CG1 4.34Å; Y688-V704 HydrophobicContact CD1-CB 4.36Å; Y688-V704 HydrophobicContact CD1-CG1 3.58Å; Y688-V704 HydrophobicContact CD1-CG2 3.72Å; Y688-V704 HydrophobicContact CE1-CG1 4.26Å; Y688-V704 HydrophobicContact CE1-CG2 3.58Å; Y688-V704 HydrophobicContact CG-CG1 4.07Å; Y688-V704 HydrophobicContact CG-CG2 4.34Å; A689-V704 HydrophobicContact CB-CB 4.38Å; A689-V704 HydrophobicContact CB-CG1 4.04Å; R700-V704 WeakPolarHBondContact O-CG2 3.3Å; R700-V704 PolarHBondContact O-N 3.09Å; A701-V704 PolarHBondContact O-N 3.42Å; R702-V704 VanDerWaalsContact C-N 3.29Å; R702-V704 PolarHBondContact O-N 2.89Å; V704-L707 PolarHBondContact O-N 3.34Å; V704-A708 WeakPolarHBondContact O-CB 3.42Å; V704-A708 PolarHBondContact O-N 2.89Å
705	Y	93	Very high	88.2	Confident	8 Å²	8	55.9 Å²	55.9	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44.1	177	-78.2	-60.3	0	0	0	113.1	A689 A701 R702 L707 A708 I709 L720 S723 Y724 F727	A689-Y705 HydrophobicContact CB-CD1 4.14Å; A689-Y705 HydrophobicContact CB-CD2 3.81Å; A689-Y705 HydrophobicContact CB-CE1 3.71Å; A689-Y705 HydrophobicContact CB-CE2 3.37Å; A689-Y705 HydrophobicContact CB-CG 4.18Å; A701-Y705 VanDerWaalsContact O-CD2 3.28Å; A701-Y705 WeakPolarHBondContact O-CD2 3.35Å; A701-Y705 PolarHBondContact O-N 2.94Å; R702-Y705 PolarHBondContact O-N 3.32Å; Y705-L707 VanDerWaalsContact C-N 3.35Å; Y705-L707 PolarHBondContact O-N 2.98Å; Y705-A708 WeakPolarHBondContact O-CB 3.42Å; Y705-A708 PolarHBondContact O-N 2.72Å; Y705-I709 WeakPolarHBondContact O-CG1 3.33Å; Y705-I709 PolarHBondContact O-N 3.1Å; Y705-L720 HydrophobicContact CD1-CD1 4.11Å; Y705-L720 HydrophobicContact CE1-CD1 4.35Å; Y705-S723 WeakPolarHBondContact CE1-OG 3.43Å; Y705-Y724 HydrophobicContact CD1-CD2 4.15Å; Y705-Y724 HydrophobicContact CD1-CG 4.12Å; Y705-Y724 AromaticContact CD2-CD2 3.44Å; Y705-Y724 HydrophobicContact CD2-CD2 3.44Å; Y705-Y724 VanDerWaalsContact CD2-CD2 3.44Å; Y705-Y724 AromaticContact CD2-CE2 3.96Å; Y705-Y724 HydrophobicContact CD2-CE2 3.96Å; Y705-Y724 HydrophobicContact CD2-CG 4.23Å; Y705-Y724 HydrophobicContact CE2-CD2 4.2Å; Y705-Y724 AromaticContact CG-CD2 3.4Å; Y705-Y724 HydrophobicContact CG-CD2 3.4Å; Y705-Y724 VanDerWaalsContact CG-CD2 3.4Å; Y705-Y724 HydrophobicContact CG-CE2 4.04Å; Y705-Y724 AromaticContact CG-CG 3.76Å; Y705-Y724 HydrophobicContact CG-CG 3.76Å; Y705-F727 AromaticContact CD2-CD1 3.81Å; Y705-F727 HydrophobicContact CD2-CD1 3.81Å; Y705-F727 HydrophobicContact CD2-CE1 4.27Å; Y705-F727 HydrophobicContact CD2-CG 4.22Å; Y705-F727 HydrophobicContact CE2-CB 3.73Å; Y705-F727 AromaticContact CE2-CD1 3.69Å; Y705-F727 HydrophobicContact CE2-CD1 3.69Å; Y705-F727 HydrophobicContact CE2-CD2 4.28Å; Y705-F727 HydrophobicContact CE2-CE1 4.36Å; Y705-F727 AromaticContact CE2-CG 3.61Å; Y705-F727 HydrophobicContact CE2-CG 3.61Å
706	E	91.5	Very high	87.9	Confident	63 Å²	63	58.5 Å²	58.5	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176	-76.6	-67.7	172.3	0	0	111.6	R702 A708 I709 S710 Y724 R743	R702-E706 PolarHBondContact O-N 3.07Å; E706-A708 VanDerWaalsContact C-N 3.31Å; E706-A708 PolarHBondContact O-N 3.31Å; E706-I709 PolarHBondContact O-N 3.46Å; E706-S710 WeakPolarHBondContact O-CB 3.17Å; E706-S710 PolarHBondContact O-N 2.97Å; E706-S710 PolarHBondContact O-OG 2.85Å; E706-Y724 HydrophobicContact CG-CE1 4.36Å; E706-Y724 PolarHBondContact OE1-OH 2.83Å; E706-R743 IonicContact OE1-CZ 2.77Å; E706-R743 IonicContact OE1-NH1 3.66Å; E706-R743 PolarHBondContact OE1-NH1 2.95Å; E706-R743 IonicContact OE1-NH2 2.92Å; E706-R743 IonicContact OE2-CZ 3.43Å; E706-R743 IonicContact OE2-NH1 2.7Å; E706-R743 PolarHBondContact OE2-NH1 2.93Å; E706-R743 IonicContact OE2-NH2 3.67Å; E706-R743 PolarHBondContact OE2-NH2 3.31Å
707	L	91	Very high	88	Confident	99 Å²	99	58.8 Å²	58.8	52%	0.518	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-40.6	173.3	-76	173.1	0	0	0	111.8	W685 G703 V704 Y705 S710 Q711	W685-L707 HydrophobicContact CH2-CB 4.34Å; W685-L707 HydrophobicContact CZ3-CB 4.1Å; G703-L707 WeakPolarHBondContact O-CB 3.35Å; G703-L707 WeakPolarHBondContact O-CG 3.31Å; G703-L707 PolarHBondContact O-N 3.21Å; V704-L707 PolarHBondContact O-N 3.34Å; Y705-L707 VanDerWaalsContact C-N 3.35Å; Y705-L707 PolarHBondContact O-N 2.98Å; L707-S710 PolarHBondContact O-N 3.38Å; L707-S710 PolarHBondContact O-OG 2.93Å; L707-Q711 PolarHBondContact O-NE2 3.45Å
708	A	90.5	Very high	87.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-47.8	177	0	0	0	0	0	111.2	W685 V704 Y705 E706 S710 Q711 L714 L720	W685-A708 HydrophobicContact CB-CB 3.87Å; W685-A708 HydrophobicContact CD2-CB 3.51Å; W685-A708 HydrophobicContact CE3-CB 3.64Å; W685-A708 HydrophobicContact CG-CB 3.64Å; W685-A708 HydrophobicContact CZ3-CB 4.33Å; V704-A708 WeakPolarHBondContact O-CB 3.42Å; V704-A708 PolarHBondContact O-N 2.89Å; Y705-A708 WeakPolarHBondContact O-CB 3.42Å; Y705-A708 PolarHBondContact O-N 2.72Å; E706-A708 VanDerWaalsContact C-N 3.31Å; E706-A708 PolarHBondContact O-N 3.31Å; A708-S710 VanDerWaalsContact C-N 3.26Å; A708-S710 PolarHBondContact O-N 3.34Å; A708-Q711 WeakPolarHBondContact O-CB 3.31Å; A708-Q711 WeakPolarHBondContact O-CG 3.42Å; A708-Q711 PolarHBondContact O-N 3.35Å; A708-Q711 VanDerWaalsContact O-N 3.12Å; A708-L714 WeakPolarHBondContact O-CD1 3.11Å; A708-L720 HydrophobicContact CB-CD1 3.89Å; A708-L720 HydrophobicContact CB-CD2 3.58Å; A708-L720 HydrophobicContact CB-CG 4.3Å
709	I	87.4	Confident	87.6	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-67.4	-26.8	-180	-70.3	168.8	0	0	0	112.7	Y705 E706 Q711 L720 W721 Y724	Y705-I709 WeakPolarHBondContact O-CG1 3.33Å; Y705-I709 PolarHBondContact O-N 3.1Å; E706-I709 PolarHBondContact O-N 3.46Å; I709-Q711 PolarHBondContact O-N 2.91Å; I709-L720 HydrophobicContact CG1-CD2 4.02Å; I709-L720 HydrophobicContact CG1-CG 4.48Å; I709-W721 HydrophobicContact CB-CZ2 4.47Å; I709-W721 HydrophobicContact CD1-CD2 4.08Å; I709-W721 HydrophobicContact CD1-CE3 3.91Å; I709-W721 HydrophobicContact CD1-CH2 4.05Å; I709-W721 HydrophobicContact CD1-CZ2 4.2Å; I709-W721 HydrophobicContact CD1-CZ3 3.9Å; I709-W721 HydrophobicContact CG1-CD2 4.47Å; I709-W721 HydrophobicContact CG1-CZ2 4.3Å; I709-W721 HydrophobicContact CG2-CH2 3.68Å; I709-W721 HydrophobicContact CG2-CZ2 3.36Å; I709-Y724 HydrophobicContact CD1-CD1 3.32Å; I709-Y724 HydrophobicContact CD1-CE1 3.89Å; I709-Y724 HydrophobicContact CD1-CG 4.28Å
710	S	87.7	Confident	87.6	Confident	79 Å²	79	57.1 Å²	57.1	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.2	175.3	75.9	0	0	0	0	114	E706 L707 A708	E706-S710 WeakPolarHBondContact O-CB 3.17Å; E706-S710 PolarHBondContact O-N 2.97Å; E706-S710 PolarHBondContact O-OG 2.85Å; L707-S710 PolarHBondContact O-N 3.38Å; L707-S710 PolarHBondContact O-OG 2.93Å; A708-S710 VanDerWaalsContact C-N 3.26Å; A708-S710 PolarHBondContact O-N 3.34Å
711	Q	87.3	Confident	87.7	Confident	59 Å²	59	53.3 Å²	53.3	28%	0.276	30%	0.303	S	S	.	.			trans	-65.9	138.6	177.3	-63.7	-53.4	-50.8	0	0	111.2	W685 L707 A708 I709 A713 L714	W685-Q711 HydrophobicContact CZ2-CG 3.97Å; L707-Q711 PolarHBondContact O-NE2 3.45Å; A708-Q711 WeakPolarHBondContact O-CB 3.31Å; A708-Q711 WeakPolarHBondContact O-CG 3.42Å; A708-Q711 PolarHBondContact O-N 3.35Å; A708-Q711 VanDerWaalsContact O-N 3.12Å; I709-Q711 PolarHBondContact O-N 2.91Å; Q711-A713 VanDerWaalsContact C-N 3.32Å; Q711-A713 PolarHBondContact O-N 2.9Å; Q711-L714 HydrophobicContact CB-CD2 3.88Å; Q711-L714 HydrophobicContact CB-CG 4.07Å; Q711-L714 HydrophobicContact CG-CD2 4.3Å
712	P	80.4	Confident	87.6	Confident	132 Å²	132	59.8 Å²	59.8	86%	0.857	33%	0.331	S	S	*	.	S	Bend	trans	-71.8	-26.7	-176.3	28	-34.6	0	0	0	113.2
713	A	81	Confident	87.5	Confident	53 Å²	53	58.5 Å²	58.5	44%	0.438	33%	0.329	S	S	.	.			trans	-138.8	123.6	-179	0	0	0	0	0	109.8	Q711	Q711-A713 VanDerWaalsContact C-N 3.32Å; Q711-A713 PolarHBondContact O-N 2.9Å
714	L	81.9	Confident	87.5	Confident	32 Å²	32	57.4 Å²	57.4	17%	0.168	31%	0.314	C	S	.	.			trans	-131.2	138.7	-178.2	-73.4	169	0	0	0	109.3	A708 Q711 P717 L720	A708-L714 WeakPolarHBondContact O-CD1 3.11Å; Q711-L714 HydrophobicContact CB-CD2 3.88Å; Q711-L714 HydrophobicContact CB-CG 4.07Å; Q711-L714 HydrophobicContact CG-CD2 4.3Å; L714-P717 HydrophobicContact CB-CB 4.44Å; L714-P717 HydrophobicContact CB-CG 4.06Å; L714-L720 HydrophobicContact CD1-CD2 3.66Å; L714-L720 HydrophobicContact CD2-CD2 4.31Å
715	D	77	Confident	87.5	Confident	98 Å²	98	57.3 Å²	57.3	52%	0.524	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-81	118.4	171.6	-172	14.7	0	0	0	109.7	E680 C682	E680-D715 WeakPolarHBondContact O-CB 3.43Å; E680-D715 PolarHBondContact O-N 3.18Å; C682-D715 VanDerWaalsContact CB-O 3.25Å; C682-D715 WeakPolarHBondContact CB-O 3.46Å; C682-D715 PolarHBondContact SG-O 3.1Å
716	M	82.6	Confident	87.4	Confident	104 Å²	104	60.6 Å²	60.6	51%	0.512	33%	0.332	S	S	.	.	S	Bend	trans	52.1	69	-173	-52.6	-174.4	-56.3	0	0	114.6	E718 V719	M716-E718 PolarHBondContact O-N 3.4Å; M716-E718 VanDerWaalsContact O-N 3.15Å; M716-V719 HydrophobicContact CB-CG2 4.14Å; M716-V719 HydrophobicContact CE-CG2 4.4Å; M716-V719 PolarHBondContact O-N 3.16Å
717	P	86.5	Confident	87.4	Confident	56 Å²	56	58 Å²	58	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-31.9	-179.4	-20.3	30.1	0	0	0	113.7	L714 V719 L720 W721	L714-P717 HydrophobicContact CB-CB 4.44Å; L714-P717 HydrophobicContact CB-CG 4.06Å; P717-V719 VanDerWaalsContact C-N 3.26Å; P717-V719 PolarHBondContact O-N 3.06Å; P717-L720 WeakPolarHBondContact O-CB 3.46Å; P717-L720 PolarHBondContact O-N 2.85Å; P717-L720 VanDerWaalsContact O-N 3.14Å; P717-W721 VanDerWaalsContact O-CD1 3.23Å; P717-W721 PolarHBondContact O-N 3.26Å
718	E	83.7	Confident	87.5	Confident	155 Å²	155	53.4 Å²	53.4	72%	0.724	30%	0.295	S	S	*	.	H	α-helix	trans	-56.3	-39.2	-178.5	-60.6	-179.3	177	0	0	112.6	M716 K722	M716-E718 PolarHBondContact O-N 3.4Å; M716-E718 VanDerWaalsContact O-N 3.15Å; E718-K722 WeakPolarHBondContact O-CB 3.32Å; E718-K722 PolarHBondContact O-N 2.83Å
719	V	88.4	Confident	87.5	Confident	70 Å²	70	55.9 Å²	55.9	42%	0.424	31%	0.308	S	S	.	.	H	α-helix	trans	-69.1	-39.5	-179.1	-175.8	0	0	0	0	110.5	I686 M716 P717 S723	I686-V719 HydrophobicContact CD1-CB 4.49Å; I686-V719 HydrophobicContact CD1-CG1 3.71Å; M716-V719 HydrophobicContact CB-CG2 4.14Å; M716-V719 HydrophobicContact CE-CG2 4.4Å; M716-V719 PolarHBondContact O-N 3.16Å; P717-V719 VanDerWaalsContact C-N 3.26Å; P717-V719 PolarHBondContact O-N 3.06Å; V719-S723 WeakPolarHBondContact O-CB 3.44Å; V719-S723 PolarHBondContact O-N 3.04Å; V719-S723 PolarHBondContact O-OG 3.3Å
720	L	90.9	Very high	87.6	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-48	177.2	-178.4	70.6	0	0	0	111.3	C682 W685 I686 Y705 A708 I709 L714 P717 K722 S723 Y724	C682-L720 HydrophobicContact CB-CB 4.4Å; W685-L720 HydrophobicContact CB-CD1 4.07Å; I686-L720 HydrophobicContact CG1-CD1 3.96Å; Y705-L720 HydrophobicContact CD1-CD1 4.11Å; Y705-L720 HydrophobicContact CE1-CD1 4.35Å; A708-L720 HydrophobicContact CB-CD1 3.89Å; A708-L720 HydrophobicContact CB-CD2 3.58Å; A708-L720 HydrophobicContact CB-CG 4.3Å; I709-L720 HydrophobicContact CG1-CD2 4.02Å; I709-L720 HydrophobicContact CG1-CG 4.48Å; L714-L720 HydrophobicContact CD1-CD2 3.66Å; L714-L720 HydrophobicContact CD2-CD2 4.31Å; P717-L720 WeakPolarHBondContact O-CB 3.46Å; P717-L720 PolarHBondContact O-N 2.85Å; P717-L720 VanDerWaalsContact O-N 3.14Å; L720-K722 PolarHBondContact O-N 2.94Å; L720-S723 PolarHBondContact O-N 3.45Å; L720-S723 PolarHBondContact O-OG 3.39Å; L720-Y724 PolarHBondContact O-N 2.89Å
721	W	91.1	Very high	87.6	Confident	15 Å²	15	58.4 Å²	58.4	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-46.1	177.6	-81.8	103.5	0	0	0	112.4	I709 P717 S723 Y724 I725 L740 R743 L744 K747	I709-W721 HydrophobicContact CB-CZ2 4.47Å; I709-W721 HydrophobicContact CD1-CD2 4.08Å; I709-W721 HydrophobicContact CD1-CE3 3.91Å; I709-W721 HydrophobicContact CD1-CH2 4.05Å; I709-W721 HydrophobicContact CD1-CZ2 4.2Å; I709-W721 HydrophobicContact CD1-CZ3 3.9Å; I709-W721 HydrophobicContact CG1-CD2 4.47Å; I709-W721 HydrophobicContact CG1-CZ2 4.3Å; I709-W721 HydrophobicContact CG2-CH2 3.68Å; I709-W721 HydrophobicContact CG2-CZ2 3.36Å; P717-W721 VanDerWaalsContact O-CD1 3.23Å; P717-W721 PolarHBondContact O-N 3.26Å; W721-S723 VanDerWaalsContact C-N 3.35Å; W721-S723 PolarHBondContact O-N 3.49Å; W721-Y724 PolarHBondContact O-N 3.21Å; W721-I725 WeakPolarHBondContact O-CG1 3.39Å; W721-I725 PolarHBondContact O-N 3.38Å; W721-L740 HydrophobicContact CZ3-CD2 4.39Å; W721-R743 HydrophobicContact CH2-CB 4.3Å; W721-R743 HydrophobicContact CZ3-CB 4.45Å; W721-L744 HydrophobicContact CB-CD1 4.25Å; W721-L744 HydrophobicContact CB-CD2 4.24Å; W721-L744 HydrophobicContact CD2-CD1 3.79Å; W721-L744 HydrophobicContact CE3-CB 4.15Å; W721-L744 HydrophobicContact CE3-CD1 4.22Å; W721-L744 HydrophobicContact CG-CD1 3.78Å; W721-L744 HydrophobicContact CZ3-CB 4.31Å; W721-K747 HydrophobicContact CZ2-CD 3.9Å
722	K	90	Very high	87.5	Confident	135 Å²	135	62.8 Å²	62.8	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-58.3	-48.5	175.5	-176.6	-177.8	174.8	-175.7	0	111	E718 L720 Y724 I725 D726	E718-K722 WeakPolarHBondContact O-CB 3.32Å; E718-K722 PolarHBondContact O-N 2.83Å; L720-K722 PolarHBondContact O-N 2.94Å; K722-Y724 VanDerWaalsContact C-N 3.26Å; K722-Y724 PolarHBondContact O-N 3.42Å; K722-I725 PolarHBondContact O-N 3.33Å; K722-D726 WeakPolarHBondContact CE-OD2 3.28Å; K722-D726 WeakPolarHBondContact O-CB 3.38Å; K722-D726 VanDerWaalsContact O-CG 3.23Å; K722-D726 PolarHBondContact O-N 3Å
723	S	90.7	Very high	88	Confident	19 Å²	19	60.8 Å²	60.8	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-33.8	179.6	70.9	0	0	0	0	113.2	Y705 V719 L720 W721 F727	Y705-S723 WeakPolarHBondContact CE1-OG 3.43Å; V719-S723 WeakPolarHBondContact O-CB 3.44Å; V719-S723 PolarHBondContact O-N 3.04Å; V719-S723 PolarHBondContact O-OG 3.3Å; L720-S723 PolarHBondContact O-N 3.45Å; L720-S723 PolarHBondContact O-OG 3.39Å; W721-S723 VanDerWaalsContact C-N 3.35Å; W721-S723 PolarHBondContact O-N 3.49Å; S723-F727 VanDerWaalsContact O-CB 3.25Å; S723-F727 WeakPolarHBondContact O-CB 3.4Å; S723-F727 PolarHBondContact O-N 3.21Å
724	Y	93.3	Very high	88.2	Confident	11 Å²	11	61 Å²	61	4%	0.043	31%	0.31	C	S	.	.	H	α-helix	trans	-73.4	-40.7	178.3	-173.3	-155.4	0	0	0	112.1	Y705 E706 I709 L720 W721 K722 F727 E728 L740	Y705-Y724 HydrophobicContact CD1-CD2 4.15Å; Y705-Y724 HydrophobicContact CD1-CG 4.12Å; Y705-Y724 AromaticContact CD2-CD2 3.44Å; Y705-Y724 HydrophobicContact CD2-CD2 3.44Å; Y705-Y724 VanDerWaalsContact CD2-CD2 3.44Å; Y705-Y724 AromaticContact CD2-CE2 3.96Å; Y705-Y724 HydrophobicContact CD2-CE2 3.96Å; Y705-Y724 HydrophobicContact CD2-CG 4.23Å; Y705-Y724 HydrophobicContact CE2-CD2 4.2Å; Y705-Y724 AromaticContact CG-CD2 3.4Å; Y705-Y724 HydrophobicContact CG-CD2 3.4Å; Y705-Y724 VanDerWaalsContact CG-CD2 3.4Å; Y705-Y724 HydrophobicContact CG-CE2 4.04Å; Y705-Y724 AromaticContact CG-CG 3.76Å; Y705-Y724 HydrophobicContact CG-CG 3.76Å; E706-Y724 HydrophobicContact CG-CE1 4.36Å; E706-Y724 PolarHBondContact OE1-OH 2.83Å; I709-Y724 HydrophobicContact CD1-CD1 3.32Å; I709-Y724 HydrophobicContact CD1-CE1 3.89Å; I709-Y724 HydrophobicContact CD1-CG 4.28Å; L720-Y724 PolarHBondContact O-N 2.89Å; W721-Y724 PolarHBondContact O-N 3.21Å; K722-Y724 VanDerWaalsContact C-N 3.26Å; K722-Y724 PolarHBondContact O-N 3.42Å; Y724-F727 AromaticContact CD2-CD1 3.99Å; Y724-F727 HydrophobicContact CD2-CD1 3.99Å; Y724-F727 HydrophobicContact CE2-CD1 4.1Å; Y724-F727 WeakPolarHBondContact O-CB 3.49Å; Y724-F727 PolarHBondContact O-N 3.03Å; Y724-E728 HydrophobicContact CD2-CG 4.38Å; Y724-E728 HydrophobicContact CE2-CG 4.02Å; Y724-E728 WeakPolarHBondContact CE2-OE1 3.21Å; Y724-E728 PolarHBondContact O-N 2.91Å; Y724-L740 HydrophobicContact CD1-CD1 3.55Å; Y724-L740 HydrophobicContact CD1-CD2 3.62Å; Y724-L740 HydrophobicContact CD1-CG 4.22Å; Y724-L740 HydrophobicContact CD2-CD1 4.07Å; Y724-L740 HydrophobicContact CE1-CD1 3.62Å; Y724-L740 HydrophobicContact CE1-CD2 3.26Å; Y724-L740 HydrophobicContact CE1-CG 4.07Å; Y724-L740 HydrophobicContact CE2-CD1 4.05Å; Y724-L740 HydrophobicContact CG-CD1 3.82Å
