A0A087YNS3_POEFO Loading...

Protein SERAC1

AlphaFold DB , UniProt , Accession A0A087YNS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 659 aa.

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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	36	Very low	32.3	Very low	243 Å²	243	158.1 Å²	158.1	100%	1.197	88%	0.877	S	S	*	*				0	130.6	0	-79.2	-90.5	-88.7	0	0	107.4
2	S	32.3	Very low	31.9	Very low	104 Å²	104	164.4 Å²	164.4	73%	0.727	88%	0.877	S	S	*	*			trans	91.1	52	-179.7	-160.9	0	0	0	0	119.1
3	V	29.8	Very low	31.4	Very low	146 Å²	146	169.1 Å²	169.1	89%	0.885	88%	0.875	S	S	*	*	S	Bend	trans	-124.3	-0.2	144.6	-176.3	0	0	0	0	111.2
4	A	34.3	Very low	31.2	Very low	105 Å²	105	168.9 Å²	168.9	87%	0.868	88%	0.875	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	4.3	178.6	0	0	0	0	0	114.7
5	A	35.1	Very low	30.9	Very low	84 Å²	84	164.3 Å²	164.3	69%	0.694	86%	0.864	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-0.5	-172.7	0	0	0	0	0	115.2
6	L	30.8	Very low	30.7	Very low	171 Å²	171	162.1 Å²	162.1	90%	0.895	86%	0.859	S	S	*	*	S	Bend	trans	-105.8	28.1	-172.6	-103.5	154.5	0	0	0	114.8
7	R	33.3	Very low	30.6	Very low	236 Å²	236	158.5 Å²	158.5	89%	0.891	86%	0.858	S	S	*	*	S	Bend	trans	-134.1	38	175.8	-88.6	-147.7	-179.3	-168.5	2.7	115.7
8	L	33.1	Very low	30.6	Very low	163 Å²	163	153.9 Å²	153.9	85%	0.853	85%	0.854	S	S	*	*	S	Bend	trans	-133.6	7.9	172.9	-91.6	174.2	0	0	0	118.3
9	I	33.8	Very low	30.7	Very low	160 Å²	160	152.4 Å²	152.4	82%	0.821	85%	0.851	S	S	*	*	S	Bend	trans	-144.1	73.9	170.4	-48	179	0	0	0	111.3
10	H	26.8	Very low	31.3	Very low	185 Å²	185	151.3 Å²	151.3	86%	0.856	85%	0.851	S	S	*	*			trans	-178.8	92.4	139.7	-111.1	11.9	0	0	0	110.9
11	C	29.9	Very low	31.1	Very low	142 Å²	142	147.3 Å²	147.3	96%	0.959	84%	0.844	S	S	*	*			trans	-160	98.8	147.8	-101.2	0	0	0	0	107.9
12	R	27.3	Very low	30.6	Very low	234 Å²	234	142 Å²	142	88%	0.883	82%	0.824	S	S	*	*			trans	-105.6	137.7	162.3	-120.7	-175.2	-177.9	-177.7	2.1	107.1
13	R	25.5	Very low	30.5	Very low	225 Å²	225	143.7 Å²	143.7	85%	0.849	83%	0.825	S	S	*	*			trans	77.2	114.3	158.6	-68.8	-179.6	165.9	177.2	-4.5	119.2
14	L	28.5	Very low	30.5	Very low	166 Å²	166	146.5 Å²	146.5	87%	0.869	83%	0.826	S	S	*	*				-179.8	101	104.4	-88.9	157.2	0	0	0	107.3
15	S	27.8	Very low	30.9	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	82%	0.82	S	S	*	*				72.5	117.5	99.4	-143.1	0	0	0	0	112.8
16	T	27.1	Very low	30.7	Very low	128 Å²	128	153.4 Å²	153.4	79%	0.785	83%	0.831	S	S	*	*				-178.6	151.2	68.6	35.4	0	0	0	0	112
17	A	29.7	Very low	31	Very low	102 Å²	102	150.1 Å²	150.1	84%	0.843	81%	0.814	S	S	*	*			trans	77.9	107.2	149.8	0	0	0	0	0	123.9
18	G	29.5	Very low	31.2	Very low	76 Å²	76	149.1 Å²	149.1	78%	0.784	81%	0.81	S	S	*	*				92.7	120.4	123.2	0	0	0	0	0	122.2
19	P	33.4	Very low	31.4	Very low	125 Å²	125	149.5 Å²	149.5	81%	0.812	81%	0.805	S	S	*	*			trans	-107.1	-171.6	174.6	43.5	-33.3	0	0	0	112.7
20	P	42.3	Very low	31.6	Very low	130 Å²	130	148 Å²	148	84%	0.844	79%	0.794	S	S	*	*			cis	-133.8	170.2	-1.4	39	-20.5	0	0	0	116.1
21	G	26.2	Very low	32.2	Very low	68 Å²	68	144.9 Å²	144.9	70%	0.701	78%	0.783	S	S	*	*			trans	129.3	97.6	139.8	0	0	0	0	0	120.6
22	V	27.2	Very low	32.6	Very low	130 Å²	130	147.2 Å²	147.2	79%	0.788	77%	0.772	S	S	*	*			trans	82	108.9	136.9	-168.1	0	0	0	0	120.8
23	N	30.3	Very low	33	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	76%	0.763	S	S	*	*			trans	60.4	120.5	145.9	-66.3	-18.9	0	0	0	121.4
24	K	28.6	Very low	33.6	Very low	205 Å²	205	138.2 Å²	138.2	89%	0.891	75%	0.749	S	S	*	*				-160.2	108.8	112	-104.6	164.1	-173.4	179.2	0	112.9
25	V	42.1	Very low	34.1	Very low	122 Å²	122	133 Å²	133	74%	0.739	73%	0.73	S	S	*	*			trans	-0.7	122.6	144.3	-177.1	0	0	0	0	115.5
26	F	31	Very low	34.5	Very low	213 Å²	213	136.1 Å²	136.1	93%	0.934	73%	0.731	S	S	*	*			trans	-132.2	144.1	156.9	-119.1	-91.3	0	0	0	112.1
27	L	37.5	Very low	35.1	Very low	102 Å²	102	134.7 Å²	134.7	53%	0.534	72%	0.722	S	S	.	*			trans	-91.1	115	-142.3	-157.7	82.4	0	0	0	112.5	K29	L27-K29 HydrophobicContact CD2-CB 4.26Å; L27-K29 HydrophobicContact CG-CB 4.37Å; L27-K29 PolarHBondContact O-N 3.12Å
28	W	38.2	Very low	35.5	Very low	215 Å²	215	133.6 Å²	133.6	81%	0.814	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	1.7	-179.7	-139.7	42.5	0	0	0	115.5
29	K	35.9	Very low	35.7	Very low	171 Å²	171	133 Å²	133	74%	0.743	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-17	-176.3	-116.5	174.8	178.9	177.1	0	114.4	L27	L27-K29 HydrophobicContact CD2-CB 4.26Å; L27-K29 HydrophobicContact CG-CB 4.37Å; L27-K29 PolarHBondContact O-N 3.12Å
30	H	38.8	Very low	36	Very low	127 Å²	127	130.3 Å²	130.3	59%	0.588	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-25.9	-179.9	-75.7	-79.4	0	0	0	114.5	K33 I34	H30-K33 PolarHBondContact O-N 3.23Å; H30-I34 WeakPolarHBondContact O-CG1 3.46Å; H30-I34 PolarHBondContact O-N 3.43Å
31	L	40.4	Very low	36.1	Very low	120 Å²	120	129 Å²	129	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-69.8	-33.2	179.6	-84.7	156.7	0	0	0	113.5	I34 A35	L31-I34 PolarHBondContact O-N 2.77Å; L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.78Å; L31-A35 VanDerWaalsContact O-N 3.08Å
32	R	37.5	Very low	37.1	Very low	191 Å²	191	129.9 Å²	129.9	72%	0.721	66%	0.658	S	S	*	*	H	α-helix	trans	-70.7	-29	177.4	-91.4	-176.7	-170.7	164	4.8	114.2	K36	R32-K36 PolarHBondContact O-N 3.39Å
33	K	35.1	Very low	37.8	Very low	162 Å²	162	131 Å²	131	70%	0.704	65%	0.653	S	S	*	*	H	α-helix	trans	-77.2	-36.3	175.7	-91	-175.4	174.9	-176.5	0	111.6	H30 V37	H30-K33 PolarHBondContact O-N 3.23Å; K33-V37 WeakPolarHBondContact O-CG2 3.22Å; K33-V37 PolarHBondContact O-N 2.76Å
34	I	39.4	Very low	38.3	Very low	108 Å²	108	126.4 Å²	126.4	55%	0.554	64%	0.638	S	S	*	*	H	α-helix	trans	-67.4	-42.4	176.1	-64.8	169.6	0	0	0	110.5	H30 L31 K36 V37 T38	H30-I34 WeakPolarHBondContact O-CG1 3.46Å; H30-I34 PolarHBondContact O-N 3.43Å; L31-I34 PolarHBondContact O-N 2.77Å; I34-K36 PolarHBondContact O-N 3.36Å; I34-V37 PolarHBondContact O-N 2.89Å; I34-T38 PolarHBondContact O-N 2.94Å; I34-T38 PolarHBondContact O-OG1 2.9Å
35	A	37.2	Very low	38.9	Very low	56 Å²	56	118.1 Å²	118.1	46%	0.463	61%	0.611	S	S	.	*	H	α-helix	trans	-64.1	-38.2	178.2	0	0	0	0	0	113.8	L31 T38 S39	L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.78Å; L31-A35 VanDerWaalsContact O-N 3.08Å; A35-T38 PolarHBondContact O-OG1 2.76Å; A35-S39 VanDerWaalsContact O-CB 3.32Å; A35-S39 WeakPolarHBondContact O-CB 3.26Å; A35-S39 PolarHBondContact O-N 2.64Å; A35-S39 PolarHBondContact O-OG 3.45Å
36	K	37.3	Very low	39	Very low	167 Å²	167	115.9 Å²	115.9	73%	0.726	60%	0.6	S	S	*	*	H	α-helix	trans	-71.3	-32	177.7	-89.3	-173.3	172.1	-174	0	113.8	R32 I34 S39 A40	R32-K36 PolarHBondContact O-N 3.39Å; I34-K36 PolarHBondContact O-N 3.36Å; K36-S39 PolarHBondContact O-OG 3.49Å; K36-A40 PolarHBondContact O-N 3.3Å
37	V	40	Very low	39.5	Very low	98 Å²	98	111.1 Å²	111.1	59%	0.594	58%	0.583	S	S	*	*	H	α-helix	trans	-80.5	-38.8	179.2	175	0	0	0	0	110.9	K33 I34 V41	K33-V37 WeakPolarHBondContact O-CG2 3.22Å; K33-V37 PolarHBondContact O-N 2.76Å; I34-V37 PolarHBondContact O-N 2.89Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.31Å; V37-V41 PolarHBondContact O-N 2.8Å
38	T	38.1	Very low	39.8	Very low	79 Å²	79	112.6 Å²	112.6	49%	0.485	59%	0.586	S	S	.	*	H	α-helix	trans	-69.9	-35.6	174.9	34.8	0	0	0	0	112.7	I34 A35 V42	I34-T38 PolarHBondContact O-N 2.94Å; I34-T38 PolarHBondContact O-OG1 2.9Å; A35-T38 PolarHBondContact O-OG1 2.76Å; T38-V42 WeakPolarHBondContact O-CB 3.45Å; T38-V42 WeakPolarHBondContact O-CG2 3.26Å; T38-V42 PolarHBondContact O-N 2.66Å; T38-V42 VanDerWaalsContact O-N 3.09Å
39	S	33.7	Very low	40.3	Very low	65 Å²	65	107.5 Å²	107.5	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-67.3	-36.2	177	62.2	0	0	0	0	113.3	A35 K36 F43	A35-S39 VanDerWaalsContact O-CB 3.32Å; A35-S39 WeakPolarHBondContact O-CB 3.26Å; A35-S39 PolarHBondContact O-N 2.64Å; A35-S39 PolarHBondContact O-OG 3.45Å; K36-S39 PolarHBondContact O-OG 3.49Å; S39-F43 WeakPolarHBondContact O-CB 3.34Å; S39-F43 PolarHBondContact O-N 3.08Å; S39-F43 VanDerWaalsContact O-N 3.13Å
40	A	39.6	Very low	40.8	Very low	67 Å²	67	103.5 Å²	103.5	55%	0.554	56%	0.563	S	S	*	*	H	α-helix	trans	-75.1	-35.2	179.2	0	0	0	0	0	112.9	K36 G44	K36-A40 PolarHBondContact O-N 3.3Å; A40-G44 PolarHBondContact O-N 3.36Å
41	V	43.8	Very low	41.3	Very low	103 Å²	103	105.5 Å²	105.5	62%	0.624	57%	0.567	S	S	*	*	H	α-helix	trans	-73.5	-36.6	177.5	173.6	0	0	0	0	111.7	V37 G45	V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.31Å; V37-V41 PolarHBondContact O-N 2.8Å; V41-G45 PolarHBondContact O-N 3.48Å
42	V	47.5	Very low	41.5	Very low	87 Å²	87	104 Å²	104	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-72.4	-43.2	177	174.5	0	0	0	0	111.3	T38 C46	T38-V42 WeakPolarHBondContact O-CB 3.45Å; T38-V42 WeakPolarHBondContact O-CG2 3.26Å; T38-V42 PolarHBondContact O-N 2.66Å; T38-V42 VanDerWaalsContact O-N 3.09Å; V42-C46 VanDerWaalsContact O-CB 3.3Å; V42-C46 WeakPolarHBondContact O-CB 3.31Å; V42-C46 PolarHBondContact O-N 3.49Å; V42-C46 PolarHBondContact O-SG 2.96Å; V42-C46 VanDerWaalsContact O-SG 3.33Å
43	F	42.1	Very low	42.1	Very low	154 Å²	154	99.4 Å²	99.4	68%	0.675	55%	0.549	S	S	*	.	H	α-helix	trans	-70	-41.5	177	-103.8	-90.6	0	0	0	113	S39 L47	S39-F43 WeakPolarHBondContact O-CB 3.34Å; S39-F43 PolarHBondContact O-N 3.08Å; S39-F43 VanDerWaalsContact O-N 3.13Å; F43-L47 HydrophobicContact CD1-CD1 4.42Å; F43-L47 WeakPolarHBondContact O-CB 3.34Å; F43-L47 PolarHBondContact O-N 2.9Å
44	G	41.3	Very low	42.5	Very low	42 Å²	42	97.7 Å²	97.7	43%	0.433	54%	0.542	S	S	.	.	H	α-helix	trans	-66.9	-37.9	176.3	0	0	0	0	0	113	A40 F48	A40-G44 PolarHBondContact O-N 3.36Å; G44-F48 WeakPolarHBondContact O-CB 3.3Å; G44-F48 PolarHBondContact O-N 3.47Å; G44-F48 VanDerWaalsContact O-N 3.11Å
45	G	40.5	Very low	42.9	Very low	32 Å²	32	94.5 Å²	94.5	33%	0.33	53%	0.532	S	S	.	.	H	α-helix	trans	-69.3	-40.9	174.9	0	0	0	0	0	113.2	V41 I49	V41-G45 PolarHBondContact O-N 3.48Å; G45-I49 WeakPolarHBondContact O-CD1 3.41Å; G45-I49 VanDerWaalsContact O-CG1 3.25Å; G45-I49 WeakPolarHBondContact O-CG1 3.34Å; G45-I49 PolarHBondContact O-N 3.21Å
46	C	44.3	Very low	43.2	Very low	75 Å²	75	96.9 Å²	96.9	51%	0.507	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-40.7	175.6	-76.2	0	0	0	0	112.2	V42 I49 T50	V42-C46 VanDerWaalsContact O-CB 3.3Å; V42-C46 WeakPolarHBondContact O-CB 3.31Å; V42-C46 PolarHBondContact O-N 3.49Å; V42-C46 PolarHBondContact O-SG 2.96Å; V42-C46 VanDerWaalsContact O-SG 3.33Å; C46-I49 PolarHBondContact O-N 3.15Å; C46-T50 WeakPolarHBondContact O-CG2 3.45Å; C46-T50 PolarHBondContact O-N 2.79Å; C46-T50 PolarHBondContact O-OG1 3.34Å
47	L	41.3	Very low	43.5	Very low	113 Å²	113	94.4 Å²	94.4	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-40.3	177	-108.3	126.4	0	0	0	112.5	F43 T50 Y51	F43-L47 HydrophobicContact CD1-CD1 4.42Å; F43-L47 WeakPolarHBondContact O-CB 3.34Å; F43-L47 PolarHBondContact O-N 2.9Å; L47-T50 VanDerWaalsContact CA-OG1 3.31Å; L47-T50 WeakPolarHBondContact CA-OG1 3.41Å; L47-T50 PolarHBondContact O-N 3.03Å; L47-T50 PolarHBondContact O-OG1 3.02Å; L47-Y51 VanDerWaalsContact O-CB 3.3Å; L47-Y51 WeakPolarHBondContact O-CB 3.49Å; L47-Y51 PolarHBondContact O-N 3.46Å
48	F	44.9	Very low	43.6	Very low	132 Å²	132	97.4 Å²	97.4	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-66.4	-43.5	177.6	-167.2	-95.1	0	0	0	111.7	G44 Y51 E52	G44-F48 WeakPolarHBondContact O-CB 3.3Å; G44-F48 PolarHBondContact O-N 3.47Å; G44-F48 VanDerWaalsContact O-N 3.11Å; F48-Y51 PolarHBondContact O-N 3.47Å; F48-E52 HydrophobicContact CD1-CG 4.03Å; F48-E52 HydrophobicContact CE1-CG 3.71Å; F48-E52 HydrophobicContact CZ-CG 4.09Å; F48-E52 WeakPolarHBondContact O-CB 3.36Å; F48-E52 WeakPolarHBondContact O-CG 3.43Å; F48-E52 PolarHBondContact O-N 3.32Å
49	I	47.8	Very low	43.8	Very low	109 Å²	109	97.9 Å²	97.9	56%	0.559	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-42.4	176.1	-66.6	167.4	0	0	0	110.7	G45 C46 Y51 E52 V53	G45-I49 WeakPolarHBondContact O-CD1 3.41Å; G45-I49 VanDerWaalsContact O-CG1 3.25Å; G45-I49 WeakPolarHBondContact O-CG1 3.34Å; G45-I49 PolarHBondContact O-N 3.21Å; C46-I49 PolarHBondContact O-N 3.15Å; I49-Y51 VanDerWaalsContact C-N 3.32Å; I49-Y51 PolarHBondContact O-N 3.17Å; I49-E52 PolarHBondContact O-N 3.33Å; I49-V53 HydrophobicContact CG2-CG2 4.12Å; I49-V53 VanDerWaalsContact O-CB 3.28Å; I49-V53 WeakPolarHBondContact O-CB 3.28Å; I49-V53 WeakPolarHBondContact O-CG2 3.5Å; I49-V53 PolarHBondContact O-N 3.25Å
50	T	45.9	Very low	44	Very low	87 Å²	87	98.3 Å²	98.3	53%	0.534	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-35.3	177	49.2	0	0	0	0	112.5	C46 L47 F54	C46-T50 WeakPolarHBondContact O-CG2 3.45Å; C46-T50 PolarHBondContact O-N 2.79Å; C46-T50 PolarHBondContact O-OG1 3.34Å; L47-T50 VanDerWaalsContact CA-OG1 3.31Å; L47-T50 WeakPolarHBondContact CA-OG1 3.41Å; L47-T50 PolarHBondContact O-N 3.03Å; L47-T50 PolarHBondContact O-OG1 3.02Å; T50-F54 WeakPolarHBondContact O-CB 3.41Å; T50-F54 PolarHBondContact O-N 3.14Å
51	Y	50	Low	44	Very low	169 Å²	169	101.6 Å²	101.6	66%	0.663	56%	0.556	S	S	*	*	H	α-helix	trans	-70.4	-44	176.7	-177.6	-94.5	0	0	0	111.7	L47 F48 I49 F54 A55	L47-Y51 VanDerWaalsContact O-CB 3.3Å; L47-Y51 WeakPolarHBondContact O-CB 3.49Å; L47-Y51 PolarHBondContact O-N 3.46Å; F48-Y51 PolarHBondContact O-N 3.47Å; I49-Y51 VanDerWaalsContact C-N 3.32Å; I49-Y51 PolarHBondContact O-N 3.17Å; Y51-F54 PolarHBondContact O-N 2.79Å; Y51-A55 VanDerWaalsContact O-CB 3.27Å; Y51-A55 WeakPolarHBondContact O-CB 3.38Å; Y51-A55 PolarHBondContact O-N 3.5Å
52	E	45.3	Very low	44	Very low	89 Å²	89	101.9 Å²	101.9	42%	0.416	55%	0.553	S	S	.	*	H	α-helix	trans	-65.5	-40.4	176	-76.6	-72.4	146	0	0	112	F48 I49 A55 L56	F48-E52 HydrophobicContact CD1-CG 4.03Å; F48-E52 HydrophobicContact CE1-CG 3.71Å; F48-E52 HydrophobicContact CZ-CG 4.09Å; F48-E52 WeakPolarHBondContact O-CB 3.36Å; F48-E52 WeakPolarHBondContact O-CG 3.43Å; F48-E52 PolarHBondContact O-N 3.32Å; I49-E52 PolarHBondContact O-N 3.33Å; E52-A55 PolarHBondContact O-N 2.94Å; E52-L56 WeakPolarHBondContact O-CB 3.5Å; E52-L56 PolarHBondContact O-N 3.4Å
53	V	48.6	Very low	43.6	Very low	93 Å²	93	102.6 Å²	102.6	56%	0.564	55%	0.554	S	S	*	*	H	α-helix	trans	-65.7	-38.8	174.7	170.7	0	0	0	0	111.1	I49 L56 D57	I49-V53 HydrophobicContact CG2-CG2 4.12Å; I49-V53 VanDerWaalsContact O-CB 3.28Å; I49-V53 WeakPolarHBondContact O-CB 3.28Å; I49-V53 WeakPolarHBondContact O-CG2 3.5Å; I49-V53 PolarHBondContact O-N 3.25Å; V53-L56 WeakPolarHBondContact O-CB 3.34Å; V53-L56 PolarHBondContact O-N 3.01Å; V53-D57 WeakPolarHBondContact O-CB 3.39Å; V53-D57 PolarHBondContact O-N 2.89Å
54	F	43.6	Very low	43.8	Very low	126 Å²	126	100 Å²	100	55%	0.553	55%	0.55	S	S	*	*	H	α-helix	trans	-73.3	-30	176.7	-158.9	-95.9	0	0	0	112.7	T50 Y51 K58	T50-F54 WeakPolarHBondContact O-CB 3.41Å; T50-F54 PolarHBondContact O-N 3.14Å; Y51-F54 PolarHBondContact O-N 2.79Å; F54-K58 HydrophobicContact CE1-CD 4.36Å; F54-K58 PolarHBondContact O-N 3.48Å; F54-K58 VanDerWaalsContact O-N 3.15Å
55	A	47.8	Very low	44	Very low	42 Å²	42	101.1 Å²	101.1	35%	0.347	55%	0.552	S	S	.	*	H	α-helix	trans	-73.2	-33.3	171.1	0	0	0	0	0	111.8	Y51 E52 S59	Y51-A55 VanDerWaalsContact O-CB 3.27Å; Y51-A55 WeakPolarHBondContact O-CB 3.38Å; Y51-A55 PolarHBondContact O-N 3.5Å; E52-A55 PolarHBondContact O-N 2.94Å; A55-S59 WeakPolarHBondContact O-CB 3.43Å; A55-S59 PolarHBondContact O-N 2.79Å; A55-S59 VanDerWaalsContact O-N 3.11Å; A55-S59 PolarHBondContact O-OG 3.15Å
56	L	43.4	Very low	44.3	Very low	106 Å²	106	101.9 Å²	101.9	56%	0.555	56%	0.555	S	S	*	*	H	α-helix	trans	-65.6	-46.9	170.4	-124.7	93.9	0	0	0	111.1	E52 V53 K58 S59 V60	E52-L56 WeakPolarHBondContact O-CB 3.5Å; E52-L56 PolarHBondContact O-N 3.4Å; V53-L56 WeakPolarHBondContact O-CB 3.34Å; V53-L56 PolarHBondContact O-N 3.01Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.32Å; L56-S59 WeakPolarHBondContact CA-OG 3.41Å; L56-S59 PolarHBondContact O-N 2.7Å; L56-S59 PolarHBondContact O-OG 3.41Å; L56-V60 WeakPolarHBondContact O-CB 3.25Å; L56-V60 WeakPolarHBondContact O-CG2 3.37Å; L56-V60 PolarHBondContact O-N 2.77Å
57	D	43.5	Very low	44.2	Very low	114 Å²	114	101.6 Å²	101.6	61%	0.61	55%	0.548	S	S	*	.	H	α-helix	trans	-59.5	-37.2	178.3	-172.4	61.6	0	0	0	112.2	V53	V53-D57 WeakPolarHBondContact O-CB 3.39Å; V53-D57 PolarHBondContact O-N 2.89Å
58	K	42.7	Very low	44.4	Very low	161 Å²	161	101.8 Å²	101.8	70%	0.7	55%	0.549	S	S	*	.	H	α-helix	trans	-78	-20.8	174.6	-81.1	-167.3	172.1	-173.7	0	115.2	F54 L56	F54-K58 HydrophobicContact CE1-CD 4.36Å; F54-K58 PolarHBondContact O-N 3.48Å; F54-K58 VanDerWaalsContact O-N 3.15Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.32Å
59	S	41.8	Very low	44.7	Very low	89 Å²	89	103.8 Å²	103.8	62%	0.622	56%	0.56	S	S	*	*	H	α-helix	trans	-99.2	-14.8	-178.4	56.5	0	0	0	0	113.5	A55 L56	A55-S59 WeakPolarHBondContact O-CB 3.43Å; A55-S59 PolarHBondContact O-N 2.79Å; A55-S59 VanDerWaalsContact O-N 3.11Å; A55-S59 PolarHBondContact O-OG 3.15Å; L56-S59 WeakPolarHBondContact CA-OG 3.41Å; L56-S59 PolarHBondContact O-N 2.7Å; L56-S59 PolarHBondContact O-OG 3.41Å
60	V	38.2	Very low	44.6	Very low	75 Å²	75	101 Å²	101	46%	0.455	54%	0.544	S	S	.	.			trans	-113.4	88.6	176.8	-172	0	0	0	0	109	L56 I62	L56-V60 WeakPolarHBondContact O-CB 3.25Å; L56-V60 WeakPolarHBondContact O-CG2 3.37Å; L56-V60 PolarHBondContact O-N 2.77Å; V60-I62 HydrophobicContact CG1-CD1 4.09Å; V60-I62 HydrophobicContact CG1-CG1 3.48Å; V60-I62 VanDerWaalsContact CG1-CG1 3.48Å; V60-I62 PolarHBondContact O-N 3.05Å
61	T	39.4	Very low	44.2	Very low	135 Å²	135	104 Å²	104	83%	0.828	55%	0.55	S	S	*	*			trans	-75.1	91.8	165.2	43.7	0	0	0	0	108.7
62	I	43.9	Very low	43.9	Very low	110 Å²	110	106.6 Å²	106.6	56%	0.564	56%	0.56	S	S	*	*			trans	-76.6	126.2	170.9	-50.6	178.7	0	0	0	107.8	V60 T64 I67	V60-I62 HydrophobicContact CG1-CD1 4.09Å; V60-I62 HydrophobicContact CG1-CG1 3.48Å; V60-I62 VanDerWaalsContact CG1-CG1 3.48Å; V60-I62 PolarHBondContact O-N 3.05Å; I62-T64 PolarHBondContact O-N 3.26Å; I62-I67 HydrophobicContact CB-CD1 4.4Å; I62-I67 HydrophobicContact CG2-CD1 3.55Å; I62-I67 HydrophobicContact CG2-CG1 4.25Å
63	D	39.2	Very low	43.6	Very low	102 Å²	102	108 Å²	108	55%	0.545	57%	0.565	S	S	.	*			trans	-65.6	100.4	173.9	-170.5	-9.8	0	0	0	109.6	S65 A66	D63-S65 PolarHBondContact O-N 2.84Å; D63-S65 VanDerWaalsContact O-N 3.15Å; D63-S65 VanDerWaalsContact OD1-CB 3.31Å; D63-S65 WeakPolarHBondContact OD1-CB 3.14Å; D63-S65 PolarHBondContact OD1-N 2.94Å; D63-S65 PolarHBondContact OD1-OG 3.11Å; D63-S65 PolarHBondContact OD2-OG 3.42Å; D63-A66 PolarHBondContact O-N 3.09Å
64	T	46.7	Very low	42.9	Very low	98 Å²	98	109.4 Å²	109.4	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-64.9	-14.6	-179.6	44.9	0	0	0	0	113.1	I62 L68	I62-T64 PolarHBondContact O-N 3.26Å; T64-L68 PolarHBondContact O-N 3.26Å; T64-L68 VanDerWaalsContact O-N 3.16Å
65	S	44.3	Very low	42.8	Very low	66 Å²	66	107.8 Å²	107.8	46%	0.462	57%	0.57	S	S	.	*	H	α-helix	trans	-72.8	-34.7	175.2	73.5	0	0	0	0	112.2	D63 L68 Q69	D63-S65 PolarHBondContact O-N 2.84Å; D63-S65 VanDerWaalsContact O-N 3.15Å; D63-S65 VanDerWaalsContact OD1-CB 3.31Å; D63-S65 WeakPolarHBondContact OD1-CB 3.14Å; D63-S65 PolarHBondContact OD1-N 2.94Å; D63-S65 PolarHBondContact OD1-OG 3.11Å; D63-S65 PolarHBondContact OD2-OG 3.42Å; S65-L68 PolarHBondContact O-N 3.02Å; S65-Q69 PolarHBondContact O-N 3.39Å; S65-Q69 VanDerWaalsContact O-N 3.15Å
66	A	46.9	Very low	42.2	Very low	48 Å²	48	112 Å²	112	40%	0.397	59%	0.585	S	S	.	*	H	α-helix	trans	-67.4	-38.9	172.3	0	0	0	0	0	111.7	D63 L68 Q69 E70	D63-A66 PolarHBondContact O-N 3.09Å; A66-L68 VanDerWaalsContact C-N 3.32Å; A66-L68 PolarHBondContact O-N 3.41Å; A66-Q69 PolarHBondContact O-N 2.95Å; A66-E70 VanDerWaalsContact O-CB 3.31Å; A66-E70 WeakPolarHBondContact O-CB 3.37Å; A66-E70 WeakPolarHBondContact O-CG 3.32Å; A66-E70 PolarHBondContact O-N 2.76Å
67	I	42.8	Very low	41.9	Very low	70 Å²	70	112.7 Å²	112.7	36%	0.359	58%	0.581	S	S	.	*	H	α-helix	trans	-64.1	-36.2	176.1	-66	170.1	0	0	0	111.6	I62 E70 K71	I62-I67 HydrophobicContact CB-CD1 4.4Å; I62-I67 HydrophobicContact CG2-CD1 3.55Å; I62-I67 HydrophobicContact CG2-CG1 4.25Å; I67-E70 PolarHBondContact O-N 3.49Å; I67-K71 WeakPolarHBondContact O-CB 3.07Å; I67-K71 PolarHBondContact O-N 3.27Å
68	L	46.2	Very low	41.4	Very low	117 Å²	117	115.5 Å²	115.5	61%	0.613	60%	0.595	S	S	*	*	H	α-helix	trans	-74	-33.5	177.8	-76.8	168.7	0	0	0	112.6	T64 S65 A66 K71	T64-L68 PolarHBondContact O-N 3.26Å; T64-L68 VanDerWaalsContact O-N 3.16Å; S65-L68 PolarHBondContact O-N 3.02Å; A66-L68 VanDerWaalsContact C-N 3.32Å; A66-L68 PolarHBondContact O-N 3.41Å; L68-K71 HydrophobicContact CD2-CD 4.32Å
69	Q	51.3	Low	40.7	Very low	174 Å²	174	112.7 Å²	112.7	81%	0.813	60%	0.596	S	S	*	*	H	α-helix	trans	-70	-33.7	170.5	-87.5	-174.2	-19.7	0	0	112.7	S65 A66	S65-Q69 PolarHBondContact O-N 3.39Å; S65-Q69 VanDerWaalsContact O-N 3.15Å; A66-Q69 PolarHBondContact O-N 2.95Å
70	E	44.9	Very low	40.3	Very low	50 Å²	50	113.6 Å²	113.6	23%	0.234	61%	0.609	C	S	.	*	S	Bend	trans	-92.9	1.7	-176.4	-69.8	-109.4	123.4	0	0	114.1	A66 I67 Y72 K73	A66-E70 VanDerWaalsContact O-CB 3.31Å; A66-E70 WeakPolarHBondContact O-CB 3.37Å; A66-E70 WeakPolarHBondContact O-CG 3.32Å; A66-E70 PolarHBondContact O-N 2.76Å; I67-E70 PolarHBondContact O-N 3.49Å; E70-Y72 PolarHBondContact O-N 3.46Å; E70-K73 PolarHBondContact O-N 3.36Å; E70-K73 WeakPolarHBondContact OE1-CD 3.27Å; E70-K73 IonicContact OE1-NZ 3.85Å; E70-K73 PolarHBondContact OE1-NZ 3.02Å
71	K	37.9	Very low	40.1	Very low	151 Å²	151	115.9 Å²	115.9	66%	0.657	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-12.5	-171.6	-155	-179.6	-178	-179.2	0	115.7	I67 L68	I67-K71 WeakPolarHBondContact O-CB 3.07Å; I67-K71 PolarHBondContact O-N 3.27Å; L68-K71 HydrophobicContact CD2-CD 4.32Å
72	Y	44.1	Very low	39.7	Very low	223 Å²	223	115.1 Å²	115.1	88%	0.875	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	8	177.6	-66.4	-75.7	0	0	0	114.1	E70	E70-Y72 PolarHBondContact O-N 3.46Å
73	K	37.4	Very low	39.3	Very low	118 Å²	118	114.9 Å²	114.9	51%	0.513	63%	0.631	S	S	.	*	S	Bend	trans	-105.2	138.9	174.7	-63.1	-177.2	-172.5	168.4	0	110.6	E70 Y75	E70-K73 PolarHBondContact O-N 3.36Å; E70-K73 WeakPolarHBondContact OE1-CD 3.27Å; E70-K73 IonicContact OE1-NZ 3.85Å; E70-K73 PolarHBondContact OE1-NZ 3.02Å; K73-Y75 PolarHBondContact O-N 3.48Å; K73-Y75 VanDerWaalsContact O-N 3.08Å
74	S	35.8	Very low	39.3	Very low	123 Å²	123	115.8 Å²	115.8	86%	0.86	64%	0.641	S	S	*	*	S	Bend	trans	-72.8	4	-172.8	-36.8	0	0	0	0	114.8
75	Y	41.6	Very low	39	Very low	92 Å²	92	119.8 Å²	119.8	36%	0.361	65%	0.653	S	S	.	*	S	Bend	trans	-159.4	150.6	-177.6	51.4	-80	0	0	0	111	K73 Y77	K73-Y75 PolarHBondContact O-N 3.48Å; K73-Y75 VanDerWaalsContact O-N 3.08Å; Y75-Y77 HydrophobicContact CD2-CD2 4.37Å; Y75-Y77 HydrophobicContact CD2-CE1 4.14Å; Y75-Y77 AromaticContact CD2-CE2 3.89Å; Y75-Y77 HydrophobicContact CD2-CE2 3.89Å; Y75-Y77 AromaticContact CD2-CZ 3.83Å; Y75-Y77 HydrophobicContact CE2-CD1 4.46Å; Y75-Y77 HydrophobicContact CE2-CD2 4.37Å; Y75-Y77 AromaticContact CE2-CE1 3.62Å; Y75-Y77 HydrophobicContact CE2-CE1 3.62Å; Y75-Y77 AromaticContact CE2-CE2 3.49Å; Y75-Y77 HydrophobicContact CE2-CE2 3.49Å; Y75-Y77 VanDerWaalsContact CE2-CE2 3.49Å; Y75-Y77 AromaticContact CE2-CZ 3.09Å; Y75-Y77 WeakPolarHBondContact CE2-OH 3.15Å; Y75-Y77 AromaticContact CZ-CZ 3.91Å; Y75-Y77 PolarHBondContact OH-OH 3.06Å
76	I	33.6	Very low	38.7	Very low	130 Å²	130	126.7 Å²	126.7	67%	0.667	67%	0.668	S	S	*	*			trans	-105.8	127.3	-179.8	-59.8	171.4	0	0	0	108.6
77	Y	38	Very low	38.6	Very low	121 Å²	121	131 Å²	131	48%	0.475	68%	0.68	S	S	.	*			trans	-85.4	132.4	175.2	-63	-89.3	0	0	0	111.1	Y75	Y75-Y77 HydrophobicContact CD2-CD2 4.37Å; Y75-Y77 HydrophobicContact CD2-CE1 4.14Å; Y75-Y77 AromaticContact CD2-CE2 3.89Å; Y75-Y77 HydrophobicContact CD2-CE2 3.89Å; Y75-Y77 AromaticContact CD2-CZ 3.83Å; Y75-Y77 HydrophobicContact CE2-CD1 4.46Å; Y75-Y77 HydrophobicContact CE2-CD2 4.37Å; Y75-Y77 AromaticContact CE2-CE1 3.62Å; Y75-Y77 HydrophobicContact CE2-CE1 3.62Å; Y75-Y77 AromaticContact CE2-CE2 3.49Å; Y75-Y77 HydrophobicContact CE2-CE2 3.49Å; Y75-Y77 VanDerWaalsContact CE2-CE2 3.49Å; Y75-Y77 AromaticContact CE2-CZ 3.09Å; Y75-Y77 WeakPolarHBondContact CE2-OH 3.15Å; Y75-Y77 AromaticContact CZ-CZ 3.91Å; Y75-Y77 PolarHBondContact OH-OH 3.06Å
78	L	31.8	Very low	38.8	Very low	173 Å²	173	135.3 Å²	135.3	91%	0.906	70%	0.704	S	S	*	*			trans	-107.7	104	165.8	-68.7	172.4	0	0	0	108.6
79	S	29.6	Very low	38.3	Very low	101 Å²	101	137 Å²	137	71%	0.706	71%	0.713	S	S	*	*			trans	-87.9	127.2	165	50	0	0	0	0	108.9	T81	S79-T81 PolarHBondContact O-N 3.46Å
80	A	33.8	Very low	37.8	Very low	109 Å²	109	132.1 Å²	132.1	90%	0.901	70%	0.695	S	S	*	*			trans	-80.3	104.9	171.3	0	0	0	0	0	108.7
81	T	31.9	Very low	37.7	Very low	123 Å²	123	132.4 Å²	132.4	76%	0.755	71%	0.707	S	S	*	*			trans	-90.2	118.1	165.4	45.1	0	0	0	0	109	S79 S83	S79-T81 PolarHBondContact O-N 3.46Å; T81-S83 PolarHBondContact O-N 3.4Å
82	S	32.8	Very low	37.8	Very low	119 Å²	119	132.8 Å²	132.8	83%	0.832	71%	0.71	S	S	*	*			trans	-77.2	107	171.3	52.8	0	0	0	0	109.8
83	S	34	Very low	37.6	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	70%	0.7	S	S	*	*			trans	-107.4	119.9	164	68.8	0	0	0	0	109.6	T81 E85	T81-S83 PolarHBondContact O-N 3.4Å; S83-E85 VanDerWaalsContact C-N 3.34Å; S83-E85 PolarHBondContact O-N 3.01Å; S83-E85 VanDerWaalsContact O-N 3.1Å
84	T	39.5	Very low	38.3	Very low	121 Å²	121	126.4 Å²	126.4	74%	0.742	70%	0.699	S	S	*	*	S	Bend	trans	-77.1	27.9	-162	22.7	0	0	0	0	117.1
85	E	40.9	Very low	38.8	Very low	183 Å²	183	127.5 Å²	127.5	86%	0.855	69%	0.691	S	S	*	*	S	Bend	trans	-128.5	23.4	-172.7	-78.3	-169.2	155.8	0	0	117.2	S83	S83-E85 VanDerWaalsContact C-N 3.34Å; S83-E85 PolarHBondContact O-N 3.01Å; S83-E85 VanDerWaalsContact O-N 3.1Å
86	R	38.9	Very low	39.1	Very low	210 Å²	210	128.5 Å²	128.5	79%	0.792	70%	0.701	S	S	*	*			trans	-134.6	24.6	178.3	-79.3	-173.1	176.3	172	-0.5	116.1	N88 T90	R86-N88 PolarHBondContact O-N 2.63Å; R86-T90 PolarHBondContact O-OG1 3.4Å
87	E	44.3	Very low	39.6	Very low	138 Å²	138	124.9 Å²	124.9	65%	0.645	69%	0.691	S	S	*	*	H	α-helix	trans	-78.8	-20.3	-161	-74.6	-170.8	147.6	0	0	117.5	A91	E87-A91 WeakPolarHBondContact O-CB 3.35Å
88	N	46.1	Very low	39.9	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	70%	0.701	S	S	*	*	H	α-helix	trans	-94.8	-13.3	-165.8	-67.7	-13.6	0	0	0	116.6	R86	R86-N88 PolarHBondContact O-N 2.63Å
89	L	36.6	Very low	40.6	Very low	153 Å²	153	128 Å²	128	80%	0.801	69%	0.69	S	S	*	*	H	α-helix	trans	-112.6	-18.8	177.2	-89.6	152.1	0	0	0	113.5
90	T	40.6	Very low	41.3	Very low	71 Å²	71	127.7 Å²	127.7	44%	0.436	68%	0.677	S	S	.	*	H	α-helix	trans	-88.2	-21.8	179.7	54.2	0	0	0	0	112.6	R86 T94	R86-T90 PolarHBondContact O-OG1 3.4Å; T90-T94 VanDerWaalsContact O-CB 3.29Å; T90-T94 WeakPolarHBondContact O-CB 3.32Å; T90-T94 VanDerWaalsContact O-CG2 3.25Å; T90-T94 WeakPolarHBondContact O-CG2 3.5Å; T90-T94 PolarHBondContact O-N 2.93Å; T90-T94 PolarHBondContact O-OG1 3.29Å
91	A	43.5	Very low	41.9	Very low	57 Å²	57	128.4 Å²	128.4	47%	0.471	67%	0.665	S	S	.	*	H	α-helix	trans	-66	-40.6	-178.1	0	0	0	0	0	113.8	E87 T94 Q95	E87-A91 WeakPolarHBondContact O-CB 3.35Å; A91-T94 PolarHBondContact O-OG1 2.89Å; A91-Q95 WeakPolarHBondContact O-CB 3.24Å; A91-Q95 PolarHBondContact O-N 3.2Å
92	E	40.1	Very low	42.4	Very low	158 Å²	158	128.8 Å²	128.8	74%	0.738	66%	0.658	S	S	*	*	H	α-helix	trans	-72.4	-41.5	177.5	-92	-169	146.7	0	0	112.6	Q95 I96	E92-Q95 PolarHBondContact O-N 2.94Å; E92-I96 WeakPolarHBondContact O-CG1 3.31Å; E92-I96 PolarHBondContact O-N 3.41Å
93	L	39.8	Very low	43	Very low	127 Å²	127	128 Å²	128	67%	0.665	64%	0.64	S	S	*	*	H	α-helix	trans	-69.8	-38.4	180	-79.1	164	0	0	0	112.2	A97	L93-A97 WeakPolarHBondContact O-CB 3.16Å; L93-A97 PolarHBondContact O-N 2.9Å
94	T	52	Low	43.4	Very low	80 Å²	80	125.8 Å²	125.8	49%	0.491	63%	0.628	S	S	.	*	H	α-helix	trans	-68.5	-34.1	176	49.3	0	0	0	0	112.2	T90 A91 R98	T90-T94 VanDerWaalsContact O-CB 3.29Å; T90-T94 WeakPolarHBondContact O-CB 3.32Å; T90-T94 VanDerWaalsContact O-CG2 3.25Å; T90-T94 WeakPolarHBondContact O-CG2 3.5Å; T90-T94 PolarHBondContact O-N 2.93Å; T90-T94 PolarHBondContact O-OG1 3.29Å; A91-T94 PolarHBondContact O-OG1 2.89Å; T94-R98 WeakPolarHBondContact O-CB 3.07Å; T94-R98 PolarHBondContact O-N 3.09Å
95	Q	46.5	Very low	43.4	Very low	146 Å²	146	122 Å²	122	68%	0.682	61%	0.609	S	S	*	*	H	α-helix	trans	-68.7	-38.6	178.9	-153.6	-178.4	27.8	0	0	112.1	A91 E92 R99	A91-Q95 WeakPolarHBondContact O-CB 3.24Å; A91-Q95 PolarHBondContact O-N 3.2Å; E92-Q95 PolarHBondContact O-N 2.94Å; Q95-R99 VanDerWaalsContact O-CB 3.24Å; Q95-R99 WeakPolarHBondContact O-CB 3.03Å; Q95-R99 PolarHBondContact O-N 3.28Å
96	I	46.7	Very low	43.4	Very low	113 Å²	113	121.5 Å²	121.5	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-69.9	-47.1	176.3	-64.2	171	0	0	0	110.6	E92 R98 R99 E100	E92-I96 WeakPolarHBondContact O-CG1 3.31Å; E92-I96 PolarHBondContact O-N 3.41Å; I96-R98 PolarHBondContact O-N 2.9Å; I96-R99 PolarHBondContact O-N 2.97Å; I96-E100 PolarHBondContact O-N 3.3Å
97	A	43.9	Very low	43.5	Very low	54 Å²	54	119.9 Å²	119.9	45%	0.446	59%	0.593	S	S	.	*	H	α-helix	trans	-61.6	-42.4	177.4	0	0	0	0	0	112	L93 R99 E100 L101	L93-A97 WeakPolarHBondContact O-CB 3.16Å; L93-A97 PolarHBondContact O-N 2.9Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.45Å; A97-E100 PolarHBondContact O-N 2.89Å; A97-L101 WeakPolarHBondContact O-CB 3.26Å; A97-L101 PolarHBondContact O-N 2.9Å
98	R	43.6	Very low	43.3	Very low	181 Å²	181	120.6 Å²	120.6	68%	0.683	59%	0.594	S	S	*	*	H	α-helix	trans	-68.1	-32.7	178	-159.4	177.5	-159.8	168.3	3.6	112	T94 I96 H102	T94-R98 WeakPolarHBondContact O-CB 3.07Å; T94-R98 PolarHBondContact O-N 3.09Å; I96-R98 PolarHBondContact O-N 2.9Å; R98-H102 WeakPolarHBondContact O-CB 3.16Å; R98-H102 PolarHBondContact O-N 3.17Å
99	R	46.8	Very low	43.1	Very low	178 Å²	178	118.4 Å²	118.4	67%	0.672	58%	0.582	S	S	*	*	H	α-helix	trans	-69.7	-38.7	174.7	-165	176.9	-173.3	-174.9	2.3	112.2	Q95 I96 A97 K103	Q95-R99 VanDerWaalsContact O-CB 3.24Å; Q95-R99 WeakPolarHBondContact O-CB 3.03Å; Q95-R99 PolarHBondContact O-N 3.28Å; I96-R99 PolarHBondContact O-N 2.97Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.45Å; R99-K103 PolarHBondContact O-N 2.83Å
100	E	46	Very low	43.3	Very low	95 Å²	95	115.2 Å²	115.2	44%	0.444	56%	0.563	S	S	.	*	H	α-helix	trans	-76.5	-35.9	175.9	-68.4	-55.1	133.3	0	0	112.4	I96 A97 H102 K103 A104	I96-E100 PolarHBondContact O-N 3.3Å; A97-E100 PolarHBondContact O-N 2.89Å; E100-H102 PolarHBondContact O-N 3.48Å; E100-K103 PolarHBondContact O-N 2.88Å; E100-K103 WeakPolarHBondContact OE1-CD 3.36Å; E100-K103 IonicContact OE1-NZ 3.19Å; E100-K103 PolarHBondContact OE1-NZ 3.34Å; E100-K103 IonicContact OE2-NZ 2.84Å; E100-A104 WeakPolarHBondContact O-CB 3.19Å; E100-A104 PolarHBondContact O-N 3.39Å
101	L	44.7	Very low	43.2	Very low	124 Å²	124	116.5 Å²	116.5	65%	0.649	57%	0.566	S	S	*	*	H	α-helix	trans	-60.7	-42.2	168.2	-103.8	151.5	0	0	0	111.8	A97 A104 A105	A97-L101 WeakPolarHBondContact O-CB 3.26Å; A97-L101 PolarHBondContact O-N 2.9Å; L101-A104 PolarHBondContact O-N 3.16Å; L101-A105 VanDerWaalsContact O-CB 3.24Å; L101-A105 WeakPolarHBondContact O-CB 3.28Å; L101-A105 PolarHBondContact O-N 2.9Å
102	H	43.9	Very low	42.9	Very low	132 Å²	132	115.2 Å²	115.2	61%	0.611	55%	0.554	S	S	*	*	H	α-helix	trans	-66.7	-36.1	174.2	-95.7	-48.3	0	0	0	112.9	R98 E100 R106	R98-H102 WeakPolarHBondContact O-CB 3.16Å; R98-H102 PolarHBondContact O-N 3.17Å; E100-H102 PolarHBondContact O-N 3.48Å; H102-R106 WeakPolarHBondContact O-CB 3.2Å; H102-R106 PolarHBondContact O-N 3.48Å
103	K	45	Very low	42.7	Very low	102 Å²	102	110.5 Å²	110.5	44%	0.443	54%	0.538	S	S	.	.	H	α-helix	trans	-66.8	-39.8	172.4	-81.2	176.6	-175.1	166.3	0	112.1	R99 E100 R107	R99-K103 PolarHBondContact O-N 2.83Å; E100-K103 PolarHBondContact O-N 2.88Å; E100-K103 WeakPolarHBondContact OE1-CD 3.36Å; E100-K103 IonicContact OE1-NZ 3.19Å; E100-K103 PolarHBondContact OE1-NZ 3.34Å; E100-K103 IonicContact OE2-NZ 2.84Å; K103-R107 WeakPolarHBondContact O-CB 3.25Å; K103-R107 WeakPolarHBondContact O-CG 3.4Å; K103-R107 PolarHBondContact O-N 3.05Å
104	A	42.1	Very low	42.6	Very low	57 Å²	57	112.1 Å²	112.1	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-45.8	177.2	0	0	0	0	0	111.3	E100 L101 R107 F108	E100-A104 WeakPolarHBondContact O-CB 3.19Å; E100-A104 PolarHBondContact O-N 3.39Å; L101-A104 PolarHBondContact O-N 3.16Å; A104-R107 PolarHBondContact O-N 3.18Å; A104-F108 WeakPolarHBondContact O-CB 3.31Å; A104-F108 PolarHBondContact O-N 3.28Å
105	A	39.4	Very low	41.9	Very low	42 Å²	42	114.3 Å²	114.3	35%	0.347	55%	0.548	S	S	.	.	H	α-helix	trans	-63.5	-40	174.5	0	0	0	0	0	111.9	L101 F108 L109	L101-A105 VanDerWaalsContact O-CB 3.24Å; L101-A105 WeakPolarHBondContact O-CB 3.28Å; L101-A105 PolarHBondContact O-N 2.9Å; A105-F108 PolarHBondContact O-N 2.96Å; A105-L109 WeakPolarHBondContact O-CB 3.31Å; A105-L109 VanDerWaalsContact O-CG 3.31Å; A105-L109 WeakPolarHBondContact O-CG 3.31Å; A105-L109 PolarHBondContact O-N 3.47Å
106	R	40.4	Very low	41.5	Very low	173 Å²	173	113.4 Å²	113.4	65%	0.653	54%	0.542	S	S	*	.	H	α-helix	trans	-65.5	-41	174.6	-172.9	175.7	-174.7	159.7	5.4	111.9	H102 L109 E110	H102-R106 WeakPolarHBondContact O-CB 3.2Å; H102-R106 PolarHBondContact O-N 3.48Å; R106-L109 PolarHBondContact O-N 3.41Å; R106-E110 IonicContact NE-OE1 3.79Å; R106-E110 WeakPolarHBondContact O-CB 3.43Å; R106-E110 WeakPolarHBondContact O-CG 3.28Å; R106-E110 PolarHBondContact O-N 3.09Å
107	R	41.8	Very low	40.9	Very low	175 Å²	175	115.2 Å²	115.2	66%	0.66	55%	0.552	S	S	*	*	H	α-helix	trans	-66	-38.1	172.8	-80.8	-179.6	176.2	176.1	0.2	111.9	K103 A104 E110 I111	K103-R107 WeakPolarHBondContact O-CB 3.25Å; K103-R107 WeakPolarHBondContact O-CG 3.4Å; K103-R107 PolarHBondContact O-N 3.05Å; A104-R107 PolarHBondContact O-N 3.18Å; R107-E110 PolarHBondContact O-N 3.08Å; R107-I111 VanDerWaalsContact O-CB 3.24Å; R107-I111 WeakPolarHBondContact O-CB 3.36Å; R107-I111 WeakPolarHBondContact O-CD1 3.26Å; R107-I111 WeakPolarHBondContact O-CG1 3.49Å; R107-I111 PolarHBondContact O-N 2.66Å
108	F	40.6	Very low	40.4	Very low	154 Å²	154	120.6 Å²	120.6	68%	0.675	57%	0.568	S	S	*	*	H	α-helix	trans	-65.8	-40.5	175.5	-165.6	-94.5	0	0	0	111.5	A104 A105 I111 S112	A104-F108 WeakPolarHBondContact O-CB 3.31Å; A104-F108 PolarHBondContact O-N 3.28Å; A105-F108 PolarHBondContact O-N 2.96Å; F108-I111 PolarHBondContact O-N 2.76Å; F108-S112 VanDerWaalsContact O-CB 3.25Å; F108-S112 WeakPolarHBondContact O-CB 3.05Å; F108-S112 PolarHBondContact O-N 3.43Å; F108-S112 PolarHBondContact O-OG 3.22Å
109	L	40.2	Very low	39.9	Very low	114 Å²	114	116.8 Å²	116.8	60%	0.597	57%	0.569	S	S	*	*	H	α-helix	trans	-70.6	-32.7	173.4	-73.5	167.4	0	0	0	113.1	A105 R106 S112 S113	A105-L109 WeakPolarHBondContact O-CB 3.31Å; A105-L109 VanDerWaalsContact O-CG 3.31Å; A105-L109 WeakPolarHBondContact O-CG 3.31Å; A105-L109 PolarHBondContact O-N 3.47Å; R106-L109 PolarHBondContact O-N 3.41Å; L109-S112 VanDerWaalsContact CA-OG 3.3Å; L109-S112 WeakPolarHBondContact CA-OG 3.38Å; L109-S112 PolarHBondContact O-OG 3.16Å; L109-S112 VanDerWaalsContact O-OG 3.13Å; L109-S113 WeakPolarHBondContact O-CB 3.36Å; L109-S113 PolarHBondContact O-N 2.85Å; L109-S113 PolarHBondContact O-OG 2.79Å
110	E	40.9	Very low	39.5	Very low	87 Å²	87	112 Å²	112	41%	0.407	56%	0.556	S	S	.	*	H	α-helix	trans	-72.5	-35.5	172.7	-84.3	177.2	-176.8	0	0	111.9	R106 R107 S113 K114	R106-E110 IonicContact NE-OE1 3.79Å; R106-E110 WeakPolarHBondContact O-CB 3.43Å; R106-E110 WeakPolarHBondContact O-CG 3.28Å; R106-E110 PolarHBondContact O-N 3.09Å; R107-E110 PolarHBondContact O-N 3.08Å; E110-S113 VanDerWaalsContact CA-OG 3.31Å; E110-S113 WeakPolarHBondContact CA-OG 3.37Å; E110-S113 PolarHBondContact O-OG 3.02Å; E110-S113 VanDerWaalsContact O-OG 3.09Å; E110-K114 VanDerWaalsContact O-CB 3.31Å; E110-K114 WeakPolarHBondContact O-CB 3.2Å; E110-K114 VanDerWaalsContact O-CG 3.24Å; E110-K114 WeakPolarHBondContact O-CG 3.47Å; E110-K114 PolarHBondContact O-N 2.74Å
111	I	40.3	Very low	39	Very low	98 Å²	98	112.8 Å²	112.8	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-74.3	-41.9	176.1	-70.6	165.2	0	0	0	109.8	R107 F108 K114 L115	R107-I111 VanDerWaalsContact O-CB 3.24Å; R107-I111 WeakPolarHBondContact O-CB 3.36Å; R107-I111 WeakPolarHBondContact O-CD1 3.26Å; R107-I111 WeakPolarHBondContact O-CG1 3.49Å; R107-I111 PolarHBondContact O-N 2.66Å; F108-I111 PolarHBondContact O-N 2.76Å; I111-K114 PolarHBondContact O-N 3.48Å; I111-L115 HydrophobicContact CG2-CD1 3.72Å; I111-L115 WeakPolarHBondContact O-CB 3.38Å; I111-L115 PolarHBondContact O-N 3.15Å
112	S	36.5	Very low	38.6	Very low	30 Å²	30	115.4 Å²	115.4	21%	0.21	57%	0.572	C	S	.	*	H	α-helix	trans	-65.8	-44.2	173.8	72.8	0	0	0	0	110.7	F108 L109 K114 L115 F116	F108-S112 VanDerWaalsContact O-CB 3.25Å; F108-S112 WeakPolarHBondContact O-CB 3.05Å; F108-S112 PolarHBondContact O-N 3.43Å; F108-S112 PolarHBondContact O-OG 3.22Å; L109-S112 VanDerWaalsContact CA-OG 3.3Å; L109-S112 WeakPolarHBondContact CA-OG 3.38Å; L109-S112 PolarHBondContact O-OG 3.16Å; L109-S112 VanDerWaalsContact O-OG 3.13Å; S112-K114 VanDerWaalsContact C-N 3.32Å; S112-K114 PolarHBondContact O-N 2.89Å; S112-L115 PolarHBondContact O-N 3.49Å; S112-L115 VanDerWaalsContact O-N 3.17Å; S112-F116 VanDerWaalsContact O-CB 3.27Å; S112-F116 WeakPolarHBondContact O-CB 3.35Å; S112-F116 WeakPolarHBondContact O-CD2 3.5Å; S112-F116 PolarHBondContact O-N 2.87Å
113	S	34.8	Very low	38.2	Very low	59 Å²	59	116.5 Å²	116.5	41%	0.413	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-32	176.1	60.5	0	0	0	0	113.3	L109 E110 L117	L109-S113 WeakPolarHBondContact O-CB 3.36Å; L109-S113 PolarHBondContact O-N 2.85Å; L109-S113 PolarHBondContact O-OG 2.79Å; E110-S113 VanDerWaalsContact CA-OG 3.31Å; E110-S113 WeakPolarHBondContact CA-OG 3.37Å; E110-S113 PolarHBondContact O-OG 3.02Å; E110-S113 VanDerWaalsContact O-OG 3.09Å; S113-L117 WeakPolarHBondContact O-CD1 3.31Å; S113-L117 VanDerWaalsContact O-CG 3.31Å; S113-L117 WeakPolarHBondContact O-CG 3.28Å; S113-L117 PolarHBondContact O-N 3.31Å
114	K	38.8	Very low	38	Very low	160 Å²	160	116.5 Å²	116.5	70%	0.696	58%	0.578	S	S	*	*	H	α-helix	trans	-75.4	-29.4	172.4	-76.3	174.3	-178.7	173.2	0	113.8	E110 I111 S112	E110-K114 VanDerWaalsContact O-CB 3.31Å; E110-K114 WeakPolarHBondContact O-CB 3.2Å; E110-K114 VanDerWaalsContact O-CG 3.24Å; E110-K114 WeakPolarHBondContact O-CG 3.47Å; E110-K114 PolarHBondContact O-N 2.74Å; I111-K114 PolarHBondContact O-N 3.48Å; S112-K114 VanDerWaalsContact C-N 3.32Å; S112-K114 PolarHBondContact O-N 2.89Å
115	L	36.7	Very low	37.9	Very low	126 Å²	126	118 Å²	118	66%	0.66	59%	0.585	S	S	*	*	H	α-helix	trans	-81.7	-28.3	175	-88.2	154.2	0	0	0	112.9	I111 S112	I111-L115 HydrophobicContact CG2-CD1 3.72Å; I111-L115 WeakPolarHBondContact O-CB 3.38Å; I111-L115 PolarHBondContact O-N 3.15Å; S112-L115 PolarHBondContact O-N 3.49Å; S112-L115 VanDerWaalsContact O-N 3.17Å
116	F	38.3	Very low	38	Very low	128 Å²	128	123.8 Å²	123.8	56%	0.561	60%	0.604	S	S	*	*	S	Bend	trans	-97.4	10.8	-177.7	-72.5	-67.2	0	0	0	114.7	S112 Q118 L120	S112-F116 VanDerWaalsContact O-CB 3.27Å; S112-F116 WeakPolarHBondContact O-CB 3.35Å; S112-F116 WeakPolarHBondContact O-CD2 3.5Å; S112-F116 PolarHBondContact O-N 2.87Å; F116-Q118 VanDerWaalsContact C-N 3.26Å; F116-Q118 PolarHBondContact O-N 2.73Å; F116-L120 HydrophobicContact CD1-CD1 4.45Å; F116-L120 HydrophobicContact CD1-CD2 4.14Å; F116-L120 HydrophobicContact CE1-CD2 4.43Å
117	L	34.6	Very low	38	Very low	151 Å²	151	119.6 Å²	119.6	79%	0.791	60%	0.597	S	S	*	*			trans	-85.7	11.3	170.5	-89.4	164	0	0	0	113.8	S113	S113-L117 WeakPolarHBondContact O-CD1 3.31Å; S113-L117 VanDerWaalsContact O-CG 3.31Å; S113-L117 WeakPolarHBondContact O-CG 3.28Å; S113-L117 PolarHBondContact O-N 3.31Å
118	Q	33.3	Very low	37.9	Very low	167 Å²	167	119.8 Å²	119.8	78%	0.78	61%	0.612	S	S	*	*	S	Bend	trans	-93.3	136.9	162.5	-107.2	173.5	-15.9	0	0	109.6	F116 L120	F116-Q118 VanDerWaalsContact C-N 3.26Å; F116-Q118 PolarHBondContact O-N 2.73Å; Q118-L120 PolarHBondContact O-N 2.85Å
119	S	33.4	Very low	38.4	Very low	100 Å²	100	114 Å²	114	70%	0.699	59%	0.592	S	S	*	*			trans	-46.5	109.8	-179.8	56.3	0	0	0	0	110.1	D121	S119-D121 PolarHBondContact O-N 3.19Å
120	L	37.1	Very low	39.2	Very low	77 Å²	77	112.1 Å²	112.1	40%	0.403	58%	0.582	S	S	.	*			trans	-71.6	71	172.3	-77.4	166.6	0	0	0	108.5	F116 Q118 F124 K141	F116-L120 HydrophobicContact CD1-CD1 4.45Å; F116-L120 HydrophobicContact CD1-CD2 4.14Å; F116-L120 HydrophobicContact CE1-CD2 4.43Å; Q118-L120 PolarHBondContact O-N 2.85Å; L120-F124 HydrophobicContact CD2-CE2 3.98Å; L120-K141 HydrophobicContact CD1-CD 4.43Å; L120-K141 PolarHBondContact O-NZ 3.18Å
121	D	36	Very low	40	Very low	113 Å²	113	112.8 Å²	112.8	60%	0.604	60%	0.595	S	S	*	*			trans	-90.4	124.6	168.4	-108.3	-12.7	0	0	0	108.9	S119 H123	S119-D121 PolarHBondContact O-N 3.19Å; D121-H123 VanDerWaalsContact C-N 3.25Å; D121-H123 PolarHBondContact O-N 3.43Å
122	E	36.8	Very low	41	Very low	179 Å²	179	113.5 Å²	113.5	84%	0.836	60%	0.596	S	S	*	*	S	Bend	trans	53.4	-6.8	153.8	-63.4	-172.3	153.8	0	0	121.5	F124	E122-F124 PolarHBondContact O-N 3.48Å
123	H	35.4	Very low	42.5	Very low	155 Å²	155	115.7 Å²	115.7	72%	0.718	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-94.3	17.8	-171.4	-85.1	74.5	0	0	0	117	D121 S125	D121-H123 VanDerWaalsContact C-N 3.25Å; D121-H123 PolarHBondContact O-N 3.43Å; H123-S125 PolarHBondContact O-N 2.86Å
124	F	39.8	Very low	44.2	Very low	102 Å²	102	114.5 Å²	114.5	45%	0.447	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-76.6	6.9	173.1	-88.9	-75.4	0	0	0	114.4	L120 E122 H126 V127	L120-F124 HydrophobicContact CD2-CE2 3.98Å; E122-F124 PolarHBondContact O-N 3.48Å; F124-H126 PolarHBondContact O-N 3.34Å; F124-H126 VanDerWaalsContact O-N 3.12Å; F124-V127 HydrophobicContact CD1-CG2 3.86Å; F124-V127 HydrophobicContact CE1-CG2 4.18Å
125	S	41.2	Very low	46	Very low	88 Å²	88	108.9 Å²	108.9	62%	0.615	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-67.1	-6.4	177.4	58.1	0	0	0	0	115.1	H123	H123-S125 PolarHBondContact O-N 2.86Å
126	H	40.4	Very low	48.3	Very low	164 Å²	164	103 Å²	103	76%	0.759	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-125.3	13.2	-172	-68.7	-61.2	0	0	0	115.4	F124	F124-H126 PolarHBondContact O-N 3.34Å; F124-H126 VanDerWaalsContact O-N 3.12Å
127	V	40.5	Very low	50.5	Low	84 Å²	84	103.1 Å²	103.1	51%	0.509	54%	0.542	S	S	.	.			trans	-93.7	124.3	169.4	-175.7	0	0	0	0	107.8	F124 A129	F124-V127 HydrophobicContact CD1-CG2 3.86Å; F124-V127 HydrophobicContact CE1-CG2 4.18Å; V127-A129 HydrophobicContact CG1-CB 4Å; V127-A129 PolarHBondContact O-N 3.43Å
128	D	40.3	Very low	52.9	Low	180 Å²	180	99.7 Å²	99.7	96%	0.963	52%	0.524	S	S	*	.			trans	-67	49	170.9	-72.1	-34	0	0	0	111.4
129	A	50.7	Low	55.6	Low	31 Å²	31	92.3 Å²	92.3	26%	0.256	49%	0.49	S	S	.	.			trans	-93.4	142.7	170.1	0	0	0	0	0	108.2	V127 V134	V127-A129 HydrophobicContact CG1-CB 4Å; V127-A129 PolarHBondContact O-N 3.43Å; A129-V134 HydrophobicContact CB-CG2 3.68Å
130	D	56.6	Low	58.3	Low	75 Å²	75	87.8 Å²	87.8	40%	0.401	46%	0.458	S	S	.	.			trans	-52.2	130.2	172.5	-173.3	-36.4	0	0	0	108.4	H132 E133 V134	D130-H132 PolarHBondContact O-N 3.1Å; D130-H132 IonicContact OD1-CE1 3.88Å; D130-H132 IonicContact OD1-CG 3.53Å; D130-H132 PolarHBondContact OD1-N 3.4Å; D130-H132 IonicContact OD1-ND1 2.77Å; D130-H132 PolarHBondContact OD1-ND1 2.75Å; D130-E133 HydrophobicContact CB-CG 4.22Å; D130-E133 WeakPolarHBondContact O-CB 3.44Å; D130-E133 PolarHBondContact O-N 3.14Å; D130-V134 PolarHBondContact O-N 3.09Å
131	P	58.7	Low	60.8	Low	102 Å²	102	88.5 Å²	88.5	66%	0.662	46%	0.458	S	S	*	.	H	α-helix	trans	-46.2	-31.5	177.9	-30.9	34.9	0	0	0	114.2	A135	P131-A135 PolarHBondContact O-N 2.8Å; P131-A135 VanDerWaalsContact O-N 3.11Å
132	H	61.6	Low	63.5	Low	113 Å²	113	86.8 Å²	86.8	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-72.4	-31.6	178.3	-57.4	86.1	0	0	0	113.3	D130 L136 Q168	D130-H132 PolarHBondContact O-N 3.1Å; D130-H132 IonicContact OD1-CE1 3.88Å; D130-H132 IonicContact OD1-CG 3.53Å; D130-H132 PolarHBondContact OD1-N 3.4Å; D130-H132 IonicContact OD1-ND1 2.77Å; D130-H132 PolarHBondContact OD1-ND1 2.75Å; H132-L136 PolarHBondContact O-N 3.44Å; H132-Q168 PolarHBondContact O-NE2 2.76Å
133	E	66.4	Low	66.1	Low	76 Å²	76	78.4 Å²	78.4	36%	0.355	40%	0.404	S	S	.	.	H	α-helix	trans	-71	-42.9	173.8	-69.9	-173.7	165.4	0	0	110.9	D130 A135 L136 W137	D130-E133 HydrophobicContact CB-CG 4.22Å; D130-E133 WeakPolarHBondContact O-CB 3.44Å; D130-E133 PolarHBondContact O-N 3.14Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.31Å; E133-L136 PolarHBondContact O-N 3.21Å; E133-W137 PolarHBondContact O-N 2.93Å; E133-W137 VanDerWaalsContact O-N 3.09Å
134	V	70.9	Confident	68.9	Low	33 Å²	33	76.5 Å²	76.5	20%	0.2	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-42.1	177.4	-179.3	0	0	0	0	110.4	A129 D130 L136 W137 L138	A129-V134 HydrophobicContact CB-CG2 3.68Å; D130-V134 PolarHBondContact O-N 3.09Å; V134-L136 PolarHBondContact O-N 3.19Å; V134-W137 PolarHBondContact O-N 2.73Å; V134-L138 HydrophobicContact CG1-CD1 3.84Å; V134-L138 HydrophobicContact CG1-CG 4.24Å; V134-L138 WeakPolarHBondContact O-CB 3.32Å; V134-L138 WeakPolarHBondContact O-CG 3.22Å; V134-L138 PolarHBondContact O-N 2.74Å
135	A	78.3	Confident	71.4	Confident	42 Å²	42	72.8 Å²	72.8	35%	0.347	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-46.6	176.7	0	0	0	0	0	112.5	P131 E133 L138 L139	P131-A135 PolarHBondContact O-N 2.8Å; P131-A135 VanDerWaalsContact O-N 3.11Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.31Å; A135-L138 PolarHBondContact O-N 2.99Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 3.05Å
136	L	83.5	Confident	73.8	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-50.4	177.6	177.1	62.4	0	0	0	111.6	H132 E133 V134 L138 L139 L140 L158 W164 Q168 T171 A172	H132-L136 PolarHBondContact O-N 3.44Å; E133-L136 PolarHBondContact O-N 3.21Å; V134-L136 PolarHBondContact O-N 3.19Å; L136-L138 VanDerWaalsContact C-N 3.32Å; L136-L138 PolarHBondContact O-N 3.32Å; L136-L139 PolarHBondContact O-N 3.2Å; L136-L140 HydrophobicContact CD1-CD1 4.09Å; L136-L140 HydrophobicContact CD1-CG 4.13Å; L136-L140 HydrophobicContact CG-CD1 3.93Å; L136-L140 HydrophobicContact CG-CG 4.37Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.15Å; L136-L158 HydrophobicContact CD1-CD1 3.8Å; L136-W164 HydrophobicContact CB-CH2 4.11Å; L136-W164 HydrophobicContact CB-CZ3 3.8Å; L136-W164 HydrophobicContact CD1-CH2 4.24Å; L136-W164 HydrophobicContact CD1-CZ3 4.29Å; L136-Q168 HydrophobicContact CD2-CB 3.98Å; L136-Q168 HydrophobicContact CD2-CG 4.39Å; L136-T171 HydrophobicContact CD2-CG2 4.27Å; L136-A172 HydrophobicContact CD1-CB 4.2Å
137	W	84.2	Confident	76.4	Confident	129 Å²	129	73.8 Å²	73.8	49%	0.489	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-35.4	-178.5	-74.8	111.6	0	0	0	112.8	E133 V134 L140 K141 T171 V175	E133-W137 PolarHBondContact O-N 2.93Å; E133-W137 VanDerWaalsContact O-N 3.09Å; V134-W137 PolarHBondContact O-N 2.73Å; W137-L140 HydrophobicContact CE3-CD1 4.16Å; W137-L140 HydrophobicContact CZ3-CD1 4.39Å; W137-K141 VanDerWaalsContact O-CB 3.28Å; W137-K141 WeakPolarHBondContact O-CB 3.44Å; W137-K141 PolarHBondContact O-N 3.44Å; W137-T171 HydrophobicContact CH2-CG2 4.34Å; W137-T171 HydrophobicContact CZ2-CG2 3.87Å; W137-V175 HydrophobicContact CH2-CG2 3.82Å; W137-V175 HydrophobicContact CZ3-CG1 4Å; W137-V175 HydrophobicContact CZ3-CG2 4.05Å
138	L	86.4	Confident	78.8	Confident	80 Å²	80	74.1 Å²	74.1	42%	0.419	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-43.9	172.9	-74.7	172.6	0	0	0	111.6	V134 A135 L136 K141 R142	V134-L138 HydrophobicContact CG1-CD1 3.84Å; V134-L138 HydrophobicContact CG1-CG 4.24Å; V134-L138 WeakPolarHBondContact O-CB 3.32Å; V134-L138 WeakPolarHBondContact O-CG 3.22Å; V134-L138 PolarHBondContact O-N 2.74Å; A135-L138 PolarHBondContact O-N 2.99Å; L136-L138 VanDerWaalsContact C-N 3.32Å; L136-L138 PolarHBondContact O-N 3.32Å; L138-K141 PolarHBondContact O-N 2.93Å; L138-R142 VanDerWaalsContact O-CG 3.31Å; L138-R142 WeakPolarHBondContact O-CG 3.34Å; L138-R142 PolarHBondContact O-N 2.88Å
139	L	88.9	Confident	81.3	Confident	12 Å²	12	69.1 Å²	69.1	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-49.3	175.8	-72.6	174.6	0	0	0	111.5	A135 L136 K141 R142 T143 E157 L158 W164	A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 3.05Å; L136-L139 PolarHBondContact O-N 3.2Å; L139-K141 VanDerWaalsContact C-N 3.25Å; L139-K141 PolarHBondContact O-N 2.97Å; L139-R142 CarbonylContact O-C 3.57Å; L139-R142 WeakPolarHBondContact O-CA 3.39Å; L139-R142 WeakPolarHBondContact O-CB 3.29Å; L139-R142 PolarHBondContact O-N 3.4Å; L139-T143 WeakPolarHBondContact O-CG2 3.2Å; L139-T143 PolarHBondContact O-N 2.88Å; L139-E157 HydrophobicContact CD2-CB 3.89Å; L139-E157 VanDerWaalsContact CD2-OE2 3.26Å; L139-E157 WeakPolarHBondContact CD2-OE2 3.31Å; L139-L158 HydrophobicContact CB-CD1 4.45Å; L139-L158 HydrophobicContact CD1-CD1 4.34Å; L139-W164 HydrophobicContact CD1-CH2 3.94Å; L139-W164 HydrophobicContact CD1-CZ2 3.79Å
