A0A096NJ31_PAPAN Loading...

G protein-activated inward rectifier potassium channel 2

AlphaFold DB (P48051), UniProt , Accession A0A096NJ31, Species PAPAN (Papio anubis, Olive baboon), Gene KCNJ6, Length 423 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	43.8	Very low	40.5	Very low	208 Å²	208	111.1 Å²	111.1	100%	1.025	60%	0.602	S	S	*	*				0	-48.4	0	-72	-135.3	-162.8	0	0	112.8	K3 L4 T5	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.23Å; M1-L4 PolarHBondContact O-N 2.61Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-T5 PolarHBondContact O-N 3.36Å; M1-T5 PolarHBondContact O-OG1 3.27Å
2	A	38.3	Very low	40.4	Very low	77 Å²	77	110.8 Å²	110.8	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-55.6	-38.9	176.1	0	0	0	0	0	114.9	L4 T5 E6	A2-L4 PolarHBondContact O-N 2.88Å; A2-T5 PolarHBondContact O-OG1 3.26Å; A2-E6 PolarHBondContact O-N 2.87Å; A2-E6 VanDerWaalsContact O-N 3.16Å
3	K	38.7	Very low	40	Very low	175 Å²	175	114.5 Å²	114.5	76%	0.761	61%	0.61	S	S	*	*	H	α-helix	trans	-72.2	-21.7	178.2	-73.4	-174.6	174.6	-176.4	0	115.4	M1 S7	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.23Å; K3-S7 PolarHBondContact O-N 3.26Å
4	L	39.9	Very low	39.2	Very low	131 Å²	131	110.5 Å²	110.5	69%	0.686	61%	0.61	S	S	*	*	H	α-helix	trans	-81	-34.8	177.8	-92.6	150.7	0	0	0	111.1	M1 A2 M8	M1-L4 PolarHBondContact O-N 2.61Å; M1-L4 VanDerWaalsContact O-N 3.15Å; A2-L4 PolarHBondContact O-N 2.88Å; L4-M8 PolarHBondContact O-N 2.91Å
5	T	46.7	Very low	38.6	Very low	62 Å²	62	110.7 Å²	110.7	38%	0.38	61%	0.609	S	S	.	*	H	α-helix	trans	-68.9	-38.8	169.9	27.2	0	0	0	0	112.6	M1 A2 S7 M8 T9	M1-T5 PolarHBondContact O-N 3.36Å; M1-T5 PolarHBondContact O-OG1 3.27Å; A2-T5 PolarHBondContact O-OG1 3.26Å; T5-S7 VanDerWaalsContact C-N 3.31Å; T5-S7 PolarHBondContact O-N 3.12Å; T5-M8 PolarHBondContact O-N 3.03Å; T5-M8 VanDerWaalsContact O-N 3.13Å; T5-T9 PolarHBondContact O-N 2.96Å; T5-T9 VanDerWaalsContact O-N 3.13Å; T5-T9 PolarHBondContact O-OG1 2.96Å
6	E	38.5	Very low	38	Very low	117 Å²	117	111.7 Å²	111.7	55%	0.547	63%	0.627	S	S	.	*	H	α-helix	trans	-63.2	-36.4	175.7	-124.4	169.2	-176.8	0	0	112.2	A2 T9 N10	A2-E6 PolarHBondContact O-N 2.87Å; A2-E6 VanDerWaalsContact O-N 3.16Å; E6-T9 WeakPolarHBondContact CA-OG1 3.28Å; E6-T9 PolarHBondContact O-N 3.39Å; E6-T9 PolarHBondContact O-OG1 2.85Å; E6-N10 WeakPolarHBondContact O-CB 3.39Å; E6-N10 PolarHBondContact O-N 3.41Å
7	S	39.8	Very low	37.4	Very low	64 Å²	64	115.2 Å²	115.2	45%	0.448	64%	0.64	S	S	.	*	H	α-helix	trans	-67.8	-31.7	173.3	178	0	0	0	0	113	K3 T5 V11	K3-S7 PolarHBondContact O-N 3.26Å; T5-S7 VanDerWaalsContact C-N 3.31Å; T5-S7 PolarHBondContact O-N 3.12Å; S7-V11 WeakPolarHBondContact O-CB 3.43Å; S7-V11 WeakPolarHBondContact O-CG2 3.45Å; S7-V11 PolarHBondContact O-N 3.38Å
8	M	40.1	Very low	37.1	Very low	128 Å²	128	118.3 Å²	118.3	63%	0.631	66%	0.655	S	S	*	*	H	α-helix	trans	-77.8	-28.3	177.5	-71.3	-177.2	82.2	0	0	112.3	L4 T5	L4-M8 PolarHBondContact O-N 2.91Å; T5-M8 PolarHBondContact O-N 3.03Å; T5-M8 VanDerWaalsContact O-N 3.13Å
9	T	41.4	Very low	36.7	Very low	84 Å²	84	121.8 Å²	121.8	52%	0.515	67%	0.666	S	S	.	*	H	α-helix	trans	-75.1	-38.9	170.7	28.9	0	0	0	0	112.9	T5 E6 V11 L12	T5-T9 PolarHBondContact O-N 2.96Å; T5-T9 VanDerWaalsContact O-N 3.13Å; T5-T9 PolarHBondContact O-OG1 2.96Å; E6-T9 WeakPolarHBondContact CA-OG1 3.28Å; E6-T9 PolarHBondContact O-N 3.39Å; E6-T9 PolarHBondContact O-OG1 2.85Å; T9-V11 VanDerWaalsContact C-N 3.35Å; T9-V11 PolarHBondContact O-N 2.89Å; T9-L12 PolarHBondContact O-N 2.8Å
10	N	36.4	Very low	36.2	Very low	99 Å²	99	124 Å²	124	53%	0.529	68%	0.677	S	S	.	*	H	α-helix	trans	-76.1	-19.9	178.7	-71.5	-2.4	0	0	0	113.5	E6 L12 E13	E6-N10 WeakPolarHBondContact O-CB 3.39Å; E6-N10 PolarHBondContact O-N 3.41Å; N10-L12 VanDerWaalsContact C-N 3.27Å; N10-E13 PolarHBondContact O-N 2.91Å
11	V	41.5	Very low	36.3	Very low	77 Å²	77	124.4 Å²	124.4	47%	0.467	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-10	172.7	170.1	0	0	0	0	112.2	S7 T9 F91	S7-V11 WeakPolarHBondContact O-CB 3.43Å; S7-V11 WeakPolarHBondContact O-CG2 3.45Å; S7-V11 PolarHBondContact O-N 3.38Å; T9-V11 VanDerWaalsContact C-N 3.35Å; T9-V11 PolarHBondContact O-N 2.89Å; V11-F91 HydrophobicContact CG1-CE1 4.06Å; V11-F91 HydrophobicContact CG1-CZ 3.79Å
12	L	40	Very low	35.7	Very low	108 Å²	108	123.2 Å²	123.2	57%	0.565	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-11.2	167.8	-68.3	169.1	0	0	0	112.7	T9 N10	T9-L12 PolarHBondContact O-N 2.8Å; N10-L12 VanDerWaalsContact C-N 3.27Å
13	E	34.6	Very low	35.2	Very low	158 Å²	158	125.5 Å²	125.5	74%	0.738	69%	0.686	S	S	*	*	S	Bend	trans	-102.6	77.5	172.9	-75.7	-177.2	141	0	0	110.4	N10	N10-E13 PolarHBondContact O-N 2.91Å
14	G	29.1	Very low	35	Very low	59 Å²	59	122.8 Å²	122.8	61%	0.608	69%	0.686	S	S	*	*			trans	167.2	64.1	178.3	0	0	0	0	0	112.2
15	D	29.9	Very low	34.7	Very low	113 Å²	113	122.8 Å²	122.8	60%	0.604	69%	0.691	S	S	*	*			trans	-173.5	71.9	163.9	-98.2	-18.2	0	0	0	107.8	R90	D15-R90 IonicContact OD2-CZ 3.2Å; D15-R90 IonicContact OD2-NH1 2.73Å; D15-R90 IonicContact OD2-NH2 3.57Å; D15-R90 PolarHBondContact OD2-NH2 3.37Å
16	S	29.9	Very low	34.1	Very low	127 Å²	127	124.6 Å²	124.6	89%	0.888	71%	0.713	S	S	*	*			trans	-111.8	79.5	158	61.7	0	0	0	0	107
17	M	27.9	Very low	34.1	Very low	172 Å²	172	126.2 Å²	126.2	85%	0.847	72%	0.724	S	S	*	*			trans	-126.7	82.2	173	-158.6	166.1	83.8	0	0	107.1
18	D	32	Very low	33.8	Very low	170 Å²	170	132.2 Å²	132.2	91%	0.909	74%	0.744	S	S	*	*			trans	-142	81.2	162.7	-83.3	-38.5	0	0	0	106
19	Q	28.6	Very low	34.1	Very low	185 Å²	185	134.4 Å²	134.4	86%	0.864	75%	0.753	S	S	*	*			trans	-119	101.4	161.8	-84.5	-172.8	-12.6	0	0	105.6
20	D	27	Very low	33.9	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	77%	0.766	S	S	*	*			trans	-163.3	77.7	163.1	-85.5	-35.4	0	0	0	109.4
21	V	37.9	Very low	34	Very low	132 Å²	132	141.5 Å²	141.5	80%	0.8	78%	0.784	S	S	*	*	S	Bend	trans	-145.4	102.9	157.8	-175.4	0	0	0	0	109.4
22	E	31.1	Very low	34.4	Very low	184 Å²	184	145.6 Å²	145.6	86%	0.86	80%	0.803	S	S	*	*			trans	45.5	110.5	149.3	-65.6	179.6	150	0	0	120.6
23	S	28.6	Very low	34.6	Very low	125 Å²	125	145.8 Å²	145.8	87%	0.874	81%	0.811	S	S	*	*			trans	-93.4	129.8	163.1	-64.2	0	0	0	0	111.4
24	P	34.8	Very low	35	Very low	118 Å²	118	148.6 Å²	148.6	77%	0.766	82%	0.82	S	S	*	*			trans	-99.5	116.1	158.4	27	-14.6	0	0	0	111.2
25	V	33.4	Very low	35.9	Very low	130 Å²	130	154.9 Å²	154.9	79%	0.788	83%	0.834	S	S	*	*			trans	30.9	104.3	146.9	-170	0	0	0	0	117.7
26	A	33.5	Very low	36.6	Very low	101 Å²	101	154.3 Å²	154.3	84%	0.835	84%	0.844	S	S	*	*			trans	-83.8	113.8	166	0	0	0	0	0	111.3
27	I	39	Very low	37.2	Very low	151 Å²	151	160 Å²	160	77%	0.774	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-80.1	121.8	168	-63.6	174.2	0	0	0	108.7	Q29	I27-Q29 PolarHBondContact O-N 3.33Å
28	H	33.8	Very low	38	Very low	189 Å²	189	159.3 Å²	159.3	88%	0.875	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-70	120.1	178.8	-125.4	33.4	0	0	0	111
29	Q	45.3	Very low	38.6	Very low	174 Å²	174	158.6 Å²	158.6	81%	0.813	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-99.9	143.7	165.8	-79.1	-172.5	-14.1	0	0	111.1	I27	I27-Q29 PolarHBondContact O-N 3.33Å
30	P	38.1	Very low	39.4	Very low	121 Å²	121	157.5 Å²	157.5	79%	0.786	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.1	140.1	-172.5	-0.1	18.4	0	0	0	111.3	L32	P30-L32 PolarHBondContact O-N 2.91Å
31	K	38.5	Very low	40	Very low	212 Å²	212	155.1 Å²	155.1	92%	0.922	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-74.3	119.5	177.8	-70.2	176	178.1	171.3	0	110.9
32	L	50.4	Low	40	Very low	162 Å²	162	160.3 Å²	160.3	85%	0.848	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.6	154.7	166.8	-95.4	108.6	0	0	0	112.4	P30	P30-L32 PolarHBondContact O-N 2.91Å
33	P	42.8	Very low	40.6	Very low	113 Å²	113	160.1 Å²	160.1	73%	0.734	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-77.4	152.2	-167.5	-7.6	25.7	0	0	0	114	Q35	P33-Q35 VanDerWaalsContact C-N 3.29Å; P33-Q35 PolarHBondContact O-N 3.38Å
34	K	42.9	Very low	41.3	Very low	216 Å²	216	161.3 Å²	161.3	94%	0.939	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	26.2	-167.3	-78.3	-178.6	170.2	-179.8	0	117.3
35	Q	48.3	Very low	41.5	Very low	192 Å²	192	160.7 Å²	160.7	90%	0.897	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	15.6	-169	-101.8	173.2	-20.2	0	0	117.2	P33	P33-Q35 VanDerWaalsContact C-N 3.29Å; P33-Q35 PolarHBondContact O-N 3.38Å
36	A	44.7	Very low	41.7	Very low	100 Å²	100	165 Å²	165	83%	0.826	84%	0.835	S	S	*	*	S	Bend	trans	-130.5	34.3	-177.6	0	0	0	0	0	114.5
37	R	42.5	Very low	41.9	Very low	246 Å²	246	167 Å²	167	93%	0.928	83%	0.831	S	S	*	*			trans	-117.1	10.9	-171.7	-109.7	-176.3	-176.3	172	1.8	116.8
38	D	44.9	Very low	41.9	Very low	158 Å²	158	170.1 Å²	170.1	85%	0.845	83%	0.834	S	S	*	*	S	Bend	trans	-98.7	2.3	-174.5	-77.4	-20.6	0	0	0	116.1
39	D	43.5	Very low	42.2	Very low	156 Å²	156	167.2 Å²	167.2	83%	0.834	83%	0.829	S	S	*	*			trans	-134.6	68.6	-177.8	-72	-49.8	0	0	0	113.7
40	L	46.9	Very low	42.2	Very low	161 Å²	161	168 Å²	168	84%	0.843	83%	0.83	S	S	*	*			trans	-150.5	133.3	158.9	-142.4	69.4	0	0	0	113.2	R42	L40-R42 PolarHBondContact O-N 2.92Å
41	P	40.1	Very low	42.6	Very low	116 Å²	116	173.7 Å²	173.7	75%	0.753	84%	0.836	S	S	*	*			trans	-69.5	131.2	-170.2	-8.7	25	0	0	0	110.5	H43	P41-H43 PolarHBondContact O-N 2.92Å
42	R	37.7	Very low	43.6	Very low	242 Å²	242	173 Å²	173	91%	0.913	83%	0.833	S	S	*	*			trans	-62.6	92.7	173	-79.3	178.3	173.5	166.1	-1.3	110.3	L40 I44	L40-R42 PolarHBondContact O-N 2.92Å; R42-I44 PolarHBondContact O-N 3.4Å; R42-I44 VanDerWaalsContact O-N 3.12Å
43	H	43.8	Very low	44.4	Very low	180 Å²	180	170.2 Å²	170.2	83%	0.833	82%	0.818	S	S	*	*			trans	-62.1	109.5	154.8	-111.3	-80.5	0	0	0	107.4	P41 S45	P41-H43 PolarHBondContact O-N 2.92Å; H43-S45 PolarHBondContact O-N 2.89Å
44	I	43	Very low	46.4	Very low	150 Å²	150	171.6 Å²	171.6	77%	0.769	81%	0.814	S	S	*	*			trans	-65.9	87.2	172.7	-63.7	169.1	0	0	0	106.9	R42 R46	R42-I44 PolarHBondContact O-N 3.4Å; R42-I44 VanDerWaalsContact O-N 3.12Å; I44-R46 VanDerWaalsContact C-N 3.28Å; I44-R46 PolarHBondContact O-N 3.4Å
45	S	39.3	Very low	48.7	Very low	105 Å²	105	163.5 Å²	163.5	73%	0.734	78%	0.778	S	S	*	*			trans	-66.6	95.4	161.4	40.1	0	0	0	0	106.9	H43 D47	H43-S45 PolarHBondContact O-N 2.89Å; S45-D47 PolarHBondContact O-N 3.36Å