725	I	91.4	Very high	88.6	Confident	5 Å²	5	62 Å²	62	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-49.6	174.3	-68.9	167.1	0	0	0	110.1	W721 K722 F727 E728 I729 L740 Y741 L744	W721-I725 WeakPolarHBondContact O-CG1 3.39Å; W721-I725 PolarHBondContact O-N 3.38Å; K722-I725 PolarHBondContact O-N 3.33Å; I725-F727 PolarHBondContact O-N 3.11Å; I725-E728 PolarHBondContact O-N 3.43Å; I725-E728 VanDerWaalsContact O-N 3.16Å; I725-I729 HydrophobicContact CG2-CD1 3.68Å; I725-I729 HydrophobicContact CG2-CG1 4.33Å; I725-I729 VanDerWaalsContact O-CG1 3.23Å; I725-I729 WeakPolarHBondContact O-CG1 3.38Å; I725-I729 PolarHBondContact O-N 3.36Å; I725-L740 HydrophobicContact CG1-CB 3.9Å; I725-L740 HydrophobicContact CG1-CD1 4.33Å; I725-Y741 HydrophobicContact CD1-CD1 3.96Å; I725-Y741 HydrophobicContact CD1-CE1 3.91Å; I725-Y741 HydrophobicContact CD1-CG 4.4Å; I725-Y741 HydrophobicContact CG2-CD2 4.26Å; I725-Y741 HydrophobicContact CG2-CE1 4.16Å; I725-Y741 HydrophobicContact CG2-CE2 3.51Å; I725-Y741 VanDerWaalsContact CG2-CZ 3.46Å; I725-Y741 WeakPolarHBondContact CG2-OH 3.5Å; I725-L744 HydrophobicContact CD1-CD2 3.96Å
726	D	91.2	Very high	89.2	Confident	77 Å²	77	59.7 Å²	59.7	41%	0.412	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-36.7	177.2	-69.5	-15.1	0	0	0	111	K722 I729 S730	K722-D726 WeakPolarHBondContact CE-OD2 3.28Å; K722-D726 WeakPolarHBondContact O-CB 3.38Å; K722-D726 VanDerWaalsContact O-CG 3.23Å; K722-D726 PolarHBondContact O-N 3Å; D726-I729 PolarHBondContact O-N 3.45Å; D726-S730 WeakPolarHBondContact O-CB 3.14Å; D726-S730 PolarHBondContact O-N 3.31Å
727	F	92.4	Very high	89.6	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-51.8	173.5	167.1	-106.8	0	0	0	112.4	T693 I698 A701 R702 Y705 S723 Y724 I725 I729 S730 Q731	T693-F727 HydrophobicContact CG2-CD2 3.41Å; T693-F727 VanDerWaalsContact CG2-CD2 3.41Å; T693-F727 HydrophobicContact CG2-CE2 3.19Å; T693-F727 HydrophobicContact CG2-CG 4.49Å; T693-F727 HydrophobicContact CG2-CZ 4.15Å; I698-F727 HydrophobicContact CG2-CZ 3.77Å; A701-F727 HydrophobicContact CB-CE1 4.35Å; A701-F727 HydrophobicContact CB-CE2 4.09Å; A701-F727 HydrophobicContact CB-CZ 3.7Å; R702-F727 HydrophobicContact CG-CE1 3.61Å; R702-F727 HydrophobicContact CG-CZ 4.25Å; Y705-F727 AromaticContact CD2-CD1 3.81Å; Y705-F727 HydrophobicContact CD2-CD1 3.81Å; Y705-F727 HydrophobicContact CD2-CE1 4.27Å; Y705-F727 HydrophobicContact CD2-CG 4.22Å; Y705-F727 HydrophobicContact CE2-CB 3.73Å; Y705-F727 AromaticContact CE2-CD1 3.69Å; Y705-F727 HydrophobicContact CE2-CD1 3.69Å; Y705-F727 HydrophobicContact CE2-CD2 4.28Å; Y705-F727 HydrophobicContact CE2-CE1 4.36Å; Y705-F727 AromaticContact CE2-CG 3.61Å; Y705-F727 HydrophobicContact CE2-CG 3.61Å; S723-F727 VanDerWaalsContact O-CB 3.25Å; S723-F727 WeakPolarHBondContact O-CB 3.4Å; S723-F727 PolarHBondContact O-N 3.21Å; Y724-F727 AromaticContact CD2-CD1 3.99Å; Y724-F727 HydrophobicContact CD2-CD1 3.99Å; Y724-F727 HydrophobicContact CE2-CD1 4.1Å; Y724-F727 WeakPolarHBondContact O-CB 3.49Å; Y724-F727 PolarHBondContact O-N 3.03Å; I725-F727 PolarHBondContact O-N 3.11Å; F727-I729 VanDerWaalsContact C-N 3.29Å; F727-I729 PolarHBondContact O-N 2.87Å; F727-S730 WeakPolarHBondContact O-CB 3.29Å; F727-S730 PolarHBondContact O-N 3.27Å; F727-S730 VanDerWaalsContact O-N 3.11Å; F727-S730 PolarHBondContact O-OG 3.16Å; F727-Q731 HydrophobicContact CD2-CG 4.11Å; F727-Q731 HydrophobicContact CE2-CG 3.65Å; F727-Q731 HydrophobicContact CZ-CG 3.96Å; F727-Q731 WeakPolarHBondContact O-CG 3.47Å; F727-Q731 PolarHBondContact O-N 3.34Å; F727-Q731 VanDerWaalsContact O-N 3.12Å
728	E	92.4	Very high	89.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-34.9	178	-67.4	-63.7	162.8	0	0	112.3	R702 Y724 I725 S730 Q731 E732 E733 N736 A737 L740	R702-E728 WeakPolarHBondContact CD-OE1 3.5Å; R702-E728 VanDerWaalsContact CG-OE1 3.28Å; R702-E728 WeakPolarHBondContact CG-OE1 3.46Å; R702-E728 IonicContact CZ-OE1 2.98Å; R702-E728 IonicContact CZ-OE2 2.74Å; R702-E728 IonicContact NE-OE1 3.37Å; R702-E728 PolarHBondContact NE-OE1 3.41Å; R702-E728 IonicContact NE-OE2 3.2Å; R702-E728 PolarHBondContact NE-OE2 3.02Å; R702-E728 VanDerWaalsContact NE-OE2 3.1Å; R702-E728 IonicContact NH2-OE1 3.64Å; R702-E728 IonicContact NH2-OE2 3.19Å; R702-E728 PolarHBondContact NH2-OE2 3.2Å; Y724-E728 HydrophobicContact CD2-CG 4.38Å; Y724-E728 HydrophobicContact CE2-CG 4.02Å; Y724-E728 WeakPolarHBondContact CE2-OE1 3.21Å; Y724-E728 PolarHBondContact O-N 2.91Å; I725-E728 PolarHBondContact O-N 3.43Å; I725-E728 VanDerWaalsContact O-N 3.16Å; E728-S730 VanDerWaalsContact C-N 3.35Å; E728-Q731 PolarHBondContact O-N 2.93Å; E728-E732 PolarHBondContact O-N 3.39Å; E728-E733 PolarHBondContact O-N 3.05Å; E728-E733 VanDerWaalsContact O-N 3.13Å; E728-N736 HydrophobicContact CB-CB 4.47Å; E728-N736 HydrophobicContact CG-CB 4.11Å; E728-N736 PolarHBondContact OE2-ND2 3.15Å; E728-A737 HydrophobicContact CB-CB 4.17Å; E728-L740 HydrophobicContact CB-CD1 4.41Å; E728-L740 HydrophobicContact CG-CD1 3.66Å
729	I	90.5	Very high	90.2	Very high	53 Å²	53	52 Å²	52	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-43.2	172.8	-64.9	170.4	0	0	0	110.4	I725 D726 F727 Q731 E732 A737 F760	I725-I729 HydrophobicContact CG2-CD1 3.68Å; I725-I729 HydrophobicContact CG2-CG1 4.33Å; I725-I729 VanDerWaalsContact O-CG1 3.23Å; I725-I729 WeakPolarHBondContact O-CG1 3.38Å; I725-I729 PolarHBondContact O-N 3.36Å; D726-I729 PolarHBondContact O-N 3.45Å; F727-I729 VanDerWaalsContact C-N 3.29Å; F727-I729 PolarHBondContact O-N 2.87Å; I729-Q731 PolarHBondContact O-N 3.48Å; I729-E732 PolarHBondContact O-N 3.06Å; I729-E732 VanDerWaalsContact O-N 3.12Å; I729-A737 HydrophobicContact CG1-CB 4.03Å; I729-F760 HydrophobicContact CD1-CD2 3.58Å; I729-F760 HydrophobicContact CD1-CE2 4.04Å; I729-F760 HydrophobicContact CD1-CG 4.47Å; I729-F760 HydrophobicContact CG1-CD2 3.77Å; I729-F760 HydrophobicContact CG1-CE2 3.67Å
730	S	88.8	Confident	90.3	Very high	77 Å²	77	48.9 Å²	48.9	54%	0.538	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-25.1	178.8	77.8	0	0	0	0	113.9	D726 F727 E728 E732	D726-S730 WeakPolarHBondContact O-CB 3.14Å; D726-S730 PolarHBondContact O-N 3.31Å; F727-S730 WeakPolarHBondContact O-CB 3.29Å; F727-S730 PolarHBondContact O-N 3.27Å; F727-S730 VanDerWaalsContact O-N 3.11Å; F727-S730 PolarHBondContact O-OG 3.16Å; E728-S730 VanDerWaalsContact C-N 3.35Å; S730-E732 VanDerWaalsContact C-N 3.33Å
731	Q	88.2	Confident	90.3	Very high	66 Å²	66	49.5 Å²	49.5	31%	0.308	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.8	176.8	-58.7	-55	-60.2	0	0	112.6	I698 F727 E728 I729 E733	I698-Q731 HydrophobicContact CG2-CG 4.12Å; F727-Q731 HydrophobicContact CD2-CG 4.11Å; F727-Q731 HydrophobicContact CE2-CG 3.65Å; F727-Q731 HydrophobicContact CZ-CG 3.96Å; F727-Q731 WeakPolarHBondContact O-CG 3.47Å; F727-Q731 PolarHBondContact O-N 3.34Å; F727-Q731 VanDerWaalsContact O-N 3.12Å; E728-Q731 PolarHBondContact O-N 2.93Å; I729-Q731 PolarHBondContact O-N 3.48Å; Q731-E733 PolarHBondContact O-N 3.46Å; Q731-E733 VanDerWaalsContact O-N 3.13Å
732	E	86.1	Confident	90.3	Very high	151 Å²	151	53.9 Å²	53.9	71%	0.706	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	16.4	-178.6	-58.1	179	176.1	0	0	114.5	E728 I729 S730 F734	E728-E732 PolarHBondContact O-N 3.39Å; I729-E732 PolarHBondContact O-N 3.06Å; I729-E732 VanDerWaalsContact O-N 3.12Å; S730-E732 VanDerWaalsContact C-N 3.33Å; E732-F734 VanDerWaalsContact C-N 3.26Å; E732-F734 HydrophobicContact CB-CE2 4.35Å; E732-F734 HydrophobicContact CB-CZ 4.23Å; E732-F734 HydrophobicContact CG-CZ 4.43Å; E732-F734 WeakPolarHBondContact O-CD2 3.38Å; E732-F734 PolarHBondContact O-N 2.92Å
733	E	89	Confident	90.3	Very high	89 Å²	89	51.8 Å²	51.8	42%	0.416	26%	0.259	S	S	.	.			trans	-87.8	65.1	177.6	-72	-66.6	177.5	0	0	110.9	R702 E728 Q731 A735 N736 A737	R702-E733 VanDerWaalsContact NH2-CG 3.31Å; E728-E733 PolarHBondContact O-N 3.05Å; E728-E733 VanDerWaalsContact O-N 3.13Å; Q731-E733 PolarHBondContact O-N 3.46Å; Q731-E733 VanDerWaalsContact O-N 3.13Å; E733-A735 PolarHBondContact O-N 3.49Å; E733-A735 VanDerWaalsContact O-N 3.13Å; E733-N736 HydrophobicContact CB-CB 4.3Å; E733-N736 PolarHBondContact O-N 3.39Å; E733-A737 PolarHBondContact O-N 3.05Å; E733-A737 VanDerWaalsContact O-N 3.13Å
734	F	87.2	Confident	90.2	Very high	59 Å²	59	51.9 Å²	51.9	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-30.5	-175.1	-55.7	-53.5	0	0	0	113.3	E732 A737 R738 F760 T764	E732-F734 VanDerWaalsContact C-N 3.26Å; E732-F734 HydrophobicContact CB-CE2 4.35Å; E732-F734 HydrophobicContact CB-CZ 4.23Å; E732-F734 HydrophobicContact CG-CZ 4.43Å; E732-F734 WeakPolarHBondContact O-CD2 3.38Å; E732-F734 PolarHBondContact O-N 2.92Å; F734-A737 PolarHBondContact O-N 3.02Å; F734-R738 VanDerWaalsContact O-CG 3.23Å; F734-R738 WeakPolarHBondContact O-CG 3.36Å; F734-R738 PolarHBondContact O-N 3.39Å; F734-F760 HydrophobicContact CB-CZ 4.02Å; F734-F760 AromaticContact CD1-CE2 3.79Å; F734-F760 HydrophobicContact CD1-CE2 3.79Å; F734-F760 AromaticContact CD1-CZ 3.96Å; F734-F760 HydrophobicContact CD1-CZ 3.96Å; F734-F760 HydrophobicContact CG-CZ 4.42Å; F734-T764 HydrophobicContact CD1-CG2 4.37Å; F734-T764 HydrophobicContact CG-CG2 4.46Å
735	A	89.3	Confident	89.9	Confident	52 Å²	52	52.1 Å²	52.1	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176	0	0	0	0	0	112.3	E733 Q739	E733-A735 PolarHBondContact O-N 3.49Å; E733-A735 VanDerWaalsContact O-N 3.13Å; A735-Q739 WeakPolarHBondContact O-CG 3.28Å; A735-Q739 PolarHBondContact O-N 3.01Å
736	N	89.8	Confident	89.7	Confident	49 Å²	49	59.6 Å²	59.6	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-69.6	-43.6	176.8	-65.6	-18.9	0	0	0	110.5	E728 E733 R738 Q739 L740	E728-N736 HydrophobicContact CB-CB 4.47Å; E728-N736 HydrophobicContact CG-CB 4.11Å; E728-N736 PolarHBondContact OE2-ND2 3.15Å; E733-N736 HydrophobicContact CB-CB 4.3Å; E733-N736 PolarHBondContact O-N 3.39Å; N736-R738 VanDerWaalsContact C-N 3.29Å; N736-R738 PolarHBondContact O-N 3.24Å; N736-Q739 WeakPolarHBondContact O-CB 3.46Å; N736-Q739 PolarHBondContact O-N 2.98Å; N736-L740 WeakPolarHBondContact O-CG 3.17Å; N736-L740 PolarHBondContact O-N 2.86Å
737	A	90.4	Very high	89.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.5	-43.4	175.9	0	0	0	0	0	111.8	E728 I729 E733 F734 Q739 L740 Y741 F760	E728-A737 HydrophobicContact CB-CB 4.17Å; I729-A737 HydrophobicContact CG1-CB 4.03Å; E733-A737 PolarHBondContact O-N 3.05Å; E733-A737 VanDerWaalsContact O-N 3.13Å; F734-A737 PolarHBondContact O-N 3.02Å; A737-Q739 PolarHBondContact O-N 2.88Å; A737-L740 PolarHBondContact O-N 3.29Å; A737-Y741 VanDerWaalsContact O-CD2 3.22Å; A737-Y741 WeakPolarHBondContact O-CD2 3.22Å; A737-Y741 PolarHBondContact O-N 3.39Å; A737-F760 HydrophobicContact CB-CE1 4.48Å; A737-F760 HydrophobicContact CB-CE2 4.04Å; A737-F760 HydrophobicContact CB-CZ 3.81Å
738	R	90.5	Very high	88.9	Confident	43 Å²	43	64.9 Å²	64.9	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-44.3	174.1	-71.4	169.8	-179.7	131.6	-1.9	112.8	F734 N736 L740 Y741 Q742 F757 F760 E761 E766	F734-R738 VanDerWaalsContact O-CG 3.23Å; F734-R738 WeakPolarHBondContact O-CG 3.36Å; F734-R738 PolarHBondContact O-N 3.39Å; N736-R738 VanDerWaalsContact C-N 3.29Å; N736-R738 PolarHBondContact O-N 3.24Å; R738-L740 VanDerWaalsContact C-N 3.32Å; R738-Y741 PolarHBondContact O-N 2.89Å; R738-Q742 VanDerWaalsContact O-CG 3.32Å; R738-Q742 WeakPolarHBondContact O-CG 3.28Å; R738-Q742 PolarHBondContact O-N 3.47Å; R738-F757 HydrophobicContact CG-CE2 4.24Å; R738-F760 HydrophobicContact CG-CE1 3.71Å; R738-F760 HydrophobicContact CG-CZ 4.39Å; R738-E761 WeakPolarHBondContact CD-OE1 3.41Å; R738-E761 WeakPolarHBondContact CG-OE1 3.35Å; R738-E761 IonicContact CZ-OE1 3.51Å; R738-E761 IonicContact CZ-OE2 3.71Å; R738-E761 IonicContact NE-OE1 3.41Å; R738-E761 PolarHBondContact NE-OE1 2.79Å; R738-E761 IonicContact NE-OE2 3.01Å; R738-E761 PolarHBondContact NE-OE2 3.5Å; R738-E761 IonicContact NH2-OE1 2.71Å; R738-E761 IonicContact NH2-OE2 3.46Å; R738-E761 PolarHBondContact NH2-OE2 3.15Å; R738-E761 VanDerWaalsContact NH2-OE2 3.1Å; R738-E766 IonicContact CZ-OE1 3.71Å; R738-E766 IonicContact CZ-OE2 3.24Å; R738-E766 IonicContact NH1-OE1 2.59Å; R738-E766 PolarHBondContact NH1-OE1 3.14Å; R738-E766 IonicContact NH1-OE2 2.81Å; R738-E766 IonicContact NH2-OE1 3.12Å; R738-E766 PolarHBondContact NH2-OE1 3.1Å; R738-E766 IonicContact NH2-OE2 3.52Å; R738-E766 PolarHBondContact NH2-OE2 2.78Å
739	Q	91.7	Very high	88.4	Confident	111 Å²	111	70.6 Å²	70.6	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-38.3	176.9	-69.1	177.2	22	0	0	111.6	A735 N736 A737 Q742 R743	A735-Q739 WeakPolarHBondContact O-CG 3.28Å; A735-Q739 PolarHBondContact O-N 3.01Å; N736-Q739 WeakPolarHBondContact O-CB 3.46Å; N736-Q739 PolarHBondContact O-N 2.98Å; A737-Q739 PolarHBondContact O-N 2.88Å; Q739-Q742 PolarHBondContact O-N 3.48Å; Q739-R743 WeakPolarHBondContact O-CB 3.47Å; Q739-R743 WeakPolarHBondContact O-CG 3.29Å; Q739-R743 PolarHBondContact O-N 3.05Å
740	L	91.3	Very high	88.1	Confident	4 Å²	4	71.1 Å²	71.1	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-43.6	175.7	-67.6	177.7	0	0	0	112.1	W721 Y724 I725 E728 N736 A737 R738 Q742 R743 L744	W721-L740 HydrophobicContact CZ3-CD2 4.39Å; Y724-L740 HydrophobicContact CD1-CD1 3.55Å; Y724-L740 HydrophobicContact CD1-CD2 3.62Å; Y724-L740 HydrophobicContact CD1-CG 4.22Å; Y724-L740 HydrophobicContact CD2-CD1 4.07Å; Y724-L740 HydrophobicContact CE1-CD1 3.62Å; Y724-L740 HydrophobicContact CE1-CD2 3.26Å; Y724-L740 HydrophobicContact CE1-CG 4.07Å; Y724-L740 HydrophobicContact CE2-CD1 4.05Å; Y724-L740 HydrophobicContact CG-CD1 3.82Å; I725-L740 HydrophobicContact CG1-CB 3.9Å; I725-L740 HydrophobicContact CG1-CD1 4.33Å; E728-L740 HydrophobicContact CB-CD1 4.41Å; E728-L740 HydrophobicContact CG-CD1 3.66Å; N736-L740 WeakPolarHBondContact O-CG 3.17Å; N736-L740 PolarHBondContact O-N 2.86Å; A737-L740 PolarHBondContact O-N 3.29Å; R738-L740 VanDerWaalsContact C-N 3.32Å; L740-Q742 VanDerWaalsContact C-N 3.33Å; L740-Q742 PolarHBondContact O-N 3.06Å; L740-R743 PolarHBondContact O-N 3.41Å; L740-L744 WeakPolarHBondContact O-CB 3.41Å; L740-L744 PolarHBondContact O-N 2.68Å