140	L	89.9	Confident	83.3	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-36.9	177	-69.2	174.2	0	0	0	112.3	L136 W137 T143 L158 A172 V175 I176	L136-L140 HydrophobicContact CD1-CD1 4.09Å; L136-L140 HydrophobicContact CD1-CG 4.13Å; L136-L140 HydrophobicContact CG-CD1 3.93Å; L136-L140 HydrophobicContact CG-CG 4.37Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.15Å; W137-L140 HydrophobicContact CE3-CD1 4.16Å; W137-L140 HydrophobicContact CZ3-CD1 4.39Å; L140-T143 PolarHBondContact O-N 3.01Å; L140-T143 PolarHBondContact O-OG1 3.36Å; L140-L158 HydrophobicContact CD2-CD2 4.19Å; L140-A172 HydrophobicContact CD2-CB 4.35Å; L140-V175 HydrophobicContact CD1-CB 4.3Å; L140-V175 HydrophobicContact CD1-CG1 4.2Å; L140-I176 HydrophobicContact CD2-CG2 3.68Å
141	K	89.7	Confident	85.1	Confident	92 Å²	92	67.8 Å²	67.8	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-68.9	-38.5	173.7	-174.4	-178.6	170.9	-156	0	111.7	L120 W137 L138 L139 T143 Q144	L120-K141 HydrophobicContact CD1-CD 4.43Å; L120-K141 PolarHBondContact O-NZ 3.18Å; W137-K141 VanDerWaalsContact O-CB 3.28Å; W137-K141 WeakPolarHBondContact O-CB 3.44Å; W137-K141 PolarHBondContact O-N 3.44Å; L138-K141 PolarHBondContact O-N 2.93Å; L139-K141 VanDerWaalsContact C-N 3.25Å; L139-K141 PolarHBondContact O-N 2.97Å; K141-T143 VanDerWaalsContact C-N 3.34Å; K141-Q144 PolarHBondContact O-N 3.17Å; K141-Q144 VanDerWaalsContact O-N 3.16Å
142	R	92.6	Very high	86.6	Confident	77 Å²	77	65.3 Å²	65.3	29%	0.291	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-33.1	175.7	-74.2	171.6	61.8	-163.2	-3.8	112.2	L138 L139 Q144 S145 V150 A154 E157	L138-R142 VanDerWaalsContact O-CG 3.31Å; L138-R142 WeakPolarHBondContact O-CG 3.34Å; L138-R142 PolarHBondContact O-N 2.88Å; L139-R142 CarbonylContact O-C 3.57Å; L139-R142 WeakPolarHBondContact O-CA 3.39Å; L139-R142 WeakPolarHBondContact O-CB 3.29Å; L139-R142 PolarHBondContact O-N 3.4Å; R142-Q144 PolarHBondContact O-N 3.45Å; R142-S145 WeakPolarHBondContact O-CB 3.34Å; R142-S145 PolarHBondContact O-N 3.43Å; R142-V150 HydrophobicContact CB-CG1 4.22Å; R142-V150 HydrophobicContact CG-CG1 4.38Å; R142-A154 HydrophobicContact CB-CB 3.55Å; R142-E157 IonicContact CZ-OE1 3.63Å; R142-E157 IonicContact CZ-OE2 3.35Å; R142-E157 IonicContact NH1-OE1 3.55Å; R142-E157 IonicContact NH1-OE2 2.66Å; R142-E157 PolarHBondContact NH1-OE2 3.46Å; R142-E157 IonicContact NH2-OE1 2.8Å; R142-E157 PolarHBondContact NH2-OE1 2.9Å; R142-E157 IonicContact NH2-OE2 3.3Å; R142-E157 PolarHBondContact NH2-OE2 3.09Å
143	T	92.8	Very high	88.1	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.025	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-17.5	173.8	73.8	0	0	0	0	112.7	L139 L140 K141 R151 A154 V155 T180	L139-T143 WeakPolarHBondContact O-CG2 3.2Å; L139-T143 PolarHBondContact O-N 2.88Å; L140-T143 PolarHBondContact O-N 3.01Å; L140-T143 PolarHBondContact O-OG1 3.36Å; K141-T143 VanDerWaalsContact C-N 3.34Å; T143-R151 WeakPolarHBondContact O-CD 3.49Å; T143-R151 WeakPolarHBondContact O-CG 3.04Å; T143-A154 HydrophobicContact CG2-CB 3.83Å; T143-V155 HydrophobicContact CG2-CG2 4.01Å; T143-T180 VanDerWaalsContact CB-OG1 3.28Å; T143-T180 WeakPolarHBondContact CB-OG1 3.32Å; T143-T180 HydrophobicContact CG2-CG2 3.99Å; T143-T180 PolarHBondContact OG1-OG1 2.97Å; T143-T180 VanDerWaalsContact OG1-OG1 3.07Å
144	Q	92.5	Very high	89.3	Confident	114 Å²	114	61 Å²	61	53%	0.533	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.9	175.2	-60.2	179.8	8.1	0	0	113.8	K141 R142	K141-Q144 PolarHBondContact O-N 3.17Å; K141-Q144 VanDerWaalsContact O-N 3.16Å; R142-Q144 PolarHBondContact O-N 3.45Å
145	S	93.9	Very high	90.4	Very high	24 Å²	24	59.5 Å²	59.5	17%	0.168	30%	0.303	C	S	.	.			trans	-57	145.7	-179.6	177.9	0	0	0	0	112.5	R142 K147 R151	R142-S145 WeakPolarHBondContact O-CB 3.34Å; R142-S145 PolarHBondContact O-N 3.43Å; S145-K147 PolarHBondContact O-N 3.27Å; S145-K147 PolarHBondContact OG-N 3.24Å; S145-R151 WeakPolarHBondContact O-CD 3.24Å; S145-R151 WeakPolarHBondContact O-CG 3.09Å; S145-R151 PolarHBondContact O-NH1 3.12Å
146	P	92.1	Very high	91	Very high	125 Å²	125	60.2 Å²	60.2	81%	0.812	30%	0.299	S	S	*	.	S	Bend	trans	-64	-25.1	173.5	26.1	-34.9	0	0	0	112.8	R151	P146-R151 VanDerWaalsContact C-NH1 3.26Å; P146-R151 PolarHBondContact O-NH1 3.02Å
147	K	93.8	Very high	91.4	Very high	148 Å²	148	62.3 Å²	62.3	64%	0.643	31%	0.309	S	S	*	.	S	Bend	trans	-83.3	118.3	-179.2	-65.3	-178.4	-179.5	178.2	0	110.9	S145 A149 V150 R151	S145-K147 PolarHBondContact O-N 3.27Å; S145-K147 PolarHBondContact OG-N 3.24Å; K147-A149 PolarHBondContact O-N 3.3Å; K147-V150 HydrophobicContact CB-CB 4.19Å; K147-V150 HydrophobicContact CB-CG2 3.81Å; K147-V150 HydrophobicContact CD-CG2 4.21Å; K147-V150 PolarHBondContact O-N 3.04Å; K147-V150 VanDerWaalsContact O-N 3.17Å; K147-R151 PolarHBondContact O-N 3.3Å
148	K	91.8	Very high	91.7	Very high	91 Å²	91	56.2 Å²	56.2	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-52.3	-48.1	178.8	-178.8	-178.3	171.4	176.1	0	113	V150 R151 L152 E372	K148-V150 VanDerWaalsContact C-N 3.3Å; K148-V150 PolarHBondContact O-N 3.46Å; K148-R151 PolarHBondContact O-N 3.09Å; K148-R151 VanDerWaalsContact O-N 3.15Å; K148-L152 HydrophobicContact CG-CD1 4.14Å; K148-L152 HydrophobicContact CG-CG 4.32Å; K148-L152 WeakPolarHBondContact O-CG 3.25Å; K148-L152 PolarHBondContact O-N 3.13Å; K148-E372 WeakPolarHBondContact CE-O 3.34Å; K148-E372 HydrophobicContact CG-CG 4.36Å; K148-E372 PolarHBondContact NZ-O 2.9Å
149	A	91.6	Very high	91.9	Very high	75 Å²	75	53.2 Å²	53.2	62%	0.62	27%	0.273	S	S	*	.	H	α-helix	trans	-58	-42.3	-179	0	0	0	0	0	112.5	K147 R151 L152 Q153	K147-A149 PolarHBondContact O-N 3.3Å; A149-R151 VanDerWaalsContact C-N 3.34Å; A149-R151 PolarHBondContact O-N 3.17Å; A149-L152 PolarHBondContact O-N 3.09Å; A149-Q153 WeakPolarHBondContact O-CB 3.45Å; A149-Q153 PolarHBondContact O-N 2.88Å
150	V	93.5	Very high	91.8	Very high	41 Å²	41	58.4 Å²	58.4	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-39.4	178.7	179	0	0	0	0	111.2	R142 K147 K148 A154	R142-V150 HydrophobicContact CB-CG1 4.22Å; R142-V150 HydrophobicContact CG-CG1 4.38Å; K147-V150 HydrophobicContact CB-CB 4.19Å; K147-V150 HydrophobicContact CB-CG2 3.81Å; K147-V150 HydrophobicContact CD-CG2 4.21Å; K147-V150 PolarHBondContact O-N 3.04Å; K147-V150 VanDerWaalsContact O-N 3.17Å; K148-V150 VanDerWaalsContact C-N 3.3Å; K148-V150 PolarHBondContact O-N 3.46Å; V150-A154 VanDerWaalsContact O-CB 3.26Å; V150-A154 WeakPolarHBondContact O-CB 3.3Å; V150-A154 PolarHBondContact O-N 3.14Å
151	R	93.2	Very high	91.3	Very high	37 Å²	37	61.7 Å²	61.7	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-48.5	177.8	-64.5	-165.4	-61.4	-86.8	-0.6	111.9	T143 S145 P146 K147 K148 A149 Q153 A154 V155 E372	T143-R151 WeakPolarHBondContact O-CD 3.49Å; T143-R151 WeakPolarHBondContact O-CG 3.04Å; S145-R151 WeakPolarHBondContact O-CD 3.24Å; S145-R151 WeakPolarHBondContact O-CG 3.09Å; S145-R151 PolarHBondContact O-NH1 3.12Å; P146-R151 VanDerWaalsContact C-NH1 3.26Å; P146-R151 PolarHBondContact O-NH1 3.02Å; K147-R151 PolarHBondContact O-N 3.3Å; K148-R151 PolarHBondContact O-N 3.09Å; K148-R151 VanDerWaalsContact O-N 3.15Å; A149-R151 VanDerWaalsContact C-N 3.34Å; A149-R151 PolarHBondContact O-N 3.17Å; R151-Q153 VanDerWaalsContact C-N 3.35Å; R151-Q153 PolarHBondContact O-N 3.22Å; R151-A154 PolarHBondContact O-N 3.49Å; R151-V155 WeakPolarHBondContact O-CG2 3.28Å; R151-V155 PolarHBondContact O-N 3.46Å; R151-E372 IonicContact CZ-OE1 3.58Å; R151-E372 IonicContact NE-OE1 2.79Å; R151-E372 PolarHBondContact NE-OE1 3.21Å; R151-E372 IonicContact NH2-OE1 3.52Å; R151-E372 PolarHBondContact NH2-OE1 3.42Å
152	L	91.6	Very high	90	Very high	50 Å²	50	61.3 Å²	61.3	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-47.3	179.5	-67.8	-177.9	0	0	0	111.3	K148 A149 A154 V155 Q156 E372 R390	K148-L152 HydrophobicContact CG-CD1 4.14Å; K148-L152 HydrophobicContact CG-CG 4.32Å; K148-L152 WeakPolarHBondContact O-CG 3.25Å; K148-L152 PolarHBondContact O-N 3.13Å; A149-L152 PolarHBondContact O-N 3.09Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 2.82Å; L152-Q156 PolarHBondContact O-N 3.18Å; L152-Q156 VanDerWaalsContact O-N 3.08Å; L152-E372 HydrophobicContact CD2-CG 4.15Å; L152-R390 VanDerWaalsContact CD2-NH1 3.26Å
153	Q	91.8	Very high	89.2	Confident	98 Å²	98	65.7 Å²	65.7	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-42.6	176.3	-170.7	-171.2	-8.1	0	0	111.8	A149 R151 V155 Q156 E157	A149-Q153 WeakPolarHBondContact O-CB 3.45Å; A149-Q153 PolarHBondContact O-N 2.88Å; R151-Q153 VanDerWaalsContact C-N 3.35Å; R151-Q153 PolarHBondContact O-N 3.22Å; Q153-V155 PolarHBondContact O-N 3.15Å; Q153-Q156 PolarHBondContact O-N 2.7Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.33Å; Q153-E157 PolarHBondContact NE2-OE1 3.4Å; Q153-E157 WeakPolarHBondContact O-CG 3.4Å; Q153-E157 PolarHBondContact O-N 3.37Å
154	A	92.5	Very high	88.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-36.3	178.7	0	0	0	0	0	113.1	R142 T143 V150 R151 L152 Q156 L158	R142-A154 HydrophobicContact CB-CB 3.55Å; T143-A154 HydrophobicContact CG2-CB 3.83Å; V150-A154 VanDerWaalsContact O-CB 3.26Å; V150-A154 WeakPolarHBondContact O-CB 3.3Å; V150-A154 PolarHBondContact O-N 3.14Å; R151-A154 PolarHBondContact O-N 3.49Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.24Å; A154-Q156 VanDerWaalsContact C-N 3.34Å; A154-L158 VanDerWaalsContact O-CB 3.25Å; A154-L158 WeakPolarHBondContact O-CB 3.39Å; A154-L158 PolarHBondContact O-N 3.07Å
155	V	93.8	Very high	88.3	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-41.3	174.1	170.6	0	0	0	0	110.9	T143 R151 L152 Q153 L158 A159 T180 L184	T143-V155 HydrophobicContact CG2-CG2 4.01Å; R151-V155 WeakPolarHBondContact O-CG2 3.28Å; R151-V155 PolarHBondContact O-N 3.46Å; L152-V155 PolarHBondContact O-N 2.82Å; Q153-V155 PolarHBondContact O-N 3.15Å; V155-L158 PolarHBondContact O-N 2.54Å; V155-A159 PolarHBondContact O-N 3.11Å; V155-A159 VanDerWaalsContact O-N 3.15Å; V155-T180 HydrophobicContact CG2-CG2 4.21Å; V155-L184 HydrophobicContact CG1-CD2 4.05Å; V155-L184 HydrophobicContact CG1-CG 4.17Å
156	Q	91.7	Very high	87.9	Confident	57 Å²	57	69.6 Å²	69.6	27%	0.266	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-50.4	176.3	-179.2	172.2	6.1	0	0	111.4	L152 Q153 A154 L158 A159 E160 D392	L152-Q156 PolarHBondContact O-N 3.18Å; L152-Q156 VanDerWaalsContact O-N 3.08Å; Q153-Q156 PolarHBondContact O-N 2.7Å; A154-Q156 VanDerWaalsContact C-N 3.34Å; Q156-L158 VanDerWaalsContact C-N 3.27Å; Q156-L158 PolarHBondContact O-N 3.27Å; Q156-A159 PolarHBondContact O-N 2.79Å; Q156-A159 VanDerWaalsContact O-N 3.09Å; Q156-E160 HydrophobicContact CG-CG 4.24Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.3Å; Q156-E160 PolarHBondContact NE2-OE1 3.25Å; Q156-E160 WeakPolarHBondContact O-CB 3.29Å; Q156-E160 WeakPolarHBondContact O-CG 3.35Å; Q156-E160 PolarHBondContact O-N 3.16Å; Q156-D392 PolarHBondContact OE1-OD1 2.91Å
157	E	90.8	Very high	87.4	Confident	49 Å²	49	65.9 Å²	65.9	23%	0.229	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-38.4	175.7	-72.4	174.4	-150.2	0	0	111.8	L139 R142 Q153 A159 N161	L139-E157 HydrophobicContact CD2-CB 3.89Å; L139-E157 VanDerWaalsContact CD2-OE2 3.26Å; L139-E157 WeakPolarHBondContact CD2-OE2 3.31Å; R142-E157 IonicContact CZ-OE1 3.63Å; R142-E157 IonicContact CZ-OE2 3.35Å; R142-E157 IonicContact NH1-OE1 3.55Å; R142-E157 IonicContact NH1-OE2 2.66Å; R142-E157 PolarHBondContact NH1-OE2 3.46Å; R142-E157 IonicContact NH2-OE1 2.8Å; R142-E157 PolarHBondContact NH2-OE1 2.9Å; R142-E157 IonicContact NH2-OE2 3.3Å; R142-E157 PolarHBondContact NH2-OE2 3.09Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.33Å; Q153-E157 PolarHBondContact NE2-OE1 3.4Å; Q153-E157 WeakPolarHBondContact O-CG 3.4Å; Q153-E157 PolarHBondContact O-N 3.37Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-A159 PolarHBondContact O-N 3.13Å; E157-N161 PolarHBondContact O-N 2.82Å; E157-N161 PolarHBondContact O-ND2 3.1Å
158	L	90.8	Very high	86.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-39.6	177.3	-174.3	63.3	0	0	0	112	L136 L139 L140 A154 V155 Q156 W164 T180 L184 F194	L136-L158 HydrophobicContact CD1-CD1 3.8Å; L139-L158 HydrophobicContact CB-CD1 4.45Å; L139-L158 HydrophobicContact CD1-CD1 4.34Å; L140-L158 HydrophobicContact CD2-CD2 4.19Å; A154-L158 VanDerWaalsContact O-CB 3.25Å; A154-L158 WeakPolarHBondContact O-CB 3.39Å; A154-L158 PolarHBondContact O-N 3.07Å; V155-L158 PolarHBondContact O-N 2.54Å; Q156-L158 VanDerWaalsContact C-N 3.27Å; Q156-L158 PolarHBondContact O-N 3.27Å; L158-W164 HydrophobicContact CD1-CZ2 4.01Å; L158-W164 PolarHBondContact O-NE1 2.86Å; L158-W164 VanDerWaalsContact O-NE1 3.09Å; L158-T180 HydrophobicContact CD2-CG2 4.46Å; L158-L184 HydrophobicContact CB-CD2 4.36Å; L158-L184 HydrophobicContact CD2-CD1 4Å; L158-L184 HydrophobicContact CD2-CD2 4.11Å; L158-L184 HydrophobicContact CG-CD2 4.28Å; L158-F194 HydrophobicContact CD1-CE1 3.99Å; L158-F194 HydrophobicContact CD1-CZ 4.18Å; L158-F194 HydrophobicContact CD2-CE1 4.25Å; L158-F194 HydrophobicContact CG-CE1 3.88Å; L158-F194 HydrophobicContact CG-CZ 3.94Å; L158-F194 WeakPolarHBondContact O-CZ 3.4Å
159	A	90.5	Very high	86.8	Confident	18 Å²	18	55 Å²	55	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-80	-35.7	-179.1	0	0	0	0	0	113.9	V155 Q156 E157 N161 L184 T187	V155-A159 PolarHBondContact O-N 3.11Å; V155-A159 VanDerWaalsContact O-N 3.15Å; Q156-A159 PolarHBondContact O-N 2.79Å; Q156-A159 VanDerWaalsContact O-N 3.09Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-A159 PolarHBondContact O-N 3.13Å; A159-N161 VanDerWaalsContact C-N 3.34Å; A159-L184 HydrophobicContact CB-CD2 3.95Å; A159-T187 HydrophobicContact CB-CG2 3.57Å
160	E	87	Confident	86.4	Confident	121 Å²	121	55.8 Å²	55.8	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-73.4	-25.6	-179.8	-73.3	175.6	179.9	0	0	112.7	Q156 S162	Q156-E160 HydrophobicContact CG-CG 4.24Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.3Å; Q156-E160 PolarHBondContact NE2-OE1 3.25Å; Q156-E160 WeakPolarHBondContact O-CB 3.29Å; Q156-E160 WeakPolarHBondContact O-CG 3.35Å; Q156-E160 PolarHBondContact O-N 3.16Å; E160-S162 PolarHBondContact O-N 3.43Å
161	N	78.9	Confident	86	Confident	72 Å²	72	55.7 Å²	55.7	39%	0.385	28%	0.277	S	S	.	.			trans	-65.9	106.8	175	-84.1	-50.5	0	0	0	110.5	E157 A159 W164	E157-N161 PolarHBondContact O-N 2.82Å; E157-N161 PolarHBondContact O-ND2 3.1Å; A159-N161 VanDerWaalsContact C-N 3.34Å; N161-W164 HydrophobicContact CB-CZ2 3.63Å; N161-W164 VanDerWaalsContact CB-NE1 3.29Å; N161-W164 PolarHBondContact O-NE1 3.36Å; N161-W164 VanDerWaalsContact O-NE1 3.17Å
162	S	63.9	Low	85.9	Confident	85 Å²	85	54 Å²	54	59%	0.594	27%	0.271	S	S	*	.			trans	-93	3.1	-174.2	54.6	0	0	0	0	114.6	E160	E160-S162 PolarHBondContact O-N 3.43Å
163	H	74	Confident	85.8	Confident	168 Å²	168	52.1 Å²	52.1	78%	0.778	26%	0.263	S	S	*	.			trans	-113	22.9	-173.4	-61.5	-57.7	0	0	0	114.1
164	W	82.6	Confident	85.5	Confident	23 Å²	23	53.2 Å²	53.2	9%	0.087	27%	0.268	C	S	.	.			trans	-71.9	140.1	173.6	-57.4	116.3	0	0	0	111	L136 L139 L158 N161 Q168 Y169 F194	L136-W164 HydrophobicContact CB-CH2 4.11Å; L136-W164 HydrophobicContact CB-CZ3 3.8Å; L136-W164 HydrophobicContact CD1-CH2 4.24Å; L136-W164 HydrophobicContact CD1-CZ3 4.29Å; L139-W164 HydrophobicContact CD1-CH2 3.94Å; L139-W164 HydrophobicContact CD1-CZ2 3.79Å; L158-W164 HydrophobicContact CD1-CZ2 4.01Å; L158-W164 PolarHBondContact O-NE1 2.86Å; L158-W164 VanDerWaalsContact O-NE1 3.09Å; N161-W164 HydrophobicContact CB-CZ2 3.63Å; N161-W164 VanDerWaalsContact CB-NE1 3.29Å; N161-W164 PolarHBondContact O-NE1 3.36Å; N161-W164 VanDerWaalsContact O-NE1 3.17Å; W164-Q168 HydrophobicContact CB-CB 4.24Å; W164-Q168 HydrophobicContact CE3-CB 4.19Å; W164-Y169 HydrophobicContact CB-CD1 4.47Å; W164-Y169 HydrophobicContact CB-CD2 3.84Å; W164-Y169 HydrophobicContact CB-CE1 4.09Å; W164-Y169 HydrophobicContact CB-CE2 3.4Å; W164-Y169 VanDerWaalsContact CB-CE2 3.4Å; W164-Y169 HydrophobicContact CB-CG 4.36Å; W164-Y169 AromaticContact CD1-CE1 3.81Å; W164-Y169 AromaticContact CD1-CZ 3.82Å; W164-Y169 HydrophobicContact CG-CE1 4.3Å; W164-Y169 HydrophobicContact CG-CE2 4.41Å; W164-Y169 VanDerWaalsContact O-CE2 3.29Å; W164-Y169 WeakPolarHBondContact O-CE2 3.37Å; W164-F194 AromaticContact CD1-CZ 3.82Å; W164-F194 AromaticContact NE1-CZ 3.85Å
165	Q	84.9	Confident	85.3	Confident	112 Å²	112	55.8 Å²	55.8	52%	0.523	28%	0.283	S	S	.	.			trans	-78.2	156.1	168.7	-58.9	-170.7	18.1	0	0	110.5	Y167 Q168 Y169	Q165-Y167 HydrophobicContact CB-CD1 3.67Å; Q165-Y167 HydrophobicContact CB-CE1 3.6Å; Q165-Y167 HydrophobicContact CG-CE1 4.17Å; Q165-Y167 PolarHBondContact O-N 2.93Å; Q165-Y167 VanDerWaalsContact O-N 3.14Å; Q165-Y167 VanDerWaalsContact OE1-CE1 3.23Å; Q165-Q168 HydrophobicContact CB-CG 4.42Å; Q165-Q168 WeakPolarHBondContact O-CA 3.45Å; Q165-Q168 VanDerWaalsContact O-CB 3.31Å; Q165-Q168 WeakPolarHBondContact O-CB 3.37Å; Q165-Q168 PolarHBondContact O-N 2.88Å; Q165-Y169 WeakPolarHBondContact O-CD2 3.32Å; Q165-Y169 PolarHBondContact O-N 2.57Å
166	D	84.9	Confident	85.1	Confident	89 Å²	89	57 Å²	57	48%	0.476	29%	0.289	S	S	.	.	H	α-helix	trans	-51.1	-41.9	-177.2	-72.4	28.4	0	0	0	113.5	Q168 Y169 Q170 R193	D166-Q168 VanDerWaalsContact C-N 3.27Å; D166-Q168 PolarHBondContact O-N 3.25Å; D166-Y169 PolarHBondContact O-N 2.78Å; D166-Q170 WeakPolarHBondContact O-CG 3.49Å; D166-Q170 PolarHBondContact O-N 2.79Å; D166-Q170 VanDerWaalsContact O-N 3.1Å; D166-R193 IonicContact OD1-CZ 3.21Å; D166-R193 IonicContact OD1-NH1 3.33Å; D166-R193 PolarHBondContact OD1-NH1 2.91Å; D166-R193 IonicContact OD2-NH1 3.89Å
167	Y	81.5	Confident	85.1	Confident	47 Å²	47	56.7 Å²	56.7	18%	0.184	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-29.9	178.7	82.1	-93.2	0	0	0	112.4	Q165 Q170 T171	Q165-Y167 HydrophobicContact CB-CD1 3.67Å; Q165-Y167 HydrophobicContact CB-CE1 3.6Å; Q165-Y167 HydrophobicContact CG-CE1 4.17Å; Q165-Y167 PolarHBondContact O-N 2.93Å; Q165-Y167 VanDerWaalsContact O-N 3.14Å; Q165-Y167 VanDerWaalsContact OE1-CE1 3.23Å; Y167-Q170 PolarHBondContact O-N 3.22Å; Y167-T171 WeakPolarHBondContact O-CB 3.34Å; Y167-T171 PolarHBondContact O-N 3.26Å; Y167-T171 PolarHBondContact O-OG1 2.84Å
168	Q	84.1	Confident	85.2	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-72	-41.7	178.6	-65.5	179.5	-65.3	0	0	110.6	H132 L136 W164 Q165 D166 Q170 T171 A172	H132-Q168 PolarHBondContact O-NE2 2.76Å; L136-Q168 HydrophobicContact CD2-CB 3.98Å; L136-Q168 HydrophobicContact CD2-CG 4.39Å; W164-Q168 HydrophobicContact CB-CB 4.24Å; W164-Q168 HydrophobicContact CE3-CB 4.19Å; Q165-Q168 HydrophobicContact CB-CG 4.42Å; Q165-Q168 WeakPolarHBondContact O-CA 3.45Å; Q165-Q168 VanDerWaalsContact O-CB 3.31Å; Q165-Q168 WeakPolarHBondContact O-CB 3.37Å; Q165-Q168 PolarHBondContact O-N 2.88Å; D166-Q168 VanDerWaalsContact C-N 3.27Å; D166-Q168 PolarHBondContact O-N 3.25Å; Q168-Q170 VanDerWaalsContact C-N 3.32Å; Q168-Q170 PolarHBondContact O-N 2.79Å; Q168-T171 PolarHBondContact O-N 2.97Å; Q168-A172 WeakPolarHBondContact O-CB 3.4Å; Q168-A172 PolarHBondContact O-N 3.25Å
169	Y	88.8	Confident	85.3	Confident	8 Å²	8	64.5 Å²	64.5	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-45.1	170.9	-72.6	-73.7	0	0	0	111.6	W164 Q165 D166 A172 A173 D191 R193 F194	W164-Y169 HydrophobicContact CB-CD1 4.47Å; W164-Y169 HydrophobicContact CB-CD2 3.84Å; W164-Y169 HydrophobicContact CB-CE1 4.09Å; W164-Y169 HydrophobicContact CB-CE2 3.4Å; W164-Y169 VanDerWaalsContact CB-CE2 3.4Å; W164-Y169 HydrophobicContact CB-CG 4.36Å; W164-Y169 AromaticContact CD1-CE1 3.81Å; W164-Y169 AromaticContact CD1-CZ 3.82Å; W164-Y169 HydrophobicContact CG-CE1 4.3Å; W164-Y169 HydrophobicContact CG-CE2 4.41Å; W164-Y169 VanDerWaalsContact O-CE2 3.29Å; W164-Y169 WeakPolarHBondContact O-CE2 3.37Å; Q165-Y169 WeakPolarHBondContact O-CD2 3.32Å; Q165-Y169 PolarHBondContact O-N 2.57Å; D166-Y169 PolarHBondContact O-N 2.78Å; Y169-A172 PolarHBondContact O-N 2.75Å; Y169-A173 VanDerWaalsContact O-CB 3.3Å; Y169-A173 WeakPolarHBondContact O-CB 3.41Å; Y169-A173 PolarHBondContact O-N 2.78Å; Y169-D191 HydrophobicContact CD1-CB 4.3Å; Y169-D191 HydrophobicContact CE1-CB 3.57Å; Y169-D191 PolarHBondContact OH-OD2 3.03Å; Y169-R193 HydrophobicContact CD1-CB 4.12Å; Y169-R193 HydrophobicContact CD2-CB 4.35Å; Y169-R193 HydrophobicContact CG-CB 3.79Å; Y169-F194 AromaticContact CD1-CD1 3.9Å; Y169-F194 HydrophobicContact CD1-CD1 3.9Å; Y169-F194 AromaticContact CD1-CD2 3.82Å; Y169-F194 HydrophobicContact CD1-CD2 3.82Å; Y169-F194 AromaticContact CD1-CE1 3.72Å; Y169-F194 HydrophobicContact CD1-CE1 3.72Å; Y169-F194 AromaticContact CD1-CE2 3.68Å; Y169-F194 HydrophobicContact CD1-CE2 3.68Å; Y169-F194 AromaticContact CD1-CG 3.94Å; Y169-F194 HydrophobicContact CD1-CG 3.94Å; Y169-F194 AromaticContact CD1-CZ 3.61Å; Y169-F194 HydrophobicContact CD1-CZ 3.61Å; Y169-F194 AromaticContact CE1-CD2 3.84Å; Y169-F194 HydrophobicContact CE1-CD2 3.84Å; Y169-F194 HydrophobicContact CE1-CE1 4.12Å; Y169-F194 AromaticContact CE1-CE2 3.36Å; Y169-F194 HydrophobicContact CE1-CE2 3.36Å; Y169-F194 HydrophobicContact CE1-CG 4.42Å; Y169-F194 AromaticContact CE1-CZ 3.5Å; Y169-F194 HydrophobicContact CE1-CZ 3.5Å
170	Q	83.6	Confident	85.5	Confident	92 Å²	92	63.8 Å²	63.8	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-65.1	-40.5	177.8	-69.1	178.8	8.1	0	0	112	D166 Y167 Q168 A173 Q174	D166-Q170 WeakPolarHBondContact O-CG 3.49Å; D166-Q170 PolarHBondContact O-N 2.79Å; D166-Q170 VanDerWaalsContact O-N 3.1Å; Y167-Q170 PolarHBondContact O-N 3.22Å; Q168-Q170 VanDerWaalsContact C-N 3.32Å; Q168-Q170 PolarHBondContact O-N 2.79Å; Q170-A173 PolarHBondContact O-N 3.33Å; Q170-Q174 WeakPolarHBondContact O-CB 3.4Å; Q170-Q174 VanDerWaalsContact O-CG 3.26Å; Q170-Q174 WeakPolarHBondContact O-CG 3.23Å; Q170-Q174 PolarHBondContact O-N 3.49Å
171	T	85.9	Confident	85.9	Confident	39 Å²	39	58.4 Å²	58.4	24%	0.239	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-46.8	174.9	-58.9	0	0	0	0	110.4	L136 W137 Y167 Q168 Q174 V175	L136-T171 HydrophobicContact CD2-CG2 4.27Å; W137-T171 HydrophobicContact CH2-CG2 4.34Å; W137-T171 HydrophobicContact CZ2-CG2 3.87Å; Y167-T171 WeakPolarHBondContact O-CB 3.34Å; Y167-T171 PolarHBondContact O-N 3.26Å; Y167-T171 PolarHBondContact O-OG1 2.84Å; Q168-T171 PolarHBondContact O-N 2.97Å; T171-Q174 PolarHBondContact O-N 3.41Å; T171-Q174 VanDerWaalsContact O-N 3.16Å; T171-V175 WeakPolarHBondContact O-CG2 3.49Å; T171-V175 PolarHBondContact O-N 3.49Å
172	A	89.9	Confident	86.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-53	174.7	0	0	0	0	0	110.9	L136 L140 Q168 Y169 Q174 V175 I176 F194	L136-A172 HydrophobicContact CD1-CB 4.2Å; L140-A172 HydrophobicContact CD2-CB 4.35Å; Q168-A172 WeakPolarHBondContact O-CB 3.4Å; Q168-A172 PolarHBondContact O-N 3.25Å; Y169-A172 PolarHBondContact O-N 2.75Å; A172-Q174 PolarHBondContact O-N 3.48Å; A172-V175 PolarHBondContact O-N 3.15Å; A172-I176 WeakPolarHBondContact O-CG1 3.33Å; A172-I176 VanDerWaalsContact O-CG2 3.3Å; A172-I176 WeakPolarHBondContact O-CG2 3.39Å; A172-I176 PolarHBondContact O-N 3.02Å; A172-F194 HydrophobicContact CB-CD1 3.75Å; A172-F194 HydrophobicContact CB-CE1 3.79Å
173	A	89.1	Confident	88.2	Confident	11 Å²	11	51.1 Å²	51.1	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-54.8	-27	177.2	0	0	0	0	0	112.7	Y169 Q170 F194 R196	Y169-A173 VanDerWaalsContact O-CB 3.3Å; Y169-A173 WeakPolarHBondContact O-CB 3.41Å; Y169-A173 PolarHBondContact O-N 2.78Å; Q170-A173 PolarHBondContact O-N 3.33Å; A173-F194 VanDerWaalsContact CA-O 3.27Å; A173-F194 WeakPolarHBondContact CA-O 3.3Å; A173-F194 WeakPolarHBondContact CB-O 3.35Å; A173-R196 HydrophobicContact CB-CG 4.15Å; A173-R196 WeakPolarHBondContact O-CG 3.34Å; A173-R196 PolarHBondContact O-NE 3.27Å
174	Q	86.5	Confident	89.2	Confident	122 Å²	122	43.1 Å²	43.1	57%	0.57	21%	0.207	S	C	*	.	H	α-helix	trans	-78.4	-29.7	176.6	-74.4	-179.7	14.1	0	0	114.8	Q170 T171 A172 R196	Q170-Q174 WeakPolarHBondContact O-CB 3.4Å; Q170-Q174 VanDerWaalsContact O-CG 3.26Å; Q170-Q174 WeakPolarHBondContact O-CG 3.23Å; Q170-Q174 PolarHBondContact O-N 3.49Å; T171-Q174 PolarHBondContact O-N 3.41Å; T171-Q174 VanDerWaalsContact O-N 3.16Å; A172-Q174 PolarHBondContact O-N 3.48Å; Q174-R196 PolarHBondContact O-NH2 2.95Å
175	V	87.2	Confident	89.8	Confident	54 Å²	54	42.2 Å²	42.2	33%	0.327	21%	0.205	S	C	.	.	H	α-helix	trans	-107.6	-28.1	-168	175.7	0	0	0	0	112.8	W137 L140 T171 A172 D177	W137-V175 HydrophobicContact CH2-CG2 3.82Å; W137-V175 HydrophobicContact CZ3-CG1 4Å; W137-V175 HydrophobicContact CZ3-CG2 4.05Å; L140-V175 HydrophobicContact CD1-CB 4.3Å; L140-V175 HydrophobicContact CD1-CG1 4.2Å; T171-V175 WeakPolarHBondContact O-CG2 3.49Å; T171-V175 PolarHBondContact O-N 3.49Å; A172-V175 PolarHBondContact O-N 3.15Å; V175-D177 PolarHBondContact O-N 3.15Å
176	I	91.4	Very high	90.3	Very high	26 Å²	26	37.5 Å²	37.5	13%	0.133	18%	0.182	C	C	.	.			trans	-55.5	135.4	-177.5	57.6	176.9	0	0	0	111.2	L140 A172 T180 A181 L184 F194	L140-I176 HydrophobicContact CD2-CG2 3.68Å; A172-I176 WeakPolarHBondContact O-CG1 3.33Å; A172-I176 VanDerWaalsContact O-CG2 3.3Å; A172-I176 WeakPolarHBondContact O-CG2 3.39Å; A172-I176 PolarHBondContact O-N 3.02Å; I176-T180 HydrophobicContact CB-CG2 3.93Å; I176-T180 HydrophobicContact CG2-CG2 3.58Å; I176-A181 HydrophobicContact CD1-CB 3.86Å; I176-A181 HydrophobicContact CG1-CB 4.39Å; I176-L184 HydrophobicContact CD1-CD1 4.08Å; I176-L184 HydrophobicContact CG2-CD1 4.32Å; I176-F194 VanDerWaalsContact CD1-O 3.25Å; I176-F194 WeakPolarHBondContact CD1-O 3.49Å
177	D	91.3	Very high	90.7	Very high	52 Å²	52	34 Å²	34	28%	0.278	16%	0.164	S	C	.	.			trans	-78.8	169.5	173.5	77.3	-31.7	0	0	0	110.6	V175 R179 T180 A181	V175-D177 PolarHBondContact O-N 3.15Å; D177-R179 PolarHBondContact O-N 3.38Å; D177-T180 PolarHBondContact O-N 3.35Å; D177-T180 WeakPolarHBondContact OD1-CB 3.31Å; D177-T180 PolarHBondContact OD1-N 3.26Å; D177-T180 PolarHBondContact OD1-OG1 2.98Å; D177-A181 PolarHBondContact O-N 2.82Å
178	Q	92.3	Very high	91	Very high	61 Å²	61	35.5 Å²	35.5	29%	0.285	18%	0.179	S	C	.	.	H	α-helix	trans	-53.6	-41.2	179.7	165.7	175.2	-10.8	0	0	112.9	A181 V182 V339	Q178-A181 PolarHBondContact O-N 2.7Å; Q178-V182 WeakPolarHBondContact O-CG2 3.34Å; Q178-V182 PolarHBondContact O-N 2.96Å; Q178-V339 HydrophobicContact CB-CG1 4.06Å; Q178-V339 HydrophobicContact CB-CG2 4.41Å; Q178-V339 HydrophobicContact CG-CB 4.12Å; Q178-V339 HydrophobicContact CG-CG1 4.12Å; Q178-V339 HydrophobicContact CG-CG2 3.56Å
179	R	93.1	Very high	91	Very high	151 Å²	151	43.5 Å²	43.5	57%	0.57	22%	0.217	S	C	*	.	H	α-helix	trans	-68.8	-43.6	-177.6	-61.6	177.6	-172.6	165.2	3.9	111	D177 G183	D177-R179 PolarHBondContact O-N 3.38Å; R179-G183 PolarHBondContact O-N 2.94Å
180	T	94.8	Very high	91.1	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-44.3	174.5	-58.7	0	0	0	0	110.9	T143 V155 L158 I176 D177 G183 L184	T143-T180 VanDerWaalsContact CB-OG1 3.28Å; T143-T180 WeakPolarHBondContact CB-OG1 3.32Å; T143-T180 HydrophobicContact CG2-CG2 3.99Å; T143-T180 PolarHBondContact OG1-OG1 2.97Å; T143-T180 VanDerWaalsContact OG1-OG1 3.07Å; V155-T180 HydrophobicContact CG2-CG2 4.21Å; L158-T180 HydrophobicContact CD2-CG2 4.46Å; I176-T180 HydrophobicContact CB-CG2 3.93Å; I176-T180 HydrophobicContact CG2-CG2 3.58Å; D177-T180 PolarHBondContact O-N 3.35Å; D177-T180 WeakPolarHBondContact OD1-CB 3.31Å; D177-T180 PolarHBondContact OD1-N 3.26Å; D177-T180 PolarHBondContact OD1-OG1 2.98Å; T180-G183 PolarHBondContact O-N 3.02Å; T180-L184 HydrophobicContact CG2-CD1 3.99Å; T180-L184 HydrophobicContact CG2-CG 4.28Å; T180-L184 WeakPolarHBondContact O-CB 3.33Å; T180-L184 WeakPolarHBondContact O-CG 3.29Å; T180-L184 PolarHBondContact O-N 3Å
181	A	95.4	Very high	91.5	Very high	9 Å²	9	41.1 Å²	41.1	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-49.1	178	0	0	0	0	0	112.1	I176 D177 Q178 G183 L184 A185 F195 V344	I176-A181 HydrophobicContact CD1-CB 3.86Å; I176-A181 HydrophobicContact CG1-CB 4.39Å; D177-A181 PolarHBondContact O-N 2.82Å; Q178-A181 PolarHBondContact O-N 2.7Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.47Å; A181-L184 PolarHBondContact O-N 2.86Å; A181-A185 WeakPolarHBondContact O-CB 3.21Å; A181-A185 PolarHBondContact O-N 3.32Å; A181-F195 WeakPolarHBondContact O-CE1 3.48Å; A181-V344 HydrophobicContact CB-CG1 4.32Å
182	V	96.1	Very high	91.9	Very high	3 Å²	3	42 Å²	42	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-39	175.8	173.9	0	0	0	0	111.1	Q178 A185 R186 V339 V344 L369 D370	Q178-V182 WeakPolarHBondContact O-CG2 3.34Å; Q178-V182 PolarHBondContact O-N 2.96Å; V182-A185 PolarHBondContact O-N 3.46Å; V182-R186 WeakPolarHBondContact O-CG 3.4Å; V182-R186 PolarHBondContact O-N 2.84Å; V182-R186 VanDerWaalsContact O-N 3.1Å; V182-V339 HydrophobicContact CG2-CG2 4.41Å; V182-V344 HydrophobicContact CG2-CG2 4.19Å; V182-L369 HydrophobicContact CG1-CB 3.88Å; V182-L369 HydrophobicContact CG2-CB 3.95Å; V182-L369 HydrophobicContact CG2-CD1 4.48Å; V182-D370 HydrophobicContact CG1-CB 3.69Å
183	G	94.9	Very high	92	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-47.5	176.8	0	0	0	0	0	113.2	R179 T180 A181 R186 T187 R390	R179-G183 PolarHBondContact O-N 2.94Å; T180-G183 PolarHBondContact O-N 3.02Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.47Å; G183-R186 CarbonylContact O-C 3.53Å; G183-R186 WeakPolarHBondContact O-CA 3.39Å; G183-R186 PolarHBondContact O-N 3.07Å; G183-R186 VanDerWaalsContact O-N 3.11Å; G183-T187 PolarHBondContact O-N 3.5Å; G183-T187 PolarHBondContact O-OG1 3.42Å; G183-R390 VanDerWaalsContact CA-NH1 3.32Å
184	L	95.1	Very high	92.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-45.1	174.6	-74.9	172.4	0	0	0	111.2	V155 L158 A159 I176 T180 A181 R186 T187 V190 F194 F195	V155-L184 HydrophobicContact CG1-CD2 4.05Å; V155-L184 HydrophobicContact CG1-CG 4.17Å; L158-L184 HydrophobicContact CB-CD2 4.36Å; L158-L184 HydrophobicContact CD2-CD1 4Å; L158-L184 HydrophobicContact CD2-CD2 4.11Å; L158-L184 HydrophobicContact CG-CD2 4.28Å; A159-L184 HydrophobicContact CB-CD2 3.95Å; I176-L184 HydrophobicContact CD1-CD1 4.08Å; I176-L184 HydrophobicContact CG2-CD1 4.32Å; T180-L184 HydrophobicContact CG2-CD1 3.99Å; T180-L184 HydrophobicContact CG2-CG 4.28Å; T180-L184 WeakPolarHBondContact O-CB 3.33Å; T180-L184 WeakPolarHBondContact O-CG 3.29Å; T180-L184 PolarHBondContact O-N 3Å; A181-L184 PolarHBondContact O-N 2.86Å; L184-R186 PolarHBondContact O-N 3.19Å; L184-R186 VanDerWaalsContact O-N 3.13Å; L184-T187 WeakPolarHBondContact O-CB 3.31Å; L184-T187 PolarHBondContact O-N 2.9Å; L184-V190 HydrophobicContact CB-CG2 4.15Å; L184-V190 HydrophobicContact CD2-CG2 4.41Å; L184-V190 WeakPolarHBondContact O-CB 3.29Å; L184-V190 WeakPolarHBondContact O-CG1 3.45Å; L184-V190 WeakPolarHBondContact O-CG2 3.46Å; L184-F194 HydrophobicContact CD1-CB 4.12Å; L184-F194 HydrophobicContact CD1-CD1 4.23Å; L184-F194 HydrophobicContact CD1-CG 4.14Å; L184-F195 HydrophobicContact CB-CE1 4.12Å; L184-F195 HydrophobicContact CB-CZ 3.93Å
185	A	95.9	Very high	92.4	Very high	4 Å²	4	41 Å²	41	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-21	177.6	0	0	0	0	0	112.8	A181 V182 F195 V344 A348 L366	A181-A185 WeakPolarHBondContact O-CB 3.21Å; A181-A185 PolarHBondContact O-N 3.32Å; V182-A185 PolarHBondContact O-N 3.46Å; A185-F195 HydrophobicContact CB-CE1 3.9Å; A185-F195 HydrophobicContact CB-CZ 3.81Å; A185-V344 HydrophobicContact CB-CG1 3.91Å; A185-A348 HydrophobicContact CB-CB 3.9Å; A185-L366 HydrophobicContact CB-CD1 4.07Å; A185-L366 HydrophobicContact CB-CD2 3.71Å
186	R	95.1	Very high	92.2	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.049	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.1	173.9	-64.9	-166.8	73.6	-145.8	1.3	113.4	V182 G183 L184 L366 D370 Q388 T389 R390	V182-R186 WeakPolarHBondContact O-CG 3.4Å; V182-R186 PolarHBondContact O-N 2.84Å; V182-R186 VanDerWaalsContact O-N 3.1Å; G183-R186 CarbonylContact O-C 3.53Å; G183-R186 WeakPolarHBondContact O-CA 3.39Å; G183-R186 PolarHBondContact O-N 3.07Å; G183-R186 VanDerWaalsContact O-N 3.11Å; L184-R186 PolarHBondContact O-N 3.19Å; L184-R186 VanDerWaalsContact O-N 3.13Å; R186-L366 WeakPolarHBondContact CD-O 3.47Å; R186-L366 HydrophobicContact CG-CB 3.74Å; R186-L366 HydrophobicContact CG-CD1 4.48Å; R186-D370 WeakPolarHBondContact CD-OD2 3.49Å; R186-D370 IonicContact CZ-OD2 3.23Å; R186-D370 IonicContact NE-OD2 2.66Å; R186-D370 IonicContact NH1-OD2 2.77Å; R186-D370 PolarHBondContact NH1-OD2 2.86Å; R186-Q388 PolarHBondContact NH2-O 3.43Å; R186-T389 CarbonylContact O-C 3.46Å; R186-T389 WeakPolarHBondContact O-CA 3.38Å; R186-T389 WeakPolarHBondContact O-CB 3.29Å; R186-R390 HydrophobicContact CB-CG 4.01Å; R186-R390 PolarHBondContact O-N 2.69Å
187	T	92.5	Very high	91.8	Very high	17 Å²	17	51.1 Å²	51.1	10%	0.104	24%	0.236	C	C	.	.	S	Bend	trans	-97.1	136.4	170	-55.2	0	0	0	0	109.8	A159 G183 L184 Q189 V190	A159-T187 HydrophobicContact CB-CG2 3.57Å; G183-T187 PolarHBondContact O-N 3.5Å; G183-T187 PolarHBondContact O-OG1 3.42Å; L184-T187 WeakPolarHBondContact O-CB 3.31Å; L184-T187 PolarHBondContact O-N 2.9Å; T187-Q189 PolarHBondContact O-N 2.86Å; T187-V190 PolarHBondContact O-N 2.87Å
188	P	87.3	Confident	91.5	Very high	77 Å²	77	49.6 Å²	49.6	50%	0.5	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	136.1	174.8	-23.2	32.9	0	0	0	111.7	V190 T389	P188-V190 PolarHBondContact O-N 2.85Å; P188-V190 VanDerWaalsContact O-N 3.12Å; P188-T389 HydrophobicContact CG-CG2 4.24Å
189	Q	84.8	Confident	91.1	Very high	172 Å²	172	49.8 Å²	49.8	80%	0.804	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	26.5	174.4	-55.2	-63.8	2.5	0	0	116.2	T187 D191	T187-Q189 PolarHBondContact O-N 2.86Å; Q189-D191 PolarHBondContact O-N 2.85Å
190	V	91.3	Very high	90.6	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	25%	0.248	C	C	.	.			trans	-56.6	138.2	177	67.4	0	0	0	0	112.5	L184 T187 P188 L192 F194 F195 K352	L184-V190 HydrophobicContact CB-CG2 4.15Å; L184-V190 HydrophobicContact CD2-CG2 4.41Å; L184-V190 WeakPolarHBondContact O-CB 3.29Å; L184-V190 WeakPolarHBondContact O-CG1 3.45Å; L184-V190 WeakPolarHBondContact O-CG2 3.46Å; T187-V190 PolarHBondContact O-N 2.87Å; P188-V190 PolarHBondContact O-N 2.85Å; P188-V190 VanDerWaalsContact O-N 3.12Å; V190-L192 PolarHBondContact O-N 3.07Å; V190-F194 HydrophobicContact CG2-CD2 3.96Å; V190-F195 HydrophobicContact CG1-CE2 4.04Å; V190-F195 HydrophobicContact CG1-CZ 4.25Å; V190-F195 HydrophobicContact CG2-CE2 4.25Å; V190-F195 HydrophobicContact CG2-CZ 4.23Å; V190-K352 WeakPolarHBondContact O-CE 3.38Å; V190-K352 PolarHBondContact O-NZ 3.39Å
191	D	92.6	Very high	90	Very high	45 Å²	45	48.8 Å²	48.8	24%	0.241	26%	0.256	C	S	.	.			trans	-68.8	129.2	173.4	-166.1	-49.8	0	0	0	110.7	Y169 Q189 R193 F194	Y169-D191 HydrophobicContact CD1-CB 4.3Å; Y169-D191 HydrophobicContact CE1-CB 3.57Å; Y169-D191 PolarHBondContact OH-OD2 3.03Å; Q189-D191 PolarHBondContact O-N 2.85Å; D191-R193 PolarHBondContact O-N 2.87Å; D191-R193 VanDerWaalsContact OD1-CB 3.23Å; D191-R193 WeakPolarHBondContact OD1-CB 3.44Å; D191-R193 VanDerWaalsContact OD1-CG 3.27Å; D191-R193 WeakPolarHBondContact OD1-CG 3.3Å; D191-R193 PolarHBondContact OD1-N 3.44Å; D191-R193 IonicContact OD1-NE 3.31Å; D191-R193 PolarHBondContact OD1-NE 3.36Å; D191-R193 IonicContact OD2-CZ 3.47Å; D191-R193 IonicContact OD2-NE 3.72Å; D191-R193 PolarHBondContact OD2-NE 3.01Å; D191-R193 VanDerWaalsContact OD2-NE 3.11Å; D191-R193 IonicContact OD2-NH2 3.9Å; D191-R193 PolarHBondContact OD2-NH2 2.97Å; D191-F194 HydrophobicContact CB-CD2 4.15Å; D191-F194 HydrophobicContact CB-CE2 4.34Å; D191-F194 WeakPolarHBondContact O-CD2 3.35Å; D191-F194 PolarHBondContact O-N 3.22Å
192	L	92.6	Very high	89.3	Confident	57 Å²	57	53.1 Å²	53.1	30%	0.298	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-68.7	-17.3	-176.8	-64.5	178.7	0	0	0	112.9	V190 F194 F195 A348 E349 K352	V190-L192 PolarHBondContact O-N 3.07Å; L192-F194 PolarHBondContact O-N 3.37Å; L192-F195 HydrophobicContact CD2-CD2 4.34Å; L192-F195 HydrophobicContact CD2-CE2 4.4Å; L192-F195 WeakPolarHBondContact O-CD2 3.38Å; L192-F195 PolarHBondContact O-N 3.05Å; L192-A348 HydrophobicContact CD2-CB 4.06Å; L192-E349 HydrophobicContact CD1-CB 4.24Å; L192-E349 HydrophobicContact CD1-CG 4.24Å; L192-E349 HydrophobicContact CD2-CB 4.47Å; L192-K352 HydrophobicContact CD2-CD 4.45Å
193	R	91.9	Very high	88.2	Confident	99 Å²	99	60.6 Å²	60.6	37%	0.374	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-67.1	-13.9	177.5	-64.3	177	-70.9	174.1	-0.6	113.4	D166 Y169 D191 F195	D166-R193 IonicContact OD1-CZ 3.21Å; D166-R193 IonicContact OD1-NH1 3.33Å; D166-R193 PolarHBondContact OD1-NH1 2.91Å; D166-R193 IonicContact OD2-NH1 3.89Å; Y169-R193 HydrophobicContact CD1-CB 4.12Å; Y169-R193 HydrophobicContact CD2-CB 4.35Å; Y169-R193 HydrophobicContact CG-CB 3.79Å; D191-R193 PolarHBondContact O-N 2.87Å; D191-R193 VanDerWaalsContact OD1-CB 3.23Å; D191-R193 WeakPolarHBondContact OD1-CB 3.44Å; D191-R193 VanDerWaalsContact OD1-CG 3.27Å; D191-R193 WeakPolarHBondContact OD1-CG 3.3Å; D191-R193 PolarHBondContact OD1-N 3.44Å; D191-R193 IonicContact OD1-NE 3.31Å; D191-R193 PolarHBondContact OD1-NE 3.36Å; D191-R193 IonicContact OD2-CZ 3.47Å; D191-R193 IonicContact OD2-NE 3.72Å; D191-R193 PolarHBondContact OD2-NE 3.01Å; D191-R193 VanDerWaalsContact OD2-NE 3.11Å; D191-R193 IonicContact OD2-NH2 3.9Å; D191-R193 PolarHBondContact OD2-NH2 2.97Å; R193-F195 PolarHBondContact O-N 2.84Å
194	F	92.1	Very high	86.9	Confident	1 Å²	1	63.6 Å²	63.6	0%	0.004	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-68.1	-15.7	169	-78.6	-62.4	0	0	0	113.7	L158 W164 Y169 A172 A173 I176 L184 V190 D191 L192	L158-F194 HydrophobicContact CD1-CE1 3.99Å; L158-F194 HydrophobicContact CD1-CZ 4.18Å; L158-F194 HydrophobicContact CD2-CE1 4.25Å; L158-F194 HydrophobicContact CG-CE1 3.88Å; L158-F194 HydrophobicContact CG-CZ 3.94Å; L158-F194 WeakPolarHBondContact O-CZ 3.4Å; W164-F194 AromaticContact CD1-CZ 3.82Å; W164-F194 AromaticContact NE1-CZ 3.85Å; Y169-F194 AromaticContact CD1-CD1 3.9Å; Y169-F194 HydrophobicContact CD1-CD1 3.9Å; Y169-F194 AromaticContact CD1-CD2 3.82Å; Y169-F194 HydrophobicContact CD1-CD2 3.82Å; Y169-F194 AromaticContact CD1-CE1 3.72Å; Y169-F194 HydrophobicContact CD1-CE1 3.72Å; Y169-F194 AromaticContact CD1-CE2 3.68Å; Y169-F194 HydrophobicContact CD1-CE2 3.68Å; Y169-F194 AromaticContact CD1-CG 3.94Å; Y169-F194 HydrophobicContact CD1-CG 3.94Å; Y169-F194 AromaticContact CD1-CZ 3.61Å; Y169-F194 HydrophobicContact CD1-CZ 3.61Å; Y169-F194 AromaticContact CE1-CD2 3.84Å; Y169-F194 HydrophobicContact CE1-CD2 3.84Å; Y169-F194 HydrophobicContact CE1-CE1 4.12Å; Y169-F194 AromaticContact CE1-CE2 3.36Å; Y169-F194 HydrophobicContact CE1-CE2 3.36Å; Y169-F194 HydrophobicContact CE1-CG 4.42Å; Y169-F194 AromaticContact CE1-CZ 3.5Å; Y169-F194 HydrophobicContact CE1-CZ 3.5Å; A172-F194 HydrophobicContact CB-CD1 3.75Å; A172-F194 HydrophobicContact CB-CE1 3.79Å; A173-F194 VanDerWaalsContact CA-O 3.27Å; A173-F194 WeakPolarHBondContact CA-O 3.3Å; A173-F194 WeakPolarHBondContact CB-O 3.35Å; I176-F194 VanDerWaalsContact CD1-O 3.25Å; I176-F194 WeakPolarHBondContact CD1-O 3.49Å; L184-F194 HydrophobicContact CD1-CB 4.12Å; L184-F194 HydrophobicContact CD1-CD1 4.23Å; L184-F194 HydrophobicContact CD1-CG 4.14Å; V190-F194 HydrophobicContact CG2-CD2 3.96Å; D191-F194 HydrophobicContact CB-CD2 4.15Å; D191-F194 HydrophobicContact CB-CE2 4.34Å; D191-F194 WeakPolarHBondContact O-CD2 3.35Å; D191-F194 PolarHBondContact O-N 3.22Å; L192-F194 PolarHBondContact O-N 3.37Å
195	F	92.7	Very high	85.6	Confident	13 Å²	13	71.4 Å²	71.4	6%	0.057	38%	0.375	C	S	.	.	S	Bend	trans	-106	133.4	-178.1	-50	-73.7	0	0	0	110.8	A181 L184 A185 V190 L192 R193 V344 S345 A348	A181-F195 WeakPolarHBondContact O-CE1 3.48Å; L184-F195 HydrophobicContact CB-CE1 4.12Å; L184-F195 HydrophobicContact CB-CZ 3.93Å; A185-F195 HydrophobicContact CB-CE1 3.9Å; A185-F195 HydrophobicContact CB-CZ 3.81Å; V190-F195 HydrophobicContact CG1-CE2 4.04Å; V190-F195 HydrophobicContact CG1-CZ 4.25Å; V190-F195 HydrophobicContact CG2-CE2 4.25Å; V190-F195 HydrophobicContact CG2-CZ 4.23Å; L192-F195 HydrophobicContact CD2-CD2 4.34Å; L192-F195 HydrophobicContact CD2-CE2 4.4Å; L192-F195 WeakPolarHBondContact O-CD2 3.38Å; L192-F195 PolarHBondContact O-N 3.05Å; R193-F195 PolarHBondContact O-N 2.84Å; F195-V344 HydrophobicContact CD1-CG1 4.03Å; F195-V344 HydrophobicContact CE1-CG1 4.05Å; F195-S345 VanDerWaalsContact CB-CB 3.48Å; F195-A348 HydrophobicContact CD2-CB 3.91Å; F195-A348 HydrophobicContact CE2-CB 3.6Å; F195-A348 HydrophobicContact CZ-CB 3.94Å
196	R	83.9	Confident	83.7	Confident	149 Å²	149	79.6 Å²	79.6	56%	0.562	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-66.3	139.1	169.2	-62.3	-170	-175.5	-156.8	7.4	109.2	A173 Q174 S345	A173-R196 HydrophobicContact CB-CG 4.15Å; A173-R196 WeakPolarHBondContact O-CG 3.34Å; A173-R196 PolarHBondContact O-NE 3.27Å; Q174-R196 PolarHBondContact O-NH2 2.95Å; R196-S345 WeakPolarHBondContact O-CB 3.3Å; R196-S345 PolarHBondContact O-OG 3.3Å
197	Q	82.8	Confident	81.8	Confident	143 Å²	143	82.8 Å²	82.8	67%	0.668	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-61.5	149	171.2	-68.9	-63.4	-32.3	0	0	110.4
198	P	84.9	Confident	80.5	Confident	21 Å²	21	84.8 Å²	84.8	14%	0.136	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-56.1	141.3	176	-24.2	35.6	0	0	0	110.9	Q305 S345 V346	P198-Q305 HydrophobicContact CB-CG 4.28Å; P198-S345 WeakPolarHBondContact CD-OG 3.38Å; P198-V346 HydrophobicContact CG-CG2 3.66Å
199	P	84.1	Confident	80.1	Confident	64 Å²	64	83 Å²	83	42%	0.416	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.2	143.9	-177.5	25.2	-32.6	0	0	0	110.7	L201 Q305 S341	P199-L201 PolarHBondContact O-N 3.38Å; P199-Q305 PolarHBondContact O-NE2 2.7Å; P199-S341 WeakPolarHBondContact CD-O 3.3Å
200	A	82.6	Confident	79.8	Confident	101 Å²	101	75.3 Å²	75.3	84%	0.835	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.7	127.1	173	0	0	0	0	0	109.2
201	L	82.1	Confident	79.4	Confident	32 Å²	32	75.4 Å²	75.4	17%	0.168	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-84.1	144.4	177.2	-61.2	175.2	0	0	0	108.5	P199 Q302 Q305 R306	P199-L201 PolarHBondContact O-N 3.38Å; L201-Q302 WeakPolarHBondContact CD1-O 3.23Å; L201-Q302 HydrophobicContact CD2-CB 4Å; L201-Q302 HydrophobicContact CD2-CG 3.99Å; L201-Q305 HydrophobicContact CD1-CB 4.18Å; L201-Q305 HydrophobicContact CD1-CG 4.23Å; L201-R306 HydrophobicContact CD1-CB 3.69Å
202	P	79.7	Confident	78.9	Confident	101 Å²	101	76 Å²	76	66%	0.656	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-54.2	155.3	171.9	-22.7	32.4	0	0	0	110.8	R306	P202-R306 PolarHBondContact O-NH2 3.06Å
203	D	72.8	Confident	78.6	Confident	160 Å²	160	73.9 Å²	73.9	86%	0.856	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-64.7	152	170.1	-67.3	-40.2	0	0	0	110.3
204	L	67.8	Low	78.5	Confident	62 Å²	62	69.2 Å²	69.2	33%	0.325	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-69.6	137.2	171.2	-80.2	160.7	0	0	0	108.5	V208 R306	L204-V208 WeakPolarHBondContact CD1-O 3.43Å; L204-V208 HydrophobicContact CD2-CB 4.23Å; L204-V208 HydrophobicContact CD2-CG1 4Å; L204-V208 WeakPolarHBondContact CD2-O 3.42Å; L204-R306 VanDerWaalsContact CG-NH1 3.34Å
205	E	69	Low	78.4	Confident	164 Å²	164	70.5 Å²	70.5	77%	0.766	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-57.7	146.1	167.9	-66.8	-178.7	178.3	0	0	109.8	G207 V208	E205-G207 PolarHBondContact O-N 2.87Å; E205-V208 PolarHBondContact O-N 3.08Å; E205-V208 VanDerWaalsContact O-N 3.08Å
206	D	54.3	Low	78.2	Confident	176 Å²	176	76.4 Å²	76.4	94%	0.941	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	115.4	-178.4	-74.4	-35.9	0	0	0	111.1
207	G	56.5	Low	78.6	Confident	81 Å²	81	69.5 Å²	69.5	84%	0.835	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.9	-6.1	176.1	0	0	0	0	0	116.5	E205	E205-G207 PolarHBondContact O-N 2.87Å
208	V	64.2	Low	79.1	Confident	58 Å²	58	62.7 Å²	62.7	35%	0.352	38%	0.376	S	S	.	.			trans	-92.2	116.3	172.9	-177.2	0	0	0	0	109.7	L204 E205 D212	L204-V208 WeakPolarHBondContact CD1-O 3.43Å; L204-V208 HydrophobicContact CD2-CB 4.23Å; L204-V208 HydrophobicContact CD2-CG1 4Å; L204-V208 WeakPolarHBondContact CD2-O 3.42Å; E205-V208 PolarHBondContact O-N 3.08Å; E205-V208 VanDerWaalsContact O-N 3.08Å; V208-D212 HydrophobicContact CG1-CB 4.44Å
209	S	78.6	Confident	79.4	Confident	40 Å²	40	64.9 Å²	64.9	28%	0.28	40%	0.396	S	S	.	.			trans	-86.4	158.6	175.5	71.6	0	0	0	0	112.1	E211 D212 G213	S209-E211 PolarHBondContact O-N 3.18Å; S209-D212 WeakPolarHBondContact CB-OD2 3.33Å; S209-D212 PolarHBondContact N-OD2 3.48Å; S209-D212 VanDerWaalsContact N-OD2 3.08Å; S209-D212 PolarHBondContact O-N 3.04Å; S209-D212 VanDerWaalsContact O-N 3.1Å; S209-D212 PolarHBondContact OG-N 3.3Å; S209-D212 VanDerWaalsContact OG-N 3.11Å; S209-D212 PolarHBondContact OG-OD2 3.28Å; S209-G213 PolarHBondContact O-N 3.05Å
210	A	78.8	Confident	79.8	Confident	11 Å²	11	64 Å²	64	9%	0.091	39%	0.391	C	S	.	.	H	α-helix	trans	-59.4	-30.8	171.7	0	0	0	0	0	112.1	L214 L310	A210-L214 PolarHBondContact O-N 3.45Å; A210-L214 VanDerWaalsContact O-N 3.09Å; A210-L310 HydrophobicContact CB-CD1 3.76Å
211	E	82.8	Confident	80.4	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.028	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-42.3	173.3	-175.1	-171.7	146.2	0	0	111.9	S209 L214 R215 S271 A274 E275	S209-E211 PolarHBondContact O-N 3.18Å; E211-L214 PolarHBondContact O-N 2.86Å; E211-R215 PolarHBondContact O-N 3.01Å; E211-R215 IonicContact OE1-CZ 2.64Å; E211-R215 IonicContact OE1-NH1 3.83Å; E211-R215 PolarHBondContact OE1-NH1 3.39Å; E211-R215 IonicContact OE1-NH2 2.66Å; E211-R215 PolarHBondContact OE1-NH2 3.13Å; E211-S271 WeakPolarHBondContact OE2-CA 3.36Å; E211-S271 WeakPolarHBondContact OE2-CB 3.49Å; E211-S271 PolarHBondContact OE2-OG 2.59Å; E211-A274 HydrophobicContact CG-CB 4.19Å; E211-A274 WeakPolarHBondContact OE1-CB 3.41Å; E211-E275 HydrophobicContact CB-CG 3.98Å; E211-E275 HydrophobicContact CG-CG 4.16Å
212	D	83.8	Confident	80.8	Confident	56 Å²	56	59 Å²	59	30%	0.299	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-42.3	177.7	-62.3	-45.3	0	0	0	111.8	V208 S209 L214 R215 Q216	V208-D212 HydrophobicContact CG1-CB 4.44Å; S209-D212 WeakPolarHBondContact CB-OD2 3.33Å; S209-D212 PolarHBondContact N-OD2 3.48Å; S209-D212 VanDerWaalsContact N-OD2 3.08Å; S209-D212 PolarHBondContact O-N 3.04Å; S209-D212 VanDerWaalsContact O-N 3.1Å; S209-D212 PolarHBondContact OG-N 3.3Å; S209-D212 VanDerWaalsContact OG-N 3.11Å; S209-D212 PolarHBondContact OG-OD2 3.28Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 3.25Å; D212-R215 PolarHBondContact O-N 3.14Å; D212-R215 IonicContact OD1-NH1 3.89Å; D212-Q216 WeakPolarHBondContact O-CB 2.93Å; D212-Q216 WeakPolarHBondContact O-CG 2.84Å; D212-Q216 PolarHBondContact O-N 3.33Å
213	G	86.1	Confident	81.3	Confident	13 Å²	13	57.6 Å²	57.6	13%	0.134	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-43.6	173.4	0	0	0	0	0	111.9	S209 R215 Q216 L217	S209-G213 PolarHBondContact O-N 3.05Å; G213-R215 PolarHBondContact O-N 2.88Å; G213-Q216 PolarHBondContact O-N 3.46Å; G213-L217 WeakPolarHBondContact O-CB 2.95Å; G213-L217 PolarHBondContact O-N 3.38Å
214	L	89.4	Confident	82	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-37.9	176.8	-176	62.9	0	0	0	112.5	A210 E211 D212 L218 C278 L279 L282 I303 L307	A210-L214 PolarHBondContact O-N 3.45Å; A210-L214 VanDerWaalsContact O-N 3.09Å; E211-L214 PolarHBondContact O-N 2.86Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 3.25Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 3.14Å; L214-C278 HydrophobicContact CD2-CB 3.41Å; L214-C278 VanDerWaalsContact CD2-CB 3.41Å; L214-C278 HydrophobicContact CG-CB 3.73Å; L214-L279 HydrophobicContact CD1-CD2 4.26Å; L214-L279 HydrophobicContact CD2-CD2 4.18Å; L214-L279 HydrophobicContact CD2-CG 3.9Å; L214-L282 HydrophobicContact CD1-CD2 3.76Å; L214-I303 HydrophobicContact CB-CG2 4.23Å; L214-I303 HydrophobicContact CD1-CG2 4.47Å; L214-L307 HydrophobicContact CD2-CD2 4.17Å