46	R	37.5	Very low	50.9	Low	219 Å²	219	157.5 Å²	157.5	83%	0.826	75%	0.747	S	S	*	*			trans	-71.6	69.3	173.9	-150	176.4	-179	-178.6	0.9	107.9	I44 R48	I44-R46 VanDerWaalsContact C-N 3.28Å; I44-R46 PolarHBondContact O-N 3.4Å; R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 2.87Å
47	D	37.6	Very low	53.3	Low	143 Å²	143	152.8 Å²	152.8	77%	0.765	71%	0.709	S	S	*	*			trans	-70.8	93.8	176.4	-145	-2.3	0	0	0	106.9	S45 T49	S45-D47 PolarHBondContact O-N 3.36Å; D47-T49 PolarHBondContact O-N 3.47Å
48	R	37.4	Very low	55.8	Low	218 Å²	218	147 Å²	147	82%	0.823	69%	0.687	S	S	*	*			trans	-60.4	91.5	169.3	-79.3	178.8	171.5	176.5	-2.6	106.1	R46 K50	R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 2.87Å; R48-K50 PolarHBondContact O-N 3.37Å
49	T	40.3	Very low	58.2	Low	128 Å²	128	142.3 Å²	142.3	79%	0.785	66%	0.659	S	S	*	*			trans	-52.4	93.5	158.7	25.9	0	0	0	0	106.5	D47 R51	D47-T49 PolarHBondContact O-N 3.47Å; T49-R51 PolarHBondContact O-N 2.94Å
50	K	46	Very low	60.5	Low	191 Å²	191	139.2 Å²	139.2	83%	0.83	64%	0.642	S	S	*	*			trans	-52.5	105.8	172.6	-77.1	-177.4	177.1	-178.5	0	105.4	R48 K52	R48-K50 PolarHBondContact O-N 3.37Å; K50-K52 VanDerWaalsContact C-N 3.32Å; K50-K52 PolarHBondContact O-N 3.07Å
51	R	47.3	Very low	62.7	Low	240 Å²	240	131.7 Å²	131.7	91%	0.906	60%	0.603	S	S	*	*			trans	-55.5	102.7	171.5	-80.2	-179.6	169.9	179.1	-3.9	105.6	T49 I53	T49-R51 PolarHBondContact O-N 2.94Å; R51-I53 PolarHBondContact O-N 2.9Å
52	K	58.5	Low	65.2	Low	198 Å²	198	132.2 Å²	132.2	86%	0.861	59%	0.594	S	S	*	*			trans	-63.4	106.6	172.7	-75.2	-175.6	177.9	-177.8	0	105.6	K50 Q54	K50-K52 VanDerWaalsContact C-N 3.32Å; K50-K52 PolarHBondContact O-N 3.07Å; K52-Q54 PolarHBondContact O-N 2.9Å
53	I	67.2	Low	67.9	Low	103 Å²	103	123.7 Å²	123.7	53%	0.528	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-62.3	126.2	174.1	-68	174.1	0	0	0	107	R51 R55 E301	R51-I53 PolarHBondContact O-N 2.9Å; I53-R55 PolarHBondContact O-N 3.16Å; I53-E301 HydrophobicContact CD1-CB 3.88Å; I53-E301 HydrophobicContact CD1-CG 3.58Å; I53-E301 WeakPolarHBondContact CD1-OE1 3.3Å; I53-E301 WeakPolarHBondContact CD1-OE2 3.43Å
54	Q	84.5	Confident	70.2	Confident	141 Å²	141	117.1 Å²	117.1	66%	0.659	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-69.7	126.3	179.6	-174	67.5	16.3	0	0	108.6	K52 N64	K52-Q54 PolarHBondContact O-N 2.9Å; Q54-N64 PolarHBondContact NE2-ND2 3.14Å
55	R	92.4	Very high	72.6	Confident	46 Å²	46	112.5 Å²	112.5	17%	0.174	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-62.8	142.4	174.1	68.4	-164.6	-48.7	149.9	16	111.7	I53 V57 N64 E303 S324 I326 E329	I53-R55 PolarHBondContact O-N 3.16Å; R55-V57 WeakPolarHBondContact CD-O 3.37Å; R55-V57 VanDerWaalsContact CG-O 3.31Å; R55-V57 WeakPolarHBondContact CG-O 3.38Å; R55-V57 PolarHBondContact NE-O 3.37Å; R55-N64 PolarHBondContact O-ND2 3.3Å; R55-E303 WeakPolarHBondContact CA-OE2 3.33Å; R55-S324 PolarHBondContact NE-OG 3.46Å; R55-S324 PolarHBondContact NH2-O 3Å; R55-S324 PolarHBondContact NH2-OG 3.05Å; R55-I326 HydrophobicContact CB-CG2 3.88Å; R55-E329 IonicContact CZ-OE1 3.5Å; R55-E329 IonicContact CZ-OE2 2.87Å; R55-E329 IonicContact NH1-OE1 3.67Å; R55-E329 PolarHBondContact NH1-OE1 3.13Å; R55-E329 IonicContact NH1-OE2 2.75Å; R55-E329 IonicContact NH2-OE1 2.72Å; R55-E329 PolarHBondContact NH2-OE1 3.27Å; R55-E329 IonicContact NH2-OE2 3.54Å; R55-E329 PolarHBondContact NH2-OE2 3.43Å
56	Y	94.1	Very high	74.9	Confident	66 Å²	66	116.3 Å²	116.3	26%	0.259	53%	0.526	S	S	.	.	S	Bend	trans	-71.4	-43.3	176	-174.4	-113.8	0	0	0	111.5	N64 V65 I242 L255 E303	Y56-N64 PolarHBondContact O-N 2.76Å; Y56-V65 HydrophobicContact CD2-CG2 3.85Å; Y56-V65 HydrophobicContact CE2-CG2 3.21Å; Y56-I242 HydrophobicContact CD1-CD1 3.35Å; Y56-I242 HydrophobicContact CE1-CD1 3.95Å; Y56-I242 HydrophobicContact CG-CD1 4.06Å; Y56-L255 HydrophobicContact CD2-CD1 3.69Å; Y56-L255 HydrophobicContact CE2-CD1 4.05Å; Y56-E303 WeakPolarHBondContact CB-OE2 3.34Å; Y56-E303 PolarHBondContact N-OE1 3.41Å; Y56-E303 PolarHBondContact N-OE2 3.48Å
57	V	95.8	Very high	77.2	Confident	2 Å²	2	113.2 Å²	113.2	1%	0.012	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-119.9	138.4	175.8	-176.8	0	0	0	0	109	R55 E303 V305 R322 S324	R55-V57 WeakPolarHBondContact CD-O 3.37Å; R55-V57 VanDerWaalsContact CG-O 3.31Å; R55-V57 WeakPolarHBondContact CG-O 3.38Å; R55-V57 PolarHBondContact NE-O 3.37Å; V57-E303 PolarHBondContact N-OE1 2.8Å; V57-V305 HydrophobicContact CB-CG2 4.17Å; V57-V305 HydrophobicContact CG2-CG1 4.03Å; V57-V305 HydrophobicContact CG2-CG2 3.82Å; V57-R322 HydrophobicContact CG1-CB 4.49Å; V57-S324 PolarHBondContact O-OG 2.97Å
58	R	95.1	Very high	79.5	Confident	123 Å²	123	109.3 Å²	109.3	46%	0.464	51%	0.514	S	S	.	.			trans	-79.5	163.4	173.1	-67.7	-176.2	-171.2	-158.8	0.2	110.6	D60 G61 K62 N64	R58-D60 WeakPolarHBondContact CB-OD1 3.43Å; R58-D60 PolarHBondContact O-N 2.8Å; R58-G61 PolarHBondContact O-N 2.88Å; R58-K62 PolarHBondContact N-O 2.87Å; R58-N64 PolarHBondContact NE-OD1 2.77Å; R58-N64 PolarHBondContact NH2-OD1 3.13Å
59	K	93.8	Very high	82	Confident	60 Å²	60	107 Å²	107	26%	0.261	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.2	175.6	-74.3	-73.6	-176.3	-172.4	0	113.6	G61 T207 S323 S324 E329	K59-G61 PolarHBondContact O-N 3.3Å; K59-T207 WeakPolarHBondContact CE-O 3.35Å; K59-T207 PolarHBondContact NZ-O 2.86Å; K59-S323 PolarHBondContact O-OG 3.45Å; K59-S324 VanDerWaalsContact CD-O 3.31Å; K59-S324 WeakPolarHBondContact CD-O 3.34Å; K59-S324 WeakPolarHBondContact CE-O 3.39Å; K59-S324 PolarHBondContact NZ-O 3.25Å; K59-E329 WeakPolarHBondContact CE-OE1 3.43Å; K59-E329 WeakPolarHBondContact CE-OE2 3.25Å; K59-E329 VanDerWaalsContact NZ-CD 3.27Å; K59-E329 IonicContact NZ-OE1 3.45Å; K59-E329 IonicContact NZ-OE2 3.66Å; K59-E329 PolarHBondContact NZ-OE2 2.99Å
60	D	92.4	Very high	84.1	Confident	91 Å²	91	103.8 Å²	103.8	49%	0.487	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	0.3	175.6	73.6	-16.7	0	0	0	113.7	R58 K62	R58-D60 WeakPolarHBondContact CB-OD1 3.43Å; R58-D60 PolarHBondContact O-N 2.8Å; D60-K62 PolarHBondContact O-N 3.4Å; D60-K62 WeakPolarHBondContact OD1-CB 3.47Å; D60-K62 PolarHBondContact OD1-N 3.38Å; D60-K62 VanDerWaalsContact OD1-N 3.11Å; D60-K62 WeakPolarHBondContact OD2-CD 3.25Å; D60-K62 VanDerWaalsContact OD2-CE 3.28Å; D60-K62 WeakPolarHBondContact OD2-CE 3.34Å; D60-K62 IonicContact OD2-NZ 3.64Å; D60-K62 PolarHBondContact OD2-NZ 3.39Å; D60-K62 VanDerWaalsContact OD2-NZ 3.14Å
61	G	92.5	Very high	85.9	Confident	3 Å²	3	106.3 Å²	106.3	3%	0.031	50%	0.503	C	S	.	.	S	Bend	trans	83.2	2.8	178.4	0	0	0	0	0	115.4	R58 K59 R322	R58-G61 PolarHBondContact O-N 2.88Å; K59-G61 PolarHBondContact O-N 3.3Å; G61-R322 WeakPolarHBondContact CA-O 3.42Å; G61-R322 PolarHBondContact N-O 3.02Å; G61-R322 PolarHBondContact O-NE 2.87Å; G61-R322 VanDerWaalsContact O-NE 3.12Å; G61-R322 PolarHBondContact O-NH2 3.13Å
62	K	93.1	Very high	87.9	Confident	128 Å²	128	98.2 Å²	98.2	56%	0.557	48%	0.475	S	S	*	.			trans	-74.5	134	171.4	-66.9	179.2	-169.9	146	0	110.5	R58 D60	R58-K62 PolarHBondContact N-O 2.87Å; D60-K62 PolarHBondContact O-N 3.4Å; D60-K62 WeakPolarHBondContact OD1-CB 3.47Å; D60-K62 PolarHBondContact OD1-N 3.38Å; D60-K62 VanDerWaalsContact OD1-N 3.11Å; D60-K62 WeakPolarHBondContact OD2-CD 3.25Å; D60-K62 VanDerWaalsContact OD2-CE 3.28Å; D60-K62 WeakPolarHBondContact OD2-CE 3.34Å; D60-K62 IonicContact OD2-NZ 3.64Å; D60-K62 PolarHBondContact OD2-NZ 3.39Å; D60-K62 VanDerWaalsContact OD2-NZ 3.14Å
63	C	94.5	Very high	89.3	Confident	62 Å²	62	92 Å²	92	42%	0.419	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-86	133	177.9	-54.6	0	0	0	0	110.3	V65	C63-V65 HydrophobicContact CB-CG2 4.39Å; C63-V65 PolarHBondContact O-N 3.02Å; C63-V65 VanDerWaalsContact O-N 3.09Å
64	N	93	Very high	90.4	Very high	42 Å²	42	93 Å²	93	23%	0.225	45%	0.452	C	S	.	.			trans	-86.2	56.7	175.6	-68.5	-36.7	0	0	0	110.6	Q54 R55 Y56 R58	Q54-N64 PolarHBondContact NE2-ND2 3.14Å; R55-N64 PolarHBondContact O-ND2 3.3Å; Y56-N64 PolarHBondContact O-N 2.76Å; R58-N64 PolarHBondContact NE-OD1 2.77Å; R58-N64 PolarHBondContact NH2-OD1 3.13Å
65	V	91.5	Very high	90.6	Very high	53 Å²	53	93.2 Å²	93.2	32%	0.321	45%	0.447	S	S	.	.			trans	-126.9	124.2	-177.7	-177	0	0	0	0	109.3	Y56 C63	Y56-V65 HydrophobicContact CD2-CG2 3.85Å; Y56-V65 HydrophobicContact CE2-CG2 3.21Å; C63-V65 HydrophobicContact CB-CG2 4.39Å; C63-V65 PolarHBondContact O-N 3.02Å; C63-V65 VanDerWaalsContact O-N 3.09Å
66	H	89	Confident	90.4	Very high	186 Å²	186	97 Å²	97	86%	0.861	46%	0.462	S	S	*	.			trans	-109.1	125.7	171.8	-69.6	-76.7	0	0	0	109.6	G68	H66-G68 PolarHBondContact O-N 3.24Å
67	H	86.1	Confident	90.1	Very high	154 Å²	154	99.6 Å²	99.6	71%	0.713	48%	0.48	S	S	*	.			trans	-85.3	95	176.8	-60.5	-74.1	0	0	0	109.9	V70	H67-V70 HydrophobicContact CB-CG2 4.29Å
68	G	86	Confident	89.9	Confident	61 Å²	61	104.9 Å²	104.9	63%	0.629	51%	0.512	S	S	*	.			trans	-85.1	161.3	174.4	0	0	0	0	0	113.2	H66 V70	H66-G68 PolarHBondContact O-N 3.24Å; G68-V70 VanDerWaalsContact C-N 3.3Å; G68-V70 PolarHBondContact O-N 3.33Å
69	N	88.3	Confident	89.8	Confident	168 Å²	168	102.7 Å²	102.7	90%	0.898	51%	0.51	S	S	*	.			trans	56.2	32.2	170.5	-63.2	-7	0	0	0	116.1	R71	N69-R71 PolarHBondContact O-N 2.87Å
70	V	85	Confident	89.8	Confident	62 Å²	62	103.3 Å²	103.3	38%	0.376	52%	0.515	S	S	.	.			trans	-70.8	99	172.8	-175.7	0	0	0	0	109	H67 G68 E72 T73	H67-V70 HydrophobicContact CB-CG2 4.29Å; G68-V70 VanDerWaalsContact C-N 3.3Å; G68-V70 PolarHBondContact O-N 3.33Å; V70-E72 PolarHBondContact O-N 2.87Å; V70-T73 WeakPolarHBondContact O-CG2 3.43Å
71	R	84.8	Confident	89.8	Confident	243 Å²	243	102.5 Å²	102.5	92%	0.917	51%	0.507	S	S	*	.	S	Bend	trans	-62.4	-26.4	-177.4	-67.8	-176.3	177	-177.2	-0.7	113.5	N69	N69-R71 PolarHBondContact O-N 2.87Å