741	Y	91.1	Very high	87.9	Confident	13 Å²	13	67.8 Å²	67.8	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-44.3	172.1	-82.5	-64.9	0	0	0	111.8	I725 A737 R738 L744 L745 V753 S756 F757 F760	I725-Y741 HydrophobicContact CD1-CD1 3.96Å; I725-Y741 HydrophobicContact CD1-CE1 3.91Å; I725-Y741 HydrophobicContact CD1-CG 4.4Å; I725-Y741 HydrophobicContact CG2-CD2 4.26Å; I725-Y741 HydrophobicContact CG2-CE1 4.16Å; I725-Y741 HydrophobicContact CG2-CE2 3.51Å; I725-Y741 VanDerWaalsContact CG2-CZ 3.46Å; I725-Y741 WeakPolarHBondContact CG2-OH 3.5Å; A737-Y741 VanDerWaalsContact O-CD2 3.22Å; A737-Y741 WeakPolarHBondContact O-CD2 3.22Å; A737-Y741 PolarHBondContact O-N 3.39Å; R738-Y741 PolarHBondContact O-N 2.89Å; Y741-L744 PolarHBondContact O-N 3.08Å; Y741-L745 WeakPolarHBondContact O-CB 3.38Å; Y741-L745 VanDerWaalsContact O-CG 3.24Å; Y741-L745 WeakPolarHBondContact O-CG 3.44Å; Y741-L745 PolarHBondContact O-N 3.5Å; Y741-V753 HydrophobicContact CD1-CG1 4.26Å; Y741-S756 PolarHBondContact OH-O 2.87Å; Y741-F757 HydrophobicContact CD1-CB 3.72Å; Y741-F757 HydrophobicContact CD1-CD2 4.21Å; Y741-F757 HydrophobicContact CD1-CG 4.15Å; Y741-F757 HydrophobicContact CD2-CB 4.44Å; Y741-F757 AromaticContact CD2-CD2 3.47Å; Y741-F757 HydrophobicContact CD2-CD2 3.47Å; Y741-F757 VanDerWaalsContact CD2-CD2 3.47Å; Y741-F757 HydrophobicContact CD2-CE2 4.08Å; Y741-F757 HydrophobicContact CD2-CG 4.23Å; Y741-F757 HydrophobicContact CE1-CB 4.03Å; Y741-F757 HydrophobicContact CE2-CD2 4.1Å; Y741-F757 HydrophobicContact CG-CB 3.95Å; Y741-F757 AromaticContact CG-CD2 3.53Å; Y741-F757 HydrophobicContact CG-CD2 3.53Å; Y741-F757 HydrophobicContact CG-CE2 4.26Å; Y741-F757 AromaticContact CG-CG 3.85Å; Y741-F757 HydrophobicContact CG-CG 3.85Å; Y741-F760 HydrophobicContact CD2-CD1 4.12Å; Y741-F760 HydrophobicContact CD2-CG 4.41Å; Y741-F760 HydrophobicContact CE2-CB 3.78Å; Y741-F760 AromaticContact CE2-CD1 3.83Å; Y741-F760 HydrophobicContact CE2-CD1 3.83Å; Y741-F760 HydrophobicContact CE2-CD2 4.27Å; Y741-F760 AromaticContact CE2-CG 3.66Å; Y741-F760 HydrophobicContact CE2-CG 3.66Å
742	Q	89.9	Confident	87.8	Confident	107 Å²	107	72.4 Å²	72.4	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-47.5	176.7	-72.3	172.9	1.3	0	0	112.1	R738 Q739 L740 L744 L745 E746	R738-Q742 VanDerWaalsContact O-CG 3.32Å; R738-Q742 WeakPolarHBondContact O-CG 3.28Å; R738-Q742 PolarHBondContact O-N 3.47Å; Q739-Q742 PolarHBondContact O-N 3.48Å; L740-Q742 VanDerWaalsContact C-N 3.33Å; L740-Q742 PolarHBondContact O-N 3.06Å; Q742-L744 VanDerWaalsContact C-N 3.28Å; Q742-L744 PolarHBondContact O-N 2.91Å; Q742-L745 PolarHBondContact O-N 3.4Å; Q742-L745 VanDerWaalsContact O-N 3.17Å; Q742-E746 WeakPolarHBondContact O-CG 3.34Å; Q742-E746 PolarHBondContact O-N 3.24Å
743	R	91	Very high	87.9	Confident	91 Å²	91	66 Å²	66	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-37.6	175.2	-75	172	68.3	-171.5	-1	112.3	E706 W721 Q739 L740 K747	E706-R743 IonicContact OE1-CZ 2.77Å; E706-R743 IonicContact OE1-NH1 3.66Å; E706-R743 PolarHBondContact OE1-NH1 2.95Å; E706-R743 IonicContact OE1-NH2 2.92Å; E706-R743 IonicContact OE2-CZ 3.43Å; E706-R743 IonicContact OE2-NH1 2.7Å; E706-R743 PolarHBondContact OE2-NH1 2.93Å; E706-R743 IonicContact OE2-NH2 3.67Å; E706-R743 PolarHBondContact OE2-NH2 3.31Å; W721-R743 HydrophobicContact CH2-CB 4.3Å; W721-R743 HydrophobicContact CZ3-CB 4.45Å; Q739-R743 WeakPolarHBondContact O-CB 3.47Å; Q739-R743 WeakPolarHBondContact O-CG 3.29Å; Q739-R743 PolarHBondContact O-N 3.05Å; L740-R743 PolarHBondContact O-N 3.41Å; R743-K747 PolarHBondContact O-N 3.07Å
744	L	88.9	Confident	88	Confident	21 Å²	21	63 Å²	63	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-69.8	-39.3	176.6	-177.9	59	0	0	0	111.4	W721 I725 L740 Y741 Q742 E746 K747 T748 V753	W721-L744 HydrophobicContact CB-CD1 4.25Å; W721-L744 HydrophobicContact CB-CD2 4.24Å; W721-L744 HydrophobicContact CD2-CD1 3.79Å; W721-L744 HydrophobicContact CE3-CB 4.15Å; W721-L744 HydrophobicContact CE3-CD1 4.22Å; W721-L744 HydrophobicContact CG-CD1 3.78Å; W721-L744 HydrophobicContact CZ3-CB 4.31Å; I725-L744 HydrophobicContact CD1-CD2 3.96Å; L740-L744 WeakPolarHBondContact O-CB 3.41Å; L740-L744 PolarHBondContact O-N 2.68Å; Y741-L744 PolarHBondContact O-N 3.08Å; Q742-L744 VanDerWaalsContact C-N 3.28Å; Q742-L744 PolarHBondContact O-N 2.91Å; L744-E746 VanDerWaalsContact C-N 3.34Å; L744-K747 PolarHBondContact O-N 3.24Å; L744-T748 PolarHBondContact O-N 3.12Å; L744-T748 PolarHBondContact O-OG1 3.32Å; L744-T748 VanDerWaalsContact O-OG1 3.09Å; L744-V753 HydrophobicContact CB-CG1 4.45Å; L744-V753 HydrophobicContact CD2-CB 4.48Å; L744-V753 HydrophobicContact CD2-CG1 3.67Å; L744-V753 HydrophobicContact CD2-CG2 3.92Å; L744-V753 HydrophobicContact CG-CG1 3.9Å; L744-V753 HydrophobicContact CG-CG2 4.21Å
745	L	87.1	Confident	88	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-29.7	176.7	-73.3	170.6	0	0	0	113.1	Y741 Q742 K747 T748 V753 W754 F757	Y741-L745 WeakPolarHBondContact O-CB 3.38Å; Y741-L745 VanDerWaalsContact O-CG 3.24Å; Y741-L745 WeakPolarHBondContact O-CG 3.44Å; Y741-L745 PolarHBondContact O-N 3.5Å; Q742-L745 PolarHBondContact O-N 3.4Å; Q742-L745 VanDerWaalsContact O-N 3.17Å; L745-K747 VanDerWaalsContact C-N 3.32Å; L745-T748 WeakPolarHBondContact CA-O 3.47Å; L745-V753 HydrophobicContact CD2-CB 3.96Å; L745-V753 HydrophobicContact CD2-CG1 3.58Å; L745-V753 HydrophobicContact CG-CG1 3.84Å; L745-W754 HydrophobicContact CD1-CD2 4.12Å; L745-W754 HydrophobicContact CD1-CE3 3.83Å; L745-W754 HydrophobicContact CD1-CH2 3.77Å; L745-W754 HydrophobicContact CD1-CZ2 4.05Å; L745-W754 HydrophobicContact CD1-CZ3 3.65Å; L745-W754 HydrophobicContact CD2-CD2 3.7Å; L745-W754 VanDerWaalsContact CD2-CE2 3.47Å; L745-W754 HydrophobicContact CD2-CE3 4.28Å; L745-W754 HydrophobicContact CD2-CG 4Å; L745-W754 HydrophobicContact CD2-CH2 4.46Å; L745-W754 HydrophobicContact CD2-CZ2 3.9Å; L745-W754 HydrophobicContact CG-CZ2 4.43Å; L745-F757 HydrophobicContact CD1-CD1 3.96Å; L745-F757 HydrophobicContact CD1-CE1 4.49Å
746	E	86.5	Confident	88	Confident	162 Å²	162	61 Å²	61	76%	0.757	29%	0.289	S	S	*	.	H	α-helix	trans	-65	-35.2	169.7	-73.8	173.9	-179.8	0	0	112.1	Q742 L744	Q742-E746 WeakPolarHBondContact O-CG 3.34Å; Q742-E746 PolarHBondContact O-N 3.24Å; L744-E746 VanDerWaalsContact C-N 3.34Å
747	K	83.9	Confident	88.1	Confident	134 Å²	134	59.4 Å²	59.4	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-81.6	-39.7	177.4	-71.3	-173.1	175.5	-169.7	0	112.8	W721 R743 L744 L745	W721-K747 HydrophobicContact CZ2-CD 3.9Å; R743-K747 PolarHBondContact O-N 3.07Å; L744-K747 PolarHBondContact O-N 3.24Å; L745-K747 VanDerWaalsContact C-N 3.32Å
748	T	83.6	Confident	88	Confident	63 Å²	63	59.4 Å²	59.4	39%	0.387	28%	0.28	S	S	.	.			trans	-142.6	123.7	-173	57.3	0	0	0	0	111.2	L744 L745 N750	L744-T748 PolarHBondContact O-N 3.12Å; L744-T748 PolarHBondContact O-OG1 3.32Å; L744-T748 VanDerWaalsContact O-OG1 3.09Å; L745-T748 WeakPolarHBondContact CA-O 3.47Å; T748-N750 VanDerWaalsContact C-N 3.26Å; T748-N750 PolarHBondContact O-N 3.25Å
749	Q	81.2	Confident	87.9	Confident	121 Å²	121	62.3 Å²	62.3	57%	0.565	30%	0.295	S	S	*	.			trans	-91.3	34.3	177.6	-63.4	-175	0.1	0	0	113
750	N	84.9	Confident	87.8	Confident	64 Å²	64	57.6 Å²	57.6	34%	0.342	27%	0.273	S	S	.	.			trans	-73.3	136.2	-175.9	-171.4	-37.4	0	0	0	111.3	T748 K752 V753 W754	T748-N750 VanDerWaalsContact C-N 3.26Å; T748-N750 PolarHBondContact O-N 3.25Å; N750-K752 VanDerWaalsContact C-N 3.26Å; N750-K752 PolarHBondContact O-N 3.43Å; N750-K752 PolarHBondContact OD1-N 3.3Å; N750-V753 HydrophobicContact CB-CG2 4.34Å; N750-V753 WeakPolarHBondContact O-CB 3.23Å; N750-V753 PolarHBondContact O-N 2.95Å; N750-W754 PolarHBondContact O-N 2.9Å
751	V	84.7	Confident	87.7	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-52.2	-40.2	177.4	178	0	0	0	0	113.4	V753 W754 I755 L784 E792 A795 L796	V751-V753 PolarHBondContact O-N 3.03Å; V751-W754 WeakPolarHBondContact O-CB 3.38Å; V751-W754 PolarHBondContact O-N 2.89Å; V751-W754 VanDerWaalsContact O-N 3.08Å; V751-I755 HydrophobicContact CG1-CD1 3.55Å; V751-I755 HydrophobicContact CG1-CG1 3.93Å; V751-I755 WeakPolarHBondContact O-CG1 3.44Å; V751-I755 PolarHBondContact O-N 3.48Å; V751-L784 HydrophobicContact CG2-CD1 3.78Å; V751-L784 HydrophobicContact CG2-CD2 3.78Å; V751-L784 HydrophobicContact CG2-CG 4.46Å; V751-E792 HydrophobicContact CB-CG 4.46Å; V751-E792 HydrophobicContact CG2-CB 3.29Å; V751-E792 HydrophobicContact CG2-CG 3.58Å; V751-E792 VanDerWaalsContact CG2-O 3.23Å; V751-E792 WeakPolarHBondContact CG2-O 3.42Å; V751-A795 HydrophobicContact CG1-CB 4.35Å; V751-L796 HydrophobicContact CG1-CB 4.12Å
752	K	85.7	Confident	87.4	Confident	163 Å²	163	57.4 Å²	57.4	71%	0.709	27%	0.274	S	S	*	.	H	α-helix	trans	-61.9	-32	-179	-68.6	-177.4	179.3	176.5	0	112.2	N750 S756	N750-K752 VanDerWaalsContact C-N 3.26Å; N750-K752 PolarHBondContact O-N 3.43Å; N750-K752 PolarHBondContact OD1-N 3.3Å; K752-S756 WeakPolarHBondContact O-CB 3.49Å; K752-S756 PolarHBondContact O-N 2.7Å; K752-S756 PolarHBondContact O-OG 2.84Å
753	V	88.2	Confident	87.2	Confident	18 Å²	18	58.2 Å²	58.2	11%	0.109	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-42.4	175.7	-176.7	0	0	0	0	109.9	Y741 L744 L745 N750 V751 S756 F757	Y741-V753 HydrophobicContact CD1-CG1 4.26Å; L744-V753 HydrophobicContact CB-CG1 4.45Å; L744-V753 HydrophobicContact CD2-CB 4.48Å; L744-V753 HydrophobicContact CD2-CG1 3.67Å; L744-V753 HydrophobicContact CD2-CG2 3.92Å; L744-V753 HydrophobicContact CG-CG1 3.9Å; L744-V753 HydrophobicContact CG-CG2 4.21Å; L745-V753 HydrophobicContact CD2-CB 3.96Å; L745-V753 HydrophobicContact CD2-CG1 3.58Å; L745-V753 HydrophobicContact CG-CG1 3.84Å; N750-V753 HydrophobicContact CB-CG2 4.34Å; N750-V753 WeakPolarHBondContact O-CB 3.23Å; N750-V753 PolarHBondContact O-N 2.95Å; V751-V753 PolarHBondContact O-N 3.03Å; V753-S756 WeakPolarHBondContact CA-OG 3.31Å; V753-S756 PolarHBondContact O-N 3.2Å; V753-S756 PolarHBondContact O-OG 3.21Å; V753-F757 WeakPolarHBondContact O-CB 3.21Å; V753-F757 PolarHBondContact O-N 2.9Å
754	W	90.1	Very high	86.8	Confident	24 Å²	24	54 Å²	54	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-46.3	175.1	-74.3	111.4	0	0	0	113.1	L745 N750 V751 F757 A758 V776 N779 A780 L796	L745-W754 HydrophobicContact CD1-CD2 4.12Å; L745-W754 HydrophobicContact CD1-CE3 3.83Å; L745-W754 HydrophobicContact CD1-CH2 3.77Å; L745-W754 HydrophobicContact CD1-CZ2 4.05Å; L745-W754 HydrophobicContact CD1-CZ3 3.65Å; L745-W754 HydrophobicContact CD2-CD2 3.7Å; L745-W754 VanDerWaalsContact CD2-CE2 3.47Å; L745-W754 HydrophobicContact CD2-CE3 4.28Å; L745-W754 HydrophobicContact CD2-CG 4Å; L745-W754 HydrophobicContact CD2-CH2 4.46Å; L745-W754 HydrophobicContact CD2-CZ2 3.9Å; L745-W754 HydrophobicContact CG-CZ2 4.43Å; N750-W754 PolarHBondContact O-N 2.9Å; V751-W754 WeakPolarHBondContact O-CB 3.38Å; V751-W754 PolarHBondContact O-N 2.89Å; V751-W754 VanDerWaalsContact O-N 3.08Å; W754-F757 PolarHBondContact O-N 2.74Å; W754-A758 WeakPolarHBondContact O-CB 3.47Å; W754-A758 PolarHBondContact O-N 3.41Å; W754-V776 HydrophobicContact CE3-CG1 3.82Å; W754-V776 HydrophobicContact CZ3-CG1 4.19Å; W754-N779 HydrophobicContact CH2-CB 4.36Å; W754-N779 HydrophobicContact CZ3-CB 4.23Å; W754-A780 HydrophobicContact CB-CB 3.75Å; W754-A780 HydrophobicContact CD2-CB 3.47Å; W754-A780 VanDerWaalsContact CD2-CB 3.47Å; W754-A780 HydrophobicContact CE3-CB 3.6Å; W754-A780 HydrophobicContact CG-CB 3.57Å; W754-A780 HydrophobicContact CZ3-CB 4.33Å; W754-L796 HydrophobicContact CB-CD1 4.11Å
755	I	88.9	Confident	86.2	Confident	30 Å²	30	60 Å²	60	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-46.7	177.8	-65.7	177.7	0	0	0	110.1	V751 F757 A758 Q759 L796 S799	V751-I755 HydrophobicContact CG1-CD1 3.55Å; V751-I755 HydrophobicContact CG1-CG1 3.93Å; V751-I755 WeakPolarHBondContact O-CG1 3.44Å; V751-I755 PolarHBondContact O-N 3.48Å; I755-F757 VanDerWaalsContact C-N 3.33Å; I755-F757 PolarHBondContact O-N 2.78Å; I755-A758 PolarHBondContact O-N 2.75Å; I755-Q759 HydrophobicContact CG2-CG 4.36Å; I755-Q759 WeakPolarHBondContact O-CB 3.4Å; I755-Q759 VanDerWaalsContact O-CG 3.31Å; I755-Q759 WeakPolarHBondContact O-CG 3.43Å; I755-Q759 PolarHBondContact O-N 3.03Å; I755-L796 HydrophobicContact CG1-CD1 4.09Å; I755-S799 WeakPolarHBondContact CG1-OG 3.49Å
756	S	88.3	Confident	85.8	Confident	40 Å²	40	62 Å²	62	28%	0.28	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-34.8	178.5	56.6	0	0	0	0	112.5	Y741 K752 V753 F760	Y741-S756 PolarHBondContact OH-O 2.87Å; K752-S756 WeakPolarHBondContact O-CB 3.49Å; K752-S756 PolarHBondContact O-N 2.7Å; K752-S756 PolarHBondContact O-OG 2.84Å; V753-S756 WeakPolarHBondContact CA-OG 3.31Å; V753-S756 PolarHBondContact O-N 3.2Å; V753-S756 PolarHBondContact O-OG 3.21Å; S756-F760 VanDerWaalsContact O-CB 3.27Å; S756-F760 WeakPolarHBondContact O-CB 3.35Å; S756-F760 PolarHBondContact O-N 2.71Å
757	F	91.2	Very high	85.2	Confident	15 Å²	15	62.4 Å²	62.4	7%	0.066	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-39.4	173.7	-175	-148.4	0	0	0	112.4	R738 Y741 L745 V753 W754 I755 F760 E761 V776	R738-F757 HydrophobicContact CG-CE2 4.24Å; Y741-F757 HydrophobicContact CD1-CB 3.72Å; Y741-F757 HydrophobicContact CD1-CD2 4.21Å; Y741-F757 HydrophobicContact CD1-CG 4.15Å; Y741-F757 HydrophobicContact CD2-CB 4.44Å; Y741-F757 AromaticContact CD2-CD2 3.47Å; Y741-F757 HydrophobicContact CD2-CD2 3.47Å; Y741-F757 VanDerWaalsContact CD2-CD2 3.47Å; Y741-F757 HydrophobicContact CD2-CE2 4.08Å; Y741-F757 HydrophobicContact CD2-CG 4.23Å; Y741-F757 HydrophobicContact CE1-CB 4.03Å; Y741-F757 HydrophobicContact CE2-CD2 4.1Å; Y741-F757 HydrophobicContact CG-CB 3.95Å; Y741-F757 AromaticContact CG-CD2 3.53Å; Y741-F757 HydrophobicContact CG-CD2 3.53Å; Y741-F757 HydrophobicContact CG-CE2 4.26Å; Y741-F757 AromaticContact CG-CG 3.85Å; Y741-F757 HydrophobicContact CG-CG 3.85Å; L745-F757 HydrophobicContact CD1-CD1 3.96Å; L745-F757 HydrophobicContact CD1-CE1 4.49Å; V753-F757 WeakPolarHBondContact O-CB 3.21Å; V753-F757 PolarHBondContact O-N 2.9Å; W754-F757 PolarHBondContact O-N 2.74Å; I755-F757 VanDerWaalsContact C-N 3.33Å; I755-F757 PolarHBondContact O-N 2.78Å; F757-F760 AromaticContact CD2-CD1 3.96Å; F757-F760 HydrophobicContact CD2-CD1 3.96Å; F757-F760 HydrophobicContact CE2-CD1 4.11Å; F757-F760 HydrophobicContact CE2-CE1 4.48Å; F757-F760 WeakPolarHBondContact O-CB 3.47Å; F757-F760 PolarHBondContact O-N 2.61Å; F757-E761 HydrophobicContact CD2-CG 4.33Å; F757-E761 HydrophobicContact CE2-CG 3.95Å; F757-E761 HydrophobicContact CZ-CG 4.47Å; F757-E761 PolarHBondContact O-N 3.13Å; F757-V776 HydrophobicContact CB-CG1 4.19Å; F757-V776 HydrophobicContact CD1-CB 4.33Å; F757-V776 HydrophobicContact CD1-CG1 3.49Å; F757-V776 VanDerWaalsContact CD1-CG1 3.49Å; F757-V776 HydrophobicContact CD1-CG2 3.77Å; F757-V776 HydrophobicContact CE1-CG1 4.12Å; F757-V776 HydrophobicContact CE1-CG2 3.58Å; F757-V776 HydrophobicContact CG-CG1 4.03Å; F757-V776 HydrophobicContact CG-CG2 4.36Å; F757-V776 HydrophobicContact CZ-CG2 4.01Å
758	A	89.5	Confident	85.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-40.7	176.8	0	0	0	0	0	112.2	W754 I755 F760 E761 A762 S773 V776 Y777	W754-A758 WeakPolarHBondContact O-CB 3.47Å; W754-A758 PolarHBondContact O-N 3.41Å; I755-A758 PolarHBondContact O-N 2.75Å; A758-F760 VanDerWaalsContact C-N 3.35Å; A758-E761 PolarHBondContact O-N 3.38Å; A758-A762 WeakPolarHBondContact O-CB 3.5Å; A758-A762 PolarHBondContact O-N 2.99Å; A758-S773 WeakPolarHBondContact O-CB 3.36Å; A758-S773 PolarHBondContact O-OG 3.24Å; A758-V776 HydrophobicContact CB-CB 4.2Å; A758-V776 HydrophobicContact CB-CG1 3.9Å; A758-Y777 HydrophobicContact CB-CD1 4.15Å; A758-Y777 HydrophobicContact CB-CD2 3.87Å; A758-Y777 HydrophobicContact CB-CE1 3.77Å; A758-Y777 HydrophobicContact CB-CE2 3.48Å; A758-Y777 VanDerWaalsContact CB-CE2 3.48Å; A758-Y777 HydrophobicContact CB-CG 4.19Å; A758-Y777 VanDerWaalsContact CB-CZ 3.43Å