215	R	88.8	Confident	82.8	Confident	29 Å²	29	56.1 Å²	56.1	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-68.2	-43.9	174.8	-75.8	-166	-177	103.1	1.6	112.6	E211 D212 G213 L217 L218 A219 L238 E240	E211-R215 PolarHBondContact O-N 3.01Å; E211-R215 IonicContact OE1-CZ 2.64Å; E211-R215 IonicContact OE1-NH1 3.83Å; E211-R215 PolarHBondContact OE1-NH1 3.39Å; E211-R215 IonicContact OE1-NH2 2.66Å; E211-R215 PolarHBondContact OE1-NH2 3.13Å; D212-R215 PolarHBondContact O-N 3.14Å; D212-R215 IonicContact OD1-NH1 3.89Å; G213-R215 PolarHBondContact O-N 2.88Å; R215-L217 VanDerWaalsContact C-N 3.27Å; R215-L217 PolarHBondContact O-N 3.3Å; R215-L218 PolarHBondContact O-N 3.47Å; R215-A219 WeakPolarHBondContact O-CB 2.99Å; R215-A219 PolarHBondContact O-N 2.8Å; R215-L238 HydrophobicContact CB-CD2 4.26Å; R215-L238 WeakPolarHBondContact O-CD2 3.45Å; R215-E240 PolarHBondContact NH2-O 3.5Å
216	Q	90.1	Very high	83.6	Confident	136 Å²	136	49 Å²	49	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-59.6	-42.6	176	-73.6	176.7	0	0	0	110.8	D212 G213 A219 S220	D212-Q216 WeakPolarHBondContact O-CB 2.93Å; D212-Q216 WeakPolarHBondContact O-CG 2.84Å; D212-Q216 PolarHBondContact O-N 3.33Å; G213-Q216 PolarHBondContact O-N 3.46Å; Q216-A219 PolarHBondContact O-N 2.95Å; Q216-S220 PolarHBondContact O-N 2.72Å; Q216-S220 VanDerWaalsContact O-N 3.12Å
217	L	92.6	Very high	84.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-50.8	173.2	-178.2	65.6	0	0	0	111.1	G213 R215 A219 S220 L221 L282 I295 N298 I303	G213-L217 WeakPolarHBondContact O-CB 2.95Å; G213-L217 PolarHBondContact O-N 3.38Å; R215-L217 VanDerWaalsContact C-N 3.27Å; R215-L217 PolarHBondContact O-N 3.3Å; L217-A219 PolarHBondContact O-N 3.33Å; L217-S220 WeakPolarHBondContact O-CB 3.36Å; L217-S220 PolarHBondContact O-N 2.83Å; L217-S220 PolarHBondContact O-OG 3.49Å; L217-L221 WeakPolarHBondContact O-CG 3.36Å; L217-L282 HydrophobicContact CD2-CD1 4.17Å; L217-L282 HydrophobicContact CD2-CD2 4.1Å; L217-I295 HydrophobicContact CD2-CG2 4.44Å; L217-N298 HydrophobicContact CD1-CB 3.64Å; L217-I303 HydrophobicContact CB-CD1 4.22Å; L217-I303 HydrophobicContact CD2-CD1 4.37Å
218	L	91.9	Very high	86.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-41.8	177.9	-76.5	172.9	0	0	0	113.2	L214 R215 S220 L221 L238 C278 A281 L282	L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 3.14Å; R215-L218 PolarHBondContact O-N 3.47Å; L218-S220 PolarHBondContact O-N 2.85Å; L218-L221 HydrophobicContact CD2-CD1 4.39Å; L218-L221 PolarHBondContact O-N 3.43Å; L218-L221 VanDerWaalsContact O-N 3.14Å; L218-L238 HydrophobicContact CB-CD2 4.13Å; L218-C278 HydrophobicContact CD1-CB 3.53Å; L218-C278 WeakPolarHBondContact CD1-O 3.46Å; L218-A281 HydrophobicContact CD1-CB 4.24Å; L218-A281 HydrophobicContact CD2-CB 3.98Å; L218-L282 HydrophobicContact CD2-CB 3.94Å; L218-L282 HydrophobicContact CD2-CD1 4.07Å
219	A	91.3	Very high	86.9	Confident	67 Å²	67	44.6 Å²	44.6	55%	0.554	25%	0.245	S	C	*	.	H	α-helix	trans	-63.8	-25.2	178.9	0	0	0	0	0	112.7	R215 Q216 L217 L221 L238	R215-A219 WeakPolarHBondContact O-CB 2.99Å; R215-A219 PolarHBondContact O-N 2.8Å; Q216-A219 PolarHBondContact O-N 2.95Å; L217-A219 PolarHBondContact O-N 3.33Å; A219-L221 VanDerWaalsContact C-N 3.32Å; A219-L238 HydrophobicContact CB-CD1 4.33Å; A219-L238 HydrophobicContact CB-CD2 4.09Å
220	S	92.9	Very high	87.2	Confident	46 Å²	46	42.8 Å²	42.8	32%	0.322	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.7	176.7	79.5	0	0	0	0	114.2	Q216 L217 L218 N298	Q216-S220 PolarHBondContact O-N 2.72Å; Q216-S220 VanDerWaalsContact O-N 3.12Å; L217-S220 WeakPolarHBondContact O-CB 3.36Å; L217-S220 PolarHBondContact O-N 2.83Å; L217-S220 PolarHBondContact O-OG 3.49Å; L218-S220 PolarHBondContact O-N 2.85Å; S220-N298 WeakPolarHBondContact CB-ND2 3.14Å; S220-N298 PolarHBondContact OG-ND2 2.94Å
221	L	94.1	Very high	87.5	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	24%	0.243	C	C	.	.	S	Bend	trans	-86.7	139.2	-173.9	-59	175.5	0	0	0	111.4	L217 L218 A219 L282 H285 H291 R294 I295	L217-L221 WeakPolarHBondContact O-CG 3.36Å; L218-L221 HydrophobicContact CD2-CD1 4.39Å; L218-L221 PolarHBondContact O-N 3.43Å; L218-L221 VanDerWaalsContact O-N 3.14Å; A219-L221 VanDerWaalsContact C-N 3.32Å; L221-L282 HydrophobicContact CD1-CD1 3.9Å; L221-H285 HydrophobicContact CD1-CB 3.69Å; L221-H291 HydrophobicContact CD2-CB 4.45Å; L221-R294 HydrophobicContact CD2-CB 4Å; L221-I295 HydrophobicContact CD1-CD1 4.24Å; L221-I295 HydrophobicContact CD1-CG1 3.96Å; L221-I295 HydrophobicContact CD2-CG1 3.82Å
222	P	92	Very high	87.5	Confident	21 Å²	21	50 Å²	50	14%	0.136	26%	0.261	C	S	.	.			trans	-73.5	139.3	-176.4	27.5	-26.3	0	0	0	111.1	H291	P222-H291 VanDerWaalsContact CG-NE2 3.3Å; P222-H291 WeakPolarHBondContact CG-NE2 3.34Å; P222-H291 PolarHBondContact O-CE1 3.31Å; P222-H291 PolarHBondContact O-NE2 2.86Å
223	L	89.1	Confident	87.3	Confident	70 Å²	70	47.7 Å²	47.7	37%	0.366	25%	0.248	S	C	.	.	S	Bend	trans	-87.5	-16	178.3	-66.3	-177.7	0	0	0	112.9	E225 V226 Q231 T234	L223-E225 VanDerWaalsContact C-N 3.32Å; L223-E225 PolarHBondContact O-N 3.49Å; L223-V226 VanDerWaalsContact O-CG2 3.26Å; L223-V226 WeakPolarHBondContact O-CG2 3.35Å; L223-Q231 HydrophobicContact CB-CG 4.17Å; L223-Q231 WeakPolarHBondContact O-CG 3.31Å; L223-Q231 PolarHBondContact O-NE2 3.2Å; L223-T234 HydrophobicContact CD2-CG2 3.89Å
224	S	87.5	Confident	87.3	Confident	98 Å²	98	47.1 Å²	47.1	69%	0.685	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.4	-174.9	48.8	0	0	0	0	114.3
225	E	85.6	Confident	87.1	Confident	93 Å²	93	48.9 Å²	48.9	44%	0.435	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.3	-173	-62.5	177.5	-150	0	0	113	L223 V288 S290 H291	L223-E225 VanDerWaalsContact C-N 3.32Å; L223-E225 PolarHBondContact O-N 3.49Å; E225-V288 HydrophobicContact CB-CG1 4.36Å; E225-S290 WeakPolarHBondContact OE2-CB 3.5Å; E225-S290 PolarHBondContact OE2-OG 3.11Å; E225-H291 IonicContact OE2-NE2 2.57Å
226	V	85.4	Confident	86.6	Confident	14 Å²	14	50 Å²	50	9%	0.085	26%	0.262	C	S	.	.	S	Bend	trans	-111.4	156.2	177.3	-72.6	0	0	0	0	110.4	L223 V230 Q231 V288	L223-V226 VanDerWaalsContact O-CG2 3.26Å; L223-V226 WeakPolarHBondContact O-CG2 3.35Å; V226-V230 HydrophobicContact CB-CB 3.9Å; V226-V230 HydrophobicContact CB-CG1 3.68Å; V226-V230 HydrophobicContact CG1-CG1 3.91Å; V226-V230 HydrophobicContact CG2-CB 4.24Å; V226-V230 HydrophobicContact CG2-CG1 3.84Å; V226-Q231 HydrophobicContact CG2-CG 3.93Å; V226-Q231 PolarHBondContact O-NE2 3.23Å; V226-V288 HydrophobicContact CG1-CG2 3.89Å
227	D	81.4	Confident	86.1	Confident	43 Å²	43	43.7 Å²	43.7	23%	0.23	23%	0.233	C	C	.	.			trans	-67.8	165.8	178.9	64.4	76.9	0	0	0	113.8	C229 V230 Q231 R473	D227-C229 PolarHBondContact O-N 2.97Å; D227-C229 WeakPolarHBondContact OD1-CA 3.43Å; D227-C229 VanDerWaalsContact OD1-CB 3.29Å; D227-C229 WeakPolarHBondContact OD1-CB 3.36Å; D227-C229 PolarHBondContact OD1-N 2.96Å; D227-V230 PolarHBondContact O-N 2.86Å; D227-V230 WeakPolarHBondContact OD1-CG2 3.41Å; D227-V230 PolarHBondContact OD1-N 3.16Å; D227-V230 WeakPolarHBondContact OD2-CG2 3.44Å; D227-Q231 VanDerWaalsContact O-CG 3.3Å; D227-Q231 WeakPolarHBondContact O-CG 3.34Å; D227-Q231 PolarHBondContact O-N 3.12Å; D227-R473 IonicContact OD1-CZ 2.65Å; D227-R473 IonicContact OD1-NH1 3.01Å; D227-R473 PolarHBondContact OD1-NH1 2.9Å; D227-R473 IonicContact OD1-NH2 3.59Å; D227-R473 IonicContact OD2-CZ 3.91Å; D227-R473 IonicContact OD2-NH1 2.71Å; D227-R473 PolarHBondContact OD2-NH1 3.22Å; D227-R473 IonicContact OD2-NH2 2.94Å; D227-R473 PolarHBondContact OD2-NH2 3.37Å
228	R	83.8	Confident	85.6	Confident	178 Å²	178	46.5 Å²	46.5	67%	0.672	25%	0.248	S	C	*	.	H	α-helix	trans	-59.4	-31.6	-177.6	-66.4	-176.7	177.6	-177.3	-1.3	113.8	Y232 A469	R228-Y232 WeakPolarHBondContact O-CB 3.41Å; R228-Y232 PolarHBondContact O-N 2.81Å; R228-A469 HydrophobicContact CB-CB 3.77Å
229	C	79.9	Confident	84.7	Confident	3 Å²	3	55 Å²	55	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-71.5	-46.1	177.9	-66	0	0	0	0	110.8	D227 Q231 Y232 F233 C467 D470	D227-C229 PolarHBondContact O-N 2.97Å; D227-C229 WeakPolarHBondContact OD1-CA 3.43Å; D227-C229 VanDerWaalsContact OD1-CB 3.29Å; D227-C229 WeakPolarHBondContact OD1-CB 3.36Å; D227-C229 PolarHBondContact OD1-N 2.96Å; C229-Q231 VanDerWaalsContact C-N 3.3Å; C229-Q231 PolarHBondContact O-N 3.49Å; C229-Y232 WeakPolarHBondContact O-CB 3.4Å; C229-Y232 PolarHBondContact O-N 3.29Å; C229-F233 HydrophobicContact CB-CD2 4.33Å; C229-F233 HydrophobicContact CB-CE2 4.14Å; C229-F233 WeakPolarHBondContact O-CD2 3.33Å; C229-F233 PolarHBondContact O-N 3.29Å; C229-C467 WeakPolarHBondContact CA-SG 3.43Å; C229-C467 HydrophobicContact CB-CB 3.89Å; C229-C467 WeakPolarHBondContact CB-SG 3.11Å; C229-C467 WeakPolarHBondContact SG-CB 3.2Å; C229-C467 CovalentContact SG-SG 2.03Å; C229-C467 PolarHBondContact SG-SG 3.01Å; C229-D470 VanDerWaalsContact SG-CB 3.52Å
230	V	83.3	Confident	83.3	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-43.2	174.2	177.2	0	0	0	0	109.8	V226 D227 Y232 F233 T234 Q284	V226-V230 HydrophobicContact CB-CB 3.9Å; V226-V230 HydrophobicContact CB-CG1 3.68Å; V226-V230 HydrophobicContact CG1-CG1 3.91Å; V226-V230 HydrophobicContact CG2-CB 4.24Å; V226-V230 HydrophobicContact CG2-CG1 3.84Å; D227-V230 PolarHBondContact O-N 2.86Å; D227-V230 WeakPolarHBondContact OD1-CG2 3.41Å; D227-V230 PolarHBondContact OD1-N 3.16Å; D227-V230 WeakPolarHBondContact OD2-CG2 3.44Å; V230-Y232 PolarHBondContact O-N 2.8Å; V230-F233 PolarHBondContact O-N 2.84Å; V230-T234 VanDerWaalsContact O-CB 3.23Å; V230-T234 WeakPolarHBondContact O-CB 3.11Å; V230-T234 PolarHBondContact O-N 3.44Å; V230-T234 PolarHBondContact O-OG1 2.96Å; V230-Q284 HydrophobicContact CB-CB 4.46Å; V230-Q284 HydrophobicContact CG1-CB 3.97Å; V230-Q284 HydrophobicContact CG2-CB 3.57Å; V230-Q284 HydrophobicContact CG2-CG 3.91Å
231	Q	86.5	Confident	81.4	Confident	65 Å²	65	54 Å²	54	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-57.5	-47.2	173.9	-65.3	173.8	19.8	0	0	112.5	L223 V226 D227 C229 S235	L223-Q231 HydrophobicContact CB-CG 4.17Å; L223-Q231 WeakPolarHBondContact O-CG 3.31Å; L223-Q231 PolarHBondContact O-NE2 3.2Å; V226-Q231 HydrophobicContact CG2-CG 3.93Å; V226-Q231 PolarHBondContact O-NE2 3.23Å; D227-Q231 VanDerWaalsContact O-CG 3.3Å; D227-Q231 WeakPolarHBondContact O-CG 3.34Å; D227-Q231 PolarHBondContact O-N 3.12Å; C229-Q231 VanDerWaalsContact C-N 3.3Å; C229-Q231 PolarHBondContact O-N 3.49Å; Q231-S235 WeakPolarHBondContact O-CB 3.04Å; Q231-S235 PolarHBondContact O-N 3.42Å; Q231-S235 PolarHBondContact O-OG 2.76Å
232	Y	82.1	Confident	79.4	Confident	104 Å²	104	57.6 Å²	57.6	41%	0.408	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-49.4	178.6	172.7	-100.2	0	0	0	111.4	R228 C229 V230 S235 L236 P468	R228-Y232 WeakPolarHBondContact O-CB 3.41Å; R228-Y232 PolarHBondContact O-N 2.81Å; C229-Y232 WeakPolarHBondContact O-CB 3.4Å; C229-Y232 PolarHBondContact O-N 3.29Å; V230-Y232 PolarHBondContact O-N 2.8Å; Y232-S235 WeakPolarHBondContact O-CB 3.36Å; Y232-S235 PolarHBondContact O-N 3.36Å; Y232-L236 PolarHBondContact O-N 3.39Å; Y232-P468 HydrophobicContact CE2-CG 4.44Å
233	F	79.9	Confident	77	Confident	7 Å²	7	64.8 Å²	64.8	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-77.5	-30.4	-175.5	-66.8	-65.2	0	0	0	114.1	C229 V230 S235 L236 A237 W463 M464 C467	C229-F233 HydrophobicContact CB-CD2 4.33Å; C229-F233 HydrophobicContact CB-CE2 4.14Å; C229-F233 WeakPolarHBondContact O-CD2 3.33Å; C229-F233 PolarHBondContact O-N 3.29Å; V230-F233 PolarHBondContact O-N 2.84Å; F233-S235 VanDerWaalsContact C-N 3.29Å; F233-L236 HydrophobicContact CD1-CD2 4.17Å; F233-L236 WeakPolarHBondContact O-CB 3.21Å; F233-L236 PolarHBondContact O-N 3.4Å; F233-A237 WeakPolarHBondContact O-CB 3.27Å; F233-A237 PolarHBondContact O-N 3.2Å; F233-W463 HydrophobicContact CB-CD2 4.15Å; F233-W463 HydrophobicContact CB-CE3 4.12Å; F233-W463 HydrophobicContact CB-CH2 3.19Å; F233-W463 HydrophobicContact CB-CZ2 3.1Å; F233-W463 HydrophobicContact CB-CZ3 3.66Å; F233-W463 AromaticContact CD1-CD2 3.95Å; F233-W463 HydrophobicContact CD1-CD2 3.95Å; F233-W463 AromaticContact CD1-CE3 3.79Å; F233-W463 HydrophobicContact CD1-CE3 3.79Å; F233-W463 HydrophobicContact CD1-CH2 4.39Å; F233-W463 HydrophobicContact CD1-CZ2 4.42Å; F233-W463 HydrophobicContact CD1-CZ3 4.02Å; F233-W463 HydrophobicContact CD2-CD2 4.23Å; F233-W463 AromaticContact CD2-CE2 3.8Å; F233-W463 HydrophobicContact CD2-CZ2 4.16Å; F233-W463 AromaticContact CD2-NE1 3.81Å; F233-W463 HydrophobicContact CE1-CD2 4.48Å; F233-W463 HydrophobicContact CE1-CE3 4.5Å; F233-W463 WeakPolarHBondContact CE1-O 3.24Å; F233-W463 AromaticContact CG-CD2 3.87Å; F233-W463 HydrophobicContact CG-CD2 3.87Å; F233-W463 AromaticContact CG-CE2 3.61Å; F233-W463 HydrophobicContact CG-CE3 4.03Å; F233-W463 AromaticContact CG-CH2 3.98Å; F233-W463 HydrophobicContact CG-CH2 3.98Å; F233-W463 AromaticContact CG-CZ2 3.7Å; F233-W463 HydrophobicContact CG-CZ2 3.7Å; F233-W463 HydrophobicContact CG-CZ3 4.07Å; F233-W463 WeakPolarHBondContact CZ-O 3.27Å; F233-M464 HydrophobicContact CD2-CG 4.19Å; F233-M464 HydrophobicContact CE2-CB 4.35Å; F233-M464 HydrophobicContact CE2-CG 3.67Å; F233-C467 HydrophobicContact CE2-CB 3.86Å; F233-C467 HydrophobicContact CZ-CB 4.03Å
234	T	86	Confident	74.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-43.4	168.1	-63.1	0	0	0	0	109.6	L223 V230 L236 A237 L238 H285	L223-T234 HydrophobicContact CD2-CG2 3.89Å; V230-T234 VanDerWaalsContact O-CB 3.23Å; V230-T234 WeakPolarHBondContact O-CB 3.11Å; V230-T234 PolarHBondContact O-N 3.44Å; V230-T234 PolarHBondContact O-OG1 2.96Å; T234-L236 VanDerWaalsContact C-N 3.31Å; T234-L236 PolarHBondContact O-N 2.89Å; T234-A237 PolarHBondContact O-N 2.93Å; T234-L238 HydrophobicContact CG2-CD1 4.17Å; T234-L238 VanDerWaalsContact O-CG 3.29Å; T234-L238 WeakPolarHBondContact O-CG 3.39Å; T234-L238 PolarHBondContact O-N 2.79Å; T234-H285 PolarHBondContact OG1-NE2 3.46Å
235	S	84	Confident	72.4	Confident	38 Å²	38	60.7 Å²	60.7	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-38.9	174.2	-57.4	0	0	0	0	112.1	Q231 Y232 F233 L238 R239	Q231-S235 WeakPolarHBondContact O-CB 3.04Å; Q231-S235 PolarHBondContact O-N 3.42Å; Q231-S235 PolarHBondContact O-OG 2.76Å; Y232-S235 WeakPolarHBondContact O-CB 3.36Å; Y232-S235 PolarHBondContact O-N 3.36Å; F233-S235 VanDerWaalsContact C-N 3.29Å; S235-L238 PolarHBondContact O-N 3.13Å; S235-R239 WeakPolarHBondContact O-CB 3.42Å; S235-R239 WeakPolarHBondContact O-CD 3.48Å; S235-R239 WeakPolarHBondContact O-CG 3.5Å; S235-R239 PolarHBondContact O-N 3.1Å
236	L	78.8	Confident	70.3	Confident	52 Å²	52	59.9 Å²	59.9	27%	0.272	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-47.3	175.8	-175.4	65.7	0	0	0	111.5	Y232 F233 T234 L238 R239 E240	Y232-L236 PolarHBondContact O-N 3.39Å; F233-L236 HydrophobicContact CD1-CD2 4.17Å; F233-L236 WeakPolarHBondContact O-CB 3.21Å; F233-L236 PolarHBondContact O-N 3.4Å; T234-L236 VanDerWaalsContact C-N 3.31Å; T234-L236 PolarHBondContact O-N 2.89Å; L236-L238 VanDerWaalsContact C-N 3.26Å; L236-L238 PolarHBondContact O-N 3.1Å; L236-R239 PolarHBondContact O-N 2.81Å; L236-R239 VanDerWaalsContact O-N 3.11Å; L236-E240 HydrophobicContact CD1-CG 3.84Å; L236-E240 HydrophobicContact CG-CG 4.13Å; L236-E240 WeakPolarHBondContact O-CB 3.43Å; L236-E240 WeakPolarHBondContact O-CG 3.44Å; L236-E240 PolarHBondContact O-N 3.41Å
237	A	80.1	Confident	68.1	Low	4 Å²	4	63.4 Å²	63.4	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-34.9	178.5	0	0	0	0	0	112.6	F233 T234	F233-A237 WeakPolarHBondContact O-CB 3.27Å; F233-A237 PolarHBondContact O-N 3.2Å; T234-A237 PolarHBondContact O-N 2.93Å
238	L	81.8	Confident	66	Low	62 Å²	62	69 Å²	69	33%	0.325	35%	0.353	S	S	.	.	H	α-helix	trans	-76.8	-29	175.5	-66.8	174.4	0	0	0	113.3	R215 L218 A219 T234 S235 L236	R215-L238 HydrophobicContact CB-CD2 4.26Å; R215-L238 WeakPolarHBondContact O-CD2 3.45Å; L218-L238 HydrophobicContact CB-CD2 4.13Å; A219-L238 HydrophobicContact CB-CD1 4.33Å; A219-L238 HydrophobicContact CB-CD2 4.09Å; T234-L238 HydrophobicContact CG2-CD1 4.17Å; T234-L238 VanDerWaalsContact O-CG 3.29Å; T234-L238 WeakPolarHBondContact O-CG 3.39Å; T234-L238 PolarHBondContact O-N 2.79Å; S235-L238 PolarHBondContact O-N 3.13Å; L236-L238 VanDerWaalsContact C-N 3.26Å; L236-L238 PolarHBondContact O-N 3.1Å
239	R	72.7	Confident	64	Low	179 Å²	179	67.3 Å²	67.3	68%	0.675	35%	0.346	S	S	*	.	H	α-helix	trans	-84.2	-33.3	-178.6	-76.1	172.7	-178.6	-169.4	0.9	113.9	S235 L236 S241 S244	S235-R239 WeakPolarHBondContact O-CB 3.42Å; S235-R239 WeakPolarHBondContact O-CD 3.48Å; S235-R239 WeakPolarHBondContact O-CG 3.5Å; S235-R239 PolarHBondContact O-N 3.1Å; L236-R239 PolarHBondContact O-N 2.81Å; L236-R239 VanDerWaalsContact O-N 3.11Å; R239-S241 PolarHBondContact O-N 3.31Å; R239-S244 WeakPolarHBondContact O-CB 3.25Å
240	E	61.7	Low	61.9	Low	54 Å²	54	71.5 Å²	71.5	25%	0.252	39%	0.39	S	S	.	.			trans	-73.7	68.4	180	-68.7	-81.9	166.6	0	0	110.7	R215 L236 R249	R215-E240 PolarHBondContact NH2-O 3.5Å; L236-E240 HydrophobicContact CD1-CG 3.84Å; L236-E240 HydrophobicContact CG-CG 4.13Å; L236-E240 WeakPolarHBondContact O-CB 3.43Å; L236-E240 WeakPolarHBondContact O-CG 3.44Å; L236-E240 PolarHBondContact O-N 3.41Å; E240-R249 IonicContact OE1-NH2 3.48Å; E240-R249 PolarHBondContact OE1-NH2 3.5Å; E240-R249 IonicContact OE2-NH2 3.91Å
241	S	54.5	Low	59.4	Low	40 Å²	40	73.7 Å²	73.7	28%	0.28	41%	0.412	S	S	.	.			trans	-96	158.7	169.8	87.2	0	0	0	0	111.3	R239 Q243 S244	R239-S241 PolarHBondContact O-N 3.31Å; S241-Q243 PolarHBondContact O-N 3.08Å; S241-Q243 PolarHBondContact OG-N 2.95Å; S241-S244 PolarHBondContact O-N 3.16Å; S241-S244 VanDerWaalsContact O-N 3.16Å
242	N	50.4	Low	56.8	Low	81 Å²	81	78.4 Å²	78.4	43%	0.433	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-14.8	178.1	-75.2	-27.1	0	0	0	115.1	S268 V269	N242-S268 VanDerWaalsContact OD1-CB 3.3Å; N242-S268 WeakPolarHBondContact OD1-CB 3.45Å; N242-V269 PolarHBondContact OD1-N 3.22Å; N242-V269 PolarHBondContact OD1-O 3.46Å
243	Q	43.3	Very low	54.4	Low	172 Å²	172	82.7 Å²	82.7	80%	0.804	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-25.1	-179.7	-74.2	179.2	-13.5	0	0	114.3	S241 M245	S241-Q243 PolarHBondContact O-N 3.08Å; S241-Q243 PolarHBondContact OG-N 2.95Å; Q243-M245 VanDerWaalsContact C-N 3.34Å; Q243-M245 PolarHBondContact O-N 3.03Å
244	S	40.6	Very low	51.9	Low	46 Å²	46	87.8 Å²	87.8	32%	0.322	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.3	-173.9	-176.2	0	0	0	0	113.9	R239 S241	R239-S244 WeakPolarHBondContact O-CB 3.25Å; S241-S244 PolarHBondContact O-N 3.16Å; S241-S244 VanDerWaalsContact O-N 3.16Å
245	M	39.7	Very low	49.3	Very low	36 Å²	36	95.8 Å²	95.8	18%	0.177	53%	0.525	C	S	.	.	H	α-helix	trans	-82.1	-27.9	-169	-95.2	-59.4	-48.8	0	0	114.3	Q243 A247 R249 V269	Q243-M245 VanDerWaalsContact C-N 3.34Å; Q243-M245 PolarHBondContact O-N 3.03Å; M245-A247 VanDerWaalsContact C-N 3.32Å; M245-A247 PolarHBondContact O-N 3.25Å; M245-R249 HydrophobicContact CE-CB 4.42Å; M245-R249 HydrophobicContact CE-CG 3.81Å; M245-R249 VanDerWaalsContact CE-NH1 3.33Å; M245-R249 HydrophobicContact SD-CG 4.34Å; M245-R249 PolarHBondContact SD-NH2 3.4Å; M245-V269 HydrophobicContact CG-CG2 4.47Å
246	A	40.9	Very low	46.8	Very low	76 Å²	76	98.1 Å²	98.1	63%	0.628	55%	0.554	S	S	*	*	H	α-helix	trans	-71.9	-25.7	177.1	0	0	0	0	0	112.9
247	A	38.7	Very low	44.5	Very low	89 Å²	89	98.8 Å²	98.8	74%	0.736	57%	0.574	S	S	*	*	H	α-helix	trans	-92.1	-19.7	-172.4	0	0	0	0	0	114.6	M245	M245-A247 VanDerWaalsContact C-N 3.32Å; M245-A247 PolarHBondContact O-N 3.25Å
248	Q	38.3	Very low	42.2	Very low	160 Å²	160	106.2 Å²	106.2	75%	0.748	61%	0.613	S	S	*	*	H	α-helix	trans	-112.6	-6.2	-172.1	-71.8	-162.7	-12.4	0	0	116
249	R	40.5	Very low	39.7	Very low	143 Å²	143	107.2 Å²	107.2	54%	0.54	64%	0.638	S	S	.	*			trans	-110.5	52.8	179.9	-63.4	-151.9	-165.6	143.6	6.2	114.1	E240 M245 G251	E240-R249 IonicContact OE1-NH2 3.48Å; E240-R249 PolarHBondContact OE1-NH2 3.5Å; E240-R249 IonicContact OE2-NH2 3.91Å; M245-R249 HydrophobicContact CE-CB 4.42Å; M245-R249 HydrophobicContact CE-CG 3.81Å; M245-R249 VanDerWaalsContact CE-NH1 3.33Å; M245-R249 HydrophobicContact SD-CG 4.34Å; M245-R249 PolarHBondContact SD-NH2 3.4Å; R249-G251 PolarHBondContact O-N 3.32Å
250	G	35.1	Very low	37.8	Very low	91 Å²	91	106.2 Å²	106.2	94%	0.938	65%	0.646	S	S	*	*			trans	-80.4	28.7	153.4	0	0	0	0	0	113
251	G	32.5	Very low	36.5	Very low	47 Å²	47	109.6 Å²	109.6	49%	0.485	67%	0.672	S	S	.	*	S	Bend	trans	-123.2	119.1	-174.2	0	0	0	0	0	111.8	R249 W253	R249-G251 PolarHBondContact O-N 3.32Å; G251-W253 PolarHBondContact O-N 3.01Å
252	L	30.3	Very low	35.4	Very low	164 Å²	164	117.1 Å²	117.1	86%	0.859	70%	0.696	S	S	*	*			trans	-58.8	117.8	-179.7	-154.7	81.3	0	0	0	111.3
253	W	32.7	Very low	35	Very low	195 Å²	195	117.8 Å²	117.8	74%	0.739	71%	0.713	S	S	*	*			trans	-89.6	114.4	165.2	-81.9	82.5	0	0	0	109.5	G251 F255	G251-W253 PolarHBondContact O-N 3.01Å; W253-F255 HydrophobicContact CE3-CD2 4.37Å; W253-F255 AromaticContact CE3-CE2 3.84Å; W253-F255 HydrophobicContact CE3-CE2 3.84Å; W253-F255 HydrophobicContact CZ3-CE2 4.34Å; W253-F255 PolarHBondContact O-N 2.9Å
254	C	27.5	Very low	34.6	Very low	113 Å²	113	119 Å²	119	76%	0.764	72%	0.718	S	S	*	*			trans	-85.6	91.8	165.3	-65.8	0	0	0	0	108.9
255	F	31.1	Very low	34.2	Very low	170 Å²	170	121.2 Å²	121.2	75%	0.746	73%	0.734	S	S	*	*			trans	-84.4	134.6	150.7	-86.9	-88.1	0	0	0	107.6	W253 G257	W253-F255 HydrophobicContact CE3-CD2 4.37Å; W253-F255 AromaticContact CE3-CE2 3.84Å; W253-F255 HydrophobicContact CE3-CE2 3.84Å; W253-F255 HydrophobicContact CZ3-CE2 4.34Å; W253-F255 PolarHBondContact O-N 2.9Å; F255-G257 PolarHBondContact O-N 2.86Å
256	G	32.4	Very low	34.1	Very low	86 Å²	86	127.1 Å²	127.1	89%	0.887	77%	0.766	S	S	*	*	S	Bend	trans	-53.9	128.9	178.2	0	0	0	0	0	111.6
257	G	30.8	Very low	34.3	Very low	67 Å²	67	128.1 Å²	128.1	69%	0.691	76%	0.764	S	S	*	*	S	Bend	trans	99.5	97.2	169.2	0	0	0	0	0	115	F255	F255-G257 PolarHBondContact O-N 2.86Å
258	N	29.9	Very low	34.8	Very low	159 Å²	159	127.2 Å²	127.2	85%	0.85	75%	0.752	S	S	*	*			trans	56.2	86	163.6	-60	-11.5	0	0	0	117.2	L260	N258-L260 PolarHBondContact O-N 3.22Å
259	G	30.9	Very low	35.6	Very low	83 Å²	83	121.2 Å²	121.2	86%	0.856	73%	0.727	S	S	*	*			trans	-62.3	118.9	166.3	0	0	0	0	0	111.9
260	L	32	Very low	37	Very low	159 Å²	159	117.9 Å²	117.9	83%	0.832	72%	0.723	S	S	*	*			trans	-107.2	133	163.2	-79.5	167.3	0	0	0	109.3	N258 Y262	N258-L260 PolarHBondContact O-N 3.22Å; L260-Y262 PolarHBondContact O-N 3Å; L260-Y262 VanDerWaalsContact O-N 3.14Å
261	P	34.1	Very low	38.8	Very low	124 Å²	124	115.6 Å²	115.6	81%	0.805	69%	0.693	S	S	*	*			trans	-81.2	93.7	-178.9	32.2	-31	0	0	0	109.7
262	Y	30.8	Very low	41	Very low	198 Å²	198	117.3 Å²	117.3	78%	0.776	69%	0.688	S	S	*	*			trans	-129	65.3	167.1	-156.2	-94.2	0	0	0	110	L260	L260-Y262 PolarHBondContact O-N 3Å; L260-Y262 VanDerWaalsContact O-N 3.14Å
263	A	43.2	Very low	43.3	Very low	95 Å²	95	115.6 Å²	115.6	79%	0.785	67%	0.674	S	S	*	*			trans	-126.3	71.5	-179.2	0	0	0	0	0	110.5
264	Q	34.4	Very low	45.5	Very low	197 Å²	197	106.7 Å²	106.7	92%	0.921	64%	0.642	S	S	*	*	S	Bend	trans	-142.6	-1.6	163.1	-74	-166.6	-18	0	0	115.3
265	S	33.2	Very low	48.2	Very low	94 Å²	94	101.5 Å²	101.5	66%	0.657	61%	0.606	S	S	*	*	S	Bend	trans	-122.7	14.5	-172.7	-146.7	0	0	0	0	116.9
266	L	36.6	Very low	50.7	Low	160 Å²	160	93.7 Å²	93.7	84%	0.838	57%	0.573	S	S	*	*			trans	-131.3	71.5	-179.3	-70.6	168.6	0	0	0	111.1
267	T	44.6	Very low	53.1	Low	96 Å²	96	93.7 Å²	93.7	59%	0.589	55%	0.548	S	S	*	.			trans	-85.9	-4.4	177.9	43.1	0	0	0	0	114.2
268	S	50.1	Low	55.8	Low	71 Å²	71	90.5 Å²	90.5	50%	0.497	52%	0.516	S	S	.	.	S	Bend	trans	-126.3	140.1	175.7	53.2	0	0	0	0	112	N242	N242-S268 VanDerWaalsContact OD1-CB 3.3Å; N242-S268 WeakPolarHBondContact OD1-CB 3.45Å
269	V	55.4	Low	58.7	Low	34 Å²	34	83 Å²	83	21%	0.206	48%	0.475	C	S	.	.			trans	-75.8	132.1	168.7	175.6	0	0	0	0	106.7	N242 M245 S271 K273	N242-V269 PolarHBondContact OD1-N 3.22Å; N242-V269 PolarHBondContact OD1-O 3.46Å; M245-V269 HydrophobicContact CG-CG2 4.47Å; V269-S271 PolarHBondContact O-N 3.13Å; V269-K273 HydrophobicContact CG1-CB 3.78Å
270	P	68.8	Low	61.4	Low	73 Å²	73	80.7 Å²	80.7	47%	0.474	44%	0.443	S	S	.	.			trans	-52.8	132	174.8	-26.1	33	0	0	0	111	E272 K273 A274	P270-E272 PolarHBondContact O-N 2.7Å; P270-E272 VanDerWaalsContact O-N 3.08Å; P270-K273 HydrophobicContact CB-CG 4.46Å; P270-K273 HydrophobicContact CG-CD 4.34Å; P270-K273 WeakPolarHBondContact O-CB 3.25Å; P270-K273 PolarHBondContact O-N 3.43Å; P270-A274 PolarHBondContact O-N 3.3Å
271	S	74.3	Confident	64.1	Low	42 Å²	42	73.1 Å²	73.1	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-50	-38.7	-176.1	177.8	0	0	0	0	112.8	E211 V269 K273 A274 E275 R311	E211-S271 WeakPolarHBondContact OE2-CA 3.36Å; E211-S271 WeakPolarHBondContact OE2-CB 3.49Å; E211-S271 PolarHBondContact OE2-OG 2.59Å; V269-S271 PolarHBondContact O-N 3.13Å; S271-K273 VanDerWaalsContact C-N 3.34Å; S271-K273 PolarHBondContact O-N 3.35Å; S271-A274 PolarHBondContact O-N 2.94Å; S271-E275 WeakPolarHBondContact O-CB 3.29Å; S271-E275 VanDerWaalsContact O-CG 3.28Å; S271-E275 WeakPolarHBondContact O-CG 3.41Å; S271-E275 PolarHBondContact O-N 2.93Å; S271-E275 PolarHBondContact OG-OE1 3.24Å; S271-R311 PolarHBondContact OG-NH2 2.93Å
272	E	78.1	Confident	67	Low	83 Å²	83	67.2 Å²	67.2	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-37.6	175.8	-167.2	-171.6	167.6	0	0	113.9	P270 S276 S314 I317	P270-E272 PolarHBondContact O-N 2.7Å; P270-E272 VanDerWaalsContact O-N 3.08Å; E272-S276 WeakPolarHBondContact O-CB 3.5Å; E272-S276 PolarHBondContact O-N 2.98Å; E272-S314 WeakPolarHBondContact OE1-CB 3.43Å; E272-S314 PolarHBondContact OE1-OG 3.31Å; E272-I317 HydrophobicContact CG-CD1 3.54Å
273	K	77.6	Confident	70	Confident	129 Å²	129	57.9 Å²	57.9	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-69.6	-41.3	177.2	-70	-173.4	-177.2	177.1	0	110.7	V269 P270 S271 S276 F277	V269-K273 HydrophobicContact CG1-CB 3.78Å; P270-K273 HydrophobicContact CB-CG 4.46Å; P270-K273 HydrophobicContact CG-CD 4.34Å; P270-K273 WeakPolarHBondContact O-CB 3.25Å; P270-K273 PolarHBondContact O-N 3.43Å; S271-K273 VanDerWaalsContact C-N 3.34Å; S271-K273 PolarHBondContact O-N 3.35Å; K273-S276 WeakPolarHBondContact O-CB 3.39Å; K273-S276 PolarHBondContact O-N 2.77Å; K273-F277 WeakPolarHBondContact O-CD2 3.39Å; K273-F277 PolarHBondContact O-N 3.49Å
274	A	78.9	Confident	72.2	Confident	7 Å²	7	54.8 Å²	54.8	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-46.2	176.5	0	0	0	0	0	111.7	E211 P270 S271 S276 F277 C278	E211-A274 HydrophobicContact CG-CB 4.19Å; E211-A274 WeakPolarHBondContact OE1-CB 3.41Å; P270-A274 PolarHBondContact O-N 3.3Å; S271-A274 PolarHBondContact O-N 2.94Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.49Å; A274-F277 PolarHBondContact O-N 2.88Å; A274-C278 PolarHBondContact O-N 2.84Å; A274-C278 PolarHBondContact O-SG 3.45Å
275	E	85.8	Confident	75	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-56.4	-44.2	172.4	-70.8	165	178.4	0	0	111.3	E211 S271 F277 C278 L279 L307 R311 I317	E211-E275 HydrophobicContact CB-CG 3.98Å; E211-E275 HydrophobicContact CG-CG 4.16Å; S271-E275 WeakPolarHBondContact O-CB 3.29Å; S271-E275 VanDerWaalsContact O-CG 3.28Å; S271-E275 WeakPolarHBondContact O-CG 3.41Å; S271-E275 PolarHBondContact O-N 2.93Å; S271-E275 PolarHBondContact OG-OE1 3.24Å; E275-F277 PolarHBondContact O-N 3.2Å; E275-C278 PolarHBondContact O-N 2.93Å; E275-L279 WeakPolarHBondContact O-CB 3.42Å; E275-L279 WeakPolarHBondContact O-CG 3.36Å; E275-L279 PolarHBondContact O-N 3.4Å; E275-L307 HydrophobicContact CB-CD1 4.43Å; E275-L307 VanDerWaalsContact CD-CD1 3.48Å; E275-L307 HydrophobicContact CG-CD1 4.04Å; E275-L307 WeakPolarHBondContact OE2-CD1 3.26Å; E275-R311 IonicContact OE1-CZ 3.99Å; E275-R311 IonicContact OE1-NE 3.27Å; E275-R311 IonicContact OE1-NH2 2.84Å; E275-R311 PolarHBondContact OE1-NH2 3.37Å; E275-R311 IonicContact OE2-CZ 3.06Å; E275-R311 IonicContact OE2-NE 2.73Å; E275-R311 PolarHBondContact OE2-NE 3.22Å; E275-R311 IonicContact OE2-NH2 2.73Å; E275-R311 PolarHBondContact OE2-NH2 3.02Å; E275-I317 HydrophobicContact CB-CD1 4.27Å
276	S	83.6	Confident	78	Confident	6 Å²	6	41 Å²	41	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-41.4	177.5	176.4	0	0	0	0	112.7	E272 K273 A274 Q280 K316	E272-S276 WeakPolarHBondContact O-CB 3.5Å; E272-S276 PolarHBondContact O-N 2.98Å; K273-S276 WeakPolarHBondContact O-CB 3.39Å; K273-S276 PolarHBondContact O-N 2.77Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.49Å; S276-Q280 VanDerWaalsContact O-CG 3.28Å; S276-Q280 WeakPolarHBondContact O-CG 3.34Å; S276-Q280 PolarHBondContact O-N 2.88Å; S276-Q280 VanDerWaalsContact O-N 3.08Å; S276-K316 WeakPolarHBondContact OG-CE 3.36Å; S276-K316 PolarHBondContact OG-NZ 3.4Å
277	F	81.7	Confident	80.7	Confident	85 Å²	85	37.6 Å²	37.6	37%	0.373	20%	0.201	S	C	.	.	H	α-helix	trans	-69.5	-42.3	177.7	-74.1	-61.1	0	0	0	111.6	K273 A274 E275 L279 Q280 A281 W463	K273-F277 WeakPolarHBondContact O-CD2 3.39Å; K273-F277 PolarHBondContact O-N 3.49Å; A274-F277 PolarHBondContact O-N 2.88Å; E275-F277 PolarHBondContact O-N 3.2Å; F277-L279 PolarHBondContact O-N 2.85Å; F277-Q280 WeakPolarHBondContact O-CB 3.32Å; F277-Q280 PolarHBondContact O-N 2.89Å; F277-A281 PolarHBondContact O-N 3.32Å; F277-W463 HydrophobicContact CB-CZ3 4.3Å; F277-W463 AromaticContact CD1-CE3 3.82Å; F277-W463 HydrophobicContact CD1-CE3 3.82Å; F277-W463 AromaticContact CD1-CZ3 3.86Å; F277-W463 HydrophobicContact CD1-CZ3 3.86Å; F277-W463 HydrophobicContact CE1-CE3 4.4Å
278	C	88.2	Confident	83	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-44.4	175.9	-67.2	0	0	0	0	111.3	L214 L218 A274 E275 Q280 A281 L282	L214-C278 HydrophobicContact CD2-CB 3.41Å; L214-C278 VanDerWaalsContact CD2-CB 3.41Å; L214-C278 HydrophobicContact CG-CB 3.73Å; L218-C278 HydrophobicContact CD1-CB 3.53Å; L218-C278 WeakPolarHBondContact CD1-O 3.46Å; A274-C278 PolarHBondContact O-N 2.84Å; A274-C278 PolarHBondContact O-SG 3.45Å; E275-C278 PolarHBondContact O-N 2.93Å; C278-Q280 VanDerWaalsContact C-N 3.32Å; C278-Q280 PolarHBondContact O-N 2.95Å; C278-A281 WeakPolarHBondContact O-CB 3.27Å; C278-A281 PolarHBondContact O-N 2.81Å; C278-L282 WeakPolarHBondContact O-CB 3.37Å; C278-L282 PolarHBondContact O-N 3.28Å
279	L	90.8	Very high	84.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-37.8	175.1	-80.2	176.9	0	0	0	112.4	L214 E275 F277 L282 V283 L304 L307 I317 N320 I321	L214-L279 HydrophobicContact CD1-CD2 4.26Å; L214-L279 HydrophobicContact CD2-CD2 4.18Å; L214-L279 HydrophobicContact CD2-CG 3.9Å; E275-L279 WeakPolarHBondContact O-CB 3.42Å; E275-L279 WeakPolarHBondContact O-CG 3.36Å; E275-L279 PolarHBondContact O-N 3.4Å; F277-L279 PolarHBondContact O-N 2.85Å; L279-L282 HydrophobicContact CD2-CD2 4.37Å; L279-L282 PolarHBondContact O-N 2.93Å; L279-V283 VanDerWaalsContact O-CG2 3.31Å; L279-V283 WeakPolarHBondContact O-CG2 3.42Å; L279-V283 PolarHBondContact O-N 2.9Å; L279-L304 HydrophobicContact CD2-CD2 3.7Å; L279-L307 HydrophobicContact CD1-CD2 3.6Å; L279-L307 HydrophobicContact CD2-CD2 4.06Å; L279-L307 HydrophobicContact CG-CD2 3.93Å; L279-I317 HydrophobicContact CD1-CB 4.2Å; L279-I317 HydrophobicContact CD1-CG1 4.21Å; L279-I317 HydrophobicContact CD1-CG2 3.71Å; L279-N320 HydrophobicContact CB-CB 4.19Å; L279-N320 HydrophobicContact CD1-CB 4.39Å; L279-I321 HydrophobicContact CD1-CD1 4.42Å; L279-I321 HydrophobicContact CD1-CG1 3.93Å; L279-I321 HydrophobicContact CD2-CG1 4.04Å
280	Q	87.6	Confident	86.7	Confident	36 Å²	36	36.2 Å²	36.2	17%	0.168	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-40.9	175.5	-77.3	175.9	-18.1	0	0	112.2	S276 F277 C278 Q284 W463	S276-Q280 VanDerWaalsContact O-CG 3.28Å; S276-Q280 WeakPolarHBondContact O-CG 3.34Å; S276-Q280 PolarHBondContact O-N 2.88Å; S276-Q280 VanDerWaalsContact O-N 3.08Å; F277-Q280 WeakPolarHBondContact O-CB 3.32Å; F277-Q280 PolarHBondContact O-N 2.89Å; C278-Q280 VanDerWaalsContact C-N 3.32Å; C278-Q280 PolarHBondContact O-N 2.95Å; Q280-Q284 PolarHBondContact O-N 2.83Å; Q280-W463 HydrophobicContact CB-CD2 4.33Å; Q280-W463 HydrophobicContact CB-CE3 4.5Å; Q280-W463 HydrophobicContact CB-CH2 4.27Å; Q280-W463 HydrophobicContact CB-CZ2 4.21Å; Q280-W463 HydrophobicContact CB-CZ3 4.48Å
281	A	88.9	Confident	88	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-47	170.5	0	0	0	0	0	111.1	L218 F277 C278 V283 Q284 H285 W463	L218-A281 HydrophobicContact CD1-CB 4.24Å; L218-A281 HydrophobicContact CD2-CB 3.98Å; F277-A281 PolarHBondContact O-N 3.32Å; C278-A281 WeakPolarHBondContact O-CB 3.27Å; C278-A281 PolarHBondContact O-N 2.81Å; A281-V283 VanDerWaalsContact C-N 3.3Å; A281-V283 PolarHBondContact O-N 2.78Å; A281-Q284 PolarHBondContact O-N 2.88Å; A281-H285 PolarHBondContact O-CD2 3.08Å; A281-H285 PolarHBondContact O-N 2.78Å; A281-W463 HydrophobicContact CB-CH2 3.94Å; A281-W463 HydrophobicContact CB-CZ2 4.17Å
282	L	94.4	Very high	89	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-37.8	-178.9	-171	63.9	0	0	0	112	L214 L217 L218 L221 C278 L279 Q284 H285 S286 I295 L304 V324	L214-L282 HydrophobicContact CD1-CD2 3.76Å; L217-L282 HydrophobicContact CD2-CD1 4.17Å; L217-L282 HydrophobicContact CD2-CD2 4.1Å; L218-L282 HydrophobicContact CD2-CB 3.94Å; L218-L282 HydrophobicContact CD2-CD1 4.07Å; L221-L282 HydrophobicContact CD1-CD1 3.9Å; C278-L282 WeakPolarHBondContact O-CB 3.37Å; C278-L282 PolarHBondContact O-N 3.28Å; L279-L282 HydrophobicContact CD2-CD2 4.37Å; L279-L282 PolarHBondContact O-N 2.93Å; L282-Q284 VanDerWaalsContact C-N 3.28Å; L282-Q284 PolarHBondContact O-N 2.76Å; L282-H285 PolarHBondContact O-N 2.8Å; L282-S286 WeakPolarHBondContact O-CB 3.47Å; L282-S286 PolarHBondContact O-N 3.42Å; L282-S286 PolarHBondContact O-OG 2.85Å; L282-I295 HydrophobicContact CD1-CD1 3.74Å; L282-I295 HydrophobicContact CD1-CG1 4.03Å; L282-L304 HydrophobicContact CD2-CD2 4.02Å; L282-V324 HydrophobicContact CD2-CG1 4.41Å; L282-V324 HydrophobicContact CD2-CG2 4.36Å; L282-V324 HydrophobicContact CG-CG1 4.44Å; L282-V324 HydrophobicContact CG-CG2 4.2Å
283	V	93.2	Very high	89.7	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-43.2	172.1	168.5	0	0	0	0	110.7	L279 A281 S286 N320 R323 V324 N327	L279-V283 VanDerWaalsContact O-CG2 3.31Å; L279-V283 WeakPolarHBondContact O-CG2 3.42Å; L279-V283 PolarHBondContact O-N 2.9Å; A281-V283 VanDerWaalsContact C-N 3.3Å; A281-V283 PolarHBondContact O-N 2.78Å; V283-S286 PolarHBondContact O-OG 3.49Å; V283-N320 HydrophobicContact CG2-CB 4.22Å; V283-R323 HydrophobicContact CG1-CG 4.3Å; V283-V324 HydrophobicContact CB-CG2 4.35Å; V283-V324 HydrophobicContact CG2-CG2 3.58Å; V283-N327 PolarHBondContact O-ND2 3.47Å
284	Q	90.9	Very high	90.6	Very high	29 Å²	29	28.2 Å²	28.2	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-43.1	178	-55.5	-49.3	-46	0	0	112.2	V230 Q280 A281 L282 S286 K287 M464	V230-Q284 HydrophobicContact CB-CB 4.46Å; V230-Q284 HydrophobicContact CG1-CB 3.97Å; V230-Q284 HydrophobicContact CG2-CB 3.57Å; V230-Q284 HydrophobicContact CG2-CG 3.91Å; Q280-Q284 PolarHBondContact O-N 2.83Å; A281-Q284 PolarHBondContact O-N 2.88Å; L282-Q284 VanDerWaalsContact C-N 3.28Å; L282-Q284 PolarHBondContact O-N 2.76Å; Q284-S286 VanDerWaalsContact C-N 3.29Å; Q284-S286 PolarHBondContact O-N 3.47Å; Q284-K287 WeakPolarHBondContact O-CB 3.19Å; Q284-K287 PolarHBondContact O-N 2.87Å; Q284-K287 VanDerWaalsContact O-N 3.15Å; Q284-M464 HydrophobicContact CG-CE 3.94Å
285	H	93.4	Very high	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-37.8	176.3	-81.5	-92.8	0	0	0	112.1	L221 T234 A281 L282 K287 V288 H291	L221-H285 HydrophobicContact CD1-CB 3.69Å; T234-H285 PolarHBondContact OG1-NE2 3.46Å; A281-H285 PolarHBondContact O-CD2 3.08Å; A281-H285 PolarHBondContact O-N 2.78Å; L282-H285 PolarHBondContact O-N 2.8Å; H285-K287 PolarHBondContact O-N 3.39Å; H285-K287 VanDerWaalsContact O-N 3.14Å; H285-V288 PolarHBondContact O-N 3.1Å; H285-H291 AromaticContact CE1-CE1 3.98Å; H285-H291 AromaticContact CG-ND1 3.73Å; H285-H291 AromaticContact ND1-CE1 3.26Å; H285-H291 PolarHBondContact ND1-CE1 2.98Å; H285-H291 VanDerWaalsContact ND1-CE1 3.26Å; H285-H291 AromaticContact ND1-ND1 3.07Å; H285-H291 PolarHBondContact ND1-ND1 3.5Å; H285-H291 VanDerWaalsContact O-CB 3.28Å; H285-H291 WeakPolarHBondContact O-CB 3.22Å; H285-H291 PolarHBondContact O-ND1 2.98Å
286	S	95.9	Very high	91.9	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.6	178.1	70.4	0	0	0	0	114.3	L282 V283 Q284 V288 C292 N327	L282-S286 WeakPolarHBondContact O-CB 3.47Å; L282-S286 PolarHBondContact O-N 3.42Å; L282-S286 PolarHBondContact O-OG 2.85Å; V283-S286 PolarHBondContact O-OG 3.49Å; Q284-S286 VanDerWaalsContact C-N 3.29Å; Q284-S286 PolarHBondContact O-N 3.47Å; S286-V288 VanDerWaalsContact C-N 3.28Å; S286-C292 PolarHBondContact O-SG 3.27Å; S286-N327 WeakPolarHBondContact O-CB 3.2Å; S286-N327 WeakPolarHBondContact OG-CB 3.47Å; S286-N327 PolarHBondContact OG-ND2 3.32Å
287	K	92.4	Very high	92.4	Very high	90 Å²	90	36 Å²	36	39%	0.391	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.3	171.8	-65.1	174.2	178.2	-179.6	0	112.5	Q284 H285 D380	Q284-K287 WeakPolarHBondContact O-CB 3.19Å; Q284-K287 PolarHBondContact O-N 2.87Å; Q284-K287 VanDerWaalsContact O-N 3.15Å; H285-K287 PolarHBondContact O-N 3.39Å; H285-K287 VanDerWaalsContact O-N 3.14Å; K287-D380 WeakPolarHBondContact CE-OD2 3.22Å; K287-D380 HydrophobicContact CG-CB 4.46Å; K287-D380 IonicContact NZ-OD2 3.38Å; K287-D380 PolarHBondContact NZ-OD2 2.84Å
288	V	92.4	Very high	93	Very high	35 Å²	35	35.9 Å²	35.9	21%	0.212	18%	0.175	C	C	.	.	S	Bend	trans	-93.9	122.4	-179.2	-173.4	0	0	0	0	108.9	E225 V226 H285 S286 S290 H291 C292	E225-V288 HydrophobicContact CB-CG1 4.36Å; V226-V288 HydrophobicContact CG1-CG2 3.89Å; H285-V288 PolarHBondContact O-N 3.1Å; S286-V288 VanDerWaalsContact C-N 3.28Å; V288-S290 WeakPolarHBondContact CG1-OG 3.41Å; V288-S290 PolarHBondContact O-N 3.42Å; V288-H291 HydrophobicContact CB-CB 4.22Å; V288-H291 WeakPolarHBondContact O-CB 3.32Å; V288-H291 PolarHBondContact O-N 2.85Å; V288-H291 VanDerWaalsContact O-N 3.08Å; V288-C292 PolarHBondContact O-N 3.47Å; V288-C292 PolarHBondContact O-SG 3.5Å; V288-C292 VanDerWaalsContact O-SG 3.33Å
289	Q	91.4	Very high	93.2	Very high	97 Å²	97	36.9 Å²	36.9	45%	0.453	19%	0.186	S	C	.	.	H	α-helix	trans	-55.8	-47	-173.5	-177.2	70.9	9.2	0	0	113.5	H291 C292 N331	Q289-H291 PolarHBondContact O-N 3.07Å; Q289-C292 VanDerWaalsContact O-CB 3.32Å; Q289-C292 WeakPolarHBondContact O-CB 3.39Å; Q289-C292 PolarHBondContact O-N 2.87Å; Q289-C292 VanDerWaalsContact O-N 3.13Å; Q289-N331 PolarHBondContact NE2-ND2 3.25Å; Q289-N331 PolarHBondContact NE2-OD1 3.32Å
290	S	92.8	Very high	93.4	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-61.2	-30.6	178.9	55.3	0	0	0	0	113	E225 V288	E225-S290 WeakPolarHBondContact OE2-CB 3.5Å; E225-S290 PolarHBondContact OE2-OG 3.11Å; V288-S290 WeakPolarHBondContact CG1-OG 3.41Å; V288-S290 PolarHBondContact O-N 3.42Å
291	H	95.3	Very high	93.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-76	-33.1	177.8	-64.9	-172.2	0	0	0	111	L221 P222 E225 H285 V288 Q289 D293 R294 I295	L221-H291 HydrophobicContact CD2-CB 4.45Å; P222-H291 VanDerWaalsContact CG-NE2 3.3Å; P222-H291 WeakPolarHBondContact CG-NE2 3.34Å; P222-H291 PolarHBondContact O-CE1 3.31Å; P222-H291 PolarHBondContact O-NE2 2.86Å; E225-H291 IonicContact OE2-NE2 2.57Å; H285-H291 AromaticContact CE1-CE1 3.98Å; H285-H291 AromaticContact CG-ND1 3.73Å; H285-H291 AromaticContact ND1-CE1 3.26Å; H285-H291 PolarHBondContact ND1-CE1 2.98Å; H285-H291 VanDerWaalsContact ND1-CE1 3.26Å; H285-H291 AromaticContact ND1-ND1 3.07Å; H285-H291 PolarHBondContact ND1-ND1 3.5Å; H285-H291 VanDerWaalsContact O-CB 3.28Å; H285-H291 WeakPolarHBondContact O-CB 3.22Å; H285-H291 PolarHBondContact O-ND1 2.98Å; V288-H291 HydrophobicContact CB-CB 4.22Å; V288-H291 WeakPolarHBondContact O-CB 3.32Å; V288-H291 PolarHBondContact O-N 2.85Å; V288-H291 VanDerWaalsContact O-N 3.08Å; Q289-H291 PolarHBondContact O-N 3.07Å; H291-D293 VanDerWaalsContact C-N 3.32Å; H291-D293 PolarHBondContact O-N 3.25Å; H291-R294 PolarHBondContact O-N 3.04Å; H291-I295 WeakPolarHBondContact O-CB 3.41Å; H291-I295 WeakPolarHBondContact O-CG1 3.3Å; H291-I295 PolarHBondContact O-N 3.38Å
292	C	95.6	Very high	93.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-45.6	179.1	-62.7	0	0	0	0	111.8	S286 V288 Q289 I295 V296 L328 I334	S286-C292 PolarHBondContact O-SG 3.27Å; V288-C292 PolarHBondContact O-N 3.47Å; V288-C292 PolarHBondContact O-SG 3.5Å; V288-C292 VanDerWaalsContact O-SG 3.33Å; Q289-C292 VanDerWaalsContact O-CB 3.32Å; Q289-C292 WeakPolarHBondContact O-CB 3.39Å; Q289-C292 PolarHBondContact O-N 2.87Å; Q289-C292 VanDerWaalsContact O-N 3.13Å; C292-I295 PolarHBondContact O-N 2.71Å; C292-V296 PolarHBondContact O-N 3.35Å; C292-L328 HydrophobicContact CB-CD2 3.62Å; C292-I334 VanDerWaalsContact C-CD1 3.47Å; C292-I334 HydrophobicContact CB-CD1 3.55Å; C292-I334 WeakPolarHBondContact O-CD1 3.34Å
293	D	93.8	Very high	93.8	Very high	56 Å²	56	40.6 Å²	40.6	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-47.3	178.6	-63.4	-46.8	0	0	0	110.4	H291 I295 V296 E297 N331 S333	H291-D293 VanDerWaalsContact C-N 3.32Å; H291-D293 PolarHBondContact O-N 3.25Å; D293-I295 VanDerWaalsContact C-N 3.34Å; D293-I295 PolarHBondContact O-N 3.26Å; D293-V296 PolarHBondContact O-N 2.57Å; D293-V296 VanDerWaalsContact O-N 3.12Å; D293-E297 WeakPolarHBondContact O-CG 3.25Å; D293-E297 PolarHBondContact O-N 3.32Å; D293-N331 PolarHBondContact OD1-ND2 2.83Å; D293-S333 PolarHBondContact OD1-OG 2.87Å
294	R	95.2	Very high	93.9	Very high	101 Å²	101	40.5 Å²	40.5	38%	0.381	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-37.8	176.6	-65.6	-174.3	-173.9	-166	6.1	113.4	L221 H291 V296 E297 N298	L221-R294 HydrophobicContact CD2-CB 4Å; H291-R294 PolarHBondContact O-N 3.04Å; R294-V296 VanDerWaalsContact C-N 3.25Å; R294-V296 PolarHBondContact O-N 2.88Å; R294-E297 PolarHBondContact O-N 3.05Å; R294-N298 WeakPolarHBondContact O-CB 3.04Å; R294-N298 PolarHBondContact O-N 3.26Å; R294-N298 PolarHBondContact O-ND2 3.48Å
295	I	96.5	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-42.7	176.7	-73.9	165.8	0	0	0	109.6	L217 L221 L282 H291 C292 D293 G300 L328	L217-I295 HydrophobicContact CD2-CG2 4.44Å; L221-I295 HydrophobicContact CD1-CD1 4.24Å; L221-I295 HydrophobicContact CD1-CG1 3.96Å; L221-I295 HydrophobicContact CD2-CG1 3.82Å; L282-I295 HydrophobicContact CD1-CD1 3.74Å; L282-I295 HydrophobicContact CD1-CG1 4.03Å; H291-I295 WeakPolarHBondContact O-CB 3.41Å; H291-I295 WeakPolarHBondContact O-CG1 3.3Å; H291-I295 PolarHBondContact O-N 3.38Å; C292-I295 PolarHBondContact O-N 2.71Å; D293-I295 VanDerWaalsContact C-N 3.34Å; D293-I295 PolarHBondContact O-N 3.26Å; I295-G300 WeakPolarHBondContact O-CA 3.31Å; I295-G300 PolarHBondContact O-N 3.31Å; I295-L328 HydrophobicContact CB-CD2 4.44Å; I295-L328 HydrophobicContact CD1-CD2 4.43Å; I295-L328 HydrophobicContact CG2-CD1 4.31Å; I295-L328 HydrophobicContact CG2-CD2 4.31Å
296	V	95.9	Very high	93.9	Very high	30 Å²	30	41.8 Å²	41.8	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-41.1	-179.4	176.7	0	0	0	0	112.1	C292 D293 R294 N298 G299 L301 L328 I334 A337	C292-V296 PolarHBondContact O-N 3.35Å; D293-V296 PolarHBondContact O-N 2.57Å; D293-V296 VanDerWaalsContact O-N 3.12Å; R294-V296 VanDerWaalsContact C-N 3.25Å; R294-V296 PolarHBondContact O-N 2.88Å; V296-N298 VanDerWaalsContact C-N 3.26Å; V296-N298 PolarHBondContact O-N 3.4Å; V296-G299 PolarHBondContact O-N 3.33Å; V296-G299 VanDerWaalsContact O-N 3.12Å; V296-L301 HydrophobicContact CG1-CD1 3.95Å; V296-L301 HydrophobicContact CG1-CG 4.48Å; V296-L301 HydrophobicContact CG2-CD1 4.11Å; V296-L301 HydrophobicContact CG2-CD2 4.43Å; V296-L301 HydrophobicContact CG2-CG 4.05Å; V296-L328 HydrophobicContact CG2-CD1 4.25Å; V296-I334 HydrophobicContact CB-CG2 4.49Å; V296-I334 HydrophobicContact CG2-CD1 4.15Å; V296-I334 HydrophobicContact CG2-CG2 3.61Å; V296-A337 HydrophobicContact CG1-CB 3.79Å
297	E	94.1	Very high	93.7	Very high	152 Å²	152	41.8 Å²	41.8	71%	0.71	21%	0.207	S	C	*	.	H	α-helix	trans	-58	-38.1	175	-73.1	172.8	174.4	0	0	112.3	D293 R294 G299	D293-E297 WeakPolarHBondContact O-CG 3.25Å; D293-E297 PolarHBondContact O-N 3.32Å; R294-E297 PolarHBondContact O-N 3.05Å; E297-G299 PolarHBondContact O-N 3.47Å
298	N	93.6	Very high	93.7	Very high	82 Å²	82	39.2 Å²	39.2	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	20.7	178.6	-67.2	-32.8	0	0	0	113.7	L217 S220 R294 V296 G300	L217-N298 HydrophobicContact CD1-CB 3.64Å; S220-N298 WeakPolarHBondContact CB-ND2 3.14Å; S220-N298 PolarHBondContact OG-ND2 2.94Å; R294-N298 WeakPolarHBondContact O-CB 3.04Å; R294-N298 PolarHBondContact O-N 3.26Å; R294-N298 PolarHBondContact O-ND2 3.48Å; V296-N298 VanDerWaalsContact C-N 3.26Å; V296-N298 PolarHBondContact O-N 3.4Å; N298-G300 VanDerWaalsContact C-N 3.34Å; N298-G300 PolarHBondContact O-N 2.91Å
299	G	92.5	Very high	93.6	Very high	22 Å²	22	41.3 Å²	41.3	23%	0.227	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	21.1	173.8	0	0	0	0	0	115	V296 E297 L301 Q302 I303	V296-G299 PolarHBondContact O-N 3.33Å; V296-G299 VanDerWaalsContact O-N 3.12Å; E297-G299 PolarHBondContact O-N 3.47Å; G299-L301 VanDerWaalsContact C-N 3.27Å; G299-L301 PolarHBondContact O-N 3.46Å; G299-Q302 VanDerWaalsContact C-OE1 3.31Å; G299-Q302 PolarHBondContact O-N 3.39Å; G299-Q302 VanDerWaalsContact O-N 3.15Å; G299-Q302 PolarHBondContact O-OE1 2.97Å; G299-I303 PolarHBondContact O-N 3.1Å; G299-I303 VanDerWaalsContact O-N 3.15Å
300	G	94.9	Very high	93.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-32.7	-176.9	0	0	0	0	0	113.8	I295 N298 Q302 I303 L304	I295-G300 WeakPolarHBondContact O-CA 3.31Å; I295-G300 PolarHBondContact O-N 3.31Å; N298-G300 VanDerWaalsContact C-N 3.34Å; N298-G300 PolarHBondContact O-N 2.91Å; G300-Q302 VanDerWaalsContact C-N 3.33Å; G300-Q302 PolarHBondContact O-N 2.9Å; G300-I303 PolarHBondContact O-N 3.38Å; G300-L304 WeakPolarHBondContact O-CB 3.37Å; G300-L304 WeakPolarHBondContact O-CG 3.37Å; G300-L304 PolarHBondContact O-N 2.99Å
301	L	95.3	Very high	93.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-39.7	176.9	-65.6	177	0	0	0	111.8	V296 G299 Q305 I325 L328 A337 I338 W343	V296-L301 HydrophobicContact CG1-CD1 3.95Å; V296-L301 HydrophobicContact CG1-CG 4.48Å; V296-L301 HydrophobicContact CG2-CD1 4.11Å; V296-L301 HydrophobicContact CG2-CD2 4.43Å; V296-L301 HydrophobicContact CG2-CG 4.05Å; G299-L301 VanDerWaalsContact C-N 3.27Å; G299-L301 PolarHBondContact O-N 3.46Å; L301-Q305 WeakPolarHBondContact O-CB 3.27Å; L301-Q305 PolarHBondContact O-N 2.71Å; L301-I325 HydrophobicContact CD2-CD1 3.72Å; L301-L328 HydrophobicContact CD2-CD1 3.7Å; L301-A337 HydrophobicContact CD1-CB 3.91Å; L301-I338 HydrophobicContact CD1-CG1 4.4Å; L301-I338 HydrophobicContact CD2-CG1 4.25Å; L301-W343 WeakPolarHBondContact O-CZ2 3.48Å; L301-W343 PolarHBondContact O-NE1 3.15Å
302	Q	92.8	Very high	93	Very high	84 Å²	84	51.5 Å²	51.5	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-73.1	-40.5	179.5	-66.8	75.8	9.2	0	0	111.2	L201 G299 G300 Q305 R306	L201-Q302 WeakPolarHBondContact CD1-O 3.23Å; L201-Q302 HydrophobicContact CD2-CB 4Å; L201-Q302 HydrophobicContact CD2-CG 3.99Å; G299-Q302 VanDerWaalsContact C-OE1 3.31Å; G299-Q302 PolarHBondContact O-N 3.39Å; G299-Q302 VanDerWaalsContact O-N 3.15Å; G299-Q302 PolarHBondContact O-OE1 2.97Å; G300-Q302 VanDerWaalsContact C-N 3.33Å; G300-Q302 PolarHBondContact O-N 2.9Å; Q302-Q305 PolarHBondContact O-N 3.08Å; Q302-R306 PolarHBondContact O-N 2.93Å
303	I	92.9	Very high	92.6	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-47.5	174.9	-66	165.8	0	0	0	110.2	L214 L217 G299 G300 Q305 R306 L307	L214-I303 HydrophobicContact CB-CG2 4.23Å; L214-I303 HydrophobicContact CD1-CG2 4.47Å; L217-I303 HydrophobicContact CB-CD1 4.22Å; L217-I303 HydrophobicContact CD2-CD1 4.37Å; G299-I303 PolarHBondContact O-N 3.1Å; G299-I303 VanDerWaalsContact O-N 3.15Å; G300-I303 PolarHBondContact O-N 3.38Å; I303-Q305 VanDerWaalsContact C-N 3.31Å; I303-Q305 PolarHBondContact O-N 2.92Å; I303-R306 PolarHBondContact O-N 3.47Å; I303-L307 WeakPolarHBondContact O-CB 3.4Å; I303-L307 PolarHBondContact O-N 3.11Å
304	L	95	Very high	92.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-39.7	177.4	-71.7	171.8	0	0	0	111.7	L279 L282 G300 L307 Y308 I321 V324 I325 W343	L279-L304 HydrophobicContact CD2-CD2 3.7Å; L282-L304 HydrophobicContact CD2-CD2 4.02Å; G300-L304 WeakPolarHBondContact O-CB 3.37Å; G300-L304 WeakPolarHBondContact O-CG 3.37Å; G300-L304 PolarHBondContact O-N 2.99Å; L304-L307 PolarHBondContact O-N 2.65Å; L304-Y308 VanDerWaalsContact O-CB 3.26Å; L304-Y308 WeakPolarHBondContact O-CB 3.47Å; L304-Y308 PolarHBondContact O-N 2.91Å; L304-I321 HydrophobicContact CB-CG2 4.1Å; L304-I321 HydrophobicContact CD2-CB 4.46Å; L304-I321 HydrophobicContact CD2-CG1 4.01Å; L304-I321 HydrophobicContact CD2-CG2 4.22Å; L304-V324 HydrophobicContact CD1-CB 4.3Å; L304-V324 HydrophobicContact CD1-CG1 3.71Å; L304-I325 HydrophobicContact CD1-CD1 3.9Å; L304-W343 HydrophobicContact CB-CH2 4Å; L304-W343 HydrophobicContact CB-CZ2 3.59Å