72	E	87.8	Confident	89.7	Confident	71 Å²	71	105.4 Å²	105.4	33%	0.332	53%	0.525	S	S	.	.			trans	-106.3	56.4	-169.4	-60.6	179.7	109.3	0	0	111.9	V70 Y74 R75	V70-E72 PolarHBondContact O-N 2.87Å; E72-Y74 HydrophobicContact CB-CD1 4.06Å; E72-Y74 HydrophobicContact CB-CE1 3.46Å; E72-Y74 VanDerWaalsContact CB-CE1 3.46Å; E72-Y74 HydrophobicContact CG-CE1 3.68Å; E72-Y74 PolarHBondContact O-N 3.47Å; E72-Y74 VanDerWaalsContact O-N 3.14Å; E72-Y74 PolarHBondContact OE1-OH 2.93Å; E72-R75 HydrophobicContact CB-CG 4.11Å; E72-R75 VanDerWaalsContact CD-CZ 3.46Å; E72-R75 WeakPolarHBondContact O-CB 3.46Å; E72-R75 WeakPolarHBondContact O-CG 3.46Å; E72-R75 PolarHBondContact O-N 3.01Å; E72-R75 VanDerWaalsContact O-N 3.11Å; E72-R75 IonicContact OE1-CZ 3.21Å; E72-R75 IonicContact OE1-NE 2.86Å; E72-R75 IonicContact OE1-NH2 2.77Å; E72-R75 PolarHBondContact OE1-NH2 2.91Å; E72-R75 IonicContact OE2-CZ 3.9Å; E72-R75 IonicContact OE2-NE 3.82Å; E72-R75 PolarHBondContact OE2-NE 3.17Å; E72-R75 VanDerWaalsContact OE2-NE 3.14Å; E72-R75 IonicContact OE2-NH1 2.77Å; E72-R75 IonicContact OE2-NH2 2.66Å; E72-R75 PolarHBondContact OE2-NH2 3.08Å
73	T	87.7	Confident	89.7	Confident	67 Å²	67	101.4 Å²	101.4	41%	0.411	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	179.6	55	0	0	0	0	113.5	V70 R75 Y76	V70-T73 WeakPolarHBondContact O-CG2 3.43Å; T73-R75 PolarHBondContact O-N 3.07Å; T73-R75 VanDerWaalsContact O-N 3.17Å; T73-Y76 WeakPolarHBondContact O-CD2 3.36Å; T73-Y76 PolarHBondContact O-N 3.44Å
74	Y	90.4	Very high	89.7	Confident	125 Å²	125	99.1 Å²	99.1	49%	0.49	50%	0.495	S	S	.	.	H	α-helix	trans	-60.7	-22.3	175	69.2	-93.9	0	0	0	113.1	E72 Y76 L77 T78	E72-Y74 HydrophobicContact CB-CD1 4.06Å; E72-Y74 HydrophobicContact CB-CE1 3.46Å; E72-Y74 VanDerWaalsContact CB-CE1 3.46Å; E72-Y74 HydrophobicContact CG-CE1 3.68Å; E72-Y74 PolarHBondContact O-N 3.47Å; E72-Y74 VanDerWaalsContact O-N 3.14Å; E72-Y74 PolarHBondContact OE1-OH 2.93Å; Y74-Y76 VanDerWaalsContact C-N 3.28Å; Y74-Y76 PolarHBondContact O-N 2.95Å; Y74-L77 PolarHBondContact O-N 3.36Å; Y74-L77 VanDerWaalsContact O-N 3.11Å; Y74-T78 PolarHBondContact O-N 3.01Å; Y74-T78 PolarHBondContact O-OG1 3.02Å
75	R	89.3	Confident	89.7	Confident	145 Å²	145	97.4 Å²	97.4	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-34.3	177	-67.3	-177	178.4	-166.1	2.8	112.1	E72 T73 L77 T78 D79	E72-R75 HydrophobicContact CB-CG 4.11Å; E72-R75 VanDerWaalsContact CD-CZ 3.46Å; E72-R75 WeakPolarHBondContact O-CB 3.46Å; E72-R75 WeakPolarHBondContact O-CG 3.46Å; E72-R75 PolarHBondContact O-N 3.01Å; E72-R75 VanDerWaalsContact O-N 3.11Å; E72-R75 IonicContact OE1-CZ 3.21Å; E72-R75 IonicContact OE1-NE 2.86Å; E72-R75 IonicContact OE1-NH2 2.77Å; E72-R75 PolarHBondContact OE1-NH2 2.91Å; E72-R75 IonicContact OE2-CZ 3.9Å; E72-R75 IonicContact OE2-NE 3.82Å; E72-R75 PolarHBondContact OE2-NE 3.17Å; E72-R75 VanDerWaalsContact OE2-NE 3.14Å; E72-R75 IonicContact OE2-NH1 2.77Å; E72-R75 IonicContact OE2-NH2 2.66Å; E72-R75 PolarHBondContact OE2-NH2 3.08Å; T73-R75 PolarHBondContact O-N 3.07Å; T73-R75 VanDerWaalsContact O-N 3.17Å; R75-L77 VanDerWaalsContact C-N 3.28Å; R75-L77 PolarHBondContact O-N 3.04Å; R75-T78 WeakPolarHBondContact O-CB 3.39Å; R75-T78 PolarHBondContact O-N 2.94Å; R75-D79 PolarHBondContact O-N 2.9Å
76	Y	87.5	Confident	89.7	Confident	124 Å²	124	99.1 Å²	99.1	49%	0.486	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-33	174.7	-62.4	-67.9	0	0	0	112.4	T73 Y74 D79 T83	T73-Y76 WeakPolarHBondContact O-CD2 3.36Å; T73-Y76 PolarHBondContact O-N 3.44Å; Y74-Y76 VanDerWaalsContact C-N 3.28Å; Y74-Y76 PolarHBondContact O-N 2.95Å; Y76-D79 CarbonylContact O-C 3.28Å; Y76-D79 VanDerWaalsContact O-C 3.28Å; Y76-D79 VanDerWaalsContact O-O 3.12Å; Y76-T83 PolarHBondContact O-OG1 3.38Å
77	L	88.9	Confident	89.9	Confident	121 Å²	121	92 Å²	92	63%	0.634	46%	0.461	S	S	*	.	H	α-helix	trans	-80.7	-27.2	176.6	-63	177.9	0	0	0	112.6	Y74 R75 D79 I80	Y74-L77 PolarHBondContact O-N 3.36Å; Y74-L77 VanDerWaalsContact O-N 3.11Å; R75-L77 VanDerWaalsContact C-N 3.28Å; R75-L77 PolarHBondContact O-N 3.04Å; L77-D79 VanDerWaalsContact C-N 3.26Å; L77-D79 PolarHBondContact O-N 2.87Å; L77-I80 HydrophobicContact CD2-CD1 4.25Å; L77-I80 PolarHBondContact O-N 3.49Å
78	T	92.1	Very high	90.3	Very high	114 Å²	114	89.3 Å²	89.3	70%	0.699	45%	0.447	S	S	*	.	H	α-helix	trans	-64.5	-38	175.3	-51.2	0	0	0	0	110.2	Y74 R75	Y74-T78 PolarHBondContact O-N 3.01Å; Y74-T78 PolarHBondContact O-OG1 3.02Å; R75-T78 WeakPolarHBondContact O-CB 3.39Å; R75-T78 PolarHBondContact O-N 2.94Å
79	D	92.6	Very high	90.6	Very high	76 Å²	76	92 Å²	92	41%	0.406	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	64.5	169.5	-169.4	1.5	0	0	0	111.3	R75 Y76 L77 F81 T82 T83	R75-D79 PolarHBondContact O-N 2.9Å; Y76-D79 CarbonylContact O-C 3.28Å; Y76-D79 VanDerWaalsContact O-C 3.28Å; Y76-D79 VanDerWaalsContact O-O 3.12Å; L77-D79 VanDerWaalsContact C-N 3.26Å; L77-D79 PolarHBondContact O-N 2.87Å; D79-F81 PolarHBondContact O-N 3.31Å; D79-T82 VanDerWaalsContact CG-CB 3.44Å; D79-T82 WeakPolarHBondContact OD1-CB 3.39Å; D79-T82 PolarHBondContact OD1-N 3.4Å; D79-T82 VanDerWaalsContact OD1-N 3.14Å; D79-T82 PolarHBondContact OD1-OG1 3.14Å; D79-T82 WeakPolarHBondContact OD2-CB 3.37Å; D79-T82 PolarHBondContact OD2-OG1 3.38Å; D79-T83 PolarHBondContact O-N 2.95Å; D79-T83 PolarHBondContact O-OG1 3.36Å
80	I	92.4	Very high	90.9	Very high	74 Å²	74	89.4 Å²	89.4	38%	0.379	42%	0.416	S	S	.	.	H	α-helix	trans	-63.1	-30.3	-179.6	-168.8	58.9	0	0	0	112.2	L77 T83 L84	L77-I80 HydrophobicContact CD2-CD1 4.25Å; L77-I80 PolarHBondContact O-N 3.49Å; I80-T83 PolarHBondContact O-N 2.99Å; I80-L84 HydrophobicContact CD1-CG 4.35Å; I80-L84 HydrophobicContact CG1-CD1 4.05Å; I80-L84 HydrophobicContact CG1-CG 4.23Å; I80-L84 WeakPolarHBondContact O-CB 3.44Å; I80-L84 VanDerWaalsContact O-CG 3.25Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 2.91Å
81	F	92.3	Very high	91.4	Very high	74 Å²	74	88.7 Å²	88.7	33%	0.325	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-52.5	-178.9	-174.1	-96.2	0	0	0	110.9	D79 T83 L84 V85 F184 C188 V191	D79-F81 PolarHBondContact O-N 3.31Å; F81-T83 VanDerWaalsContact C-N 3.27Å; F81-T83 PolarHBondContact O-N 3.46Å; F81-L84 PolarHBondContact O-N 2.91Å; F81-V85 HydrophobicContact CD1-CG2 4.29Å; F81-V85 HydrophobicContact CE1-CG2 3.97Å; F81-V85 HydrophobicContact CZ-CG2 4.1Å; F81-V85 WeakPolarHBondContact O-CG2 3.5Å; F81-V85 PolarHBondContact O-N 3.18Å; F81-V85 VanDerWaalsContact O-N 3.08Å; F81-F184 AromaticContact CD2-CE2 3.92Å; F81-F184 HydrophobicContact CD2-CE2 3.92Å; F81-F184 HydrophobicContact CD2-CZ 4.44Å; F81-C188 HydrophobicContact CE2-CB 4.22Å; F81-V191 HydrophobicContact CE1-CG1 4.48Å; F81-V191 HydrophobicContact CE1-CG2 4.37Å; F81-V191 HydrophobicContact CZ-CB 4.31Å; F81-V191 HydrophobicContact CZ-CG2 3.95Å
82	T	91.4	Very high	91.8	Very high	64 Å²	64	77.3 Å²	77.3	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-42.6	176.5	-58.9	0	0	0	0	111.1	D79 L84 V85 D86	D79-T82 VanDerWaalsContact CG-CB 3.44Å; D79-T82 WeakPolarHBondContact OD1-CB 3.39Å; D79-T82 PolarHBondContact OD1-N 3.4Å; D79-T82 VanDerWaalsContact OD1-N 3.14Å; D79-T82 PolarHBondContact OD1-OG1 3.14Å; D79-T82 WeakPolarHBondContact OD2-CB 3.37Å; D79-T82 PolarHBondContact OD2-OG1 3.38Å; T82-L84 PolarHBondContact O-N 2.8Å; T82-V85 PolarHBondContact O-N 3Å; T82-D86 WeakPolarHBondContact O-CB 3.3Å; T82-D86 PolarHBondContact O-N 2.87Å
83	T	93	Very high	92.1	Very high	43 Å²	43	78.2 Å²	78.2	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-46	177.9	-59	0	0	0	0	112.1	Y76 D79 I80 F81 V85 D86 L87	Y76-T83 PolarHBondContact O-OG1 3.38Å; D79-T83 PolarHBondContact O-N 2.95Å; D79-T83 PolarHBondContact O-OG1 3.36Å; I80-T83 PolarHBondContact O-N 2.99Å; F81-T83 VanDerWaalsContact C-N 3.27Å; F81-T83 PolarHBondContact O-N 3.46Å; T83-V85 PolarHBondContact O-N 2.58Å; T83-D86 PolarHBondContact O-N 3.15Å; T83-L87 WeakPolarHBondContact O-CG 3.35Å; T83-L87 PolarHBondContact O-N 2.75Å; T83-L87 VanDerWaalsContact O-N 3.11Å
84	L	94.2	Very high	92.6	Very high	15 Å²	15	79.3 Å²	79.3	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-40	179.3	-75.8	171.2	0	0	0	112.9	I80 F81 T82 L87 N92 I95 F184	I80-L84 HydrophobicContact CD1-CG 4.35Å; I80-L84 HydrophobicContact CG1-CD1 4.05Å; I80-L84 HydrophobicContact CG1-CG 4.23Å; I80-L84 WeakPolarHBondContact O-CB 3.44Å; I80-L84 VanDerWaalsContact O-CG 3.25Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 2.91Å; F81-L84 PolarHBondContact O-N 2.91Å; T82-L84 PolarHBondContact O-N 2.8Å; L84-L87 HydrophobicContact CD2-CD1 4.36Å; L84-N92 PolarHBondContact O-ND2 2.9Å; L84-I95 HydrophobicContact CD2-CD1 3.62Å; L84-I95 HydrophobicContact CD2-CG2 3.92Å; L84-F184 HydrophobicContact CD1-CE1 3.56Å; L84-F184 HydrophobicContact CD1-CZ 3.55Å
85	V	93.4	Very high	92.8	Very high	5 Å²	5	75.7 Å²	75.7	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-70.1	-36.4	179.3	-177.6	0	0	0	0	110.5	F81 T82 T83 V191 K192 Q195	F81-V85 HydrophobicContact CD1-CG2 4.29Å; F81-V85 HydrophobicContact CE1-CG2 3.97Å; F81-V85 HydrophobicContact CZ-CG2 4.1Å; F81-V85 WeakPolarHBondContact O-CG2 3.5Å; F81-V85 PolarHBondContact O-N 3.18Å; F81-V85 VanDerWaalsContact O-N 3.08Å; T82-V85 PolarHBondContact O-N 3Å; T83-V85 PolarHBondContact O-N 2.58Å; V85-V191 HydrophobicContact CG1-CB 4.48Å; V85-V191 HydrophobicContact CG1-CG1 3.82Å; V85-V191 HydrophobicContact CG2-CB 4.42Å; V85-V191 HydrophobicContact CG2-CG1 4.21Å; V85-K192 HydrophobicContact CG1-CB 4.12Å; V85-K192 PolarHBondContact O-NZ 3.5Å; V85-Q195 HydrophobicContact CG1-CG 4.32Å
86	D	91.8	Very high	93.1	Very high	89 Å²	89	71.6 Å²	71.6	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-79.2	-17	-180	-86.1	-15	0	0	0	114.9	T82 T83 K197	T82-D86 WeakPolarHBondContact O-CB 3.3Å; T82-D86 PolarHBondContact O-N 2.87Å; T83-D86 PolarHBondContact O-N 3.15Å; D86-K197 IonicContact OD1-NZ 3.64Å; D86-K197 PolarHBondContact OD1-NZ 3.19Å
87	L	92.3	Very high	93.5	Very high	38 Å²	38	69.7 Å²	69.7	20%	0.199	35%	0.351	C	S	.	.	S	Bend	trans	-58.1	152.4	173.8	-80.5	173.3	0	0	0	112.7	T83 L84 F91 I95 K192	T83-L87 WeakPolarHBondContact O-CG 3.35Å; T83-L87 PolarHBondContact O-N 2.75Å; T83-L87 VanDerWaalsContact O-N 3.11Å; L84-L87 HydrophobicContact CD2-CD1 4.36Å; L87-F91 HydrophobicContact CB-CB 4.27Å; L87-F91 HydrophobicContact CD1-CB 4.29Å; L87-F91 HydrophobicContact CD2-CB 4.4Å; L87-F91 HydrophobicContact CD2-CD2 4.36Å; L87-I95 HydrophobicContact CD1-CD1 3.58Å; L87-K192 WeakPolarHBondContact O-CE 3.34Å; L87-K192 PolarHBondContact O-NZ 2.8Å
88	K	94.2	Very high	93.9	Very high	96 Å²	96	68.9 Å²	68.9	42%	0.417	35%	0.345	S	S	.	.			trans	-60.8	150.9	172.9	-63.3	-178.8	178.6	177.4	0	110.7	R90 F91 N92	K88-R90 HydrophobicContact CB-CG 4.23Å; K88-R90 PolarHBondContact O-N 2.73Å; K88-R90 VanDerWaalsContact O-N 3.13Å; K88-F91 HydrophobicContact CB-CD2 3.95Å; K88-F91 HydrophobicContact CB-CE2 4.38Å; K88-F91 HydrophobicContact CD-CE2 4.42Å; K88-F91 PolarHBondContact O-N 2.98Å; K88-N92 PolarHBondContact O-N 3.17Å; K88-N92 VanDerWaalsContact O-N 3.12Å