759	Q	88.8	Confident	85.2	Confident	104 Å²	104	62.5 Å²	62.5	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-39	172.9	-73.3	175.1	-15.4	0	0	111.8	I755 A762 N763	I755-Q759 HydrophobicContact CG2-CG 4.36Å; I755-Q759 WeakPolarHBondContact O-CB 3.4Å; I755-Q759 VanDerWaalsContact O-CG 3.31Å; I755-Q759 WeakPolarHBondContact O-CG 3.43Å; I755-Q759 PolarHBondContact O-N 3.03Å; Q759-A762 PolarHBondContact O-N 3.4Å; Q759-N763 WeakPolarHBondContact O-CB 3.35Å; Q759-N763 VanDerWaalsContact O-CG 3.3Å; Q759-N763 PolarHBondContact O-N 2.93Å; Q759-N763 PolarHBondContact O-ND2 2.83Å
760	F	89.1	Confident	85.3	Confident	13 Å²	13	58.4 Å²	58.4	6%	0.057	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-52.3	173.5	163.6	-100.5	0	0	0	111.3	I729 F734 A737 R738 Y741 S756 F757 A758 A762 N763 T764	I729-F760 HydrophobicContact CD1-CD2 3.58Å; I729-F760 HydrophobicContact CD1-CE2 4.04Å; I729-F760 HydrophobicContact CD1-CG 4.47Å; I729-F760 HydrophobicContact CG1-CD2 3.77Å; I729-F760 HydrophobicContact CG1-CE2 3.67Å; F734-F760 HydrophobicContact CB-CZ 4.02Å; F734-F760 AromaticContact CD1-CE2 3.79Å; F734-F760 HydrophobicContact CD1-CE2 3.79Å; F734-F760 AromaticContact CD1-CZ 3.96Å; F734-F760 HydrophobicContact CD1-CZ 3.96Å; F734-F760 HydrophobicContact CG-CZ 4.42Å; A737-F760 HydrophobicContact CB-CE1 4.48Å; A737-F760 HydrophobicContact CB-CE2 4.04Å; A737-F760 HydrophobicContact CB-CZ 3.81Å; R738-F760 HydrophobicContact CG-CE1 3.71Å; R738-F760 HydrophobicContact CG-CZ 4.39Å; Y741-F760 HydrophobicContact CD2-CD1 4.12Å; Y741-F760 HydrophobicContact CD2-CG 4.41Å; Y741-F760 HydrophobicContact CE2-CB 3.78Å; Y741-F760 AromaticContact CE2-CD1 3.83Å; Y741-F760 HydrophobicContact CE2-CD1 3.83Å; Y741-F760 HydrophobicContact CE2-CD2 4.27Å; Y741-F760 AromaticContact CE2-CG 3.66Å; Y741-F760 HydrophobicContact CE2-CG 3.66Å; S756-F760 VanDerWaalsContact O-CB 3.27Å; S756-F760 WeakPolarHBondContact O-CB 3.35Å; S756-F760 PolarHBondContact O-N 2.71Å; F757-F760 AromaticContact CD2-CD1 3.96Å; F757-F760 HydrophobicContact CD2-CD1 3.96Å; F757-F760 HydrophobicContact CE2-CD1 4.11Å; F757-F760 HydrophobicContact CE2-CE1 4.48Å; F757-F760 WeakPolarHBondContact O-CB 3.47Å; F757-F760 PolarHBondContact O-N 2.61Å; A758-F760 VanDerWaalsContact C-N 3.35Å; F760-A762 VanDerWaalsContact C-N 3.28Å; F760-A762 PolarHBondContact O-N 3.42Å; F760-N763 PolarHBondContact O-N 3.24Å; F760-N763 VanDerWaalsContact O-N 3.15Å; F760-T764 HydrophobicContact CE1-CG2 4.41Å; F760-T764 HydrophobicContact CE2-CG2 4.26Å; F760-T764 HydrophobicContact CZ-CG2 4.1Å; F760-T764 WeakPolarHBondContact O-CG2 3.32Å; F760-T764 PolarHBondContact O-N 3.17Å
761	E	88.5	Confident	85.4	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.028	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-36.4	177.9	-69.9	-70	172.1	0	0	111.9	R738 F757 A758 N763 T764 R769 K772 V776	R738-E761 WeakPolarHBondContact CD-OE1 3.41Å; R738-E761 WeakPolarHBondContact CG-OE1 3.35Å; R738-E761 IonicContact CZ-OE1 3.51Å; R738-E761 IonicContact CZ-OE2 3.71Å; R738-E761 IonicContact NE-OE1 3.41Å; R738-E761 PolarHBondContact NE-OE1 2.79Å; R738-E761 IonicContact NE-OE2 3.01Å; R738-E761 PolarHBondContact NE-OE2 3.5Å; R738-E761 IonicContact NH2-OE1 2.71Å; R738-E761 IonicContact NH2-OE2 3.46Å; R738-E761 PolarHBondContact NH2-OE2 3.15Å; R738-E761 VanDerWaalsContact NH2-OE2 3.1Å; F757-E761 HydrophobicContact CD2-CG 4.33Å; F757-E761 HydrophobicContact CE2-CG 3.95Å; F757-E761 HydrophobicContact CZ-CG 4.47Å; F757-E761 PolarHBondContact O-N 3.13Å; A758-E761 PolarHBondContact O-N 3.38Å; E761-N763 VanDerWaalsContact C-N 3.29Å; E761-N763 PolarHBondContact O-N 2.99Å; E761-T764 PolarHBondContact O-N 3.37Å; E761-T764 PolarHBondContact O-OG1 2.89Å; E761-R769 WeakPolarHBondContact O-CB 3.46Å; E761-K772 HydrophobicContact CB-CB 4.3Å; E761-K772 HydrophobicContact CG-CB 4.43Å; E761-V776 HydrophobicContact CG-CG2 4.19Å
762	A	85.7	Confident	85.5	Confident	7 Å²	7	61.8 Å²	61.8	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-32.9	176.7	0	0	0	0	0	113.3	A758 Q759 F760 F803	A758-A762 WeakPolarHBondContact O-CB 3.5Å; A758-A762 PolarHBondContact O-N 2.99Å; Q759-A762 PolarHBondContact O-N 3.4Å; F760-A762 VanDerWaalsContact C-N 3.28Å; F760-A762 PolarHBondContact O-N 3.42Å; A762-F803 HydrophobicContact CB-CD2 4.21Å; A762-F803 HydrophobicContact CB-CE2 3.64Å
763	N	85	Confident	85.6	Confident	123 Å²	123	54 Å²	54	66%	0.658	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.6	-179	-71.3	-16.9	0	0	0	113.9	Q759 F760 E761	Q759-N763 WeakPolarHBondContact O-CB 3.35Å; Q759-N763 VanDerWaalsContact O-CG 3.3Å; Q759-N763 PolarHBondContact O-N 2.93Å; Q759-N763 PolarHBondContact O-ND2 2.83Å; F760-N763 PolarHBondContact O-N 3.24Å; F760-N763 VanDerWaalsContact O-N 3.15Å; E761-N763 VanDerWaalsContact C-N 3.29Å; E761-N763 PolarHBondContact O-N 2.99Å
764	T	82.3	Confident	85.6	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	28%	0.275	C	S	.	.	S	Bend	trans	-73.7	147.8	175.8	60.9	0	0	0	0	111.9	F734 F760 E761 E766 R769	F734-T764 HydrophobicContact CD1-CG2 4.37Å; F734-T764 HydrophobicContact CG-CG2 4.46Å; F760-T764 HydrophobicContact CE1-CG2 4.41Å; F760-T764 HydrophobicContact CE2-CG2 4.26Å; F760-T764 HydrophobicContact CZ-CG2 4.1Å; F760-T764 WeakPolarHBondContact O-CG2 3.32Å; F760-T764 PolarHBondContact O-N 3.17Å; E761-T764 PolarHBondContact O-N 3.37Å; E761-T764 PolarHBondContact O-OG1 2.89Å; T764-E766 PolarHBondContact O-N 3.27Å; T764-R769 WeakPolarHBondContact O-CD 3.06Å
765	D	76.4	Confident	85.6	Confident	147 Å²	147	60.2 Å²	60.2	79%	0.786	30%	0.295	S	S	*	.			trans	-79.9	12.9	178.6	-72.1	-32.1	0	0	0	113.7
766	E	78.6	Confident	85.7	Confident	60 Å²	60	59.1 Å²	59.1	28%	0.28	29%	0.29	S	S	.	.			trans	-80.3	139.6	-179.6	-64.6	176.7	-173	0	0	111.1	R738 T764 D768 R769 K772	R738-E766 IonicContact CZ-OE1 3.71Å; R738-E766 IonicContact CZ-OE2 3.24Å; R738-E766 IonicContact NH1-OE1 2.59Å; R738-E766 PolarHBondContact NH1-OE1 3.14Å; R738-E766 IonicContact NH1-OE2 2.81Å; R738-E766 IonicContact NH2-OE1 3.12Å; R738-E766 PolarHBondContact NH2-OE1 3.1Å; R738-E766 IonicContact NH2-OE2 3.52Å; R738-E766 PolarHBondContact NH2-OE2 2.78Å; T764-E766 PolarHBondContact O-N 3.27Å; E766-D768 PolarHBondContact O-N 3.09Å; E766-R769 VanDerWaalsContact O-CB 3.23Å; E766-R769 WeakPolarHBondContact O-CB 3.46Å; E766-R769 WeakPolarHBondContact O-CG 3.19Å; E766-R769 PolarHBondContact O-N 2.92Å; E766-K772 IonicContact OE2-NZ 3.7Å; E766-K772 PolarHBondContact OE2-NZ 3.48Å
767	D	74.7	Confident	85.8	Confident	169 Å²	169	57.5 Å²	57.5	90%	0.904	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	-178.4	-67.8	-36	0	0	0	113	R769	D767-R769 PolarHBondContact O-N 2.89Å
768	D	83	Confident	85.7	Confident	104 Å²	104	60.7 Å²	60.7	56%	0.556	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	10	-179	-66.6	-26	0	0	0	114	E766 V770 E771 K772	E766-D768 PolarHBondContact O-N 3.09Å; D768-V770 VanDerWaalsContact C-N 3.27Å; D768-V770 PolarHBondContact O-N 3.39Å; D768-V770 VanDerWaalsContact O-N 3.16Å; D768-E771 PolarHBondContact O-N 3.04Å; D768-E771 VanDerWaalsContact O-N 3.15Å; D768-K772 HydrophobicContact CB-CD 4.36Å; D768-K772 HydrophobicContact CB-CG 4.4Å; D768-K772 WeakPolarHBondContact O-CG 3.45Å; D768-K772 PolarHBondContact O-N 3.5Å
769	R	83.8	Confident	85.7	Confident	95 Å²	95	64.6 Å²	64.6	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-51.9	-41	-172.9	65.6	-174.6	-170.8	176.6	2	114.1	E761 T764 E766 D767 K772 S773	E761-R769 WeakPolarHBondContact O-CB 3.46Å; T764-R769 WeakPolarHBondContact O-CD 3.06Å; E766-R769 VanDerWaalsContact O-CB 3.23Å; E766-R769 WeakPolarHBondContact O-CB 3.46Å; E766-R769 WeakPolarHBondContact O-CG 3.19Å; E766-R769 PolarHBondContact O-N 2.92Å; D767-R769 PolarHBondContact O-N 2.89Å; R769-K772 PolarHBondContact O-N 3.09Å; R769-S773 WeakPolarHBondContact O-CB 3.48Å; R769-S773 PolarHBondContact O-N 3.22Å
770	V	84.7	Confident	85.6	Confident	36 Å²	36	59.7 Å²	59.7	22%	0.218	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-43.8	-176.8	-179.8	0	0	0	0	110.4	D768 R774 F803	D768-V770 VanDerWaalsContact C-N 3.27Å; D768-V770 PolarHBondContact O-N 3.39Å; D768-V770 VanDerWaalsContact O-N 3.16Å; V770-R774 VanDerWaalsContact O-CB 3.25Å; V770-R774 WeakPolarHBondContact O-CB 3.4Å; V770-R774 PolarHBondContact O-N 3.14Å; V770-F803 HydrophobicContact CG1-CE1 4.26Å; V770-F803 HydrophobicContact CG1-CZ 4Å
771	E	85.7	Confident	85.5	Confident	92 Å²	92	59.4 Å²	59.4	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-71.8	-34.2	179.4	-169.2	57	-149.7	0	0	111.6	D768 R774 R775 R778	D768-E771 PolarHBondContact O-N 3.04Å; D768-E771 VanDerWaalsContact O-N 3.15Å; E771-R774 IonicContact OE2-CZ 3.56Å; E771-R774 IonicContact OE2-NH1 3.94Å; E771-R774 PolarHBondContact OE2-NH1 3.23Å; E771-R775 VanDerWaalsContact O-CB 3.29Å; E771-R775 WeakPolarHBondContact O-CB 3.46Å; E771-R775 PolarHBondContact O-N 2.84Å; E771-R778 IonicContact OE1-NH1 2.97Å; E771-R778 PolarHBondContact OE1-NH1 3.11Å
772	K	86.7	Confident	85.3	Confident	49 Å²	49	63.2 Å²	63.2	21%	0.213	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-49.2	173.2	-72.5	178.8	-175.6	177.8	0	111.6	E761 E766 D768 R769 R775 V776	E761-K772 HydrophobicContact CB-CB 4.3Å; E761-K772 HydrophobicContact CG-CB 4.43Å; E766-K772 IonicContact OE2-NZ 3.7Å; E766-K772 PolarHBondContact OE2-NZ 3.48Å; D768-K772 HydrophobicContact CB-CD 4.36Å; D768-K772 HydrophobicContact CB-CG 4.4Å; D768-K772 WeakPolarHBondContact O-CG 3.45Å; D768-K772 PolarHBondContact O-N 3.5Å; R769-K772 PolarHBondContact O-N 3.09Å; K772-R775 WeakPolarHBondContact O-CB 3.38Å; K772-R775 PolarHBondContact O-N 3.02Å; K772-V776 WeakPolarHBondContact O-CG2 3.46Å; K772-V776 PolarHBondContact O-N 3.46Å
773	S	88.2	Confident	85.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-45.3	176.6	-175.1	0	0	0	0	111.7	A758 R769 R775 V776 Y777	A758-S773 WeakPolarHBondContact O-CB 3.36Å; A758-S773 PolarHBondContact O-OG 3.24Å; R769-S773 WeakPolarHBondContact O-CB 3.48Å; R769-S773 PolarHBondContact O-N 3.22Å; S773-R775 VanDerWaalsContact C-N 3.31Å; S773-R775 PolarHBondContact O-N 3.15Å; S773-V776 WeakPolarHBondContact O-CA 3.3Å; S773-V776 WeakPolarHBondContact O-CB 3.26Å; S773-V776 PolarHBondContact O-N 3.39Å; S773-Y777 WeakPolarHBondContact O-CD2 3.42Å; S773-Y777 PolarHBondContact O-N 2.96Å
774	R	89.4	Confident	85	Confident	33 Å²	33	59.2 Å²	59.2	13%	0.125	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-40.1	174.7	-171.7	-179.4	-66.3	131.3	-4.6	112.5	V770 E771 V776 Y777 R778 W800 E804	V770-R774 VanDerWaalsContact O-CB 3.25Å; V770-R774 WeakPolarHBondContact O-CB 3.4Å; V770-R774 PolarHBondContact O-N 3.14Å; E771-R774 IonicContact OE2-CZ 3.56Å; E771-R774 IonicContact OE2-NH1 3.94Å; E771-R774 PolarHBondContact OE2-NH1 3.23Å; R774-V776 VanDerWaalsContact C-N 3.33Å; R774-V776 PolarHBondContact O-N 2.88Å; R774-Y777 PolarHBondContact O-N 3.43Å; R774-R778 VanDerWaalsContact CD-NH2 3.33Å; R774-R778 WeakPolarHBondContact O-CG 3.34Å; R774-R778 PolarHBondContact O-N 3.27Å; R774-W800 HydrophobicContact CG-CZ2 4.37Å; R774-E804 IonicContact CZ-OE1 3.8Å; R774-E804 IonicContact CZ-OE2 2.81Å; R774-E804 IonicContact NE-OE1 3.75Å; R774-E804 PolarHBondContact NE-OE1 2.79Å; R774-E804 IonicContact NE-OE2 3.04Å; R774-E804 IonicContact NH2-OE1 2.7Å; R774-E804 IonicContact NH2-OE2 2.83Å; R774-E804 PolarHBondContact NH2-OE2 3.03Å
775	R	89.8	Confident	84.8	Confident	138 Å²	138	64.9 Å²	64.9	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-39.2	174.4	-174.9	178.7	66.2	-177.3	0.1	111.7	E771 K772 S773 R778 N779	E771-R775 VanDerWaalsContact O-CB 3.29Å; E771-R775 WeakPolarHBondContact O-CB 3.46Å; E771-R775 PolarHBondContact O-N 2.84Å; K772-R775 WeakPolarHBondContact O-CB 3.38Å; K772-R775 PolarHBondContact O-N 3.02Å; S773-R775 VanDerWaalsContact C-N 3.31Å; S773-R775 PolarHBondContact O-N 3.15Å; R775-R778 PolarHBondContact O-N 3.26Å; R775-N779 WeakPolarHBondContact O-CB 3.49Å; R775-N779 PolarHBondContact O-N 2.83Å; R775-N779 PolarHBondContact O-ND2 2.94Å; R775-N779 PolarHBondContact O-OD1 2.9Å
776	V	90.6	Very high	84.6	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-46.8	174	177.5	0	0	0	0	110.5	W754 F757 A758 E761 K772 S773 R774 R778 N779 A780	W754-V776 HydrophobicContact CE3-CG1 3.82Å; W754-V776 HydrophobicContact CZ3-CG1 4.19Å; F757-V776 HydrophobicContact CB-CG1 4.19Å; F757-V776 HydrophobicContact CD1-CB 4.33Å; F757-V776 HydrophobicContact CD1-CG1 3.49Å; F757-V776 VanDerWaalsContact CD1-CG1 3.49Å; F757-V776 HydrophobicContact CD1-CG2 3.77Å; F757-V776 HydrophobicContact CE1-CG1 4.12Å; F757-V776 HydrophobicContact CE1-CG2 3.58Å; F757-V776 HydrophobicContact CG-CG1 4.03Å; F757-V776 HydrophobicContact CG-CG2 4.36Å; F757-V776 HydrophobicContact CZ-CG2 4.01Å; A758-V776 HydrophobicContact CB-CB 4.2Å; A758-V776 HydrophobicContact CB-CG1 3.9Å; E761-V776 HydrophobicContact CG-CG2 4.19Å; K772-V776 WeakPolarHBondContact O-CG2 3.46Å; K772-V776 PolarHBondContact O-N 3.46Å; S773-V776 WeakPolarHBondContact O-CA 3.3Å; S773-V776 WeakPolarHBondContact O-CB 3.26Å; S773-V776 PolarHBondContact O-N 3.39Å; R774-V776 VanDerWaalsContact C-N 3.33Å; R774-V776 PolarHBondContact O-N 2.88Å; V776-R778 PolarHBondContact O-N 3.42Å; V776-N779 PolarHBondContact O-N 3.19Å; V776-A780 VanDerWaalsContact O-CB 3.28Å; V776-A780 WeakPolarHBondContact O-CB 3.46Å; V776-A780 PolarHBondContact O-N 3.4Å
777	Y	90.7	Very high	84.1	Confident	6 Å²	6	61.8 Å²	61.8	2%	0.024	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-43.8	175.7	-77.9	-61.5	0	0	0	113.3	A758 S773 R774 A780 N781 L796 S799 W800 F803	A758-Y777 HydrophobicContact CB-CD1 4.15Å; A758-Y777 HydrophobicContact CB-CD2 3.87Å; A758-Y777 HydrophobicContact CB-CE1 3.77Å; A758-Y777 HydrophobicContact CB-CE2 3.48Å; A758-Y777 VanDerWaalsContact CB-CE2 3.48Å; A758-Y777 HydrophobicContact CB-CG 4.19Å; A758-Y777 VanDerWaalsContact CB-CZ 3.43Å; S773-Y777 WeakPolarHBondContact O-CD2 3.42Å; S773-Y777 PolarHBondContact O-N 2.96Å; R774-Y777 PolarHBondContact O-N 3.43Å; Y777-A780 PolarHBondContact O-N 3.26Å; Y777-N781 WeakPolarHBondContact O-CB 3.38Å; Y777-N781 PolarHBondContact O-N 2.87Å; Y777-L796 HydrophobicContact CD1-CD1 3.9Å; Y777-L796 HydrophobicContact CD1-CG 4.32Å; Y777-L796 HydrophobicContact CE1-CD1 4.19Å; Y777-S799 WeakPolarHBondContact CE1-OG 3.31Å; Y777-W800 HydrophobicContact CD1-CB 3.68Å; Y777-W800 AromaticContact CD1-CG 3.99Å; Y777-W800 HydrophobicContact CD1-CG 3.99Å; Y777-W800 HydrophobicContact CD2-CB 4.38Å; Y777-W800 AromaticContact CD2-CD1 3.69Å; Y777-W800 HydrophobicContact CD2-CG 4.06Å; Y777-W800 HydrophobicContact CE1-CB 4.06Å; Y777-W800 HydrophobicContact CG-CB 3.87Å; Y777-W800 AromaticContact CG-CD1 3.74Å; Y777-W800 HydrophobicContact CG-CD2 4.17Å; Y777-W800 AromaticContact CG-CG 3.65Å; Y777-W800 HydrophobicContact CG-CG 3.65Å; Y777-F803 HydrophobicContact CD2-CD1 4.05Å; Y777-F803 HydrophobicContact CD2-CG 4.33Å; Y777-F803 HydrophobicContact CE2-CB 3.72Å; Y777-F803 AromaticContact CE2-CD1 3.85Å; Y777-F803 HydrophobicContact CE2-CD1 3.85Å; Y777-F803 HydrophobicContact CE2-CD2 4.23Å; Y777-F803 AromaticContact CE2-CG 3.65Å; Y777-F803 HydrophobicContact CE2-CG 3.65Å