305	Q	92.7	Very high	92.1	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.019	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-42.4	179.1	-174.8	-168.5	-23.3	0	0	110.9	P198 P199 L201 L301 Q302 I303 Y308 Q309 S341 W343	P198-Q305 HydrophobicContact CB-CG 4.28Å; P199-Q305 PolarHBondContact O-NE2 2.7Å; L201-Q305 HydrophobicContact CD1-CB 4.18Å; L201-Q305 HydrophobicContact CD1-CG 4.23Å; L301-Q305 WeakPolarHBondContact O-CB 3.27Å; L301-Q305 PolarHBondContact O-N 2.71Å; Q302-Q305 PolarHBondContact O-N 3.08Å; I303-Q305 VanDerWaalsContact C-N 3.31Å; I303-Q305 PolarHBondContact O-N 2.92Å; Q305-Y308 WeakPolarHBondContact O-CB 3.18Å; Q305-Y308 PolarHBondContact O-N 3.47Å; Q305-Q309 WeakPolarHBondContact O-CG 3.27Å; Q305-Q309 PolarHBondContact O-N 2.86Å; Q305-S341 PolarHBondContact OE1-O 3.35Å; Q305-W343 HydrophobicContact CB-CH2 4.36Å; Q305-W343 HydrophobicContact CB-CZ2 3.8Å; Q305-W343 VanDerWaalsContact N-CZ2 3.34Å
306	R	91	Very high	91.7	Very high	52 Å²	52	62.4 Å²	62.4	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-47.2	174.1	-174.6	172.5	-72.4	148.9	-4.4	111.1	L201 P202 L204 Q302 I303 Y308 Q309 L310	L201-R306 HydrophobicContact CD1-CB 3.69Å; P202-R306 PolarHBondContact O-NH2 3.06Å; L204-R306 VanDerWaalsContact CG-NH1 3.34Å; Q302-R306 PolarHBondContact O-N 2.93Å; I303-R306 PolarHBondContact O-N 3.47Å; R306-Y308 VanDerWaalsContact C-N 3.32Å; R306-Y308 PolarHBondContact O-N 2.92Å; R306-Q309 PolarHBondContact O-N 3.47Å; R306-L310 HydrophobicContact CG-CD1 3.88Å; R306-L310 HydrophobicContact CG-CG 4.35Å; R306-L310 WeakPolarHBondContact O-CG 3.25Å; R306-L310 PolarHBondContact O-N 2.89Å
307	L	91.9	Very high	91.5	Very high	1 Å²	1	61 Å²	61	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-38.1	179.8	-170.8	61.7	0	0	0	111.9	L214 E275 L279 I303 L304 Q309 L310 R311 I317 I321	L214-L307 HydrophobicContact CD2-CD2 4.17Å; E275-L307 HydrophobicContact CB-CD1 4.43Å; E275-L307 VanDerWaalsContact CD-CD1 3.48Å; E275-L307 HydrophobicContact CG-CD1 4.04Å; E275-L307 WeakPolarHBondContact OE2-CD1 3.26Å; L279-L307 HydrophobicContact CD1-CD2 3.6Å; L279-L307 HydrophobicContact CD2-CD2 4.06Å; L279-L307 HydrophobicContact CG-CD2 3.93Å; I303-L307 WeakPolarHBondContact O-CB 3.4Å; I303-L307 PolarHBondContact O-N 3.11Å; L304-L307 PolarHBondContact O-N 2.65Å; L307-Q309 VanDerWaalsContact C-N 3.31Å; L307-Q309 PolarHBondContact O-N 3.45Å; L307-L310 PolarHBondContact O-N 3.34Å; L307-R311 HydrophobicContact CD1-CG 3.8Å; L307-R311 HydrophobicContact CG-CG 4.49Å; L307-R311 WeakPolarHBondContact O-CB 3.43Å; L307-R311 PolarHBondContact O-N 3.11Å; L307-I317 HydrophobicContact CD2-CG2 4.24Å; L307-I317 HydrophobicContact CG-CG2 4.02Å; L307-I321 HydrophobicContact CB-CD1 4.07Å; L307-I321 HydrophobicContact CD2-CD1 4.17Å; L307-I321 HydrophobicContact CG-CD1 3.99Å
308	Y	92.1	Very high	91.4	Very high	35 Å²	35	54.2 Å²	54.2	14%	0.137	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-42.5	174	-169.5	-83.1	0	0	0	111.1	L304 Q305 R306 Q318 I321 V322 W343 V346 T350	L304-Y308 VanDerWaalsContact O-CB 3.26Å; L304-Y308 WeakPolarHBondContact O-CB 3.47Å; L304-Y308 PolarHBondContact O-N 2.91Å; Q305-Y308 WeakPolarHBondContact O-CB 3.18Å; Q305-Y308 PolarHBondContact O-N 3.47Å; R306-Y308 VanDerWaalsContact C-N 3.32Å; R306-Y308 PolarHBondContact O-N 2.92Å; Y308-Q318 PolarHBondContact O-NE2 3.02Å; Y308-I321 HydrophobicContact CD2-CB 4.39Å; Y308-I321 HydrophobicContact CD2-CD1 4.4Å; Y308-I321 HydrophobicContact CD2-CG2 3.95Å; Y308-V322 HydrophobicContact CE2-CG2 3.98Å; Y308-W343 HydrophobicContact CD2-CH2 4.47Å; Y308-W343 HydrophobicContact CD2-CZ3 4.19Å; Y308-W343 HydrophobicContact CG-CZ3 4.45Å; Y308-V346 HydrophobicContact CD1-CG1 4.16Å; Y308-V346 HydrophobicContact CD2-CG1 4.35Å; Y308-V346 HydrophobicContact CE1-CG1 3.58Å; Y308-V346 HydrophobicContact CE2-CG1 3.77Å; Y308-T350 PolarHBondContact OH-OG1 2.92Å
309	Q	89.9	Confident	91.4	Very high	80 Å²	80	53.3 Å²	53.3	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-69.6	-39.8	176.9	-70.5	172.6	-12.5	0	0	113	Q305 R306 L307	Q305-Q309 WeakPolarHBondContact O-CG 3.27Å; Q305-Q309 PolarHBondContact O-N 2.86Å; R306-Q309 PolarHBondContact O-N 3.47Å; L307-Q309 VanDerWaalsContact C-N 3.31Å; L307-Q309 PolarHBondContact O-N 3.45Å
310	L	89.2	Confident	91.4	Very high	104 Å²	104	52.7 Å²	52.7	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-73.2	-32.1	-178.9	-71.3	172.6	0	0	0	113.4	A210 R306 L307	A210-L310 HydrophobicContact CB-CD1 3.76Å; R306-L310 HydrophobicContact CG-CD1 3.88Å; R306-L310 HydrophobicContact CG-CG 4.35Å; R306-L310 WeakPolarHBondContact O-CG 3.25Å; R306-L310 PolarHBondContact O-N 2.89Å; L307-L310 PolarHBondContact O-N 3.34Å
311	R	90.2	Very high	91.5	Very high	67 Å²	67	52.7 Å²	52.7	25%	0.253	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	39.4	-171	-61.3	-64.5	-170.9	-154.6	-8	113.2	S271 E275 L307 E313 S314 I317 Q318	S271-R311 PolarHBondContact OG-NH2 2.93Å; E275-R311 IonicContact OE1-CZ 3.99Å; E275-R311 IonicContact OE1-NE 3.27Å; E275-R311 IonicContact OE1-NH2 2.84Å; E275-R311 PolarHBondContact OE1-NH2 3.37Å; E275-R311 IonicContact OE2-CZ 3.06Å; E275-R311 IonicContact OE2-NE 2.73Å; E275-R311 PolarHBondContact OE2-NE 3.22Å; E275-R311 IonicContact OE2-NH2 2.73Å; E275-R311 PolarHBondContact OE2-NH2 3.02Å; L307-R311 HydrophobicContact CD1-CG 3.8Å; L307-R311 HydrophobicContact CG-CG 4.49Å; L307-R311 WeakPolarHBondContact O-CB 3.43Å; L307-R311 PolarHBondContact O-N 3.11Å; R311-E313 PolarHBondContact O-N 3.06Å; R311-E313 VanDerWaalsContact O-N 3.15Å; R311-S314 PolarHBondContact O-N 2.85Å; R311-I317 HydrophobicContact CB-CB 4.29Å; R311-I317 HydrophobicContact CB-CD1 4.14Å; R311-I317 HydrophobicContact CB-CG2 3.78Å; R311-I317 HydrophobicContact CG-CD1 3.85Å; R311-I317 HydrophobicContact CG-CG2 4.22Å; R311-Q318 PolarHBondContact O-NE2 2.93Å
312	R	88.3	Confident	91.6	Very high	178 Å²	178	52.6 Å²	52.6	67%	0.672	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.9	-177.5	-72.9	-173.9	-179.1	-147.8	-2	113.9
313	E	87.5	Confident	91.8	Very high	192 Å²	192	50.1 Å²	50.1	90%	0.897	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.7	-178.8	-59.9	-178.1	171.1	0	0	113.4	R311 L315	R311-E313 PolarHBondContact O-N 3.06Å; R311-E313 VanDerWaalsContact O-N 3.15Å; E313-L315 PolarHBondContact O-N 3.49Å
314	S	90.1	Very high	92	Very high	15 Å²	15	48.7 Å²	48.7	11%	0.105	22%	0.215	C	C	.	.			trans	-93.7	87.5	-176	-170.7	0	0	0	0	111.3	E272 R311 K316 I317 Q318	E272-S314 WeakPolarHBondContact OE1-CB 3.43Å; E272-S314 PolarHBondContact OE1-OG 3.31Å; R311-S314 PolarHBondContact O-N 2.85Å; S314-K316 PolarHBondContact O-N 3.2Å; S314-I317 PolarHBondContact O-N 2.71Å; S314-Q318 WeakPolarHBondContact O-CG 3.24Å; S314-Q318 PolarHBondContact O-N 2.82Å
315	L	88.3	Confident	92.2	Very high	79 Å²	79	48.7 Å²	48.7	41%	0.414	22%	0.215	S	C	.	.	H	α-helix	trans	-51.9	-33.3	179.1	-61.8	179.6	0	0	0	113.1	E313 R319 H355	E313-L315 PolarHBondContact O-N 3.49Å; L315-R319 WeakPolarHBondContact O-CB 3.32Å; L315-R319 PolarHBondContact O-N 3.26Å; L315-H355 VanDerWaalsContact CD2-CD2 3.47Å; L315-H355 WeakPolarHBondContact CD2-CD2 3.42Å
316	K	87.8	Confident	92.4	Very high	103 Å²	103	48.5 Å²	48.5	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-42.2	177.6	-171	-176.2	-178.9	-162.4	0	111.9	S276 S314 N320	S276-K316 WeakPolarHBondContact OG-CE 3.36Å; S276-K316 PolarHBondContact OG-NZ 3.4Å; S314-K316 PolarHBondContact O-N 3.2Å; K316-N320 WeakPolarHBondContact O-CB 3.31Å; K316-N320 PolarHBondContact O-N 3.02Å; K316-N320 PolarHBondContact O-ND2 3.45Å; K316-N320 VanDerWaalsContact O-ND2 3.1Å
317	I	91.1	Very high	92.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-49.9	177.9	-72.8	179.8	0	0	0	109.7	E272 E275 L279 L307 R311 S314 R319 N320 I321	E272-I317 HydrophobicContact CG-CD1 3.54Å; E275-I317 HydrophobicContact CB-CD1 4.27Å; L279-I317 HydrophobicContact CD1-CB 4.2Å; L279-I317 HydrophobicContact CD1-CG1 4.21Å; L279-I317 HydrophobicContact CD1-CG2 3.71Å; L307-I317 HydrophobicContact CD2-CG2 4.24Å; L307-I317 HydrophobicContact CG-CG2 4.02Å; R311-I317 HydrophobicContact CB-CB 4.29Å; R311-I317 HydrophobicContact CB-CD1 4.14Å; R311-I317 HydrophobicContact CB-CG2 3.78Å; R311-I317 HydrophobicContact CG-CD1 3.85Å; R311-I317 HydrophobicContact CG-CG2 4.22Å; S314-I317 PolarHBondContact O-N 2.71Å; I317-R319 PolarHBondContact O-N 3.06Å; I317-N320 PolarHBondContact O-N 3.43Å; I317-N320 VanDerWaalsContact O-N 3.11Å; I317-I321 HydrophobicContact CG2-CD1 3.63Å; I317-I321 HydrophobicContact CG2-CG1 4.34Å; I317-I321 WeakPolarHBondContact O-CG1 3.36Å; I317-I321 PolarHBondContact O-N 3.23Å
318	Q	93.2	Very high	93	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-53	-53	178.4	-64.6	-61.7	-48.2	0	0	111.3	Y308 R311 S314 N320 I321 V322 E358	Y308-Q318 PolarHBondContact O-NE2 3.02Å; R311-Q318 PolarHBondContact O-NE2 2.93Å; S314-Q318 WeakPolarHBondContact O-CG 3.24Å; S314-Q318 PolarHBondContact O-N 2.82Å; Q318-N320 PolarHBondContact O-N 3.5Å; Q318-I321 PolarHBondContact O-N 3.34Å; Q318-V322 WeakPolarHBondContact O-CG2 3.43Å; Q318-V322 PolarHBondContact O-N 2.91Å; Q318-E358 WeakPolarHBondContact CB-OE1 3.43Å
319	R	91.9	Very high	93.3	Very high	63 Å²	63	44.4 Å²	44.4	24%	0.238	20%	0.199	C	C	.	.	H	α-helix	trans	-53.4	-49.2	174.7	178.4	-160.8	161.2	-178.7	-1	112.7	L315 I317 I321 V322 R323 M357 E358	L315-R319 WeakPolarHBondContact O-CB 3.32Å; L315-R319 PolarHBondContact O-N 3.26Å; I317-R319 PolarHBondContact O-N 3.06Å; R319-I321 VanDerWaalsContact C-N 3.33Å; R319-I321 PolarHBondContact O-N 2.69Å; R319-V322 PolarHBondContact O-N 3.46Å; R319-R323 VanDerWaalsContact O-CB 3.25Å; R319-R323 WeakPolarHBondContact O-CB 3.28Å; R319-R323 PolarHBondContact O-N 2.73Å; R319-M357 WeakPolarHBondContact CD-SD 3.34Å; R319-M357 HydrophobicContact CG-CG 4.34Å; R319-M357 HydrophobicContact CG-SD 4.36Å; R319-M357 PolarHBondContact NE-SD 3.01Å; R319-M357 PolarHBondContact NH1-SD 3.37Å; R319-E358 HydrophobicContact CB-CG 4.3Å
320	N	94.1	Very high	93.6	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-36.1	-177.5	-77.5	-30.8	0	0	0	111.9	L279 V283 K316 I317 Q318 R323 V324	L279-N320 HydrophobicContact CB-CB 4.19Å; L279-N320 HydrophobicContact CD1-CB 4.39Å; V283-N320 HydrophobicContact CG2-CB 4.22Å; K316-N320 WeakPolarHBondContact O-CB 3.31Å; K316-N320 PolarHBondContact O-N 3.02Å; K316-N320 PolarHBondContact O-ND2 3.45Å; K316-N320 VanDerWaalsContact O-ND2 3.1Å; I317-N320 PolarHBondContact O-N 3.43Å; I317-N320 VanDerWaalsContact O-N 3.11Å; Q318-N320 PolarHBondContact O-N 3.5Å; N320-R323 WeakPolarHBondContact O-CB 3.31Å; N320-R323 PolarHBondContact O-N 3.04Å; N320-V324 WeakPolarHBondContact O-CG2 3.4Å; N320-V324 PolarHBondContact O-N 3.02Å
321	I	96.9	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-53.1	175	-68.8	167.6	0	0	0	110.2	L279 L304 L307 Y308 I317 Q318 R319 R323 V324 I325 W343	L279-I321 HydrophobicContact CD1-CD1 4.42Å; L279-I321 HydrophobicContact CD1-CG1 3.93Å; L279-I321 HydrophobicContact CD2-CG1 4.04Å; L304-I321 HydrophobicContact CB-CG2 4.1Å; L304-I321 HydrophobicContact CD2-CB 4.46Å; L304-I321 HydrophobicContact CD2-CG1 4.01Å; L304-I321 HydrophobicContact CD2-CG2 4.22Å; L307-I321 HydrophobicContact CB-CD1 4.07Å; L307-I321 HydrophobicContact CD2-CD1 4.17Å; L307-I321 HydrophobicContact CG-CD1 3.99Å; Y308-I321 HydrophobicContact CD2-CB 4.39Å; Y308-I321 HydrophobicContact CD2-CD1 4.4Å; Y308-I321 HydrophobicContact CD2-CG2 3.95Å; I317-I321 HydrophobicContact CG2-CD1 3.63Å; I317-I321 HydrophobicContact CG2-CG1 4.34Å; I317-I321 WeakPolarHBondContact O-CG1 3.36Å; I317-I321 PolarHBondContact O-N 3.23Å; Q318-I321 PolarHBondContact O-N 3.34Å; R319-I321 VanDerWaalsContact C-N 3.33Å; R319-I321 PolarHBondContact O-N 2.69Å; I321-R323 PolarHBondContact O-N 2.67Å; I321-V324 WeakPolarHBondContact O-CB 3.48Å; I321-V324 PolarHBondContact O-N 2.9Å; I321-I325 WeakPolarHBondContact O-CG1 3.46Å; I321-I325 PolarHBondContact O-N 3.17Å; I321-W343 HydrophobicContact CG2-CH2 3.47Å; I321-W343 VanDerWaalsContact CG2-CH2 3.47Å; I321-W343 HydrophobicContact CG2-CZ2 4.42Å; I321-W343 HydrophobicContact CG2-CZ3 3.9Å
322	V	97.2	Very high	94.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-34.9	178.9	-179.6	0	0	0	0	110.9	Y308 Q318 R319 I325 G326 L347 T350 H361 A362	Y308-V322 HydrophobicContact CE2-CG2 3.98Å; Q318-V322 WeakPolarHBondContact O-CG2 3.43Å; Q318-V322 PolarHBondContact O-N 2.91Å; R319-V322 PolarHBondContact O-N 3.46Å; V322-I325 PolarHBondContact O-N 3.29Å; V322-G326 PolarHBondContact O-N 3.38Å; V322-L347 HydrophobicContact CG1-CD2 3.95Å; V322-T350 HydrophobicContact CG1-CG2 4.46Å; V322-T350 HydrophobicContact CG2-CG2 4.2Å; V322-H361 HydrophobicContact CB-CB 4.37Å; V322-H361 HydrophobicContact CG1-CB 3.74Å; V322-A362 HydrophobicContact CG1-CB 4.17Å
323	R	96.3	Very high	94.4	Very high	31 Å²	31	34.7 Å²	34.7	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-40.7	174.2	-168.4	177.7	177.3	179.1	3.8	112.7	V283 R319 N320 I321 G326 N327 R364 D380	V283-R323 HydrophobicContact CG1-CG 4.3Å; R319-R323 VanDerWaalsContact O-CB 3.25Å; R319-R323 WeakPolarHBondContact O-CB 3.28Å; R319-R323 PolarHBondContact O-N 2.73Å; N320-R323 WeakPolarHBondContact O-CB 3.31Å; N320-R323 PolarHBondContact O-N 3.04Å; I321-R323 PolarHBondContact O-N 2.67Å; R323-G326 PolarHBondContact O-N 3.35Å; R323-N327 PolarHBondContact O-N 3.34Å; R323-N327 VanDerWaalsContact O-N 3.16Å; R323-N327 PolarHBondContact O-OD1 3.13Å; R323-R364 PolarHBondContact O-NH2 2.93Å; R323-D380 WeakPolarHBondContact CG-OD1 3.48Å; R323-D380 IonicContact CZ-OD1 3.98Å; R323-D380 IonicContact CZ-OD2 3.72Å; R323-D380 IonicContact NE-OD1 3.97Å; R323-D380 PolarHBondContact NE-OD1 2.92Å; R323-D380 IonicContact NE-OD2 3.05Å; R323-D380 PolarHBondContact NE-OD2 2.98Å; R323-D380 IonicContact NH2-OD1 3.87Å; R323-D380 IonicContact NH2-OD2 3.21Å; R323-D380 PolarHBondContact NH2-OD2 3.18Å
324	V	97.8	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-49.2	171.1	173.3	0	0	0	0	110.4	L282 V283 L304 N320 I321 G326 N327 L328	L282-V324 HydrophobicContact CD2-CG1 4.41Å; L282-V324 HydrophobicContact CD2-CG2 4.36Å; L282-V324 HydrophobicContact CG-CG1 4.44Å; L282-V324 HydrophobicContact CG-CG2 4.2Å; V283-V324 HydrophobicContact CB-CG2 4.35Å; V283-V324 HydrophobicContact CG2-CG2 3.58Å; L304-V324 HydrophobicContact CD1-CB 4.3Å; L304-V324 HydrophobicContact CD1-CG1 3.71Å; N320-V324 WeakPolarHBondContact O-CG2 3.4Å; N320-V324 PolarHBondContact O-N 3.02Å; I321-V324 WeakPolarHBondContact O-CB 3.48Å; I321-V324 PolarHBondContact O-N 2.9Å; V324-G326 VanDerWaalsContact C-N 3.28Å; V324-G326 PolarHBondContact O-N 3.05Å; V324-N327 WeakPolarHBondContact O-CA 3.18Å; V324-N327 WeakPolarHBondContact O-CB 3.25Å; V324-N327 PolarHBondContact O-N 3.05Å; V324-L328 HydrophobicContact CG1-CD1 4.23Å; V324-L328 HydrophobicContact CG1-CG 4.3Å; V324-L328 WeakPolarHBondContact O-CG 3.43Å; V324-L328 PolarHBondContact O-N 3.35Å
325	I	98.3	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-41.8	178.3	-61.2	-57.8	0	0	0	111.4	L301 L304 I321 V322 N327 L328 A329 I338 W343 L347	L301-I325 HydrophobicContact CD2-CD1 3.72Å; L304-I325 HydrophobicContact CD1-CD1 3.9Å; I321-I325 WeakPolarHBondContact O-CG1 3.46Å; I321-I325 PolarHBondContact O-N 3.17Å; V322-I325 PolarHBondContact O-N 3.29Å; I325-N327 VanDerWaalsContact C-N 3.26Å; I325-N327 PolarHBondContact O-N 3.38Å; I325-L328 HydrophobicContact CD1-CD1 4.3Å; I325-L328 PolarHBondContact O-N 2.86Å; I325-A329 WeakPolarHBondContact O-CB 3.47Å; I325-A329 PolarHBondContact O-N 3.22Å; I325-I338 HydrophobicContact CG2-CG2 4.4Å; I325-W343 HydrophobicContact CD1-CD2 3.71Å; I325-W343 HydrophobicContact CD1-CE3 4.19Å; I325-W343 HydrophobicContact CD1-CG 4.11Å; I325-W343 HydrophobicContact CD1-CH2 4.31Å; I325-W343 HydrophobicContact CD1-CZ2 3.83Å; I325-W343 HydrophobicContact CD1-CZ3 4.47Å; I325-W343 HydrophobicContact CG1-CD2 3.86Å; I325-W343 HydrophobicContact CG1-CE3 3.82Å; I325-W343 HydrophobicContact CG1-CG 4.48Å; I325-W343 HydrophobicContact CG1-CH2 4.2Å; I325-W343 HydrophobicContact CG1-CZ2 4.22Å; I325-W343 HydrophobicContact CG1-CZ3 3.99Å; I325-W343 HydrophobicContact CG2-CB 4.49Å; I325-W343 HydrophobicContact CG2-CG 4.5Å; I325-L347 HydrophobicContact CG2-CD1 4.11Å; I325-L347 HydrophobicContact CG2-CD2 4.31Å
326	G	97.4	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-25.8	176.1	0	0	0	0	0	114.4	V322 R323 V324 R364	V322-G326 PolarHBondContact O-N 3.38Å; R323-G326 PolarHBondContact O-N 3.35Å; V324-G326 VanDerWaalsContact C-N 3.28Å; V324-G326 PolarHBondContact O-N 3.05Å; G326-R364 VanDerWaalsContact C-NH2 3.32Å; G326-R364 PolarHBondContact O-NH1 3.12Å
327	N	97.7	Very high	95.8	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.011	12%	0.123	C	C	.	.	H	α-helix	trans	-77.8	-43.6	172.3	-64.8	-13.5	0	0	0	111.3	V283 S286 R323 V324 I325 A329 L330 R364 D380	V283-N327 PolarHBondContact O-ND2 3.47Å; S286-N327 WeakPolarHBondContact O-CB 3.2Å; S286-N327 WeakPolarHBondContact OG-CB 3.47Å; S286-N327 PolarHBondContact OG-ND2 3.32Å; R323-N327 PolarHBondContact O-N 3.34Å; R323-N327 VanDerWaalsContact O-N 3.16Å; R323-N327 PolarHBondContact O-OD1 3.13Å; V324-N327 WeakPolarHBondContact O-CA 3.18Å; V324-N327 WeakPolarHBondContact O-CB 3.25Å; V324-N327 PolarHBondContact O-N 3.05Å; I325-N327 VanDerWaalsContact C-N 3.26Å; I325-N327 PolarHBondContact O-N 3.38Å; N327-A329 PolarHBondContact O-N 3Å; N327-L330 VanDerWaalsContact O-CB 3.31Å; N327-L330 WeakPolarHBondContact O-CB 3.45Å; N327-L330 PolarHBondContact O-N 3.01Å; N327-R364 PolarHBondContact OD1-NH1 3.47Å; N327-R364 PolarHBondContact OD1-NH2 2.86Å; N327-D380 WeakPolarHBondContact OD1-CB 3.36Å
328	L	98.1	Very high	96.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-36.3	173.5	-61.6	179.8	0	0	0	111.5	C292 I295 V296 L301 V324 I325 L330 N331 I338	C292-L328 HydrophobicContact CB-CD2 3.62Å; I295-L328 HydrophobicContact CB-CD2 4.44Å; I295-L328 HydrophobicContact CD1-CD2 4.43Å; I295-L328 HydrophobicContact CG2-CD1 4.31Å; I295-L328 HydrophobicContact CG2-CD2 4.31Å; V296-L328 HydrophobicContact CG2-CD1 4.25Å; L301-L328 HydrophobicContact CD2-CD1 3.7Å; V324-L328 HydrophobicContact CG1-CD1 4.23Å; V324-L328 HydrophobicContact CG1-CG 4.3Å; V324-L328 WeakPolarHBondContact O-CG 3.43Å; V324-L328 PolarHBondContact O-N 3.35Å; I325-L328 HydrophobicContact CD1-CD1 4.3Å; I325-L328 PolarHBondContact O-N 2.86Å; L328-L330 PolarHBondContact O-N 3.44Å; L328-L330 VanDerWaalsContact O-N 3.16Å; L328-N331 PolarHBondContact O-N 3.47Å; L328-I338 HydrophobicContact CB-CD1 4.03Å
329	A	97.6	Very high	96.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.1	176.8	0	0	0	0	0	114.4	I325 N327 N331 H335 I338 N368 L369	I325-A329 WeakPolarHBondContact O-CB 3.47Å; I325-A329 PolarHBondContact O-N 3.22Å; N327-A329 PolarHBondContact O-N 3Å; A329-N331 PolarHBondContact O-N 3.44Å; A329-H335 PolarHBondContact O-NE2 2.92Å; A329-I338 HydrophobicContact CB-CD1 4.38Å; A329-N368 HydrophobicContact CB-CB 3.9Å; A329-N368 WeakPolarHBondContact O-CB 3.3Å; A329-L369 HydrophobicContact CB-CD2 3.98Å; A329-L369 HydrophobicContact CB-CG 3.93Å
330	L	96.1	Very high	96.1	Very high	32 Å²	32	28.3 Å²	28.3	17%	0.168	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.4	171.3	-71.5	163.4	0	0	0	112.2	N327 L328 N368 K377 Q379	N327-L330 VanDerWaalsContact O-CB 3.31Å; N327-L330 WeakPolarHBondContact O-CB 3.45Å; N327-L330 PolarHBondContact O-N 3.01Å; L328-L330 PolarHBondContact O-N 3.44Å; L328-L330 VanDerWaalsContact O-N 3.16Å; L330-N368 WeakPolarHBondContact CD2-ND2 3.37Å; L330-K377 HydrophobicContact CD2-CB 3.99Å; L330-Q379 HydrophobicContact CD1-CG 4.48Å
331	N	95.7	Very high	96	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.059	15%	0.149	C	C	.	.			trans	-91.3	111.6	179	-172.3	3.7	0	0	0	111.2	Q289 D293 L328 A329 S333 I334 H335	Q289-N331 PolarHBondContact NE2-ND2 3.25Å; Q289-N331 PolarHBondContact NE2-OD1 3.32Å; D293-N331 PolarHBondContact OD1-ND2 2.83Å; L328-N331 PolarHBondContact O-N 3.47Å; A329-N331 PolarHBondContact O-N 3.44Å; N331-S333 VanDerWaalsContact C-N 3.29Å; N331-S333 PolarHBondContact ND2-OG 3.38Å; N331-S333 PolarHBondContact O-N 3.01Å; N331-S333 PolarHBondContact OD1-N 2.88Å; N331-S333 PolarHBondContact OD1-OG 3.26Å; N331-I334 HydrophobicContact CB-CB 4.44Å; N331-I334 HydrophobicContact CB-CD1 3.91Å; N331-I334 HydrophobicContact CB-CG1 4.18Å; N331-I334 VanDerWaalsContact ND2-CD1 3.34Å; N331-I334 WeakPolarHBondContact ND2-CD1 3.45Å; N331-I334 PolarHBondContact O-N 3.19Å; N331-H335 PolarHBondContact O-CD2 3.45Å; N331-H335 PolarHBondContact O-NE2 3.05Å
332	E	95.1	Very high	95.8	Very high	100 Å²	100	28.7 Å²	28.7	47%	0.467	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-66	-27.8	-177.7	-66	170.8	-134.3	0	0	113.1	I334 H335 R371 K377	E332-I334 PolarHBondContact O-N 3.46Å; E332-H335 PolarHBondContact O-N 2.76Å; E332-R371 HydrophobicContact CG-CG 4.13Å; E332-K377 WeakPolarHBondContact OE1-CE 3.41Å; E332-K377 IonicContact OE1-NZ 2.7Å; E332-K377 PolarHBondContact OE1-NZ 2.83Å
333	S	94.9	Very high	95.7	Very high	82 Å²	82	28.8 Å²	28.8	57%	0.573	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-63.7	-27	176.4	63.4	0	0	0	0	112.6	D293 N331	D293-S333 PolarHBondContact OD1-OG 2.87Å; N331-S333 VanDerWaalsContact C-N 3.29Å; N331-S333 PolarHBondContact ND2-OG 3.38Å; N331-S333 PolarHBondContact O-N 3.01Å; N331-S333 PolarHBondContact OD1-N 2.88Å; N331-S333 PolarHBondContact OD1-OG 3.26Å
334	I	95.8	Very high	95.7	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-91.6	-13.8	-173.6	-62.2	177.5	0	0	0	112	C292 V296 N331 E332 Q336 A337 I338	C292-I334 VanDerWaalsContact C-CD1 3.47Å; C292-I334 HydrophobicContact CB-CD1 3.55Å; C292-I334 WeakPolarHBondContact O-CD1 3.34Å; V296-I334 HydrophobicContact CB-CG2 4.49Å; V296-I334 HydrophobicContact CG2-CD1 4.15Å; V296-I334 HydrophobicContact CG2-CG2 3.61Å; N331-I334 HydrophobicContact CB-CB 4.44Å; N331-I334 HydrophobicContact CB-CD1 3.91Å; N331-I334 HydrophobicContact CB-CG1 4.18Å; N331-I334 VanDerWaalsContact ND2-CD1 3.34Å; N331-I334 WeakPolarHBondContact ND2-CD1 3.45Å; N331-I334 PolarHBondContact O-N 3.19Å; E332-I334 PolarHBondContact O-N 3.46Å; I334-Q336 PolarHBondContact O-N 3.16Å; I334-Q336 VanDerWaalsContact O-N 3.13Å; I334-A337 HydrophobicContact CG2-CB 4.5Å; I334-A337 WeakPolarHBondContact O-CB 3.25Å; I334-A337 PolarHBondContact O-N 3.02Å; I334-I338 HydrophobicContact CG2-CD1 3.85Å; I334-I338 HydrophobicContact CG2-CG1 3.88Å; I334-I338 PolarHBondContact O-N 3.45Å; I334-I338 VanDerWaalsContact O-N 3.08Å
335	H	96.3	Very high	95.6	Very high	10 Å²	10	28 Å²	28	5%	0.046	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-40.6	-173	-69	-170.5	0	0	0	112.9	A329 N331 E332 A337 I338 V339 N368 L369	A329-H335 PolarHBondContact O-NE2 2.92Å; N331-H335 PolarHBondContact O-CD2 3.45Å; N331-H335 PolarHBondContact O-NE2 3.05Å; E332-H335 PolarHBondContact O-N 2.76Å; H335-A337 VanDerWaalsContact C-N 3.35Å; H335-A337 PolarHBondContact O-N 3.02Å; H335-I338 PolarHBondContact O-N 3.35Å; H335-V339 VanDerWaalsContact O-CG2 3.25Å; H335-V339 WeakPolarHBondContact O-CG2 3.36Å; H335-V339 PolarHBondContact O-N 3.01Å; H335-N368 PolarHBondContact CE1-O 2.89Å; H335-N368 VanDerWaalsContact CE1-O 3.28Å; H335-L369 HydrophobicContact CB-CD2 4.09Å
336	Q	95.1	Very high	95.5	Very high	114 Å²	114	28.4 Å²	28.4	53%	0.533	16%	0.156	S	C	.	.	H	α-helix	trans	-61.6	-42.5	177.4	-176.3	176.6	-7	0	0	111.9	I334 V339 Q340	I334-Q336 PolarHBondContact O-N 3.16Å; I334-Q336 VanDerWaalsContact O-N 3.13Å; Q336-V339 PolarHBondContact O-N 3.41Å; Q336-Q340 HydrophobicContact CG-CG 4.27Å; Q336-Q340 WeakPolarHBondContact O-CB 3.42Å; Q336-Q340 VanDerWaalsContact O-CG 3.26Å; Q336-Q340 WeakPolarHBondContact O-CG 3.34Å; Q336-Q340 PolarHBondContact O-N 3.06Å
337	A	95.5	Very high	95.5	Very high	29 Å²	29	28.4 Å²	28.4	24%	0.24	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-40.7	178.6	0	0	0	0	0	111.9	V296 L301 I334 H335 V339 Q340 S341	V296-A337 HydrophobicContact CG1-CB 3.79Å; L301-A337 HydrophobicContact CD1-CB 3.91Å; I334-A337 HydrophobicContact CG2-CB 4.5Å; I334-A337 WeakPolarHBondContact O-CB 3.25Å; I334-A337 PolarHBondContact O-N 3.02Å; H335-A337 VanDerWaalsContact C-N 3.35Å; H335-A337 PolarHBondContact O-N 3.02Å; A337-V339 VanDerWaalsContact C-N 3.33Å; A337-V339 PolarHBondContact O-N 2.86Å; A337-Q340 PolarHBondContact O-N 2.85Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 2.85Å; A337-S341 PolarHBondContact O-OG 3.05Å
338	I	96.6	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-44.2	175.5	-68.4	167.1	0	0	0	110.6	L301 I325 L328 A329 I334 H335 S341 W343 L369	L301-I338 HydrophobicContact CD1-CG1 4.4Å; L301-I338 HydrophobicContact CD2-CG1 4.25Å; I325-I338 HydrophobicContact CG2-CG2 4.4Å; L328-I338 HydrophobicContact CB-CD1 4.03Å; A329-I338 HydrophobicContact CB-CD1 4.38Å; I334-I338 HydrophobicContact CG2-CD1 3.85Å; I334-I338 HydrophobicContact CG2-CG1 3.88Å; I334-I338 PolarHBondContact O-N 3.45Å; I334-I338 VanDerWaalsContact O-N 3.08Å; H335-I338 PolarHBondContact O-N 3.35Å; I338-S341 PolarHBondContact O-OG 3.5Å; I338-S341 VanDerWaalsContact O-OG 3.05Å; I338-W343 HydrophobicContact CG2-CB 3.69Å; I338-W343 HydrophobicContact CG2-CG 4.4Å; I338-W343 WeakPolarHBondContact O-CB 3.26Å; I338-W343 PolarHBondContact O-N 3.05Å; I338-L369 HydrophobicContact CB-CD2 4.45Å; I338-L369 HydrophobicContact CD1-CD2 4.08Å; I338-L369 HydrophobicContact CG2-CD1 4.09Å; I338-L369 HydrophobicContact CG2-CD2 4.21Å
339	V	93.6	Very high	95.3	Very high	30 Å²	30	33 Å²	33	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-44.1	-178.8	176	0	0	0	0	111.5	Q178 V182 H335 Q336 A337 S341 G342 V344	Q178-V339 HydrophobicContact CB-CG1 4.06Å; Q178-V339 HydrophobicContact CB-CG2 4.41Å; Q178-V339 HydrophobicContact CG-CB 4.12Å; Q178-V339 HydrophobicContact CG-CG1 4.12Å; Q178-V339 HydrophobicContact CG-CG2 3.56Å; V182-V339 HydrophobicContact CG2-CG2 4.41Å; H335-V339 VanDerWaalsContact O-CG2 3.25Å; H335-V339 WeakPolarHBondContact O-CG2 3.36Å; H335-V339 PolarHBondContact O-N 3.01Å; Q336-V339 PolarHBondContact O-N 3.41Å; A337-V339 VanDerWaalsContact C-N 3.33Å; A337-V339 PolarHBondContact O-N 2.86Å; V339-S341 VanDerWaalsContact C-N 3.29Å; V339-S341 PolarHBondContact O-N 2.88Å; V339-G342 PolarHBondContact O-N 3.22Å; V339-V344 HydrophobicContact CB-CG2 4.16Å; V339-V344 HydrophobicContact CG1-CG2 4.25Å; V339-V344 HydrophobicContact CG2-CG2 3.54Å
340	Q	91.3	Very high	95.1	Very high	137 Å²	137	33.2 Å²	33.2	64%	0.64	18%	0.179	S	C	*	.	H	α-helix	trans	-66.1	-30	-180	-74	180	-17.5	0	0	113.4	Q336 A337 G342	Q336-Q340 HydrophobicContact CG-CG 4.27Å; Q336-Q340 WeakPolarHBondContact O-CB 3.42Å; Q336-Q340 VanDerWaalsContact O-CG 3.26Å; Q336-Q340 WeakPolarHBondContact O-CG 3.34Å; Q336-Q340 PolarHBondContact O-N 3.06Å; A337-Q340 PolarHBondContact O-N 2.85Å; Q340-G342 PolarHBondContact O-N 3.16Å
341	S	92.4	Very high	95	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.049	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.4	173.7	49.4	0	0	0	0	113.5	P199 Q305 A337 I338 V339	P199-S341 WeakPolarHBondContact CD-O 3.3Å; Q305-S341 PolarHBondContact OE1-O 3.35Å; A337-S341 WeakPolarHBondContact O-CB 3.47Å; A337-S341 PolarHBondContact O-N 2.85Å; A337-S341 PolarHBondContact O-OG 3.05Å; I338-S341 PolarHBondContact O-OG 3.5Å; I338-S341 VanDerWaalsContact O-OG 3.05Å; V339-S341 VanDerWaalsContact C-N 3.29Å; V339-S341 PolarHBondContact O-N 2.88Å
342	G	92.7	Very high	94.9	Very high	11 Å²	11	37.3 Å²	37.3	11%	0.113	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	10.2	174.5	0	0	0	0	0	114.8	V339 Q340 V344 S345	V339-G342 PolarHBondContact O-N 3.22Å; Q340-G342 PolarHBondContact O-N 3.16Å; G342-V344 PolarHBondContact O-N 2.88Å; G342-S345 PolarHBondContact O-N 3.21Å; G342-S345 PolarHBondContact O-OG 2.91Å
343	W	96.4	Very high	94.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-24.1	179.7	-78.4	105.2	0	0	0	113.7	L301 L304 Q305 Y308 I321 I325 I338 S345 V346 L347	L301-W343 WeakPolarHBondContact O-CZ2 3.48Å; L301-W343 PolarHBondContact O-NE1 3.15Å; L304-W343 HydrophobicContact CB-CH2 4Å; L304-W343 HydrophobicContact CB-CZ2 3.59Å; Q305-W343 HydrophobicContact CB-CH2 4.36Å; Q305-W343 HydrophobicContact CB-CZ2 3.8Å; Q305-W343 VanDerWaalsContact N-CZ2 3.34Å; Y308-W343 HydrophobicContact CD2-CH2 4.47Å; Y308-W343 HydrophobicContact CD2-CZ3 4.19Å; Y308-W343 HydrophobicContact CG-CZ3 4.45Å; I321-W343 HydrophobicContact CG2-CH2 3.47Å; I321-W343 VanDerWaalsContact CG2-CH2 3.47Å; I321-W343 HydrophobicContact CG2-CZ2 4.42Å; I321-W343 HydrophobicContact CG2-CZ3 3.9Å; I325-W343 HydrophobicContact CD1-CD2 3.71Å; I325-W343 HydrophobicContact CD1-CE3 4.19Å; I325-W343 HydrophobicContact CD1-CG 4.11Å; I325-W343 HydrophobicContact CD1-CH2 4.31Å; I325-W343 HydrophobicContact CD1-CZ2 3.83Å; I325-W343 HydrophobicContact CD1-CZ3 4.47Å; I325-W343 HydrophobicContact CG1-CD2 3.86Å; I325-W343 HydrophobicContact CG1-CE3 3.82Å; I325-W343 HydrophobicContact CG1-CG 4.48Å; I325-W343 HydrophobicContact CG1-CH2 4.2Å; I325-W343 HydrophobicContact CG1-CZ2 4.22Å; I325-W343 HydrophobicContact CG1-CZ3 3.99Å; I325-W343 HydrophobicContact CG2-CB 4.49Å; I325-W343 HydrophobicContact CG2-CG 4.5Å; I338-W343 HydrophobicContact CG2-CB 3.69Å; I338-W343 HydrophobicContact CG2-CG 4.4Å; I338-W343 WeakPolarHBondContact O-CB 3.26Å; I338-W343 PolarHBondContact O-N 3.05Å; W343-S345 VanDerWaalsContact C-N 3.27Å; W343-S345 PolarHBondContact O-N 3.37Å; W343-V346 HydrophobicContact CE3-CB 4Å; W343-V346 HydrophobicContact CE3-CG1 4.02Å; W343-V346 HydrophobicContact CE3-CG2 4.31Å; W343-V346 HydrophobicContact CZ3-CB 4.4Å; W343-V346 HydrophobicContact CZ3-CG1 3.96Å; W343-V346 PolarHBondContact O-N 3.12Å; W343-L347 WeakPolarHBondContact O-CB 3.39Å; W343-L347 WeakPolarHBondContact O-CG 3.23Å; W343-L347 PolarHBondContact O-N 3.09Å
344	V	96.6	Very high	94.4	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-36	177.5	178.6	0	0	0	0	111.5	A181 V182 A185 F195 V339 G342 A348 L369	A181-V344 HydrophobicContact CB-CG1 4.32Å; V182-V344 HydrophobicContact CG2-CG2 4.19Å; A185-V344 HydrophobicContact CB-CG1 3.91Å; F195-V344 HydrophobicContact CD1-CG1 4.03Å; F195-V344 HydrophobicContact CE1-CG1 4.05Å; V339-V344 HydrophobicContact CB-CG2 4.16Å; V339-V344 HydrophobicContact CG1-CG2 4.25Å; V339-V344 HydrophobicContact CG2-CG2 3.54Å; G342-V344 PolarHBondContact O-N 2.88Å; V344-A348 VanDerWaalsContact O-CB 3.31Å; V344-A348 WeakPolarHBondContact O-CB 3.36Å; V344-A348 PolarHBondContact O-N 3.15Å; V344-L369 HydrophobicContact CG2-CD1 4.46Å
345	S	95	Very high	94.2	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-45.4	176.3	73.2	0	0	0	0	111	F195 R196 P198 G342 W343 L347 A348 E349	F195-S345 VanDerWaalsContact CB-CB 3.48Å; R196-S345 WeakPolarHBondContact O-CB 3.3Å; R196-S345 PolarHBondContact O-OG 3.3Å; P198-S345 WeakPolarHBondContact CD-OG 3.38Å; G342-S345 PolarHBondContact O-N 3.21Å; G342-S345 PolarHBondContact O-OG 2.91Å; W343-S345 VanDerWaalsContact C-N 3.27Å; W343-S345 PolarHBondContact O-N 3.37Å; S345-L347 VanDerWaalsContact C-N 3.33Å; S345-L347 PolarHBondContact O-N 3.33Å; S345-A348 PolarHBondContact O-N 2.96Å; S345-E349 WeakPolarHBondContact O-CB 3.43Å; S345-E349 PolarHBondContact O-N 2.93Å
346	V	95.8	Very high	94	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-42.3	178.3	-178.4	0	0	0	0	110.6	P198 Y308 W343 E349 T350	P198-V346 HydrophobicContact CG-CG2 3.66Å; Y308-V346 HydrophobicContact CD1-CG1 4.16Å; Y308-V346 HydrophobicContact CD2-CG1 4.35Å; Y308-V346 HydrophobicContact CE1-CG1 3.58Å; Y308-V346 HydrophobicContact CE2-CG1 3.77Å; W343-V346 HydrophobicContact CE3-CB 4Å; W343-V346 HydrophobicContact CE3-CG1 4.02Å; W343-V346 HydrophobicContact CE3-CG2 4.31Å; W343-V346 HydrophobicContact CZ3-CB 4.4Å; W343-V346 HydrophobicContact CZ3-CG1 3.96Å; W343-V346 PolarHBondContact O-N 3.12Å; V346-E349 PolarHBondContact O-N 3.29Å; V346-T350 VanDerWaalsContact O-CB 3.29Å; V346-T350 WeakPolarHBondContact O-CB 3.27Å; V346-T350 PolarHBondContact O-N 3.27Å; V346-T350 PolarHBondContact O-OG1 2.86Å
347	L	97.1	Very high	93.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-41.7	176.6	-68.3	173.3	0	0	0	111.8	V322 I325 W343 S345 E349 T350 M351 A362 A365 L366 L369	V322-L347 HydrophobicContact CG1-CD2 3.95Å; I325-L347 HydrophobicContact CG2-CD1 4.11Å; I325-L347 HydrophobicContact CG2-CD2 4.31Å; W343-L347 WeakPolarHBondContact O-CB 3.39Å; W343-L347 WeakPolarHBondContact O-CG 3.23Å; W343-L347 PolarHBondContact O-N 3.09Å; S345-L347 VanDerWaalsContact C-N 3.33Å; S345-L347 PolarHBondContact O-N 3.33Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 2.9Å; L347-T350 PolarHBondContact O-N 3.44Å; L347-M351 VanDerWaalsContact O-CG 3.31Å; L347-M351 WeakPolarHBondContact O-CG 3.46Å; L347-M351 PolarHBondContact O-N 3.24Å; L347-A362 HydrophobicContact CD2-CB 4.11Å; L347-A365 HydrophobicContact CD1-CB 3.9Å; L347-A365 HydrophobicContact CD2-CB 3.78Å; L347-L366 HydrophobicContact CB-CD1 4.2Å; L347-L366 HydrophobicContact CB-CD2 3.84Å; L347-L366 HydrophobicContact CB-CG 3.91Å; L347-L366 HydrophobicContact CD1-CD2 4.03Å; L347-L366 HydrophobicContact CD1-CG 4.31Å; L347-L369 HydrophobicContact CD1-CD1 3.89Å
348	A	96.1	Very high	93.6	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-35.8	176.5	0	0	0	0	0	112.4	A185 L192 F195 V344 S345	A185-A348 HydrophobicContact CB-CB 3.9Å; L192-A348 HydrophobicContact CD2-CB 4.06Å; F195-A348 HydrophobicContact CD2-CB 3.91Å; F195-A348 HydrophobicContact CE2-CB 3.6Å; F195-A348 HydrophobicContact CZ-CB 3.94Å; V344-A348 VanDerWaalsContact O-CB 3.31Å; V344-A348 WeakPolarHBondContact O-CB 3.36Å; V344-A348 PolarHBondContact O-N 3.15Å; S345-A348 PolarHBondContact O-N 2.96Å
349	E	94.9	Very high	93.5	Very high	97 Å²	97	35.3 Å²	35.3	45%	0.453	19%	0.187	S	C	.	.	H	α-helix	trans	-69.6	-47.9	171.9	-176.5	178.4	-176.6	0	0	111.3	L192 S345 V346 L347 M351 K352	L192-E349 HydrophobicContact CD1-CB 4.24Å; L192-E349 HydrophobicContact CD1-CG 4.24Å; L192-E349 HydrophobicContact CD2-CB 4.47Å; S345-E349 WeakPolarHBondContact O-CB 3.43Å; S345-E349 PolarHBondContact O-N 2.93Å; V346-E349 PolarHBondContact O-N 3.29Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 2.9Å; E349-M351 PolarHBondContact O-N 3.31Å; E349-K352 WeakPolarHBondContact O-CA 3.44Å; E349-K352 WeakPolarHBondContact O-CB 3.48Å; E349-K352 PolarHBondContact O-N 3.09Å
350	T	94.9	Very high	93.5	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-31.4	-179.6	-55.4	0	0	0	0	112.1	Y308 V322 V346 L347 K352 S353 E358 A359 A362	Y308-T350 PolarHBondContact OH-OG1 2.92Å; V322-T350 HydrophobicContact CG1-CG2 4.46Å; V322-T350 HydrophobicContact CG2-CG2 4.2Å; V346-T350 VanDerWaalsContact O-CB 3.29Å; V346-T350 WeakPolarHBondContact O-CB 3.27Å; V346-T350 PolarHBondContact O-N 3.27Å; V346-T350 PolarHBondContact O-OG1 2.86Å; L347-T350 PolarHBondContact O-N 3.44Å; T350-K352 PolarHBondContact O-N 2.97Å; T350-S353 WeakPolarHBondContact O-CB 3.44Å; T350-S353 PolarHBondContact O-N 2.84Å; T350-E358 HydrophobicContact CG2-CB 3.92Å; T350-A359 WeakPolarHBondContact O-CA 3.3Å; T350-A362 HydrophobicContact CG2-CB 3.76Å
351	M	93.6	Very high	93.7	Very high	32 Å²	32	27.4 Å²	27.4	16%	0.158	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.2	171.5	-85.3	-63.1	-66.6	0	0	113.6	L347 E349 A362 A363 L366 Q388	L347-M351 VanDerWaalsContact O-CG 3.31Å; L347-M351 WeakPolarHBondContact O-CG 3.46Å; L347-M351 PolarHBondContact O-N 3.24Å; E349-M351 PolarHBondContact O-N 3.31Å; M351-A362 HydrophobicContact CG-CB 4.02Å; M351-A362 HydrophobicContact SD-CB 4.14Å; M351-A363 HydrophobicContact CE-CB 4.06Å; M351-A363 WeakPolarHBondContact SD-CA 3.43Å; M351-A363 HydrophobicContact SD-CB 3.47Å; M351-A363 WeakPolarHBondContact SD-CB 3.37Å; M351-A363 PolarHBondContact SD-N 2.57Å; M351-L366 HydrophobicContact CG-CD1 3.51Å; M351-L366 HydrophobicContact SD-CD1 4.33Å; M351-Q388 HydrophobicContact CE-CB 3.9Å
352	K	92.3	Very high	94	Very high	97 Å²	97	27.1 Å²	27.1	42%	0.422	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.3	177.9	-55.5	-176	-179	-171.5	0	113	V190 L192 E349 T350	V190-K352 WeakPolarHBondContact O-CE 3.38Å; V190-K352 PolarHBondContact O-NZ 3.39Å; L192-K352 HydrophobicContact CD2-CD 4.45Å; E349-K352 WeakPolarHBondContact O-CA 3.44Å; E349-K352 WeakPolarHBondContact O-CB 3.48Å; E349-K352 PolarHBondContact O-N 3.09Å; T350-K352 PolarHBondContact O-N 2.97Å
353	S	91.8	Very high	94.2	Very high	27 Å²	27	26.6 Å²	26.6	19%	0.189	14%	0.14	C	C	.	.			trans	-59.2	138.7	178.1	179.4	0	0	0	0	110.4	T350 H355 E358	T350-S353 WeakPolarHBondContact O-CB 3.44Å; T350-S353 PolarHBondContact O-N 2.84Å; S353-H355 PolarHBondContact O-N 3.44Å; S353-H355 PolarHBondContact OG-N 3.1Å; S353-E358 PolarHBondContact OG-OE2 3.22Å; S353-E358 VanDerWaalsContact OG-OE2 3.09Å
354	P	89.7	Confident	94.2	Very high	110 Å²	110	26.6 Å²	26.6	71%	0.714	14%	0.141	S	C	*	.	S	Bend	trans	-65.3	-20.6	172.1	29.2	-35.4	0	0	0	111.7	V356	P354-V356 PolarHBondContact O-N 2.91Å
355	H	90.8	Very high	94.3	Very high	74 Å²	74	26.3 Å²	26.3	34%	0.343	14%	0.139	S	C	.	.	S	Bend	trans	-82.2	108.2	179.6	-59.2	-54.9	0	0	0	111.1	L315 S353 M357 E358 A359	L315-H355 VanDerWaalsContact CD2-CD2 3.47Å; L315-H355 WeakPolarHBondContact CD2-CD2 3.42Å; S353-H355 PolarHBondContact O-N 3.44Å; S353-H355 PolarHBondContact OG-N 3.1Å; H355-M357 PolarHBondContact O-N 3.17Å; H355-E358 HydrophobicContact CB-CG 4.33Å; H355-E358 IonicContact CD2-OE2 3.45Å; H355-E358 PolarHBondContact O-N 2.87Å; H355-E358 VanDerWaalsContact O-N 3.17Å; H355-A359 PolarHBondContact O-N 3.34Å
356	V	91.1	Very high	94.4	Very high	18 Å²	18	26 Å²	26	11%	0.109	14%	0.136	C	C	.	.	H	α-helix	trans	-55.6	-33.5	-172.2	69.9	0	0	0	0	114	P354 S360 F410 E435 C436 K439	P354-V356 PolarHBondContact O-N 2.91Å; V356-S360 VanDerWaalsContact O-CB 3.28Å; V356-S360 WeakPolarHBondContact O-CB 3.35Å; V356-S360 PolarHBondContact O-N 3.4Å; V356-F410 HydrophobicContact CB-CD1 4.28Å; V356-F410 HydrophobicContact CB-CE1 4.43Å; V356-F410 HydrophobicContact CG1-CB 3.87Å; V356-F410 HydrophobicContact CG1-CD1 3.54Å; V356-F410 HydrophobicContact CG1-CD2 4.16Å; V356-F410 HydrophobicContact CG1-CE1 4.11Å; V356-F410 HydrophobicContact CG1-CG 3.56Å; V356-F410 HydrophobicContact CG2-CD1 3.7Å; V356-F410 HydrophobicContact CG2-CE1 3.51Å; V356-F410 HydrophobicContact CG2-CG 4.49Å; V356-F410 HydrophobicContact CG2-CZ 4.18Å; V356-E435 HydrophobicContact CB-CB 4.3Å; V356-E435 VanDerWaalsContact CB-OE2 3.26Å; V356-E435 WeakPolarHBondContact CB-OE2 3.26Å; V356-E435 HydrophobicContact CG1-CB 3.92Å; V356-E435 WeakPolarHBondContact CG1-OE2 3.21Å; V356-E435 PolarHBondContact N-OE2 3.46Å; V356-E435 VanDerWaalsContact N-OE2 3.1Å; V356-C436 HydrophobicContact CG2-CB 4.21Å; V356-K439 HydrophobicContact CG2-CD 3.58Å
357	M	90.6	Very high	94.5	Very high	47 Å²	47	25.6 Å²	25.6	23%	0.232	13%	0.134	C	C	.	.	H	α-helix	trans	-72.6	-40.1	-176	-170.9	173.8	-77.2	0	0	112.6	R319 H355 S360 H361 F410	R319-M357 WeakPolarHBondContact CD-SD 3.34Å; R319-M357 HydrophobicContact CG-CG 4.34Å; R319-M357 HydrophobicContact CG-SD 4.36Å; R319-M357 PolarHBondContact NE-SD 3.01Å; R319-M357 PolarHBondContact NH1-SD 3.37Å; H355-M357 PolarHBondContact O-N 3.17Å; M357-S360 PolarHBondContact O-N 3.36Å; M357-H361 PolarHBondContact O-CD2 3.35Å; M357-H361 PolarHBondContact O-N 3.37Å; M357-H361 VanDerWaalsContact O-N 3.11Å; M357-F410 HydrophobicContact CB-CD2 3.9Å; M357-F410 HydrophobicContact CB-CE2 4.12Å; M357-F410 HydrophobicContact CE-CB 4.49Å; M357-F410 HydrophobicContact CE-CD2 3.76Å; M357-F410 HydrophobicContact CG-CD2 4.05Å; M357-F410 HydrophobicContact CG-CE2 4.16Å
358	E	91.9	Very high	94.5	Very high	19 Å²	19	25.6 Å²	25.6	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-67.8	-48.3	176.1	-65.1	-177	150.6	0	0	110.4	Q318 R319 T350 S353 H355 S360 H361 A362	Q318-E358 WeakPolarHBondContact CB-OE1 3.43Å; R319-E358 HydrophobicContact CB-CG 4.3Å; T350-E358 HydrophobicContact CG2-CB 3.92Å; S353-E358 PolarHBondContact OG-OE2 3.22Å; S353-E358 VanDerWaalsContact OG-OE2 3.09Å; H355-E358 HydrophobicContact CB-CG 4.33Å; H355-E358 IonicContact CD2-OE2 3.45Å; H355-E358 PolarHBondContact O-N 2.87Å; H355-E358 VanDerWaalsContact O-N 3.17Å; E358-S360 PolarHBondContact O-N 2.89Å; E358-H361 PolarHBondContact O-N 2.67Å; E358-H361 VanDerWaalsContact O-N 3.14Å; E358-A362 PolarHBondContact O-N 3.37Å
359	A	94.4	Very high	94.6	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.033	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-39.6	176.1	0	0	0	0	0	111.6	T350 H355 A362 A363	T350-A359 WeakPolarHBondContact O-CA 3.3Å; H355-A359 PolarHBondContact O-N 3.34Å; A359-A362 PolarHBondContact O-N 2.94Å; A359-A363 WeakPolarHBondContact O-CB 3.43Å; A359-A363 PolarHBondContact O-N 3.43Å
360	S	94.8	Very high	94.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.9	-37.5	177.7	-165.8	0	0	0	0	113.4	V356 M357 E358 A362 A363 R364 Y383	V356-S360 VanDerWaalsContact O-CB 3.28Å; V356-S360 WeakPolarHBondContact O-CB 3.35Å; V356-S360 PolarHBondContact O-N 3.4Å; M357-S360 PolarHBondContact O-N 3.36Å; E358-S360 PolarHBondContact O-N 2.89Å; S360-A362 VanDerWaalsContact C-N 3.33Å; S360-A363 PolarHBondContact O-N 2.89Å; S360-R364 PolarHBondContact O-N 3.11Å; S360-Y383 WeakPolarHBondContact OG-CD1 3.45Å
361	H	95.8	Very high	94.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-38.1	172.3	-72.5	-41.9	0	0	0	111.8	V322 M357 E358 R364 A365 Y383	V322-H361 HydrophobicContact CB-CB 4.37Å; V322-H361 HydrophobicContact CG1-CB 3.74Å; M357-H361 PolarHBondContact O-CD2 3.35Å; M357-H361 PolarHBondContact O-N 3.37Å; M357-H361 VanDerWaalsContact O-N 3.11Å; E358-H361 PolarHBondContact O-N 2.67Å; E358-H361 VanDerWaalsContact O-N 3.14Å; H361-R364 PolarHBondContact O-N 3.02Å; H361-A365 PolarHBondContact O-N 3.06Å; H361-Y383 AromaticContact CE1-CE1 3.55Å; H361-Y383 AromaticContact CE1-CZ 3.96Å; H361-Y383 AromaticContact ND1-CE1 3.91Å
362	A	97.2	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-43	174	0	0	0	0	0	112	V322 L347 T350 M351 E358 A359 S360 R364 A365 L366	V322-A362 HydrophobicContact CG1-CB 4.17Å; L347-A362 HydrophobicContact CD2-CB 4.11Å; T350-A362 HydrophobicContact CG2-CB 3.76Å; M351-A362 HydrophobicContact CG-CB 4.02Å; M351-A362 HydrophobicContact SD-CB 4.14Å; E358-A362 PolarHBondContact O-N 3.37Å; A359-A362 PolarHBondContact O-N 2.94Å; S360-A362 VanDerWaalsContact C-N 3.33Å; A362-R364 VanDerWaalsContact C-N 3.31Å; A362-R364 PolarHBondContact O-N 3.24Å; A362-A365 PolarHBondContact O-N 3.27Å; A362-L366 WeakPolarHBondContact O-CG 3.43Å; A362-L366 PolarHBondContact O-N 2.84Å
363	A	96.8	Very high	94.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.7	-45.5	175.8	0	0	0	0	0	111.3	M351 A359 S360 A367 Q388	M351-A363 HydrophobicContact CE-CB 4.06Å; M351-A363 WeakPolarHBondContact SD-CA 3.43Å; M351-A363 HydrophobicContact SD-CB 3.47Å; M351-A363 WeakPolarHBondContact SD-CB 3.37Å; M351-A363 PolarHBondContact SD-N 2.57Å; A359-A363 WeakPolarHBondContact O-CB 3.43Å; A359-A363 PolarHBondContact O-N 3.43Å; S360-A363 PolarHBondContact O-N 2.89Å; A363-A367 VanDerWaalsContact O-CB 3.25Å; A363-A367 WeakPolarHBondContact O-CB 3.38Å; A363-A367 PolarHBondContact O-N 3.48Å; A363-Q388 HydrophobicContact CB-CB 4.01Å; A363-Q388 HydrophobicContact CB-CG 4.22Å
364	R	97.3	Very high	94.1	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-46.8	176	-174.4	-173	68	113.3	-7.4	111.7	R323 G326 N327 S360 H361 A362 A367 N368 D380	R323-R364 PolarHBondContact O-NH2 2.93Å; G326-R364 VanDerWaalsContact C-NH2 3.32Å; G326-R364 PolarHBondContact O-NH1 3.12Å; N327-R364 PolarHBondContact OD1-NH1 3.47Å; N327-R364 PolarHBondContact OD1-NH2 2.86Å; S360-R364 PolarHBondContact O-N 3.11Å; H361-R364 PolarHBondContact O-N 3.02Å; A362-R364 VanDerWaalsContact C-N 3.31Å; A362-R364 PolarHBondContact O-N 3.24Å; R364-A367 PolarHBondContact O-N 2.73Å; R364-N368 WeakPolarHBondContact O-CB 3.45Å; R364-N368 PolarHBondContact O-N 2.91Å; R364-N368 PolarHBondContact O-ND2 3.44Å; R364-D380 IonicContact NH2-OD1 4Å
365	A	97.9	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-49.6	179.1	0	0	0	0	0	111.2	L347 H361 A362 A367 N368 L369	L347-A365 HydrophobicContact CD1-CB 3.9Å; L347-A365 HydrophobicContact CD2-CB 3.78Å; H361-A365 PolarHBondContact O-N 3.06Å; A362-A365 PolarHBondContact O-N 3.27Å; A365-A367 PolarHBondContact O-N 2.98Å; A365-N368 PolarHBondContact O-N 3.37Å; A365-L369 WeakPolarHBondContact O-CG 3.25Å; A365-L369 PolarHBondContact O-N 2.75Å
366	L	97.8	Very high	94.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-41.9	178.1	-70.2	171.6	0	0	0	112.1	A185 R186 L347 M351 A362 N368 L369 D370	A185-L366 HydrophobicContact CB-CD1 4.07Å; A185-L366 HydrophobicContact CB-CD2 3.71Å; R186-L366 WeakPolarHBondContact CD-O 3.47Å; R186-L366 HydrophobicContact CG-CB 3.74Å; R186-L366 HydrophobicContact CG-CD1 4.48Å; L347-L366 HydrophobicContact CB-CD1 4.2Å; L347-L366 HydrophobicContact CB-CD2 3.84Å; L347-L366 HydrophobicContact CB-CG 3.91Å; L347-L366 HydrophobicContact CD1-CD2 4.03Å; L347-L366 HydrophobicContact CD1-CG 4.31Å; M351-L366 HydrophobicContact CG-CD1 3.51Å; M351-L366 HydrophobicContact SD-CD1 4.33Å; A362-L366 WeakPolarHBondContact O-CG 3.43Å; A362-L366 PolarHBondContact O-N 2.84Å; L366-N368 VanDerWaalsContact C-N 3.29Å; L366-N368 PolarHBondContact O-N 3.26Å; L366-L369 HydrophobicContact CD2-CD1 4.42Å; L366-L369 PolarHBondContact O-N 3.27Å; L366-D370 WeakPolarHBondContact O-CB 3.47Å; L366-D370 PolarHBondContact O-N 3.03Å
367	A	97	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-40.6	175.6	0	0	0	0	0	111.8	A363 R364 A365 D370 R371 Y378 I384	A363-A367 VanDerWaalsContact O-CB 3.25Å; A363-A367 WeakPolarHBondContact O-CB 3.38Å; A363-A367 PolarHBondContact O-N 3.48Å; R364-A367 PolarHBondContact O-N 2.73Å; A365-A367 PolarHBondContact O-N 2.98Å; A367-D370 PolarHBondContact O-N 3.24Å; A367-R371 PolarHBondContact O-NH2 3.33Å; A367-Y378 HydrophobicContact CB-CD2 4Å; A367-Y378 HydrophobicContact CB-CE2 4.1Å; A367-I384 HydrophobicContact CB-CD1 3.57Å
368	N	97.6	Very high	95	Very high	2 Å²	2	25 Å²	25	1%	0.011	11%	0.111	C	C	.	.	H	α-helix	trans	-69.5	-34.7	175.9	-72.8	-22.9	0	0	0	112.6	A329 L330 H335 R364 A365 L366 D370 R371 Y378	A329-N368 HydrophobicContact CB-CB 3.9Å; A329-N368 WeakPolarHBondContact O-CB 3.3Å; L330-N368 WeakPolarHBondContact CD2-ND2 3.37Å; H335-N368 PolarHBondContact CE1-O 2.89Å; H335-N368 VanDerWaalsContact CE1-O 3.28Å; R364-N368 WeakPolarHBondContact O-CB 3.45Å; R364-N368 PolarHBondContact O-N 2.91Å; R364-N368 PolarHBondContact O-ND2 3.44Å; A365-N368 PolarHBondContact O-N 3.37Å; L366-N368 VanDerWaalsContact C-N 3.29Å; L366-N368 PolarHBondContact O-N 3.26Å; N368-D370 VanDerWaalsContact C-N 3.3Å; N368-D370 PolarHBondContact O-N 3.45Å; N368-R371 PolarHBondContact O-NE 3.34Å; N368-R371 PolarHBondContact O-NH2 2.82Å; N368-Y378 PolarHBondContact ND2-O 2.8Å; N368-Y378 PolarHBondContact OD1-N 3.25Å
369	L	97.5	Very high	95.2	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-68.3	-28.5	172.1	-68.3	172	0	0	0	112.7	V182 A329 H335 I338 V344 L347 A365 L366 R371	V182-L369 HydrophobicContact CG1-CB 3.88Å; V182-L369 HydrophobicContact CG2-CB 3.95Å; V182-L369 HydrophobicContact CG2-CD1 4.48Å; A329-L369 HydrophobicContact CB-CD2 3.98Å; A329-L369 HydrophobicContact CB-CG 3.93Å; H335-L369 HydrophobicContact CB-CD2 4.09Å; I338-L369 HydrophobicContact CB-CD2 4.45Å; I338-L369 HydrophobicContact CD1-CD2 4.08Å; I338-L369 HydrophobicContact CG2-CD1 4.09Å; I338-L369 HydrophobicContact CG2-CD2 4.21Å; V344-L369 HydrophobicContact CG2-CD1 4.46Å; L347-L369 HydrophobicContact CD1-CD1 3.89Å; A365-L369 WeakPolarHBondContact O-CG 3.25Å; A365-L369 PolarHBondContact O-N 2.75Å; L366-L369 HydrophobicContact CD2-CD1 4.42Å; L366-L369 PolarHBondContact O-N 3.27Å; L369-R371 PolarHBondContact O-N 3.47Å
370	D	95.9	Very high	95.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	12%	0.12	C	C	.	.			trans	-84.4	72.2	-175.7	-169.8	-0.7	0	0	0	113	V182 R186 L366 A367 N368 E372 A373 V374 R390	V182-D370 HydrophobicContact CG1-CB 3.69Å; R186-D370 WeakPolarHBondContact CD-OD2 3.49Å; R186-D370 IonicContact CZ-OD2 3.23Å; R186-D370 IonicContact NE-OD2 2.66Å; R186-D370 IonicContact NH1-OD2 2.77Å; R186-D370 PolarHBondContact NH1-OD2 2.86Å; L366-D370 WeakPolarHBondContact O-CB 3.47Å; L366-D370 PolarHBondContact O-N 3.03Å; A367-D370 PolarHBondContact O-N 3.24Å; N368-D370 VanDerWaalsContact C-N 3.3Å; N368-D370 PolarHBondContact O-N 3.45Å; D370-E372 PolarHBondContact O-N 3.35Å; D370-E372 PolarHBondContact OD1-N 3.19Å; D370-A373 PolarHBondContact OD1-N 2.85Å; D370-A373 VanDerWaalsContact OD2-CB 3.29Å; D370-A373 WeakPolarHBondContact OD2-CB 3.37Å; D370-V374 WeakPolarHBondContact O-CB 3.44Å; D370-V374 PolarHBondContact O-N 3.25Å; D370-R390 VanDerWaalsContact CG-NH2 3.31Å; D370-R390 IonicContact OD1-CZ 3.4Å; D370-R390 IonicContact OD1-NE 2.79Å; D370-R390 IonicContact OD1-NH2 3.98Å; D370-R390 PolarHBondContact OD1-NH2 3.03Å; D370-R390 IonicContact OD2-CZ 2.7Å; D370-R390 IonicContact OD2-NE 3.25Å; D370-R390 PolarHBondContact OD2-NE 3.02Å; D370-R390 IonicContact OD2-NH2 3.7Å; D370-R390 PolarHBondContact OD2-NH2 3.38Å