89	W	93.1	Very high	94.1	Very high	117 Å²	117	65.4 Å²	65.4	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-48.9	-42	179.2	-84.5	108.5	0	0	0	113.9	F91 N92 L93 M189 K192 I193	W89-F91 VanDerWaalsContact C-N 3.29Å; W89-F91 PolarHBondContact O-N 3.4Å; W89-N92 PolarHBondContact O-N 3.38Å; W89-L93 WeakPolarHBondContact O-CG 3.38Å; W89-L93 PolarHBondContact O-N 3.42Å; W89-M189 HydrophobicContact CH2-CE 4.26Å; W89-M189 HydrophobicContact CZ3-CE 3.69Å; W89-M189 HydrophobicContact CZ3-SD 3.99Å; W89-K192 HydrophobicContact CD2-CD 4.24Å; W89-K192 HydrophobicContact CE3-CD 4.19Å; W89-K192 HydrophobicContact CH2-CD 4.08Å; W89-K192 HydrophobicContact CH2-CG 4.11Å; W89-K192 HydrophobicContact CZ2-CD 4.13Å; W89-K192 HydrophobicContact CZ2-CG 3.92Å; W89-K192 HydrophobicContact CZ3-CD 4.11Å; W89-I193 HydrophobicContact CH2-CD1 4.44Å; W89-I193 HydrophobicContact CH2-CG1 3.67Å; W89-I193 HydrophobicContact CZ2-CG1 4.16Å
90	R	95.3	Very high	94.3	Very high	115 Å²	115	63.1 Å²	63.1	43%	0.434	31%	0.31	S	S	.	.	H	α-helix	trans	-55.3	-41.9	177.5	71.9	178.8	90.3	133.4	-20.5	113.2	D15 K88 L94	D15-R90 IonicContact OD2-CZ 3.2Å; D15-R90 IonicContact OD2-NH1 2.73Å; D15-R90 IonicContact OD2-NH2 3.57Å; D15-R90 PolarHBondContact OD2-NH2 3.37Å; K88-R90 HydrophobicContact CB-CG 4.23Å; K88-R90 PolarHBondContact O-N 2.73Å; K88-R90 VanDerWaalsContact O-N 3.13Å; R90-L94 WeakPolarHBondContact O-CB 3.48Å; R90-L94 PolarHBondContact O-N 2.86Å; R90-L94 VanDerWaalsContact O-N 3.13Å
91	F	95.2	Very high	94.5	Very high	46 Å²	46	62 Å²	62	20%	0.202	31%	0.306	C	S	.	.	H	α-helix	trans	-79.2	-36.8	-178	-62.8	-61.6	0	0	0	110.8	V11 L87 K88 W89 L94 I95	V11-F91 HydrophobicContact CG1-CE1 4.06Å; V11-F91 HydrophobicContact CG1-CZ 3.79Å; L87-F91 HydrophobicContact CB-CB 4.27Å; L87-F91 HydrophobicContact CD1-CB 4.29Å; L87-F91 HydrophobicContact CD2-CB 4.4Å; L87-F91 HydrophobicContact CD2-CD2 4.36Å; K88-F91 HydrophobicContact CB-CD2 3.95Å; K88-F91 HydrophobicContact CB-CE2 4.38Å; K88-F91 HydrophobicContact CD-CE2 4.42Å; K88-F91 PolarHBondContact O-N 2.98Å; W89-F91 VanDerWaalsContact C-N 3.29Å; W89-F91 PolarHBondContact O-N 3.4Å; F91-L94 PolarHBondContact O-N 2.91Å; F91-I95 WeakPolarHBondContact O-CB 3.28Å; F91-I95 WeakPolarHBondContact O-CG1 3.21Å; F91-I95 PolarHBondContact O-N 3.42Å
92	N	93	Very high	94.8	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-46.8	176.6	-163.8	-52.3	0	0	0	110.8	L84 K88 W89 L94 I95 F96 K192	L84-N92 PolarHBondContact O-ND2 2.9Å; K88-N92 PolarHBondContact O-N 3.17Å; K88-N92 VanDerWaalsContact O-N 3.12Å; W89-N92 PolarHBondContact O-N 3.38Å; N92-L94 PolarHBondContact O-N 2.98Å; N92-I95 PolarHBondContact O-N 2.98Å; N92-F96 WeakPolarHBondContact O-CB 3.47Å; N92-F96 PolarHBondContact O-N 2.85Å; N92-K192 HydrophobicContact CB-CD 4.26Å; N92-K192 WeakPolarHBondContact ND2-CD 3.43Å
93	L	94.9	Very high	95	Very high	91 Å²	91	60.9 Å²	60.9	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-40.4	174.6	-68.1	174.6	0	0	0	112.6	W89 F96 V97	W89-L93 WeakPolarHBondContact O-CG 3.38Å; W89-L93 PolarHBondContact O-N 3.42Å; L93-F96 WeakPolarHBondContact O-CB 3.41Å; L93-F96 PolarHBondContact O-N 3.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.24Å; L93-V97 PolarHBondContact O-N 2.72Å
94	L	96.5	Very high	95.2	Very high	90 Å²	90	61.3 Å²	61.3	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-47.6	175.5	-177.5	68.8	0	0	0	111.4	R90 F91 N92 F96 V97 M98	R90-L94 WeakPolarHBondContact O-CB 3.48Å; R90-L94 PolarHBondContact O-N 2.86Å; R90-L94 VanDerWaalsContact O-N 3.13Å; F91-L94 PolarHBondContact O-N 2.91Å; N92-L94 PolarHBondContact O-N 2.98Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 2.94Å; L94-V97 PolarHBondContact O-N 3.13Å; L94-M98 HydrophobicContact CD1-CE 4.16Å; L94-M98 HydrophobicContact CG-CE 4.3Å; L94-M98 HydrophobicContact CG-SD 4.15Å; L94-M98 WeakPolarHBondContact O-CB 3.21Å; L94-M98 VanDerWaalsContact O-CG 3.29Å; L94-M98 WeakPolarHBondContact O-CG 3.49Å; L94-M98 PolarHBondContact O-N 2.87Å
95	I	95.9	Very high	95.4	Very high	48 Å²	48	64.1 Å²	64.1	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-41.6	178.2	-69.3	166.5	0	0	0	110.3	L84 L87 F91 N92 M98 V99 M185	L84-I95 HydrophobicContact CD2-CD1 3.62Å; L84-I95 HydrophobicContact CD2-CG2 3.92Å; L87-I95 HydrophobicContact CD1-CD1 3.58Å; F91-I95 WeakPolarHBondContact O-CB 3.28Å; F91-I95 WeakPolarHBondContact O-CG1 3.21Å; F91-I95 PolarHBondContact O-N 3.42Å; N92-I95 PolarHBondContact O-N 2.98Å; I95-M98 PolarHBondContact O-N 3.04Å; I95-V99 HydrophobicContact CG2-CG2 4.2Å; I95-V99 WeakPolarHBondContact O-CG2 3.41Å; I95-V99 PolarHBondContact O-N 2.87Å; I95-M185 HydrophobicContact CG2-CE 4.5Å
96	F	94.4	Very high	95.6	Very high	59 Å²	59	69.2 Å²	69.2	26%	0.259	34%	0.339	S	S	.	.	H	α-helix	trans	-56.5	-54.3	176.3	-170.6	-83.1	0	0	0	110.6	N92 L93 L94 M98 V99 Y100 M185 M189	N92-F96 WeakPolarHBondContact O-CB 3.47Å; N92-F96 PolarHBondContact O-N 2.85Å; L93-F96 WeakPolarHBondContact O-CB 3.41Å; L93-F96 PolarHBondContact O-N 3.32Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 2.94Å; F96-M98 VanDerWaalsContact C-N 3.32Å; F96-M98 PolarHBondContact O-N 2.74Å; F96-V99 PolarHBondContact O-N 2.92Å; F96-Y100 AromaticContact CD1-CD2 3.82Å; F96-Y100 HydrophobicContact CD1-CD2 3.82Å; F96-Y100 AromaticContact CD1-CE2 3.9Å; F96-Y100 HydrophobicContact CD1-CE2 3.9Å; F96-Y100 HydrophobicContact CD2-CE2 4.17Å; F96-Y100 AromaticContact CE1-CD2 3.64Å; F96-Y100 HydrophobicContact CE1-CD2 3.64Å; F96-Y100 AromaticContact CE1-CE2 3.41Å; F96-Y100 HydrophobicContact CE1-CE2 3.41Å; F96-Y100 VanDerWaalsContact CE1-CE2 3.41Å; F96-Y100 AromaticContact CE2-CE2 3.73Å; F96-Y100 HydrophobicContact CE2-CE2 3.73Å; F96-Y100 HydrophobicContact CG-CD2 4.36Å; F96-Y100 HydrophobicContact CG-CE2 4.25Å; F96-Y100 HydrophobicContact CZ-CD2 4.06Å; F96-Y100 AromaticContact CZ-CE2 3.32Å; F96-Y100 HydrophobicContact CZ-CE2 3.32Å; F96-Y100 VanDerWaalsContact O-CD2 3.29Å; F96-Y100 WeakPolarHBondContact O-CD2 3.45Å; F96-Y100 PolarHBondContact O-N 3.29Å; F96-M185 HydrophobicContact CD2-CB 3.94Å; F96-M185 HydrophobicContact CD2-CG 4.37Å; F96-M185 HydrophobicContact CD2-SD 4.31Å; F96-M185 HydrophobicContact CE2-CB 3.75Å; F96-M189 HydrophobicContact CD2-CG 4.1Å; F96-M189 HydrophobicContact CE2-CG 4.11Å
97	V	96.5	Very high	95.8	Very high	85 Å²	85	65.3 Å²	65.3	52%	0.515	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-40.9	177.5	174.9	0	0	0	0	111.5	L93 L94 T101	L93-V97 WeakPolarHBondContact O-CG2 3.24Å; L93-V97 PolarHBondContact O-N 2.72Å; L94-V97 PolarHBondContact O-N 3.13Å; V97-T101 HydrophobicContact CG1-CG2 4.15Å; V97-T101 WeakPolarHBondContact O-CB 3.5Å; V97-T101 VanDerWaalsContact O-CG2 3.25Å; V97-T101 WeakPolarHBondContact O-CG2 3.49Å; V97-T101 PolarHBondContact O-N 3.36Å; V97-T101 PolarHBondContact O-OG1 3.11Å
98	M	97	Very high	96.1	Very high	103 Å²	103	63.5 Å²	63.5	51%	0.507	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-41.6	180	-79.5	-174.7	161.8	0	0	112.3	L94 I95 F96 T101 V102	L94-M98 HydrophobicContact CD1-CE 4.16Å; L94-M98 HydrophobicContact CG-CE 4.3Å; L94-M98 HydrophobicContact CG-SD 4.15Å; L94-M98 WeakPolarHBondContact O-CB 3.21Å; L94-M98 VanDerWaalsContact O-CG 3.29Å; L94-M98 WeakPolarHBondContact O-CG 3.49Å; L94-M98 PolarHBondContact O-N 2.87Å; I95-M98 PolarHBondContact O-N 3.04Å; F96-M98 VanDerWaalsContact C-N 3.32Å; F96-M98 PolarHBondContact O-N 2.74Å; M98-T101 WeakPolarHBondContact CA-OG1 3.41Å; M98-T101 PolarHBondContact O-N 3.05Å; M98-T101 PolarHBondContact O-OG1 2.86Å; M98-T101 VanDerWaalsContact O-OG1 3.1Å; M98-V102 VanDerWaalsContact O-CB 3.27Å; M98-V102 WeakPolarHBondContact O-CB 3.29Å; M98-V102 WeakPolarHBondContact O-CG2 3.46Å; M98-V102 PolarHBondContact O-N 3.16Å
99	V	96.7	Very high	96.2	Very high	42 Å²	42	64.1 Å²	64.1	26%	0.255	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-46.8	-178.6	170.2	0	0	0	0	111.2	I95 F96 T101 V102 T103 V181 M185	I95-V99 HydrophobicContact CG2-CG2 4.2Å; I95-V99 WeakPolarHBondContact O-CG2 3.41Å; I95-V99 PolarHBondContact O-N 2.87Å; F96-V99 PolarHBondContact O-N 2.92Å; V99-T101 PolarHBondContact O-N 2.89Å; V99-V102 PolarHBondContact O-N 3.11Å; V99-T103 WeakPolarHBondContact O-CG2 3.39Å; V99-T103 PolarHBondContact O-N 2.91Å; V99-T103 PolarHBondContact O-OG1 3.02Å; V99-V181 HydrophobicContact CG1-CG1 3.55Å; V99-M185 HydrophobicContact CB-CE 3.58Å; V99-M185 HydrophobicContact CG1-CE 3.59Å; V99-M185 HydrophobicContact CG2-CE 3.45Å; V99-M185 VanDerWaalsContact CG2-CE 3.45Å
100	Y	96.8	Very high	96.4	Very high	28 Å²	28	60.8 Å²	60.8	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-41.7	176.2	-79	-76.2	0	0	0	112.6	F96 V102 T103 W104 N182 M185	F96-Y100 AromaticContact CD1-CD2 3.82Å; F96-Y100 HydrophobicContact CD1-CD2 3.82Å; F96-Y100 AromaticContact CD1-CE2 3.9Å; F96-Y100 HydrophobicContact CD1-CE2 3.9Å; F96-Y100 HydrophobicContact CD2-CE2 4.17Å; F96-Y100 AromaticContact CE1-CD2 3.64Å; F96-Y100 HydrophobicContact CE1-CD2 3.64Å; F96-Y100 AromaticContact CE1-CE2 3.41Å; F96-Y100 HydrophobicContact CE1-CE2 3.41Å; F96-Y100 VanDerWaalsContact CE1-CE2 3.41Å; F96-Y100 AromaticContact CE2-CE2 3.73Å; F96-Y100 HydrophobicContact CE2-CE2 3.73Å; F96-Y100 HydrophobicContact CG-CD2 4.36Å; F96-Y100 HydrophobicContact CG-CE2 4.25Å; F96-Y100 HydrophobicContact CZ-CD2 4.06Å; F96-Y100 AromaticContact CZ-CE2 3.32Å; F96-Y100 HydrophobicContact CZ-CE2 3.32Å; F96-Y100 VanDerWaalsContact O-CD2 3.29Å; F96-Y100 WeakPolarHBondContact O-CD2 3.45Å; F96-Y100 PolarHBondContact O-N 3.29Å; Y100-V102 PolarHBondContact O-N 3.32Å; Y100-T103 WeakPolarHBondContact CA-OG1 3.49Å; Y100-T103 PolarHBondContact O-N 3.36Å; Y100-T103 PolarHBondContact O-OG1 3.37Å; Y100-W104 AromaticContact CD1-CZ2 3.82Å; Y100-W104 HydrophobicContact CD1-CZ2 3.82Å; Y100-W104 HydrophobicContact CG-CZ2 4.18Å; Y100-W104 WeakPolarHBondContact O-CB 3.39Å; Y100-W104 PolarHBondContact O-N 3.39Å; Y100-N182 WeakPolarHBondContact OH-CA 3.41Å; Y100-N182 PolarHBondContact OH-OD1 3.12Å; Y100-M185 HydrophobicContact CE2-CB 4.17Å; Y100-M185 HydrophobicContact CE2-CG 4.21Å