778	R	88.8	Confident	83.7	Confident	83 Å²	83	58.8 Å²	58.8	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-44.2	175.4	-74.2	-179.4	-176.2	134.9	-5.2	112.2	E771 R774 R775 V776 N781 T782 W800	E771-R778 IonicContact OE1-NH1 2.97Å; E771-R778 PolarHBondContact OE1-NH1 3.11Å; R774-R778 VanDerWaalsContact CD-NH2 3.33Å; R774-R778 WeakPolarHBondContact O-CG 3.34Å; R774-R778 PolarHBondContact O-N 3.27Å; R775-R778 PolarHBondContact O-N 3.26Å; V776-R778 PolarHBondContact O-N 3.42Å; R778-N781 PolarHBondContact O-N 3.04Å; R778-T782 WeakPolarHBondContact O-CB 3.38Å; R778-T782 PolarHBondContact O-N 3.04Å; R778-T782 PolarHBondContact O-OG1 3.07Å; R778-W800 HydrophobicContact CG-CH2 3.63Å; R778-W800 HydrophobicContact CG-CZ2 3.78Å
779	N	88.7	Confident	83.3	Confident	82 Å²	82	56.8 Å²	56.8	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-41.4	176.9	-71.7	-7.8	0	0	0	111.4	W754 R775 V776 T782 S783	W754-N779 HydrophobicContact CH2-CB 4.36Å; W754-N779 HydrophobicContact CZ3-CB 4.23Å; R775-N779 WeakPolarHBondContact O-CB 3.49Å; R775-N779 PolarHBondContact O-N 2.83Å; R775-N779 PolarHBondContact O-ND2 2.94Å; R775-N779 PolarHBondContact O-OD1 2.9Å; V776-N779 PolarHBondContact O-N 3.19Å; N779-T782 PolarHBondContact O-N 3.46Å; N779-S783 PolarHBondContact O-N 3.04Å; N779-S783 PolarHBondContact O-OG 3.48Å
780	A	87.7	Confident	83.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-47.6	176.1	0	0	0	0	0	111.4	W754 V776 Y777 T782 S783 L784 L796	W754-A780 HydrophobicContact CB-CB 3.75Å; W754-A780 HydrophobicContact CD2-CB 3.47Å; W754-A780 VanDerWaalsContact CD2-CB 3.47Å; W754-A780 HydrophobicContact CE3-CB 3.6Å; W754-A780 HydrophobicContact CG-CB 3.57Å; W754-A780 HydrophobicContact CZ3-CB 4.33Å; V776-A780 VanDerWaalsContact O-CB 3.28Å; V776-A780 WeakPolarHBondContact O-CB 3.46Å; V776-A780 PolarHBondContact O-N 3.4Å; Y777-A780 PolarHBondContact O-N 3.26Å; A780-T782 VanDerWaalsContact C-N 3.29Å; A780-T782 PolarHBondContact O-N 3.44Å; A780-S783 PolarHBondContact O-N 3.27Å; A780-L784 WeakPolarHBondContact O-CB 3.25Å; A780-L784 WeakPolarHBondContact O-CD1 3.4Å; A780-L784 WeakPolarHBondContact O-CG 3.4Å; A780-L784 PolarHBondContact O-N 3.3Å; A780-L796 HydrophobicContact CB-CD1 3.67Å; A780-L796 HydrophobicContact CB-CD2 3.5Å; A780-L796 VanDerWaalsContact CB-CD2 3.5Å; A780-L796 HydrophobicContact CB-CG 4.24Å
781	N	85.8	Confident	82.9	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-42.1	177.8	-173.1	28.7	0	0	0	110.3	Y777 R778 L784 R785 R793 L796 W800 E819	Y777-N781 WeakPolarHBondContact O-CB 3.38Å; Y777-N781 PolarHBondContact O-N 2.87Å; R778-N781 PolarHBondContact O-N 3.04Å; N781-L784 PolarHBondContact O-N 3.38Å; N781-R785 WeakPolarHBondContact O-CG 2.97Å; N781-R785 PolarHBondContact O-N 2.95Å; N781-R785 VanDerWaalsContact O-N 3.13Å; N781-R793 PolarHBondContact OD1-NE 3.28Å; N781-L796 HydrophobicContact CB-CD2 4.01Å; N781-L796 VanDerWaalsContact N-CD2 3.27Å; N781-W800 HydrophobicContact CB-CZ3 4.22Å; N781-E819 PolarHBondContact ND2-OE2 3.08Å
782	T	84.7	Confident	82.8	Confident	87 Å²	87	59.4 Å²	59.4	53%	0.534	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-47.5	178	-53.4	0	0	0	0	112.2	R778 N779 A780 R785	R778-T782 WeakPolarHBondContact O-CB 3.38Å; R778-T782 PolarHBondContact O-N 3.04Å; R778-T782 PolarHBondContact O-OG1 3.07Å; N779-T782 PolarHBondContact O-N 3.46Å; A780-T782 VanDerWaalsContact C-N 3.29Å; A780-T782 PolarHBondContact O-N 3.44Å; T782-R785 WeakPolarHBondContact O-CB 3.17Å; T782-R785 PolarHBondContact O-N 3.01Å
783	S	83.1	Confident	82.7	Confident	41 Å²	41	57.4 Å²	57.4	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-37.8	177.8	-63.3	0	0	0	0	112.4	N779 A780 R785 S786	N779-S783 PolarHBondContact O-N 3.04Å; N779-S783 PolarHBondContact O-OG 3.48Å; A780-S783 PolarHBondContact O-N 3.27Å; S783-R785 VanDerWaalsContact C-N 3.3Å; S783-R785 PolarHBondContact O-N 3.08Å; S783-S786 PolarHBondContact O-OG 3.45Å
784	L	82.3	Confident	82.5	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-76.4	-12.5	179.5	-73.1	160.1	0	0	0	113.4	V751 A780 N781 S786 S787 E792 R793 L796	V751-L784 HydrophobicContact CG2-CD1 3.78Å; V751-L784 HydrophobicContact CG2-CD2 3.78Å; V751-L784 HydrophobicContact CG2-CG 4.46Å; A780-L784 WeakPolarHBondContact O-CB 3.25Å; A780-L784 WeakPolarHBondContact O-CD1 3.4Å; A780-L784 WeakPolarHBondContact O-CG 3.4Å; A780-L784 PolarHBondContact O-N 3.3Å; N781-L784 PolarHBondContact O-N 3.38Å; L784-S786 PolarHBondContact O-N 3.48Å; L784-S787 WeakPolarHBondContact O-CB 3.37Å; L784-S787 PolarHBondContact O-N 3.4Å; L784-S787 PolarHBondContact O-OG 3.02Å; L784-E792 HydrophobicContact CD2-CB 4.38Å; L784-R793 HydrophobicContact CB-CB 4.36Å; L784-R793 HydrophobicContact CB-CG 4.46Å; L784-L796 HydrophobicContact CD1-CB 4.11Å; L784-L796 HydrophobicContact CD1-CD2 3.75Å; L784-L796 HydrophobicContact CD1-CG 4.35Å
785	R	76.7	Confident	82.4	Confident	122 Å²	122	58.6 Å²	58.6	46%	0.46	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.4	172.7	-61.2	-162.9	172.1	170.1	-9.4	112.4	N781 T782 S783 E819	N781-R785 WeakPolarHBondContact O-CG 2.97Å; N781-R785 PolarHBondContact O-N 2.95Å; N781-R785 VanDerWaalsContact O-N 3.13Å; T782-R785 WeakPolarHBondContact O-CB 3.17Å; T782-R785 PolarHBondContact O-N 3.01Å; S783-R785 VanDerWaalsContact C-N 3.3Å; S783-R785 PolarHBondContact O-N 3.08Å; R785-E819 IonicContact NH2-OE1 3.49Å; R785-E819 IonicContact NH2-OE2 3.69Å; R785-E819 PolarHBondContact NH2-OE2 3.35Å
786	S	72.1	Confident	82.4	Confident	103 Å²	103	52 Å²	52	72%	0.72	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.9	175.4	43.4	0	0	0	0	114.4	S783 L784	S783-S786 PolarHBondContact O-OG 3.45Å; L784-S786 PolarHBondContact O-N 3.48Å
787	S	68.8	Low	82.2	Confident	39 Å²	39	51.7 Å²	51.7	27%	0.273	29%	0.29	S	S	.	.			trans	-76.3	139.8	-179	72.9	0	0	0	0	111.2	L784 T789	L784-S787 WeakPolarHBondContact O-CB 3.37Å; L784-S787 PolarHBondContact O-N 3.4Å; L784-S787 PolarHBondContact O-OG 3.02Å; S787-T789 PolarHBondContact O-N 3.45Å
788	A	66.5	Low	82.2	Confident	105 Å²	105	56.4 Å²	56.4	87%	0.868	31%	0.312	S	S	*	.	S	Bend	trans	-70.7	-20.3	-179	0	0	0	0	0	112.8	K790	A788-K790 PolarHBondContact O-N 3.24Å
789	T	75.1	Confident	82.2	Confident	63 Å²	63	53.5 Å²	53.5	39%	0.387	31%	0.305	S	S	.	.			trans	-92.3	94.9	-173.9	36.3	0	0	0	0	110.9	S787 E791 E792	S787-T789 PolarHBondContact O-N 3.45Å; T789-E791 PolarHBondContact O-N 3.36Å; T789-E792 WeakPolarHBondContact CB-OE1 3.24Å; T789-E792 WeakPolarHBondContact O-CB 3.35Å; T789-E792 PolarHBondContact O-N 2.6Å; T789-E792 PolarHBondContact OG1-OE1 2.83Å
790	K	78.7	Confident	82.3	Confident	72 Å²	72	50 Å²	50	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-28.2	178	-66.5	178.9	172.5	-170.7	0	114	A788 E792 R793 L794 D845 Y846 F848	A788-K790 PolarHBondContact O-N 3.24Å; K790-E792 VanDerWaalsContact C-N 3.32Å; K790-R793 PolarHBondContact O-N 3.33Å; K790-L794 PolarHBondContact O-N 3.04Å; K790-D845 VanDerWaalsContact CD-OD1 3.32Å; K790-D845 WeakPolarHBondContact CD-OD1 3.22Å; K790-D845 IonicContact NZ-OD1 3.6Å; K790-D845 PolarHBondContact NZ-OD1 2.76Å; K790-D845 IonicContact NZ-OD2 3.81Å; K790-D845 PolarHBondContact NZ-OD2 2.85Å; K790-Y846 WeakPolarHBondContact CD-O 3.25Å; K790-Y846 PolarHBondContact NZ-O 3.37Å; K790-F848 HydrophobicContact CB-CE2 3.96Å; K790-F848 HydrophobicContact CG-CE2 4.12Å
791	E	81.4	Confident	82.4	Confident	140 Å²	140	52.8 Å²	52.8	65%	0.654	30%	0.298	S	S	*	.	H	α-helix	trans	-65.6	-37.1	177.9	-64.6	179.2	172.1	0	0	112	T789 L794 A795 Y846	T789-E791 PolarHBondContact O-N 3.36Å; E791-L794 WeakPolarHBondContact O-CB 3.41Å; E791-L794 PolarHBondContact O-N 3.46Å; E791-A795 PolarHBondContact O-N 3.21Å; E791-Y846 HydrophobicContact CG-CE2 4.28Å
792	E	82	Confident	82.5	Confident	65 Å²	65	54.9 Å²	54.9	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.4	-90.4	-179	-118.5	0	0	111.1	V751 L784 T789 K790 L794 A795 L796	V751-E792 HydrophobicContact CB-CG 4.46Å; V751-E792 HydrophobicContact CG2-CB 3.29Å; V751-E792 HydrophobicContact CG2-CG 3.58Å; V751-E792 VanDerWaalsContact CG2-O 3.23Å; V751-E792 WeakPolarHBondContact CG2-O 3.42Å; L784-E792 HydrophobicContact CD2-CB 4.38Å; T789-E792 WeakPolarHBondContact CB-OE1 3.24Å; T789-E792 WeakPolarHBondContact O-CB 3.35Å; T789-E792 PolarHBondContact O-N 2.6Å; T789-E792 PolarHBondContact OG1-OE1 2.83Å; K790-E792 VanDerWaalsContact C-N 3.32Å; E792-L794 VanDerWaalsContact C-N 3.34Å; E792-L794 PolarHBondContact O-N 2.98Å; E792-A795 PolarHBondContact O-N 2.99Å; E792-L796 PolarHBondContact O-N 3.47Å; E792-L796 VanDerWaalsContact O-N 3.13Å
793	R	84.6	Confident	82.8	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-37.3	174.9	-172.5	175.2	177	-161.2	-9	112.3	N781 L784 K790 L796 L797 E819 F848 S850 D851	N781-R793 PolarHBondContact OD1-NE 3.28Å; L784-R793 HydrophobicContact CB-CB 4.36Å; L784-R793 HydrophobicContact CB-CG 4.46Å; K790-R793 PolarHBondContact O-N 3.33Å; R793-L796 PolarHBondContact O-N 2.94Å; R793-L797 WeakPolarHBondContact O-CG 3.15Å; R793-L797 PolarHBondContact O-N 2.91Å; R793-E819 IonicContact NH2-OE2 3Å; R793-F848 HydrophobicContact CB-CE1 4.35Å; R793-F848 HydrophobicContact CB-CE2 4.44Å; R793-F848 HydrophobicContact CB-CZ 3.84Å; R793-F848 HydrophobicContact CG-CE1 3.9Å; R793-F848 HydrophobicContact CG-CE2 4.47Å; R793-F848 HydrophobicContact CG-CZ 3.84Å; R793-S850 PolarHBondContact NH2-OG 3.35Å; R793-D851 IonicContact NH1-OD1 3.75Å; R793-D851 PolarHBondContact NH1-OD1 3.47Å; R793-D851 IonicContact NH1-OD2 3.78Å
794	L	85.7	Confident	83	Confident	18 Å²	18	49.5 Å²	49.5	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-48.8	175.4	174.1	65.7	0	0	0	111.4	K790 E791 E792 L796 L797 E798 M820 P821 Y846	K790-L794 PolarHBondContact O-N 3.04Å; E791-L794 WeakPolarHBondContact O-CB 3.41Å; E791-L794 PolarHBondContact O-N 3.46Å; E792-L794 VanDerWaalsContact C-N 3.34Å; E792-L794 PolarHBondContact O-N 2.98Å; L794-L796 PolarHBondContact O-N 3.38Å; L794-L797 PolarHBondContact O-N 2.94Å; L794-E798 HydrophobicContact CD1-CG 4.06Å; L794-E798 HydrophobicContact CG-CG 4.33Å; L794-E798 WeakPolarHBondContact O-CG 3.31Å; L794-E798 PolarHBondContact O-N 3.46Å; L794-M820 HydrophobicContact CD1-CE 4.3Å; L794-P821 HydrophobicContact CD1-CG 3.64Å; L794-Y846 HydrophobicContact CD2-CD1 3.99Å; L794-Y846 HydrophobicContact CD2-CD2 4.33Å; L794-Y846 HydrophobicContact CD2-CE1 3.55Å; L794-Y846 HydrophobicContact CD2-CE2 3.92Å; L794-Y846 HydrophobicContact CD2-CG 4.37Å
795	A	87.3	Confident	83.3	Confident	40 Å²	40	53.8 Å²	53.8	33%	0.331	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-37.1	178.8	0	0	0	0	0	112.1	V751 E791 E792 S799	V751-A795 HydrophobicContact CG1-CB 4.35Å; E791-A795 PolarHBondContact O-N 3.21Å; E792-A795 PolarHBondContact O-N 2.99Å; A795-S799 PolarHBondContact O-N 3.31Å; A795-S799 VanDerWaalsContact O-N 3.11Å; A795-S799 PolarHBondContact O-OG 3.15Å
796	L	88.9	Confident	83.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-50.8	171.4	-175.8	81.4	0	0	0	111.3	V751 W754 I755 Y777 A780 N781 L784 E792 R793 L794 E798 S799 W800	V751-L796 HydrophobicContact CG1-CB 4.12Å; W754-L796 HydrophobicContact CB-CD1 4.11Å; I755-L796 HydrophobicContact CG1-CD1 4.09Å; Y777-L796 HydrophobicContact CD1-CD1 3.9Å; Y777-L796 HydrophobicContact CD1-CG 4.32Å; Y777-L796 HydrophobicContact CE1-CD1 4.19Å; A780-L796 HydrophobicContact CB-CD1 3.67Å; A780-L796 HydrophobicContact CB-CD2 3.5Å; A780-L796 VanDerWaalsContact CB-CD2 3.5Å; A780-L796 HydrophobicContact CB-CG 4.24Å; N781-L796 HydrophobicContact CB-CD2 4.01Å; N781-L796 VanDerWaalsContact N-CD2 3.27Å; L784-L796 HydrophobicContact CD1-CB 4.11Å; L784-L796 HydrophobicContact CD1-CD2 3.75Å; L784-L796 HydrophobicContact CD1-CG 4.35Å; E792-L796 PolarHBondContact O-N 3.47Å; E792-L796 VanDerWaalsContact O-N 3.13Å; R793-L796 PolarHBondContact O-N 2.94Å; L794-L796 PolarHBondContact O-N 3.38Å; L796-E798 VanDerWaalsContact C-N 3.34Å; L796-E798 PolarHBondContact O-N 2.99Å; L796-S799 PolarHBondContact O-N 3.23Å; L796-S799 PolarHBondContact O-OG 3.27Å; L796-W800 PolarHBondContact O-N 3.1Å
797	L	87.6	Confident	84.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-37.4	-177.9	-70.1	-179.7	0	0	0	112.6	R793 L794 S799 W800 K801 E819 M820 F848	R793-L797 WeakPolarHBondContact O-CG 3.15Å; R793-L797 PolarHBondContact O-N 2.91Å; L794-L797 PolarHBondContact O-N 2.94Å; L797-S799 VanDerWaalsContact C-N 3.34Å; L797-W800 HydrophobicContact CD2-CE3 3.94Å; L797-W800 HydrophobicContact CD2-CZ3 4.36Å; L797-W800 PolarHBondContact O-N 3.14Å; L797-K801 WeakPolarHBondContact O-CB 3.26Å; L797-K801 PolarHBondContact O-N 3.12Å; L797-E819 WeakPolarHBondContact CD1-O 3.38Å; L797-E819 HydrophobicContact CD2-CB 4.43Å; L797-M820 HydrophobicContact CB-SD 3.89Å; L797-F848 HydrophobicContact CD1-CD1 3.87Å; L797-F848 HydrophobicContact CD1-CE1 3.63Å
798	E	89.2	Confident	84.8	Confident	106 Å²	106	54 Å²	54	50%	0.495	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.2	-72.8	177	169.5	0	0	111.1	L794 L796 K801 A802 M820	L794-E798 HydrophobicContact CD1-CG 4.06Å; L794-E798 HydrophobicContact CG-CG 4.33Å; L794-E798 WeakPolarHBondContact O-CG 3.31Å; L794-E798 PolarHBondContact O-N 3.46Å; L796-E798 VanDerWaalsContact C-N 3.34Å; L796-E798 PolarHBondContact O-N 2.99Å; E798-K801 PolarHBondContact O-N 3.2Å; E798-A802 PolarHBondContact O-N 3.37Å; E798-M820 HydrophobicContact CG-CE 4.26Å
799	S	89.2	Confident	85.5	Confident	22 Å²	22	51.9 Å²	51.9	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-34.2	175.7	74.3	0	0	0	0	113.1	I755 Y777 A795 L796 L797 F803	I755-S799 WeakPolarHBondContact CG1-OG 3.49Å; Y777-S799 WeakPolarHBondContact CE1-OG 3.31Å; A795-S799 PolarHBondContact O-N 3.31Å; A795-S799 VanDerWaalsContact O-N 3.11Å; A795-S799 PolarHBondContact O-OG 3.15Å; L796-S799 PolarHBondContact O-N 3.23Å; L796-S799 PolarHBondContact O-OG 3.27Å; L797-S799 VanDerWaalsContact C-N 3.34Å; S799-F803 WeakPolarHBondContact O-CB 3.33Å; S799-F803 PolarHBondContact O-N 2.87Å
800	W	91	Very high	85.9	Confident	9 Å²	9	55.3 Å²	55.3	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-38.9	175.2	-171.4	8.2	0	0	0	110.9	R774 Y777 R778 N781 L796 L797 F803 E804 V816	R774-W800 HydrophobicContact CG-CZ2 4.37Å; Y777-W800 HydrophobicContact CD1-CB 3.68Å; Y777-W800 AromaticContact CD1-CG 3.99Å; Y777-W800 HydrophobicContact CD1-CG 3.99Å; Y777-W800 HydrophobicContact CD2-CB 4.38Å; Y777-W800 AromaticContact CD2-CD1 3.69Å; Y777-W800 HydrophobicContact CD2-CG 4.06Å; Y777-W800 HydrophobicContact CE1-CB 4.06Å; Y777-W800 HydrophobicContact CG-CB 3.87Å; Y777-W800 AromaticContact CG-CD1 3.74Å; Y777-W800 HydrophobicContact CG-CD2 4.17Å; Y777-W800 AromaticContact CG-CG 3.65Å; Y777-W800 HydrophobicContact CG-CG 3.65Å; R778-W800 HydrophobicContact CG-CH2 3.63Å; R778-W800 HydrophobicContact CG-CZ2 3.78Å; N781-W800 HydrophobicContact CB-CZ3 4.22Å; L796-W800 PolarHBondContact O-N 3.1Å; L797-W800 HydrophobicContact CD2-CE3 3.94Å; L797-W800 HydrophobicContact CD2-CZ3 4.36Å; L797-W800 PolarHBondContact O-N 3.14Å; W800-F803 WeakPolarHBondContact O-CB 3.43Å; W800-F803 PolarHBondContact O-N 3.39Å; W800-E804 PolarHBondContact NE1-OE1 3.05Å; W800-E804 VanDerWaalsContact NE1-OE1 3.1Å; W800-E804 PolarHBondContact O-N 3.06Å; W800-V816 HydrophobicContact CB-CG1 4.42Å; W800-V816 HydrophobicContact CD2-CG1 4.36Å; W800-V816 HydrophobicContact CD2-CG2 3.71Å; W800-V816 HydrophobicContact CE3-CG2 4.26Å; W800-V816 HydrophobicContact CG-CG1 4.3Å; W800-V816 HydrophobicContact CG-CG2 4.04Å; W800-V816 HydrophobicContact CH2-CG2 4.37Å; W800-V816 HydrophobicContact CZ2-CG2 3.87Å