371	R	93.1	Very high	95	Very high	62 Å²	62	27 Å²	27	23%	0.234	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.6	175.5	-58.6	-60.6	85.2	-167.3	1.7	114	E332 A367 N368 L369 V374 R375 E376	E332-R371 HydrophobicContact CG-CG 4.13Å; A367-R371 PolarHBondContact O-NH2 3.33Å; N368-R371 PolarHBondContact O-NE 3.34Å; N368-R371 PolarHBondContact O-NH2 2.82Å; L369-R371 PolarHBondContact O-N 3.47Å; R371-V374 VanDerWaalsContact CZ-O 3.26Å; R371-V374 PolarHBondContact NH1-O 2.94Å; R371-V374 PolarHBondContact NH2-O 3.45Å; R371-R375 PolarHBondContact NH1-O 3.35Å; R371-R375 VanDerWaalsContact NH1-O 3.07Å; R371-E376 PolarHBondContact NH1-O 2.68Å; R371-E376 PolarHBondContact NH2-O 3.19Å
372	E	89.6	Confident	95	Very high	28 Å²	28	27 Å²	27	13%	0.131	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-48.7	174.5	176.8	171.1	-125.5	0	0	111.3	K148 R151 L152 D370 R390	K148-E372 WeakPolarHBondContact CE-O 3.34Å; K148-E372 HydrophobicContact CG-CG 4.36Å; K148-E372 PolarHBondContact NZ-O 2.9Å; R151-E372 IonicContact CZ-OE1 3.58Å; R151-E372 IonicContact NE-OE1 2.79Å; R151-E372 PolarHBondContact NE-OE1 3.21Å; R151-E372 IonicContact NH2-OE1 3.52Å; R151-E372 PolarHBondContact NH2-OE1 3.42Å; L152-E372 HydrophobicContact CD2-CG 4.15Å; D370-E372 PolarHBondContact O-N 3.35Å; D370-E372 PolarHBondContact OD1-N 3.19Å; E372-R390 IonicContact OE2-CZ 3.14Å; E372-R390 IonicContact OE2-NH1 3.41Å; E372-R390 IonicContact OE2-NH2 3.49Å; E372-R390 PolarHBondContact OE2-NH2 3.41Å
373	A	88.8	Confident	94.9	Very high	39 Å²	39	27.2 Å²	27.2	32%	0.322	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-31.3	-178.6	0	0	0	0	0	113.2	D370 R390	D370-A373 PolarHBondContact OD1-N 2.85Å; D370-A373 VanDerWaalsContact OD2-CB 3.29Å; D370-A373 WeakPolarHBondContact OD2-CB 3.37Å; A373-R390 HydrophobicContact CB-CG 4.15Å
374	V	91.4	Very high	94.9	Very high	13 Å²	13	27.3 Å²	27.3	8%	0.079	12%	0.123	C	C	.	.			trans	-116.4	130.6	-171.7	178.1	0	0	0	0	110.3	D370 R371 E376 Y378	D370-V374 WeakPolarHBondContact O-CB 3.44Å; D370-V374 PolarHBondContact O-N 3.25Å; R371-V374 VanDerWaalsContact CZ-O 3.26Å; R371-V374 PolarHBondContact NH1-O 2.94Å; R371-V374 PolarHBondContact NH2-O 3.45Å; V374-E376 HydrophobicContact CG1-CB 4.09Å; V374-E376 WeakPolarHBondContact CG1-O 3.32Å; V374-Y378 HydrophobicContact CG1-CE2 3.82Å
375	R	92.4	Very high	94.9	Very high	222 Å²	222	27.4 Å²	27.4	84%	0.838	12%	0.124	S	C	*	.			trans	-98.3	-33.6	174.9	-68	-179.8	176	173.7	-0.9	111.3	R371	R371-R375 PolarHBondContact NH1-O 3.35Å; R371-R375 VanDerWaalsContact NH1-O 3.07Å
376	E	94.6	Very high	94.8	Very high	40 Å²	40	29 Å²	29	19%	0.187	13%	0.131	C	C	.	.	S	Bend	trans	-58.5	150.2	178.1	-59.8	86.7	163.2	0	0	111.3	R371 V374 Y378 R450 A490 R495	R371-E376 PolarHBondContact NH1-O 2.68Å; R371-E376 PolarHBondContact NH2-O 3.19Å; V374-E376 HydrophobicContact CG1-CB 4.09Å; V374-E376 WeakPolarHBondContact CG1-O 3.32Å; E376-Y378 HydrophobicContact CB-CE2 4.16Å; E376-R450 IonicContact OE1-NH1 3.34Å; E376-A490 WeakPolarHBondContact CG-O 3.37Å; E376-R495 IonicContact OE1-NH2 2.66Å
377	K	95.8	Very high	94.6	Very high	68 Å²	68	29.7 Å²	29.7	30%	0.296	14%	0.136	S	C	.	.			trans	-118.2	117.9	177.2	-66	-167.2	178	-161.4	0	109.3	L330 E332 Q379 L489	L330-K377 HydrophobicContact CD2-CB 3.99Å; E332-K377 WeakPolarHBondContact OE1-CE 3.41Å; E332-K377 IonicContact OE1-NZ 2.7Å; E332-K377 PolarHBondContact OE1-NZ 2.83Å; K377-Q379 PolarHBondContact O-N 3.24Å; K377-L489 HydrophobicContact CB-CB 4.48Å; K377-L489 PolarHBondContact N-O 3.34Å; K377-L489 CarbonylContact O-C 3.57Å
378	Y	97.1	Very high	94.4	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.047	14%	0.141	C	C	.	.			trans	-96.2	96.3	-176.8	-61.2	-77.7	0	0	0	110.4	A367 N368 V374 E376 V382 I384 R450 L452 A490	A367-Y378 HydrophobicContact CB-CD2 4Å; A367-Y378 HydrophobicContact CB-CE2 4.1Å; N368-Y378 PolarHBondContact ND2-O 2.8Å; N368-Y378 PolarHBondContact OD1-N 3.25Å; V374-Y378 HydrophobicContact CG1-CE2 3.82Å; E376-Y378 HydrophobicContact CB-CE2 4.16Å; Y378-V382 HydrophobicContact CD1-CG1 3.86Å; Y378-I384 HydrophobicContact CD1-CD1 4.03Å; Y378-I384 HydrophobicContact CD1-CG1 3.87Å; Y378-I384 HydrophobicContact CD2-CD1 3.55Å; Y378-I384 HydrophobicContact CD2-CG1 4.31Å; Y378-I384 HydrophobicContact CE1-CD1 4.1Å; Y378-I384 HydrophobicContact CE1-CG1 3.94Å; Y378-I384 HydrophobicContact CE2-CD1 3.59Å; Y378-I384 HydrophobicContact CE2-CG1 4.35Å; Y378-I384 HydrophobicContact CG-CD1 3.76Å; Y378-I384 HydrophobicContact CG-CG1 4.05Å; Y378-R450 PolarHBondContact OH-NH1 2.89Å; Y378-L452 HydrophobicContact CE1-CD2 4.18Å; Y378-A490 HydrophobicContact CD1-CB 4.06Å; Y378-A490 HydrophobicContact CE1-CB 4.07Å
379	Q	96.1	Very high	94.2	Very high	54 Å²	54	32.3 Å²	32.3	25%	0.252	15%	0.15	S	C	.	.			trans	-65.1	165	178.2	-70.1	-164.5	-44.2	0	0	112.6	L330 K377 G381 V382 K486 L489	L330-Q379 HydrophobicContact CD1-CG 4.48Å; K377-Q379 PolarHBondContact O-N 3.24Å; Q379-G381 PolarHBondContact O-N 3.48Å; Q379-V382 WeakPolarHBondContact O-CB 3.43Å; Q379-V382 PolarHBondContact O-N 3.44Å; Q379-K486 HydrophobicContact CB-CG 3.96Å; Q379-L489 VanDerWaalsContact CD-CD1 3.45Å; Q379-L489 HydrophobicContact CG-CD1 3.96Å
380	D	93.1	Very high	93.8	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.048	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	133.9	176.4	-171.2	47.4	0	0	0	111.9	K287 R323 N327 R364 V382 K486	K287-D380 WeakPolarHBondContact CE-OD2 3.22Å; K287-D380 HydrophobicContact CG-CB 4.46Å; K287-D380 IonicContact NZ-OD2 3.38Å; K287-D380 PolarHBondContact NZ-OD2 2.84Å; R323-D380 WeakPolarHBondContact CG-OD1 3.48Å; R323-D380 IonicContact CZ-OD1 3.98Å; R323-D380 IonicContact CZ-OD2 3.72Å; R323-D380 IonicContact NE-OD1 3.97Å; R323-D380 PolarHBondContact NE-OD1 2.92Å; R323-D380 IonicContact NE-OD2 3.05Å; R323-D380 PolarHBondContact NE-OD2 2.98Å; R323-D380 IonicContact NH2-OD1 3.87Å; R323-D380 IonicContact NH2-OD2 3.21Å; R323-D380 PolarHBondContact NH2-OD2 3.18Å; N327-D380 WeakPolarHBondContact OD1-CB 3.36Å; R364-D380 IonicContact NH2-OD1 4Å; D380-V382 VanDerWaalsContact C-N 3.35Å; D380-K486 VanDerWaalsContact O-CE 3.31Å; D380-K486 WeakPolarHBondContact O-CE 3.37Å; D380-K486 PolarHBondContact O-NZ 3.33Å
381	G	91.6	Very high	93.3	Very high	4 Å²	4	37.1 Å²	37.1	4%	0.041	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-2.1	-173	0	0	0	0	0	114.8	Q379 Y383 V454 E455	Q379-G381 PolarHBondContact O-N 3.48Å; G381-Y383 WeakPolarHBondContact O-CD2 3.24Å; G381-V454 CarbonylContact O-C 3.58Å; G381-V454 WeakPolarHBondContact O-CA 3.38Å; G381-E455 PolarHBondContact O-N 3.36Å
382	V	96	Very high	92.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.3	167.2	-172.9	0	0	0	0	109	Y378 Q379 D380 V454 K486	Y378-V382 HydrophobicContact CD1-CG1 3.86Å; Q379-V382 WeakPolarHBondContact O-CB 3.43Å; Q379-V382 PolarHBondContact O-N 3.44Å; D380-V382 VanDerWaalsContact C-N 3.35Å; V382-V454 HydrophobicContact CG2-CG1 4.35Å; V382-K486 HydrophobicContact CG2-CB 3.84Å; V382-K486 HydrophobicContact CG2-CD 4.12Å; V382-K486 HydrophobicContact CG2-CG 4.35Å
383	Y	95.8	Very high	91.9	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.5	-179.3	-61.6	-87.6	0	0	0	110.2	S360 H361 G381 L385 A409 F410 L452 S453 E455	S360-Y383 WeakPolarHBondContact OG-CD1 3.45Å; H361-Y383 AromaticContact CE1-CE1 3.55Å; H361-Y383 AromaticContact CE1-CZ 3.96Å; H361-Y383 AromaticContact ND1-CE1 3.91Å; G381-Y383 WeakPolarHBondContact O-CD2 3.24Å; Y383-L385 PolarHBondContact O-N 3.21Å; Y383-A409 HydrophobicContact CD2-CB 3.77Å; Y383-A409 HydrophobicContact CE2-CB 4.11Å; Y383-A409 HydrophobicContact CG-CB 4.18Å; Y383-F410 AromaticContact CD1-CE2 3.62Å; Y383-F410 HydrophobicContact CD1-CE2 3.62Å; Y383-F410 AromaticContact CD1-CZ 3.87Å; Y383-F410 HydrophobicContact CD1-CZ 3.87Å; Y383-F410 AromaticContact CE1-CE2 3.78Å; Y383-F410 HydrophobicContact CE1-CE2 3.78Å; Y383-F410 HydrophobicContact CE1-CZ 4.48Å; Y383-F410 HydrophobicContact CG-CE2 4.26Å; Y383-F410 HydrophobicContact CG-CZ 4.28Å; Y383-L452 WeakPolarHBondContact O-CA 3.31Å; Y383-S453 PolarHBondContact N-O 3.1Å; Y383-S453 PolarHBondContact O-N 3.17Å; Y383-E455 HydrophobicContact CD2-CB 4.49Å; Y383-E455 HydrophobicContact CE2-CB 3.76Å; Y383-E455 WeakPolarHBondContact CE2-OE2 3.48Å; Y383-E455 PolarHBondContact OH-OE2 3.05Å
384	I	96.6	Very high	91.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	105.2	173	-49.1	169.4	0	0	0	107	A367 Y378 P387 Q388 L452	A367-I384 HydrophobicContact CB-CD1 3.57Å; Y378-I384 HydrophobicContact CD1-CD1 4.03Å; Y378-I384 HydrophobicContact CD1-CG1 3.87Å; Y378-I384 HydrophobicContact CD2-CD1 3.55Å; Y378-I384 HydrophobicContact CD2-CG1 4.31Å; Y378-I384 HydrophobicContact CE1-CD1 4.1Å; Y378-I384 HydrophobicContact CE1-CG1 3.94Å; Y378-I384 HydrophobicContact CE2-CD1 3.59Å; Y378-I384 HydrophobicContact CE2-CG1 4.35Å; Y378-I384 HydrophobicContact CG-CD1 3.76Å; Y378-I384 HydrophobicContact CG-CG1 4.05Å; I384-P387 WeakPolarHBondContact CG2-O 3.49Å; I384-Q388 WeakPolarHBondContact O-CG 3.47Å; I384-Q388 PolarHBondContact O-NE2 3.19Å; I384-L452 HydrophobicContact CB-CD2 4.4Å; I384-L452 HydrophobicContact CG1-CD2 4.29Å; I384-L452 HydrophobicContact CG2-CD2 4.34Å
385	L	96.6	Very high	91.7	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-39.7	177.5	-57.5	-171.9	0	0	0	110.4	Y383 F410 P438 K439 V451	Y383-L385 PolarHBondContact O-N 3.21Å; L385-F410 HydrophobicContact CD2-CE1 3.58Å; L385-F410 HydrophobicContact CD2-CZ 3.95Å; L385-P438 HydrophobicContact CD1-CB 3.89Å; L385-P438 HydrophobicContact CD1-CG 4.47Å; L385-K439 HydrophobicContact CB-CB 4.13Å; L385-K439 HydrophobicContact CD2-CB 4.44Å; L385-V451 HydrophobicContact CB-CB 4.17Å; L385-V451 HydrophobicContact CB-CG1 3.99Å; L385-V451 WeakPolarHBondContact CB-O 3.29Å; L385-V451 HydrophobicContact CD1-CG1 4.11Å; L385-V451 PolarHBondContact N-O 3.28Å
386	H	96	Very high	91.8	Very high	33 Å²	33	43.3 Å²	43.3	15%	0.153	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	140.1	175.8	179.7	61.9	0	0	0	111.7	A443 P447 L449 R450 V451	H386-A443 HydrophobicContact CB-CB 3.68Å; H386-P447 WeakPolarHBondContact NE2-CA 3.44Å; H386-P447 PolarHBondContact NE2-O 2.9Å; H386-L449 PolarHBondContact CD2-O 2.66Å; H386-R450 CarbonylContact O-C 3.22Å; H386-R450 VanDerWaalsContact O-CA 3.3Å; H386-R450 WeakPolarHBondContact O-CA 3.37Å; H386-V451 HydrophobicContact CB-CB 4.08Å; H386-V451 HydrophobicContact CB-CG2 4.15Å; H386-V451 PolarHBondContact N-O 3.29Å; H386-V451 VanDerWaalsContact N-O 3.13Å; H386-V451 PolarHBondContact O-N 3.19Å
387	P	94.7	Very high	91.9	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.104	22%	0.218	C	C	.	.			cis	-78	138.4	-16.3	32.3	-33.5	0	0	0	111.5	I384 V391	I384-P387 WeakPolarHBondContact CG2-O 3.49Å; P387-V391 HydrophobicContact CB-CG1 3.61Å; P387-V391 HydrophobicContact CB-CG2 4.27Å; P387-V391 HydrophobicContact CG-CG1 4.08Å; P387-V391 HydrophobicContact CG-CG2 3.78Å
388	Q	92.4	Very high	92	Very high	25 Å²	25	38.2 Å²	38.2	12%	0.117	20%	0.203	C	C	.	.			trans	-81.8	-32.7	176.9	-60.1	-167.7	-53.3	0	0	112.1	R186 M351 A363 I384	R186-Q388 PolarHBondContact NH2-O 3.43Å; M351-Q388 HydrophobicContact CE-CB 3.9Å; A363-Q388 HydrophobicContact CB-CB 4.01Å; A363-Q388 HydrophobicContact CB-CG 4.22Å; I384-Q388 WeakPolarHBondContact O-CG 3.47Å; I384-Q388 PolarHBondContact O-NE2 3.19Å
389	T	92.3	Very high	92	Very high	32 Å²	32	37.6 Å²	37.6	20%	0.196	20%	0.201	C	C	.	.	S	Bend	trans	-97.3	172.7	178.3	51.1	0	0	0	0	111.7	R186 P188	R186-T389 CarbonylContact O-C 3.46Å; R186-T389 WeakPolarHBondContact O-CA 3.38Å; R186-T389 WeakPolarHBondContact O-CB 3.29Å; P188-T389 HydrophobicContact CG-CG2 4.24Å
390	R	90.9	Very high	92.2	Very high	38 Å²	38	35 Å²	35	14%	0.143	19%	0.189	C	C	.	.			trans	-60.2	142.8	168.2	-71.7	175.1	171.8	-170.6	-5.7	109.5	L152 G183 R186 D370 E372 A373	L152-R390 VanDerWaalsContact CD2-NH1 3.26Å; G183-R390 VanDerWaalsContact CA-NH1 3.32Å; R186-R390 HydrophobicContact CB-CG 4.01Å; R186-R390 PolarHBondContact O-N 2.69Å; D370-R390 VanDerWaalsContact CG-NH2 3.31Å; D370-R390 IonicContact OD1-CZ 3.4Å; D370-R390 IonicContact OD1-NE 2.79Å; D370-R390 IonicContact OD1-NH2 3.98Å; D370-R390 PolarHBondContact OD1-NH2 3.03Å; D370-R390 IonicContact OD2-CZ 2.7Å; D370-R390 IonicContact OD2-NE 3.25Å; D370-R390 PolarHBondContact OD2-NE 3.02Å; D370-R390 IonicContact OD2-NH2 3.7Å; D370-R390 PolarHBondContact OD2-NH2 3.38Å; E372-R390 IonicContact OE2-CZ 3.14Å; E372-R390 IonicContact OE2-NH1 3.41Å; E372-R390 IonicContact OE2-NH2 3.49Å; E372-R390 PolarHBondContact OE2-NH2 3.41Å; A373-R390 HydrophobicContact CB-CG 4.15Å
391	V	85.1	Confident	92.4	Very high	74 Å²	74	34.6 Å²	34.6	45%	0.448	19%	0.187	S	C	.	.			trans	-133.4	145.8	174.8	-70.8	0	0	0	0	108.5	P387 Q393	P387-V391 HydrophobicContact CB-CG1 3.61Å; P387-V391 HydrophobicContact CB-CG2 4.27Å; P387-V391 HydrophobicContact CG-CG1 4.08Å; P387-V391 HydrophobicContact CG-CG2 3.78Å; V391-Q393 VanDerWaalsContact C-N 3.3Å; V391-Q393 VanDerWaalsContact CG2-O 3.26Å; V391-Q393 WeakPolarHBondContact CG2-O 3.17Å; V391-Q393 PolarHBondContact O-N 3.49Å
392	D	75.6	Confident	92.7	Very high	135 Å²	135	34.4 Å²	34.4	72%	0.722	19%	0.185	S	C	*	.	S	Bend	trans	-70.8	-29.7	-176.5	-64.9	-26.4	0	0	0	112.6	Q156	Q156-D392 PolarHBondContact OE1-OD1 2.91Å
393	Q	78.1	Confident	92.5	Very high	149 Å²	149	34.4 Å²	34.4	70%	0.696	19%	0.185	S	C	*	.	S	Bend	trans	-105	135.4	-179.6	-62.8	-176.1	2.4	0	0	110.7	V391	V391-Q393 VanDerWaalsContact C-N 3.3Å; V391-Q393 VanDerWaalsContact CG2-O 3.26Å; V391-Q393 WeakPolarHBondContact CG2-O 3.17Å; V391-Q393 PolarHBondContact O-N 3.49Å
394	S	84.3	Confident	92	Very high	107 Å²	107	34.3 Å²	34.3	75%	0.748	19%	0.185	S	C	*	.			trans	-65.7	138.3	171.2	56.9	0	0	0	0	110.7	K396	S394-K396 PolarHBondContact O-N 3.19Å
395	S	90.9	Very high	91.1	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	20%	0.196	C	C	.	.			trans	-59.6	132.6	175.1	-54.4	0	0	0	0	111.5	N448	S395-N448 CarbonylContact C-O 3.55Å; S395-N448 VanDerWaalsContact CA-O 3.28Å; S395-N448 WeakPolarHBondContact CA-O 3.47Å
396	K	93.4	Very high	90	Very high	82 Å²	82	40 Å²	40	36%	0.357	21%	0.214	S	C	.	.	S	Bend	trans	-80.7	-24.6	-175.6	-69.2	-169.6	167.5	-149.1	0	113.4	S394 N448 I657 Q659	S394-K396 PolarHBondContact O-N 3.19Å; K396-N448 PolarHBondContact N-O 3.33Å; K396-I657 HydrophobicContact CB-CG1 4.08Å; K396-I657 HydrophobicContact CD-CB 4.4Å; K396-I657 HydrophobicContact CD-CG2 3.77Å; K396-I657 PolarHBondContact NZ-O 3.04Å; K396-Q659 PolarHBondContact NZ-OXT 3.05Å
397	A	96.9	Very high	89.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163.6	-179.4	0	0	0	0	0	111.2	L449 R450 P496 L653 I657	A397-L449 HydrophobicContact CB-CD2 3.83Å; A397-R450 PolarHBondContact O-N 2.95Å; A397-P496 CarbonylContact C-O 3.5Å; A397-P496 VanDerWaalsContact CA-O 3.31Å; A397-P496 WeakPolarHBondContact CA-O 3.28Å; A397-P496 HydrophobicContact CB-CB 4.06Å; A397-P496 VanDerWaalsContact CB-O 3.31Å; A397-P496 WeakPolarHBondContact CB-O 3.4Å; A397-L653 HydrophobicContact CB-CD1 3.88Å; A397-L653 HydrophobicContact CB-CD2 3.71Å; A397-L653 HydrophobicContact CB-CG 4.38Å; A397-I657 HydrophobicContact CB-CD1 4.04Å; A397-I657 HydrophobicContact CB-CG1 4.41Å
398	D	98.1	Very high	88.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136	177.3	-68.6	-27.6	0	0	0	110.9	R450 R495 P496 V497 V498	D398-R450 CarbonylContact C-O 3.37Å; D398-R450 WeakPolarHBondContact CA-O 3.43Å; D398-R450 VanDerWaalsContact CG-NH2 3.35Å; D398-R450 WeakPolarHBondContact OD1-CB 3.3Å; D398-R450 IonicContact OD1-CZ 2.75Å; D398-R450 VanDerWaalsContact OD1-CZ 3.31Å; D398-R450 IonicContact OD1-NE 3.51Å; D398-R450 PolarHBondContact OD1-NE 3.48Å; D398-R450 IonicContact OD1-NH2 3.96Å; D398-R450 PolarHBondContact OD1-NH2 3.09Å; D398-R450 IonicContact OD2-CZ 3.8Å; D398-R450 IonicContact OD2-NE 3.86Å; D398-R450 IonicContact OD2-NH2 3.73Å; D398-R450 PolarHBondContact OD2-NH2 3.05Å; D398-R495 HydrophobicContact CB-CG 4.44Å; D398-R495 WeakPolarHBondContact OD1-CD 3.35Å; D398-R495 IonicContact OD1-NH1 2.76Å; D398-R495 PolarHBondContact OD1-NH1 3.27Å; D398-R495 WeakPolarHBondContact OD2-CG 3.4Å; D398-R495 IonicContact OD2-NH1 3.15Å; D398-R495 PolarHBondContact OD2-NH1 2.89Å; D398-R495 VanDerWaalsContact OD2-NH1 3.14Å; D398-P496 PolarHBondContact N-O 3.12Å; D398-V497 HydrophobicContact CB-CG2 4.32Å; D398-V497 CarbonylContact O-C 3.53Å; D398-V497 WeakPolarHBondContact O-CA 3.41Å; D398-V498 PolarHBondContact O-N 3.12Å
399	V	98.6	Very high	88.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119	166.4	-171.4	0	0	0	0	108.6	F401 L442 L449 R450 V451 L452 V498 V500 I649	V399-F401 HydrophobicContact CB-CE2 4.31Å; V399-F401 HydrophobicContact CG1-CD2 4.18Å; V399-F401 HydrophobicContact CG1-CE2 3.51Å; V399-F401 HydrophobicContact CG1-CZ 4.14Å; V399-L442 HydrophobicContact CG1-CD2 4.36Å; V399-L449 HydrophobicContact CG2-CD1 3.75Å; V399-R450 PolarHBondContact N-O 2.93Å; V399-V451 WeakPolarHBondContact O-CA 3.47Å; V399-L452 PolarHBondContact O-N 3.3Å; V399-V498 CarbonylContact C-O 3.42Å; V399-V498 WeakPolarHBondContact CA-O 3.48Å; V399-V500 HydrophobicContact CG1-CG2 3.92Å; V399-I649 HydrophobicContact CG1-CD1 4.22Å; V399-I649 HydrophobicContact CG2-CG2 4Å
400	L	98.4	Very high	88.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.1	-171.8	-60.9	175.5	0	0	0	111.3	L452 L487 V492 V497 V498 W499 V500	L400-L452 WeakPolarHBondContact CA-O 3.42Å; L400-L452 HydrophobicContact CD2-CB 3.81Å; L400-L452 HydrophobicContact CD2-CD1 3.92Å; L400-L452 HydrophobicContact CD2-CG 4.23Å; L400-L487 HydrophobicContact CD1-CD2 4.24Å; L400-L487 HydrophobicContact CD2-CD2 4.14Å; L400-V492 HydrophobicContact CD1-CG1 3.48Å; L400-V492 VanDerWaalsContact CD1-CG1 3.48Å; L400-V492 HydrophobicContact CD2-CG1 4.32Å; L400-V492 HydrophobicContact CD2-CG2 4.09Å; L400-V492 HydrophobicContact CG-CG1 4.42Å; L400-V497 HydrophobicContact CD1-CG1 3.42Å; L400-V497 VanDerWaalsContact CD1-CG1 3.42Å; L400-V497 HydrophobicContact CG-CG1 3.92Å; L400-V498 PolarHBondContact N-O 3.2Å; L400-W499 HydrophobicContact CB-CD2 4.4Å; L400-W499 HydrophobicContact CB-CE3 3.84Å; L400-W499 HydrophobicContact CB-CZ3 4.23Å; L400-W499 HydrophobicContact CD1-CD2 4.01Å; L400-W499 HydrophobicContact CD1-CE3 3.67Å; L400-W499 HydrophobicContact CD1-CH2 3.59Å; L400-W499 HydrophobicContact CD1-CZ2 3.91Å; L400-W499 HydrophobicContact CD1-CZ3 3.44Å; L400-W499 VanDerWaalsContact CD1-CZ3 3.44Å; L400-W499 HydrophobicContact CG-CE3 4.42Å; L400-W499 HydrophobicContact CG-CZ3 4.5Å; L400-V500 PolarHBondContact O-N 3.14Å
401	F	98.4	Very high	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118	-179.8	-75.9	-94.3	0	0	0	111.5	V399 W413 W437 P438 L442 V451 L452 S453 V454 V500	V399-F401 HydrophobicContact CB-CE2 4.31Å; V399-F401 HydrophobicContact CG1-CD2 4.18Å; V399-F401 HydrophobicContact CG1-CE2 3.51Å; V399-F401 HydrophobicContact CG1-CZ 4.14Å; F401-W413 HydrophobicContact CB-CD2 4.34Å; F401-W413 HydrophobicContact CB-CG 4.48Å; F401-W413 HydrophobicContact CB-CZ2 4.04Å; F401-W413 AromaticContact CD1-CD2 3.59Å; F401-W413 HydrophobicContact CD1-CD2 3.59Å; F401-W413 AromaticContact CD1-CE2 3.72Å; F401-W413 AromaticContact CD1-CE3 3.74Å; F401-W413 HydrophobicContact CD1-CE3 3.74Å; F401-W413 HydrophobicContact CD1-CG 4.03Å; F401-W413 HydrophobicContact CD1-CH2 4.11Å; F401-W413 AromaticContact CD1-CZ2 3.97Å; F401-W413 HydrophobicContact CD1-CZ2 3.97Å; F401-W413 HydrophobicContact CD1-CZ3 4Å; F401-W413 HydrophobicContact CE1-CD2 4.38Å; F401-W413 HydrophobicContact CE1-CE3 4.18Å; F401-W413 HydrophobicContact CE1-CZ3 4.45Å; F401-W413 HydrophobicContact CG-CD2 4.39Å; F401-W437 AromaticContact CE1-CH2 3.43Å; F401-W437 HydrophobicContact CE1-CH2 3.43Å; F401-W437 VanDerWaalsContact CE1-CH2 3.43Å; F401-W437 AromaticContact CE1-CZ2 3.68Å; F401-W437 HydrophobicContact CE1-CZ2 3.68Å; F401-W437 HydrophobicContact CE1-CZ3 4.21Å; F401-W437 AromaticContact CZ-CH2 3.64Å; F401-W437 HydrophobicContact CZ-CH2 3.64Å; F401-W437 HydrophobicContact CZ-CZ2 4.32Å; F401-W437 HydrophobicContact CZ-CZ3 4.02Å; F401-P438 HydrophobicContact CD1-CG 4.02Å; F401-P438 HydrophobicContact CD2-CB 4.22Å; F401-P438 HydrophobicContact CD2-CG 4.45Å; F401-P438 HydrophobicContact CE1-CB 4.15Å; F401-P438 HydrophobicContact CE1-CG 3.61Å; F401-P438 HydrophobicContact CE2-CB 3.72Å; F401-P438 HydrophobicContact CE2-CG 4.1Å; F401-P438 HydrophobicContact CG-CG 4.42Å; F401-P438 HydrophobicContact CZ-CB 3.68Å; F401-P438 HydrophobicContact CZ-CG 3.66Å; F401-L442 HydrophobicContact CE2-CD2 3.85Å; F401-L442 HydrophobicContact CZ-CD2 3.81Å; F401-V451 HydrophobicContact CD2-CG1 3.8Å; F401-V451 HydrophobicContact CE2-CG1 3.6Å; F401-L452 PolarHBondContact N-O 3.08Å; F401-S453 WeakPolarHBondContact O-CA 3.49Å; F401-S453 PolarHBondContact O-OG 3.47Å; F401-V454 PolarHBondContact O-N 3.23Å; F401-V500 CarbonylContact C-O 3.57Å; F401-V500 WeakPolarHBondContact CA-O 3.42Å; F401-V500 HydrophobicContact CD1-CB 3.7Å; F401-V500 HydrophobicContact CD1-CG1 3.67Å; F401-V500 HydrophobicContact CD1-CG2 4.41Å; F401-V500 HydrophobicContact CE1-CB 3.71Å; F401-V500 HydrophobicContact CE1-CG1 3.51Å; F401-V500 HydrophobicContact CE1-CG2 4.01Å; F401-V500 HydrophobicContact CE2-CG2 4.41Å; F401-V500 HydrophobicContact CG-CB 4.21Å; F401-V500 HydrophobicContact CZ-CB 4.19Å; F401-V500 HydrophobicContact CZ-CG1 4.34Å; F401-V500 HydrophobicContact CZ-CG2 4Å
402	I	96.9	Very high	88.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.8	-178.2	-50.7	-60.6	0	0	0	110.1	W413 V454 Y456 W499 V500 A501 H502 L508 V509	I402-W413 WeakPolarHBondContact O-CZ2 3.36Å; I402-V454 HydrophobicContact CD1-CB 3.89Å; I402-V454 HydrophobicContact CD1-CG2 4.23Å; I402-Y456 HydrophobicContact CG2-CD1 4.4Å; I402-Y456 HydrophobicContact CG2-CE1 3.93Å; I402-W499 HydrophobicContact CD1-CZ3 4.49Å; I402-W499 HydrophobicContact CG1-CE3 4.22Å; I402-W499 HydrophobicContact CG1-CZ3 4.45Å; I402-V500 PolarHBondContact N-O 3.11Å; I402-A501 HydrophobicContact CB-CB 4.29Å; I402-A501 WeakPolarHBondContact O-CA 3.01Å; I402-H502 PolarHBondContact O-N 2.75Å; I402-L508 HydrophobicContact CG2-CD2 4.44Å; I402-V509 HydrophobicContact CB-CG2 4.18Å; I402-V509 HydrophobicContact CG1-CG2 3.79Å; I402-V509 HydrophobicContact CG2-CG2 4.46Å
403	H	92.8	Very high	89.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.			trans	-73.2	167.9	-175.5	64.2	81.5	0	0	0	112.9	G407 T412 V454 E455 Y456 S458 G505	H403-G407 PolarHBondContact CE1-O 3.37Å; H403-G407 PolarHBondContact ND1-O 3.49Å; H403-T412 HydrophobicContact CB-CG2 4.11Å; H403-T412 WeakPolarHBondContact CB-OG1 3.47Å; H403-V454 PolarHBondContact CD2-O 2.57Å; H403-E455 WeakPolarHBondContact NE2-CA 3.41Å; H403-Y456 AromaticContact CE1-CD1 3.93Å; H403-Y456 AromaticContact CE1-CE1 3.76Å; H403-Y456 AromaticContact ND1-CE1 3.96Å; H403-Y456 AromaticContact NE2-CD1 3.96Å; H403-Y456 VanDerWaalsContact O-CE1 3.24Å; H403-Y456 WeakPolarHBondContact O-CE1 3.27Å; H403-Y456 PolarHBondContact O-OH 3.28Å; H403-S458 PolarHBondContact CE1-OG 3.36Å; H403-S458 PolarHBondContact ND1-OG 2.95Å; H403-G505 VanDerWaalsContact O-CA 3.27Å; H403-G505 WeakPolarHBondContact O-CA 3.5Å
404	G	85.6	Confident	90.6	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.133	C	C	.	.			trans	-87.8	-172.6	172.6	0	0	0	0	0	114.2	G407 S458 H502	G404-G407 PolarHBondContact O-N 3.06Å; G404-S458 PolarHBondContact O-OG 3.36Å; G404-H502 WeakPolarHBondContact CA-O 3.34Å; G404-H502 PolarHBondContact N-O 2.9Å
405	I	77.6	Confident	91	Very high	48 Å²	48	20.3 Å²	20.3	25%	0.246	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	143.2	175.4	-158.9	171.4	0	0	0	111.3	G407 M504 E560 V561	I405-G407 PolarHBondContact O-N 2.84Å; I405-M504 HydrophobicContact CB-SD 4.41Å; I405-E560 HydrophobicContact CD1-CB 3.83Å; I405-E560 HydrophobicContact CD1-CG 4.32Å; I405-V561 HydrophobicContact CD1-CG2 4.24Å
406	L	72.9	Confident	91	Very high	78 Å²	78	22.8 Å²	22.8	41%	0.408	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	11.8	-174.1	-52.2	177	0	0	0	114.4	K411 S458 L460	L406-K411 PolarHBondContact O-NZ 2.66Å; L406-S458 PolarHBondContact N-O 2.96Å; L406-S458 PolarHBondContact N-OG 3.36Å; L406-L460 HydrophobicContact CD2-CB 4.42Å; L406-L460 HydrophobicContact CD2-CD1 4.24Å; L406-L460 HydrophobicContact CD2-CG 4.16Å
407	G	79.1	Confident	90.6	Very high	5 Å²	5	22.7 Å²	22.7	5%	0.052	11%	0.111	C	C	.	.			trans	-92.6	173.7	176.1	0	0	0	0	0	112.1	H403 G404 I405 T412 S458 H459	H403-G407 PolarHBondContact CE1-O 3.37Å; H403-G407 PolarHBondContact ND1-O 3.49Å; G404-G407 PolarHBondContact O-N 3.06Å; I405-G407 PolarHBondContact O-N 2.84Å; G407-T412 WeakPolarHBondContact CA-OG1 3.31Å; G407-S458 PolarHBondContact O-OG 3.47Å; G407-H459 PolarHBondContact O-NE2 2.87Å
408	A	86.3	Confident	89.5	Confident	8 Å²	8	26.2 Å²	26.2	7%	0.066	12%	0.124	C	C	.	.			trans	-160.2	163	173.7	0	0	0	0	0	108.3	F410 K411 T412	A408-F410 VanDerWaalsContact C-N 3.33Å; A408-F410 PolarHBondContact O-N 2.94Å; A408-K411 HydrophobicContact CB-CB 3.99Å; A408-K411 PolarHBondContact O-N 3.19Å; A408-T412 PolarHBondContact N-OG1 2.88Å; A408-T412 WeakPolarHBondContact O-CB 3.39Å; A408-T412 PolarHBondContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 2.7Å
409	A	88.8	Confident	88	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-46.6	-53.3	-178.8	0	0	0	0	0	113	Y383 W413 S453	Y383-A409 HydrophobicContact CD2-CB 3.77Å; Y383-A409 HydrophobicContact CE2-CB 4.11Å; Y383-A409 HydrophobicContact CG-CB 4.18Å; A409-W413 WeakPolarHBondContact O-CB 3.36Å; A409-W413 PolarHBondContact O-N 3.31Å; A409-S453 WeakPolarHBondContact CA-OG 3.32Å; A409-S453 VanDerWaalsContact CB-OG 3.23Å; A409-S453 WeakPolarHBondContact CB-OG 3.48Å
410	F	91.1	Very high	86.1	Confident	18 Å²	18	33.5 Å²	33.5	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-90.6	-3.4	-177.4	-50.1	-64.1	0	0	0	114	V356 M357 Y383 L385 A408 C436	V356-F410 HydrophobicContact CB-CD1 4.28Å; V356-F410 HydrophobicContact CB-CE1 4.43Å; V356-F410 HydrophobicContact CG1-CB 3.87Å; V356-F410 HydrophobicContact CG1-CD1 3.54Å; V356-F410 HydrophobicContact CG1-CD2 4.16Å; V356-F410 HydrophobicContact CG1-CE1 4.11Å; V356-F410 HydrophobicContact CG1-CG 3.56Å; V356-F410 HydrophobicContact CG2-CD1 3.7Å; V356-F410 HydrophobicContact CG2-CE1 3.51Å; V356-F410 HydrophobicContact CG2-CG 4.49Å; V356-F410 HydrophobicContact CG2-CZ 4.18Å; M357-F410 HydrophobicContact CB-CD2 3.9Å; M357-F410 HydrophobicContact CB-CE2 4.12Å; M357-F410 HydrophobicContact CE-CB 4.49Å; M357-F410 HydrophobicContact CE-CD2 3.76Å; M357-F410 HydrophobicContact CG-CD2 4.05Å; M357-F410 HydrophobicContact CG-CE2 4.16Å; Y383-F410 AromaticContact CD1-CE2 3.62Å; Y383-F410 HydrophobicContact CD1-CE2 3.62Å; Y383-F410 AromaticContact CD1-CZ 3.87Å; Y383-F410 HydrophobicContact CD1-CZ 3.87Å; Y383-F410 AromaticContact CE1-CE2 3.78Å; Y383-F410 HydrophobicContact CE1-CE2 3.78Å; Y383-F410 HydrophobicContact CE1-CZ 4.48Å; Y383-F410 HydrophobicContact CG-CE2 4.26Å; Y383-F410 HydrophobicContact CG-CZ 4.28Å; L385-F410 HydrophobicContact CD2-CE1 3.58Å; L385-F410 HydrophobicContact CD2-CZ 3.95Å; A408-F410 VanDerWaalsContact C-N 3.33Å; A408-F410 PolarHBondContact O-N 2.94Å; F410-C436 HydrophobicContact CD1-CB 3.86Å; F410-C436 HydrophobicContact CE1-CB 4.3Å
411	K	89.8	Confident	84.1	Confident	102 Å²	102	39.5 Å²	39.5	44%	0.443	20%	0.202	S	C	.	.	H	α-helix	trans	-92.2	-40.8	173.6	-172.6	-179.9	177.2	-172.4	0	110.9	L406 A408 R414	L406-K411 PolarHBondContact O-NZ 2.66Å; A408-K411 HydrophobicContact CB-CB 3.99Å; A408-K411 PolarHBondContact O-N 3.19Å; K411-R414 PolarHBondContact O-NH1 3.27Å
412	T	92.3	Very high	82	Confident	8 Å²	8	43.8 Å²	43.8	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-82.5	-43.9	-176.2	-60.6	0	0	0	0	111	H403 G407 A408 R414 H502 C632	H403-T412 HydrophobicContact CB-CG2 4.11Å; H403-T412 WeakPolarHBondContact CB-OG1 3.47Å; G407-T412 WeakPolarHBondContact CA-OG1 3.31Å; A408-T412 PolarHBondContact N-OG1 2.88Å; A408-T412 WeakPolarHBondContact O-CB 3.39Å; A408-T412 PolarHBondContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 2.7Å; T412-R414 PolarHBondContact O-N 3.42Å; T412-H502 HydrophobicContact CG2-CB 4.06Å; T412-C632 VanDerWaalsContact CG2-SG 3.57Å; T412-C632 PolarHBondContact O-SG 3.21Å
413	W	95.6	Very high	79.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-98.2	33.2	-170.9	-43.7	119.7	0	0	0	113.9	F401 I402 A409 C436 W437 P438 V500 H502 Y535 C632	F401-W413 HydrophobicContact CB-CD2 4.34Å; F401-W413 HydrophobicContact CB-CG 4.48Å; F401-W413 HydrophobicContact CB-CZ2 4.04Å; F401-W413 AromaticContact CD1-CD2 3.59Å; F401-W413 HydrophobicContact CD1-CD2 3.59Å; F401-W413 AromaticContact CD1-CE2 3.72Å; F401-W413 AromaticContact CD1-CE3 3.74Å; F401-W413 HydrophobicContact CD1-CE3 3.74Å; F401-W413 HydrophobicContact CD1-CG 4.03Å; F401-W413 HydrophobicContact CD1-CH2 4.11Å; F401-W413 AromaticContact CD1-CZ2 3.97Å; F401-W413 HydrophobicContact CD1-CZ2 3.97Å; F401-W413 HydrophobicContact CD1-CZ3 4Å; F401-W413 HydrophobicContact CE1-CD2 4.38Å; F401-W413 HydrophobicContact CE1-CE3 4.18Å; F401-W413 HydrophobicContact CE1-CZ3 4.45Å; F401-W413 HydrophobicContact CG-CD2 4.39Å; I402-W413 WeakPolarHBondContact O-CZ2 3.36Å; A409-W413 WeakPolarHBondContact O-CB 3.36Å; A409-W413 PolarHBondContact O-N 3.31Å; W413-C436 CarbonylContact O-C 3.56Å; W413-C436 WeakPolarHBondContact O-CA 3.32Å; W413-W437 VanDerWaalsContact C-CD1 3.46Å; W413-W437 HydrophobicContact CE3-CZ2 4.27Å; W413-W437 PolarHBondContact O-N 3.46Å; W413-P438 HydrophobicContact CB-CG 3.74Å; W413-P438 HydrophobicContact CG-CG 4.4Å; W413-P438 VanDerWaalsContact O-CD 3.25Å; W413-P438 WeakPolarHBondContact O-CD 3.48Å; W413-V500 HydrophobicContact CH2-CG1 3.95Å; W413-V500 HydrophobicContact CZ3-CG1 3.95Å; W413-H502 HydrophobicContact CH2-CB 3.89Å; W413-H502 HydrophobicContact CZ3-CB 4.43Å; W413-Y535 HydrophobicContact CH2-CD2 4.48Å; W413-Y535 HydrophobicContact CZ3-CD2 4.07Å; W413-Y535 HydrophobicContact CZ3-CE2 4.09Å; W413-C632 HydrophobicContact CE3-CB 4.16Å; W413-C632 HydrophobicContact CZ3-CB 3.8Å
414	R	94	Very high	78	Confident	45 Å²	45	56.4 Å²	56.4	17%	0.17	28%	0.281	C	S	.	.	S	Bend	trans	-95.8	165.4	177.6	68.5	173.2	-165.6	-94.1	10.2	111.6	K411 T412 D417 E435 K633	K411-R414 PolarHBondContact O-NH1 3.27Å; T412-R414 PolarHBondContact O-N 3.42Å; R414-D417 IonicContact CZ-OD1 3.8Å; R414-D417 IonicContact CZ-OD2 2.65Å; R414-D417 IonicContact NE-OD1 2.79Å; R414-D417 PolarHBondContact NE-OD1 2.6Å; R414-D417 IonicContact NE-OD2 3.62Å; R414-D417 VanDerWaalsContact NH2-CG 3.3Å; R414-D417 IonicContact NH2-OD1 2.74Å; R414-D417 PolarHBondContact NH2-OD1 3.21Å; R414-D417 VanDerWaalsContact NH2-OD1 3.07Å; R414-D417 IonicContact NH2-OD2 2.76Å; R414-D417 PolarHBondContact NH2-OD2 3.31Å; R414-E435 WeakPolarHBondContact CB-O 3.4Å; R414-K633 HydrophobicContact CG-CD 4.01Å; R414-K633 HydrophobicContact CG-CG 4.46Å; R414-K633 WeakPolarHBondContact O-CA 3.34Å; R414-K633 VanDerWaalsContact O-CB 3.26Å; R414-K633 WeakPolarHBondContact O-CB 3.23Å; R414-K633 WeakPolarHBondContact O-CG 3.48Å
415	Q	94.6	Very high	76.5	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.047	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.2	149	168.5	-179.1	171.8	-4.4	0	0	110.6	D417 D432 Y433 T434 W441 E635	Q415-D417 PolarHBondContact O-N 3.33Å; Q415-D432 PolarHBondContact OE1-O 3.3Å; Q415-Y433 HydrophobicContact CB-CD2 4.13Å; Q415-Y433 HydrophobicContact CB-CE2 3.68Å; Q415-Y433 HydrophobicContact CG-CD2 4.07Å; Q415-Y433 HydrophobicContact CG-CE2 3.91Å; Q415-Y433 PolarHBondContact O-OH 2.89Å; Q415-T434 HydrophobicContact CB-CG2 3.99Å; Q415-T434 WeakPolarHBondContact CB-O 3.14Å; Q415-T434 PolarHBondContact N-O 3.01Å; Q415-W441 HydrophobicContact CB-CH2 4.19Å; Q415-W441 HydrophobicContact CG-CH2 3.95Å; Q415-W441 HydrophobicContact CG-CZ2 4.43Å; Q415-E635 VanDerWaalsContact CG-O 3.31Å; Q415-E635 WeakPolarHBondContact CG-O 2.98Å; Q415-E635 PolarHBondContact NE2-O 3.35Å
416	K	90.9	Very high	75.3	Confident	72 Å²	72	69.2 Å²	69.2	31%	0.313	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-54.4	137.1	176.8	-168.6	-177	168.1	-162.1	0	109.9	R418 K633 P634 E635	K416-R418 PolarHBondContact O-N 2.83Å; K416-K633 HydrophobicContact CB-CB 4.3Å; K416-P634 PolarHBondContact N-O 2.71Å; K416-E635 HydrophobicContact CB-CB 4.36Å; K416-E635 HydrophobicContact CD-CB 4.31Å; K416-E635 IonicContact NZ-OE1 2.73Å; K416-E635 PolarHBondContact NZ-OE1 3.08Å
417	D	84.1	Confident	74.2	Confident	81 Å²	81	68.9 Å²	68.9	43%	0.433	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-65.2	135.4	177.4	-52.4	-27	0	0	0	108.7	R414 Q415	R414-D417 IonicContact CZ-OD1 3.8Å; R414-D417 IonicContact CZ-OD2 2.65Å; R414-D417 IonicContact NE-OD1 2.79Å; R414-D417 PolarHBondContact NE-OD1 2.6Å; R414-D417 IonicContact NE-OD2 3.62Å; R414-D417 VanDerWaalsContact NH2-CG 3.3Å; R414-D417 IonicContact NH2-OD1 2.74Å; R414-D417 PolarHBondContact NH2-OD1 3.21Å; R414-D417 VanDerWaalsContact NH2-OD1 3.07Å; R414-D417 IonicContact NH2-OD2 2.76Å; R414-D417 PolarHBondContact NH2-OD2 3.31Å; Q415-D417 PolarHBondContact O-N 3.33Å
418	R	73.4	Confident	72.7	Confident	73 Å²	73	78.1 Å²	78.1	28%	0.275	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-69.5	148.7	175.1	-66.2	-177.6	178.3	177.7	-2.1	109.2	K416 E423	K416-R418 PolarHBondContact O-N 2.83Å; R418-E423 HydrophobicContact CB-CG 4.01Å
419	S	67.6	Low	71	Confident	50 Å²	50	80.8 Å²	80.8	35%	0.35	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-74.8	148	171.2	70.2	0	0	0	0	110	L421 E422 E423	S419-L421 PolarHBondContact O-N 3.35Å; S419-E422 WeakPolarHBondContact CB-OE2 3.29Å; S419-E422 PolarHBondContact N-OE2 3.01Å; S419-E422 VanDerWaalsContact N-OE2 3.16Å; S419-E422 PolarHBondContact O-N 3.46Å; S419-E422 VanDerWaalsContact OG-CG 3.26Å; S419-E422 WeakPolarHBondContact OG-CG 3.44Å; S419-E422 PolarHBondContact OG-OE2 3.01Å; S419-E423 PolarHBondContact O-N 2.85Å; S419-E423 VanDerWaalsContact O-N 3.13Å
420	T	58.4	Low	69.3	Low	103 Å²	103	89 Å²	89	63%	0.632	44%	0.437	S	S	*	.	H	α-helix	trans	-57.6	-21.6	-180	51.2	0	0	0	0	113.6
421	L	56.5	Low	67.7	Low	126 Å²	126	96.1 Å²	96.1	66%	0.66	48%	0.476	S	S	*	.	H	α-helix	trans	-83.9	-22.6	177.1	-67.1	169.6	0	0	0	113.3	S419	S419-L421 PolarHBondContact O-N 3.35Å
422	E	53.7	Low	66.9	Low	90 Å²	90	96.5 Å²	96.5	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-86.7	-30	176	-71.6	160.3	164.3	0	0	111	S419 E424 R425 E426	S419-E422 WeakPolarHBondContact CB-OE2 3.29Å; S419-E422 PolarHBondContact N-OE2 3.01Å; S419-E422 VanDerWaalsContact N-OE2 3.16Å; S419-E422 PolarHBondContact O-N 3.46Å; S419-E422 VanDerWaalsContact OG-CG 3.26Å; S419-E422 WeakPolarHBondContact OG-CG 3.44Å; S419-E422 PolarHBondContact OG-OE2 3.01Å; E422-E424 VanDerWaalsContact C-N 3.3Å; E422-E424 PolarHBondContact O-N 3.45Å; E422-R425 PolarHBondContact O-N 3.24Å; E422-R425 VanDerWaalsContact O-N 3.13Å; E422-E426 PolarHBondContact O-N 3.27Å; E422-E426 VanDerWaalsContact O-N 3.1Å
423	E	53.3	Low	66.7	Low	103 Å²	103	100.5 Å²	100.5	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-57.6	-39.2	173.1	-71.3	175.2	171	0	0	112.5	R418 S419 R425 A427	R418-E423 HydrophobicContact CB-CG 4.01Å; S419-E423 PolarHBondContact O-N 2.85Å; S419-E423 VanDerWaalsContact O-N 3.13Å; E423-R425 VanDerWaalsContact C-N 3.32Å; E423-R425 PolarHBondContact O-N 2.93Å; E423-A427 PolarHBondContact O-N 3.18Å
424	E	53.5	Low	66.4	Low	162 Å²	162	101.4 Å²	101.4	76%	0.757	50%	0.503	S	S	*	.	H	α-helix	trans	-72.6	-21.8	178	-67.2	-179.7	172	0	0	113.6	E422	E422-E424 VanDerWaalsContact C-N 3.3Å; E422-E424 PolarHBondContact O-N 3.45Å
425	R	53.6	Low	66.3	Low	220 Å²	220	103.1 Å²	103.1	83%	0.83	51%	0.513	S	S	*	.	H	α-helix	trans	-94.9	-28.3	-176.2	-72.9	-178.5	170.9	-170.8	-1.8	113.7	E422 E423	E422-R425 PolarHBondContact O-N 3.24Å; E422-R425 VanDerWaalsContact O-N 3.13Å; E423-R425 VanDerWaalsContact C-N 3.32Å; E423-R425 PolarHBondContact O-N 2.93Å
426	E	51.9	Low	66.3	Low	98 Å²	98	102.7 Å²	102.7	46%	0.458	51%	0.511	S	S	.	.	H	α-helix	trans	-112.4	12.3	-174.6	-66.2	-176	170.9	0	0	113.4	E422 E428 S429	E422-E426 PolarHBondContact O-N 3.27Å; E422-E426 VanDerWaalsContact O-N 3.1Å; E426-E428 PolarHBondContact O-N 3.41Å; E426-S429 PolarHBondContact O-N 3.4Å; E426-S429 PolarHBondContact O-OG 3.17Å
427	A	50.1	Low	66.5	Low	71 Å²	71	99.3 Å²	99.3	59%	0.587	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-7.8	174.5	0	0	0	0	0	114.4	E423	E423-A427 PolarHBondContact O-N 3.18Å
428	E	47.3	Very low	67.2	Low	200 Å²	200	95.5 Å²	95.5	94%	0.935	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.5	171.4	-66	-175.4	168.3	0	0	113.5	E426	E426-E428 PolarHBondContact O-N 3.41Å
429	S	51.2	Low	68.2	Low	63 Å²	63	95.2 Å²	95.2	44%	0.441	48%	0.477	S	S	.	.			trans	-129.4	72.3	176.6	65	0	0	0	0	112.2	E426 D431	E426-S429 PolarHBondContact O-N 3.4Å; E426-S429 PolarHBondContact O-OG 3.17Å; S429-D431 PolarHBondContact O-N 3.29Å
430	E	52.1	Low	69.5	Low	175 Å²	175	94.6 Å²	94.6	82%	0.818	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-67	-10.6	177.3	-87	-176.9	143.9	0	0	114.3
431	D	56.9	Low	71.3	Confident	166 Å²	166	90.6 Å²	90.6	89%	0.888	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-93.2	1.6	-159.9	-82.1	-20	0	0	0	118.1	S429	S429-D431 PolarHBondContact O-N 3.29Å
432	D	74.2	Confident	73.3	Confident	111 Å²	111	84.6 Å²	84.6	59%	0.594	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-123.1	13.4	-172.2	-156.5	25.5	0	0	0	116.3	Q415	Q415-D432 PolarHBondContact OE1-O 3.3Å
433	Y	86.8	Confident	75.2	Confident	91 Å²	91	80.8 Å²	80.8	36%	0.357	40%	0.398	S	S	.	.			trans	-82.9	138.9	171.8	-174.7	-94.3	0	0	0	111.9	Q415 E435	Q415-Y433 HydrophobicContact CB-CD2 4.13Å; Q415-Y433 HydrophobicContact CB-CE2 3.68Å; Q415-Y433 HydrophobicContact CG-CD2 4.07Å; Q415-Y433 HydrophobicContact CG-CE2 3.91Å; Q415-Y433 PolarHBondContact O-OH 2.89Å; Y433-E435 HydrophobicContact CE1-CG 4.31Å
434	T	90.1	Very high	77.2	Confident	19 Å²	19	79.1 Å²	79.1	12%	0.117	40%	0.402	C	S	.	.			trans	-121	126.3	172.7	-166.4	0	0	0	0	113.9	Q415 C436 W437 S440 W441	Q415-T434 HydrophobicContact CB-CG2 3.99Å; Q415-T434 WeakPolarHBondContact CB-O 3.14Å; Q415-T434 PolarHBondContact N-O 3.01Å; T434-C436 PolarHBondContact O-N 2.97Å; T434-C436 PolarHBondContact OG1-N 2.95Å; T434-W437 HydrophobicContact CG2-CB 3.99Å; T434-S440 WeakPolarHBondContact CB-OG 3.39Å; T434-S440 WeakPolarHBondContact CG2-OG 3.28Å; T434-S440 VanDerWaalsContact OG1-CB 3.28Å; T434-S440 WeakPolarHBondContact OG1-CB 3.18Å; T434-S440 PolarHBondContact OG1-OG 2.93Å; T434-W441 HydrophobicContact CG2-CD2 4.15Å; T434-W441 HydrophobicContact CG2-CH2 3.95Å; T434-W441 HydrophobicContact CG2-CZ2 3.42Å; T434-W441 VanDerWaalsContact CG2-CZ2 3.42Å
435	E	91.2	Very high	79.2	Confident	81 Å²	81	74 Å²	74	38%	0.379	38%	0.38	S	S	.	.	S	Bend	trans	-68.5	-16.7	173.1	-60.8	-166.2	130.4	0	0	113	V356 R414 Y433	V356-E435 HydrophobicContact CB-CB 4.3Å; V356-E435 VanDerWaalsContact CB-OE2 3.26Å; V356-E435 WeakPolarHBondContact CB-OE2 3.26Å; V356-E435 HydrophobicContact CG1-CB 3.92Å; V356-E435 WeakPolarHBondContact CG1-OE2 3.21Å; V356-E435 PolarHBondContact N-OE2 3.46Å; V356-E435 VanDerWaalsContact N-OE2 3.1Å; R414-E435 WeakPolarHBondContact CB-O 3.4Å; Y433-E435 HydrophobicContact CE1-CG 4.31Å
436	C	95.3	Very high	81.2	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.014	34%	0.343	C	S	.	.			trans	-157.1	93.8	-177	-170.7	0	0	0	0	111.3	V356 F410 W413 T434 P438 K439 S440	V356-C436 HydrophobicContact CG2-CB 4.21Å; F410-C436 HydrophobicContact CD1-CB 3.86Å; F410-C436 HydrophobicContact CE1-CB 4.3Å; W413-C436 CarbonylContact O-C 3.56Å; W413-C436 WeakPolarHBondContact O-CA 3.32Å; T434-C436 PolarHBondContact O-N 2.97Å; T434-C436 PolarHBondContact OG1-N 2.95Å; C436-P438 VanDerWaalsContact C-CD 3.43Å; C436-P438 VanDerWaalsContact C-N 3.34Å; C436-K439 HydrophobicContact CB-CB 3.94Å; C436-K439 WeakPolarHBondContact O-CB 3.24Å; C436-K439 PolarHBondContact O-N 3.16Å; C436-S440 PolarHBondContact O-N 2.79Å; C436-S440 VanDerWaalsContact O-N 3.1Å; C436-S440 PolarHBondContact O-OG 2.85Å; C436-S440 VanDerWaalsContact O-OG 3.06Å
437	W	96.3	Very high	83.1	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-30.2	-176.2	69.7	-102	0	0	0	114.5	F401 W413 T434 K439 S440 W441 L442 C632 P634 Y642	F401-W437 AromaticContact CE1-CH2 3.43Å; F401-W437 HydrophobicContact CE1-CH2 3.43Å; F401-W437 VanDerWaalsContact CE1-CH2 3.43Å; F401-W437 AromaticContact CE1-CZ2 3.68Å; F401-W437 HydrophobicContact CE1-CZ2 3.68Å; F401-W437 HydrophobicContact CE1-CZ3 4.21Å; F401-W437 AromaticContact CZ-CH2 3.64Å; F401-W437 HydrophobicContact CZ-CH2 3.64Å; F401-W437 HydrophobicContact CZ-CZ2 4.32Å; F401-W437 HydrophobicContact CZ-CZ3 4.02Å; W413-W437 VanDerWaalsContact C-CD1 3.46Å; W413-W437 HydrophobicContact CE3-CZ2 4.27Å; W413-W437 PolarHBondContact O-N 3.46Å; T434-W437 HydrophobicContact CG2-CB 3.99Å; W437-K439 VanDerWaalsContact C-N 3.33Å; W437-S440 WeakPolarHBondContact CA-OG 3.19Å; W437-S440 PolarHBondContact O-N 2.92Å; W437-W441 HydrophobicContact CB-CD2 3.96Å; W437-W441 HydrophobicContact CB-CE3 3.45Å; W437-W441 VanDerWaalsContact CB-CE3 3.45Å; W437-W441 HydrophobicContact CB-CH2 4.42Å; W437-W441 HydrophobicContact CB-CZ3 3.69Å; W437-W441 HydrophobicContact CG-CE3 4.35Å; W437-W441 HydrophobicContact CG-CZ3 4.43Å; W437-W441 PolarHBondContact O-N 3.42Å; W437-L442 HydrophobicContact CZ3-CB 4.36Å; W437-L442 HydrophobicContact CZ3-CD2 4.46Å; W437-L442 PolarHBondContact O-N 3.16Å; W437-L442 VanDerWaalsContact O-N 3.16Å; W437-C632 PolarHBondContact NE1-O 3.16Å; W437-C632 VanDerWaalsContact NE1-O 3.12Å; W437-P634 VanDerWaalsContact CD1-CD 3.48Å; W437-P634 HydrophobicContact CD2-CG 4.36Å; W437-P634 HydrophobicContact CG-CG 4.39Å; W437-Y642 HydrophobicContact CD2-CD2 4.48Å; W437-Y642 AromaticContact CE3-CD2 3.75Å; W437-Y642 HydrophobicContact CE3-CD2 3.75Å; W437-Y642 AromaticContact CE3-CE2 3.74Å; W437-Y642 HydrophobicContact CE3-CE2 3.74Å; W437-Y642 HydrophobicContact CZ3-CD2 4.02Å; W437-Y642 HydrophobicContact CZ3-CE2 4Å
438	P	97.3	Very high	85.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	I	π-helix	trans	-70.4	-29.7	173.9	-19.9	33.2	0	0	0	113.2	L385 F401 W413 C436 L442 A443 V451	L385-P438 HydrophobicContact CD1-CB 3.89Å; L385-P438 HydrophobicContact CD1-CG 4.47Å; F401-P438 HydrophobicContact CD1-CG 4.02Å; F401-P438 HydrophobicContact CD2-CB 4.22Å; F401-P438 HydrophobicContact CD2-CG 4.45Å; F401-P438 HydrophobicContact CE1-CB 4.15Å; F401-P438 HydrophobicContact CE1-CG 3.61Å; F401-P438 HydrophobicContact CE2-CB 3.72Å; F401-P438 HydrophobicContact CE2-CG 4.1Å; F401-P438 HydrophobicContact CG-CG 4.42Å; F401-P438 HydrophobicContact CZ-CB 3.68Å; F401-P438 HydrophobicContact CZ-CG 3.66Å; W413-P438 HydrophobicContact CB-CG 3.74Å; W413-P438 HydrophobicContact CG-CG 4.4Å; W413-P438 VanDerWaalsContact O-CD 3.25Å; W413-P438 WeakPolarHBondContact O-CD 3.48Å; C436-P438 VanDerWaalsContact C-CD 3.43Å; C436-P438 VanDerWaalsContact C-N 3.34Å; P438-L442 HydrophobicContact CB-CD2 4.42Å; P438-A443 PolarHBondContact O-N 3.42Å; P438-V451 HydrophobicContact CB-CG1 3.97Å
439	K	95.4	Very high	87.4	Confident	68 Å²	68	53.1 Å²	53.1	30%	0.296	29%	0.29	S	S	.	.	I	π-helix	trans	-76.7	-31.6	176.7	178.9	-176.7	-179.6	-65.1	0	111.9	V356 L385 C436 W437 A443	V356-K439 HydrophobicContact CG2-CD 3.58Å; L385-K439 HydrophobicContact CB-CB 4.13Å; L385-K439 HydrophobicContact CD2-CB 4.44Å; C436-K439 HydrophobicContact CB-CB 3.94Å; C436-K439 WeakPolarHBondContact O-CB 3.24Å; C436-K439 PolarHBondContact O-N 3.16Å; W437-K439 VanDerWaalsContact C-N 3.33Å; K439-A443 WeakPolarHBondContact O-CB 3.43Å
440	S	94.7	Very high	89.6	Confident	37 Å²	37	50.6 Å²	50.6	26%	0.259	27%	0.271	S	S	.	.	I	π-helix	trans	-96.9	-75.5	-177.5	53.9	0	0	0	0	111.7	T434 C436 W437 A444	T434-S440 WeakPolarHBondContact CB-OG 3.39Å; T434-S440 WeakPolarHBondContact CG2-OG 3.28Å; T434-S440 VanDerWaalsContact OG1-CB 3.28Å; T434-S440 WeakPolarHBondContact OG1-CB 3.18Å; T434-S440 PolarHBondContact OG1-OG 2.93Å; C436-S440 PolarHBondContact O-N 2.79Å; C436-S440 VanDerWaalsContact O-N 3.1Å; C436-S440 PolarHBondContact O-OG 2.85Å; C436-S440 VanDerWaalsContact O-OG 3.06Å; W437-S440 WeakPolarHBondContact CA-OG 3.19Å; W437-S440 PolarHBondContact O-N 2.92Å; S440-A444 WeakPolarHBondContact O-CB 3.3Å; S440-A444 PolarHBondContact O-N 2.87Å; S440-A444 VanDerWaalsContact O-N 3.1Å
441	W	96.9	Very high	91.8	Very high	18 Å²	18	42.2 Å²	42.2	7%	0.068	23%	0.232	C	C	.	.	I	π-helix	trans	-68	-50	-171.1	-54.4	-22.9	0	0	0	112.2	Q415 T434 W437 A443 A444 D445 P634 K637 Y642	Q415-W441 HydrophobicContact CB-CH2 4.19Å; Q415-W441 HydrophobicContact CG-CH2 3.95Å; Q415-W441 HydrophobicContact CG-CZ2 4.43Å; T434-W441 HydrophobicContact CG2-CD2 4.15Å; T434-W441 HydrophobicContact CG2-CH2 3.95Å; T434-W441 HydrophobicContact CG2-CZ2 3.42Å; T434-W441 VanDerWaalsContact CG2-CZ2 3.42Å; W437-W441 HydrophobicContact CB-CD2 3.96Å; W437-W441 HydrophobicContact CB-CE3 3.45Å; W437-W441 VanDerWaalsContact CB-CE3 3.45Å; W437-W441 HydrophobicContact CB-CH2 4.42Å; W437-W441 HydrophobicContact CB-CZ3 3.69Å; W437-W441 HydrophobicContact CG-CE3 4.35Å; W437-W441 HydrophobicContact CG-CZ3 4.43Å; W437-W441 PolarHBondContact O-N 3.42Å; W441-A443 PolarHBondContact O-N 3.41Å; W441-A444 PolarHBondContact O-N 3.31Å; W441-D445 PolarHBondContact O-N 3.34Å; W441-P634 HydrophobicContact CZ3-CB 4.15Å; W441-P634 HydrophobicContact CZ3-CG 4.5Å; W441-K637 HydrophobicContact CB-CD 4.27Å; W441-K637 HydrophobicContact CB-CG 4.21Å; W441-K637 HydrophobicContact CD2-CB 3.95Å; W441-K637 HydrophobicContact CD2-CG 4.22Å; W441-K637 HydrophobicContact CE3-CB 4.29Å; W441-K637 HydrophobicContact CG-CB 4.21Å; W441-K637 HydrophobicContact CG-CD 4.15Å; W441-K637 HydrophobicContact CG-CG 4.03Å; W441-Y642 HydrophobicContact CB-CE1 4.3Å; W441-Y642 HydrophobicContact CB-CE2 3.73Å; W441-Y642 WeakPolarHBondContact CB-OH 3.33Å; W441-Y642 AromaticContact CE3-CD2 3.92Å; W441-Y642 HydrophobicContact CE3-CD2 3.92Å; W441-Y642 HydrophobicContact CE3-CE2 4.22Å; W441-Y642 HydrophobicContact CE3-CG 4.17Å; W441-Y642 PolarHBondContact O-OH 2.79Å; W441-Y642 VanDerWaalsContact O-OH 3.08Å
442	L	97.3	Very high	93.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.189	C	C	.	.	I	π-helix	trans	-66.9	-41	-177.5	-179.6	63.5	0	0	0	111.7	V399 F401 W437 P438 A444 D445 C446 V451 Y642 L646 I649	V399-L442 HydrophobicContact CG1-CD2 4.36Å; F401-L442 HydrophobicContact CE2-CD2 3.85Å; F401-L442 HydrophobicContact CZ-CD2 3.81Å; W437-L442 HydrophobicContact CZ3-CB 4.36Å; W437-L442 HydrophobicContact CZ3-CD2 4.46Å; W437-L442 PolarHBondContact O-N 3.16Å; W437-L442 VanDerWaalsContact O-N 3.16Å; P438-L442 HydrophobicContact CB-CD2 4.42Å; L442-A444 VanDerWaalsContact C-N 3.29Å; L442-A444 PolarHBondContact O-N 2.94Å; L442-D445 PolarHBondContact O-N 3.32Å; L442-C446 HydrophobicContact CD1-CB 4.36Å; L442-C446 WeakPolarHBondContact O-CB 3.35Å; L442-C446 PolarHBondContact O-N 2.74Å; L442-V451 HydrophobicContact CD2-CG1 4.37Å; L442-V451 HydrophobicContact CD2-CG2 4.12Å; L442-V451 HydrophobicContact CG-CG2 4.42Å; L442-Y642 WeakPolarHBondContact CA-OH 3.26Å; L442-Y642 PolarHBondContact N-OH 3.46Å; L442-L646 HydrophobicContact CD1-CD1 3.88Å; L442-I649 HydrophobicContact CD1-CD1 4.05Å; L442-I649 HydrophobicContact CD2-CD1 4.12Å
443	A	94.9	Very high	94.8	Very high	10 Å²	10	29 Å²	29	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-39.5	175.5	0	0	0	0	0	112.1	H386 P438 K439 W441 C446 P447	H386-A443 HydrophobicContact CB-CB 3.68Å; P438-A443 PolarHBondContact O-N 3.42Å; K439-A443 WeakPolarHBondContact O-CB 3.43Å; W441-A443 PolarHBondContact O-N 3.41Å; A443-C446 CarbonylContact O-C 3.51Å; A443-P447 WeakPolarHBondContact O-CA 3.43Å
444	A	94.4	Very high	95.2	Very high	68 Å²	68	24.7 Å²	24.7	56%	0.562	14%	0.144	S	C	*	.	H	α-helix	trans	-70.2	-41.7	176.9	0	0	0	0	0	112.6	S440 W441 L442 C446	S440-A444 WeakPolarHBondContact O-CB 3.3Å; S440-A444 PolarHBondContact O-N 2.87Å; S440-A444 VanDerWaalsContact O-N 3.1Å; W441-A444 PolarHBondContact O-N 3.31Å; L442-A444 VanDerWaalsContact C-N 3.29Å; L442-A444 PolarHBondContact O-N 2.94Å; A444-C446 VanDerWaalsContact C-N 3.35Å