101	T	96.6	Very high	96.4	Very high	51 Å²	51	55.4 Å²	55.4	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-67.3	-37.7	179.1	52.2	0	0	0	0	111.9	V97 M98 V99 L105	V97-T101 HydrophobicContact CG1-CG2 4.15Å; V97-T101 WeakPolarHBondContact O-CB 3.5Å; V97-T101 VanDerWaalsContact O-CG2 3.25Å; V97-T101 WeakPolarHBondContact O-CG2 3.49Å; V97-T101 PolarHBondContact O-N 3.36Å; V97-T101 PolarHBondContact O-OG1 3.11Å; M98-T101 WeakPolarHBondContact CA-OG1 3.41Å; M98-T101 PolarHBondContact O-N 3.05Å; M98-T101 PolarHBondContact O-OG1 2.86Å; M98-T101 VanDerWaalsContact O-OG1 3.1Å; V99-T101 PolarHBondContact O-N 2.89Å; T101-L105 VanDerWaalsContact O-CB 3.29Å; T101-L105 WeakPolarHBondContact O-CB 3.21Å; T101-L105 WeakPolarHBondContact O-CG 3.32Å; T101-L105 PolarHBondContact O-N 3.43Å
102	V	97.7	Very high	96.5	Very high	92 Å²	92	57.5 Å²	57.5	56%	0.558	29%	0.29	S	S	*	.	H	α-helix	trans	-69.1	-40.4	176.3	170.7	0	0	0	0	111.8	M98 V99 Y100 L105 F106	M98-V102 VanDerWaalsContact O-CB 3.27Å; M98-V102 WeakPolarHBondContact O-CB 3.29Å; M98-V102 WeakPolarHBondContact O-CG2 3.46Å; M98-V102 PolarHBondContact O-N 3.16Å; V99-V102 PolarHBondContact O-N 3.11Å; Y100-V102 PolarHBondContact O-N 3.32Å; V102-L105 PolarHBondContact O-N 3.05Å; V102-F106 WeakPolarHBondContact O-CB 3.19Å; V102-F106 PolarHBondContact O-N 2.72Å
103	T	97	Very high	96.6	Very high	22 Å²	22	61.2 Å²	61.2	14%	0.135	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-47.3	175.4	53.3	0	0	0	0	111	V99 Y100 L105 F106 F107 E150 V181	V99-T103 WeakPolarHBondContact O-CG2 3.39Å; V99-T103 PolarHBondContact O-N 2.91Å; V99-T103 PolarHBondContact O-OG1 3.02Å; Y100-T103 WeakPolarHBondContact CA-OG1 3.49Å; Y100-T103 PolarHBondContact O-N 3.36Å; Y100-T103 PolarHBondContact O-OG1 3.37Å; T103-L105 PolarHBondContact O-N 3.1Å; T103-F106 PolarHBondContact O-N 2.99Å; T103-F107 WeakPolarHBondContact O-CD2 3.41Å; T103-F107 PolarHBondContact O-N 3.38Å; T103-E150 WeakPolarHBondContact CB-OE1 3.48Å; T103-E150 PolarHBondContact OG1-OE1 3.02Å; T103-V181 HydrophobicContact CG2-CG1 4.41Å; T103-V181 HydrophobicContact CG2-CG2 4.34Å
104	W	97.3	Very high	96.6	Very high	51 Å²	51	57.8 Å²	57.8	19%	0.193	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-41.6	178	-61.2	-21.3	0	0	0	112.9	Y100 G108 F143 S146 I147 E150 T151	Y100-W104 AromaticContact CD1-CZ2 3.82Å; Y100-W104 HydrophobicContact CD1-CZ2 3.82Å; Y100-W104 HydrophobicContact CG-CZ2 4.18Å; Y100-W104 WeakPolarHBondContact O-CB 3.39Å; Y100-W104 PolarHBondContact O-N 3.39Å; W104-G108 WeakPolarHBondContact O-CA 3.31Å; W104-G108 PolarHBondContact O-N 3.34Å; W104-F143 HydrophobicContact CB-CD2 4.38Å; W104-F143 HydrophobicContact CB-CE2 3.69Å; W104-F143 HydrophobicContact CB-CZ 4.4Å; W104-S146 PolarHBondContact O-OG 3.35Å; W104-I147 HydrophobicContact CB-CG1 3.91Å; W104-I147 HydrophobicContact CD2-CD1 4.36Å; W104-I147 HydrophobicContact CD2-CG1 3.69Å; W104-I147 HydrophobicContact CE3-CD1 4.04Å; W104-I147 HydrophobicContact CE3-CG1 3.89Å; W104-I147 HydrophobicContact CG-CG1 3.69Å; W104-E150 VanDerWaalsContact CD1-CD 3.45Å; W104-E150 PolarHBondContact NE1-OE1 3.44Å; W104-E150 VanDerWaalsContact NE1-OE1 3.1Å; W104-T151 HydrophobicContact CZ2-CG2 3.74Å
105	L	97.5	Very high	96.5	Very high	74 Å²	74	53.7 Å²	53.7	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-45.6	175.1	-76.9	171.8	0	0	0	111.3	T101 V102 T103 G108 M109 F139 F143	T101-L105 VanDerWaalsContact O-CB 3.29Å; T101-L105 WeakPolarHBondContact O-CB 3.21Å; T101-L105 WeakPolarHBondContact O-CG 3.32Å; T101-L105 PolarHBondContact O-N 3.43Å; V102-L105 PolarHBondContact O-N 3.05Å; T103-L105 PolarHBondContact O-N 3.1Å; L105-G108 PolarHBondContact O-N 3.47Å; L105-M109 VanDerWaalsContact O-CG 3.23Å; L105-M109 WeakPolarHBondContact O-CG 3.48Å; L105-M109 PolarHBondContact O-N 3Å; L105-F139 HydrophobicContact CD2-CZ 4.18Å; L105-F143 HydrophobicContact CD2-CD2 3.81Å; L105-F143 HydrophobicContact CD2-CE2 3.68Å; L105-F143 HydrophobicContact CD2-CZ 4.46Å; L105-F143 HydrophobicContact CG-CD2 4.35Å; L105-F143 HydrophobicContact CG-CE2 3.85Å
106	F	97.5	Very high	96.4	Very high	113 Å²	113	58 Å²	58	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-59.1	-53.3	179.7	175.8	-105	0	0	0	111.4	V102 T103 G108 M109 I110	V102-F106 WeakPolarHBondContact O-CB 3.19Å; V102-F106 PolarHBondContact O-N 2.72Å; T103-F106 PolarHBondContact O-N 2.99Å; F106-G108 VanDerWaalsContact C-N 3.35Å; F106-G108 PolarHBondContact O-N 2.78Å; F106-M109 PolarHBondContact O-N 2.89Å; F106-I110 HydrophobicContact CD1-CD1 4.1Å; F106-I110 HydrophobicContact CE1-CD1 3.57Å; F106-I110 HydrophobicContact CE2-CD1 4.1Å; F106-I110 HydrophobicContact CZ-CD1 3.58Å; F106-I110 WeakPolarHBondContact O-CG1 3.33Å; F106-I110 PolarHBondContact O-N 3.44Å; F106-I110 VanDerWaalsContact O-N 3.14Å
107	F	97.3	Very high	96.4	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-36	176.5	-78.6	-72.8	0	0	0	112.3	T103 M109 I110 W111 S146 L170 I173 Q174 L177	T103-F107 WeakPolarHBondContact O-CD2 3.41Å; T103-F107 PolarHBondContact O-N 3.38Å; F107-M109 VanDerWaalsContact C-N 3.32Å; F107-M109 PolarHBondContact O-N 3Å; F107-I110 PolarHBondContact O-N 3.25Å; F107-I110 VanDerWaalsContact O-N 3.16Å; F107-W111 PolarHBondContact O-N 3.23Å; F107-S146 WeakPolarHBondContact CB-OG 3.45Å; F107-L170 HydrophobicContact CD1-CD1 3.86Å; F107-L170 HydrophobicContact CE1-CD1 3.94Å; F107-I173 HydrophobicContact CE1-CG2 4.38Å; F107-I173 HydrophobicContact CZ-CG2 4.49Å; F107-Q174 HydrophobicContact CB-CG 4.35Å; F107-Q174 HydrophobicContact CD1-CB 3.68Å; F107-Q174 HydrophobicContact CD1-CG 3.72Å; F107-Q174 HydrophobicContact CD2-CG 3.91Å; F107-Q174 HydrophobicContact CE1-CB 3.54Å; F107-Q174 HydrophobicContact CE1-CG 3.93Å; F107-Q174 HydrophobicContact CE2-CB 4.46Å; F107-Q174 HydrophobicContact CE2-CG 4.1Å; F107-Q174 HydrophobicContact CG-CB 4.23Å; F107-Q174 HydrophobicContact CG-CG 3.73Å; F107-Q174 HydrophobicContact CZ-CB 3.97Å; F107-Q174 HydrophobicContact CZ-CG 4.12Å; F107-L177 HydrophobicContact CZ-CB 4.28Å; F107-L177 HydrophobicContact CZ-CD2 4.24Å
108	G	97	Very high	96.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-38.5	174.8	0	0	0	0	0	112.9	W104 L105 F106 W112 A142 S146	W104-G108 WeakPolarHBondContact O-CA 3.31Å; W104-G108 PolarHBondContact O-N 3.34Å; L105-G108 PolarHBondContact O-N 3.47Å; F106-G108 VanDerWaalsContact C-N 3.35Å; F106-G108 PolarHBondContact O-N 2.78Å; G108-W112 WeakPolarHBondContact O-CB 3.44Å; G108-W112 PolarHBondContact O-N 2.9Å; G108-A142 WeakPolarHBondContact O-CB 3.21Å; G108-S146 PolarHBondContact N-OG 2.77Å
109	M	97	Very high	96	Very high	109 Å²	109	56.3 Å²	56.3	54%	0.537	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-41.5	172.7	-66.8	-143.1	-71.4	0	0	111.8	L105 F106 F107 W112 L113 F139	L105-M109 VanDerWaalsContact O-CG 3.23Å; L105-M109 WeakPolarHBondContact O-CG 3.48Å; L105-M109 PolarHBondContact O-N 3Å; F106-M109 PolarHBondContact O-N 2.89Å; F107-M109 VanDerWaalsContact C-N 3.32Å; F107-M109 PolarHBondContact O-N 3Å; M109-W112 PolarHBondContact O-N 3.1Å; M109-L113 VanDerWaalsContact O-CB 3.28Å; M109-L113 WeakPolarHBondContact O-CB 3.44Å; M109-L113 PolarHBondContact O-N 3.48Å; M109-F139 HydrophobicContact CG-CE2 3.79Å; M109-F139 HydrophobicContact CG-CZ 4.19Å
110	I	96.7	Very high	95.7	Very high	48 Å²	48	54.8 Å²	54.8	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-42.6	179	-58.8	173.4	0	0	0	110.8	F106 F107 W112 L113 I114 L170	F106-I110 HydrophobicContact CD1-CD1 4.1Å; F106-I110 HydrophobicContact CE1-CD1 3.57Å; F106-I110 HydrophobicContact CE2-CD1 4.1Å; F106-I110 HydrophobicContact CZ-CD1 3.58Å; F106-I110 WeakPolarHBondContact O-CG1 3.33Å; F106-I110 PolarHBondContact O-N 3.44Å; F106-I110 VanDerWaalsContact O-N 3.14Å; F107-I110 PolarHBondContact O-N 3.25Å; F107-I110 VanDerWaalsContact O-N 3.16Å; I110-W112 VanDerWaalsContact C-N 3.34Å; I110-W112 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 2.86Å; I110-L113 VanDerWaalsContact O-N 3.17Å; I110-I114 HydrophobicContact CG2-CD1 4.23Å; I110-I114 HydrophobicContact CG2-CG1 4.42Å; I110-I114 WeakPolarHBondContact O-CG1 3.36Å; I110-I114 PolarHBondContact O-N 2.8Å; I110-L170 HydrophobicContact CB-CD1 4.38Å; I110-L170 HydrophobicContact CB-CD2 4.16Å; I110-L170 HydrophobicContact CG2-CD1 3.8Å; I110-L170 HydrophobicContact CG2-CD2 3.62Å; I110-L170 HydrophobicContact CG2-CG 4.36Å
111	W	96.6	Very high	95.3	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-45.5	174.2	-81.5	115.4	0	0	0	112.3	F107 L113 I114 A115 V133 A142 F145 I160 G167 L170 L171	F107-W111 PolarHBondContact O-N 3.23Å; W111-L113 VanDerWaalsContact C-N 3.33Å; W111-I114 PolarHBondContact O-N 2.78Å; W111-A115 PolarHBondContact O-N 3.23Å; W111-A115 VanDerWaalsContact O-N 3.09Å; W111-V133 HydrophobicContact CE3-CG2 3.83Å; W111-V133 HydrophobicContact CH2-CG2 4.48Å; W111-V133 HydrophobicContact CZ3-CG2 3.68Å; W111-A142 HydrophobicContact CB-CB 4.29Å; W111-F145 AromaticContact CD2-CD1 3.91Å; W111-F145 HydrophobicContact CD2-CD1 3.91Å; W111-F145 AromaticContact CD2-CE1 3.71Å; W111-F145 HydrophobicContact CD2-CE1 3.71Å; W111-F145 AromaticContact CE2-CE1 3.57Å; W111-F145 HydrophobicContact CE3-CD1 4.37Å; W111-F145 AromaticContact CE3-CE1 3.94Å; W111-F145 HydrophobicContact CE3-CE1 3.94Å; W111-F145 HydrophobicContact CG-CD1 4.06Å; W111-F145 HydrophobicContact CG-CE1 4.34Å; W111-F145 AromaticContact CH2-CE1 3.92Å; W111-F145 HydrophobicContact CH2-CE1 3.92Å; W111-F145 AromaticContact CZ2-CE1 3.7Å; W111-F145 HydrophobicContact CZ2-CE1 3.7Å; W111-F145 HydrophobicContact CZ2-CZ 4.48Å; W111-F145 HydrophobicContact CZ3-CE1 4.04Å; W111-I160 HydrophobicContact CH2-CD1 3.97Å; W111-G167 VanDerWaalsContact CH2-O 3.24Å; W111-G167 WeakPolarHBondContact CH2-O 3.31Å; W111-L170 HydrophobicContact CD2-CD2 3.53Å; W111-L170 HydrophobicContact CD2-CG 4.49Å; W111-L170 HydrophobicContact CE3-CD2 3.92Å; W111-L170 HydrophobicContact CG-CD2 3.92Å; W111-L170 HydrophobicContact CH2-CB 4.36Å; W111-L170 HydrophobicContact CH2-CD2 4.24Å; W111-L170 HydrophobicContact CH2-CG 4.48Å; W111-L170 HydrophobicContact CZ2-CB 4.27Å; W111-L170 HydrophobicContact CZ2-CD2 3.88Å; W111-L170 HydrophobicContact CZ2-CG 3.98Å; W111-L170 HydrophobicContact CZ3-CD2 4.26Å; W111-L171 HydrophobicContact CH2-CB 4.3Å; W111-L171 HydrophobicContact CZ2-CB 4.2Å