801	K	89.1	Confident	86.2	Confident	58 Å²	58	59.4 Å²	59.4	25%	0.252	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-49.5	172.7	-175	178.9	-179.3	167.8	0	110.7	L797 E798 F803 E804 D805 V816 E817	L797-K801 WeakPolarHBondContact O-CB 3.26Å; L797-K801 PolarHBondContact O-N 3.12Å; E798-K801 PolarHBondContact O-N 3.2Å; K801-F803 PolarHBondContact O-N 3.47Å; K801-E804 PolarHBondContact O-N 3.49Å; K801-E804 VanDerWaalsContact O-N 3.15Å; K801-D805 WeakPolarHBondContact O-CB 3.31Å; K801-D805 VanDerWaalsContact O-CG 3.23Å; K801-D805 PolarHBondContact O-N 2.71Å; K801-V816 HydrophobicContact CB-CG1 4.02Å; K801-E817 HydrophobicContact CD-CG 4.47Å; K801-E817 WeakPolarHBondContact CE-OE1 3.3Å; K801-E817 IonicContact NZ-OE1 3.49Å; K801-E817 PolarHBondContact NZ-OE1 3.5Å
802	A	89.7	Confident	86.3	Confident	51 Å²	51	53.3 Å²	53.3	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-37.7	176.8	0	0	0	0	0	112.4	E798 D805 E806	E798-A802 PolarHBondContact O-N 3.37Å; A802-D805 PolarHBondContact O-N 3.39Å; A802-E806 PolarHBondContact O-N 2.87Å
803	F	89.9	Confident	86.5	Confident	12 Å²	12	52 Å²	52	5%	0.053	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-43.1	174.9	174.3	-98.8	0	0	0	113.1	A762 V770 Y777 S799 W800 K801 E806 Y807	A762-F803 HydrophobicContact CB-CD2 4.21Å; A762-F803 HydrophobicContact CB-CE2 3.64Å; V770-F803 HydrophobicContact CG1-CE1 4.26Å; V770-F803 HydrophobicContact CG1-CZ 4Å; Y777-F803 HydrophobicContact CD2-CD1 4.05Å; Y777-F803 HydrophobicContact CD2-CG 4.33Å; Y777-F803 HydrophobicContact CE2-CB 3.72Å; Y777-F803 AromaticContact CE2-CD1 3.85Å; Y777-F803 HydrophobicContact CE2-CD1 3.85Å; Y777-F803 HydrophobicContact CE2-CD2 4.23Å; Y777-F803 AromaticContact CE2-CG 3.65Å; Y777-F803 HydrophobicContact CE2-CG 3.65Å; S799-F803 WeakPolarHBondContact O-CB 3.33Å; S799-F803 PolarHBondContact O-N 2.87Å; W800-F803 WeakPolarHBondContact O-CB 3.43Å; W800-F803 PolarHBondContact O-N 3.39Å; K801-F803 PolarHBondContact O-N 3.47Å; F803-E806 PolarHBondContact O-N 3.31Å; F803-Y807 AromaticContact CD2-CD2 3.65Å; F803-Y807 HydrophobicContact CD2-CD2 3.65Å; F803-Y807 HydrophobicContact CD2-CE2 4.14Å; F803-Y807 AromaticContact CE2-CD2 3.55Å; F803-Y807 HydrophobicContact CE2-CD2 3.55Å; F803-Y807 HydrophobicContact CE2-CE2 4.15Å; F803-Y807 HydrophobicContact CE2-CG 4.2Å; F803-Y807 HydrophobicContact CG-CD2 4.47Å; F803-Y807 HydrophobicContact CZ-CD2 4.33Å; F803-Y807 WeakPolarHBondContact O-CD2 3.48Å; F803-Y807 PolarHBondContact O-N 3.01Å
804	E	88.3	Confident	86.6	Confident	3 Å²	3	59 Å²	59	1%	0.014	30%	0.303	C	S	.	.	H	α-helix	trans	-73.7	-27	176.2	-62.4	-69	167.9	0	0	112.4	R774 W800 K801 E806 G808 S812 V816	R774-E804 IonicContact CZ-OE1 3.8Å; R774-E804 IonicContact CZ-OE2 2.81Å; R774-E804 IonicContact NE-OE1 3.75Å; R774-E804 PolarHBondContact NE-OE1 2.79Å; R774-E804 IonicContact NE-OE2 3.04Å; R774-E804 IonicContact NH2-OE1 2.7Å; R774-E804 IonicContact NH2-OE2 2.83Å; R774-E804 PolarHBondContact NH2-OE2 3.03Å; W800-E804 PolarHBondContact NE1-OE1 3.05Å; W800-E804 VanDerWaalsContact NE1-OE1 3.1Å; W800-E804 PolarHBondContact O-N 3.06Å; K801-E804 PolarHBondContact O-N 3.49Å; K801-E804 VanDerWaalsContact O-N 3.15Å; E804-E806 VanDerWaalsContact C-N 3.26Å; E804-E806 PolarHBondContact O-N 3.44Å; E804-G808 WeakPolarHBondContact O-CA 3.24Å; E804-G808 PolarHBondContact O-N 3.43Å; E804-G808 VanDerWaalsContact OE2-CA 3.22Å; E804-G808 WeakPolarHBondContact OE2-CA 3.22Å; E804-S812 VanDerWaalsContact OE2-CB 3.23Å; E804-S812 WeakPolarHBondContact OE2-CB 3.43Å; E804-S812 PolarHBondContact OE2-OG 3.27Å; E804-V816 HydrophobicContact CG-CG2 3.89Å
805	D	87.6	Confident	86.6	Confident	94 Å²	94	63.3 Å²	63.3	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-33.8	171.2	-72.5	-14.2	0	0	0	111.1	K801 A802 L813	K801-D805 WeakPolarHBondContact O-CB 3.31Å; K801-D805 VanDerWaalsContact O-CG 3.23Å; K801-D805 PolarHBondContact O-N 2.71Å; A802-D805 PolarHBondContact O-N 3.39Å; D805-L813 WeakPolarHBondContact OD1-CD1 3.36Å
806	E	86	Confident	86.5	Confident	143 Å²	143	61.5 Å²	61.5	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-87.3	-42.3	179.5	-72.6	-176.2	178.6	0	0	114.1	A802 F803 E804	A802-E806 PolarHBondContact O-N 2.87Å; F803-E806 PolarHBondContact O-N 3.31Å; E804-E806 VanDerWaalsContact C-N 3.26Å; E804-E806 PolarHBondContact O-N 3.44Å
807	Y	83.8	Confident	86.3	Confident	94 Å²	94	65.6 Å²	65.6	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-121.2	-8.1	-170.1	-57.6	-79.8	0	0	0	114.6	F803	F803-Y807 AromaticContact CD2-CD2 3.65Å; F803-Y807 HydrophobicContact CD2-CD2 3.65Å; F803-Y807 HydrophobicContact CD2-CE2 4.14Å; F803-Y807 AromaticContact CE2-CD2 3.55Å; F803-Y807 HydrophobicContact CE2-CD2 3.55Å; F803-Y807 HydrophobicContact CE2-CE2 4.15Å; F803-Y807 HydrophobicContact CE2-CG 4.2Å; F803-Y807 HydrophobicContact CG-CD2 4.47Å; F803-Y807 HydrophobicContact CZ-CD2 4.33Å; F803-Y807 WeakPolarHBondContact O-CD2 3.48Å; F803-Y807 PolarHBondContact O-N 3.01Å
808	G	79.1	Confident	86.2	Confident	31 Å²	31	67.8 Å²	67.8	32%	0.32	35%	0.349	S	S	.	.			trans	-85.2	171.5	-171.6	0	0	0	0	0	114.7	E804 S812	E804-G808 WeakPolarHBondContact O-CA 3.24Å; E804-G808 PolarHBondContact O-N 3.43Å; E804-G808 VanDerWaalsContact OE2-CA 3.22Å; E804-G808 WeakPolarHBondContact OE2-CA 3.22Å; G808-S812 WeakPolarHBondContact CA-OG 3.11Å
809	S	82.4	Confident	85.9	Confident	62 Å²	62	65 Å²	65	43%	0.434	34%	0.337	S	S	.	.			trans	-93.4	162.8	166	68.7	0	0	0	0	109.8	E811 S812 L813	S809-E811 PolarHBondContact O-N 3.05Å; S809-E811 VanDerWaalsContact O-N 3.08Å; S809-S812 PolarHBondContact N-OG 2.96Å; S809-S812 PolarHBondContact O-N 3.13Å; S809-S812 VanDerWaalsContact O-N 3.1Å; S809-S812 PolarHBondContact O-OG 3.21Å; S809-S812 VanDerWaalsContact O-OG 3.08Å; S809-S812 PolarHBondContact OG-N 3.14Å; S809-L813 WeakPolarHBondContact O-CB 3.36Å; S809-L813 PolarHBondContact O-N 3.47Å
810	E	82.7	Confident	85.6	Confident	134 Å²	134	66.4 Å²	66.4	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-58	-26.3	175.1	-158	-174.8	166.5	0	0	112.1	R814	E810-R814 WeakPolarHBondContact O-CB 3.44Å; E810-R814 VanDerWaalsContact O-CG 3.23Å; E810-R814 WeakPolarHBondContact O-CG 3.33Å; E810-R814 PolarHBondContact O-N 3.15Å; E810-R814 IonicContact OE1-CZ 3.95Å; E810-R814 IonicContact OE1-NE 3.59Å; E810-R814 IonicContact OE1-NH2 3.36Å; E810-R814 PolarHBondContact OE1-NH2 2.63Å
811	E	85.2	Confident	85.3	Confident	159 Å²	159	66.9 Å²	66.9	74%	0.743	35%	0.345	S	S	*	.	H	α-helix	trans	-71.9	-46.9	174.8	-63.2	-179.2	169.2	0	0	112.4	S809 L813 R814 E815	S809-E811 PolarHBondContact O-N 3.05Å; S809-E811 VanDerWaalsContact O-N 3.08Å; E811-L813 VanDerWaalsContact C-N 3.34Å; E811-R814 PolarHBondContact O-N 3.15Å; E811-E815 PolarHBondContact O-N 3.43Å; E811-E815 VanDerWaalsContact O-N 3.07Å
812	S	83.6	Confident	85	Confident	12 Å²	12	69.9 Å²	69.9	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-69.1	-35.1	179.8	63.2	0	0	0	0	111.9	E804 G808 S809 E815 V816	E804-S812 VanDerWaalsContact OE2-CB 3.23Å; E804-S812 WeakPolarHBondContact OE2-CB 3.43Å; E804-S812 PolarHBondContact OE2-OG 3.27Å; G808-S812 WeakPolarHBondContact CA-OG 3.11Å; S809-S812 PolarHBondContact N-OG 2.96Å; S809-S812 PolarHBondContact O-N 3.13Å; S809-S812 VanDerWaalsContact O-N 3.1Å; S809-S812 PolarHBondContact O-OG 3.21Å; S809-S812 VanDerWaalsContact O-OG 3.08Å; S809-S812 PolarHBondContact OG-N 3.14Å; S812-E815 WeakPolarHBondContact O-CB 3.24Å; S812-E815 PolarHBondContact O-N 3.4Å; S812-V816 PolarHBondContact O-N 3.16Å; S812-V816 VanDerWaalsContact O-N 3.13Å
813	L	85.8	Confident	84.7	Confident	38 Å²	38	74.7 Å²	74.7	20%	0.199	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-44.3	173.6	-170.8	155.3	0	0	0	111.4	D805 S809 E811 E815 V816 E817	D805-L813 WeakPolarHBondContact OD1-CD1 3.36Å; S809-L813 WeakPolarHBondContact O-CB 3.36Å; S809-L813 PolarHBondContact O-N 3.47Å; E811-L813 VanDerWaalsContact C-N 3.34Å; L813-E815 VanDerWaalsContact C-N 3.31Å; L813-E815 PolarHBondContact O-N 3.13Å; L813-V816 PolarHBondContact O-N 2.73Å; L813-E817 VanDerWaalsContact CD2-CD 3.48Å; L813-E817 HydrophobicContact CD2-CG 3.93Å; L813-E817 WeakPolarHBondContact O-CB 3.46Å; L813-E817 WeakPolarHBondContact O-CG 3.49Å; L813-E817 PolarHBondContact O-N 2.84Å
814	R	86.6	Confident	84.3	Confident	152 Å²	152	76.7 Å²	76.7	57%	0.574	38%	0.379	S	S	*	.	H	α-helix	trans	-63.5	-34.4	174.8	-77.3	176.1	-171.2	174.5	6.4	113	E810 E811 G818	E810-R814 WeakPolarHBondContact O-CB 3.44Å; E810-R814 VanDerWaalsContact O-CG 3.23Å; E810-R814 WeakPolarHBondContact O-CG 3.33Å; E810-R814 PolarHBondContact O-N 3.15Å; E810-R814 IonicContact OE1-CZ 3.95Å; E810-R814 IonicContact OE1-NE 3.59Å; E810-R814 IonicContact OE1-NH2 3.36Å; E810-R814 PolarHBondContact OE1-NH2 2.63Å; E811-R814 PolarHBondContact O-N 3.15Å; R814-G818 PolarHBondContact O-N 3.42Å
815	E	85.3	Confident	84.1	Confident	109 Å²	109	81.8 Å²	81.8	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-48	174.2	-170.3	-175.1	173	0	0	110.6	E811 S812 L813 G818 E819	E811-E815 PolarHBondContact O-N 3.43Å; E811-E815 VanDerWaalsContact O-N 3.07Å; S812-E815 WeakPolarHBondContact O-CB 3.24Å; S812-E815 PolarHBondContact O-N 3.4Å; L813-E815 VanDerWaalsContact C-N 3.31Å; L813-E815 PolarHBondContact O-N 3.13Å; E815-G818 PolarHBondContact O-N 3.32Å; E815-E819 PolarHBondContact O-N 3.3Å
816	V	84.9	Confident	83.8	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.012	39%	0.394	C	S	.	.	H	α-helix	trans	-68	-41.2	178.5	179.1	0	0	0	0	111.8	W800 K801 E804 S812 L813 G818 E819 M820	W800-V816 HydrophobicContact CB-CG1 4.42Å; W800-V816 HydrophobicContact CD2-CG1 4.36Å; W800-V816 HydrophobicContact CD2-CG2 3.71Å; W800-V816 HydrophobicContact CE3-CG2 4.26Å; W800-V816 HydrophobicContact CG-CG1 4.3Å; W800-V816 HydrophobicContact CG-CG2 4.04Å; W800-V816 HydrophobicContact CH2-CG2 4.37Å; W800-V816 HydrophobicContact CZ2-CG2 3.87Å; K801-V816 HydrophobicContact CB-CG1 4.02Å; E804-V816 HydrophobicContact CG-CG2 3.89Å; S812-V816 PolarHBondContact O-N 3.16Å; S812-V816 VanDerWaalsContact O-N 3.13Å; L813-V816 PolarHBondContact O-N 2.73Å; V816-G818 PolarHBondContact O-N 2.84Å; V816-E819 PolarHBondContact O-N 3.38Å; V816-E819 VanDerWaalsContact O-N 3.07Å; V816-M820 PolarHBondContact O-N 3.5Å
817	E	86	Confident	83.6	Confident	86 Å²	86	81.8 Å²	81.8	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-33.1	174.5	-74.6	-168.3	148.8	0	0	112.6	K801 L813 E819 M820	K801-E817 HydrophobicContact CD-CG 4.47Å; K801-E817 WeakPolarHBondContact CE-OE1 3.3Å; K801-E817 IonicContact NZ-OE1 3.49Å; K801-E817 PolarHBondContact NZ-OE1 3.5Å; L813-E817 VanDerWaalsContact CD2-CD 3.48Å; L813-E817 HydrophobicContact CD2-CG 3.93Å; L813-E817 WeakPolarHBondContact O-CB 3.46Å; L813-E817 WeakPolarHBondContact O-CG 3.49Å; L813-E817 PolarHBondContact O-N 2.84Å; E817-E819 VanDerWaalsContact C-N 3.29Å; E817-E819 PolarHBondContact O-N 2.7Å; E817-M820 WeakPolarHBondContact O-CB 3.39Å; E817-M820 PolarHBondContact O-N 2.94Å
818	G	84.3	Confident	83.4	Confident	46 Å²	46	83.2 Å²	83.2	47%	0.474	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-24.1	174.5	0	0	0	0	0	114.4	R814 E815 V816 P849	R814-G818 PolarHBondContact O-N 3.42Å; E815-G818 PolarHBondContact O-N 3.32Å; V816-G818 PolarHBondContact O-N 2.84Å; G818-P849 WeakPolarHBondContact O-CG 3.42Å
819	E	83.7	Confident	83.2	Confident	48 Å²	48	87.2 Å²	87.2	22%	0.224	40%	0.403	C	S	.	.	H	α-helix	trans	-89.5	-8.4	177.2	-70.8	-85.1	142.6	0	0	112.9	N781 R785 R793 L797 E815 V816 E817	N781-E819 PolarHBondContact ND2-OE2 3.08Å; R785-E819 IonicContact NH2-OE1 3.49Å; R785-E819 IonicContact NH2-OE2 3.69Å; R785-E819 PolarHBondContact NH2-OE2 3.35Å; R793-E819 IonicContact NH2-OE2 3Å; L797-E819 WeakPolarHBondContact CD1-O 3.38Å; L797-E819 HydrophobicContact CD2-CB 4.43Å; E815-E819 PolarHBondContact O-N 3.3Å; V816-E819 PolarHBondContact O-N 3.38Å; V816-E819 VanDerWaalsContact O-N 3.07Å; E817-E819 VanDerWaalsContact C-N 3.29Å; E817-E819 PolarHBondContact O-N 2.7Å
820	M	82.9	Confident	82.6	Confident	51 Å²	51	85.2 Å²	85.2	25%	0.251	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.1	135.7	-178.2	-71.5	-65.6	-71.8	0	0	112.3	L794 L797 E798 V816 E817 P849	L794-M820 HydrophobicContact CD1-CE 4.3Å; L797-M820 HydrophobicContact CB-SD 3.89Å; E798-M820 HydrophobicContact CG-CE 4.26Å; V816-M820 PolarHBondContact O-N 3.5Å; E817-M820 WeakPolarHBondContact O-CB 3.39Å; E817-M820 PolarHBondContact O-N 2.94Å; M820-P849 VanDerWaalsContact O-CD 3.28Å; M820-P849 WeakPolarHBondContact O-CD 3.37Å; M820-P849 WeakPolarHBondContact O-CG 3.39Å
821	P	85.2	Confident	82.1	Confident	19 Å²	19	82.7 Å²	82.7	12%	0.123	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-75.9	151.2	-177.4	30	-34	0	0	0	112.9	L794 Y846 I847 F848	L794-P821 HydrophobicContact CD1-CG 3.64Å; P821-Y846 HydrophobicContact CB-CD1 4.39Å; P821-Y846 HydrophobicContact CG-CD1 4.11Å; P821-Y846 HydrophobicContact CG-CG 4.48Å; P821-I847 CarbonylContact C-O 3.28Å; P821-I847 VanDerWaalsContact CA-O 3.22Å; P821-I847 WeakPolarHBondContact CA-O 3.45Å; P821-F848 HydrophobicContact CB-CD1 3.65Å; P821-F848 HydrophobicContact CB-CE1 3.71Å; P821-F848 HydrophobicContact CB-CG 4.06Å; P821-F848 HydrophobicContact CB-CZ 4.18Å; P821-F848 HydrophobicContact CG-CD1 3.94Å; P821-F848 HydrophobicContact CG-CE1 3.55Å; P821-F848 HydrophobicContact CG-CZ 4.09Å
822	K	81.8	Confident	81.4	Confident	121 Å²	121	77.6 Å²	77.6	53%	0.526	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128	165.9	-67	174.5	-172.1	158.1	0	109.6	V824 I847 E852	K822-V824 PolarHBondContact O-N 2.89Å; K822-I847 PolarHBondContact N-O 3.28Å; K822-I847 PolarHBondContact O-N 3.44Å; K822-E852 IonicContact NZ-OE2 3.71Å
823	R	84.4	Confident	80.6	Confident	152 Å²	152	86.7 Å²	86.7	57%	0.574	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.7	173.8	-175.1	176.8	177.7	177.8	2.3	109.7	Y844 Y846	R823-Y844 HydrophobicContact CG-CD1 3.63Å; R823-Y844 HydrophobicContact CG-CE1 4.38Å; R823-Y844 HydrophobicContact CG-CG 4.15Å; R823-Y844 VanDerWaalsContact NH2-CZ 3.33Å; R823-Y846 HydrophobicContact CB-CD1 4.4Å; R823-Y846 HydrophobicContact CB-CE1 4.18Å; R823-Y846 HydrophobicContact CG-CE1 4.1Å
824	V	81.7	Confident	79.5	Confident	54 Å²	54	92 Å²	92	33%	0.327	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.3	-178.9	-178.9	0	0	0	0	109.9	K822 K826 D845 I847	K822-V824 PolarHBondContact O-N 2.89Å; V824-K826 PolarHBondContact O-N 3.4Å; V824-D845 PolarHBondContact N-O 3.36Å; V824-D845 PolarHBondContact O-N 2.9Å; V824-I847 HydrophobicContact CB-CD1 4.17Å; V824-I847 HydrophobicContact CG2-CD1 3.62Å; V824-I847 HydrophobicContact CG2-CG1 4.04Å
825	K	83.3	Confident	78.6	Confident	110 Å²	110	87.2 Å²	87.2	48%	0.478	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.5	176	-164.2	175.8	-179.4	-171.7	0	109.6	E842 Y844	K825-E842 WeakPolarHBondContact CE-OE1 3.33Å; K825-E842 WeakPolarHBondContact CE-OE2 3.41Å; K825-E842 IonicContact NZ-OE1 3.88Å; K825-E842 PolarHBondContact NZ-OE1 3.04Å; K825-E842 IonicContact NZ-OE2 3.66Å; K825-E842 PolarHBondContact NZ-OE2 3.07Å; K825-Y844 HydrophobicContact CB-CD1 4.37Å; K825-Y844 HydrophobicContact CB-CE1 4.27Å; K825-Y844 HydrophobicContact CG-CE1 4.32Å
826	K	81.8	Confident	77.5	Confident	82 Å²	82	86.5 Å²	86.5	36%	0.357	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	161.9	175.3	-72.9	-169.8	178.8	172.4	0	110.3	V824 E842 Y843 D845	V824-K826 PolarHBondContact O-N 3.4Å; K826-E842 CarbonylContact O-C 3.53Å; K826-E842 WeakPolarHBondContact O-CA 3.36Å; K826-Y843 HydrophobicContact CB-CD1 4.24Å; K826-Y843 HydrophobicContact CB-CE1 3.64Å; K826-Y843 HydrophobicContact CB-CE2 4.31Å; K826-Y843 PolarHBondContact N-O 2.88Å; K826-Y843 PolarHBondContact O-N 2.89Å; K826-D845 HydrophobicContact CD-CB 3.78Å; K826-D845 VanDerWaalsContact CE-OD2 3.32Å; K826-D845 WeakPolarHBondContact CE-OD2 3.25Å; K826-D845 HydrophobicContact CG-CB 4.16Å; K826-D845 IonicContact NZ-OD2 2.82Å; K826-D845 PolarHBondContact NZ-OD2 3.19Å