445	D	95.9	Very high	95	Very high	53 Å²	53	24.8 Å²	24.8	28%	0.283	14%	0.143	S	C	.	.	H	α-helix	trans	-77.5	-22.1	-178.9	-67.8	-20.3	0	0	0	112.6	W441 L442 K637 Y642 L646	W441-D445 PolarHBondContact O-N 3.34Å; L442-D445 PolarHBondContact O-N 3.32Å; D445-K637 VanDerWaalsContact CG-CE 3.49Å; D445-K637 WeakPolarHBondContact OD1-CE 3.32Å; D445-K637 IonicContact OD1-NZ 3.59Å; D445-K637 PolarHBondContact OD1-NZ 3.22Å; D445-K637 WeakPolarHBondContact OD2-CE 3.48Å; D445-K637 IonicContact OD2-NZ 3.64Å; D445-K637 PolarHBondContact OD2-NZ 3.1Å; D445-Y642 WeakPolarHBondContact OD2-CE1 3.33Å; D445-Y642 PolarHBondContact OD2-OH 2.77Å; D445-L646 HydrophobicContact CB-CD1 4.03Å; D445-L646 HydrophobicContact CB-CD2 4.08Å
446	C	94.4	Very high	94.6	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.054	13%	0.126	C	C	.	.			trans	-136.6	66.9	-177.5	-67	0	0	0	0	112	L442 A443 A444 N448 L449	L442-C446 HydrophobicContact CD1-CB 4.36Å; L442-C446 WeakPolarHBondContact O-CB 3.35Å; L442-C446 PolarHBondContact O-N 2.74Å; A443-C446 CarbonylContact O-C 3.51Å; A444-C446 VanDerWaalsContact C-N 3.35Å; C446-N448 PolarHBondContact O-N 3.39Å; C446-N448 VanDerWaalsContact O-N 3.16Å; C446-L449 HydrophobicContact CB-CB 4.41Å; C446-L449 HydrophobicContact CB-CD1 3.38Å; C446-L449 HydrophobicContact CB-CG 3.73Å; C446-L449 PolarHBondContact O-N 3.14Å; C446-L449 VanDerWaalsContact O-N 3.15Å
447	P	92.8	Very high	93.2	Very high	88 Å²	88	23.5 Å²	23.5	57%	0.571	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.6	-171.2	27.2	-36	0	0	0	114.3	H386 A443	H386-P447 WeakPolarHBondContact NE2-CA 3.44Å; H386-P447 PolarHBondContact NE2-O 2.9Å; A443-P447 WeakPolarHBondContact O-CA 3.43Å
448	N	92.1	Very high	91.2	Very high	53 Å²	53	23.5 Å²	23.5	28%	0.283	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.1	178.2	63.4	-16.2	0	0	0	113.9	S395 K396 C446 I657	S395-N448 CarbonylContact C-O 3.55Å; S395-N448 VanDerWaalsContact CA-O 3.28Å; S395-N448 WeakPolarHBondContact CA-O 3.47Å; K396-N448 PolarHBondContact N-O 3.33Å; C446-N448 PolarHBondContact O-N 3.39Å; C446-N448 VanDerWaalsContact O-N 3.16Å; N448-I657 VanDerWaalsContact ND2-CG2 3.3Å; N448-I657 WeakPolarHBondContact ND2-CG2 3.43Å
449	L	95.4	Very high	89.1	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	154	175.8	-59.2	-175.9	0	0	0	110.9	H386 A397 V399 C446 V451 I649 L653 I657	H386-L449 PolarHBondContact CD2-O 2.66Å; A397-L449 HydrophobicContact CB-CD2 3.83Å; V399-L449 HydrophobicContact CG2-CD1 3.75Å; C446-L449 HydrophobicContact CB-CB 4.41Å; C446-L449 HydrophobicContact CB-CD1 3.38Å; C446-L449 HydrophobicContact CB-CG 3.73Å; C446-L449 PolarHBondContact O-N 3.14Å; C446-L449 VanDerWaalsContact O-N 3.15Å; L449-V451 HydrophobicContact CB-CG2 4.49Å; L449-I649 HydrophobicContact CD1-CG2 3.99Å; L449-L653 HydrophobicContact CD1-CD1 4.29Å; L449-L653 HydrophobicContact CD2-CD1 3.83Å; L449-I657 HydrophobicContact CD2-CD1 3.48Å; L449-I657 VanDerWaalsContact CD2-CD1 3.48Å
450	R	97.1	Very high	86.4	Confident	9 Å²	9	26.8 Å²	26.8	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.9	162.2	-174.8	170.1	69.4	153.4	15	107.9	E376 Y378 H386 A397 D398 V399 L452 A490 G491	E376-R450 IonicContact OE1-NH1 3.34Å; Y378-R450 PolarHBondContact OH-NH1 2.89Å; H386-R450 CarbonylContact O-C 3.22Å; H386-R450 VanDerWaalsContact O-CA 3.3Å; H386-R450 WeakPolarHBondContact O-CA 3.37Å; A397-R450 PolarHBondContact O-N 2.95Å; D398-R450 CarbonylContact C-O 3.37Å; D398-R450 WeakPolarHBondContact CA-O 3.43Å; D398-R450 VanDerWaalsContact CG-NH2 3.35Å; D398-R450 WeakPolarHBondContact OD1-CB 3.3Å; D398-R450 IonicContact OD1-CZ 2.75Å; D398-R450 VanDerWaalsContact OD1-CZ 3.31Å; D398-R450 IonicContact OD1-NE 3.51Å; D398-R450 PolarHBondContact OD1-NE 3.48Å; D398-R450 IonicContact OD1-NH2 3.96Å; D398-R450 PolarHBondContact OD1-NH2 3.09Å; D398-R450 IonicContact OD2-CZ 3.8Å; D398-R450 IonicContact OD2-NE 3.86Å; D398-R450 IonicContact OD2-NH2 3.73Å; D398-R450 PolarHBondContact OD2-NH2 3.05Å; V399-R450 PolarHBondContact N-O 2.93Å; R450-L452 HydrophobicContact CG-CD2 4.07Å; R450-L452 HydrophobicContact CG-CG 4.22Å; R450-A490 PolarHBondContact NH1-O 2.94Å; R450-A490 PolarHBondContact NH2-O 3.45Å; R450-G491 PolarHBondContact NH2-O 3.34Å
451	V	98.3	Very high	83.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.7	179.9	-173.3	0	0	0	0	108.6	L385 H386 V399 F401 P438 L442 L449	L385-V451 HydrophobicContact CB-CB 4.17Å; L385-V451 HydrophobicContact CB-CG1 3.99Å; L385-V451 WeakPolarHBondContact CB-O 3.29Å; L385-V451 HydrophobicContact CD1-CG1 4.11Å; L385-V451 PolarHBondContact N-O 3.28Å; H386-V451 HydrophobicContact CB-CB 4.08Å; H386-V451 HydrophobicContact CB-CG2 4.15Å; H386-V451 PolarHBondContact N-O 3.29Å; H386-V451 VanDerWaalsContact N-O 3.13Å; H386-V451 PolarHBondContact O-N 3.19Å; V399-V451 WeakPolarHBondContact O-CA 3.47Å; F401-V451 HydrophobicContact CD2-CG1 3.8Å; F401-V451 HydrophobicContact CE2-CG1 3.6Å; P438-V451 HydrophobicContact CB-CG1 3.97Å; L442-V451 HydrophobicContact CD2-CG1 4.37Å; L442-V451 HydrophobicContact CD2-CG2 4.12Å; L442-V451 HydrophobicContact CG-CG2 4.42Å; L449-V451 HydrophobicContact CB-CG2 4.49Å
452	L	98.3	Very high	81	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.3	176.7	-52.8	177.1	0	0	0	109.9	Y378 Y383 I384 V399 L400 F401 R450 V492	Y378-L452 HydrophobicContact CE1-CD2 4.18Å; Y383-L452 WeakPolarHBondContact O-CA 3.31Å; I384-L452 HydrophobicContact CB-CD2 4.4Å; I384-L452 HydrophobicContact CG1-CD2 4.29Å; I384-L452 HydrophobicContact CG2-CD2 4.34Å; V399-L452 PolarHBondContact O-N 3.3Å; L400-L452 WeakPolarHBondContact CA-O 3.42Å; L400-L452 HydrophobicContact CD2-CB 3.81Å; L400-L452 HydrophobicContact CD2-CD1 3.92Å; L400-L452 HydrophobicContact CD2-CG 4.23Å; F401-L452 PolarHBondContact N-O 3.08Å; R450-L452 HydrophobicContact CG-CD2 4.07Å; R450-L452 HydrophobicContact CG-CG 4.22Å; L452-V492 HydrophobicContact CD1-CG2 3.83Å
453	S	96.9	Very high	78.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.1	162.5	-174.6	0	0	0	0	108.9	Y383 F401 A409	Y383-S453 PolarHBondContact N-O 3.1Å; Y383-S453 PolarHBondContact O-N 3.17Å; F401-S453 WeakPolarHBondContact O-CA 3.49Å; F401-S453 PolarHBondContact O-OG 3.47Å; A409-S453 WeakPolarHBondContact CA-OG 3.32Å; A409-S453 VanDerWaalsContact CB-OG 3.23Å; A409-S453 WeakPolarHBondContact CB-OG 3.48Å
454	V	93.6	Very high	76	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.7	-179.7	-165.9	0	0	0	0	110.4	G381 V382 F401 I402 H403 L483 L487	G381-V454 CarbonylContact O-C 3.58Å; G381-V454 WeakPolarHBondContact O-CA 3.38Å; V382-V454 HydrophobicContact CG2-CG1 4.35Å; F401-V454 PolarHBondContact O-N 3.23Å; I402-V454 HydrophobicContact CD1-CB 3.89Å; I402-V454 HydrophobicContact CD1-CG2 4.23Å; H403-V454 PolarHBondContact CD2-O 2.57Å; V454-L483 HydrophobicContact CG1-CD2 3.49Å; V454-L483 VanDerWaalsContact CG1-CD2 3.49Å; V454-L487 HydrophobicContact CG2-CD2 3.77Å
455	E	86.5	Confident	73.8	Confident	20 Å²	20	32.9 Å²	32.9	9%	0.093	18%	0.181	C	C	.	.			trans	-100.4	134.8	177.2	-177.7	177.6	-154.4	0	0	110.5	G381 Y383 H403 H459 K486	G381-E455 PolarHBondContact O-N 3.36Å; Y383-E455 HydrophobicContact CD2-CB 4.49Å; Y383-E455 HydrophobicContact CE2-CB 3.76Å; Y383-E455 WeakPolarHBondContact CE2-OE2 3.48Å; Y383-E455 PolarHBondContact OH-OE2 3.05Å; H403-E455 WeakPolarHBondContact NE2-CA 3.41Å; E455-H459 IonicContact OE1-CD2 2.8Å; E455-H459 IonicContact OE1-NE2 3.2Å; E455-K486 PolarHBondContact O-NZ 3.38Å
456	Y	82.1	Confident	71.8	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.016	20%	0.2	C	C	.	.			trans	-123.3	161.3	168	62.1	-89.6	0	0	0	108.5	I402 H403 S458 R479 L483 M504 L508	I402-Y456 HydrophobicContact CG2-CD1 4.4Å; I402-Y456 HydrophobicContact CG2-CE1 3.93Å; H403-Y456 AromaticContact CE1-CD1 3.93Å; H403-Y456 AromaticContact CE1-CE1 3.76Å; H403-Y456 AromaticContact ND1-CE1 3.96Å; H403-Y456 AromaticContact NE2-CD1 3.96Å; H403-Y456 VanDerWaalsContact O-CE1 3.24Å; H403-Y456 WeakPolarHBondContact O-CE1 3.27Å; H403-Y456 PolarHBondContact O-OH 3.28Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 3.36Å; Y456-R479 HydrophobicContact CD2-CG 4.43Å; Y456-L483 HydrophobicContact CD1-CD1 4.03Å; Y456-L483 HydrophobicContact CG-CD1 4.41Å; Y456-M504 HydrophobicContact CD2-CE 4.36Å; Y456-M504 HydrophobicContact CE2-CE 3.38Å; Y456-L508 HydrophobicContact CD1-CD2 3.52Å; Y456-L508 HydrophobicContact CD2-CD2 4.2Å; Y456-L508 HydrophobicContact CE1-CD2 3.6Å; Y456-L508 HydrophobicContact CE2-CD2 4.26Å; Y456-L508 HydrophobicContact CG-CD2 3.82Å
457	D	67.6	Low	70.1	Confident	53 Å²	53	36.8 Å²	36.8	28%	0.283	20%	0.203	S	C	.	.	S	Bend	trans	-66.8	91	177.3	-165	13.4	0	0	0	110.1	R479	D457-R479 VanDerWaalsContact O-CZ 3.26Å; D457-R479 PolarHBondContact O-NE 3.04Å; D457-R479 PolarHBondContact O-NH2 3.29Å
458	S	53.8	Low	68.5	Low	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.207	C	C	.	.			trans	-112.5	-7.1	174.3	93.3	0	0	0	0	111.5	H403 G404 L406 G407 Y456	H403-S458 PolarHBondContact CE1-OG 3.36Å; H403-S458 PolarHBondContact ND1-OG 2.95Å; G404-S458 PolarHBondContact O-OG 3.36Å; L406-S458 PolarHBondContact N-O 2.96Å; L406-S458 PolarHBondContact N-OG 3.36Å; G407-S458 PolarHBondContact O-OG 3.47Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 3.36Å
459	H	52.8	Low	66.9	Low	63 Å²	63	37.1 Å²	37.1	29%	0.292	21%	0.212	S	C	.	.	S	Bend	trans	-81.3	133.1	177.8	-77.5	-71.7	0	0	0	108.5	G407 E455 S461	G407-H459 PolarHBondContact O-NE2 2.87Å; E455-H459 IonicContact OE1-CD2 2.8Å; E455-H459 IonicContact OE1-NE2 3.2Å; H459-S461 WeakPolarHBondContact CB-OG 3.43Å; H459-S461 PolarHBondContact O-N 2.96Å
460	L	39.4	Very low	65.3	Low	73 Å²	73	38.4 Å²	38.4	38%	0.382	22%	0.219	S	C	.	.			trans	-64	71.5	140	-62.6	168.8	0	0	0	106.4	L406 D462 A465 P557	L406-L460 HydrophobicContact CD2-CB 4.42Å; L406-L460 HydrophobicContact CD2-CD1 4.24Å; L406-L460 HydrophobicContact CD2-CG 4.16Å; L460-D462 PolarHBondContact O-N 3.25Å; L460-A465 HydrophobicContact CB-CB 3.88Å; L460-A465 HydrophobicContact CD2-CB 4.19Å; L460-P557 HydrophobicContact CD1-CG 4.18Å
461	S	37.9	Very low	63.3	Low	36 Å²	36	43.5 Å²	43.5	25%	0.252	25%	0.246	S	C	.	.			trans	-57.2	117.6	175.6	-58.3	0	0	0	0	105.8	H459 W463 M464 A465	H459-S461 WeakPolarHBondContact CB-OG 3.43Å; H459-S461 PolarHBondContact O-N 2.96Å; S461-W463 CarbonylContact O-C 3.25Å; S461-W463 VanDerWaalsContact O-C 3.25Å; S461-W463 PolarHBondContact O-N 3.24Å; S461-M464 CarbonylContact O-C 3.59Å; S461-M464 PolarHBondContact O-N 3.45Å; S461-A465 WeakPolarHBondContact O-CB 3.22Å; S461-A465 PolarHBondContact O-N 3.25Å
462	D	38.9	Very low	61.2	Low	157 Å²	157	51 Å²	51	84%	0.84	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-31.9	-179.4	-82.4	-27.1	0	0	0	112.8	L460	L460-D462 PolarHBondContact O-N 3.25Å
463	W	41.7	Very low	59.3	Low	20 Å²	20	53.2 Å²	53.2	8%	0.076	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-70.1	165.3	170.3	-103.1	0	0	0	113.3	F233 F277 Q280 A281 S461	F233-W463 HydrophobicContact CB-CD2 4.15Å; F233-W463 HydrophobicContact CB-CE3 4.12Å; F233-W463 HydrophobicContact CB-CH2 3.19Å; F233-W463 HydrophobicContact CB-CZ2 3.1Å; F233-W463 HydrophobicContact CB-CZ3 3.66Å; F233-W463 AromaticContact CD1-CD2 3.95Å; F233-W463 HydrophobicContact CD1-CD2 3.95Å; F233-W463 AromaticContact CD1-CE3 3.79Å; F233-W463 HydrophobicContact CD1-CE3 3.79Å; F233-W463 HydrophobicContact CD1-CH2 4.39Å; F233-W463 HydrophobicContact CD1-CZ2 4.42Å; F233-W463 HydrophobicContact CD1-CZ3 4.02Å; F233-W463 HydrophobicContact CD2-CD2 4.23Å; F233-W463 AromaticContact CD2-CE2 3.8Å; F233-W463 HydrophobicContact CD2-CZ2 4.16Å; F233-W463 AromaticContact CD2-NE1 3.81Å; F233-W463 HydrophobicContact CE1-CD2 4.48Å; F233-W463 HydrophobicContact CE1-CE3 4.5Å; F233-W463 WeakPolarHBondContact CE1-O 3.24Å; F233-W463 AromaticContact CG-CD2 3.87Å; F233-W463 HydrophobicContact CG-CD2 3.87Å; F233-W463 AromaticContact CG-CE2 3.61Å; F233-W463 HydrophobicContact CG-CE3 4.03Å; F233-W463 AromaticContact CG-CH2 3.98Å; F233-W463 HydrophobicContact CG-CH2 3.98Å; F233-W463 AromaticContact CG-CZ2 3.7Å; F233-W463 HydrophobicContact CG-CZ2 3.7Å; F233-W463 HydrophobicContact CG-CZ3 4.07Å; F233-W463 WeakPolarHBondContact CZ-O 3.27Å; F277-W463 HydrophobicContact CB-CZ3 4.3Å; F277-W463 AromaticContact CD1-CE3 3.82Å; F277-W463 HydrophobicContact CD1-CE3 3.82Å; F277-W463 AromaticContact CD1-CZ3 3.86Å; F277-W463 HydrophobicContact CD1-CZ3 3.86Å; F277-W463 HydrophobicContact CE1-CE3 4.4Å; Q280-W463 HydrophobicContact CB-CD2 4.33Å; Q280-W463 HydrophobicContact CB-CE3 4.5Å; Q280-W463 HydrophobicContact CB-CH2 4.27Å; Q280-W463 HydrophobicContact CB-CZ2 4.21Å; Q280-W463 HydrophobicContact CB-CZ3 4.48Å; A281-W463 HydrophobicContact CB-CH2 3.94Å; A281-W463 HydrophobicContact CB-CZ2 4.17Å; S461-W463 CarbonylContact O-C 3.25Å; S461-W463 VanDerWaalsContact O-C 3.25Å; S461-W463 PolarHBondContact O-N 3.24Å
464	M	46	Very low	57.8	Low	27 Å²	27	55.3 Å²	55.3	13%	0.133	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-86.9	-14	-171.2	-102.6	178.4	-105.9	0	0	116.3	F233 Q284 S461 N466 C467	F233-M464 HydrophobicContact CD2-CG 4.19Å; F233-M464 HydrophobicContact CE2-CB 4.35Å; F233-M464 HydrophobicContact CE2-CG 3.67Å; Q284-M464 HydrophobicContact CG-CE 3.94Å; S461-M464 CarbonylContact O-C 3.59Å; S461-M464 PolarHBondContact O-N 3.45Å; M464-N466 PolarHBondContact O-N 3.14Å; M464-N466 VanDerWaalsContact O-N 3.14Å; M464-C467 WeakPolarHBondContact O-CB 3.33Å; M464-C467 PolarHBondContact O-N 3.43Å; M464-C467 VanDerWaalsContact O-N 3.1Å
465	A	49.1	Very low	57	Low	23 Å²	23	56.6 Å²	56.6	19%	0.19	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-57.2	-31.7	-178.3	0	0	0	0	0	112.2	L460 S461	L460-A465 HydrophobicContact CB-CB 3.88Å; L460-A465 HydrophobicContact CD2-CB 4.19Å; S461-A465 WeakPolarHBondContact O-CB 3.22Å; S461-A465 PolarHBondContact O-N 3.25Å
466	N	52.9	Low	56.7	Low	127 Å²	127	56.7 Å²	56.7	68%	0.679	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-102.2	13.3	-176.4	-65.4	-27.6	0	0	0	113.5	M464 P468	M464-N466 PolarHBondContact O-N 3.14Å; M464-N466 VanDerWaalsContact O-N 3.14Å; N466-P468 WeakPolarHBondContact O-CD 3.45Å; N466-P468 VanDerWaalsContact O-N 3.1Å
467	C	59.3	Low	56.8	Low	16 Å²	16	58.2 Å²	58.2	11%	0.108	32%	0.322	C	S	.	.			trans	-61.1	116.1	177	-179.3	0	0	0	0	110.2	C229 F233 M464 A469	C229-C467 WeakPolarHBondContact CA-SG 3.43Å; C229-C467 HydrophobicContact CB-CB 3.89Å; C229-C467 WeakPolarHBondContact CB-SG 3.11Å; C229-C467 WeakPolarHBondContact SG-CB 3.2Å; C229-C467 CovalentContact SG-SG 2.03Å; C229-C467 PolarHBondContact SG-SG 3.01Å; F233-C467 HydrophobicContact CE2-CB 3.86Å; F233-C467 HydrophobicContact CZ-CB 4.03Å; M464-C467 WeakPolarHBondContact O-CB 3.33Å; M464-C467 PolarHBondContact O-N 3.43Å; M464-C467 VanDerWaalsContact O-N 3.1Å; C467-A469 PolarHBondContact O-N 3.29Å; C467-A469 VanDerWaalsContact O-N 3.16Å
468	P	58.9	Low	57.6	Low	101 Å²	101	59.5 Å²	59.5	66%	0.656	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.5	-176.5	-16.8	31	0	0	0	113.3	Y232 N466	Y232-P468 HydrophobicContact CE2-CG 4.44Å; N466-P468 WeakPolarHBondContact O-CD 3.45Å; N466-P468 VanDerWaalsContact O-N 3.1Å
469	A	57.7	Low	59.2	Low	47 Å²	47	59.6 Å²	59.6	39%	0.388	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-3.5	-162.6	0	0	0	0	0	115.1	R228 C467	R228-A469 HydrophobicContact CB-CB 3.77Å; C467-A469 PolarHBondContact O-N 3.29Å; C467-A469 VanDerWaalsContact O-N 3.16Å
470	D	61.9	Low	61	Low	30 Å²	30	56.6 Å²	56.6	16%	0.16	31%	0.31	C	S	.	.			trans	-139	111.4	-172.9	-152.9	-29.2	0	0	0	115.4	C229 Q472 R473	C229-D470 VanDerWaalsContact SG-CB 3.52Å; D470-Q472 PolarHBondContact OD1-N 3.16Å; D470-R473 PolarHBondContact OD1-N 2.93Å; D470-R473 WeakPolarHBondContact OD2-CD 3.35Å; D470-R473 WeakPolarHBondContact OD2-CG 3.33Å; D470-R473 IonicContact OD2-CZ 3.82Å; D470-R473 IonicContact OD2-NE 3.11Å; D470-R473 PolarHBondContact OD2-NE 3.32Å
471	N	56	Low	63.5	Low	116 Å²	116	60.6 Å²	60.6	62%	0.62	32%	0.32	S	S	*	.	S	Bend	trans	-100.4	-16.9	170.8	-75.6	-18.1	0	0	0	112.5	I559	N471-I559 HydrophobicContact CB-CD1 3.43Å; N471-I559 VanDerWaalsContact CB-CD1 3.43Å; N471-I559 WeakPolarHBondContact O-CD1 3.16Å
472	Q	54.3	Low	66	Low	158 Å²	158	61.4 Å²	61.4	74%	0.738	32%	0.32	S	S	*	.	S	Bend	trans	-88.4	-31.7	-169.7	-72.5	-171.2	-10.8	0	0	113.9	D470 K474 S475	D470-Q472 PolarHBondContact OD1-N 3.16Å; Q472-K474 PolarHBondContact O-N 3.42Å; Q472-S475 PolarHBondContact O-N 3.39Å; Q472-S475 VanDerWaalsContact O-N 3.08Å; Q472-S475 PolarHBondContact O-OG 3.15Å
473	R	58.5	Low	68.6	Low	46 Å²	46	54 Å²	54	17%	0.174	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.3	173.5	-79.2	173.9	-170.2	-133.6	-37.1	114.4	D227 D470 Y478	D227-R473 IonicContact OD1-CZ 2.65Å; D227-R473 IonicContact OD1-NH1 3.01Å; D227-R473 PolarHBondContact OD1-NH1 2.9Å; D227-R473 IonicContact OD1-NH2 3.59Å; D227-R473 IonicContact OD2-CZ 3.91Å; D227-R473 IonicContact OD2-NH1 2.71Å; D227-R473 PolarHBondContact OD2-NH1 3.22Å; D227-R473 IonicContact OD2-NH2 2.94Å; D227-R473 PolarHBondContact OD2-NH2 3.37Å; D470-R473 PolarHBondContact OD1-N 2.93Å; D470-R473 WeakPolarHBondContact OD2-CD 3.35Å; D470-R473 WeakPolarHBondContact OD2-CG 3.33Å; D470-R473 IonicContact OD2-CZ 3.82Å; D470-R473 IonicContact OD2-NE 3.11Å; D470-R473 PolarHBondContact OD2-NE 3.32Å; R473-Y478 HydrophobicContact CB-CE1 4.45Å; R473-Y478 HydrophobicContact CG-CD1 4.45Å; R473-Y478 HydrophobicContact CG-CE1 4.02Å
474	K	64.9	Low	71.2	Confident	44 Å²	44	53.4 Å²	53.4	19%	0.191	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.2	-177.4	-57.9	-172.5	-179.7	173.3	0	113.7	Q472 R479 I559 E560	Q472-K474 PolarHBondContact O-N 3.42Å; K474-R479 PolarHBondContact O-NH1 3.41Å; K474-I559 HydrophobicContact CB-CB 3.85Å; K474-I559 HydrophobicContact CB-CG2 4.18Å; K474-I559 HydrophobicContact CD-CB 4.23Å; K474-I559 HydrophobicContact CD-CD1 4.31Å; K474-I559 HydrophobicContact CD-CG1 4.47Å; K474-E560 VanDerWaalsContact CB-OE1 3.26Å; K474-E560 WeakPolarHBondContact CB-OE1 3.23Å; K474-E560 WeakPolarHBondContact CD-OE1 3.38Å; K474-E560 WeakPolarHBondContact CG-OE1 3.15Å
475	S	76.1	Confident	73.5	Confident	26 Å²	26	56 Å²	56	18%	0.182	29%	0.293	C	S	.	.	S	Bend	trans	-80.9	147.3	179.7	64.4	0	0	0	0	112.8	Q472 A477 Y478 R479 E563	Q472-S475 PolarHBondContact O-N 3.39Å; Q472-S475 VanDerWaalsContact O-N 3.08Å; Q472-S475 PolarHBondContact O-OG 3.15Å; S475-A477 VanDerWaalsContact C-N 3.26Å; S475-A477 PolarHBondContact O-N 3.15Å; S475-Y478 PolarHBondContact O-N 2.89Å; S475-Y478 WeakPolarHBondContact OG-CB 3Å; S475-Y478 PolarHBondContact OG-N 3.33Å; S475-R479 PolarHBondContact O-N 3.04Å; S475-E563 WeakPolarHBondContact CA-OE1 3.43Å; S475-E563 WeakPolarHBondContact CB-OE1 3.31Å
476	L	80.4	Confident	75.7	Confident	22 Å²	22	55.6 Å²	55.6	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-39	174.6	-162.5	69.3	0	0	0	112.2	R479 S480 L507 L508 K511 E563 L574	L476-R479 PolarHBondContact O-N 2.95Å; L476-S480 VanDerWaalsContact O-CB 3.24Å; L476-S480 WeakPolarHBondContact O-CB 3.34Å; L476-S480 PolarHBondContact O-N 3.16Å; L476-L507 HydrophobicContact CD2-CB 4.38Å; L476-L508 HydrophobicContact CD1-CB 3.87Å; L476-L508 HydrophobicContact CD1-CD1 3.91Å; L476-L508 HydrophobicContact CD1-CG 4.48Å; L476-L508 HydrophobicContact CG-CD1 4.39Å; L476-K511 HydrophobicContact CD2-CB 3.74Å; L476-K511 HydrophobicContact CD2-CD 4.4Å; L476-K511 HydrophobicContact CD2-CG 4.12Å; L476-K511 HydrophobicContact CG-CB 3.86Å; L476-K511 HydrophobicContact CG-CG 4.03Å; L476-E563 WeakPolarHBondContact CB-OE2 3.4Å; L476-E563 PolarHBondContact N-OE1 3.19Å; L476-E563 PolarHBondContact N-OE2 2.93Å; L476-L574 HydrophobicContact CD2-CD2 3.88Å
477	A	84.8	Confident	77.8	Confident	36 Å²	36	49.6 Å²	49.6	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-38.9	-179.4	0	0	0	0	0	113.2	S475 R481	S475-A477 VanDerWaalsContact C-N 3.26Å; S475-A477 PolarHBondContact O-N 3.15Å; A477-R481 WeakPolarHBondContact O-CG 3.46Å; A477-R481 PolarHBondContact O-N 3.07Å; A477-R481 PolarHBondContact O-NE 3.38Å
478	Y	84.5	Confident	79.5	Confident	80 Å²	80	52.8 Å²	52.8	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-50.2	174.4	178	-89.5	0	0	0	111	R473 S475 S480 R481 E482	R473-Y478 HydrophobicContact CB-CE1 4.45Å; R473-Y478 HydrophobicContact CG-CD1 4.45Å; R473-Y478 HydrophobicContact CG-CE1 4.02Å; S475-Y478 PolarHBondContact O-N 2.89Å; S475-Y478 WeakPolarHBondContact OG-CB 3Å; S475-Y478 PolarHBondContact OG-N 3.33Å; Y478-S480 VanDerWaalsContact C-N 3.29Å; Y478-S480 PolarHBondContact O-N 2.77Å; Y478-R481 PolarHBondContact O-N 3.11Å; Y478-E482 PolarHBondContact O-N 3.16Å
479	R	86.3	Confident	81.3	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-41.1	178.9	-69.4	-179.9	175.8	115.8	5.6	112.1	Y456 D457 K474 S475 L476 E482 L483 L508 E560	Y456-R479 HydrophobicContact CD2-CG 4.43Å; D457-R479 VanDerWaalsContact O-CZ 3.26Å; D457-R479 PolarHBondContact O-NE 3.04Å; D457-R479 PolarHBondContact O-NH2 3.29Å; K474-R479 PolarHBondContact O-NH1 3.41Å; S475-R479 PolarHBondContact O-N 3.04Å; L476-R479 PolarHBondContact O-N 2.95Å; R479-E482 PolarHBondContact O-N 3.49Å; R479-L483 WeakPolarHBondContact O-CB 3.32Å; R479-L483 WeakPolarHBondContact O-CG 2.97Å; R479-L483 PolarHBondContact O-N 3.03Å; R479-L508 HydrophobicContact CB-CD1 3.77Å; R479-L508 HydrophobicContact CB-CD2 4.27Å; R479-E560 IonicContact CZ-OE1 3.32Å; R479-E560 VanDerWaalsContact NH2-CD 3.26Å; R479-E560 IonicContact NH2-OE1 2.71Å; R479-E560 PolarHBondContact NH2-OE1 3.1Å
480	S	92	Very high	83.1	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.6	-52	177.5	178.7	0	0	0	0	111	L476 Y478 E482 L483 L484 M512 D515	L476-S480 VanDerWaalsContact O-CB 3.24Å; L476-S480 WeakPolarHBondContact O-CB 3.34Å; L476-S480 PolarHBondContact O-N 3.16Å; Y478-S480 VanDerWaalsContact C-N 3.29Å; Y478-S480 PolarHBondContact O-N 2.77Å; S480-E482 PolarHBondContact O-N 2.68Å; S480-L483 PolarHBondContact O-N 3.24Å; S480-L484 WeakPolarHBondContact O-CB 3.31Å; S480-L484 WeakPolarHBondContact O-CG 3.36Å; S480-L484 PolarHBondContact O-N 3.04Å; S480-M512 WeakPolarHBondContact OG-CA 3.08Å; S480-M512 WeakPolarHBondContact OG-CG 3.47Å; S480-M512 PolarHBondContact OG-N 3.37Å; S480-D515 WeakPolarHBondContact CB-OD2 3.48Å; S480-D515 PolarHBondContact OG-OD2 2.79Å
481	R	91.6	Very high	84.8	Confident	157 Å²	157	47.7 Å²	47.7	59%	0.592	23%	0.228	S	C	*	.	H	α-helix	trans	-62.8	-42.1	178.2	-70.1	-178.1	-66.8	-162	1.1	112.9	A477 Y478 N485	A477-R481 WeakPolarHBondContact O-CG 3.46Å; A477-R481 PolarHBondContact O-N 3.07Å; A477-R481 PolarHBondContact O-NE 3.38Å; Y478-R481 PolarHBondContact O-N 3.11Å; R481-N485 PolarHBondContact O-N 3.2Å; R481-N485 VanDerWaalsContact O-N 3.11Å
482	E	90.3	Very high	86.7	Confident	54 Å²	54	42.7 Å²	42.7	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-48.8	176.9	-167.9	-155.7	139.8	0	0	111.1	Y478 R479 S480 N485 K486	Y478-E482 PolarHBondContact O-N 3.16Å; R479-E482 PolarHBondContact O-N 3.49Å; S480-E482 PolarHBondContact O-N 2.68Å; E482-N485 PolarHBondContact O-N 3.07Å; E482-K486 WeakPolarHBondContact O-CG 3.28Å; E482-K486 PolarHBondContact O-N 2.78Å; E482-K486 VanDerWaalsContact O-N 3.17Å; E482-K486 WeakPolarHBondContact OE1-CE 3.41Å; E482-K486 IonicContact OE1-NZ 2.76Å; E482-K486 PolarHBondContact OE1-NZ 3.37Å
483	L	93.6	Very high	88.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-42.1	-179	-70.8	-163.6	0	0	0	112.5	V454 Y456 R479 S480 N485 K486 L487 L508 M512	V454-L483 HydrophobicContact CG1-CD2 3.49Å; V454-L483 VanDerWaalsContact CG1-CD2 3.49Å; Y456-L483 HydrophobicContact CD1-CD1 4.03Å; Y456-L483 HydrophobicContact CG-CD1 4.41Å; R479-L483 WeakPolarHBondContact O-CB 3.32Å; R479-L483 WeakPolarHBondContact O-CG 2.97Å; R479-L483 PolarHBondContact O-N 3.03Å; S480-L483 PolarHBondContact O-N 3.24Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 3.44Å; L483-K486 HydrophobicContact CD2-CD 4.13Å; L483-K486 WeakPolarHBondContact O-CB 3.4Å; L483-K486 PolarHBondContact O-N 3.29Å; L483-K486 VanDerWaalsContact O-N 3.15Å; L483-L487 WeakPolarHBondContact O-CB 3.32Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.33Å; L483-L487 PolarHBondContact O-N 3.22Å; L483-L508 HydrophobicContact CD1-CD2 3.48Å; L483-L508 VanDerWaalsContact CD1-CD2 3.48Å; L483-L508 HydrophobicContact CD1-CG 4.16Å; L483-L508 HydrophobicContact CG-CD2 4.48Å; L483-M512 HydrophobicContact CB-SD 3.54Å; L483-M512 VanDerWaalsContact CB-SD 3.54Å; L483-M512 HydrophobicContact CD1-CE 4.44Å; L483-M512 HydrophobicContact CD1-SD 4.06Å; L483-M512 HydrophobicContact CG-SD 4.45Å
484	L	95.8	Very high	90.3	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-42.3	175.8	-79.3	173.2	0	0	0	111.7	S480 K486 L487 K488 M512 D515 A516 L522 L525	S480-L484 WeakPolarHBondContact O-CB 3.31Å; S480-L484 WeakPolarHBondContact O-CG 3.36Å; S480-L484 PolarHBondContact O-N 3.04Å; L484-K486 PolarHBondContact O-N 3.09Å; L484-L487 PolarHBondContact O-N 3.04Å; L484-K488 WeakPolarHBondContact O-CB 3.36Å; L484-K488 PolarHBondContact O-N 2.68Å; L484-M512 HydrophobicContact CD1-CB 4.3Å; L484-M512 HydrophobicContact CD1-CG 4.42Å; L484-M512 HydrophobicContact CD2-CB 3.9Å; L484-M512 HydrophobicContact CD2-CG 4.24Å; L484-M512 HydrophobicContact CD2-SD 4.45Å; L484-M512 HydrophobicContact CG-CB 3.99Å; L484-M512 HydrophobicContact CG-CG 3.91Å; L484-M512 HydrophobicContact CG-SD 4.33Å; L484-D515 HydrophobicContact CD1-CB 3.61Å; L484-A516 HydrophobicContact CD2-CB 4.48Å; L484-L522 HydrophobicContact CB-CD1 4.11Å; L484-L522 HydrophobicContact CD1-CD1 3.88Å; L484-L522 HydrophobicContact CD2-CD1 4.03Å; L484-L522 HydrophobicContact CG-CD1 4.23Å; L484-L525 HydrophobicContact CD2-CD2 3.48Å; L484-L525 VanDerWaalsContact CD2-CD2 3.48Å
485	N	94.6	Very high	91.8	Very high	82 Å²	82	39.8 Å²	39.8	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-43.7	176	-174.9	57	0	0	0	112	R481 E482 L483 L487 K488 L489	R481-N485 PolarHBondContact O-N 3.2Å; R481-N485 VanDerWaalsContact O-N 3.11Å; E482-N485 PolarHBondContact O-N 3.07Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 3.44Å; N485-L487 PolarHBondContact O-N 3.25Å; N485-K488 PolarHBondContact O-N 2.67Å; N485-L489 WeakPolarHBondContact O-CG 3.11Å; N485-L489 PolarHBondContact O-N 3.15Å; N485-L489 VanDerWaalsContact O-N 3.08Å
486	K	95.6	Very high	92.8	Very high	14 Å²	14	39.5 Å²	39.5	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-45.8	174.8	-69.1	179.1	-176.3	-178.5	0	111.9	Q379 D380 V382 E455 E482 L483 L484 L489 A490	Q379-K486 HydrophobicContact CB-CG 3.96Å; D380-K486 VanDerWaalsContact O-CE 3.31Å; D380-K486 WeakPolarHBondContact O-CE 3.37Å; D380-K486 PolarHBondContact O-NZ 3.33Å; V382-K486 HydrophobicContact CG2-CB 3.84Å; V382-K486 HydrophobicContact CG2-CD 4.12Å; V382-K486 HydrophobicContact CG2-CG 4.35Å; E455-K486 PolarHBondContact O-NZ 3.38Å; E482-K486 WeakPolarHBondContact O-CG 3.28Å; E482-K486 PolarHBondContact O-N 2.78Å; E482-K486 VanDerWaalsContact O-N 3.17Å; E482-K486 WeakPolarHBondContact OE1-CE 3.41Å; E482-K486 IonicContact OE1-NZ 2.76Å; E482-K486 PolarHBondContact OE1-NZ 3.37Å; L483-K486 HydrophobicContact CD2-CD 4.13Å; L483-K486 WeakPolarHBondContact O-CB 3.4Å; L483-K486 PolarHBondContact O-N 3.29Å; L483-K486 VanDerWaalsContact O-N 3.15Å; L484-K486 PolarHBondContact O-N 3.09Å; K486-L489 PolarHBondContact O-N 3.44Å; K486-A490 WeakPolarHBondContact O-CB 3.34Å; K486-A490 PolarHBondContact O-N 2.98Å
487	L	96.8	Very high	93.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-43.5	-178.9	-72.2	178.1	0	0	0	111.5	L400 V454 L483 L484 N485 L489 A490 G491 V492 W499 M512	L400-L487 HydrophobicContact CD1-CD2 4.24Å; L400-L487 HydrophobicContact CD2-CD2 4.14Å; V454-L487 HydrophobicContact CG2-CD2 3.77Å; L483-L487 WeakPolarHBondContact O-CB 3.32Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.33Å; L483-L487 PolarHBondContact O-N 3.22Å; L484-L487 PolarHBondContact O-N 3.04Å; N485-L487 PolarHBondContact O-N 3.25Å; L487-L489 PolarHBondContact O-N 3.27Å; L487-A490 CarbonylContact O-C 3.52Å; L487-A490 WeakPolarHBondContact O-CA 3.47Å; L487-A490 PolarHBondContact O-N 3.04Å; L487-A490 VanDerWaalsContact O-N 3.1Å; L487-G491 PolarHBondContact O-N 3.35Å; L487-V492 HydrophobicContact CB-CB 4.01Å; L487-V492 HydrophobicContact CB-CG1 4.28Å; L487-V492 HydrophobicContact CB-CG2 4.49Å; L487-V492 HydrophobicContact CD2-CB 4.19Å; L487-V492 HydrophobicContact CD2-CG1 4.18Å; L487-V492 HydrophobicContact CD2-CG2 3.92Å; L487-V492 WeakPolarHBondContact O-CB 3.31Å; L487-V492 PolarHBondContact O-N 3.49Å; L487-W499 HydrophobicContact CD1-CH2 3.59Å; L487-W499 HydrophobicContact CD1-CZ3 3.83Å; L487-M512 HydrophobicContact CD1-SD 4.18Å
488	K	95.6	Very high	94.3	Very high	83 Å²	83	36.7 Å²	36.7	36%	0.361	17%	0.168	S	C	.	.	H	α-helix	trans	-57.1	-48.2	174.4	-173.9	179.1	-177.3	177.1	0	111.2	L484 N485 A490 G491 D521 L522	L484-K488 WeakPolarHBondContact O-CB 3.36Å; L484-K488 PolarHBondContact O-N 2.68Å; N485-K488 PolarHBondContact O-N 2.67Å; K488-A490 VanDerWaalsContact C-N 3.26Å; K488-A490 PolarHBondContact O-N 3.21Å; K488-G491 PolarHBondContact O-N 2.81Å; K488-D521 IonicContact NZ-OD2 3.07Å; K488-D521 PolarHBondContact NZ-OD2 3.08Å; K488-L522 HydrophobicContact CB-CD2 4.14Å; K488-L522 HydrophobicContact CD-CD2 4.08Å; K488-L522 HydrophobicContact CG-CD2 4.24Å
489	L	95.9	Very high	95	Very high	67 Å²	67	32.9 Å²	32.9	35%	0.351	15%	0.153	S	C	.	.	H	α-helix	trans	-65.1	-29.5	176.6	-69.1	173.2	0	0	0	113.2	K377 Q379 N485 K486 L487 G491	K377-L489 HydrophobicContact CB-CB 4.48Å; K377-L489 PolarHBondContact N-O 3.34Å; K377-L489 CarbonylContact O-C 3.57Å; Q379-L489 VanDerWaalsContact CD-CD1 3.45Å; Q379-L489 HydrophobicContact CG-CD1 3.96Å; N485-L489 WeakPolarHBondContact O-CG 3.11Å; N485-L489 PolarHBondContact O-N 3.15Å; N485-L489 VanDerWaalsContact O-N 3.08Å; K486-L489 PolarHBondContact O-N 3.44Å; L487-L489 PolarHBondContact O-N 3.27Å; L489-G491 PolarHBondContact O-N 2.92Å
490	A	96.6	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	6.6	172.8	0	0	0	0	0	113.6	E376 Y378 R450 K486 L487 K488 V492	E376-A490 WeakPolarHBondContact CG-O 3.37Å; Y378-A490 HydrophobicContact CD1-CB 4.06Å; Y378-A490 HydrophobicContact CE1-CB 4.07Å; R450-A490 PolarHBondContact NH1-O 2.94Å; R450-A490 PolarHBondContact NH2-O 3.45Å; K486-A490 WeakPolarHBondContact O-CB 3.34Å; K486-A490 PolarHBondContact O-N 2.98Å; L487-A490 CarbonylContact O-C 3.52Å; L487-A490 WeakPolarHBondContact O-CA 3.47Å; L487-A490 PolarHBondContact O-N 3.04Å; L487-A490 VanDerWaalsContact O-N 3.1Å; K488-A490 VanDerWaalsContact C-N 3.26Å; K488-A490 PolarHBondContact O-N 3.21Å; A490-V492 HydrophobicContact CB-CG2 4.24Å; A490-V492 PolarHBondContact O-N 3.25Å
491	G	95.6	Very high	95.9	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	28.4	179.8	0	0	0	0	0	113.2	R450 L487 K488 L489 R495	R450-G491 PolarHBondContact NH2-O 3.34Å; L487-G491 PolarHBondContact O-N 3.35Å; K488-G491 PolarHBondContact O-N 2.81Å; L489-G491 PolarHBondContact O-N 2.92Å; G491-R495 PolarHBondContact O-NH1 3.05Å; G491-R495 VanDerWaalsContact O-NH1 3.1Å
492	V	96.8	Very high	96	Very high	10 Å²	10	25.9 Å²	25.9	6%	0.061	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	134.3	176.7	171.1	0	0	0	0	109	L400 L452 L487 A490 V497 L525	L400-V492 HydrophobicContact CD1-CG1 3.48Å; L400-V492 VanDerWaalsContact CD1-CG1 3.48Å; L400-V492 HydrophobicContact CD2-CG1 4.32Å; L400-V492 HydrophobicContact CD2-CG2 4.09Å; L400-V492 HydrophobicContact CG-CG1 4.42Å; L452-V492 HydrophobicContact CD1-CG2 3.83Å; L487-V492 HydrophobicContact CB-CB 4.01Å; L487-V492 HydrophobicContact CB-CG1 4.28Å; L487-V492 HydrophobicContact CB-CG2 4.49Å; L487-V492 HydrophobicContact CD2-CB 4.19Å; L487-V492 HydrophobicContact CD2-CG1 4.18Å; L487-V492 HydrophobicContact CD2-CG2 3.92Å; L487-V492 WeakPolarHBondContact O-CB 3.31Å; L487-V492 PolarHBondContact O-N 3.49Å; A490-V492 HydrophobicContact CB-CG2 4.24Å; A490-V492 PolarHBondContact O-N 3.25Å; V492-V497 HydrophobicContact CG1-CG2 4.3Å; V492-L525 HydrophobicContact CG1-CD1 3.76Å
493	G	95	Very high	96	Very high	6 Å²	6	23.8 Å²	23.8	6%	0.062	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-1.2	-171.7	0	0	0	0	0	113.9	G524 N528	G493-G524 CarbonylContact O-C 3.55Å; G493-G524 VanDerWaalsContact O-O 3.1Å; G493-N528 PolarHBondContact O-ND2 2.6Å
494	E	94.3	Very high	95.8	Very high	140 Å²	140	24 Å²	24	65%	0.654	12%	0.12	S	C	*	.	S	Bend	trans	-83.7	-18.6	170.2	-64.2	-176.2	174.1	0	0	113
495	R	95.1	Very high	95.6	Very high	42 Å²	42	23.6 Å²	23.6	16%	0.158	12%	0.117	C	C	.	.	S	Bend	trans	-136.1	162.4	-179.8	64.9	-172	71.9	70.8	0.9	109.9	E376 D398 G491 V497 N528	E376-R495 IonicContact OE1-NH2 2.66Å; D398-R495 HydrophobicContact CB-CG 4.44Å; D398-R495 WeakPolarHBondContact OD1-CD 3.35Å; D398-R495 IonicContact OD1-NH1 2.76Å; D398-R495 PolarHBondContact OD1-NH1 3.27Å; D398-R495 WeakPolarHBondContact OD2-CG 3.4Å; D398-R495 IonicContact OD2-NH1 3.15Å; D398-R495 PolarHBondContact OD2-NH1 2.89Å; D398-R495 VanDerWaalsContact OD2-NH1 3.14Å; G491-R495 PolarHBondContact O-NH1 3.05Å; G491-R495 VanDerWaalsContact O-NH1 3.1Å; R495-V497 VanDerWaalsContact O-CG2 3.26Å; R495-V497 WeakPolarHBondContact O-CG2 3.46Å; R495-V497 PolarHBondContact O-N 3.17Å; R495-N528 WeakPolarHBondContact O-CB 3.42Å
496	P	97.6	Very high	95.6	Very high	19 Å²	19	19.7 Å²	19.7	12%	0.123	10%	0.097	C	C	.	.			trans	-49.6	136.2	178.4	-27.2	33.8	0	0	0	112.6	A397 D398 N528 K530 L653 F656	A397-P496 CarbonylContact C-O 3.5Å; A397-P496 VanDerWaalsContact CA-O 3.31Å; A397-P496 WeakPolarHBondContact CA-O 3.28Å; A397-P496 HydrophobicContact CB-CB 4.06Å; A397-P496 VanDerWaalsContact CB-O 3.31Å; A397-P496 WeakPolarHBondContact CB-O 3.4Å; D398-P496 PolarHBondContact N-O 3.12Å; P496-N528 CarbonylContact C-O 3.56Å; P496-N528 WeakPolarHBondContact CA-O 3.26Å; P496-K530 HydrophobicContact CB-CG 3.94Å; P496-L653 HydrophobicContact CB-CD2 3.74Å; P496-F656 HydrophobicContact CB-CB 4.24Å; P496-F656 HydrophobicContact CB-CG 4.42Å; P496-F656 HydrophobicContact CG-CB 3.65Å; P496-F656 HydrophobicContact CG-CD1 4.49Å; P496-F656 HydrophobicContact CG-CG 4.06Å
497	V	98.3	Very high	95.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.7	-174.5	-174.5	0	0	0	0	110.3	D398 L400 V492 R495 W499 L525 N528 K530	D398-V497 HydrophobicContact CB-CG2 4.32Å; D398-V497 CarbonylContact O-C 3.53Å; D398-V497 WeakPolarHBondContact O-CA 3.41Å; L400-V497 HydrophobicContact CD1-CG1 3.42Å; L400-V497 VanDerWaalsContact CD1-CG1 3.42Å; L400-V497 HydrophobicContact CG-CG1 3.92Å; V492-V497 HydrophobicContact CG1-CG2 4.3Å; R495-V497 VanDerWaalsContact O-CG2 3.26Å; R495-V497 WeakPolarHBondContact O-CG2 3.46Å; R495-V497 PolarHBondContact O-N 3.17Å; V497-W499 HydrophobicContact CG1-CD2 4.26Å; V497-W499 HydrophobicContact CG1-CG 4.43Å; V497-W499 HydrophobicContact CG1-CZ2 4.25Å; V497-L525 HydrophobicContact CG2-CD1 4.34Å; V497-N528 PolarHBondContact N-O 3.35Å; V497-K530 PolarHBondContact O-N 3.4Å
498	V	98.7	Very high	95.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.6	164.5	177.4	0	0	0	0	109.4	D398 V399 L400 G531 F648 I649 A652 L653	D398-V498 PolarHBondContact O-N 3.12Å; V399-V498 CarbonylContact C-O 3.42Å; V399-V498 WeakPolarHBondContact CA-O 3.48Å; L400-V498 PolarHBondContact N-O 3.2Å; V498-G531 CarbonylContact C-O 3.57Å; V498-G531 VanDerWaalsContact CA-O 3.3Å; V498-G531 WeakPolarHBondContact CA-O 3.34Å; V498-F648 HydrophobicContact CG1-CE1 4.22Å; V498-I649 HydrophobicContact CG1-CG1 4.15Å; V498-A652 HydrophobicContact CG2-CB 3.87Å; V498-L653 HydrophobicContact CG2-CD1 3.92Å; V498-L653 HydrophobicContact CG2-CD2 3.8Å; V498-L653 HydrophobicContact CG2-CG 3.68Å
499	W	98.7	Very high	95.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139	177.4	-56	82.7	0	0	0	110.5	L400 I402 L487 V497 V509 M512 L513 L525 T529 G531 I532 M533	L400-W499 HydrophobicContact CB-CD2 4.4Å; L400-W499 HydrophobicContact CB-CE3 3.84Å; L400-W499 HydrophobicContact CB-CZ3 4.23Å; L400-W499 HydrophobicContact CD1-CD2 4.01Å; L400-W499 HydrophobicContact CD1-CE3 3.67Å; L400-W499 HydrophobicContact CD1-CH2 3.59Å; L400-W499 HydrophobicContact CD1-CZ2 3.91Å; L400-W499 HydrophobicContact CD1-CZ3 3.44Å; L400-W499 VanDerWaalsContact CD1-CZ3 3.44Å; L400-W499 HydrophobicContact CG-CE3 4.42Å; L400-W499 HydrophobicContact CG-CZ3 4.5Å; I402-W499 HydrophobicContact CD1-CZ3 4.49Å; I402-W499 HydrophobicContact CG1-CE3 4.22Å; I402-W499 HydrophobicContact CG1-CZ3 4.45Å; L487-W499 HydrophobicContact CD1-CH2 3.59Å; L487-W499 HydrophobicContact CD1-CZ3 3.83Å; V497-W499 HydrophobicContact CG1-CD2 4.26Å; V497-W499 HydrophobicContact CG1-CG 4.43Å; V497-W499 HydrophobicContact CG1-CZ2 4.25Å; W499-V509 HydrophobicContact CB-CG1 4.17Å; W499-V509 HydrophobicContact CD2-CG1 3.94Å; W499-V509 HydrophobicContact CD2-CG2 4.4Å; W499-V509 HydrophobicContact CE3-CG1 4.13Å; W499-V509 HydrophobicContact CE3-CG2 3.81Å; W499-V509 HydrophobicContact CG-CG1 3.98Å; W499-V509 HydrophobicContact CZ3-CG2 4.38Å; W499-M512 HydrophobicContact CE3-CE 4.42Å; W499-M512 HydrophobicContact CH2-CE 4.09Å; W499-M512 HydrophobicContact CZ3-CE 3.63Å; W499-L513 HydrophobicContact CZ2-CD2 4.31Å; W499-L525 HydrophobicContact CH2-CD1 4.29Å; W499-L525 HydrophobicContact CH2-CD2 4.32Å; W499-L525 HydrophobicContact CZ2-CD1 3.72Å; W499-L525 HydrophobicContact CZ2-CD2 4.12Å; W499-L525 HydrophobicContact CZ2-CG 4.08Å; W499-T529 VanDerWaalsContact CD1-CG2 3.5Å; W499-T529 VanDerWaalsContact NE1-CG2 3.34Å; W499-T529 PolarHBondContact NE1-OG1 3.45Å; W499-G531 PolarHBondContact N-O 2.81Å; W499-I532 HydrophobicContact CB-CB 4.4Å; W499-I532 HydrophobicContact CB-CG1 4.06Å; W499-I532 HydrophobicContact CB-CG2 4.09Å; W499-I532 HydrophobicContact CG-CG1 4.21Å; W499-I532 CarbonylContact O-C 3.57Å; W499-I532 WeakPolarHBondContact O-CA 3.48Å; W499-M533 PolarHBondContact O-N 3.01Å
500	V	98.8	Very high	95.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.7	173.5	-177.9	0	0	0	0	107.5	V399 L400 F401 I402 W413 M533 Y535	V399-V500 HydrophobicContact CG1-CG2 3.92Å; L400-V500 PolarHBondContact O-N 3.14Å; F401-V500 CarbonylContact C-O 3.57Å; F401-V500 WeakPolarHBondContact CA-O 3.42Å; F401-V500 HydrophobicContact CD1-CB 3.7Å; F401-V500 HydrophobicContact CD1-CG1 3.67Å; F401-V500 HydrophobicContact CD1-CG2 4.41Å; F401-V500 HydrophobicContact CE1-CB 3.71Å; F401-V500 HydrophobicContact CE1-CG1 3.51Å; F401-V500 HydrophobicContact CE1-CG2 4.01Å; F401-V500 HydrophobicContact CE2-CG2 4.41Å; F401-V500 HydrophobicContact CG-CB 4.21Å; F401-V500 HydrophobicContact CZ-CB 4.19Å; F401-V500 HydrophobicContact CZ-CG1 4.34Å; F401-V500 HydrophobicContact CZ-CG2 4Å; I402-V500 PolarHBondContact N-O 3.11Å; W413-V500 HydrophobicContact CH2-CG1 3.95Å; W413-V500 HydrophobicContact CZ3-CG1 3.95Å; V500-M533 HydrophobicContact CB-CE 4.11Å; V500-M533 HydrophobicContact CG1-CE 3.4Å; V500-M533 HydrophobicContact CG2-CB 4.47Å; V500-M533 HydrophobicContact CG2-CE 3.66Å; V500-Y535 HydrophobicContact CG1-CD2 4.15Å; V500-Y535 HydrophobicContact CG1-CE2 3.61Å
501	A	98	Very high	95.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.9	-170.2	0	0	0	0	0	112.3	I402 V509 M533 F534 Y535	I402-A501 HydrophobicContact CB-CB 4.29Å; I402-A501 WeakPolarHBondContact O-CA 3.01Å; A501-V509 HydrophobicContact CB-CG2 3.96Å; A501-M533 PolarHBondContact N-O 2.64Å; A501-F534 HydrophobicContact CB-CD1 4.32Å; A501-F534 WeakPolarHBondContact O-CA 3.28Å; A501-Y535 PolarHBondContact O-N 3.26Å
502	H	95.3	Very high	95.4	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.056	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.8	177.8	173.1	-112.7	0	0	0	111.2	I402 G404 T412 W413 M504 G505 Y535 H628	I402-H502 PolarHBondContact O-N 2.75Å; G404-H502 WeakPolarHBondContact CA-O 3.34Å; G404-H502 PolarHBondContact N-O 2.9Å; T412-H502 HydrophobicContact CG2-CB 4.06Å; W413-H502 HydrophobicContact CH2-CB 3.89Å; W413-H502 HydrophobicContact CZ3-CB 4.43Å; H502-M504 PolarHBondContact O-N 3.21Å; H502-G505 WeakPolarHBondContact O-CA 3.47Å; H502-G505 PolarHBondContact O-N 3.33Å; H502-Y535 WeakPolarHBondContact CA-O 3.36Å; H502-Y535 PolarHBondContact CD2-O 2.94Å; H502-H628 AromaticContact CE1-NE2 3.72Å; H502-H628 AromaticContact NE2-CD2 3.97Å; H502-H628 AromaticContact NE2-CE1 3.9Å; H502-H628 AromaticContact NE2-NE2 3.71Å; H502-H628 PolarHBondContact NE2-O 3.18Å
503	S	90.4	Very high	95.5	Very high	10 Å²	10	13.3 Å²	13.3	7%	0.07	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-128.5	172.5	-168.3	0	0	0	0	113.1	G505 G506 Y535 S536 V537 H628	S503-G505 PolarHBondContact O-N 3.47Å; S503-G505 VanDerWaalsContact O-N 3.09Å; S503-G506 PolarHBondContact O-N 3.24Å; S503-Y535 PolarHBondContact N-O 3.19Å; S503-S536 WeakPolarHBondContact CA-O 3.19Å; S503-V537 WeakPolarHBondContact O-CG1 3.35Å; S503-V537 WeakPolarHBondContact O-CG2 3Å; S503-H628 WeakPolarHBondContact CB-NE2 3.5Å; S503-H628 PolarHBondContact OG-CE1 2.78Å; S503-H628 VanDerWaalsContact OG-CE1 3.32Å; S503-H628 PolarHBondContact OG-NE2 3.01Å
504	M	88.4	Confident	95.5	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.025	7%	0.07	C	C	.	.	H	α-helix	trans	-53.4	-29	178	-166.2	-164.2	110	0	0	113.4	I405 Y456 H502 G506 L507 L508 E560 L564	I405-M504 HydrophobicContact CB-SD 4.41Å; Y456-M504 HydrophobicContact CD2-CE 4.36Å; Y456-M504 HydrophobicContact CE2-CE 3.38Å; H502-M504 PolarHBondContact O-N 3.21Å; M504-G506 PolarHBondContact O-N 3.35Å; M504-L507 PolarHBondContact O-N 2.98Å; M504-L507 VanDerWaalsContact O-N 3.12Å; M504-L508 PolarHBondContact O-N 2.73Å; M504-E560 HydrophobicContact SD-CB 4.28Å; M504-E560 HydrophobicContact SD-CG 4.41Å; M504-L564 HydrophobicContact CG-CD1 4.37Å
505	G	91.5	Very high	95.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.4	-32.2	175.6	0	0	0	0	0	112.8	H403 H502 S503 L508 V509	H403-G505 VanDerWaalsContact O-CA 3.27Å; H403-G505 WeakPolarHBondContact O-CA 3.5Å; H502-G505 WeakPolarHBondContact O-CA 3.47Å; H502-G505 PolarHBondContact O-N 3.33Å; S503-G505 PolarHBondContact O-N 3.47Å; S503-G505 VanDerWaalsContact O-N 3.09Å; G505-L508 WeakPolarHBondContact O-CB 3.48Å; G505-L508 PolarHBondContact O-N 3.3Å; G505-V509 WeakPolarHBondContact O-CG2 3.46Å; G505-V509 PolarHBondContact O-N 3.03Å
506	G	94.9	Very high	95.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.5	-38.5	176.2	0	0	0	0	0	113	S503 M504 L508 V509 K510	S503-G506 PolarHBondContact O-N 3.24Å; M504-G506 PolarHBondContact O-N 3.35Å; G506-L508 VanDerWaalsContact C-N 3.29Å; G506-V509 PolarHBondContact O-N 3.17Å; G506-K510 WeakPolarHBondContact O-CG 3.41Å; G506-K510 PolarHBondContact O-N 3.22Å; G506-K510 VanDerWaalsContact O-N 3.09Å
507	L	93.1	Very high	95.4	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-67	-35.8	173.1	-57.9	-176.4	0	0	0	111.3	L476 M504 K510 K511 V537 P538 L564 L571 L574	L476-L507 HydrophobicContact CD2-CB 4.38Å; M504-L507 PolarHBondContact O-N 2.98Å; M504-L507 VanDerWaalsContact O-N 3.12Å; L507-K510 WeakPolarHBondContact O-CB 3.42Å; L507-K510 PolarHBondContact O-N 2.83Å; L507-K511 PolarHBondContact O-N 2.9Å; L507-V537 HydrophobicContact CD2-CG1 3.98Å; L507-V537 HydrophobicContact CG-CG1 4.2Å; L507-P538 HydrophobicContact CD1-CG 4.32Å; L507-L564 HydrophobicContact CD1-CD2 3.21Å; L507-L571 HydrophobicContact CD1-CD1 3.84Å; L507-L571 HydrophobicContact CD2-CD1 3.83Å; L507-L571 HydrophobicContact CG-CD1 4.44Å; L507-L574 HydrophobicContact CB-CD2 4.21Å; L507-L574 HydrophobicContact CD2-CD2 4.43Å
508	L	92.8	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.9	-41.4	174.4	-176.9	57.6	0	0	0	111.5	I402 Y456 L476 R479 L483 M504 G505 G506 K510 K511 M512	I402-L508 HydrophobicContact CG2-CD2 4.44Å; Y456-L508 HydrophobicContact CD1-CD2 3.52Å; Y456-L508 HydrophobicContact CD2-CD2 4.2Å; Y456-L508 HydrophobicContact CE1-CD2 3.6Å; Y456-L508 HydrophobicContact CE2-CD2 4.26Å; Y456-L508 HydrophobicContact CG-CD2 3.82Å; L476-L508 HydrophobicContact CD1-CB 3.87Å; L476-L508 HydrophobicContact CD1-CD1 3.91Å; L476-L508 HydrophobicContact CD1-CG 4.48Å; L476-L508 HydrophobicContact CG-CD1 4.39Å; R479-L508 HydrophobicContact CB-CD1 3.77Å; R479-L508 HydrophobicContact CB-CD2 4.27Å; L483-L508 HydrophobicContact CD1-CD2 3.48Å; L483-L508 VanDerWaalsContact CD1-CD2 3.48Å; L483-L508 HydrophobicContact CD1-CG 4.16Å; L483-L508 HydrophobicContact CG-CD2 4.48Å; M504-L508 PolarHBondContact O-N 2.73Å; G505-L508 WeakPolarHBondContact O-CB 3.48Å; G505-L508 PolarHBondContact O-N 3.3Å; G506-L508 VanDerWaalsContact C-N 3.29Å; L508-K510 PolarHBondContact O-N 3.3Å; L508-K511 PolarHBondContact O-N 3.18Å; L508-M512 HydrophobicContact CG-CE 4.45Å; L508-M512 WeakPolarHBondContact O-CG 3.44Å; L508-M512 PolarHBondContact O-N 3.32Å
509	V	97.3	Very high	94.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.8	-45.8	171.9	171.9	0	0	0	0	111.4	I402 W499 A501 G505 G506 K511 M512 L513 I532	I402-V509 HydrophobicContact CB-CG2 4.18Å; I402-V509 HydrophobicContact CG1-CG2 3.79Å; I402-V509 HydrophobicContact CG2-CG2 4.46Å; W499-V509 HydrophobicContact CB-CG1 4.17Å; W499-V509 HydrophobicContact CD2-CG1 3.94Å; W499-V509 HydrophobicContact CD2-CG2 4.4Å; W499-V509 HydrophobicContact CE3-CG1 4.13Å; W499-V509 HydrophobicContact CE3-CG2 3.81Å; W499-V509 HydrophobicContact CG-CG1 3.98Å; W499-V509 HydrophobicContact CZ3-CG2 4.38Å; A501-V509 HydrophobicContact CB-CG2 3.96Å; G505-V509 WeakPolarHBondContact O-CG2 3.46Å; G505-V509 PolarHBondContact O-N 3.03Å; G506-V509 PolarHBondContact O-N 3.17Å; V509-K511 VanDerWaalsContact C-N 3.31Å; V509-K511 PolarHBondContact O-N 2.89Å; V509-M512 HydrophobicContact CB-CE 4.37Å; V509-M512 HydrophobicContact CG2-CE 3.9Å; V509-M512 PolarHBondContact O-N 2.82Å; V509-L513 HydrophobicContact CG1-CD1 4.09Å; V509-L513 HydrophobicContact CG1-CG 4.5Å; V509-L513 WeakPolarHBondContact O-CG 3.41Å; V509-L513 PolarHBondContact O-N 3.13Å; V509-I532 HydrophobicContact CG1-CD1 4.33Å
510	K	96.8	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-45.1	175.3	-64.5	-172.1	-177.2	-169.3	0	111.9	G506 L507 L508 M512 L513 L514 F534 H539 L574 N575 F578	G506-K510 WeakPolarHBondContact O-CG 3.41Å; G506-K510 PolarHBondContact O-N 3.22Å; G506-K510 VanDerWaalsContact O-N 3.09Å; L507-K510 WeakPolarHBondContact O-CB 3.42Å; L507-K510 PolarHBondContact O-N 2.83Å; L508-K510 PolarHBondContact O-N 3.3Å; K510-M512 VanDerWaalsContact C-N 3.35Å; K510-M512 PolarHBondContact O-N 3.29Å; K510-L513 PolarHBondContact O-N 3.23Å; K510-L514 PolarHBondContact O-N 2.95Å; K510-F534 HydrophobicContact CG-CZ 4.46Å; K510-H539 WeakPolarHBondContact CE-ND1 3.41Å; K510-H539 PolarHBondContact NZ-ND1 2.92Å; K510-L574 HydrophobicContact CB-CD1 4.22Å; K510-L574 HydrophobicContact CB-CD2 4.28Å; K510-L574 HydrophobicContact CB-CG 4.08Å; K510-N575 PolarHBondContact NZ-OD1 3.46Å; K510-F578 HydrophobicContact CB-CB 4.05Å; K510-F578 HydrophobicContact CB-CD2 4.19Å; K510-F578 HydrophobicContact CB-CG 4.1Å; K510-F578 HydrophobicContact CD-CB 3.91Å; K510-F578 HydrophobicContact CD-CD1 3.74Å; K510-F578 HydrophobicContact CD-CD2 4.48Å; K510-F578 HydrophobicContact CD-CE1 4.4Å; K510-F578 HydrophobicContact CD-CG 3.77Å; K510-F578 HydrophobicContact CG-CB 3.96Å; K510-F578 HydrophobicContact CG-CD1 3.89Å; K510-F578 HydrophobicContact CG-CD2 3.8Å; K510-F578 HydrophobicContact CG-CE1 4.34Å; K510-F578 HydrophobicContact CG-CE2 4.29Å; K510-F578 HydrophobicContact CG-CG 3.58Å
511	K	95.3	Very high	94	Very high	41 Å²	41	28.4 Å²	28.4	18%	0.178	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-40.7	179.8	-172.3	70.8	-165.5	77.4	0	111.7	L476 L507 L508 V509 L514 D515 L574	L476-K511 HydrophobicContact CD2-CB 3.74Å; L476-K511 HydrophobicContact CD2-CD 4.4Å; L476-K511 HydrophobicContact CD2-CG 4.12Å; L476-K511 HydrophobicContact CG-CB 3.86Å; L476-K511 HydrophobicContact CG-CG 4.03Å; L507-K511 PolarHBondContact O-N 2.9Å; L508-K511 PolarHBondContact O-N 3.18Å; V509-K511 VanDerWaalsContact C-N 3.31Å; V509-K511 PolarHBondContact O-N 2.89Å; K511-L514 PolarHBondContact O-N 3.15Å; K511-D515 IonicContact NZ-OD1 2.68Å; K511-D515 PolarHBondContact NZ-OD1 2.75Å; K511-D515 IonicContact NZ-OD2 3.36Å; K511-D515 PolarHBondContact NZ-OD2 2.93Å; K511-D515 PolarHBondContact O-N 2.81Å; K511-L574 HydrophobicContact CB-CD1 3.81Å; K511-L574 HydrophobicContact CD-CD1 3.7Å; K511-L574 HydrophobicContact CG-CD1 4.37Å