112	W	96	Very high	94.9	Very high	89 Å²	89	59 Å²	59	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.5	-178.7	70.7	0	0	0	111.9	G108 M109 I110 A115 Y116 F139 A142	G108-W112 WeakPolarHBondContact O-CB 3.44Å; G108-W112 PolarHBondContact O-N 2.9Å; M109-W112 PolarHBondContact O-N 3.1Å; I110-W112 VanDerWaalsContact C-N 3.34Å; I110-W112 PolarHBondContact O-N 2.92Å; W112-A115 PolarHBondContact O-N 2.75Å; W112-Y116 WeakPolarHBondContact O-CB 3.14Å; W112-Y116 PolarHBondContact O-N 3.05Å; W112-F139 HydrophobicContact CB-CD2 4.15Å; W112-F139 HydrophobicContact CD2-CD2 4.42Å; W112-F139 HydrophobicContact CG-CB 4.47Å; W112-F139 HydrophobicContact CG-CD2 4.12Å; W112-A142 HydrophobicContact CB-CB 3.77Å
113	L	95.9	Very high	94.4	Very high	83 Å²	83	58.1 Å²	58.1	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-40.8	178.5	-174.6	64	0	0	0	112.4	M109 I110 W111 Y116 I117	M109-L113 VanDerWaalsContact O-CB 3.28Å; M109-L113 WeakPolarHBondContact O-CB 3.44Å; M109-L113 PolarHBondContact O-N 3.48Å; I110-L113 PolarHBondContact O-N 2.86Å; I110-L113 VanDerWaalsContact O-N 3.17Å; W111-L113 VanDerWaalsContact C-N 3.33Å; L113-Y116 PolarHBondContact O-N 2.81Å; L113-I117 HydrophobicContact CD1-CD1 3.99Å; L113-I117 HydrophobicContact CD1-CG1 4.22Å; L113-I117 HydrophobicContact CD2-CD1 4.42Å; L113-I117 HydrophobicContact CG-CD1 3.79Å; L113-I117 HydrophobicContact CG-CG1 4.39Å; L113-I117 WeakPolarHBondContact O-CB 3.32Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.24Å; L113-I117 PolarHBondContact O-N 2.81Å
114	I	94.9	Very high	93.9	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-46.7	174.6	-69.2	177.9	0	0	0	110.2	I110 W111 Y116 I117 R118 E166 L170	I110-I114 HydrophobicContact CG2-CD1 4.23Å; I110-I114 HydrophobicContact CG2-CG1 4.42Å; I110-I114 WeakPolarHBondContact O-CG1 3.36Å; I110-I114 PolarHBondContact O-N 2.8Å; W111-I114 PolarHBondContact O-N 2.78Å; I114-Y116 VanDerWaalsContact C-N 3.27Å; I114-Y116 PolarHBondContact O-N 3.18Å; I114-I117 PolarHBondContact O-N 3.49Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 PolarHBondContact O-N 2.93Å; I114-E166 HydrophobicContact CD1-CB 4.42Å; I114-L170 HydrophobicContact CD1-CB 4.16Å; I114-L170 HydrophobicContact CD1-CD2 3.57Å; I114-L170 HydrophobicContact CD1-CG 4.46Å
115	A	94.3	Very high	93.2	Very high	4 Å²	4	68.1 Å²	68.1	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-37.7	176.9	0	0	0	0	0	112	W111 W112 G119 D120 M121 L136	W111-A115 PolarHBondContact O-N 3.23Å; W111-A115 VanDerWaalsContact O-N 3.09Å; W112-A115 PolarHBondContact O-N 2.75Å; A115-G119 PolarHBondContact O-N 2.86Å; A115-D120 HydrophobicContact CB-CB 4.27Å; A115-D120 WeakPolarHBondContact O-CB 3.41Å; A115-D120 PolarHBondContact O-N 2.87Å; A115-M121 HydrophobicContact CB-CG 4.48Å; A115-L136 HydrophobicContact CB-CD1 4.22Å; A115-L136 HydrophobicContact CB-CD2 4.14Å
116	Y	94.3	Very high	92.7	Very high	140 Å²	140	68.2 Å²	68.2	55%	0.549	33%	0.325	S	S	.	.	H	α-helix	trans	-68.8	-49.9	176.9	-176.7	-107	0	0	0	112.7	W112 L113 I114 R118 G119	W112-Y116 WeakPolarHBondContact O-CB 3.14Å; W112-Y116 PolarHBondContact O-N 3.05Å; L113-Y116 PolarHBondContact O-N 2.81Å; I114-Y116 VanDerWaalsContact C-N 3.27Å; I114-Y116 PolarHBondContact O-N 3.18Å; Y116-R118 VanDerWaalsContact C-N 3.28Å; Y116-R118 PolarHBondContact O-N 2.71Å; Y116-G119 PolarHBondContact O-N 3.14Å; Y116-G119 VanDerWaalsContact O-N 3.1Å
117	I	94.4	Very high	92.2	Very high	119 Å²	119	69.2 Å²	69.2	61%	0.61	34%	0.343	S	S	*	.	H	α-helix	trans	-63.6	-36.7	-179.3	-69.5	169.7	0	0	0	111.3	L113 I114 G119	L113-I117 HydrophobicContact CD1-CD1 3.99Å; L113-I117 HydrophobicContact CD1-CG1 4.22Å; L113-I117 HydrophobicContact CD2-CD1 4.42Å; L113-I117 HydrophobicContact CG-CD1 3.79Å; L113-I117 HydrophobicContact CG-CG1 4.39Å; L113-I117 WeakPolarHBondContact O-CB 3.32Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.24Å; L113-I117 PolarHBondContact O-N 2.81Å; I114-I117 PolarHBondContact O-N 3.49Å; I117-G119 PolarHBondContact O-N 3.37Å
118	R	91.5	Very high	91.8	Very high	82 Å²	82	74.2 Å²	74.2	31%	0.309	38%	0.379	S	S	.	.	H	α-helix	trans	-71.7	-19.2	178.1	-174.8	174.5	167.4	88.3	5	113.1	I114 Y116 D120 W129 K163	I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 PolarHBondContact O-N 2.93Å; Y116-R118 VanDerWaalsContact C-N 3.28Å; Y116-R118 PolarHBondContact O-N 2.71Å; R118-D120 WeakPolarHBondContact CD-OD1 3.39Å; R118-D120 WeakPolarHBondContact CG-OD1 3.48Å; R118-D120 IonicContact NE-OD1 3.17Å; R118-D120 PolarHBondContact NE-OD1 2.87Å; R118-D120 IonicContact NE-OD2 3.76Å; R118-W129 HydrophobicContact CG-CZ2 4.13Å; R118-K163 PolarHBondContact NH1-O 2.85Å; R118-K163 PolarHBondContact NH2-O 2.92Å
119	G	92.3	Very high	91.5	Very high	10 Å²	10	78.4 Å²	78.4	10%	0.103	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	17.3	-174.5	0	0	0	0	0	113.7	A115 Y116 I117 M121 D122 H123	A115-G119 PolarHBondContact O-N 2.86Å; Y116-G119 PolarHBondContact O-N 3.14Å; Y116-G119 VanDerWaalsContact O-N 3.1Å; I117-G119 PolarHBondContact O-N 3.37Å; G119-M121 PolarHBondContact O-N 3.42Å; G119-D122 PolarHBondContact O-N 3.35Å; G119-H123 PolarHBondContact O-ND1 3.5Å
120	D	91.4	Very high	91.3	Very high	10 Å²	10	76.3 Å²	76.3	5%	0.053	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.9	177.7	-69.7	-17.8	0	0	0	111.5	A115 R118 D122 W129 P131 C132	A115-D120 HydrophobicContact CB-CB 4.27Å; A115-D120 WeakPolarHBondContact O-CB 3.41Å; A115-D120 PolarHBondContact O-N 2.87Å; R118-D120 WeakPolarHBondContact CD-OD1 3.39Å; R118-D120 WeakPolarHBondContact CG-OD1 3.48Å; R118-D120 IonicContact NE-OD1 3.17Å; R118-D120 PolarHBondContact NE-OD1 2.87Å; R118-D120 IonicContact NE-OD2 3.76Å; D120-D122 VanDerWaalsContact C-N 3.31Å; D120-D122 PolarHBondContact O-N 3.27Å; D120-W129 PolarHBondContact OD1-NE1 3.41Å; D120-P131 HydrophobicContact CB-CB 3.91Å; D120-P131 WeakPolarHBondContact OD1-CA 3.37Å; D120-C132 WeakPolarHBondContact OD2-CB 3.26Å; D120-C132 PolarHBondContact OD2-N 3.19Å
121	M	87.4	Confident	91.1	Very high	41 Å²	41	75.7 Å²	75.7	20%	0.202	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.7	178.7	-63.7	-67.9	-57.8	0	0	113.3	A115 G119 I124 L136 N137	A115-M121 HydrophobicContact CB-CG 4.48Å; G119-M121 PolarHBondContact O-N 3.42Å; M121-I124 WeakPolarHBondContact O-CD1 3.47Å; M121-I124 WeakPolarHBondContact O-CG1 3.43Å; M121-L136 HydrophobicContact SD-CD2 4.14Å; M121-N137 WeakPolarHBondContact CE-O 3.29Å
122	D	89.3	Confident	91	Very high	127 Å²	127	75.7 Å²	75.7	68%	0.679	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-20.9	-178.5	-63.1	-34	0	0	0	112.1	G119 D120	G119-D122 PolarHBondContact O-N 3.35Å; D120-D122 VanDerWaalsContact C-N 3.31Å; D120-D122 PolarHBondContact O-N 3.27Å
123	H	87.8	Confident	90.9	Very high	73 Å²	73	71.6 Å²	71.6	34%	0.338	37%	0.372	S	S	.	.			trans	-115.9	34.8	-172	-56.9	88.7	0	0	0	112.5	G119 E125 D126 W129	G119-H123 PolarHBondContact O-ND1 3.5Å; H123-E125 VanDerWaalsContact C-N 3.34Å; H123-E125 PolarHBondContact O-N 2.93Å; H123-D126 HydrophobicContact CB-CB 4.17Å; H123-D126 IonicContact CD2-OD2 3.23Å; H123-D126 PolarHBondContact CD2-OD2 3.16Å; H123-D126 VanDerWaalsContact CD2-OD2 3.23Å; H123-D126 IonicContact CG-OD2 3.78Å; H123-D126 PolarHBondContact O-N 3.35Å; H123-W129 HydrophobicContact CB-CB 3.89Å; H123-W129 HydrophobicContact CB-CD2 4.31Å; H123-W129 HydrophobicContact CB-CG 3.77Å
124	I	85.2	Confident	90.8	Very high	95 Å²	95	69.7 Å²	69.7	49%	0.487	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.2	-173.7	-64.3	171.8	0	0	0	112.5	M121	M121-I124 WeakPolarHBondContact O-CD1 3.47Å; M121-I124 WeakPolarHBondContact O-CG1 3.43Å
125	E	82.6	Confident	90.7	Very high	188 Å²	188	72 Å²	72	88%	0.879	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.2	-178.1	-63.9	-174.8	174.8	0	0	113.1	H123 P127	H123-E125 VanDerWaalsContact C-N 3.34Å; H123-E125 PolarHBondContact O-N 2.93Å; E125-P127 VanDerWaalsContact O-CD 3.25Å; E125-P127 WeakPolarHBondContact O-CD 3.49Å
126	D	87.7	Confident	90.6	Very high	76 Å²	76	72.5 Å²	72.5	41%	0.406	38%	0.379	S	S	.	.			trans	-84.2	111.5	-175.4	-79.8	-40.6	0	0	0	111.7	H123 S128 W129	H123-D126 HydrophobicContact CB-CB 4.17Å; H123-D126 IonicContact CD2-OD2 3.23Å; H123-D126 PolarHBondContact CD2-OD2 3.16Å; H123-D126 VanDerWaalsContact CD2-OD2 3.23Å; H123-D126 IonicContact CG-OD2 3.78Å; H123-D126 PolarHBondContact O-N 3.35Å; D126-S128 PolarHBondContact O-N 2.81Å; D126-S128 VanDerWaalsContact O-N 3.09Å; D126-W129 HydrophobicContact CB-CB 4.18Å; D126-W129 PolarHBondContact O-N 3.49Å; D126-W129 VanDerWaalsContact O-N 3.13Å
127	P	85.9	Confident	90.4	Very high	133 Å²	133	70.8 Å²	70.8	86%	0.864	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.9	-178.2	29.2	-36.2	0	0	0	113.3	E125	E125-P127 VanDerWaalsContact O-CD 3.25Å; E125-P127 WeakPolarHBondContact O-CD 3.49Å
128	S	89.4	Confident	90.2	Very high	112 Å²	112	66 Å²	66	78%	0.783	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-20.3	177.8	70	0	0	0	0	113.2	D126	D126-S128 PolarHBondContact O-N 2.81Å; D126-S128 VanDerWaalsContact O-N 3.09Å
129	W	91.6	Very high	90.4	Very high	87 Å²	87	65.9 Å²	65.9	33%	0.33	36%	0.361	S	S	.	.			trans	-92.7	134.4	-179.4	-171.4	-95.6	0	0	0	110.5	R118 D120 H123 D126	R118-W129 HydrophobicContact CG-CZ2 4.13Å; D120-W129 PolarHBondContact OD1-NE1 3.41Å; H123-W129 HydrophobicContact CB-CB 3.89Å; H123-W129 HydrophobicContact CB-CD2 4.31Å; H123-W129 HydrophobicContact CB-CG 3.77Å; D126-W129 HydrophobicContact CB-CB 4.18Å; D126-W129 PolarHBondContact O-N 3.49Å; D126-W129 VanDerWaalsContact O-N 3.13Å
130	T	92.1	Very high	90.6	Very high	66 Å²	66	70.3 Å²	70.3	41%	0.405	39%	0.385	S	S	.	.			trans	-113.9	110.4	175.6	33.8	0	0	0	0	108.2	K163	T130-K163 WeakPolarHBondContact OG1-CE 3.42Å; T130-K163 WeakPolarHBondContact OG1-CG 3.43Å
131	P	93.2	Very high	90.7	Very high	35 Å²	35	70.5 Å²	70.5	23%	0.227	39%	0.388	C	S	.	.			trans	-71.1	164	-177.2	31.4	-36.6	0	0	0	110.9	D120 V133 T161	D120-P131 HydrophobicContact CB-CB 3.91Å; D120-P131 WeakPolarHBondContact OD1-CA 3.37Å; P131-V133 VanDerWaalsContact C-N 3.27Å; P131-V133 PolarHBondContact O-N 2.78Å; P131-T161 WeakPolarHBondContact O-CG2 3.2Å; P131-T161 PolarHBondContact O-OG1 2.86Å