827	R	80.5	Confident	76.8	Confident	156 Å²	156	90.6 Å²	90.6	59%	0.589	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.1	177.6	-56.7	-179.7	74.7	-174.8	3.9	108.4	W840 E841 E842	R827-W840 HydrophobicContact CB-CE3 4.13Å; R827-E841 WeakPolarHBondContact CA-O 3.38Å; R827-E842 HydrophobicContact CG-CG 4.23Å
828	R	80.1	Confident	75.7	Confident	124 Å²	124	92 Å²	92	47%	0.468	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.4	171.2	65.6	-177.1	-177.1	-171.2	-1.6	109.6	A830 W840 E841 Y843	R828-A830 PolarHBondContact O-N 3.43Å; R828-W840 CarbonylContact O-C 3.56Å; R828-W840 WeakPolarHBondContact O-CA 3.35Å; R828-E841 HydrophobicContact CG-CB 4.34Å; R828-E841 IonicContact CZ-OE2 3.58Å; R828-E841 VanDerWaalsContact CZ-OE2 3.25Å; R828-E841 PolarHBondContact N-O 3.04Å; R828-E841 IonicContact NE-OE2 2.78Å; R828-E841 PolarHBondContact NE-OE2 3.45Å; R828-E841 IonicContact NH2-OE1 3.78Å; R828-E841 IonicContact NH2-OE2 2.74Å; R828-E841 PolarHBondContact NH2-OE2 3.19Å; R828-E841 PolarHBondContact O-N 3.42Å; R828-Y843 HydrophobicContact CB-CD1 4.01Å; R828-Y843 HydrophobicContact CB-CE1 3.67Å; R828-Y843 HydrophobicContact CG-CD1 3.69Å; R828-Y843 HydrophobicContact CG-CE1 3.87Å
829	K	75.6	Confident	75.4	Confident	114 Å²	114	91.2 Å²	91.2	50%	0.496	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.1	172.2	-144.1	178.2	-173.9	-162.1	0	107.8	D837 G839	K829-D837 VanDerWaalsContact CD-OD1 3.3Å; K829-D837 WeakPolarHBondContact CD-OD1 3.49Å; K829-D837 WeakPolarHBondContact CE-OD1 3.49Å; K829-D837 VanDerWaalsContact CE-OD2 3.28Å; K829-D837 WeakPolarHBondContact CE-OD2 3.19Å; K829-D837 IonicContact NZ-OD1 3.56Å; K829-D837 PolarHBondContact NZ-OD1 2.82Å; K829-D837 IonicContact NZ-OD2 2.81Å; K829-D837 PolarHBondContact NZ-OD2 2.89Å; K829-G839 CarbonylContact C-O 3.58Å; K829-G839 WeakPolarHBondContact CA-O 3.44Å
830	A	69	Low	75	Confident	21 Å²	21	96.7 Å²	96.7	17%	0.174	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.3	175.9	0	0	0	0	0	109.6	R828 D837 I838 G839 E841	R828-A830 PolarHBondContact O-N 3.43Å; A830-D837 CarbonylContact O-C 3.12Å; A830-I838 HydrophobicContact CB-CB 4.44Å; A830-I838 PolarHBondContact O-N 2.75Å; A830-G839 PolarHBondContact N-O 3.07Å; A830-E841 HydrophobicContact CB-CB 3.82Å
831	T	73.3	Confident	74.7	Confident	81 Å²	81	98.2 Å²	98.2	50%	0.497	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.7	175.1	50.3	0	0	0	0	109.7	V836 D837	T831-V836 CarbonylContact C-O 3.5Å; T831-V836 VanDerWaalsContact CA-O 3.24Å; T831-V836 WeakPolarHBondContact CA-O 3.3Å; T831-D837 WeakPolarHBondContact CG2-OD1 3.37Å
832	T	68.7	Low	74.5	Confident	51 Å²	51	102.2 Å²	102.2	31%	0.313	50%	0.501	S	S	.	.			trans	-62.3	166.9	169.4	48.3	0	0	0	0	111.4	D834 G835 V836 I838	T832-D834 PolarHBondContact O-N 2.93Å; T832-G835 PolarHBondContact O-N 3.48Å; T832-V836 PolarHBondContact N-O 2.73Å; T832-V836 WeakPolarHBondContact OG1-CB 3.3Å; T832-V836 PolarHBondContact OG1-N 3.13Å; T832-I838 HydrophobicContact CG2-CD1 3.31Å; T832-I838 HydrophobicContact CG2-CG1 3.61Å
833	E	68.3	Low	74.4	Confident	204 Å²	204	100 Å²	100	95%	0.953	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23	167.5	-69.3	-176.8	164.3	0	0	112.4
834	D	62.2	Low	74.2	Confident	148 Å²	148	98.2 Å²	98.2	79%	0.791	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	4.7	174.9	-59	-48.1	0	0	0	114.5	T832	T832-D834 PolarHBondContact O-N 2.93Å
835	G	67.5	Low	74.1	Confident	53 Å²	53	96.6 Å²	96.6	55%	0.546	47%	0.473	S	S	.	.			trans	77.1	15.8	177.1	0	0	0	0	0	115.8	T832	T832-G835 PolarHBondContact O-N 3.48Å
836	V	63.1	Low	74	Confident	94 Å²	94	93.4 Å²	93.4	57%	0.57	46%	0.459	S	S	*	.			trans	-85.9	127.2	177.1	-175.8	0	0	0	0	109.8	T831 T832 I838	T831-V836 CarbonylContact C-O 3.5Å; T831-V836 VanDerWaalsContact CA-O 3.24Å; T831-V836 WeakPolarHBondContact CA-O 3.3Å; T832-V836 PolarHBondContact N-O 2.73Å; T832-V836 WeakPolarHBondContact OG1-CB 3.3Å; T832-V836 PolarHBondContact OG1-N 3.13Å; V836-I838 WeakPolarHBondContact O-CG1 3.34Å; V836-I838 PolarHBondContact O-N 3.23Å; V836-I838 VanDerWaalsContact O-N 3.15Å
837	D	68.4	Low	73.8	Confident	87 Å²	87	91.6 Å²	91.6	47%	0.465	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	107.4	176.2	-72.6	-45.2	0	0	0	111.2	K829 A830 T831 G839	K829-D837 VanDerWaalsContact CD-OD1 3.3Å; K829-D837 WeakPolarHBondContact CD-OD1 3.49Å; K829-D837 WeakPolarHBondContact CE-OD1 3.49Å; K829-D837 VanDerWaalsContact CE-OD2 3.28Å; K829-D837 WeakPolarHBondContact CE-OD2 3.19Å; K829-D837 IonicContact NZ-OD1 3.56Å; K829-D837 PolarHBondContact NZ-OD1 2.82Å; K829-D837 IonicContact NZ-OD2 2.81Å; K829-D837 PolarHBondContact NZ-OD2 2.89Å; A830-D837 CarbonylContact O-C 3.12Å; T831-D837 WeakPolarHBondContact CG2-OD1 3.37Å; D837-G839 VanDerWaalsContact C-N 3.35Å
838	I	65	Low	73.7	Confident	115 Å²	115	84.2 Å²	84.2	59%	0.59	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	-14.9	179.2	-49.3	176	0	0	0	111.6	A830 T832 V836	A830-I838 HydrophobicContact CB-CB 4.44Å; A830-I838 PolarHBondContact O-N 2.75Å; T832-I838 HydrophobicContact CG2-CD1 3.31Å; T832-I838 HydrophobicContact CG2-CG1 3.61Å; V836-I838 WeakPolarHBondContact O-CG1 3.34Å; V836-I838 PolarHBondContact O-N 3.23Å; V836-I838 VanDerWaalsContact O-N 3.15Å
839	G	76.4	Confident	73.3	Confident	31 Å²	31	80.2 Å²	80.2	32%	0.32	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-159.4	-179.1	0	0	0	0	0	112.2	K829 A830 D837	K829-G839 CarbonylContact C-O 3.58Å; K829-G839 WeakPolarHBondContact CA-O 3.44Å; A830-G839 PolarHBondContact N-O 3.07Å; D837-G839 VanDerWaalsContact C-N 3.35Å
840	W	76.5	Confident	72.9	Confident	163 Å²	163	76.6 Å²	76.6	62%	0.617	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.6	178.6	-66.1	94.2	0	0	0	110	R827 R828	R827-W840 HydrophobicContact CB-CE3 4.13Å; R828-W840 CarbonylContact O-C 3.56Å; R828-W840 WeakPolarHBondContact O-CA 3.35Å
841	E	76.2	Confident	72.8	Confident	83 Å²	83	79.5 Å²	79.5	39%	0.388	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.1	170.7	-177	-173.8	-159.9	0	0	109.3	R827 R828 A830	R827-E841 WeakPolarHBondContact CA-O 3.38Å; R828-E841 HydrophobicContact CG-CB 4.34Å; R828-E841 IonicContact CZ-OE2 3.58Å; R828-E841 VanDerWaalsContact CZ-OE2 3.25Å; R828-E841 PolarHBondContact N-O 3.04Å; R828-E841 IonicContact NE-OE2 2.78Å; R828-E841 PolarHBondContact NE-OE2 3.45Å; R828-E841 IonicContact NH2-OE1 3.78Å; R828-E841 IonicContact NH2-OE2 2.74Å; R828-E841 PolarHBondContact NH2-OE2 3.19Å; R828-E841 PolarHBondContact O-N 3.42Å; A830-E841 HydrophobicContact CB-CB 3.82Å
842	E	81.4	Confident	72.1	Confident	103 Å²	103	79.9 Å²	79.9	48%	0.481	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.4	171.6	-51.9	-170.5	125.9	0	0	109	K825 K826 R827	K825-E842 WeakPolarHBondContact CE-OE1 3.33Å; K825-E842 WeakPolarHBondContact CE-OE2 3.41Å; K825-E842 IonicContact NZ-OE1 3.88Å; K825-E842 PolarHBondContact NZ-OE1 3.04Å; K825-E842 IonicContact NZ-OE2 3.66Å; K825-E842 PolarHBondContact NZ-OE2 3.07Å; K826-E842 CarbonylContact O-C 3.53Å; K826-E842 WeakPolarHBondContact O-CA 3.36Å; R827-E842 HydrophobicContact CG-CG 4.23Å
843	Y	78.6	Confident	71.3	Confident	74 Å²	74	86.2 Å²	86.2	29%	0.29	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.8	176.7	74.7	-77.2	0	0	0	110.3	K826 R828 D845	K826-Y843 HydrophobicContact CB-CD1 4.24Å; K826-Y843 HydrophobicContact CB-CE1 3.64Å; K826-Y843 HydrophobicContact CB-CE2 4.31Å; K826-Y843 PolarHBondContact N-O 2.88Å; K826-Y843 PolarHBondContact O-N 2.89Å; R828-Y843 HydrophobicContact CB-CD1 4.01Å; R828-Y843 HydrophobicContact CB-CE1 3.67Å; R828-Y843 HydrophobicContact CG-CD1 3.69Å; R828-Y843 HydrophobicContact CG-CE1 3.87Å; Y843-D845 HydrophobicContact CE2-CB 4.02Å
844	Y	80.6	Confident	70.7	Confident	114 Å²	114	80 Å²	80	45%	0.447	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.9	174.5	-66.3	-80.3	0	0	0	109.3	R823 K825	R823-Y844 HydrophobicContact CG-CD1 3.63Å; R823-Y844 HydrophobicContact CG-CE1 4.38Å; R823-Y844 HydrophobicContact CG-CG 4.15Å; R823-Y844 VanDerWaalsContact NH2-CZ 3.33Å; K825-Y844 HydrophobicContact CB-CD1 4.37Å; K825-Y844 HydrophobicContact CB-CE1 4.27Å; K825-Y844 HydrophobicContact CG-CE1 4.32Å
845	D	79.2	Confident	70.3	Confident	20 Å²	20	75.6 Å²	75.6	11%	0.107	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.1	170.6	-169	11.6	0	0	0	108.7	K790 V824 K826 Y843	K790-D845 VanDerWaalsContact CD-OD1 3.32Å; K790-D845 WeakPolarHBondContact CD-OD1 3.22Å; K790-D845 IonicContact NZ-OD1 3.6Å; K790-D845 PolarHBondContact NZ-OD1 2.76Å; K790-D845 IonicContact NZ-OD2 3.81Å; K790-D845 PolarHBondContact NZ-OD2 2.85Å; V824-D845 PolarHBondContact N-O 3.36Å; V824-D845 PolarHBondContact O-N 2.9Å; K826-D845 HydrophobicContact CD-CB 3.78Å; K826-D845 VanDerWaalsContact CE-OD2 3.32Å; K826-D845 WeakPolarHBondContact CE-OD2 3.25Å; K826-D845 HydrophobicContact CG-CB 4.16Å; K826-D845 IonicContact NZ-OD2 2.82Å; K826-D845 PolarHBondContact NZ-OD2 3.19Å; Y843-D845 HydrophobicContact CE2-CB 4.02Å
846	Y	81.4	Confident	69.6	Low	44 Å²	44	77.6 Å²	77.6	17%	0.173	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126	179.4	-63.9	-75.9	0	0	0	108.8	K790 E791 L794 P821 R823	K790-Y846 WeakPolarHBondContact CD-O 3.25Å; K790-Y846 PolarHBondContact NZ-O 3.37Å; E791-Y846 HydrophobicContact CG-CE2 4.28Å; L794-Y846 HydrophobicContact CD2-CD1 3.99Å; L794-Y846 HydrophobicContact CD2-CD2 4.33Å; L794-Y846 HydrophobicContact CD2-CE1 3.55Å; L794-Y846 HydrophobicContact CD2-CE2 3.92Å; L794-Y846 HydrophobicContact CD2-CG 4.37Å; P821-Y846 HydrophobicContact CB-CD1 4.39Å; P821-Y846 HydrophobicContact CG-CD1 4.11Å; P821-Y846 HydrophobicContact CG-CG 4.48Å; R823-Y846 HydrophobicContact CB-CD1 4.4Å; R823-Y846 HydrophobicContact CB-CE1 4.18Å; R823-Y846 HydrophobicContact CG-CE1 4.1Å
847	I	78.2	Confident	69.2	Low	43 Å²	43	79.8 Å²	79.8	22%	0.221	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.4	177.7	-53.3	-176.2	0	0	0	108	P821 K822 V824 E852	P821-I847 CarbonylContact C-O 3.28Å; P821-I847 VanDerWaalsContact CA-O 3.22Å; P821-I847 WeakPolarHBondContact CA-O 3.45Å; K822-I847 PolarHBondContact N-O 3.28Å; K822-I847 PolarHBondContact O-N 3.44Å; V824-I847 HydrophobicContact CB-CD1 4.17Å; V824-I847 HydrophobicContact CG2-CD1 3.62Å; V824-I847 HydrophobicContact CG2-CG1 4.04Å; I847-E852 HydrophobicContact CG2-CG 3.56Å; I847-E852 WeakPolarHBondContact CG2-OE1 3.37Å
848	F	78.6	Confident	68.7	Low	2 Å²	2	81.2 Å²	81.2	1%	0.009	44%	0.44	C	S	.	.			trans	-77.4	134.6	176.9	-61	-85.3	0	0	0	109.9	K790 R793 L797 P821 S850 D851	K790-F848 HydrophobicContact CB-CE2 3.96Å; K790-F848 HydrophobicContact CG-CE2 4.12Å; R793-F848 HydrophobicContact CB-CE1 4.35Å; R793-F848 HydrophobicContact CB-CE2 4.44Å; R793-F848 HydrophobicContact CB-CZ 3.84Å; R793-F848 HydrophobicContact CG-CE1 3.9Å; R793-F848 HydrophobicContact CG-CE2 4.47Å; R793-F848 HydrophobicContact CG-CZ 3.84Å; L797-F848 HydrophobicContact CD1-CD1 3.87Å; L797-F848 HydrophobicContact CD1-CE1 3.63Å; P821-F848 HydrophobicContact CB-CD1 3.65Å; P821-F848 HydrophobicContact CB-CE1 3.71Å; P821-F848 HydrophobicContact CB-CG 4.06Å; P821-F848 HydrophobicContact CB-CZ 4.18Å; P821-F848 HydrophobicContact CG-CD1 3.94Å; P821-F848 HydrophobicContact CG-CE1 3.55Å; P821-F848 HydrophobicContact CG-CZ 4.09Å; F848-S850 PolarHBondContact O-N 3.07Å; F848-S850 VanDerWaalsContact O-N 3.15Å; F848-D851 PolarHBondContact O-N 2.93Å
849	P	72	Confident	68.7	Low	40 Å²	40	84 Å²	84	26%	0.26	45%	0.448	S	S	.	.	H	α-helix	trans	-55	-32.2	179.2	-29.7	38.2	0	0	0	114	G818 M820 D851 E852	G818-P849 WeakPolarHBondContact O-CG 3.42Å; M820-P849 VanDerWaalsContact O-CD 3.28Å; M820-P849 WeakPolarHBondContact O-CD 3.37Å; M820-P849 WeakPolarHBondContact O-CG 3.39Å; P849-D851 PolarHBondContact O-N 3.17Å; P849-E852 PolarHBondContact O-N 2.96Å
850	S	66.1	Low	68.1	Low	38 Å²	38	89.5 Å²	89.5	27%	0.266	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-27.5	175.7	62.5	0	0	0	0	113.8	R793 F848	R793-S850 PolarHBondContact NH2-OG 3.35Å; F848-S850 PolarHBondContact O-N 3.07Å; F848-S850 VanDerWaalsContact O-N 3.15Å
851	D	66.9	Low	67.5	Low	82 Å²	82	87.2 Å²	87.2	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-91.5	-20.4	-173.4	-54.7	-5.5	0	0	0	111	R793 F848 P849 M853	R793-D851 IonicContact NH1-OD1 3.75Å; R793-D851 PolarHBondContact NH1-OD1 3.47Å; R793-D851 IonicContact NH1-OD2 3.78Å; F848-D851 PolarHBondContact O-N 2.93Å; P849-D851 PolarHBondContact O-N 3.17Å; D851-M853 PolarHBondContact O-N 2.86Å
852	E	58.6	Low	67.2	Low	89 Å²	89	85.8 Å²	85.8	42%	0.416	47%	0.471	S	S	.	.	H	α-helix	trans	-71.1	-24.9	179.2	-70.3	-171.2	156.4	0	0	113.3	K822 I847 P849 G854	K822-E852 IonicContact NZ-OE2 3.71Å; I847-E852 HydrophobicContact CG2-CG 3.56Å; I847-E852 WeakPolarHBondContact CG2-OE1 3.37Å; P849-E852 PolarHBondContact O-N 2.96Å; E852-G854 PolarHBondContact O-N 3.11Å
853	M	52.5	Low	67.1	Low	184 Å²	184	86.2 Å²	86.2	91%	0.906	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-13	-180	-74.9	-175.7	67.2	0	0	114	D851	D851-M853 PolarHBondContact O-N 2.86Å
854	G	56.1	Low	67	Low	73 Å²	73	85.4 Å²	85.4	75%	0.753	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.1	-177.2	0	0	0	0	0	116.3	E852	E852-G854 PolarHBondContact O-N 3.11Å
855	A	52.8	Low	66.8	Low	56 Å²	56	87.5 Å²	87.5	46%	0.463	50%	0.496	S	S	.	.			trans	-98.4	98.7	-172.8	0	0	0	0	0	112.8	N857 M858	A855-N857 PolarHBondContact O-N 3Å; A855-M858 PolarHBondContact O-N 3.04Å
856	A	52.5	Low	66.9	Low	94 Å²	94	92.2 Å²	92.2	78%	0.777	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-14.3	179.6	0	0	0	0	0	115.8	M858	A856-M858 PolarHBondContact O-N 2.94Å
857	N	56.1	Low	66.8	Low	140 Å²	140	98.4 Å²	98.4	75%	0.749	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.3	-176.3	-67.3	-16.5	0	0	0	114.7	A855	A855-N857 PolarHBondContact O-N 3Å
858	M	57.9	Low	66.9	Low	117 Å²	117	103.2 Å²	103.2	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-80.6	-19.8	-174.3	-75.2	-67.8	-80.3	0	0	115	A855 A856 L860 L861 A862	A855-M858 PolarHBondContact O-N 3.04Å; A856-M858 PolarHBondContact O-N 2.94Å; M858-L860 VanDerWaalsContact C-N 3.32Å; M858-L860 PolarHBondContact O-N 3.43Å; M858-L861 PolarHBondContact O-N 2.78Å; M858-A862 WeakPolarHBondContact O-CB 3.49Å; M858-A862 PolarHBondContact O-N 2.91Å
859	K	64.9	Low	66.9	Low	175 Å²	175	108.8 Å²	108.8	76%	0.761	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-36.8	177.5	-84.4	-177.9	177.1	175.5	0	112.7	L863	K859-L863 PolarHBondContact O-N 2.91Å; K859-L863 VanDerWaalsContact O-N 3.12Å
860	L	62.9	Low	67.4	Low	146 Å²	146	113.9 Å²	113.9	76%	0.764	60%	0.604	S	S	*	*	H	α-helix	trans	-69.5	-38.5	179.5	-149.6	111.9	0	0	0	111.3	M858 L863 A864	M858-L860 VanDerWaalsContact C-N 3.32Å; M858-L860 PolarHBondContact O-N 3.43Å; L860-L863 PolarHBondContact O-N 3.02Å; L860-A864 WeakPolarHBondContact O-CB 3.25Å; L860-A864 PolarHBondContact O-N 2.86Å
861	L	63.7	Low	68.1	Low	115 Å²	115	115.8 Å²	115.8	60%	0.602	61%	0.609	S	S	*	*	H	α-helix	trans	-72.8	-35.8	179.4	-144.7	114.1	0	0	0	112	M858 A864 K865	M858-L861 PolarHBondContact O-N 2.78Å; L861-A864 PolarHBondContact O-N 3.45Å; L861-K865 WeakPolarHBondContact O-CB 3.47Å; L861-K865 PolarHBondContact O-N 3.19Å