512	M	97	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-41.5	175.4	-73.5	-170.4	-62.9	0	0	112.2	S480 L483 L484 L487 W499 L508 V509 K510 D515 A516	S480-M512 WeakPolarHBondContact OG-CA 3.08Å; S480-M512 WeakPolarHBondContact OG-CG 3.47Å; S480-M512 PolarHBondContact OG-N 3.37Å; L483-M512 HydrophobicContact CB-SD 3.54Å; L483-M512 VanDerWaalsContact CB-SD 3.54Å; L483-M512 HydrophobicContact CD1-CE 4.44Å; L483-M512 HydrophobicContact CD1-SD 4.06Å; L483-M512 HydrophobicContact CG-SD 4.45Å; L484-M512 HydrophobicContact CD1-CB 4.3Å; L484-M512 HydrophobicContact CD1-CG 4.42Å; L484-M512 HydrophobicContact CD2-CB 3.9Å; L484-M512 HydrophobicContact CD2-CG 4.24Å; L484-M512 HydrophobicContact CD2-SD 4.45Å; L484-M512 HydrophobicContact CG-CB 3.99Å; L484-M512 HydrophobicContact CG-CG 3.91Å; L484-M512 HydrophobicContact CG-SD 4.33Å; L487-M512 HydrophobicContact CD1-SD 4.18Å; W499-M512 HydrophobicContact CE3-CE 4.42Å; W499-M512 HydrophobicContact CH2-CE 4.09Å; W499-M512 HydrophobicContact CZ3-CE 3.63Å; L508-M512 HydrophobicContact CG-CE 4.45Å; L508-M512 WeakPolarHBondContact O-CG 3.44Å; L508-M512 PolarHBondContact O-N 3.32Å; V509-M512 HydrophobicContact CB-CE 4.37Å; V509-M512 HydrophobicContact CG2-CE 3.9Å; V509-M512 PolarHBondContact O-N 2.82Å; K510-M512 VanDerWaalsContact C-N 3.35Å; K510-M512 PolarHBondContact O-N 3.29Å; M512-D515 PolarHBondContact O-N 2.98Å; M512-A516 WeakPolarHBondContact O-CB 3.06Å; M512-A516 PolarHBondContact O-N 3.24Å
513	L	97.6	Very high	93.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-37.9	177.3	-65.3	171.1	0	0	0	111.7	W499 V509 K510 A516 A517 L526 T529 I532 F578	W499-L513 HydrophobicContact CZ2-CD2 4.31Å; V509-L513 HydrophobicContact CG1-CD1 4.09Å; V509-L513 HydrophobicContact CG1-CG 4.5Å; V509-L513 WeakPolarHBondContact O-CG 3.41Å; V509-L513 PolarHBondContact O-N 3.13Å; K510-L513 PolarHBondContact O-N 3.23Å; L513-A516 PolarHBondContact O-N 3.14Å; L513-A517 PolarHBondContact O-N 3.18Å; L513-L526 HydrophobicContact CB-CD2 3.96Å; L513-L526 HydrophobicContact CD2-CD2 3.8Å; L513-L526 HydrophobicContact CG-CD2 4.47Å; L513-L526 WeakPolarHBondContact O-CD2 2.93Å; L513-T529 HydrophobicContact CD2-CG2 4.41Å; L513-I532 HydrophobicContact CD1-CD1 3.6Å; L513-F578 HydrophobicContact CD1-CD2 4.07Å; L513-F578 HydrophobicContact CD1-CE2 3.72Å
514	L	96.2	Very high	93.8	Very high	36 Å²	36	33.4 Å²	33.4	19%	0.188	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-46.7	173.4	-75.9	163.8	0	0	0	112.4	K510 K511 A516 A517 D518 L574 I581	K510-L514 PolarHBondContact O-N 2.95Å; K511-L514 PolarHBondContact O-N 3.15Å; L514-A516 VanDerWaalsContact C-N 3.25Å; L514-A516 PolarHBondContact O-N 3.33Å; L514-A517 VanDerWaalsContact O-CB 3.29Å; L514-A517 WeakPolarHBondContact O-CB 3.25Å; L514-A517 PolarHBondContact O-N 3.26Å; L514-D518 PolarHBondContact O-N 3.38Å; L514-L574 HydrophobicContact CD1-CD1 3.56Å; L514-L574 HydrophobicContact CD1-CG 4.34Å; L514-I581 HydrophobicContact CD2-CD1 3.58Å; L514-I581 HydrophobicContact CG-CD1 4Å
515	D	95.3	Very high	94.2	Very high	34 Å²	34	33.4 Å²	33.4	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-35.7	175.1	-74.7	-40.2	0	0	0	111.8	S480 L484 K511 M512 A517 D518 D519	S480-D515 WeakPolarHBondContact CB-OD2 3.48Å; S480-D515 PolarHBondContact OG-OD2 2.79Å; L484-D515 HydrophobicContact CD1-CB 3.61Å; K511-D515 IonicContact NZ-OD1 2.68Å; K511-D515 PolarHBondContact NZ-OD1 2.75Å; K511-D515 IonicContact NZ-OD2 3.36Å; K511-D515 PolarHBondContact NZ-OD2 2.93Å; K511-D515 PolarHBondContact O-N 2.81Å; M512-D515 PolarHBondContact O-N 2.98Å; D515-A517 VanDerWaalsContact C-N 3.27Å; D515-A517 PolarHBondContact O-N 3.07Å; D515-D518 PolarHBondContact O-N 3.06Å; D515-D519 PolarHBondContact O-N 3.39Å
516	A	95.6	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-24.7	175.2	0	0	0	0	0	113.1	L484 M512 L513 L514 D518 D519 L522 Q523 L525 L526	L484-A516 HydrophobicContact CD2-CB 4.48Å; M512-A516 WeakPolarHBondContact O-CB 3.06Å; M512-A516 PolarHBondContact O-N 3.24Å; L513-A516 PolarHBondContact O-N 3.14Å; L514-A516 VanDerWaalsContact C-N 3.25Å; L514-A516 PolarHBondContact O-N 3.33Å; A516-D518 VanDerWaalsContact C-N 3.33Å; A516-D519 VanDerWaalsContact O-O 3.1Å; A516-L522 HydrophobicContact CB-CB 3.7Å; A516-L522 HydrophobicContact CB-CD1 4.2Å; A516-Q523 PolarHBondContact O-NE2 3.31Å; A516-L525 HydrophobicContact CB-CD2 4.28Å; A516-L526 HydrophobicContact CB-CD2 4.44Å; A516-L526 HydrophobicContact CB-CG 4.15Å
517	A	94.1	Very high	94.4	Very high	38 Å²	38	40.9 Å²	40.9	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-69	-35.8	174	0	0	0	0	0	111.7	L513 L514 D515 D519 Q523 L526 I581	L513-A517 PolarHBondContact O-N 3.18Å; L514-A517 VanDerWaalsContact O-CB 3.29Å; L514-A517 WeakPolarHBondContact O-CB 3.25Å; L514-A517 PolarHBondContact O-N 3.26Å; D515-A517 VanDerWaalsContact C-N 3.27Å; D515-A517 PolarHBondContact O-N 3.07Å; A517-D519 VanDerWaalsContact C-N 3.35Å; A517-Q523 PolarHBondContact O-NE2 2.77Å; A517-L526 HydrophobicContact CB-CD1 3.68Å; A517-I581 HydrophobicContact CB-CD1 4.1Å
518	D	91.3	Very high	94.5	Very high	141 Å²	141	42.2 Å²	42.2	75%	0.754	23%	0.232	S	C	*	.	H	α-helix	trans	-81.6	-13.5	179.4	-63.8	-29.8	0	0	0	113	L514 D515 A516	L514-D518 PolarHBondContact O-N 3.38Å; D515-D518 PolarHBondContact O-N 3.06Å; A516-D518 VanDerWaalsContact C-N 3.33Å
519	D	92.4	Very high	94.8	Very high	54 Å²	54	42.2 Å²	42.2	29%	0.289	23%	0.232	S	C	.	.			trans	-104.6	113.9	-179.7	-171.8	-17	0	0	0	111.6	D515 A516 A517 D521 L522 Q523	D515-D519 PolarHBondContact O-N 3.39Å; A516-D519 VanDerWaalsContact O-O 3.1Å; A517-D519 VanDerWaalsContact C-N 3.35Å; D519-D521 PolarHBondContact O-N 2.74Å; D519-D521 WeakPolarHBondContact OD1-CB 3.43Å; D519-D521 PolarHBondContact OD1-N 2.74Å; D519-L522 HydrophobicContact CB-CB 4.15Å; D519-L522 HydrophobicContact CB-CD1 3.94Å; D519-L522 HydrophobicContact CB-CG 4.14Å; D519-L522 PolarHBondContact O-N 2.96Å; D519-L522 VanDerWaalsContact O-N 3.08Å; D519-L522 WeakPolarHBondContact OD2-CD1 3.47Å; D519-Q523 PolarHBondContact O-NE2 3.49Å; D519-Q523 VanDerWaalsContact O-NE2 3.12Å
520	P	91.1	Very high	94.8	Very high	106 Å²	106	44 Å²	44	69%	0.688	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-57	-29.2	176.4	-26.1	35.5	0	0	0	114.4	L522 Q523	P520-L522 VanDerWaalsContact C-N 3.27Å; P520-L522 PolarHBondContact O-N 2.48Å; P520-Q523 VanDerWaalsContact O-CG 3.31Å; P520-Q523 WeakPolarHBondContact O-CG 3.49Å
521	D	90.4	Very high	94.9	Very high	115 Å²	115	44 Å²	44	62%	0.615	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-77.2	-16	-179.3	-71.3	-11.4	0	0	0	112.8	K488 D519	K488-D521 IonicContact NZ-OD2 3.07Å; K488-D521 PolarHBondContact NZ-OD2 3.08Å; D519-D521 PolarHBondContact O-N 2.74Å; D519-D521 WeakPolarHBondContact OD1-CB 3.43Å; D519-D521 PolarHBondContact OD1-N 2.74Å
522	L	93.1	Very high	95	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-105.7	6.2	-176.7	-64.7	175.6	0	0	0	113.2	L484 K488 A516 D519 P520 G524 L525 L526	L484-L522 HydrophobicContact CB-CD1 4.11Å; L484-L522 HydrophobicContact CD1-CD1 3.88Å; L484-L522 HydrophobicContact CD2-CD1 4.03Å; L484-L522 HydrophobicContact CG-CD1 4.23Å; K488-L522 HydrophobicContact CB-CD2 4.14Å; K488-L522 HydrophobicContact CD-CD2 4.08Å; K488-L522 HydrophobicContact CG-CD2 4.24Å; A516-L522 HydrophobicContact CB-CB 3.7Å; A516-L522 HydrophobicContact CB-CD1 4.2Å; D519-L522 HydrophobicContact CB-CB 4.15Å; D519-L522 HydrophobicContact CB-CD1 3.94Å; D519-L522 HydrophobicContact CB-CG 4.14Å; D519-L522 PolarHBondContact O-N 2.96Å; D519-L522 VanDerWaalsContact O-N 3.08Å; D519-L522 WeakPolarHBondContact OD2-CD1 3.47Å; P520-L522 VanDerWaalsContact C-N 3.27Å; P520-L522 PolarHBondContact O-N 2.48Å; L522-G524 PolarHBondContact O-N 2.79Å; L522-G524 VanDerWaalsContact O-N 3.15Å; L522-L525 WeakPolarHBondContact O-CA 3.01Å; L522-L525 WeakPolarHBondContact O-CB 3.19Å; L522-L525 PolarHBondContact O-N 3.06Å; L522-L526 PolarHBondContact O-N 2.99Å
523	Q	92.4	Very high	95.1	Very high	85 Å²	85	42.1 Å²	42.1	40%	0.397	23%	0.232	S	C	.	.	H	α-helix	trans	-58	-31.3	176.5	-62	-60.3	-44.4	0	0	112.6	A516 A517 D519 P520 L525 L526 K527	A516-Q523 PolarHBondContact O-NE2 3.31Å; A517-Q523 PolarHBondContact O-NE2 2.77Å; D519-Q523 PolarHBondContact O-NE2 3.49Å; D519-Q523 VanDerWaalsContact O-NE2 3.12Å; P520-Q523 VanDerWaalsContact O-CG 3.31Å; P520-Q523 WeakPolarHBondContact O-CG 3.49Å; Q523-L525 VanDerWaalsContact C-N 3.28Å; Q523-L525 PolarHBondContact O-N 3.08Å; Q523-L526 PolarHBondContact O-N 3.27Å; Q523-K527 WeakPolarHBondContact O-CB 3.48Å; Q523-K527 PolarHBondContact O-N 3.34Å
524	G	93.9	Very high	95.1	Very high	31 Å²	31	42.1 Å²	42.1	32%	0.32	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-39.7	172.1	0	0	0	0	0	112.6	G493 L522 N528	G493-G524 CarbonylContact O-C 3.55Å; G493-G524 VanDerWaalsContact O-O 3.1Å; L522-G524 PolarHBondContact O-N 2.79Å; L522-G524 VanDerWaalsContact O-N 3.15Å; G524-N528 WeakPolarHBondContact O-CB 3.35Å; G524-N528 PolarHBondContact O-N 3.5Å; G524-N528 PolarHBondContact O-ND2 3.02Å
525	L	96.2	Very high	95.2	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-44.7	178.7	-173.8	63.2	0	0	0	112	L484 V492 V497 W499 A516 L522 Q523 T529	L484-L525 HydrophobicContact CD2-CD2 3.48Å; L484-L525 VanDerWaalsContact CD2-CD2 3.48Å; V492-L525 HydrophobicContact CG1-CD1 3.76Å; V497-L525 HydrophobicContact CG2-CD1 4.34Å; W499-L525 HydrophobicContact CH2-CD1 4.29Å; W499-L525 HydrophobicContact CH2-CD2 4.32Å; W499-L525 HydrophobicContact CZ2-CD1 3.72Å; W499-L525 HydrophobicContact CZ2-CD2 4.12Å; W499-L525 HydrophobicContact CZ2-CG 4.08Å; A516-L525 HydrophobicContact CB-CD2 4.28Å; L522-L525 WeakPolarHBondContact O-CA 3.01Å; L522-L525 WeakPolarHBondContact O-CB 3.19Å; L522-L525 PolarHBondContact O-N 3.06Å; Q523-L525 VanDerWaalsContact C-N 3.28Å; Q523-L525 PolarHBondContact O-N 3.08Å; L525-T529 WeakPolarHBondContact O-CB 3.21Å; L525-T529 PolarHBondContact O-N 3.15Å; L525-T529 PolarHBondContact O-OG1 3Å
526	L	94.6	Very high	95.2	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-55.3	176.6	-76.8	-176.4	0	0	0	111.4	L513 A516 A517 L522 Q523 N528 T529 I581	L513-L526 HydrophobicContact CB-CD2 3.96Å; L513-L526 HydrophobicContact CD2-CD2 3.8Å; L513-L526 HydrophobicContact CG-CD2 4.47Å; L513-L526 WeakPolarHBondContact O-CD2 2.93Å; A516-L526 HydrophobicContact CB-CD2 4.44Å; A516-L526 HydrophobicContact CB-CG 4.15Å; A517-L526 HydrophobicContact CB-CD1 3.68Å; L522-L526 PolarHBondContact O-N 2.99Å; Q523-L526 PolarHBondContact O-N 3.27Å; L526-N528 PolarHBondContact O-N 3.41Å; L526-T529 PolarHBondContact O-N 3.13Å; L526-I581 HydrophobicContact CD2-CG2 3.87Å
527	K	94.9	Very high	95.1	Very high	148 Å²	148	38.9 Å²	38.9	64%	0.643	22%	0.215	S	C	*	.	H	α-helix	trans	-56.8	-37.7	-179.1	-179.6	178.4	177.6	-179.2	0	112	Q523 K530	Q523-K527 WeakPolarHBondContact O-CB 3.48Å; Q523-K527 PolarHBondContact O-N 3.34Å; K527-K530 PolarHBondContact O-NZ 3.13Å
528	N	96.7	Very high	95	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-89.5	-5.9	-178.4	-74.2	-38.7	0	0	0	114.1	G493 R495 P496 V497 G524 L526 K530	G493-N528 PolarHBondContact O-ND2 2.6Å; R495-N528 WeakPolarHBondContact O-CB 3.42Å; P496-N528 CarbonylContact C-O 3.56Å; P496-N528 WeakPolarHBondContact CA-O 3.26Å; V497-N528 PolarHBondContact N-O 3.35Å; G524-N528 WeakPolarHBondContact O-CB 3.35Å; G524-N528 PolarHBondContact O-N 3.5Å; G524-N528 PolarHBondContact O-ND2 3.02Å; L526-N528 PolarHBondContact O-N 3.41Å; N528-K530 WeakPolarHBondContact O-CG 3.33Å; N528-K530 PolarHBondContact O-N 3.23Å
529	T	98	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.8	172	-67.9	0	0	0	0	109.8	W499 L513 L525 L526 I532 I587	W499-T529 VanDerWaalsContact CD1-CG2 3.5Å; W499-T529 VanDerWaalsContact NE1-CG2 3.34Å; W499-T529 PolarHBondContact NE1-OG1 3.45Å; L513-T529 HydrophobicContact CD2-CG2 4.41Å; L525-T529 WeakPolarHBondContact O-CB 3.21Å; L525-T529 PolarHBondContact O-N 3.15Å; L525-T529 PolarHBondContact O-OG1 3Å; L526-T529 PolarHBondContact O-N 3.13Å; T529-I532 HydrophobicContact CG2-CD1 4.18Å; T529-I532 HydrophobicContact CG2-CG1 4.13Å; T529-I587 HydrophobicContact CG2-CD1 3.78Å; T529-I587 HydrophobicContact CG2-CG1 4.28Å; T529-I587 HydrophobicContact CG2-CG2 4.16Å
530	K	97.8	Very high	94.7	Very high	38 Å²	38	31.6 Å²	31.6	17%	0.165	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-27.2	-174	-56.4	-46.5	-175.6	-175.4	0	113.8	P496 V497 K527 N528 K588 F656	P496-K530 HydrophobicContact CB-CG 3.94Å; V497-K530 PolarHBondContact O-N 3.4Å; K527-K530 PolarHBondContact O-NZ 3.13Å; N528-K530 WeakPolarHBondContact O-CG 3.33Å; N528-K530 PolarHBondContact O-N 3.23Å; K530-K588 PolarHBondContact O-N 3.3Å; K530-K588 VanDerWaalsContact O-N 3.09Å; K530-F656 HydrophobicContact CB-CD2 4.5Å; K530-F656 HydrophobicContact CB-CE2 4.05Å; K530-F656 HydrophobicContact CD-CD2 4.34Å; K530-F656 HydrophobicContact CD-CE1 4.22Å; K530-F656 HydrophobicContact CD-CE2 3.64Å; K530-F656 HydrophobicContact CD-CZ 3.58Å; K530-F656 VanDerWaalsContact CE-CZ 3.45Å; K530-F656 HydrophobicContact CG-CD2 3.87Å; K530-F656 HydrophobicContact CG-CE2 3.54Å; K530-F656 HydrophobicContact CG-CZ 4.02Å
531	G	98	Very high	94.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.5	-178.6	0	0	0	0	0	112.3	V498 W499 K588	V498-G531 CarbonylContact C-O 3.57Å; V498-G531 VanDerWaalsContact CA-O 3.3Å; V498-G531 WeakPolarHBondContact CA-O 3.34Å; W499-G531 PolarHBondContact N-O 2.81Å; G531-K588 CarbonylContact C-O 3.55Å; G531-K588 VanDerWaalsContact CA-O 3.23Å; G531-K588 WeakPolarHBondContact CA-O 3.22Å
532	I	98.6	Very high	93.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.9	173.4	-55.8	172.5	0	0	0	109.1	W499 V509 L513 T529 F534 F578 I587 K588 V589 L590 F648	W499-I532 HydrophobicContact CB-CB 4.4Å; W499-I532 HydrophobicContact CB-CG1 4.06Å; W499-I532 HydrophobicContact CB-CG2 4.09Å; W499-I532 HydrophobicContact CG-CG1 4.21Å; W499-I532 CarbonylContact O-C 3.57Å; W499-I532 WeakPolarHBondContact O-CA 3.48Å; V509-I532 HydrophobicContact CG1-CD1 4.33Å; L513-I532 HydrophobicContact CD1-CD1 3.6Å; T529-I532 HydrophobicContact CG2-CD1 4.18Å; T529-I532 HydrophobicContact CG2-CG1 4.13Å; I532-F534 HydrophobicContact CB-CE2 4.42Å; I532-F534 HydrophobicContact CB-CZ 4.3Å; I532-F534 HydrophobicContact CG2-CD1 3.83Å; I532-F534 HydrophobicContact CG2-CD2 4.19Å; I532-F534 HydrophobicContact CG2-CE1 3.36Å; I532-F534 HydrophobicContact CG2-CE2 3.72Å; I532-F534 HydrophobicContact CG2-CG 4.26Å; I532-F534 HydrophobicContact CG2-CZ 3.3Å; I532-F578 HydrophobicContact CD1-CE2 3.53Å; I532-F578 HydrophobicContact CD1-CZ 3.67Å; I532-I587 HydrophobicContact CD1-CG2 3.87Å; I532-I587 HydrophobicContact CG1-CG2 3.81Å; I532-K588 PolarHBondContact N-O 2.92Å; I532-V589 WeakPolarHBondContact O-CA 3.26Å; I532-L590 PolarHBondContact O-N 3.4Å; I532-L590 VanDerWaalsContact O-N 3.07Å; I532-F648 WeakPolarHBondContact O-CZ 3.12Å
533	M	98.5	Very high	91.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.8	175	-171.2	169.8	62.8	0	0	109.6	W499 V500 A501 Y535 L590 F592 F648	W499-M533 PolarHBondContact O-N 3.01Å; V500-M533 HydrophobicContact CB-CE 4.11Å; V500-M533 HydrophobicContact CG1-CE 3.4Å; V500-M533 HydrophobicContact CG2-CB 4.47Å; V500-M533 HydrophobicContact CG2-CE 3.66Å; A501-M533 PolarHBondContact N-O 2.64Å; M533-Y535 HydrophobicContact CE-CE2 3.64Å; M533-Y535 VanDerWaalsContact CE-OH 3.25Å; M533-Y535 WeakPolarHBondContact CE-OH 3.33Å; M533-Y535 HydrophobicContact CG-CE2 4.47Å; M533-Y535 HydrophobicContact SD-CE2 4.45Å; M533-L590 CarbonylContact C-O 3.48Å; M533-L590 VanDerWaalsContact CA-O 3.29Å; M533-L590 WeakPolarHBondContact CA-O 3.44Å; M533-L590 HydrophobicContact CG-CB 4.46Å; M533-L590 HydrophobicContact CG-CD2 4.31Å; M533-L590 HydrophobicContact CG-CG 4.44Å; M533-L590 HydrophobicContact SD-CD2 4.14Å; M533-F592 HydrophobicContact CG-CD2 4.25Å; M533-F592 HydrophobicContact CG-CE2 3.97Å; M533-F592 HydrophobicContact SD-CD2 4.5Å; M533-F592 HydrophobicContact SD-CE2 3.73Å; M533-F648 HydrophobicContact CB-CD1 4.1Å; M533-F648 HydrophobicContact CB-CE1 3.96Å; M533-F648 HydrophobicContact SD-CD1 4.37Å
534	F	98.4	Very high	89.8	Confident	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.7	-177.8	-67.3	-53.8	0	0	0	110.9	A501 K510 I532 V537 H539 F578 V589 L590 S591 F592 L616	A501-F534 HydrophobicContact CB-CD1 4.32Å; A501-F534 WeakPolarHBondContact O-CA 3.28Å; K510-F534 HydrophobicContact CG-CZ 4.46Å; I532-F534 HydrophobicContact CB-CE2 4.42Å; I532-F534 HydrophobicContact CB-CZ 4.3Å; I532-F534 HydrophobicContact CG2-CD1 3.83Å; I532-F534 HydrophobicContact CG2-CD2 4.19Å; I532-F534 HydrophobicContact CG2-CE1 3.36Å; I532-F534 HydrophobicContact CG2-CE2 3.72Å; I532-F534 HydrophobicContact CG2-CG 4.26Å; I532-F534 HydrophobicContact CG2-CZ 3.3Å; F534-V537 HydrophobicContact CB-CB 4.14Å; F534-V537 HydrophobicContact CB-CG2 3.65Å; F534-V537 HydrophobicContact CD1-CB 4.31Å; F534-V537 HydrophobicContact CD1-CG1 4.48Å; F534-V537 HydrophobicContact CD1-CG2 3.68Å; F534-V537 HydrophobicContact CG-CB 4.39Å; F534-V537 HydrophobicContact CG-CG2 4Å; F534-H539 AromaticContact CD2-CE1 3.6Å; F534-H539 AromaticContact CD2-NE2 3.61Å; F534-H539 AromaticContact CE2-CE1 3.74Å; F534-H539 AromaticContact CG-CE1 3.8Å; F534-H539 AromaticContact CG-NE2 3.98Å; F534-F578 HydrophobicContact CE2-CE1 4.13Å; F534-F578 HydrophobicContact CE2-CZ 4.13Å; F534-F578 HydrophobicContact CZ-CE1 4.15Å; F534-F578 AromaticContact CZ-CZ 3.93Å; F534-F578 HydrophobicContact CZ-CZ 3.93Å; F534-V589 HydrophobicContact CD2-CG1 3.77Å; F534-V589 HydrophobicContact CE2-CG1 3.86Å; F534-L590 PolarHBondContact N-O 3.43Å; F534-S591 CarbonylContact O-C 3.52Å; F534-S591 WeakPolarHBondContact O-CA 3.39Å; F534-F592 PolarHBondContact O-N 3.17Å; F534-L616 HydrophobicContact CE2-CD2 4.07Å
535	Y	97.7	Very high	87.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.7	170.3	-66.9	-77.5	0	0	0	110.6	W413 V500 A501 H502 S503 M533 V537 F592 I631 C632 L641 S645	W413-Y535 HydrophobicContact CH2-CD2 4.48Å; W413-Y535 HydrophobicContact CZ3-CD2 4.07Å; W413-Y535 HydrophobicContact CZ3-CE2 4.09Å; V500-Y535 HydrophobicContact CG1-CD2 4.15Å; V500-Y535 HydrophobicContact CG1-CE2 3.61Å; A501-Y535 PolarHBondContact O-N 3.26Å; H502-Y535 WeakPolarHBondContact CA-O 3.36Å; H502-Y535 PolarHBondContact CD2-O 2.94Å; S503-Y535 PolarHBondContact N-O 3.19Å; M533-Y535 HydrophobicContact CE-CE2 3.64Å; M533-Y535 VanDerWaalsContact CE-OH 3.25Å; M533-Y535 WeakPolarHBondContact CE-OH 3.33Å; M533-Y535 HydrophobicContact CG-CE2 4.47Å; M533-Y535 HydrophobicContact SD-CE2 4.45Å; Y535-V537 PolarHBondContact O-N 3.45Å; Y535-V537 VanDerWaalsContact O-N 3.16Å; Y535-F592 HydrophobicContact CD1-CB 3.79Å; Y535-F592 AromaticContact CD1-CD2 3.5Å; Y535-F592 HydrophobicContact CD1-CD2 3.5Å; Y535-F592 VanDerWaalsContact CD1-CD2 3.5Å; Y535-F592 HydrophobicContact CD1-CE2 4.34Å; Y535-F592 AromaticContact CD1-CG 3.9Å; Y535-F592 HydrophobicContact CD1-CG 3.9Å; Y535-F592 HydrophobicContact CE1-CB 4.32Å; Y535-F592 AromaticContact CE1-CD2 3.27Å; Y535-F592 HydrophobicContact CE1-CD2 3.27Å; Y535-F592 AromaticContact CE1-CE2 3.66Å; Y535-F592 HydrophobicContact CE1-CE2 3.66Å; Y535-F592 AromaticContact CE1-CG 3.92Å; Y535-F592 HydrophobicContact CE1-CG 3.92Å; Y535-F592 HydrophobicContact CG-CD2 4.4Å; Y535-I631 HydrophobicContact CD1-CG1 4.17Å; Y535-I631 VanDerWaalsContact CD1-O 3.27Å; Y535-I631 WeakPolarHBondContact CD1-O 3.14Å; Y535-I631 WeakPolarHBondContact CE1-O 3.26Å; Y535-C632 HydrophobicContact CD1-CB 4.39Å; Y535-C632 HydrophobicContact CD2-CB 4.02Å; Y535-C632 HydrophobicContact CE2-CB 4.35Å; Y535-C632 HydrophobicContact CG-CB 4.02Å; Y535-L641 HydrophobicContact CE1-CD2 4.31Å; Y535-S645 PolarHBondContact OH-OG 3.25Å
536	S	94.8	Very high	85.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	43.3	48.5	179.1	-68.3	0	0	0	0	112.8	S503 F592 E594 V609 H628	S503-S536 WeakPolarHBondContact CA-O 3.19Å; S536-F592 PolarHBondContact N-O 3.03Å; S536-E594 VanDerWaalsContact CB-OE2 3.31Å; S536-E594 WeakPolarHBondContact CB-OE2 3.18Å; S536-E594 PolarHBondContact OG-N 2.95Å; S536-E594 PolarHBondContact OG-OE2 2.91Å; S536-V609 WeakPolarHBondContact O-CG2 3.3Å; S536-H628 VanDerWaalsContact CB-ND1 3.33Å; S536-H628 WeakPolarHBondContact CB-ND1 3.44Å
537	V	94.3	Very high	83.8	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.166	C	C	.	.			trans	-86	122.9	179.8	178.2	0	0	0	0	109	S503 L507 F534 Y535 H539 A614	S503-V537 WeakPolarHBondContact O-CG1 3.35Å; S503-V537 WeakPolarHBondContact O-CG2 3Å; L507-V537 HydrophobicContact CD2-CG1 3.98Å; L507-V537 HydrophobicContact CG-CG1 4.2Å; F534-V537 HydrophobicContact CB-CB 4.14Å; F534-V537 HydrophobicContact CB-CG2 3.65Å; F534-V537 HydrophobicContact CD1-CB 4.31Å; F534-V537 HydrophobicContact CD1-CG1 4.48Å; F534-V537 HydrophobicContact CD1-CG2 3.68Å; F534-V537 HydrophobicContact CG-CB 4.39Å; F534-V537 HydrophobicContact CG-CG2 4Å; Y535-V537 PolarHBondContact O-N 3.45Å; Y535-V537 VanDerWaalsContact O-N 3.16Å; V537-H539 VanDerWaalsContact C-N 3.25Å; V537-H539 WeakPolarHBondContact CG1-CE1 3.27Å; V537-H539 WeakPolarHBondContact CG1-ND1 3.48Å; V537-H539 PolarHBondContact O-N 2.88Å; V537-A614 WeakPolarHBondContact O-CA 3.45Å
538	P	91.6	Very high	81.9	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.013	16%	0.157	C	C	.	.			trans	-79.7	73.6	-177.7	33	-34.9	0	0	0	110.5	L507 H540 G541 T542 L564 V609 S613	L507-P538 HydrophobicContact CD1-CG 4.32Å; P538-H540 VanDerWaalsContact C-N 3.31Å; P538-H540 PolarHBondContact O-N 3.33Å; P538-G541 PolarHBondContact O-N 3.37Å; P538-T542 HydrophobicContact CB-CG2 3.56Å; P538-T542 HydrophobicContact CG-CG2 4.28Å; P538-L564 HydrophobicContact CG-CD2 4.07Å; P538-V609 HydrophobicContact CB-CG1 3.95Å; P538-V609 HydrophobicContact CB-CG2 3.99Å; P538-V609 HydrophobicContact CG-CG2 4.34Å; P538-S613 WeakPolarHBondContact CA-OG 3.4Å
539	H	91	Very high	79.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-49	-178.4	-62.3	-45.5	0	0	0	110.5	K510 F534 V537 G541 L571 N575 S613 A614 L616	K510-H539 WeakPolarHBondContact CE-ND1 3.41Å; K510-H539 PolarHBondContact NZ-ND1 2.92Å; F534-H539 AromaticContact CD2-CE1 3.6Å; F534-H539 AromaticContact CD2-NE2 3.61Å; F534-H539 AromaticContact CE2-CE1 3.74Å; F534-H539 AromaticContact CG-CE1 3.8Å; F534-H539 AromaticContact CG-NE2 3.98Å; V537-H539 VanDerWaalsContact C-N 3.25Å; V537-H539 WeakPolarHBondContact CG1-CE1 3.27Å; V537-H539 WeakPolarHBondContact CG1-ND1 3.48Å; V537-H539 PolarHBondContact O-N 2.88Å; H539-G541 VanDerWaalsContact C-N 3.27Å; H539-G541 PolarHBondContact O-N 2.78Å; H539-L571 WeakPolarHBondContact O-CD2 3.17Å; H539-L571 WeakPolarHBondContact O-CG 3.38Å; H539-N575 PolarHBondContact O-ND2 3.31Å; H539-S613 WeakPolarHBondContact CB-O 3.43Å; H539-S613 PolarHBondContact N-O 3.05Å; H539-A614 PolarHBondContact CD2-O 3.14Å; H539-A614 VanDerWaalsContact CD2-O 3.31Å; H539-L616 HydrophobicContact CB-CD1 4.35Å
540	H	85.8	Confident	77.6	Confident	78 Å²	78	37.9 Å²	37.9	36%	0.361	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	11.2	179.6	-58.2	101.1	0	0	0	113.9	P538 K566 Q612 S613 D615	P538-H540 VanDerWaalsContact C-N 3.31Å; P538-H540 PolarHBondContact O-N 3.33Å; H540-K566 WeakPolarHBondContact O-CG 3.18Å; H540-Q612 PolarHBondContact ND1-O 3.08Å; H540-S613 PolarHBondContact N-O 3.43Å; H540-S613 PolarHBondContact N-OG 3.29Å; H540-D615 PolarHBondContact CE1-O 3.17Å; H540-D615 PolarHBondContact ND1-O 3.19Å
541	G	78.4	Confident	75.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.01	21%	0.206	C	C	.	.			trans	78.8	171.9	-175.9	0	0	0	0	0	112.2	P538 H539 L571 S613	P538-G541 PolarHBondContact O-N 3.37Å; H539-G541 VanDerWaalsContact C-N 3.27Å; H539-G541 PolarHBondContact O-N 2.78Å; G541-L571 VanDerWaalsContact CA-CD2 3.49Å; G541-L571 VanDerWaalsContact N-CD2 3.28Å; G541-S613 PolarHBondContact N-OG 3.12Å; G541-S613 VanDerWaalsContact O-CB 3.28Å; G541-S613 WeakPolarHBondContact O-CB 3.49Å; G541-S613 PolarHBondContact O-OG 3.32Å
542	T	72.1	Confident	73.7	Confident	8 Å²	8	42.4 Å²	42.4	5%	0.049	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-105.1	150	179	65.2	0	0	0	0	110.1	P538 M544 L564 K566 V608 V609	P538-T542 HydrophobicContact CB-CG2 3.56Å; P538-T542 HydrophobicContact CG-CG2 4.28Å; T542-M544 PolarHBondContact O-N 3.45Å; T542-L564 PolarHBondContact N-O 3.31Å; T542-K566 WeakPolarHBondContact O-CB 3.37Å; T542-K566 PolarHBondContact O-N 2.86Å; T542-V608 WeakPolarHBondContact CG2-O 3.36Å; T542-V609 HydrophobicContact CG2-CG2 4.13Å
543	F	61.5	Low	71.6	Confident	57 Å²	57	49.8 Å²	49.8	25%	0.25	26%	0.256	C	S	.	.			trans	-71.4	77	-177.6	-72.7	-102.1	0	0	0	111.2	A545 E546 Y547 K566 P610	F543-A545 VanDerWaalsContact C-N 3.25Å; F543-A545 PolarHBondContact O-N 3.43Å; F543-E546 HydrophobicContact CB-CG 4.39Å; F543-E546 VanDerWaalsContact CD1-OE1 3.27Å; F543-E546 WeakPolarHBondContact CD1-OE1 3.34Å; F543-Y547 WeakPolarHBondContact O-CD2 3.25Å; F543-Y547 WeakPolarHBondContact O-CE2 3.29Å; F543-K566 HydrophobicContact CD1-CD 3.7Å; F543-K566 HydrophobicContact CD2-CD 4.22Å; F543-K566 HydrophobicContact CE1-CD 3.68Å; F543-K566 HydrophobicContact CE2-CD 4.18Å; F543-K566 HydrophobicContact CG-CD 4.01Å; F543-K566 HydrophobicContact CZ-CD 3.93Å; F543-P610 HydrophobicContact CD2-CG 4.01Å; F543-P610 HydrophobicContact CE2-CG 4.33Å
544	M	52.7	Low	69.5	Low	17 Å²	17	54.5 Å²	54.5	8%	0.084	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.5	-179.1	-68.8	-176.3	-175	0	0	114.3	T542 V561 L564 C565	T542-M544 PolarHBondContact O-N 3.45Å; M544-V561 HydrophobicContact CE-CB 4.42Å; M544-V561 HydrophobicContact CE-CG1 3.1Å; M544-V561 WeakPolarHBondContact CE-O 3.31Å; M544-V561 HydrophobicContact SD-CG1 3.84Å; M544-V561 VanDerWaalsContact SD-O 3.35Å; M544-L564 HydrophobicContact CE-CB 3.56Å; M544-L564 WeakPolarHBondContact CE-O 3.31Å; M544-C565 HydrophobicContact SD-CB 4.43Å; M544-C565 VanDerWaalsContact SD-SG 3.64Å
545	A	45.9	Very low	67.2	Low	99 Å²	99	56 Å²	56	82%	0.818	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.5	-177	0	0	0	0	0	113.4	F543	F543-A545 VanDerWaalsContact C-N 3.25Å; F543-A545 PolarHBondContact O-N 3.43Å
546	E	53.5	Low	65.2	Low	150 Å²	150	57.9 Å²	57.9	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-17.2	-177.6	-66.4	178.6	-171.1	0	0	112.7	F543	F543-E546 HydrophobicContact CB-CG 4.39Å; F543-E546 VanDerWaalsContact CD1-OE1 3.27Å; F543-E546 WeakPolarHBondContact CD1-OE1 3.34Å
547	Y	59.6	Low	62.8	Low	50 Å²	50	62 Å²	62	20%	0.196	32%	0.324	C	S	.	.	S	Bend	trans	-78.5	142.3	173.6	-60.5	-61.1	0	0	0	111.3	F543 V551 V606 V607	F543-Y547 WeakPolarHBondContact O-CD2 3.25Å; F543-Y547 WeakPolarHBondContact O-CE2 3.29Å; Y547-V551 HydrophobicContact CD1-CG1 3.96Å; Y547-V551 HydrophobicContact CG-CG1 4.03Å; Y547-V606 HydrophobicContact CD1-CG1 4.32Å; Y547-V606 HydrophobicContact CD1-CG2 4.22Å; Y547-V606 HydrophobicContact CE1-CB 4.21Å; Y547-V606 HydrophobicContact CE1-CG1 3.29Å; Y547-V606 HydrophobicContact CE1-CG2 3.81Å; Y547-V606 HydrophobicContact CE2-CG1 4.46Å; Y547-V606 WeakPolarHBondContact OH-CG1 3.04Å; Y547-V607 PolarHBondContact OH-O 2.87Å
548	S	54.3	Low	60.8	Low	66 Å²	66	62.6 Å²	62.6	46%	0.462	33%	0.328	S	S	.	.			trans	-57.9	151	173.1	73.3	0	0	0	0	110.6	N550 V551 R552	S548-N550 PolarHBondContact O-N 3Å; S548-N550 VanDerWaalsContact O-N 3.11Å; S548-V551 PolarHBondContact O-N 3.4Å; S548-V551 WeakPolarHBondContact OG-CG2 3.35Å; S548-V551 PolarHBondContact OG-N 2.92Å; S548-R552 PolarHBondContact O-N 2.96Å
549	V	54.7	Low	58.9	Low	94 Å²	94	64.6 Å²	64.6	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-50.5	-40.2	179	175.9	0	0	0	0	111.3	R552 Y553	V549-R552 PolarHBondContact O-N 3.11Å; V549-Y553 HydrophobicContact CG1-CD2 3.63Å; V549-Y553 HydrophobicContact CG1-CE2 3.48Å; V549-Y553 VanDerWaalsContact CG1-CE2 3.48Å; V549-Y553 WeakPolarHBondContact O-CD2 3.36Å; V549-Y553 PolarHBondContact O-N 2.93Å
550	N	51.4	Low	57.1	Low	132 Å²	132	65.1 Å²	65.1	71%	0.706	34%	0.341	S	S	*	.	H	α-helix	trans	-67.4	-41.9	178.2	-64.6	-12.4	0	0	0	112.8	S548 R552 Y553 L554	S548-N550 PolarHBondContact O-N 3Å; S548-N550 VanDerWaalsContact O-N 3.11Å; N550-R552 VanDerWaalsContact C-N 3.31Å; N550-Y553 PolarHBondContact O-N 3.4Å; N550-L554 VanDerWaalsContact O-CB 3.26Å; N550-L554 WeakPolarHBondContact O-CB 3.32Å; N550-L554 PolarHBondContact O-N 2.93Å
551	V	55.6	Low	55.6	Low	16 Å²	16	61.8 Å²	61.8	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-38.2	175.4	171.8	0	0	0	0	110.2	Y547 S548 L554 L555 I604 V606	Y547-V551 HydrophobicContact CD1-CG1 3.96Å; Y547-V551 HydrophobicContact CG-CG1 4.03Å; S548-V551 PolarHBondContact O-N 3.4Å; S548-V551 WeakPolarHBondContact OG-CG2 3.35Å; S548-V551 PolarHBondContact OG-N 2.92Å; V551-L554 PolarHBondContact O-N 3.05Å; V551-L555 HydrophobicContact CG1-CD1 3.56Å; V551-L555 HydrophobicContact CG1-CG 4.36Å; V551-L555 VanDerWaalsContact O-CB 3.25Å; V551-L555 WeakPolarHBondContact O-CB 3.41Å; V551-L555 WeakPolarHBondContact O-CG 3.48Å; V551-L555 PolarHBondContact O-N 3.42Å; V551-I604 HydrophobicContact CG1-CG2 4.48Å; V551-I604 HydrophobicContact CG2-CD1 4.01Å; V551-I604 HydrophobicContact CG2-CG2 4.18Å; V551-V606 HydrophobicContact CG1-CG2 4.49Å
552	R	56.7	Low	54.4	Low	117 Å²	117	71.1 Å²	71.1	44%	0.442	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-45.6	176.5	-157.2	175.2	97.1	-169.3	7	112	S548 V549 N550 F556	S548-R552 PolarHBondContact O-N 2.96Å; V549-R552 PolarHBondContact O-N 3.11Å; N550-R552 VanDerWaalsContact C-N 3.31Å; R552-F556 WeakPolarHBondContact O-CA 3.26Å; R552-F556 VanDerWaalsContact O-CB 3.25Å; R552-F556 WeakPolarHBondContact O-CB 3.33Å; R552-F556 PolarHBondContact O-N 3.15Å
553	Y	55.8	Low	53.7	Low	156 Å²	156	74.1 Å²	74.1	61%	0.612	37%	0.374	S	S	*	.	H	α-helix	trans	-69.8	-34.1	176.8	-79.7	-68.5	0	0	0	113.3	V549 N550	V549-Y553 HydrophobicContact CG1-CD2 3.63Å; V549-Y553 HydrophobicContact CG1-CE2 3.48Å; V549-Y553 VanDerWaalsContact CG1-CE2 3.48Å; V549-Y553 WeakPolarHBondContact O-CD2 3.36Å; V549-Y553 PolarHBondContact O-N 2.93Å; N550-Y553 PolarHBondContact O-N 3.4Å
554	L	53.6	Low	53.5	Low	98 Å²	98	72.2 Å²	72.2	51%	0.513	37%	0.366	S	S	.	.	H	α-helix	trans	-68.5	-44.9	177.7	179.6	66.9	0	0	0	112	N550 V551 I600 I604	N550-L554 VanDerWaalsContact O-CB 3.26Å; N550-L554 WeakPolarHBondContact O-CB 3.32Å; N550-L554 PolarHBondContact O-N 2.93Å; V551-L554 PolarHBondContact O-N 3.05Å; L554-I600 HydrophobicContact CD2-CG2 4.16Å; L554-I600 HydrophobicContact CG-CG2 4.5Å; L554-I604 HydrophobicContact CD2-CD1 3.97Å
555	L	50.8	Low	54	Low	32 Å²	32	73.8 Å²	73.8	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-78.1	-32.3	-177.2	-81.5	172.1	0	0	0	112.9	V551 I600	V551-L555 HydrophobicContact CG1-CD1 3.56Å; V551-L555 HydrophobicContact CG1-CG 4.36Å; V551-L555 VanDerWaalsContact O-CB 3.25Å; V551-L555 WeakPolarHBondContact O-CB 3.41Å; V551-L555 WeakPolarHBondContact O-CG 3.48Å; V551-L555 PolarHBondContact O-N 3.42Å; L555-I600 HydrophobicContact CD1-CG1 4.49Å; L555-I600 HydrophobicContact CD2-CB 4.02Å; L555-I600 HydrophobicContact CD2-CD1 3.54Å; L555-I600 HydrophobicContact CD2-CG1 3.64Å; L555-I600 HydrophobicContact CD2-CG2 3.22Å; L555-I600 HydrophobicContact CG-CG1 4.45Å; L555-I600 HydrophobicContact CG-CG2 3.75Å
556	F	55.5	Low	54.7	Low	41 Å²	41	72.9 Å²	72.9	18%	0.18	36%	0.356	C	S	.	.			trans	-143.3	59.3	-155.8	-53.7	-53.8	0	0	0	114.1	R552 S558 V561	R552-F556 WeakPolarHBondContact O-CA 3.26Å; R552-F556 VanDerWaalsContact O-CB 3.25Å; R552-F556 WeakPolarHBondContact O-CB 3.33Å; R552-F556 PolarHBondContact O-N 3.15Å; F556-S558 VanDerWaalsContact C-N 3.27Å; F556-S558 PolarHBondContact O-N 3.44Å; F556-V561 HydrophobicContact CB-CB 3.7Å; F556-V561 HydrophobicContact CB-CG1 3.42Å; F556-V561 VanDerWaalsContact CB-CG1 3.42Å; F556-V561 HydrophobicContact CB-CG2 3.68Å; F556-V561 HydrophobicContact CD1-CB 4.24Å; F556-V561 HydrophobicContact CD1-CG1 3.58Å; F556-V561 HydrophobicContact CD1-CG2 3.72Å; F556-V561 HydrophobicContact CD2-CG1 4.14Å; F556-V561 HydrophobicContact CE1-CG1 4.35Å; F556-V561 HydrophobicContact CG-CB 4.19Å; F556-V561 HydrophobicContact CG-CG1 3.45Å; F556-V561 VanDerWaalsContact CG-CG1 3.45Å; F556-V561 HydrophobicContact CG-CG2 4.07Å
557	P	44.8	Very low	55.1	Low	85 Å²	85	69.8 Å²	69.8	55%	0.552	34%	0.344	S	S	*	.			trans	-76.1	-0.6	-176.1	30.7	-35.7	0	0	0	115.3	L460	L460-P557 HydrophobicContact CD1-CG 4.18Å
558	S	52.5	Low	55.8	Low	15 Å²	15	68.3 Å²	68.3	11%	0.105	34%	0.341	C	S	.	.	S	Bend	trans	-124.1	163.1	-166.1	58.9	0	0	0	0	115.1	F556 E560 V561	F556-S558 VanDerWaalsContact C-N 3.27Å; F556-S558 PolarHBondContact O-N 3.44Å; S558-E560 WeakPolarHBondContact CB-OE2 3.48Å; S558-E560 PolarHBondContact O-N 2.94Å; S558-E560 PolarHBondContact OG-OE2 3.1Å; S558-V561 PolarHBondContact O-N 3.25Å; S558-V561 VanDerWaalsContact O-N 3.08Å
559	I	51	Low	57	Low	45 Å²	45	69.7 Å²	69.7	23%	0.231	35%	0.349	C	S	.	.	H	α-helix	trans	-58.9	-30.1	-180	-65.9	169.3	0	0	0	112.1	N471 K474 V561 R562	N471-I559 HydrophobicContact CB-CD1 3.43Å; N471-I559 VanDerWaalsContact CB-CD1 3.43Å; N471-I559 WeakPolarHBondContact O-CD1 3.16Å; K474-I559 HydrophobicContact CB-CB 3.85Å; K474-I559 HydrophobicContact CB-CG2 4.18Å; K474-I559 HydrophobicContact CD-CB 4.23Å; K474-I559 HydrophobicContact CD-CD1 4.31Å; K474-I559 HydrophobicContact CD-CG1 4.47Å; I559-V561 PolarHBondContact O-N 2.83Å; I559-R562 PolarHBondContact O-N 3.15Å
560	E	53	Low	58.2	Low	11 Å²	11	71.4 Å²	71.4	5%	0.051	36%	0.355	C	S	.	.	H	α-helix	trans	-48.7	-29.6	173.5	-69.5	105.5	-144	0	0	113.1	I405 K474 R479 M504 S558 L564	I405-E560 HydrophobicContact CD1-CB 3.83Å; I405-E560 HydrophobicContact CD1-CG 4.32Å; K474-E560 VanDerWaalsContact CB-OE1 3.26Å; K474-E560 WeakPolarHBondContact CB-OE1 3.23Å; K474-E560 WeakPolarHBondContact CD-OE1 3.38Å; K474-E560 WeakPolarHBondContact CG-OE1 3.15Å; R479-E560 IonicContact CZ-OE1 3.32Å; R479-E560 VanDerWaalsContact NH2-CD 3.26Å; R479-E560 IonicContact NH2-OE1 2.71Å; R479-E560 PolarHBondContact NH2-OE1 3.1Å; M504-E560 HydrophobicContact SD-CB 4.28Å; M504-E560 HydrophobicContact SD-CG 4.41Å; S558-E560 WeakPolarHBondContact CB-OE2 3.48Å; S558-E560 PolarHBondContact O-N 2.94Å; S558-E560 PolarHBondContact OG-OE2 3.1Å; E560-L564 WeakPolarHBondContact O-CD1 3.49Å; E560-L564 WeakPolarHBondContact O-CG 3.33Å
561	V	53.5	Low	59.7	Low	7 Å²	7	65.4 Å²	65.4	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-96.8	-17.3	-174.1	-165.1	0	0	0	0	112.8	I405 M544 F556 S558 I559 E563 L564	I405-V561 HydrophobicContact CD1-CG2 4.24Å; M544-V561 HydrophobicContact CE-CB 4.42Å; M544-V561 HydrophobicContact CE-CG1 3.1Å; M544-V561 WeakPolarHBondContact CE-O 3.31Å; M544-V561 HydrophobicContact SD-CG1 3.84Å; M544-V561 VanDerWaalsContact SD-O 3.35Å; F556-V561 HydrophobicContact CB-CB 3.7Å; F556-V561 HydrophobicContact CB-CG1 3.42Å; F556-V561 VanDerWaalsContact CB-CG1 3.42Å; F556-V561 HydrophobicContact CB-CG2 3.68Å; F556-V561 HydrophobicContact CD1-CB 4.24Å; F556-V561 HydrophobicContact CD1-CG1 3.58Å; F556-V561 HydrophobicContact CD1-CG2 3.72Å; F556-V561 HydrophobicContact CD2-CG1 4.14Å; F556-V561 HydrophobicContact CE1-CG1 4.35Å; F556-V561 HydrophobicContact CG-CB 4.19Å; F556-V561 HydrophobicContact CG-CG1 3.45Å; F556-V561 VanDerWaalsContact CG-CG1 3.45Å; F556-V561 HydrophobicContact CG-CG2 4.07Å; S558-V561 PolarHBondContact O-N 3.25Å; S558-V561 VanDerWaalsContact O-N 3.08Å; I559-V561 PolarHBondContact O-N 2.83Å; V561-E563 VanDerWaalsContact C-N 3.31Å; V561-L564 PolarHBondContact O-N 3.33Å
562	R	53.8	Low	61.2	Low	198 Å²	198	70.8 Å²	70.8	75%	0.747	34%	0.341	S	S	*	.	H	α-helix	trans	-70.4	-30.1	170.5	-72.7	-179	64	-166.8	-1.8	112.2	I559 L564 C565	I559-R562 PolarHBondContact O-N 3.15Å; R562-L564 VanDerWaalsContact C-N 3.25Å; R562-L564 PolarHBondContact O-N 2.78Å; R562-C565 PolarHBondContact O-SG 2.98Å; R562-C565 VanDerWaalsContact O-SG 3.41Å
563	E	58	Low	62.8	Low	71 Å²	71	68.9 Å²	68.9	33%	0.332	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.6	174.5	-64.3	-178.2	162.4	0	0	112.6	S475 L476 V561	S475-E563 WeakPolarHBondContact CA-OE1 3.43Å; S475-E563 WeakPolarHBondContact CB-OE1 3.31Å; L476-E563 WeakPolarHBondContact CB-OE2 3.4Å; L476-E563 PolarHBondContact N-OE1 3.19Å; L476-E563 PolarHBondContact N-OE2 2.93Å; V561-E563 VanDerWaalsContact C-N 3.31Å
564	L	57.7	Low	64.5	Low	16 Å²	16	62 Å²	62	8%	0.084	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	3.9	-179.1	-70.9	172.3	0	0	0	113.7	M504 L507 P538 T542 M544 E560 V561 R562 K566	M504-L564 HydrophobicContact CG-CD1 4.37Å; L507-L564 HydrophobicContact CD1-CD2 3.21Å; P538-L564 HydrophobicContact CG-CD2 4.07Å; T542-L564 PolarHBondContact N-O 3.31Å; M544-L564 HydrophobicContact CE-CB 3.56Å; M544-L564 WeakPolarHBondContact CE-O 3.31Å; E560-L564 WeakPolarHBondContact O-CD1 3.49Å; E560-L564 WeakPolarHBondContact O-CG 3.33Å; V561-L564 PolarHBondContact O-N 3.33Å; R562-L564 VanDerWaalsContact C-N 3.25Å; R562-L564 PolarHBondContact O-N 2.78Å; L564-K566 PolarHBondContact O-N 3.4Å
565	C	62.4	Low	66.4	Low	50 Å²	50	57.9 Å²	57.9	34%	0.338	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-56.4	128.3	175.5	-75.9	0	0	0	0	110.5	M544 R562 D567 S568	M544-C565 HydrophobicContact SD-CB 4.43Å; M544-C565 VanDerWaalsContact SD-SG 3.64Å; R562-C565 PolarHBondContact O-SG 2.98Å; R562-C565 VanDerWaalsContact O-SG 3.41Å; C565-D567 PolarHBondContact O-N 2.83Å; C565-S568 WeakPolarHBondContact O-CB 3.16Å; C565-S568 PolarHBondContact O-N 3.33Å; C565-S568 PolarHBondContact O-OG 2.96Å
566	K	60.5	Low	68.5	Low	80 Å²	80	61.6 Å²	61.6	35%	0.348	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	136.6	174	-160.6	-164.9	171.8	-163.2	0	111.1	H540 T542 F543 L564 S568	H540-K566 WeakPolarHBondContact O-CG 3.18Å; T542-K566 WeakPolarHBondContact O-CB 3.37Å; T542-K566 PolarHBondContact O-N 2.86Å; F543-K566 HydrophobicContact CD1-CD 3.7Å; F543-K566 HydrophobicContact CD2-CD 4.22Å; F543-K566 HydrophobicContact CE1-CD 3.68Å; F543-K566 HydrophobicContact CE2-CD 4.18Å; F543-K566 HydrophobicContact CG-CD 4.01Å; F543-K566 HydrophobicContact CZ-CD 3.93Å; L564-K566 PolarHBondContact O-N 3.4Å; K566-S568 PolarHBondContact O-N 3.22Å; K566-S568 VanDerWaalsContact O-N 3.14Å
567	D	62.2	Low	70.4	Confident	86 Å²	86	60.5 Å²	60.5	46%	0.46	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	21.6	175.2	-58.4	-52.4	0	0	0	115.1	C565	C565-D567 PolarHBondContact O-N 2.83Å
568	S	73.6	Confident	72.9	Confident	19 Å²	19	56.4 Å²	56.4	13%	0.133	29%	0.288	C	S	.	.			trans	-61.5	141.7	171.2	71.8	0	0	0	0	110.5	C565 K566 D570 L571 R572	C565-S568 WeakPolarHBondContact O-CB 3.16Å; C565-S568 PolarHBondContact O-N 3.33Å; C565-S568 PolarHBondContact O-OG 2.96Å; K566-S568 PolarHBondContact O-N 3.22Å; K566-S568 VanDerWaalsContact O-N 3.14Å; S568-D570 PolarHBondContact O-N 2.61Å; S568-L571 PolarHBondContact O-N 3.37Å; S568-L571 WeakPolarHBondContact OG-CB 3.48Å; S568-L571 PolarHBondContact OG-N 3.27Å; S568-R572 PolarHBondContact O-N 3.36Å
569	P	79.2	Confident	75	Confident	94 Å²	94	57.6 Å²	57.6	61%	0.61	29%	0.293	S	S	*	.	H	α-helix	trans	-59.8	-36.2	-179.6	23.8	-33.2	0	0	0	111.6	R572 S573	P569-R572 PolarHBondContact O-N 2.97Å; P569-S573 WeakPolarHBondContact O-CB 3.25Å; P569-S573 PolarHBondContact O-N 2.81Å
570	D	80.2	Confident	77.1	Confident	130 Å²	130	59.8 Å²	59.8	70%	0.695	31%	0.305	S	S	*	.	H	α-helix	trans	-65.8	-43.1	178.7	-59.4	-36.9	0	0	0	111.9	S568 S573 L574	S568-D570 PolarHBondContact O-N 2.61Å; D570-S573 PolarHBondContact O-N 2.9Å; D570-L574 VanDerWaalsContact O-CB 3.29Å; D570-L574 WeakPolarHBondContact O-CB 3.45Å; D570-L574 PolarHBondContact O-N 2.75Å
571	L	83.8	Confident	79.2	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-69.4	-37.4	178	-174.6	60.8	0	0	0	111.9	L507 H539 G541 S568 L574 N575	L507-L571 HydrophobicContact CD1-CD1 3.84Å; L507-L571 HydrophobicContact CD2-CD1 3.83Å; L507-L571 HydrophobicContact CG-CD1 4.44Å; H539-L571 WeakPolarHBondContact O-CD2 3.17Å; H539-L571 WeakPolarHBondContact O-CG 3.38Å; G541-L571 VanDerWaalsContact CA-CD2 3.49Å; G541-L571 VanDerWaalsContact N-CD2 3.28Å; S568-L571 PolarHBondContact O-N 3.37Å; S568-L571 WeakPolarHBondContact OG-CB 3.48Å; S568-L571 PolarHBondContact OG-N 3.27Å; L571-L574 HydrophobicContact CD1-CD2 4.09Å; L571-L574 WeakPolarHBondContact O-CB 3.19Å; L571-L574 PolarHBondContact O-N 3.18Å; L571-N575 VanDerWaalsContact O-CG 3.26Å; L571-N575 PolarHBondContact O-N 2.65Å; L571-N575 PolarHBondContact O-ND2 2.97Å; L571-N575 VanDerWaalsContact O-ND2 3.11Å
572	R	87.3	Confident	81.2	Confident	128 Å²	128	59.5 Å²	59.5	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-50	173.8	-173	-178.8	-60.5	149.5	5.4	110.9	S568 P569 L574 N575 E576	S568-R572 PolarHBondContact O-N 3.36Å; P569-R572 PolarHBondContact O-N 2.97Å; R572-L574 VanDerWaalsContact C-N 3.3Å; R572-L574 PolarHBondContact O-N 3.42Å; R572-N575 PolarHBondContact O-N 2.76Å; R572-N575 VanDerWaalsContact O-N 3.15Å; R572-E576 HydrophobicContact CG-CG 4.41Å; R572-E576 WeakPolarHBondContact CG-OE1 3.2Å; R572-E576 WeakPolarHBondContact O-CG 3.49Å; R572-E576 PolarHBondContact O-N 3.05Å
573	S	90.3	Very high	83.2	Confident	77 Å²	77	56.6 Å²	56.6	54%	0.538	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-41.8	176.9	179.8	0	0	0	0	111.9	P569 D570 N575 E576 G577	P569-S573 WeakPolarHBondContact O-CB 3.25Å; P569-S573 PolarHBondContact O-N 2.81Å; D570-S573 PolarHBondContact O-N 2.9Å; S573-N575 PolarHBondContact O-N 2.88Å; S573-E576 PolarHBondContact O-N 2.03Å; S573-G577 PolarHBondContact O-N 3.24Å
574	L	91.5	Very high	84.9	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-46	174.7	-176.6	76.9	0	0	0	112.1	L476 L507 K510 K511 L514 D570 L571 R572 F578	L476-L574 HydrophobicContact CD2-CD2 3.88Å; L507-L574 HydrophobicContact CB-CD2 4.21Å; L507-L574 HydrophobicContact CD2-CD2 4.43Å; K510-L574 HydrophobicContact CB-CD1 4.22Å; K510-L574 HydrophobicContact CB-CD2 4.28Å; K510-L574 HydrophobicContact CB-CG 4.08Å; K511-L574 HydrophobicContact CB-CD1 3.81Å; K511-L574 HydrophobicContact CD-CD1 3.7Å; K511-L574 HydrophobicContact CG-CD1 4.37Å; L514-L574 HydrophobicContact CD1-CD1 3.56Å; L514-L574 HydrophobicContact CD1-CG 4.34Å; D570-L574 VanDerWaalsContact O-CB 3.29Å; D570-L574 WeakPolarHBondContact O-CB 3.45Å; D570-L574 PolarHBondContact O-N 2.75Å; L571-L574 HydrophobicContact CD1-CD2 4.09Å; L571-L574 WeakPolarHBondContact O-CB 3.19Å; L571-L574 PolarHBondContact O-N 3.18Å; R572-L574 VanDerWaalsContact C-N 3.3Å; R572-L574 PolarHBondContact O-N 3.42Å; L574-F578 VanDerWaalsContact O-CB 3.32Å; L574-F578 WeakPolarHBondContact O-CB 3.26Å; L574-F578 PolarHBondContact O-N 3.34Å
575	N	93	Very high	86.6	Confident	11 Å²	11	62 Å²	62	6%	0.059	32%	0.324	C	S	.	.	H	α-helix	trans	-68.9	-45.8	179.9	-69.6	-36	0	0	0	112.5	K510 H539 L571 R572 S573 F578 L579	K510-N575 PolarHBondContact NZ-OD1 3.46Å; H539-N575 PolarHBondContact O-ND2 3.31Å; L571-N575 VanDerWaalsContact O-CG 3.26Å; L571-N575 PolarHBondContact O-N 2.65Å; L571-N575 PolarHBondContact O-ND2 2.97Å; L571-N575 VanDerWaalsContact O-ND2 3.11Å; R572-N575 PolarHBondContact O-N 2.76Å; R572-N575 VanDerWaalsContact O-N 3.15Å; S573-N575 PolarHBondContact O-N 2.88Å; N575-F578 PolarHBondContact O-N 2.98Å; N575-L579 WeakPolarHBondContact O-CB 3.17Å; N575-L579 VanDerWaalsContact O-CG 3.29Å; N575-L579 WeakPolarHBondContact O-CG 3.42Å; N575-L579 PolarHBondContact O-N 3.2Å
576	E	94.4	Very high	88.1	Confident	109 Å²	109	67.9 Å²	67.9	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-47.6	178.7	-73.3	172.8	-178	0	0	110.8	R572 S573 F578 L579 N580	R572-E576 HydrophobicContact CG-CG 4.41Å; R572-E576 WeakPolarHBondContact CG-OE1 3.2Å; R572-E576 WeakPolarHBondContact O-CG 3.49Å; R572-E576 PolarHBondContact O-N 3.05Å; S573-E576 PolarHBondContact O-N 2.03Å; E576-F578 PolarHBondContact O-N 2.5Å; E576-L579 PolarHBondContact O-N 2.79Å; E576-N580 PolarHBondContact O-N 2.73Å; E576-N580 VanDerWaalsContact O-N 3.14Å
577	G	95.6	Very high	89.8	Confident	18 Å²	18	64.5 Å²	64.5	19%	0.186	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-45.1	176.1	0	0	0	0	0	112.5	S573 L579 N580 I581	S573-G577 PolarHBondContact O-N 3.24Å; G577-L579 PolarHBondContact O-N 3.33Å; G577-N580 PolarHBondContact O-N 3.48Å; G577-I581 PolarHBondContact O-N 3.1Å; G577-I581 VanDerWaalsContact O-N 3.13Å
578	F	96.6	Very high	91.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-40.8	176.8	170.1	-104	0	0	0	112.8	K510 L513 I532 F534 L574 N575 E576 N580 I581 A582 L616	K510-F578 HydrophobicContact CB-CB 4.05Å; K510-F578 HydrophobicContact CB-CD2 4.19Å; K510-F578 HydrophobicContact CB-CG 4.1Å; K510-F578 HydrophobicContact CD-CB 3.91Å; K510-F578 HydrophobicContact CD-CD1 3.74Å; K510-F578 HydrophobicContact CD-CD2 4.48Å; K510-F578 HydrophobicContact CD-CE1 4.4Å; K510-F578 HydrophobicContact CD-CG 3.77Å; K510-F578 HydrophobicContact CG-CB 3.96Å; K510-F578 HydrophobicContact CG-CD1 3.89Å; K510-F578 HydrophobicContact CG-CD2 3.8Å; K510-F578 HydrophobicContact CG-CE1 4.34Å; K510-F578 HydrophobicContact CG-CE2 4.29Å; K510-F578 HydrophobicContact CG-CG 3.58Å; L513-F578 HydrophobicContact CD1-CD2 4.07Å; L513-F578 HydrophobicContact CD1-CE2 3.72Å; I532-F578 HydrophobicContact CD1-CE2 3.53Å; I532-F578 HydrophobicContact CD1-CZ 3.67Å; F534-F578 HydrophobicContact CE2-CE1 4.13Å; F534-F578 HydrophobicContact CE2-CZ 4.13Å; F534-F578 HydrophobicContact CZ-CE1 4.15Å; F534-F578 AromaticContact CZ-CZ 3.93Å; F534-F578 HydrophobicContact CZ-CZ 3.93Å; L574-F578 VanDerWaalsContact O-CB 3.32Å; L574-F578 WeakPolarHBondContact O-CB 3.26Å; L574-F578 PolarHBondContact O-N 3.34Å; N575-F578 PolarHBondContact O-N 2.98Å; E576-F578 PolarHBondContact O-N 2.5Å; F578-N580 VanDerWaalsContact C-N 3.26Å; F578-N580 PolarHBondContact O-N 2.87Å; F578-I581 PolarHBondContact O-N 3.4Å; F578-A582 HydrophobicContact CE1-CB 4.41Å; F578-A582 HydrophobicContact CE2-CB 4.46Å; F578-A582 HydrophobicContact CZ-CB 4.22Å; F578-A582 WeakPolarHBondContact O-CB 3.34Å; F578-A582 PolarHBondContact O-N 3.04Å; F578-L616 HydrophobicContact CD1-CD1 4.44Å; F578-L616 HydrophobicContact CD1-CD2 4.44Å; F578-L616 HydrophobicContact CE1-CD1 4.45Å; F578-L616 HydrophobicContact CE1-CD2 3.72Å
579	L	96.8	Very high	92.7	Very high	39 Å²	39	64.1 Å²	64.1	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-36.2	177.9	-75.8	172	0	0	0	111.8	N575 E576 G577 K583 L616 L618	N575-L579 WeakPolarHBondContact O-CB 3.17Å; N575-L579 VanDerWaalsContact O-CG 3.29Å; N575-L579 WeakPolarHBondContact O-CG 3.42Å; N575-L579 PolarHBondContact O-N 3.2Å; E576-L579 PolarHBondContact O-N 2.79Å; G577-L579 PolarHBondContact O-N 3.33Å; L579-K583 WeakPolarHBondContact O-CB 3.29Å; L579-K583 VanDerWaalsContact O-CG 3.28Å; L579-K583 WeakPolarHBondContact O-CG 3.02Å; L579-K583 PolarHBondContact O-N 2.96Å; L579-K583 VanDerWaalsContact O-N 3.09Å; L579-L616 HydrophobicContact CD2-CD1 4.1Å; L579-L616 HydrophobicContact CD2-CD2 4.35Å; L579-L616 HydrophobicContact CD2-CG 3.99Å; L579-L618 HydrophobicContact CD2-CB 3.88Å; L579-L618 HydrophobicContact CD2-CD2 4.05Å
580	N	96.1	Very high	93.6	Very high	91 Å²	91	59.7 Å²	59.7	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-51.4	174.2	-65.6	-19.2	0	0	0	110.7	E576 G577 F578 A582 K583 E584	E576-N580 PolarHBondContact O-N 2.73Å; E576-N580 VanDerWaalsContact O-N 3.14Å; G577-N580 PolarHBondContact O-N 3.48Å; F578-N580 VanDerWaalsContact C-N 3.26Å; F578-N580 PolarHBondContact O-N 2.87Å; N580-A582 VanDerWaalsContact C-N 3.29Å; N580-A582 PolarHBondContact O-N 3.15Å; N580-K583 PolarHBondContact O-N 2.6Å; N580-E584 WeakPolarHBondContact O-CB 3.01Å; N580-E584 VanDerWaalsContact O-CG 3.32Å; N580-E584 WeakPolarHBondContact O-CG 3.02Å; N580-E584 PolarHBondContact O-N 2.62Å
581	I	96	Very high	94.4	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-45.2	176.6	-69.6	174.3	0	0	0	111.3	L514 A517 L526 G577 F578 K583 E584 N585 I587	L514-I581 HydrophobicContact CD2-CD1 3.58Å; L514-I581 HydrophobicContact CG-CD1 4Å; A517-I581 HydrophobicContact CB-CD1 4.1Å; L526-I581 HydrophobicContact CD2-CG2 3.87Å; G577-I581 PolarHBondContact O-N 3.1Å; G577-I581 VanDerWaalsContact O-N 3.13Å; F578-I581 PolarHBondContact O-N 3.4Å; I581-K583 VanDerWaalsContact C-N 3.35Å; I581-K583 PolarHBondContact O-N 2.92Å; I581-E584 PolarHBondContact O-N 3.33Å; I581-N585 WeakPolarHBondContact O-CB 3.46Å; I581-N585 PolarHBondContact O-N 3.09Å; I581-N585 PolarHBondContact O-ND2 2.82Å; I581-I587 HydrophobicContact CG2-CD1 4.19Å
582	A	96.5	Very high	95.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-38	-178.1	0	0	0	0	0	112.5	F578 N580 E586 I587 L618	F578-A582 HydrophobicContact CE1-CB 4.41Å; F578-A582 HydrophobicContact CE2-CB 4.46Å; F578-A582 HydrophobicContact CZ-CB 4.22Å; F578-A582 WeakPolarHBondContact O-CB 3.34Å; F578-A582 PolarHBondContact O-N 3.04Å; N580-A582 VanDerWaalsContact C-N 3.29Å; N580-A582 PolarHBondContact O-N 3.15Å; A582-E586 WeakPolarHBondContact O-CA 3.2Å; A582-E586 PolarHBondContact O-N 3.34Å; A582-E586 VanDerWaalsContact O-N 3.15Å; A582-I587 HydrophobicContact CB-CB 4.21Å; A582-I587 HydrophobicContact CB-CD1 4.47Å; A582-I587 PolarHBondContact O-N 2.97Å; A582-L618 HydrophobicContact CB-CD2 3.64Å