132	C	92.8	Very high	91.2	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.014	38%	0.378	C	S	.	.	S	Bend	trans	-60.7	-39.8	175.3	-173.9	0	0	0	0	112	D120 I160 T161 C164	D120-C132 WeakPolarHBondContact OD2-CB 3.26Å; D120-C132 PolarHBondContact OD2-N 3.19Å; C132-I160 WeakPolarHBondContact O-CA 3.41Å; C132-T161 PolarHBondContact O-N 3.14Å; C132-T161 PolarHBondContact O-OG1 3.13Å; C132-C164 WeakPolarHBondContact CA-SG 3.44Å; C132-C164 HydrophobicContact CB-CB 3.6Å; C132-C164 WeakPolarHBondContact CB-SG 3.4Å; C132-C164 WeakPolarHBondContact SG-CB 3.48Å; C132-C164 CovalentContact SG-SG 2.02Å; C132-C164 PolarHBondContact SG-SG 2.82Å
133	V	95	Very high	91.5	Very high	2 Å²	2	65 Å²	65	1%	0.012	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-130.4	125.6	174.1	-178.9	0	0	0	0	108.5	W111 P131 L136 F145 R158 V159	W111-V133 HydrophobicContact CE3-CG2 3.83Å; W111-V133 HydrophobicContact CH2-CG2 4.48Å; W111-V133 HydrophobicContact CZ3-CG2 3.68Å; P131-V133 VanDerWaalsContact C-N 3.27Å; P131-V133 PolarHBondContact O-N 2.78Å; V133-L136 HydrophobicContact CB-CB 4.46Å; V133-L136 HydrophobicContact CB-CD1 4.02Å; V133-L136 HydrophobicContact CG1-CD1 4.44Å; V133-L136 HydrophobicContact CG2-CD1 4.49Å; V133-F145 HydrophobicContact CB-CE1 4.39Å; V133-F145 HydrophobicContact CG1-CD1 3.99Å; V133-F145 HydrophobicContact CG1-CD2 3.89Å; V133-F145 HydrophobicContact CG1-CE1 3.95Å; V133-F145 HydrophobicContact CG1-CE2 3.83Å; V133-F145 HydrophobicContact CG1-CG 3.95Å; V133-F145 HydrophobicContact CG1-CZ 3.86Å; V133-F145 HydrophobicContact CG2-CD1 4.08Å; V133-F145 HydrophobicContact CG2-CE1 3.53Å; V133-F145 HydrophobicContact CG2-CZ 3.84Å; V133-R158 HydrophobicContact CG1-CB 3.91Å; V133-V159 WeakPolarHBondContact CA-O 3.15Å
134	T	93.6	Very high	92	Very high	43 Å²	43	64.8 Å²	64.8	26%	0.264	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	144.3	178.5	60.6	0	0	0	0	111.3	L136 Y157 R158 V159 T161	T134-L136 VanDerWaalsContact C-N 3.35Å; T134-L136 PolarHBondContact O-N 3.08Å; T134-Y157 PolarHBondContact OG1-O 2.72Å; T134-R158 WeakPolarHBondContact O-CA 3.33Å; T134-V159 PolarHBondContact N-O 2.74Å; T134-V159 PolarHBondContact OG1-N 3.09Å; T134-V159 PolarHBondContact OG1-O 3.25Å; T134-T161 HydrophobicContact CG2-CG2 4.07Å
135	N	92.1	Very high	92.5	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	36.1	176.2	-56.7	-54.1	0	0	0	115.3	N137 Y157	N135-N137 PolarHBondContact O-N 3.25Å; N135-Y157 HydrophobicContact CB-CD1 3.83Å; N135-Y157 HydrophobicContact CB-CE1 3.43Å; N135-Y157 VanDerWaalsContact CB-CE1 3.43Å; N135-Y157 PolarHBondContact ND2-O 3.14Å
136	L	92.9	Very high	93.2	Very high	15 Å²	15	51.8 Å²	51.8	8%	0.079	30%	0.295	C	S	.	.			trans	-96.6	80.5	173.1	-158.9	166.9	0	0	0	109.6	A115 M121 V133 T134 A142	A115-L136 HydrophobicContact CB-CD1 4.22Å; A115-L136 HydrophobicContact CB-CD2 4.14Å; M121-L136 HydrophobicContact SD-CD2 4.14Å; V133-L136 HydrophobicContact CB-CB 4.46Å; V133-L136 HydrophobicContact CB-CD1 4.02Å; V133-L136 HydrophobicContact CG1-CD1 4.44Å; V133-L136 HydrophobicContact CG2-CD1 4.49Å; T134-L136 VanDerWaalsContact C-N 3.35Å; T134-L136 PolarHBondContact O-N 3.08Å; L136-A142 HydrophobicContact CD1-CB 4.16Å; L136-A142 HydrophobicContact CD2-CB 3.97Å; L136-A142 HydrophobicContact CG-CB 4.16Å
137	N	89.7	Confident	93.7	Very high	103 Å²	103	49.9 Å²	49.9	55%	0.551	28%	0.284	S	S	*	.			trans	-82.8	-12.7	-172.3	-58.6	0.9	0	0	0	114.1	M121 N135 S141	M121-N137 WeakPolarHBondContact CE-O 3.29Å; N135-N137 PolarHBondContact O-N 3.25Å; N137-S141 PolarHBondContact N-OG 2.77Å
138	G	91.7	Very high	94.2	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	25%	0.245	C	C	.	.	S	Bend	trans	179.9	-174.1	-174.3	0	0	0	0	0	113.5	V140 S141 A142	G138-V140 PolarHBondContact O-N 3.05Å; G138-S141 PolarHBondContact N-OG 2.89Å; G138-S141 PolarHBondContact O-N 3.27Å; G138-S141 PolarHBondContact O-OG 3.27Å; G138-A142 PolarHBondContact O-N 2.93Å; G138-A142 VanDerWaalsContact O-N 3.15Å
139	F	94.1	Very high	94.5	Very high	80 Å²	80	39.6 Å²	39.6	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-42.4	-178.5	178.7	-108	0	0	0	112.7	L105 M109 W112 S141 A142 F143	L105-F139 HydrophobicContact CD2-CZ 4.18Å; M109-F139 HydrophobicContact CG-CE2 3.79Å; M109-F139 HydrophobicContact CG-CZ 4.19Å; W112-F139 HydrophobicContact CB-CD2 4.15Å; W112-F139 HydrophobicContact CD2-CD2 4.42Å; W112-F139 HydrophobicContact CG-CB 4.47Å; W112-F139 HydrophobicContact CG-CD2 4.12Å; F139-S141 VanDerWaalsContact C-N 3.33Å; F139-S141 PolarHBondContact O-N 2.78Å; F139-A142 WeakPolarHBondContact O-CB 3.41Å; F139-A142 PolarHBondContact O-N 2.73Å; F139-A142 VanDerWaalsContact O-N 3.13Å; F139-F143 PolarHBondContact O-N 3.35Å
140	V	96.3	Very high	94.8	Very high	102 Å²	102	36.6 Å²	36.6	62%	0.618	20%	0.203	S	C	*	.	H	α-helix	trans	-64.4	-37.8	-178.7	-179.1	0	0	0	0	111.6	G138 F143 L144	G138-V140 PolarHBondContact O-N 3.05Å; V140-F143 PolarHBondContact O-N 2.87Å; V140-L144 HydrophobicContact CG1-CD1 4.48Å; V140-L144 WeakPolarHBondContact O-CG 3.48Å; V140-L144 PolarHBondContact O-N 3.43Å
141	S	95.3	Very high	95	Very high	15 Å²	15	35.8 Å²	35.8	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-34.9	174.1	44.1	0	0	0	0	112.7	N137 G138 F139 L144 F145	N137-S141 PolarHBondContact N-OG 2.77Å; G138-S141 PolarHBondContact N-OG 2.89Å; G138-S141 PolarHBondContact O-N 3.27Å; G138-S141 PolarHBondContact O-OG 3.27Å; F139-S141 VanDerWaalsContact C-N 3.33Å; F139-S141 PolarHBondContact O-N 2.78Å; S141-L144 PolarHBondContact O-N 2.9Å; S141-F145 WeakPolarHBondContact O-CB 3.34Å; S141-F145 PolarHBondContact O-N 3.15Å
142	A	96	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-39.8	173.2	0	0	0	0	0	111.6	G108 W111 W112 L136 G138 F139 F145 S146	G108-A142 WeakPolarHBondContact O-CB 3.21Å; W111-A142 HydrophobicContact CB-CB 4.29Å; W112-A142 HydrophobicContact CB-CB 3.77Å; L136-A142 HydrophobicContact CD1-CB 4.16Å; L136-A142 HydrophobicContact CD2-CB 3.97Å; L136-A142 HydrophobicContact CG-CB 4.16Å; G138-A142 PolarHBondContact O-N 2.93Å; G138-A142 VanDerWaalsContact O-N 3.15Å; F139-A142 WeakPolarHBondContact O-CB 3.41Å; F139-A142 PolarHBondContact O-N 2.73Å; F139-A142 VanDerWaalsContact O-N 3.13Å; A142-F145 PolarHBondContact O-N 2.95Å; A142-S146 WeakPolarHBondContact O-CB 3.44Å; A142-S146 PolarHBondContact O-N 2.81Å
143	F	97	Very high	95.3	Very high	51 Å²	51	44 Å²	44	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-44.4	174.4	178.9	-110.8	0	0	0	112.1	W104 L105 F139 V140 S146 I147	W104-F143 HydrophobicContact CB-CD2 4.38Å; W104-F143 HydrophobicContact CB-CE2 3.69Å; W104-F143 HydrophobicContact CB-CZ 4.4Å; L105-F143 HydrophobicContact CD2-CD2 3.81Å; L105-F143 HydrophobicContact CD2-CE2 3.68Å; L105-F143 HydrophobicContact CD2-CZ 4.46Å; L105-F143 HydrophobicContact CG-CD2 4.35Å; L105-F143 HydrophobicContact CG-CE2 3.85Å; F139-F143 PolarHBondContact O-N 3.35Å; V140-F143 PolarHBondContact O-N 2.87Å; F143-S146 WeakPolarHBondContact O-CB 3.28Å; F143-S146 PolarHBondContact O-N 2.74Å; F143-I147 HydrophobicContact CD1-CD1 4.01Å; F143-I147 HydrophobicContact CE1-CD1 3.48Å; F143-I147 VanDerWaalsContact CE1-CD1 3.48Å; F143-I147 HydrophobicContact CE2-CD1 4.2Å; F143-I147 HydrophobicContact CE2-CG1 4.48Å; F143-I147 HydrophobicContact CZ-CD1 3.6Å; F143-I147 HydrophobicContact CZ-CG1 4.33Å; F143-I147 WeakPolarHBondContact O-CG1 3.27Å; F143-I147 PolarHBondContact O-N 2.97Å
144	L	96.9	Very high	95.2	Very high	69 Å²	69	46.2 Å²	46.2	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-45.6	174	-72.5	170.8	0	0	0	111.6	V140 S141 S146 I147 E148	V140-L144 HydrophobicContact CG1-CD1 4.48Å; V140-L144 WeakPolarHBondContact O-CG 3.48Å; V140-L144 PolarHBondContact O-N 3.43Å; S141-L144 PolarHBondContact O-N 2.9Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.05Å; L144-I147 PolarHBondContact O-N 2.9Å; L144-E148 WeakPolarHBondContact O-CB 3.28Å; L144-E148 VanDerWaalsContact O-CG 3.29Å; L144-E148 WeakPolarHBondContact O-CG 3.29Å; L144-E148 PolarHBondContact O-N 2.9Å
145	F	96.7	Very high	95.3	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-38.8	176.4	-179.8	-113.1	0	0	0	112.5	W111 V133 S141 A142 E148 T149 R158	W111-F145 AromaticContact CD2-CD1 3.91Å; W111-F145 HydrophobicContact CD2-CD1 3.91Å; W111-F145 AromaticContact CD2-CE1 3.71Å; W111-F145 HydrophobicContact CD2-CE1 3.71Å; W111-F145 AromaticContact CE2-CE1 3.57Å; W111-F145 HydrophobicContact CE3-CD1 4.37Å; W111-F145 AromaticContact CE3-CE1 3.94Å; W111-F145 HydrophobicContact CE3-CE1 3.94Å; W111-F145 HydrophobicContact CG-CD1 4.06Å; W111-F145 HydrophobicContact CG-CE1 4.34Å; W111-F145 AromaticContact CH2-CE1 3.92Å; W111-F145 HydrophobicContact CH2-CE1 3.92Å; W111-F145 AromaticContact CZ2-CE1 3.7Å; W111-F145 HydrophobicContact CZ2-CE1 3.7Å; W111-F145 HydrophobicContact CZ2-CZ 4.48Å; W111-F145 HydrophobicContact CZ3-CE1 4.04Å; V133-F145 HydrophobicContact CB-CE1 4.39Å; V133-F145 HydrophobicContact CG1-CD1 3.99Å; V133-F145 HydrophobicContact CG1-CD2 3.89Å; V133-F145 HydrophobicContact CG1-CE1 3.95Å; V133-F145 HydrophobicContact CG1-CE2 3.83Å; V133-F145 HydrophobicContact CG1-CG 3.95Å; V133-F145 HydrophobicContact CG1-CZ 3.86Å; V133-F145 HydrophobicContact CG2-CD1 4.08Å; V133-F145 HydrophobicContact CG2-CE1 3.53Å; V133-F145 HydrophobicContact CG2-CZ 3.84Å; S141-F145 WeakPolarHBondContact O-CB 3.34Å; S141-F145 PolarHBondContact O-N 3.15Å; A142-F145 PolarHBondContact O-N 2.95Å; F145-E148 PolarHBondContact O-N 2.92Å; F145-T149 VanDerWaalsContact O-CB 3.31Å; F145-T149 WeakPolarHBondContact O-CB 3.3Å; F145-T149 PolarHBondContact O-N 2.9Å; F145-T149 PolarHBondContact O-OG1 2.79Å; F145-R158 HydrophobicContact CB-CB 4.25Å; F145-R158 HydrophobicContact CB-CG 4.48Å; F145-R158 HydrophobicContact CD2-CB 3.48Å; F145-R158 VanDerWaalsContact CD2-CB 3.48Å; F145-R158 HydrophobicContact CE2-CB 4.17Å; F145-R158 WeakPolarHBondContact CE2-O 3.35Å; F145-R158 HydrophobicContact CG-CB 4.16Å
146	S	97.3	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-46.5	174.2	-179.3	0	0	0	0	111.6	W104 F107 G108 A142 F143 L144 T149 E150 Q174	W104-S146 PolarHBondContact O-OG 3.35Å; F107-S146 WeakPolarHBondContact CB-OG 3.45Å; G108-S146 PolarHBondContact N-OG 2.77Å; A142-S146 WeakPolarHBondContact O-CB 3.44Å; A142-S146 PolarHBondContact O-N 2.81Å; F143-S146 WeakPolarHBondContact O-CB 3.28Å; F143-S146 PolarHBondContact O-N 2.74Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.05Å; S146-T149 PolarHBondContact O-N 3.16Å; S146-E150 WeakPolarHBondContact O-CB 3.35Å; S146-E150 PolarHBondContact O-N 3.02Å; S146-Q174 PolarHBondContact O-NE2 2.86Å