862	A	70.7	Confident	68.6	Low	52 Å²	52	116.5 Å²	116.5	43%	0.43	61%	0.612	S	S	.	*	H	α-helix	trans	-64.2	-43.2	172.7	0	0	0	0	0	112.1	M858 K865 Q866	M858-A862 WeakPolarHBondContact O-CB 3.49Å; M858-A862 PolarHBondContact O-N 2.91Å; A862-K865 PolarHBondContact O-N 3.26Å; A862-Q866 WeakPolarHBondContact O-CG 3.38Å; A862-Q866 PolarHBondContact O-N 3.24Å
863	L	78.1	Confident	69.6	Low	113 Å²	113	118.2 Å²	118.2	59%	0.592	62%	0.62	S	S	*	*	H	α-helix	trans	-63	-40.8	173.3	-83.2	159.6	0	0	0	112.1	K859 L860 K865 Q866 W867	K859-L863 PolarHBondContact O-N 2.91Å; K859-L863 VanDerWaalsContact O-N 3.12Å; L860-L863 PolarHBondContact O-N 3.02Å; L863-K865 VanDerWaalsContact C-N 3.35Å; L863-K865 PolarHBondContact O-N 2.84Å; L863-Q866 PolarHBondContact O-N 2.87Å; L863-W867 WeakPolarHBondContact O-CB 3.45Å; L863-W867 PolarHBondContact O-N 2.99Å
864	A	76.2	Confident	70.7	Confident	56 Å²	56	115.4 Å²	115.4	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-64.3	-38	175.2	0	0	0	0	0	112.4	L860 L861 W867 K868	L860-A864 WeakPolarHBondContact O-CB 3.25Å; L860-A864 PolarHBondContact O-N 2.86Å; L861-A864 PolarHBondContact O-N 3.45Å; A864-W867 PolarHBondContact O-N 3.33Å; A864-K868 PolarHBondContact O-N 2.88Å
865	K	77.1	Confident	71.4	Confident	158 Å²	158	117.8 Å²	117.8	69%	0.687	60%	0.596	S	S	*	*	H	α-helix	trans	-68.1	-41.9	176.7	-149.6	177.9	-174.2	-177	0	111.6	L861 A862 L863 K868 Q869	L861-K865 WeakPolarHBondContact O-CB 3.47Å; L861-K865 PolarHBondContact O-N 3.19Å; A862-K865 PolarHBondContact O-N 3.26Å; L863-K865 VanDerWaalsContact C-N 3.35Å; L863-K865 PolarHBondContact O-N 2.84Å; K865-K868 PolarHBondContact O-N 3.16Å; K865-Q869 WeakPolarHBondContact O-CB 3.4Å; K865-Q869 PolarHBondContact O-N 2.93Å
866	Q	80.8	Confident	72.4	Confident	120 Å²	120	122.2 Å²	122.2	56%	0.561	61%	0.605	S	S	*	*	H	α-helix	trans	-63.2	-38.8	172.7	-74.4	-179.7	-3.7	0	0	112.4	A862 L863 Q869 K870	A862-Q866 WeakPolarHBondContact O-CG 3.38Å; A862-Q866 PolarHBondContact O-N 3.24Å; L863-Q866 PolarHBondContact O-N 2.87Å; Q866-Q869 PolarHBondContact O-N 3.46Å; Q866-K870 PolarHBondContact O-N 3.48Å
867	W	80.5	Confident	73.2	Confident	174 Å²	174	120.6 Å²	120.6	66%	0.659	59%	0.588	S	S	*	*	H	α-helix	trans	-63.6	-43.2	175.1	-175	80.9	0	0	0	112	L863 A864 Q869 K870 Q871	L863-W867 WeakPolarHBondContact O-CB 3.45Å; L863-W867 PolarHBondContact O-N 2.99Å; A864-W867 PolarHBondContact O-N 3.33Å; W867-Q869 VanDerWaalsContact C-N 3.35Å; W867-Q869 PolarHBondContact O-N 3.04Å; W867-K870 PolarHBondContact O-N 3.43Å; W867-Q871 HydrophobicContact CD2-CG 4.46Å; W867-Q871 HydrophobicContact CH2-CG 4.44Å; W867-Q871 HydrophobicContact CZ2-CG 4.35Å; W867-Q871 WeakPolarHBondContact O-CG 3.37Å; W867-Q871 PolarHBondContact O-N 3.5Å; W867-Q871 VanDerWaalsContact O-N 3.1Å
868	K	79.6	Confident	73.9	Confident	143 Å²	143	117.4 Å²	117.4	62%	0.622	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-36.1	175.3	-169	173.4	-176.9	175.7	0	112.6	A864 K865 Q871 L872	A864-K868 PolarHBondContact O-N 2.88Å; K865-K868 PolarHBondContact O-N 3.16Å; K868-Q871 PolarHBondContact O-N 3.46Å; K868-L872 HydrophobicContact CG-CD1 4.47Å; K868-L872 PolarHBondContact O-N 3.31Å; K868-L872 VanDerWaalsContact O-N 3.09Å
869	Q	79.4	Confident	74.3	Confident	120 Å²	120	115.8 Å²	115.8	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-68.5	-40	177.7	-157.7	164.5	6.1	0	0	111.7	K865 Q866 W867 Q871 L872 E873	K865-Q869 WeakPolarHBondContact O-CB 3.4Å; K865-Q869 PolarHBondContact O-N 2.93Å; Q866-Q869 PolarHBondContact O-N 3.46Å; W867-Q869 VanDerWaalsContact C-N 3.35Å; W867-Q869 PolarHBondContact O-N 3.04Å; Q869-Q871 PolarHBondContact O-N 2.84Å; Q869-L872 PolarHBondContact O-N 2.97Å; Q869-E873 PolarHBondContact O-N 3.47Å
870	K	82.4	Confident	74.2	Confident	146 Å²	146	110.6 Å²	110.6	64%	0.635	55%	0.553	S	S	*	*	H	α-helix	trans	-63.1	-38.5	172.2	-77	-175.3	175.1	-176.6	0	113.3	Q866 W867 E873 Q874	Q866-K870 PolarHBondContact O-N 3.48Å; W867-K870 PolarHBondContact O-N 3.43Å; K870-E873 PolarHBondContact O-N 2.85Å; K870-Q874 PolarHBondContact O-N 3.39Å; K870-Q874 VanDerWaalsContact O-N 3.08Å
871	Q	79.8	Confident	74.2	Confident	79 Å²	79	110.4 Å²	110.4	37%	0.369	55%	0.548	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.3	-76.4	-78.6	-14.4	0	0	111.4	W867 K868 Q869 E873 Q874 Q875	W867-Q871 HydrophobicContact CD2-CG 4.46Å; W867-Q871 HydrophobicContact CH2-CG 4.44Å; W867-Q871 HydrophobicContact CZ2-CG 4.35Å; W867-Q871 WeakPolarHBondContact O-CG 3.37Å; W867-Q871 PolarHBondContact O-N 3.5Å; W867-Q871 VanDerWaalsContact O-N 3.1Å; K868-Q871 PolarHBondContact O-N 3.46Å; Q869-Q871 PolarHBondContact O-N 2.84Å; Q871-E873 PolarHBondContact O-N 2.88Å; Q871-Q874 PolarHBondContact O-N 2.91Å; Q871-Q875 PolarHBondContact O-N 3.22Å
872	L	77.8	Confident	73.9	Confident	97 Å²	97	111.1 Å²	111.1	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-34.7	176	-92.7	152.4	0	0	0	113.3	K868 Q869 Q875 K876	K868-L872 HydrophobicContact CG-CD1 4.47Å; K868-L872 PolarHBondContact O-N 3.31Å; K868-L872 VanDerWaalsContact O-N 3.09Å; Q869-L872 PolarHBondContact O-N 2.97Å; L872-Q875 PolarHBondContact O-N 2.94Å; L872-K876 WeakPolarHBondContact O-CB 3.17Å; L872-K876 WeakPolarHBondContact O-CG 3.34Å; L872-K876 PolarHBondContact O-N 3.36Å
873	E	79.6	Confident	73.1	Confident	124 Å²	124	115.4 Å²	115.4	58%	0.579	56%	0.557	S	S	*	*	H	α-helix	trans	-67.5	-40.8	173.6	-77.9	173.9	174.4	0	0	112.3	Q869 K870 Q871 Q875 K876 S877	Q869-E873 PolarHBondContact O-N 3.47Å; K870-E873 PolarHBondContact O-N 2.85Å; Q871-E873 PolarHBondContact O-N 2.88Å; E873-Q875 VanDerWaalsContact C-N 3.34Å; E873-K876 PolarHBondContact O-N 3Å; E873-S877 PolarHBondContact O-N 3.36Å
874	Q	75.4	Confident	72.1	Confident	126 Å²	126	112.9 Å²	112.9	59%	0.589	55%	0.553	S	S	*	*	H	α-helix	trans	-65.7	-35.9	173.9	-76.4	-180	-11.9	0	0	112.5	K870 Q871 S877 V878	K870-Q874 PolarHBondContact O-N 3.39Å; K870-Q874 VanDerWaalsContact O-N 3.08Å; Q871-Q874 PolarHBondContact O-N 2.91Å; Q874-S877 PolarHBondContact O-N 2.96Å; Q874-S877 PolarHBondContact O-OG 2.73Å; Q874-V878 WeakPolarHBondContact O-CG2 3.48Å; Q874-V878 PolarHBondContact O-N 2.82Å
875	Q	72	Confident	71	Confident	122 Å²	122	117.5 Å²	117.5	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-67.6	-42	175.3	-149.1	112.5	30.6	0	0	111.2	Q871 L872 E873 S877 V878 D879	Q871-Q875 PolarHBondContact O-N 3.22Å; L872-Q875 PolarHBondContact O-N 2.94Å; E873-Q875 VanDerWaalsContact C-N 3.34Å; Q875-S877 VanDerWaalsContact C-N 3.34Å; Q875-S877 PolarHBondContact O-N 3.42Å; Q875-V878 PolarHBondContact O-N 3.16Å; Q875-D879 PolarHBondContact O-N 2.98Å
876	K	72.2	Confident	69.9	Low	149 Å²	149	115.8 Å²	115.8	65%	0.648	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-34.2	176.2	-79.7	-178	176.5	-174.2	0	113.2	L872 E873 S880	L872-K876 WeakPolarHBondContact O-CB 3.17Å; L872-K876 WeakPolarHBondContact O-CG 3.34Å; L872-K876 PolarHBondContact O-N 3.36Å; E873-K876 PolarHBondContact O-N 3Å; K876-S880 PolarHBondContact O-N 3.49Å; K876-S880 PolarHBondContact O-OG 2.92Å
877	S	70.6	Confident	68.5	Low	61 Å²	61	118.7 Å²	118.7	43%	0.427	57%	0.573	S	S	.	*	H	α-helix	trans	-68	-37.6	175.9	59.3	0	0	0	0	112.6	E873 Q874 Q875 S880 E881	E873-S877 PolarHBondContact O-N 3.36Å; Q874-S877 PolarHBondContact O-N 2.96Å; Q874-S877 PolarHBondContact O-OG 2.73Å; Q875-S877 VanDerWaalsContact C-N 3.34Å; Q875-S877 PolarHBondContact O-N 3.42Å; S877-S880 VanDerWaalsContact CA-OG 3.3Å; S877-S880 WeakPolarHBondContact CA-OG 3.29Å; S877-S880 PolarHBondContact O-N 3.38Å; S877-S880 PolarHBondContact O-OG 3.16Å; S877-E881 PolarHBondContact O-N 3.48Å
878	V	70.4	Confident	67	Low	73 Å²	73	118.8 Å²	118.8	44%	0.442	58%	0.581	S	S	.	*	H	α-helix	trans	-70.5	-37.5	176.8	176.3	0	0	0	0	111.4	Q874 Q875 E881 K882	Q874-V878 WeakPolarHBondContact O-CG2 3.48Å; Q874-V878 PolarHBondContact O-N 2.82Å; Q875-V878 PolarHBondContact O-N 3.16Å; V878-E881 PolarHBondContact O-N 3.31Å; V878-K882 PolarHBondContact O-N 3.33Å
879	D	65.8	Low	65.5	Low	82 Å²	82	120 Å²	120	44%	0.439	59%	0.588	S	S	.	*	H	α-helix	trans	-71.2	-30	176.4	-71	-22.7	0	0	0	112.3	Q875 Q883	Q875-D879 PolarHBondContact O-N 2.98Å; D879-Q883 WeakPolarHBondContact O-CB 3.31Å; D879-Q883 WeakPolarHBondContact O-CG 3.18Å; D879-Q883 PolarHBondContact O-N 2.84Å
880	S	63.4	Low	63.6	Low	66 Å²	66	122.5 Å²	122.5	46%	0.462	60%	0.598	S	S	.	*	H	α-helix	trans	-71.4	-29.6	173.1	50.6	0	0	0	0	114.1	K876 S877 A884	K876-S880 PolarHBondContact O-N 3.49Å; K876-S880 PolarHBondContact O-OG 2.92Å; S877-S880 VanDerWaalsContact CA-OG 3.3Å; S877-S880 WeakPolarHBondContact CA-OG 3.29Å; S877-S880 PolarHBondContact O-N 3.38Å; S877-S880 PolarHBondContact O-OG 3.16Å; S880-A884 PolarHBondContact O-N 3.35Å
881	E	62.5	Low	61.7	Low	142 Å²	142	123.1 Å²	123.1	66%	0.664	61%	0.608	S	S	*	*	H	α-helix	trans	-71.7	-40.2	172.8	-79.9	178.2	163.7	0	0	111.5	S877 V878 Q883 A884 E885	S877-E881 PolarHBondContact O-N 3.48Å; V878-E881 PolarHBondContact O-N 3.31Å; E881-Q883 VanDerWaalsContact C-N 3.34Å; E881-Q883 PolarHBondContact O-N 2.74Å; E881-A884 PolarHBondContact O-N 2.77Å; E881-E885 PolarHBondContact O-N 3.37Å
882	K	57.5	Low	59.9	Low	131 Å²	131	125.8 Å²	125.8	57%	0.57	63%	0.625	S	S	*	*	H	α-helix	trans	-67.8	-30.5	174.6	-76	-178.4	175.9	178.5	0	113.7	V878 I886	V878-K882 PolarHBondContact O-N 3.33Å; K882-I886 WeakPolarHBondContact O-CD1 3.29Å; K882-I886 WeakPolarHBondContact O-CG1 3.28Å
883	Q	54.7	Low	58.1	Low	142 Å²	142	125.9 Å²	125.9	66%	0.664	63%	0.634	S	S	*	*	H	α-helix	trans	-78.7	-17.1	175	-76.2	-178.2	-0.6	0	0	113.6	D879 E881	D879-Q883 WeakPolarHBondContact O-CB 3.31Å; D879-Q883 WeakPolarHBondContact O-CG 3.18Å; D879-Q883 PolarHBondContact O-N 2.84Å; E881-Q883 VanDerWaalsContact C-N 3.34Å; E881-Q883 PolarHBondContact O-N 2.74Å
884	A	56.5	Low	55.9	Low	60 Å²	60	125 Å²	125	50%	0.496	64%	0.641	S	S	.	*	H	α-helix	trans	-76.4	-37.4	173.4	0	0	0	0	0	112	S880 E881 K887	S880-A884 PolarHBondContact O-N 3.35Å; E881-A884 PolarHBondContact O-N 2.77Å; A884-K887 PolarHBondContact O-N 3.49Å
885	E	52.9	Low	53.9	Low	152 Å²	152	123.6 Å²	123.6	71%	0.71	65%	0.645	S	S	*	*	H	α-helix	trans	-69	-31.2	176.2	-74	-179.3	157.3	0	0	113	E881 K887	E881-E885 PolarHBondContact O-N 3.37Å; E885-K887 VanDerWaalsContact C-N 3.3Å; E885-K887 PolarHBondContact O-N 2.8Å
886	I	53.9	Low	52.3	Low	122 Å²	122	128.3 Å²	128.3	63%	0.626	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-15.8	-179.8	-63.9	169.6	0	0	0	112.1	K882	K882-I886 WeakPolarHBondContact O-CD1 3.29Å; K882-I886 WeakPolarHBondContact O-CG1 3.28Å
887	K	50.7	Low	50.5	Low	182 Å²	182	127.6 Å²	127.6	79%	0.791	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-10.5	-178.9	-116	176.7	179.8	177.5	0	114.7	A884 E885	A884-K887 PolarHBondContact O-N 3.49Å; E885-K887 VanDerWaalsContact C-N 3.3Å; E885-K887 PolarHBondContact O-N 2.8Å
888	E	50.6	Low	48.9	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	68%	0.683	S	S	*	*	S	Bend	trans	-84.7	-11.4	174.4	-78.2	-169.5	157.6	0	0	113.8
889	E	46.6	Very low	47.4	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	70%	0.699	S	S	*	*	S	Bend	trans	-100.5	-8.9	-175.7	-80	-169.7	154.2	0	0	116
890	F	41	Very low	46.1	Very low	174 Å²	174	143 Å²	143	76%	0.763	72%	0.72	S	S	*	*			trans	-112.3	24.6	-173	-111.4	-89.3	0	0	0	115.9	N892	F890-N892 PolarHBondContact O-N 2.74Å; F890-N892 VanDerWaalsContact O-N 3.11Å
891	D	42.1	Very low	44.8	Very low	159 Å²	159	149.2 Å²	149.2	85%	0.85	74%	0.742	S	S	*	*			trans	-75.5	24.3	167.9	-120.8	0.9	0	0	0	113.3
892	N	42.2	Very low	43.6	Very low	135 Å²	135	152.1 Å²	152.1	72%	0.722	75%	0.753	S	S	*	*			trans	-141	123.4	-178.7	-95	-38.6	0	0	0	111.8	F890	F890-N892 PolarHBondContact O-N 2.74Å; F890-N892 VanDerWaalsContact O-N 3.11Å
893	S	39.2	Very low	42.5	Very low	99 Å²	99	149 Å²	149	69%	0.692	76%	0.757	S	S	*	*			trans	77	100.6	171.1	77.4	0	0	0	0	116
894	S	33.4	Very low	41.6	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	77%	0.765	S	S	*	*				70.4	108.9	77.6	80.6	0	0	0	0	116.4
895	S	33.9	Very low	40.7	Very low	97 Å²	97	152.4 Å²	152.4	68%	0.678	78%	0.776	S	S	*	*			trans	63.4	124	135.7	70.8	0	0	0	0	121.4
896	R	37.9	Very low	40.1	Very low	222 Å²	222	151.8 Å²	151.8	84%	0.838	78%	0.778	S	S	*	*			trans	132.9	120.9	131	-76.6	-179.8	176.5	149.4	0.1	114.9
897	D	34.7	Very low	39.6	Very low	133 Å²	133	151.7 Å²	151.7	71%	0.711	78%	0.783	S	S	*	*			trans	36.6	127.5	135.5	-49.8	-26.5	0	0	0	120.2
898	F	36.9	Very low	39.2	Very low	204 Å²	204	149.7 Å²	149.7	90%	0.895	78%	0.781	S	S	*	*				171.7	137.8	106.4	-110.9	-94.1	0	0	0	112.5
899	D	38.7	Very low	39.1	Very low	146 Å²	146	148.1 Å²	148.1	78%	0.781	78%	0.778	S	S	*	*			trans	-72.6	166.1	168.2	-84.2	-45.1	0	0	0	113.3
900	Q	39.1	Very low	39.1	Very low	190 Å²	190	146.5 Å²	146.5	89%	0.888	77%	0.774	S	S	*	*			trans	98.6	123.9	147.7	-89.4	170.4	-5.3	0	0	121.1
901	E	35.3	Very low	39.1	Very low	197 Å²	197	145.5 Å²	145.5	92%	0.921	78%	0.777	S	S	*	*			trans	-56.7	123.7	-178.4	-72.6	166.5	144.2	0	0	113.9
902	K	38.8	Very low	39.2	Very low	203 Å²	203	142.4 Å²	142.4	88%	0.883	77%	0.767	S	S	*	*			trans	-77.4	143	143	-66.7	176.4	176.2	179.6	0	107
903	G	34.3	Very low	39.4	Very low	64 Å²	64	141.8 Å²	141.8	66%	0.66	77%	0.769	S	S	*	*			cis	96.6	108.7	42.9	0	0	0	0	0	108.3
904	D	34	Very low	39.6	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	77%	0.77	S	S	*	*			trans	34.5	136.6	147.4	-54.5	-27.7	0	0	0	120.8
905	T	38.6	Very low	40.1	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.724	77%	0.767	S	S	*	*			trans	-179.7	117.6	134.3	41	0	0	0	0	108.2
906	D	39.5	Very low	40.5	Very low	139 Å²	139	145.9 Å²	145.9	74%	0.743	77%	0.773	S	S	*	*				77	131.5	99.3	-59	-34.5	0	0	0	111.3
907	T	44.1	Very low	40.8	Very low	119 Å²	119	139.7 Å²	139.7	73%	0.73	76%	0.764	S	S	*	*				-178.9	145.4	57.5	26.1	0	0	0	0	107.1
908	D	43.1	Very low	41.2	Very low	141 Å²	141	141.8 Å²	141.8	75%	0.754	77%	0.77	S	S	*	*			trans	-176	102.7	134.4	-82.9	-20	0	0	0	107
909	L	48.8	Very low	41.3	Very low	143 Å²	143	143.5 Å²	143.5	75%	0.749	79%	0.788	S	S	*	*				65.5	123.3	99.9	-64.6	165.9	0	0	0	111.7
910	D	44.8	Very low	41.5	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	79%	0.788	S	S	*	*			cis	-168.9	156	28.3	-100.9	-28.9	0	0	0	110.3
911	D	42.7	Very low	41.6	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	78%	0.783	S	S	*	*			trans	32	136.7	146.5	-80.7	-19.9	0	0	0	121.5
912	S	44.1	Very low	41.9	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	78%	0.776	S	S	*	*			cis	-179.5	146.5	24.9	44.2	0	0	0	0	110.7
913	T	45.5	Very low	42.1	Very low	122 Å²	122	133.9 Å²	133.9	75%	0.748	77%	0.769	S	S	*	*			trans	41	131.8	144	52	0	0	0	0	120.2
914	T	43.6	Very low	42.6	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	78%	0.776	S	S	*	*			cis	-178	143.8	36.8	1.3	0	0	0	0	109.4
915	S	43.4	Very low	43.2	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	77%	0.772	S	S	*	*			trans	26.1	135	143.8	58.7	0	0	0	0	119.7
916	E	42.4	Very low	43.5	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.813	78%	0.775	S	S	*	*			cis	-176.3	151.2	38	-120.9	157.4	-156.3	0	0	108.5
917	S	44.6	Very low	43.8	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	78%	0.778	S	S	*	*			trans	-1.5	150.1	147.1	52.4	0	0	0	0	118.5
918	E	42.1	Very low	43.8	Very low	176 Å²	176	140 Å²	140	82%	0.822	78%	0.782	S	S	*	*			cis	-170.3	159.6	18.2	-111.3	161.2	-168.1	0	0	105.9
919	D	40.4	Very low	43.9	Very low	240 Å²	240	139.9 Å²	139.9	100%	1.283	78%	0.784	S	S	*	*			trans	79.2	0	174.2	-63.1	-23.5	0	0	0	120.9

Retrieved 919 of 919 residues in 2195.1 ms (Link to these results)

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