583	K	95.1	Very high	95.6	Very high	137 Å²	137	47.2 Å²	47.2	60%	0.596	24%	0.239	S	C	*	.	H	α-helix	trans	-71.7	-45.8	175.5	-72.5	171.9	-176.4	175.9	0	111.9	L579 N580 I581 N585 E586	L579-K583 WeakPolarHBondContact O-CB 3.29Å; L579-K583 VanDerWaalsContact O-CG 3.28Å; L579-K583 WeakPolarHBondContact O-CG 3.02Å; L579-K583 PolarHBondContact O-N 2.96Å; L579-K583 VanDerWaalsContact O-N 3.09Å; N580-K583 PolarHBondContact O-N 2.6Å; I581-K583 VanDerWaalsContact C-N 3.35Å; I581-K583 PolarHBondContact O-N 2.92Å; K583-N585 VanDerWaalsContact C-N 3.3Å; K583-N585 PolarHBondContact O-N 2.95Å; K583-E586 PolarHBondContact O-N 3.43Å
584	E	93.9	Very high	95.8	Very high	149 Å²	149	43.6 Å²	43.6	70%	0.696	21%	0.213	S	C	*	.	H	α-helix	trans	-63.4	-35.5	-179.1	-73.2	172	-174.3	0	0	112.8	N580 I581	N580-E584 WeakPolarHBondContact O-CB 3.01Å; N580-E584 VanDerWaalsContact O-CG 3.32Å; N580-E584 WeakPolarHBondContact O-CG 3.02Å; N580-E584 PolarHBondContact O-N 2.62Å; I581-E584 PolarHBondContact O-N 3.33Å
585	N	93.4	Very high	95.9	Very high	53 Å²	53	45.5 Å²	45.5	28%	0.283	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	7.9	-178.9	-65.3	-89.7	0	0	0	113.3	I581 K583 I587	I581-N585 WeakPolarHBondContact O-CB 3.46Å; I581-N585 PolarHBondContact O-N 3.09Å; I581-N585 PolarHBondContact O-ND2 2.82Å; K583-N585 VanDerWaalsContact C-N 3.3Å; K583-N585 PolarHBondContact O-N 2.95Å; N585-I587 HydrophobicContact CB-CD1 4.23Å; N585-I587 HydrophobicContact CB-CG1 3.89Å; N585-I587 PolarHBondContact O-N 3.31Å
586	E	94.2	Very high	95.9	Very high	172 Å²	172	49 Å²	49	80%	0.804	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.1	-179.7	-56.5	-177.8	152.6	0	0	113.3	A582 K583 K588	A582-E586 WeakPolarHBondContact O-CA 3.2Å; A582-E586 PolarHBondContact O-N 3.34Å; A582-E586 VanDerWaalsContact O-N 3.15Å; K583-E586 PolarHBondContact O-N 3.43Å; E586-K588 PolarHBondContact O-N 2.93Å
587	I	96.7	Very high	95.7	Very high	9 Å²	9	46 Å²	46	5%	0.046	23%	0.232	C	C	.	.			trans	-70.2	121.7	-177.5	-57.3	179.1	0	0	0	109.2	T529 I532 I581 A582 N585 V589	T529-I587 HydrophobicContact CG2-CD1 3.78Å; T529-I587 HydrophobicContact CG2-CG1 4.28Å; T529-I587 HydrophobicContact CG2-CG2 4.16Å; I532-I587 HydrophobicContact CD1-CG2 3.87Å; I532-I587 HydrophobicContact CG1-CG2 3.81Å; I581-I587 HydrophobicContact CG2-CD1 4.19Å; A582-I587 HydrophobicContact CB-CB 4.21Å; A582-I587 HydrophobicContact CB-CD1 4.47Å; A582-I587 PolarHBondContact O-N 2.97Å; N585-I587 HydrophobicContact CB-CD1 4.23Å; N585-I587 HydrophobicContact CB-CG1 3.89Å; N585-I587 PolarHBondContact O-N 3.31Å; I587-V589 HydrophobicContact CG2-CG2 4.47Å
588	K	97.4	Very high	95.2	Very high	86 Å²	86	45.3 Å²	45.3	37%	0.374	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.3	172.9	-60.9	-171.9	-171.8	179.5	0	110.1	K530 G531 I532 E586 F648 E651 A652	K530-K588 PolarHBondContact O-N 3.3Å; K530-K588 VanDerWaalsContact O-N 3.09Å; G531-K588 CarbonylContact C-O 3.55Å; G531-K588 VanDerWaalsContact CA-O 3.23Å; G531-K588 WeakPolarHBondContact CA-O 3.22Å; I532-K588 PolarHBondContact N-O 2.92Å; E586-K588 PolarHBondContact O-N 2.93Å; K588-F648 HydrophobicContact CB-CE2 4.04Å; K588-F648 HydrophobicContact CB-CZ 4.22Å; K588-E651 PolarHBondContact NZ-O 2.82Å; K588-A652 HydrophobicContact CD-CB 4.49Å
589	V	98.1	Very high	94.5	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.1	178.9	-176.9	0	0	0	0	111.1	I532 F534 I587 L616 L618 G619 E620	I532-V589 WeakPolarHBondContact O-CA 3.26Å; F534-V589 HydrophobicContact CD2-CG1 3.77Å; F534-V589 HydrophobicContact CE2-CG1 3.86Å; I587-V589 HydrophobicContact CG2-CG2 4.47Å; V589-L616 HydrophobicContact CG1-CD2 3.93Å; V589-L618 HydrophobicContact CG2-CD2 3.94Å; V589-L618 HydrophobicContact CG2-CG 4.39Å; V589-G619 VanDerWaalsContact O-CA 3.31Å; V589-G619 WeakPolarHBondContact O-CA 3.25Å; V589-E620 PolarHBondContact O-N 2.83Å
590	L	98.3	Very high	93.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.6	170.1	173.4	63.5	0	0	0	109.1	I532 M533 F534 F592 E620 I622 R644 F648	I532-L590 PolarHBondContact O-N 3.4Å; I532-L590 VanDerWaalsContact O-N 3.07Å; M533-L590 CarbonylContact C-O 3.48Å; M533-L590 VanDerWaalsContact CA-O 3.29Å; M533-L590 WeakPolarHBondContact CA-O 3.44Å; M533-L590 HydrophobicContact CG-CB 4.46Å; M533-L590 HydrophobicContact CG-CD2 4.31Å; M533-L590 HydrophobicContact CG-CG 4.44Å; M533-L590 HydrophobicContact SD-CD2 4.14Å; F534-L590 PolarHBondContact N-O 3.43Å; L590-F592 HydrophobicContact CD2-CE2 3.76Å; L590-F592 HydrophobicContact CD2-CZ 3.82Å; L590-F592 HydrophobicContact CG-CE2 4.07Å; L590-F592 HydrophobicContact CG-CZ 4.33Å; L590-E620 HydrophobicContact CD1-CB 4.01Å; L590-E620 HydrophobicContact CD1-CG 4.35Å; L590-I622 HydrophobicContact CD1-CD1 3.77Å; L590-I622 HydrophobicContact CD1-CG1 4.1Å; L590-R644 HydrophobicContact CD2-CG 4.11Å; L590-F648 HydrophobicContact CB-CD1 4.43Å; L590-F648 HydrophobicContact CB-CD2 3.56Å; L590-F648 HydrophobicContact CB-CE1 4.45Å; L590-F648 HydrophobicContact CB-CE2 3.57Å; L590-F648 HydrophobicContact CB-CG 4Å; L590-F648 HydrophobicContact CB-CZ 4.03Å; L590-F648 HydrophobicContact CD2-CB 3.7Å; L590-F648 HydrophobicContact CD2-CD2 3.99Å; L590-F648 HydrophobicContact CD2-CG 3.82Å; L590-F648 HydrophobicContact CG-CD2 4.4Å
591	S	98.3	Very high	91.9	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.7	179.2	-68	0	0	0	0	111.2	F534 E620 L621 I622	F534-S591 CarbonylContact O-C 3.52Å; F534-S591 WeakPolarHBondContact O-CA 3.39Å; S591-E620 PolarHBondContact N-O 3Å; S591-L621 CarbonylContact O-C 3.42Å; S591-L621 WeakPolarHBondContact O-CA 3.36Å; S591-I622 PolarHBondContact O-N 2.95Å
592	F	98.2	Very high	90.8	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.6	168.5	-65.9	-78.8	0	0	0	110.1	M533 F534 Y535 S536 L590 I622 V624 I631 F640 L641 R644	M533-F592 HydrophobicContact CG-CD2 4.25Å; M533-F592 HydrophobicContact CG-CE2 3.97Å; M533-F592 HydrophobicContact SD-CD2 4.5Å; M533-F592 HydrophobicContact SD-CE2 3.73Å; F534-F592 PolarHBondContact O-N 3.17Å; Y535-F592 HydrophobicContact CD1-CB 3.79Å; Y535-F592 AromaticContact CD1-CD2 3.5Å; Y535-F592 HydrophobicContact CD1-CD2 3.5Å; Y535-F592 VanDerWaalsContact CD1-CD2 3.5Å; Y535-F592 HydrophobicContact CD1-CE2 4.34Å; Y535-F592 AromaticContact CD1-CG 3.9Å; Y535-F592 HydrophobicContact CD1-CG 3.9Å; Y535-F592 HydrophobicContact CE1-CB 4.32Å; Y535-F592 AromaticContact CE1-CD2 3.27Å; Y535-F592 HydrophobicContact CE1-CD2 3.27Å; Y535-F592 AromaticContact CE1-CE2 3.66Å; Y535-F592 HydrophobicContact CE1-CE2 3.66Å; Y535-F592 AromaticContact CE1-CG 3.92Å; Y535-F592 HydrophobicContact CE1-CG 3.92Å; Y535-F592 HydrophobicContact CG-CD2 4.4Å; S536-F592 PolarHBondContact N-O 3.03Å; L590-F592 HydrophobicContact CD2-CE2 3.76Å; L590-F592 HydrophobicContact CD2-CZ 3.82Å; L590-F592 HydrophobicContact CG-CE2 4.07Å; L590-F592 HydrophobicContact CG-CZ 4.33Å; F592-I622 CarbonylContact C-O 3.58Å; F592-I622 VanDerWaalsContact CA-O 3.3Å; F592-I622 WeakPolarHBondContact CA-O 3.3Å; F592-I622 HydrophobicContact CD1-CB 3.82Å; F592-I622 HydrophobicContact CD1-CG2 4.07Å; F592-I622 HydrophobicContact CE1-CB 4.03Å; F592-I622 HydrophobicContact CE1-CD1 3.93Å; F592-I622 HydrophobicContact CE1-CG2 4.12Å; F592-V624 HydrophobicContact CD1-CG2 3.68Å; F592-V624 HydrophobicContact CE1-CG2 4.42Å; F592-I631 HydrophobicContact CB-CD1 4.17Å; F592-I631 HydrophobicContact CB-CG1 4.29Å; F592-F640 HydrophobicContact CE1-CE1 4.21Å; F592-L641 HydrophobicContact CD1-CD2 4.11Å; F592-L641 HydrophobicContact CE1-CD2 4.19Å; F592-R644 HydrophobicContact CE1-CG 4.16Å; F592-R644 HydrophobicContact CZ-CB 4.14Å; F592-R644 HydrophobicContact CZ-CG 3.78Å
593	A	96.8	Very high	89.8	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.9	176.1	0	0	0	0	0	111	T611 A614 L621 I622 K623 V624	A593-T611 HydrophobicContact CB-CG2 3.91Å; A593-A614 HydrophobicContact CB-CB 3.73Å; A593-L621 HydrophobicContact CB-CD1 4.04Å; A593-I622 PolarHBondContact N-O 2.95Å; A593-K623 WeakPolarHBondContact O-CA 3.46Å; A593-V624 PolarHBondContact O-N 3.43Å
594	E	94.1	Very high	88.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	153.5	167.7	69.1	-160	-141.8	0	0	112.4	S536 V607 V608 V609 V626 H628	S536-E594 VanDerWaalsContact CB-OE2 3.31Å; S536-E594 WeakPolarHBondContact CB-OE2 3.18Å; S536-E594 PolarHBondContact OG-N 2.95Å; S536-E594 PolarHBondContact OG-OE2 2.91Å; E594-V607 HydrophobicContact CG-CG1 4.25Å; E594-V608 WeakPolarHBondContact OE1-CA 3.4Å; E594-V608 PolarHBondContact OE1-N 3.23Å; E594-V609 PolarHBondContact OE1-N 2.97Å; E594-V626 WeakPolarHBondContact CB-O 3.49Å; E594-H628 IonicContact OE1-ND1 2.69Å; E594-H628 WeakPolarHBondContact OE2-CA 3.45Å; E594-H628 WeakPolarHBondContact OE2-CB 3.47Å; E594-H628 IonicContact OE2-CG 3.06Å; E594-H628 VanDerWaalsContact OE2-CG 3.23Å; E594-H628 IonicContact OE2-ND1 2.7Å; E594-H628 PolarHBondContact OE2-ND1 2.95Å
595	T	94.1	Very high	88.2	Confident	53 Å²	53	58.2 Å²	58.2	33%	0.325	30%	0.303	S	S	.	.			trans	-126.5	-16	171.8	60.2	0	0	0	0	113.2	K623 V624 D625 V626	T595-K623 HydrophobicContact CG2-CB 3.9Å; T595-V624 PolarHBondContact N-O 3.34Å; T595-V624 PolarHBondContact OG1-O 2.88Å; T595-D625 VanDerWaalsContact OG1-CA 3.32Å; T595-D625 WeakPolarHBondContact OG1-CA 3.46Å; T595-D625 PolarHBondContact OG1-OD1 2.97Å; T595-V626 PolarHBondContact N-O 2.81Å
596	Q	93.4	Very high	87.7	Confident	84 Å²	84	56.4 Å²	56.4	39%	0.393	29%	0.294	S	S	.	.	S	Bend	trans	-97.5	144.3	178.6	-65.6	-63.6	-29.5	0	0	112	D625 V626	Q596-D625 VanDerWaalsContact CG-OD1 3.3Å; Q596-D625 WeakPolarHBondContact CG-OD1 3.28Å; Q596-D625 PolarHBondContact NE2-OD1 3.31Å; Q596-V626 PolarHBondContact N-O 3.35Å
597	P	89.4	Confident	87.3	Confident	48 Å²	48	50.5 Å²	50.5	31%	0.312	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-73.3	140.5	176.7	32.4	-35.2	0	0	0	110.9	K605 V607	P597-K605 HydrophobicContact CB-CB 3.98Å; P597-K605 HydrophobicContact CG-CB 4.24Å; P597-V607 HydrophobicContact CB-CG2 4.06Å
598	T	86.2	Confident	86.6	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.8	176.6	-53.9	0	0	0	0	110.3	I600 K605 V606 H628 L629	T598-I600 HydrophobicContact CG2-CD1 4.07Å; T598-I600 PolarHBondContact O-N 3.42Å; T598-K605 WeakPolarHBondContact O-CA 3.33Å; T598-V606 PolarHBondContact N-O 2.99Å; T598-V606 PolarHBondContact O-N 2.97Å; T598-H628 WeakPolarHBondContact OG1-CB 3.45Å; T598-H628 PolarHBondContact OG1-N 3.41Å; T598-L629 HydrophobicContact CG2-CD1 3.84Å; T598-L629 HydrophobicContact CG2-CG 3.81Å
599	N	82.3	Confident	86.2	Confident	104 Å²	104	47.2 Å²	47.2	56%	0.556	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	112.2	172.8	-62.8	-30.8	0	0	0	109.7	K605	N599-K605 WeakPolarHBondContact OD1-CD 3.47Å; N599-K605 WeakPolarHBondContact OD1-CE 3.15Å; N599-K605 VanDerWaalsContact OD1-CG 3.23Å; N599-K605 WeakPolarHBondContact OD1-CG 3.41Å
600	I	70.6	Confident	85.7	Confident	55 Å²	55	47.8 Å²	47.8	28%	0.282	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-32.8	178.7	-56.5	-56.5	0	0	0	110.9	L554 L555 T598 I604 V606	L554-I600 HydrophobicContact CD2-CG2 4.16Å; L554-I600 HydrophobicContact CG-CG2 4.5Å; L555-I600 HydrophobicContact CD1-CG1 4.49Å; L555-I600 HydrophobicContact CD2-CB 4.02Å; L555-I600 HydrophobicContact CD2-CD1 3.54Å; L555-I600 HydrophobicContact CD2-CG1 3.64Å; L555-I600 HydrophobicContact CD2-CG2 3.22Å; L555-I600 HydrophobicContact CG-CG1 4.45Å; L555-I600 HydrophobicContact CG-CG2 3.75Å; T598-I600 HydrophobicContact CG2-CD1 4.07Å; T598-I600 PolarHBondContact O-N 3.42Å; I600-I604 HydrophobicContact CB-CG2 4.39Å; I600-I604 PolarHBondContact N-O 3.43Å; I600-V606 HydrophobicContact CG1-CB 4.37Å
601	S	66.9	Low	85.4	Confident	38 Å²	38	49 Å²	49	27%	0.266	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.3	175.2	144.3	0	0	0	0	107.4	M603 I604	S601-M603 PolarHBondContact O-N 3.49Å; S601-M603 PolarHBondContact OG-N 3.27Å; S601-I604 PolarHBondContact N-O 3.48Å; S601-I604 PolarHBondContact O-N 3.04Å
602	P	73.1	Confident	85	Confident	136 Å²	136	55.7 Å²	55.7	88%	0.883	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-26.2	177.4	-29.6	35.7	0	0	0	114.7
603	M	75.3	Confident	84.6	Confident	180 Å²	180	55.8 Å²	55.8	89%	0.887	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-5.8	-178.4	-60.8	-178.2	177.9	0	0	114.4	S601	S601-M603 PolarHBondContact O-N 3.49Å; S601-M603 PolarHBondContact OG-N 3.27Å
604	I	73.9	Confident	84.5	Confident	45 Å²	45	55.9 Å²	55.9	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113	-170.4	-60.5	164.2	0	0	0	109.6	V551 L554 I600 S601 V606	V551-I604 HydrophobicContact CG1-CG2 4.48Å; V551-I604 HydrophobicContact CG2-CD1 4.01Å; V551-I604 HydrophobicContact CG2-CG2 4.18Å; L554-I604 HydrophobicContact CD2-CD1 3.97Å; I600-I604 HydrophobicContact CB-CG2 4.39Å; I600-I604 PolarHBondContact N-O 3.43Å; S601-I604 PolarHBondContact N-O 3.48Å; S601-I604 PolarHBondContact O-N 3.04Å; I604-V606 HydrophobicContact CG2-CG2 3.86Å
605	K	82.3	Confident	84.4	Confident	141 Å²	141	59.1 Å²	59.1	61%	0.613	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.8	172.1	-52.8	-161.3	179.8	-170.8	0	109.8	P597 T598 N599	P597-K605 HydrophobicContact CB-CB 3.98Å; P597-K605 HydrophobicContact CG-CB 4.24Å; T598-K605 WeakPolarHBondContact O-CA 3.33Å; N599-K605 WeakPolarHBondContact OD1-CD 3.47Å; N599-K605 WeakPolarHBondContact OD1-CE 3.15Å; N599-K605 VanDerWaalsContact OD1-CG 3.23Å; N599-K605 WeakPolarHBondContact OD1-CG 3.41Å
606	V	81.9	Confident	84.4	Confident	14 Å²	14	57 Å²	57	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.2	-174.8	168.5	0	0	0	0	109.7	Y547 V551 T598 I600 I604 V608	Y547-V606 HydrophobicContact CD1-CG1 4.32Å; Y547-V606 HydrophobicContact CD1-CG2 4.22Å; Y547-V606 HydrophobicContact CE1-CB 4.21Å; Y547-V606 HydrophobicContact CE1-CG1 3.29Å; Y547-V606 HydrophobicContact CE1-CG2 3.81Å; Y547-V606 HydrophobicContact CE2-CG1 4.46Å; Y547-V606 WeakPolarHBondContact OH-CG1 3.04Å; V551-V606 HydrophobicContact CG1-CG2 4.49Å; T598-V606 PolarHBondContact N-O 2.99Å; T598-V606 PolarHBondContact O-N 2.97Å; I600-V606 HydrophobicContact CG1-CB 4.37Å; I604-V606 HydrophobicContact CG2-CG2 3.86Å; V606-V608 PolarHBondContact O-N 3.4Å
607	V	85.6	Confident	84.3	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.297	32%	0.32	S	S	.	.			trans	-69.7	114.9	161.4	179	0	0	0	0	106.6	Y547 E594 P597	Y547-V607 PolarHBondContact OH-O 2.87Å; E594-V607 HydrophobicContact CG-CG1 4.25Å; P597-V607 HydrophobicContact CB-CG2 4.06Å
608	V	83	Confident	84.5	Confident	24 Å²	24	56.1 Å²	56.1	15%	0.145	32%	0.317	C	S	.	.	S	Bend	trans	-76.1	-42.8	-170.9	179.9	0	0	0	0	109.4	T542 E594 V606 H628	T542-V608 WeakPolarHBondContact CG2-O 3.36Å; E594-V608 WeakPolarHBondContact OE1-CA 3.4Å; E594-V608 PolarHBondContact OE1-N 3.23Å; V606-V608 PolarHBondContact O-N 3.4Å; V608-H628 HydrophobicContact CB-CB 3.83Å; V608-H628 HydrophobicContact CG2-CB 3.71Å
609	V	87.9	Confident	84.9	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	34%	0.344	C	S	.	.	S	Bend	trans	-126.1	104.9	177.1	-175.2	0	0	0	0	109.8	S536 P538 T542 E594 A614	S536-V609 WeakPolarHBondContact O-CG2 3.3Å; P538-V609 HydrophobicContact CB-CG1 3.95Å; P538-V609 HydrophobicContact CB-CG2 3.99Å; P538-V609 HydrophobicContact CG-CG2 4.34Å; T542-V609 HydrophobicContact CG2-CG2 4.13Å; E594-V609 PolarHBondContact OE1-N 2.97Å; V609-A614 HydrophobicContact CG1-CB 4.05Å
610	P	89.1	Confident	85.5	Confident	23 Å²	23	58.2 Å²	58.2	15%	0.149	34%	0.338	C	S	.	.			trans	-59.1	146.6	173.9	-25.7	36.3	0	0	0	111.5	F543 Q612 S613 A614	F543-P610 HydrophobicContact CD2-CG 4.01Å; F543-P610 HydrophobicContact CE2-CG 4.33Å; P610-Q612 PolarHBondContact O-N 3.21Å; P610-Q612 VanDerWaalsContact O-N 3.1Å; P610-S613 WeakPolarHBondContact O-CA 3.18Å; P610-S613 WeakPolarHBondContact O-CB 3.37Å; P610-S613 PolarHBondContact O-N 3.05Å; P610-A614 PolarHBondContact O-N 3.43Å; P610-A614 VanDerWaalsContact O-N 3.09Å
611	T	91.4	Very high	86.8	Confident	27 Å²	27	58 Å²	58	17%	0.166	34%	0.337	C	S	.	.	H	α-helix	trans	-55.6	-34.3	-176.9	-48.6	0	0	0	0	113.2	A593 S613 A614 D615 L621 K623	A593-T611 HydrophobicContact CB-CG2 3.91Å; T611-S613 VanDerWaalsContact C-N 3.26Å; T611-S613 PolarHBondContact O-N 3.21Å; T611-A614 PolarHBondContact O-N 2.85Å; T611-D615 PolarHBondContact O-N 3.27Å; T611-L621 HydrophobicContact CG2-CD2 4.01Å; T611-K623 HydrophobicContact CG2-CD 3.95Å; T611-K623 HydrophobicContact CG2-CG 4.02Å
612	Q	90.3	Very high	88.3	Confident	143 Å²	143	57 Å²	57	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-66.2	-28.7	176.7	-58.5	80.2	4.1	0	0	112.6	H540 P610	H540-Q612 PolarHBondContact ND1-O 3.08Å; P610-Q612 PolarHBondContact O-N 3.21Å; P610-Q612 VanDerWaalsContact O-N 3.1Å
613	S	90.3	Very high	89.4	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-81.8	-32.7	175	-173.7	0	0	0	0	112.1	P538 H539 H540 G541 P610 T611 D615	P538-S613 WeakPolarHBondContact CA-OG 3.4Å; H539-S613 WeakPolarHBondContact CB-O 3.43Å; H539-S613 PolarHBondContact N-O 3.05Å; H540-S613 PolarHBondContact N-O 3.43Å; H540-S613 PolarHBondContact N-OG 3.29Å; G541-S613 PolarHBondContact N-OG 3.12Å; G541-S613 VanDerWaalsContact O-CB 3.28Å; G541-S613 WeakPolarHBondContact O-CB 3.49Å; G541-S613 PolarHBondContact O-OG 3.32Å; P610-S613 WeakPolarHBondContact O-CA 3.18Å; P610-S613 WeakPolarHBondContact O-CB 3.37Å; P610-S613 PolarHBondContact O-N 3.05Å; T611-S613 VanDerWaalsContact C-N 3.26Å; T611-S613 PolarHBondContact O-N 3.21Å; S613-D615 VanDerWaalsContact C-N 3.3Å
614	A	92.7	Very high	90.4	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-72.3	-22.8	174.1	0	0	0	0	0	113.5	V537 H539 A593 V609 P610 T611 L616	V537-A614 WeakPolarHBondContact O-CA 3.45Å; H539-A614 PolarHBondContact CD2-O 3.14Å; H539-A614 VanDerWaalsContact CD2-O 3.31Å; A593-A614 HydrophobicContact CB-CB 3.73Å; V609-A614 HydrophobicContact CG1-CB 4.05Å; P610-A614 PolarHBondContact O-N 3.43Å; P610-A614 VanDerWaalsContact O-N 3.09Å; T611-A614 PolarHBondContact O-N 2.85Å; A614-L616 PolarHBondContact O-N 2.82Å
615	D	94	Very high	91.4	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.364	30%	0.296	S	S	.	.			trans	-71.5	119.6	173.1	-165.7	-7.5	0	0	0	110.6	H540 T611 S613 G617 L621	H540-D615 PolarHBondContact CE1-O 3.17Å; H540-D615 PolarHBondContact ND1-O 3.19Å; T611-D615 PolarHBondContact O-N 3.27Å; S613-D615 VanDerWaalsContact C-N 3.3Å; D615-G617 PolarHBondContact OD1-N 2.7Å; D615-L621 HydrophobicContact CB-CD2 3.74Å
616	L	92.4	Very high	92	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	28%	0.275	C	S	.	.			trans	-84.3	-20.9	175.8	-177.2	61.2	0	0	0	112.3	F534 H539 F578 L579 V589 A614 L618	F534-L616 HydrophobicContact CE2-CD2 4.07Å; H539-L616 HydrophobicContact CB-CD1 4.35Å; F578-L616 HydrophobicContact CD1-CD1 4.44Å; F578-L616 HydrophobicContact CD1-CD2 4.44Å; F578-L616 HydrophobicContact CE1-CD1 4.45Å; F578-L616 HydrophobicContact CE1-CD2 3.72Å; L579-L616 HydrophobicContact CD2-CD1 4.1Å; L579-L616 HydrophobicContact CD2-CD2 4.35Å; L579-L616 HydrophobicContact CD2-CG 3.99Å; V589-L616 HydrophobicContact CG1-CD2 3.93Å; A614-L616 PolarHBondContact O-N 2.82Å; L616-L618 HydrophobicContact CD2-CB 3.89Å; L616-L618 HydrophobicContact CD2-CD2 4.39Å; L616-L618 HydrophobicContact CG-CB 4.05Å
617	G	92.3	Very high	92.5	Very high	70 Å²	70	48.5 Å²	48.5	72%	0.722	28%	0.281	S	S	*	.	S	Bend	trans	72	15.3	-165.1	0	0	0	0	0	113.9	D615	D615-G617 PolarHBondContact OD1-N 2.7Å
618	L	93.1	Very high	92.7	Very high	44 Å²	44	46.7 Å²	46.7	23%	0.23	27%	0.27	C	S	.	.	S	Bend	trans	-141.2	131.2	176.5	-178.1	71.8	0	0	0	109.7	L579 A582 V589 L616	L579-L618 HydrophobicContact CD2-CB 3.88Å; L579-L618 HydrophobicContact CD2-CD2 4.05Å; A582-L618 HydrophobicContact CB-CD2 3.64Å; V589-L618 HydrophobicContact CG2-CD2 3.94Å; V589-L618 HydrophobicContact CG2-CG 4.39Å; L616-L618 HydrophobicContact CD2-CB 3.89Å; L616-L618 HydrophobicContact CD2-CD2 4.39Å; L616-L618 HydrophobicContact CG-CB 4.05Å
619	G	94	Very high	92.9	Very high	57 Å²	57	50 Å²	50	59%	0.588	29%	0.286	S	S	*	.	S	Bend	trans	80.4	-168.7	-177.9	0	0	0	0	0	113.5	V589	V589-G619 VanDerWaalsContact O-CA 3.31Å; V589-G619 WeakPolarHBondContact O-CA 3.25Å
620	E	96.3	Very high	93.2	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.6	178.2	-174.1	-174.6	-171.5	0	0	110.7	V589 L590 S591 I622 R644	V589-E620 PolarHBondContact O-N 2.83Å; L590-E620 HydrophobicContact CD1-CB 4.01Å; L590-E620 HydrophobicContact CD1-CG 4.35Å; S591-E620 PolarHBondContact N-O 3Å; E620-I622 HydrophobicContact CG-CD1 4.43Å; E620-I622 HydrophobicContact CG-CG1 3.94Å; E620-R644 IonicContact OE2-CZ 3.25Å; E620-R644 IonicContact OE2-NE 2.76Å; E620-R644 PolarHBondContact OE2-NE 3.49Å; E620-R644 IonicContact OE2-NH2 3.85Å; E620-R644 PolarHBondContact OE2-NH2 3.02Å
621	L	97.4	Very high	93.4	Very high	49 Å²	49	50.2 Å²	50.2	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.2	170.5	-179.8	70.9	0	0	0	110.2	S591 A593 T611 D615	S591-L621 CarbonylContact O-C 3.42Å; S591-L621 WeakPolarHBondContact O-CA 3.36Å; A593-L621 HydrophobicContact CB-CD1 4.04Å; T611-L621 HydrophobicContact CG2-CD2 4.01Å; D615-L621 HydrophobicContact CB-CD2 3.74Å
622	I	97.8	Very high	93.6	Very high	18 Å²	18	49 Å²	49	9%	0.092	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121	179.1	-56.6	-178.7	0	0	0	109.4	L590 S591 F592 A593 E620 V624 F640 R644	L590-I622 HydrophobicContact CD1-CD1 3.77Å; L590-I622 HydrophobicContact CD1-CG1 4.1Å; S591-I622 PolarHBondContact O-N 2.95Å; F592-I622 CarbonylContact C-O 3.58Å; F592-I622 VanDerWaalsContact CA-O 3.3Å; F592-I622 WeakPolarHBondContact CA-O 3.3Å; F592-I622 HydrophobicContact CD1-CB 3.82Å; F592-I622 HydrophobicContact CD1-CG2 4.07Å; F592-I622 HydrophobicContact CE1-CB 4.03Å; F592-I622 HydrophobicContact CE1-CD1 3.93Å; F592-I622 HydrophobicContact CE1-CG2 4.12Å; A593-I622 PolarHBondContact N-O 2.95Å; E620-I622 HydrophobicContact CG-CD1 4.43Å; E620-I622 HydrophobicContact CG-CG1 3.94Å; I622-V624 HydrophobicContact CG2-CG2 4.11Å; I622-F640 HydrophobicContact CD1-CZ 4.2Å; I622-F640 HydrophobicContact CG2-CE1 3.71Å; I622-F640 HydrophobicContact CG2-CZ 3.76Å; I622-R644 HydrophobicContact CD1-CG 3.8Å
623	K	97.4	Very high	93.9	Very high	139 Å²	139	42.9 Å²	42.9	60%	0.604	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.7	173.2	-54.9	-174.8	-164.6	-171.3	0	109.2	A593 T595 T611	A593-K623 WeakPolarHBondContact O-CA 3.46Å; T595-K623 HydrophobicContact CG2-CB 3.9Å; T611-K623 HydrophobicContact CG2-CD 3.95Å; T611-K623 HydrophobicContact CG2-CG 4.02Å
624	V	96.1	Very high	94.1	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.097	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.5	-177	-170.5	0	0	0	0	109.3	F592 A593 T595 I622 V626 I631 F640 L641	F592-V624 HydrophobicContact CD1-CG2 3.68Å; F592-V624 HydrophobicContact CE1-CG2 4.42Å; A593-V624 PolarHBondContact O-N 3.43Å; T595-V624 PolarHBondContact N-O 3.34Å; T595-V624 PolarHBondContact OG1-O 2.88Å; I622-V624 HydrophobicContact CG2-CG2 4.11Å; V624-V626 HydrophobicContact CB-CG2 4.03Å; V624-V626 HydrophobicContact CG1-CG1 4.15Å; V624-V626 HydrophobicContact CG1-CG2 3.75Å; V624-V626 PolarHBondContact O-N 2.93Å; V624-I631 HydrophobicContact CB-CD1 3.64Å; V624-I631 HydrophobicContact CG1-CD1 4.27Å; V624-I631 HydrophobicContact CG2-CD1 3.99Å; V624-F640 HydrophobicContact CG2-CE1 4.41Å; V624-L641 HydrophobicContact CG1-CD1 4.38Å; V624-L641 HydrophobicContact CG1-CD2 4.06Å; V624-L641 HydrophobicContact CG1-CG 4.2Å; V624-L641 HydrophobicContact CG2-CD2 3.99Å
625	D	95	Very high	94.1	Very high	115 Å²	115	47.2 Å²	47.2	62%	0.615	27%	0.269	S	S	*	.	S	Bend	trans	-77.1	64.2	-176.5	-162.4	36.4	0	0	0	113.5	T595 Q596	T595-D625 VanDerWaalsContact OG1-CA 3.32Å; T595-D625 WeakPolarHBondContact OG1-CA 3.46Å; T595-D625 PolarHBondContact OG1-OD1 2.97Å; Q596-D625 VanDerWaalsContact CG-OD1 3.3Å; Q596-D625 WeakPolarHBondContact CG-OD1 3.28Å; Q596-D625 PolarHBondContact NE2-OD1 3.31Å
626	V	94	Very high	94	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.17	27%	0.271	C	S	.	.	S	Bend	trans	-146.5	163.5	-177.5	-64.4	0	0	0	0	110.3	E594 T595 Q596 V624 I631	E594-V626 WeakPolarHBondContact CB-O 3.49Å; T595-V626 PolarHBondContact N-O 2.81Å; Q596-V626 PolarHBondContact N-O 3.35Å; V624-V626 HydrophobicContact CB-CG2 4.03Å; V624-V626 HydrophobicContact CG1-CG1 4.15Å; V624-V626 HydrophobicContact CG1-CG2 3.75Å; V624-V626 PolarHBondContact O-N 2.93Å; V626-I631 HydrophobicContact CG2-CB 3.93Å; V626-I631 HydrophobicContact CG2-CD1 3.33Å; V626-I631 HydrophobicContact CG2-CG1 4.21Å
627	D	91.9	Very high	94	Very high	39 Å²	39	51.9 Å²	51.9	21%	0.209	29%	0.286	C	S	.	.			trans	-81.9	171.9	173.7	69	51.8	0	0	0	112.7	L629 N630 I631	D627-L629 VanDerWaalsContact C-N 3.26Å; D627-L629 PolarHBondContact O-N 2.88Å; D627-L629 WeakPolarHBondContact OD1-CA 3.42Å; D627-L629 WeakPolarHBondContact OD1-CB 2.9Å; D627-L629 PolarHBondContact OD1-N 3.43Å; D627-N630 PolarHBondContact O-N 2.91Å; D627-N630 WeakPolarHBondContact OD1-CB 2.74Å; D627-N630 PolarHBondContact OD1-N 3.1Å; D627-N630 PolarHBondContact OD1-ND2 3.26Å; D627-N630 PolarHBondContact OD2-ND2 2.98Å; D627-I631 PolarHBondContact O-N 3.11Å
628	H	90.6	Very high	94	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.056	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.5	-176.5	-170.5	76.3	0	0	0	114.3	H502 S503 S536 E594 T598 V608 I631	H502-H628 AromaticContact CE1-NE2 3.72Å; H502-H628 AromaticContact NE2-CD2 3.97Å; H502-H628 AromaticContact NE2-CE1 3.9Å; H502-H628 AromaticContact NE2-NE2 3.71Å; H502-H628 PolarHBondContact NE2-O 3.18Å; S503-H628 WeakPolarHBondContact CB-NE2 3.5Å; S503-H628 PolarHBondContact OG-CE1 2.78Å; S503-H628 VanDerWaalsContact OG-CE1 3.32Å; S503-H628 PolarHBondContact OG-NE2 3.01Å; S536-H628 VanDerWaalsContact CB-ND1 3.33Å; S536-H628 WeakPolarHBondContact CB-ND1 3.44Å; E594-H628 IonicContact OE1-ND1 2.69Å; E594-H628 WeakPolarHBondContact OE2-CA 3.45Å; E594-H628 WeakPolarHBondContact OE2-CB 3.47Å; E594-H628 IonicContact OE2-CG 3.06Å; E594-H628 VanDerWaalsContact OE2-CG 3.23Å; E594-H628 IonicContact OE2-ND1 2.7Å; E594-H628 PolarHBondContact OE2-ND1 2.95Å; T598-H628 WeakPolarHBondContact OG1-CB 3.45Å; T598-H628 PolarHBondContact OG1-N 3.41Å; V608-H628 HydrophobicContact CB-CB 3.83Å; V608-H628 HydrophobicContact CG2-CB 3.71Å; H628-I631 VanDerWaalsContact O-CG2 3.3Å; H628-I631 WeakPolarHBondContact O-CG2 3.2Å
629	L	87.5	Confident	94.1	Very high	93 Å²	93	50.6 Å²	50.6	49%	0.487	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-25.8	-178.1	-62.4	178.9	0	0	0	111.7	T598 D627 K633	T598-L629 HydrophobicContact CG2-CD1 3.84Å; T598-L629 HydrophobicContact CG2-CG 3.81Å; D627-L629 VanDerWaalsContact C-N 3.26Å; D627-L629 PolarHBondContact O-N 2.88Å; D627-L629 WeakPolarHBondContact OD1-CA 3.42Å; D627-L629 WeakPolarHBondContact OD1-CB 2.9Å; D627-L629 PolarHBondContact OD1-N 3.43Å; L629-K633 WeakPolarHBondContact O-CE 3.36Å; L629-K633 PolarHBondContact O-NZ 3.47Å
630	N	92.8	Very high	94.2	Very high	29 Å²	29	53.4 Å²	53.4	16%	0.155	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-12.2	-176	-68.9	-43.8	0	0	0	113.7	D627 C632 K633	D627-N630 PolarHBondContact O-N 2.91Å; D627-N630 WeakPolarHBondContact OD1-CB 2.74Å; D627-N630 PolarHBondContact OD1-N 3.1Å; D627-N630 PolarHBondContact OD1-ND2 3.26Å; D627-N630 PolarHBondContact OD2-ND2 2.98Å; N630-C632 PolarHBondContact O-N 3.14Å; N630-K633 PolarHBondContact O-N 2.94Å
631	I	94.9	Very high	94.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.6	178	-167.5	62.6	0	0	0	115	Y535 F592 V624 V626 D627 H628	Y535-I631 HydrophobicContact CD1-CG1 4.17Å; Y535-I631 VanDerWaalsContact CD1-O 3.27Å; Y535-I631 WeakPolarHBondContact CD1-O 3.14Å; Y535-I631 WeakPolarHBondContact CE1-O 3.26Å; F592-I631 HydrophobicContact CB-CD1 4.17Å; F592-I631 HydrophobicContact CB-CG1 4.29Å; V624-I631 HydrophobicContact CB-CD1 3.64Å; V624-I631 HydrophobicContact CG1-CD1 4.27Å; V624-I631 HydrophobicContact CG2-CD1 3.99Å; V626-I631 HydrophobicContact CG2-CB 3.93Å; V626-I631 HydrophobicContact CG2-CD1 3.33Å; V626-I631 HydrophobicContact CG2-CG1 4.21Å; D627-I631 PolarHBondContact O-N 3.11Å; H628-I631 VanDerWaalsContact O-CG2 3.3Å; H628-I631 WeakPolarHBondContact O-CG2 3.2Å
632	C	94.7	Very high	94.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.1	178.9	57.9	0	0	0	0	113.8	T412 W413 W437 Y535 N630 P634	T412-C632 VanDerWaalsContact CG2-SG 3.57Å; T412-C632 PolarHBondContact O-SG 3.21Å; W413-C632 HydrophobicContact CE3-CB 4.16Å; W413-C632 HydrophobicContact CZ3-CB 3.8Å; W437-C632 PolarHBondContact NE1-O 3.16Å; W437-C632 VanDerWaalsContact NE1-O 3.12Å; Y535-C632 HydrophobicContact CD1-CB 4.39Å; Y535-C632 HydrophobicContact CD2-CB 4.02Å; Y535-C632 HydrophobicContact CE2-CB 4.35Å; Y535-C632 HydrophobicContact CG-CB 4.02Å; N630-C632 PolarHBondContact O-N 3.14Å; C632-P634 WeakPolarHBondContact O-CD 3.38Å
633	K	95.8	Very high	94.1	Very high	14 Å²	14	53.8 Å²	53.8	6%	0.061	25%	0.254	C	S	.	.			trans	-118.3	86.2	-178.9	-59.1	-175.7	-165.9	154.8	0	109.5	R414 K416 L629 N630 E635	R414-K633 HydrophobicContact CG-CD 4.01Å; R414-K633 HydrophobicContact CG-CG 4.46Å; R414-K633 WeakPolarHBondContact O-CA 3.34Å; R414-K633 VanDerWaalsContact O-CB 3.26Å; R414-K633 WeakPolarHBondContact O-CB 3.23Å; R414-K633 WeakPolarHBondContact O-CG 3.48Å; K416-K633 HydrophobicContact CB-CB 4.3Å; L629-K633 WeakPolarHBondContact O-CE 3.36Å; L629-K633 PolarHBondContact O-NZ 3.47Å; N630-K633 PolarHBondContact O-N 2.94Å; K633-E635 PolarHBondContact O-N 3.33Å
634	P	95.3	Very high	94.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	23%	0.231	C	C	.	.			trans	-60.5	140.3	176.1	-8.9	22.1	0	0	0	109.6	K416 W437 W441 C632 K636 S639 L641	K416-P634 PolarHBondContact N-O 2.71Å; W437-P634 VanDerWaalsContact CD1-CD 3.48Å; W437-P634 HydrophobicContact CD2-CG 4.36Å; W437-P634 HydrophobicContact CG-CG 4.39Å; W441-P634 HydrophobicContact CZ3-CB 4.15Å; W441-P634 HydrophobicContact CZ3-CG 4.5Å; C632-P634 WeakPolarHBondContact O-CD 3.38Å; P634-K636 VanDerWaalsContact C-N 3.33Å; P634-S639 WeakPolarHBondContact CB-OG 3.45Å; P634-L641 HydrophobicContact CB-CB 4.12Å; P634-L641 HydrophobicContact CG-CB 4.3Å
635	E	92.6	Very high	94.2	Very high	94 Å²	94	48 Å²	48	44%	0.439	23%	0.226	S	C	.	.	S	Bend	trans	-71	-32	-175.7	-178.6	167.4	-105.7	0	0	112.5	Q415 K416 K633	Q415-E635 VanDerWaalsContact CG-O 3.31Å; Q415-E635 WeakPolarHBondContact CG-O 2.98Å; Q415-E635 PolarHBondContact NE2-O 3.35Å; K416-E635 HydrophobicContact CB-CB 4.36Å; K416-E635 HydrophobicContact CD-CB 4.31Å; K416-E635 IonicContact NZ-OE1 2.73Å; K416-E635 PolarHBondContact NZ-OE1 3.08Å; K633-E635 PolarHBondContact O-N 3.33Å
636	K	92.8	Very high	94.4	Very high	93 Å²	93	43.7 Å²	43.7	40%	0.404	20%	0.204	S	C	.	.	S	Bend	trans	-161.5	165.2	-178.2	43	176.8	-163.9	151.1	0	110.2	P634 D638 S639	P634-K636 VanDerWaalsContact C-N 3.33Å; K636-D638 WeakPolarHBondContact CD-OD1 3.49Å; K636-D638 WeakPolarHBondContact CE-OD1 3.28Å; K636-D638 WeakPolarHBondContact CE-OD2 3.5Å; K636-D638 WeakPolarHBondContact CG-OD1 3.38Å; K636-D638 IonicContact NZ-OD1 3.69Å; K636-D638 PolarHBondContact NZ-OD1 3.11Å; K636-D638 IonicContact NZ-OD2 2.78Å; K636-D638 PolarHBondContact NZ-OD2 2.89Å; K636-D638 PolarHBondContact O-N 3.27Å; K636-S639 WeakPolarHBondContact O-CB 3.05Å; K636-S639 PolarHBondContact O-N 2.62Å; K636-S639 PolarHBondContact O-OG 3.34Å
637	K	91.9	Very high	94.6	Very high	82 Å²	82	46.8 Å²	46.8	36%	0.357	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.8	-177	-168.6	177.5	179.7	-177.9	0	113.7	W441 D445 Y642	W441-K637 HydrophobicContact CB-CD 4.27Å; W441-K637 HydrophobicContact CB-CG 4.21Å; W441-K637 HydrophobicContact CD2-CB 3.95Å; W441-K637 HydrophobicContact CD2-CG 4.22Å; W441-K637 HydrophobicContact CE3-CB 4.29Å; W441-K637 HydrophobicContact CG-CB 4.21Å; W441-K637 HydrophobicContact CG-CD 4.15Å; W441-K637 HydrophobicContact CG-CG 4.03Å; D445-K637 VanDerWaalsContact CG-CE 3.49Å; D445-K637 WeakPolarHBondContact OD1-CE 3.32Å; D445-K637 IonicContact OD1-NZ 3.59Å; D445-K637 PolarHBondContact OD1-NZ 3.22Å; D445-K637 WeakPolarHBondContact OD2-CE 3.48Å; D445-K637 IonicContact OD2-NZ 3.64Å; D445-K637 PolarHBondContact OD2-NZ 3.1Å; K637-Y642 HydrophobicContact CG-CD1 4.06Å; K637-Y642 HydrophobicContact CG-CE1 3.73Å; K637-Y642 WeakPolarHBondContact O-CD1 3.33Å
638	D	92.1	Very high	94.9	Very high	68 Å²	68	45.3 Å²	45.3	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.5	176.4	66.5	-23.4	0	0	0	113.8	K636 R643	K636-D638 WeakPolarHBondContact CD-OD1 3.49Å; K636-D638 WeakPolarHBondContact CE-OD1 3.28Å; K636-D638 WeakPolarHBondContact CE-OD2 3.5Å; K636-D638 WeakPolarHBondContact CG-OD1 3.38Å; K636-D638 IonicContact NZ-OD1 3.69Å; K636-D638 PolarHBondContact NZ-OD1 3.11Å; K636-D638 IonicContact NZ-OD2 2.78Å; K636-D638 PolarHBondContact NZ-OD2 2.89Å; K636-D638 PolarHBondContact O-N 3.27Å; D638-R643 WeakPolarHBondContact O-CD 3.35Å; D638-R643 PolarHBondContact O-NE 2.87Å
639	S	94.3	Very high	95.2	Very high	18 Å²	18	44.8 Å²	44.8	13%	0.126	21%	0.205	C	C	.	.	S	Bend	trans	-63.4	150.2	179.4	67.6	0	0	0	0	112.3	P634 K636 L641 Y642 R643	P634-S639 WeakPolarHBondContact CB-OG 3.45Å; K636-S639 WeakPolarHBondContact O-CB 3.05Å; K636-S639 PolarHBondContact O-N 2.62Å; K636-S639 PolarHBondContact O-OG 3.34Å; S639-L641 VanDerWaalsContact C-N 3.3Å; S639-L641 PolarHBondContact O-N 3.18Å; S639-Y642 PolarHBondContact O-N 3.32Å; S639-R643 PolarHBondContact O-N 2.84Å
640	F	96.1	Very high	95.6	Very high	116 Å²	116	44.8 Å²	44.8	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-54.1	-45.8	-179.9	171.4	-100	0	0	0	112.6	F592 I622 V624 Y642 R643 R644	F592-F640 HydrophobicContact CE1-CE1 4.21Å; I622-F640 HydrophobicContact CD1-CZ 4.2Å; I622-F640 HydrophobicContact CG2-CE1 3.71Å; I622-F640 HydrophobicContact CG2-CZ 3.76Å; V624-F640 HydrophobicContact CG2-CE1 4.41Å; F640-Y642 PolarHBondContact O-N 3.07Å; F640-R643 PolarHBondContact O-N 3.46Å; F640-R644 HydrophobicContact CE2-CB 4.39Å; F640-R644 HydrophobicContact CZ-CB 4.35Å; F640-R644 HydrophobicContact CZ-CG 4.47Å; F640-R644 WeakPolarHBondContact O-CB 3.5Å; F640-R644 PolarHBondContact O-N 3.21Å
641	L	95.8	Very high	95.8	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-50.5	179.8	-79.5	172.6	0	0	0	111.4	Y535 F592 V624 P634 S639 S645	Y535-L641 HydrophobicContact CE1-CD2 4.31Å; F592-L641 HydrophobicContact CD1-CD2 4.11Å; F592-L641 HydrophobicContact CE1-CD2 4.19Å; V624-L641 HydrophobicContact CG1-CD1 4.38Å; V624-L641 HydrophobicContact CG1-CD2 4.06Å; V624-L641 HydrophobicContact CG1-CG 4.2Å; V624-L641 HydrophobicContact CG2-CD2 3.99Å; P634-L641 HydrophobicContact CB-CB 4.12Å; P634-L641 HydrophobicContact CG-CB 4.3Å; S639-L641 VanDerWaalsContact C-N 3.3Å; S639-L641 PolarHBondContact O-N 3.18Å; L641-S645 VanDerWaalsContact O-CB 3.27Å; L641-S645 WeakPolarHBondContact O-CB 3.39Å; L641-S645 PolarHBondContact O-N 3.32Å; L641-S645 VanDerWaalsContact O-N 3.15Å; L641-S645 PolarHBondContact O-OG 3.46Å
642	Y	97.5	Very high	95.8	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-67.1	-48.9	-179.8	179.3	-100.7	0	0	0	111.9	W437 W441 L442 D445 K637 S639 F640 R644 S645 L646	W437-Y642 HydrophobicContact CD2-CD2 4.48Å; W437-Y642 AromaticContact CE3-CD2 3.75Å; W437-Y642 HydrophobicContact CE3-CD2 3.75Å; W437-Y642 AromaticContact CE3-CE2 3.74Å; W437-Y642 HydrophobicContact CE3-CE2 3.74Å; W437-Y642 HydrophobicContact CZ3-CD2 4.02Å; W437-Y642 HydrophobicContact CZ3-CE2 4Å; W441-Y642 HydrophobicContact CB-CE1 4.3Å; W441-Y642 HydrophobicContact CB-CE2 3.73Å; W441-Y642 WeakPolarHBondContact CB-OH 3.33Å; W441-Y642 AromaticContact CE3-CD2 3.92Å; W441-Y642 HydrophobicContact CE3-CD2 3.92Å; W441-Y642 HydrophobicContact CE3-CE2 4.22Å; W441-Y642 HydrophobicContact CE3-CG 4.17Å; W441-Y642 PolarHBondContact O-OH 2.79Å; W441-Y642 VanDerWaalsContact O-OH 3.08Å; L442-Y642 WeakPolarHBondContact CA-OH 3.26Å; L442-Y642 PolarHBondContact N-OH 3.46Å; D445-Y642 WeakPolarHBondContact OD2-CE1 3.33Å; D445-Y642 PolarHBondContact OD2-OH 2.77Å; K637-Y642 HydrophobicContact CG-CD1 4.06Å; K637-Y642 HydrophobicContact CG-CE1 3.73Å; K637-Y642 WeakPolarHBondContact O-CD1 3.33Å; S639-Y642 PolarHBondContact O-N 3.32Å; F640-Y642 PolarHBondContact O-N 3.07Å; Y642-R644 PolarHBondContact O-N 2.93Å; Y642-S645 WeakPolarHBondContact O-CB 3.32Å; Y642-S645 PolarHBondContact O-N 2.84Å; Y642-S645 VanDerWaalsContact O-N 3.15Å; Y642-L646 HydrophobicContact CE1-CB 4.44Å; Y642-L646 HydrophobicContact CE1-CD2 4.04Å; Y642-L646 WeakPolarHBondContact O-CB 3.49Å; Y642-L646 PolarHBondContact O-N 3.29Å
643	R	97.8	Very high	95.8	Very high	153 Å²	153	46.7 Å²	46.7	58%	0.577	21%	0.211	S	C	*	.	H	α-helix	trans	-58.3	-45.9	-178.1	-74.9	-177.3	170.7	170.5	-0.2	112.5	D638 S639 F640 S645 L646 Q647	D638-R643 WeakPolarHBondContact O-CD 3.35Å; D638-R643 PolarHBondContact O-NE 2.87Å; S639-R643 PolarHBondContact O-N 2.84Å; F640-R643 PolarHBondContact O-N 3.46Å; R643-S645 VanDerWaalsContact C-N 3.33Å; R643-S645 PolarHBondContact O-N 3.32Å; R643-L646 PolarHBondContact O-N 3.41Å; R643-Q647 VanDerWaalsContact O-CB 3.31Å; R643-Q647 WeakPolarHBondContact O-CB 3.46Å; R643-Q647 PolarHBondContact O-N 3.08Å
644	R	97.8	Very high	95.6	Very high	33 Å²	33	52.4 Å²	52.4	13%	0.125	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-37.8	178.5	-178	64.4	-169.6	109.5	-8.4	111.8	L590 F592 E620 I622 F640 Y642 Q647 F648 E651	L590-R644 HydrophobicContact CD2-CG 4.11Å; F592-R644 HydrophobicContact CE1-CG 4.16Å; F592-R644 HydrophobicContact CZ-CB 4.14Å; F592-R644 HydrophobicContact CZ-CG 3.78Å; E620-R644 IonicContact OE2-CZ 3.25Å; E620-R644 IonicContact OE2-NE 2.76Å; E620-R644 PolarHBondContact OE2-NE 3.49Å; E620-R644 IonicContact OE2-NH2 3.85Å; E620-R644 PolarHBondContact OE2-NH2 3.02Å; I622-R644 HydrophobicContact CD1-CG 3.8Å; F640-R644 HydrophobicContact CE2-CB 4.39Å; F640-R644 HydrophobicContact CZ-CB 4.35Å; F640-R644 HydrophobicContact CZ-CG 4.47Å; F640-R644 WeakPolarHBondContact O-CB 3.5Å; F640-R644 PolarHBondContact O-N 3.21Å; Y642-R644 PolarHBondContact O-N 2.93Å; R644-Q647 PolarHBondContact O-N 2.62Å; R644-F648 WeakPolarHBondContact O-CB 3.29Å; R644-F648 PolarHBondContact O-N 3.24Å; R644-E651 IonicContact NH1-OE2 3.86Å
645	S	98	Very high	95	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-46.7	177.1	-58.4	0	0	0	0	112.1	Y535 L641 Y642 R643 F648 I649	Y535-S645 PolarHBondContact OH-OG 3.25Å; L641-S645 VanDerWaalsContact O-CB 3.27Å; L641-S645 WeakPolarHBondContact O-CB 3.39Å; L641-S645 PolarHBondContact O-N 3.32Å; L641-S645 VanDerWaalsContact O-N 3.15Å; L641-S645 PolarHBondContact O-OG 3.46Å; Y642-S645 WeakPolarHBondContact O-CB 3.32Å; Y642-S645 PolarHBondContact O-N 2.84Å; Y642-S645 VanDerWaalsContact O-N 3.15Å; R643-S645 VanDerWaalsContact C-N 3.33Å; R643-S645 PolarHBondContact O-N 3.32Å; S645-F648 PolarHBondContact O-N 2.96Å; S645-I649 VanDerWaalsContact O-CG1 3.32Å; S645-I649 WeakPolarHBondContact O-CG1 3.48Å; S645-I649 PolarHBondContact O-N 3.11Å
646	L	98	Very high	94.6	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-48	174.7	176.8	63.4	0	0	0	111	L442 D445 Y642 R643 F648 I649 Q650	L442-L646 HydrophobicContact CD1-CD1 3.88Å; D445-L646 HydrophobicContact CB-CD1 4.03Å; D445-L646 HydrophobicContact CB-CD2 4.08Å; Y642-L646 HydrophobicContact CE1-CB 4.44Å; Y642-L646 HydrophobicContact CE1-CD2 4.04Å; Y642-L646 WeakPolarHBondContact O-CB 3.49Å; Y642-L646 PolarHBondContact O-N 3.29Å; R643-L646 PolarHBondContact O-N 3.41Å; L646-F648 VanDerWaalsContact C-N 3.34Å; L646-F648 PolarHBondContact O-N 2.9Å; L646-I649 PolarHBondContact O-N 3.04Å; L646-Q650 HydrophobicContact CD1-CG 4.31Å; L646-Q650 WeakPolarHBondContact O-CG 3.15Å; L646-Q650 PolarHBondContact O-N 3.08Å
647	Q	97.8	Very high	93.9	Very high	92 Å²	92	54.7 Å²	54.7	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-56.5	-47.4	177.1	179.5	-176.4	5.2	0	0	111.4	R643 R644 I649 Q650 E651	R643-Q647 VanDerWaalsContact O-CB 3.31Å; R643-Q647 WeakPolarHBondContact O-CB 3.46Å; R643-Q647 PolarHBondContact O-N 3.08Å; R644-Q647 PolarHBondContact O-N 2.62Å; Q647-I649 PolarHBondContact O-N 3.29Å; Q647-Q650 PolarHBondContact O-N 3.35Å; Q647-E651 HydrophobicContact CG-CG 4.31Å; Q647-E651 WeakPolarHBondContact CG-OE1 3.18Å; Q647-E651 PolarHBondContact NE2-OE1 3.48Å; Q647-E651 WeakPolarHBondContact O-CB 3.15Å; Q647-E651 VanDerWaalsContact O-CG 3.25Å; Q647-E651 WeakPolarHBondContact O-CG 3.33Å; Q647-E651 PolarHBondContact O-N 2.64Å
648	F	98.1	Very high	92.3	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-45	178.4	175.8	-98.2	0	0	0	112.5	V498 I532 M533 K588 L590 R644 S645 L646 Q650 E651 A652	V498-F648 HydrophobicContact CG1-CE1 4.22Å; I532-F648 WeakPolarHBondContact O-CZ 3.12Å; M533-F648 HydrophobicContact CB-CD1 4.1Å; M533-F648 HydrophobicContact CB-CE1 3.96Å; M533-F648 HydrophobicContact SD-CD1 4.37Å; K588-F648 HydrophobicContact CB-CE2 4.04Å; K588-F648 HydrophobicContact CB-CZ 4.22Å; L590-F648 HydrophobicContact CB-CD1 4.43Å; L590-F648 HydrophobicContact CB-CD2 3.56Å; L590-F648 HydrophobicContact CB-CE1 4.45Å; L590-F648 HydrophobicContact CB-CE2 3.57Å; L590-F648 HydrophobicContact CB-CG 4Å; L590-F648 HydrophobicContact CB-CZ 4.03Å; L590-F648 HydrophobicContact CD2-CB 3.7Å; L590-F648 HydrophobicContact CD2-CD2 3.99Å; L590-F648 HydrophobicContact CD2-CG 3.82Å; L590-F648 HydrophobicContact CG-CD2 4.4Å; R644-F648 WeakPolarHBondContact O-CB 3.29Å; R644-F648 PolarHBondContact O-N 3.24Å; S645-F648 PolarHBondContact O-N 2.96Å; L646-F648 VanDerWaalsContact C-N 3.34Å; L646-F648 PolarHBondContact O-N 2.9Å; F648-Q650 VanDerWaalsContact C-N 3.31Å; F648-Q650 PolarHBondContact O-N 2.66Å; F648-E651 PolarHBondContact O-N 2.99Å; F648-A652 VanDerWaalsContact O-CB 3.28Å; F648-A652 WeakPolarHBondContact O-CB 3.39Å; F648-A652 PolarHBondContact O-N 3.49Å
649	I	97.9	Very high	90	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-45.2	177.7	-68.9	164.9	0	0	0	110.1	V399 L442 L449 V498 S645 L646 Q647 A652 L653	V399-I649 HydrophobicContact CG1-CD1 4.22Å; V399-I649 HydrophobicContact CG2-CG2 4Å; L442-I649 HydrophobicContact CD1-CD1 4.05Å; L442-I649 HydrophobicContact CD2-CD1 4.12Å; L449-I649 HydrophobicContact CD1-CG2 3.99Å; V498-I649 HydrophobicContact CG1-CG1 4.15Å; S645-I649 VanDerWaalsContact O-CG1 3.32Å; S645-I649 WeakPolarHBondContact O-CG1 3.48Å; S645-I649 PolarHBondContact O-N 3.11Å; L646-I649 PolarHBondContact O-N 3.04Å; Q647-I649 PolarHBondContact O-N 3.29Å; I649-A652 PolarHBondContact O-N 2.91Å; I649-L653 HydrophobicContact CG2-CD1 3.97Å; I649-L653 WeakPolarHBondContact O-CB 3.43Å; I649-L653 WeakPolarHBondContact O-CG 3.22Å; I649-L653 PolarHBondContact O-N 3.16Å
650	Q	96.5	Very high	89.8	Confident	94 Å²	94	63.9 Å²	63.9	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-46.9	177.9	-71	175.6	-22.7	0	0	111.7	L646 Q647 F648 A652 L653 Q654	L646-Q650 HydrophobicContact CD1-CG 4.31Å; L646-Q650 WeakPolarHBondContact O-CG 3.15Å; L646-Q650 PolarHBondContact O-N 3.08Å; Q647-Q650 PolarHBondContact O-N 3.35Å; F648-Q650 VanDerWaalsContact C-N 3.31Å; F648-Q650 PolarHBondContact O-N 2.66Å; Q650-A652 VanDerWaalsContact C-N 3.34Å; Q650-A652 PolarHBondContact O-N 3.44Å; Q650-L653 CarbonylContact O-C 3.57Å; Q650-L653 PolarHBondContact O-N 3.3Å; Q650-Q654 WeakPolarHBondContact O-CA 3.32Å; Q650-Q654 WeakPolarHBondContact O-CB 3.45Å; Q650-Q654 PolarHBondContact O-N 3.35Å
651	E	95.6	Very high	89.5	Confident	66 Å²	66	61.1 Å²	61.1	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-37.2	178	-74.1	168.5	175.1	0	0	112.8	K588 R644 Q647 F648 L653	K588-E651 PolarHBondContact NZ-O 2.82Å; R644-E651 IonicContact NH1-OE2 3.86Å; Q647-E651 HydrophobicContact CG-CG 4.31Å; Q647-E651 WeakPolarHBondContact CG-OE1 3.18Å; Q647-E651 PolarHBondContact NE2-OE1 3.48Å; Q647-E651 WeakPolarHBondContact O-CB 3.15Å; Q647-E651 VanDerWaalsContact O-CG 3.25Å; Q647-E651 WeakPolarHBondContact O-CG 3.33Å; Q647-E651 PolarHBondContact O-N 2.64Å; F648-E651 PolarHBondContact O-N 2.99Å; E651-L653 VanDerWaalsContact C-N 3.28Å; E651-L653 PolarHBondContact O-N 3.03Å
652	A	95.8	Very high	89.1	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-67.9	-30	176.8	0	0	0	0	0	112.3	V498 K588 F648 I649 Q650	V498-A652 HydrophobicContact CG2-CB 3.87Å; K588-A652 HydrophobicContact CD-CB 4.49Å; F648-A652 VanDerWaalsContact O-CB 3.28Å; F648-A652 WeakPolarHBondContact O-CB 3.39Å; F648-A652 PolarHBondContact O-N 3.49Å; I649-A652 PolarHBondContact O-N 2.91Å; Q650-A652 VanDerWaalsContact C-N 3.34Å; Q650-A652 PolarHBondContact O-N 3.44Å
653	L	95.3	Very high	88.6	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-105.1	-10.7	-174.7	-65.2	173.4	0	0	0	114.4	A397 L449 P496 V498 I649 Q650 E651 Q655 F656 I657	A397-L653 HydrophobicContact CB-CD1 3.88Å; A397-L653 HydrophobicContact CB-CD2 3.71Å; A397-L653 HydrophobicContact CB-CG 4.38Å; L449-L653 HydrophobicContact CD1-CD1 4.29Å; L449-L653 HydrophobicContact CD2-CD1 3.83Å; P496-L653 HydrophobicContact CB-CD2 3.74Å; V498-L653 HydrophobicContact CG2-CD1 3.92Å; V498-L653 HydrophobicContact CG2-CD2 3.8Å; V498-L653 HydrophobicContact CG2-CG 3.68Å; I649-L653 HydrophobicContact CG2-CD1 3.97Å; I649-L653 WeakPolarHBondContact O-CB 3.43Å; I649-L653 WeakPolarHBondContact O-CG 3.22Å; I649-L653 PolarHBondContact O-N 3.16Å; Q650-L653 CarbonylContact O-C 3.57Å; Q650-L653 PolarHBondContact O-N 3.3Å; E651-L653 VanDerWaalsContact C-N 3.28Å; E651-L653 PolarHBondContact O-N 3.03Å; L653-Q655 VanDerWaalsContact C-N 3.27Å; L653-Q655 PolarHBondContact O-N 3.46Å; L653-Q655 VanDerWaalsContact O-N 3.14Å; L653-F656 PolarHBondContact O-N 3.14Å; L653-I657 HydrophobicContact CB-CD1 3.53Å; L653-I657 HydrophobicContact CB-CG1 4.01Å; L653-I657 HydrophobicContact CD1-CD1 3.95Å; L653-I657 HydrophobicContact CG-CD1 4.25Å; L653-I657 PolarHBondContact O-N 3.29Å
654	Q	90.3	Very high	88.1	Confident	133 Å²	133	61.9 Å²	61.9	62%	0.621	30%	0.302	S	S	*	.	H	α-helix	trans	-51.4	-43.7	-172.3	-171.6	177.8	13.4	0	0	113	Q650 F656 S658	Q650-Q654 WeakPolarHBondContact O-CA 3.32Å; Q650-Q654 WeakPolarHBondContact O-CB 3.45Å; Q650-Q654 PolarHBondContact O-N 3.35Å; Q654-F656 VanDerWaalsContact C-N 3.26Å; Q654-F656 PolarHBondContact O-N 3.39Å; Q654-S658 WeakPolarHBondContact O-CB 3.3Å; Q654-S658 PolarHBondContact O-N 3.36Å; Q654-S658 PolarHBondContact O-OG 3.4Å
655	Q	83.7	Confident	87.4	Confident	129 Å²	129	63.9 Å²	63.9	60%	0.603	31%	0.314	S	S	*	.	H	α-helix	trans	-72.2	-17.6	-178.4	-65.3	177.4	-4	0	0	113.6	L653	L653-Q655 VanDerWaalsContact C-N 3.27Å; L653-Q655 PolarHBondContact O-N 3.46Å; L653-Q655 VanDerWaalsContact O-N 3.14Å
656	F	82.9	Confident	86.6	Confident	77 Å²	77	68.4 Å²	68.4	34%	0.338	34%	0.336	S	S	.	.	H	α-helix	trans	-108.1	-19.6	-173.5	-51.7	-74.8	0	0	0	113.4	P496 K530 L653 Q654	P496-F656 HydrophobicContact CB-CB 4.24Å; P496-F656 HydrophobicContact CB-CG 4.42Å; P496-F656 HydrophobicContact CG-CB 3.65Å; P496-F656 HydrophobicContact CG-CD1 4.49Å; P496-F656 HydrophobicContact CG-CG 4.06Å; K530-F656 HydrophobicContact CB-CD2 4.5Å; K530-F656 HydrophobicContact CB-CE2 4.05Å; K530-F656 HydrophobicContact CD-CD2 4.34Å; K530-F656 HydrophobicContact CD-CE1 4.22Å; K530-F656 HydrophobicContact CD-CE2 3.64Å; K530-F656 HydrophobicContact CD-CZ 3.58Å; K530-F656 VanDerWaalsContact CE-CZ 3.45Å; K530-F656 HydrophobicContact CG-CD2 3.87Å; K530-F656 HydrophobicContact CG-CE2 3.54Å; K530-F656 HydrophobicContact CG-CZ 4.02Å; L653-F656 PolarHBondContact O-N 3.14Å; Q654-F656 VanDerWaalsContact C-N 3.26Å; Q654-F656 PolarHBondContact O-N 3.39Å
657	I	77.9	Confident	85.8	Confident	31 Å²	31	71.7 Å²	71.7	16%	0.159	35%	0.352	C	S	.	.	H	α-helix	trans	-99.5	-22.3	-177.5	-67.9	-173.9	0	0	0	112.7	K396 A397 N448 L449 L653 Q659	K396-I657 HydrophobicContact CB-CG1 4.08Å; K396-I657 HydrophobicContact CD-CB 4.4Å; K396-I657 HydrophobicContact CD-CG2 3.77Å; K396-I657 PolarHBondContact NZ-O 3.04Å; A397-I657 HydrophobicContact CB-CD1 4.04Å; A397-I657 HydrophobicContact CB-CG1 4.41Å; N448-I657 VanDerWaalsContact ND2-CG2 3.3Å; N448-I657 WeakPolarHBondContact ND2-CG2 3.43Å; L449-I657 HydrophobicContact CD2-CD1 3.48Å; L449-I657 VanDerWaalsContact CD2-CD1 3.48Å; L653-I657 HydrophobicContact CB-CD1 3.53Å; L653-I657 HydrophobicContact CB-CG1 4.01Å; L653-I657 HydrophobicContact CD1-CD1 3.95Å; L653-I657 HydrophobicContact CG-CD1 4.25Å; L653-I657 PolarHBondContact O-N 3.29Å; I657-Q659 VanDerWaalsContact C-N 3.29Å; I657-Q659 PolarHBondContact O-N 3.48Å
658	S	60.3	Low	84.8	Confident	95 Å²	95	70 Å²	70	66%	0.664	35%	0.345	S	S	*	.			trans	-81.5	-4.4	-178.8	53	0	0	0	0	114.6	Q654	Q654-S658 WeakPolarHBondContact O-CB 3.3Å; Q654-S658 PolarHBondContact O-N 3.36Å; Q654-S658 PolarHBondContact O-OG 3.4Å
659	Q	43	Very low	83.6	Confident	201 Å²	201	75.6 Å²	75.6	94%	0.939	37%	0.374	S	S	*	.			trans	-95.5	0	165.5	-61.9	-179.8	4.5	0	0	109.7	K396 I657	K396-Q659 PolarHBondContact NZ-OXT 3.05Å; I657-Q659 VanDerWaalsContact C-N 3.29Å; I657-Q659 PolarHBondContact O-N 3.48Å

Retrieved 659 of 659 residues in 1076.1 ms (Link to these results)

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