147	I	97.4	Very high	95.4	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.185	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-50.3	175	-64.4	169.8	0	0	0	110.5	W104 F143 L144 T149 E150 T151	W104-I147 HydrophobicContact CB-CG1 3.91Å; W104-I147 HydrophobicContact CD2-CD1 4.36Å; W104-I147 HydrophobicContact CD2-CG1 3.69Å; W104-I147 HydrophobicContact CE3-CD1 4.04Å; W104-I147 HydrophobicContact CE3-CG1 3.89Å; W104-I147 HydrophobicContact CG-CG1 3.69Å; F143-I147 HydrophobicContact CD1-CD1 4.01Å; F143-I147 HydrophobicContact CE1-CD1 3.48Å; F143-I147 VanDerWaalsContact CE1-CD1 3.48Å; F143-I147 HydrophobicContact CE2-CD1 4.2Å; F143-I147 HydrophobicContact CE2-CG1 4.48Å; F143-I147 HydrophobicContact CZ-CD1 3.6Å; F143-I147 HydrophobicContact CZ-CG1 4.33Å; F143-I147 WeakPolarHBondContact O-CG1 3.27Å; F143-I147 PolarHBondContact O-N 2.97Å; L144-I147 PolarHBondContact O-N 2.9Å; I147-T149 PolarHBondContact O-N 2.72Å; I147-E150 PolarHBondContact O-N 2.73Å; I147-T151 HydrophobicContact CG2-CG2 4.13Å; I147-T151 WeakPolarHBondContact O-CB 3.32Å; I147-T151 PolarHBondContact O-N 2.79Å; I147-T151 PolarHBondContact O-OG1 2.79Å
148	E	97	Very high	95.7	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.028	30%	0.299	C	S	.	.	H	α-helix	trans	-54.2	-37.9	-179.7	-74.7	176.2	-137	0	0	112	L144 F145 T152 I153 G154 Y155 R158	L144-E148 WeakPolarHBondContact O-CB 3.28Å; L144-E148 VanDerWaalsContact O-CG 3.29Å; L144-E148 WeakPolarHBondContact O-CG 3.29Å; L144-E148 PolarHBondContact O-N 2.9Å; F145-E148 PolarHBondContact O-N 2.92Å; E148-T152 CarbonylContact O-C 3.56Å; E148-T152 PolarHBondContact O-N 2.73Å; E148-I153 PolarHBondContact O-N 2.83Å; E148-G154 PolarHBondContact O-N 2.8Å; E148-Y155 VanDerWaalsContact CD-CD2 3.43Å; E148-Y155 HydrophobicContact CG-CD2 3.53Å; E148-Y155 HydrophobicContact CG-CE2 3.96Å; E148-Y155 HydrophobicContact CG-CG 4.5Å; E148-Y155 PolarHBondContact OE2-N 3.15Å; E148-R158 WeakPolarHBondContact OE1-CD 3.47Å; E148-R158 IonicContact OE1-CZ 3.99Å; E148-R158 IonicContact OE1-NE 3.27Å; E148-R158 IonicContact OE1-NH1 3.9Å; E148-R158 PolarHBondContact OE1-NH1 3.32Å
149	T	96.5	Very high	95.8	Very high	22 Å²	22	57.1 Å²	57.1	14%	0.135	31%	0.31	C	S	.	.	H	α-helix	trans	-77.2	-51	-179.6	-57.8	0	0	0	0	112	F145 S146 I147 T152 L171	F145-T149 VanDerWaalsContact O-CB 3.31Å; F145-T149 WeakPolarHBondContact O-CB 3.3Å; F145-T149 PolarHBondContact O-N 2.9Å; F145-T149 PolarHBondContact O-OG1 2.79Å; S146-T149 PolarHBondContact O-N 3.16Å; I147-T149 PolarHBondContact O-N 2.72Å; T149-T152 PolarHBondContact O-N 3.21Å; T149-L171 HydrophobicContact CG2-CD1 3.23Å
150	E	96.5	Very high	95.9	Very high	24 Å²	24	55.7 Å²	55.7	11%	0.112	31%	0.305	C	S	.	.	H	α-helix	trans	-68.7	-39.6	-175.8	-166.8	170.6	115.5	0	0	112.5	T103 W104 S146 I147 T152	T103-E150 WeakPolarHBondContact CB-OE1 3.48Å; T103-E150 PolarHBondContact OG1-OE1 3.02Å; W104-E150 VanDerWaalsContact CD1-CD 3.45Å; W104-E150 PolarHBondContact NE1-OE1 3.44Å; W104-E150 VanDerWaalsContact NE1-OE1 3.1Å; S146-E150 WeakPolarHBondContact O-CB 3.35Å; S146-E150 PolarHBondContact O-N 3.02Å; I147-E150 PolarHBondContact O-N 2.73Å; E150-T152 PolarHBondContact O-N 2.66Å
151	T	96.3	Very high	95.7	Very high	49 Å²	49	52.2 Å²	52.2	30%	0.301	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.5	176.4	60.9	0	0	0	0	112.9	W104 I147 I153	W104-T151 HydrophobicContact CZ2-CG2 3.74Å; I147-T151 HydrophobicContact CG2-CG2 4.13Å; I147-T151 WeakPolarHBondContact O-CB 3.32Å; I147-T151 PolarHBondContact O-N 2.79Å; I147-T151 PolarHBondContact O-OG1 2.79Å; T151-I153 PolarHBondContact O-N 3.26Å; T151-I153 VanDerWaalsContact OG1-CD1 3.25Å; T151-I153 WeakPolarHBondContact OG1-CD1 3.24Å; T151-I153 VanDerWaalsContact OG1-CG1 3.29Å; T151-I153 WeakPolarHBondContact OG1-CG1 3.23Å
152	T	96.5	Very high	95.6	Very high	123 Å²	123	57.2 Å²	57.2	76%	0.755	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	25.6	-178.8	68.5	0	0	0	0	114.2	E148 T149 E150	E148-T152 CarbonylContact O-C 3.56Å; E148-T152 PolarHBondContact O-N 2.73Å; T149-T152 PolarHBondContact O-N 3.21Å; E150-T152 PolarHBondContact O-N 2.66Å
153	I	96.6	Very high	95.4	Very high	88 Å²	88	61.5 Å²	61.5	45%	0.451	33%	0.328	S	S	.	.			trans	-71.9	-48.2	174.7	-64.1	169.5	0	0	0	110.4	E148 T151 Y155	E148-I153 PolarHBondContact O-N 2.83Å; T151-I153 PolarHBondContact O-N 3.26Å; T151-I153 VanDerWaalsContact OG1-CD1 3.25Å; T151-I153 WeakPolarHBondContact OG1-CD1 3.24Å; T151-I153 VanDerWaalsContact OG1-CG1 3.29Å; T151-I153 WeakPolarHBondContact OG1-CG1 3.23Å; I153-Y155 HydrophobicContact CG2-CD1 3.87Å; I153-Y155 HydrophobicContact CG2-CD2 4.25Å; I153-Y155 HydrophobicContact CG2-CE1 3.52Å; I153-Y155 HydrophobicContact CG2-CE2 3.91Å; I153-Y155 HydrophobicContact CG2-CG 4.21Å
154	G	93.3	Very high	95.1	Very high	48 Å²	48	59.1 Å²	59.1	50%	0.495	32%	0.318	S	S	.	.			trans	48	69.6	175.5	0	0	0	0	0	115	E148 G156	E148-G154 PolarHBondContact O-N 2.8Å; G154-G156 PolarHBondContact O-N 2.89Å
155	Y	95.6	Very high	94.9	Very high	168 Å²	168	60 Å²	60	66%	0.659	33%	0.327	S	S	*	.			trans	-60.5	-18.1	-175.8	-67.9	-63.7	0	0	0	114.2	E148 I153 Y157	E148-Y155 VanDerWaalsContact CD-CD2 3.43Å; E148-Y155 HydrophobicContact CG-CD2 3.53Å; E148-Y155 HydrophobicContact CG-CE2 3.96Å; E148-Y155 HydrophobicContact CG-CG 4.5Å; E148-Y155 PolarHBondContact OE2-N 3.15Å; I153-Y155 HydrophobicContact CG2-CD1 3.87Å; I153-Y155 HydrophobicContact CG2-CD2 4.25Å; I153-Y155 HydrophobicContact CG2-CE1 3.52Å; I153-Y155 HydrophobicContact CG2-CE2 3.91Å; I153-Y155 HydrophobicContact CG2-CG 4.21Å; Y155-Y157 VanDerWaalsContact C-N 3.31Å; Y155-Y157 PolarHBondContact O-N 2.93Å
156	G	93.3	Very high	94.8	Very high	51 Å²	51	64.9 Å²	64.9	53%	0.526	35%	0.351	S	S	.	.	S	Bend	trans	83.1	3.2	177.2	0	0	0	0	0	114.5	G154 V159	G154-G156 PolarHBondContact O-N 2.89Å; G156-V159 VanDerWaalsContact O-CG2 3.23Å; G156-V159 WeakPolarHBondContact O-CG2 3.42Å
157	Y	94.7	Very high	94.7	Very high	134 Å²	134	64.9 Å²	64.9	53%	0.525	35%	0.351	S	S	.	.	S	Bend	trans	-79.1	-34.9	170.1	-170.2	-94.9	0	0	0	111.8	T134 N135 Y155	T134-Y157 PolarHBondContact OG1-O 2.72Å; N135-Y157 HydrophobicContact CB-CD1 3.83Å; N135-Y157 HydrophobicContact CB-CE1 3.43Å; N135-Y157 VanDerWaalsContact CB-CE1 3.43Å; N135-Y157 PolarHBondContact ND2-O 3.14Å; Y155-Y157 VanDerWaalsContact C-N 3.31Å; Y155-Y157 PolarHBondContact O-N 2.93Å
158	R	94.7	Very high	94.6	Very high	54 Å²	54	67.4 Å²	67.4	20%	0.204	36%	0.363	C	S	.	.	S	Bend	trans	-108.5	113.9	172	-61.8	98.4	-176.7	177	5.2	108.4	V133 T134 F145 E148	V133-R158 HydrophobicContact CG1-CB 3.91Å; T134-R158 WeakPolarHBondContact O-CA 3.33Å; F145-R158 HydrophobicContact CB-CB 4.25Å; F145-R158 HydrophobicContact CB-CG 4.48Å; F145-R158 HydrophobicContact CD2-CB 3.48Å; F145-R158 VanDerWaalsContact CD2-CB 3.48Å; F145-R158 HydrophobicContact CE2-CB 4.17Å; F145-R158 WeakPolarHBondContact CE2-O 3.35Å; F145-R158 HydrophobicContact CG-CB 4.16Å; E148-R158 WeakPolarHBondContact OE1-CD 3.47Å; E148-R158 IonicContact OE1-CZ 3.99Å; E148-R158 IonicContact OE1-NE 3.27Å; E148-R158 IonicContact OE1-NH1 3.9Å; E148-R158 PolarHBondContact OE1-NH1 3.32Å
159	V	95.1	Very high	94.6	Very high	69 Å²	69	71.9 Å²	71.9	42%	0.418	39%	0.387	S	S	.	.			trans	-128	134.4	-173.3	-174.2	0	0	0	0	109.1	V133 T134 G156	V133-V159 WeakPolarHBondContact CA-O 3.15Å; T134-V159 PolarHBondContact N-O 2.74Å; T134-V159 PolarHBondContact OG1-N 3.09Å; T134-V159 PolarHBondContact OG1-O 3.25Å; G156-V159 VanDerWaalsContact O-CG2 3.23Å; G156-V159 WeakPolarHBondContact O-CG2 3.42Å
160	I	94.8	Very high	94.6	Very high	50 Å²	50	71.5 Å²	71.5	26%	0.256	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-71.2	141.8	174.6	-167.5	172.5	0	0	0	110.8	W111 C132 I168 L171	W111-I160 HydrophobicContact CH2-CD1 3.97Å; C132-I160 WeakPolarHBondContact O-CA 3.41Å; I160-I168 HydrophobicContact CD1-CG1 4.25Å; I160-L171 HydrophobicContact CD1-CB 4.18Å; I160-L171 HydrophobicContact CD1-CD2 3.94Å; I160-L171 HydrophobicContact CG2-CD2 4.23Å
161	T	93.5	Very high	94.6	Very high	29 Å²	29	72.7 Å²	72.7	18%	0.178	39%	0.39	C	S	.	.			trans	-109.8	168.3	178.8	70.7	0	0	0	0	112.4	P131 C132 T134 K163	P131-T161 WeakPolarHBondContact O-CG2 3.2Å; P131-T161 PolarHBondContact O-OG1 2.86Å; C132-T161 PolarHBondContact O-N 3.14Å; C132-T161 PolarHBondContact O-OG1 3.13Å; T134-T161 HydrophobicContact CG2-CG2 4.07Å; T161-K163 PolarHBondContact O-N 2.84Å
162	D	92.8	Very high	94.6	Very high	120 Å²	120	75.9 Å²	75.9	64%	0.642	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.5	177.8	62.8	-45.5	0	0	0	113.8
163	K	91	Very high	94.6	Very high	89 Å²	89	73.8 Å²	73.8	39%	0.387	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.1	-167.2	-55.8	-59.1	178.9	-148.9	0	115.1	R118 T130 T161	R118-K163 PolarHBondContact NH1-O 2.85Å; R118-K163 PolarHBondContact NH2-O 2.92Å; T130-K163 WeakPolarHBondContact OG1-CE 3.42Å; T130-K163 WeakPolarHBondContact OG1-CG 3.43Å; T161-K163 PolarHBondContact O-N 2.84Å
164	C	90.7	Very high	94.7	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.014	37%	0.367	C	S	.	.			trans	-124.2	99.7	-174.6	58.6	0	0	0	0	111	C132 E166 G167 I168	C132-C164 WeakPolarHBondContact CA-SG 3.44Å; C132-C164 HydrophobicContact CB-CB 3.6Å; C132-C164 WeakPolarHBondContact CB-SG 3.4Å; C132-C164 WeakPolarHBondContact SG-CB 3.48Å; C132-C164 CovalentContact SG-SG 2.02Å; C132-C164 PolarHBondContact SG-SG 2.82Å; C164-E166 PolarHBondContact O-N 3.18Å; C164-G167 PolarHBondContact O-N 3.13Å; C164-I168 PolarHBondContact O-N 2.79Å
165	P	94	Very high	94.9	Very high	86 Å²	86	69.8 Å²	69.8	56%	0.558	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-30.6	173.5	25.1	-33.5	0	0	0	112	G167 I168 I169	P165-G167 PolarHBondContact O-N 2.8Å; P165-I168 PolarHBondContact O-N 2.82Å; P165-I169 WeakPolarHBondContact O-CG1 3.47Å; P165-I169 PolarHBondContact O-N 3.11Å
166	E	94.1	Very high	94.9	Very high	115 Å²	115	65.5 Å²	65.5	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-43	175.4	-64.9	173.5	-140.2	0	0	112.4	I114 C164 I169 L170	I114-E166 HydrophobicContact CD1-CB 4.42Å; C164-E166 PolarHBondContact O-N 3.18Å; E166-I169 PolarHBondContact O-N 3.26Å; E166-L170 WeakPolarHBondContact O-CB 3.3Å; E166-L170 PolarHBondContact O-N 2.88Å
167	G	94.6	Very high	95.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-39.2	176.2	0	0	0	0	0	112.3	W111 C164 P165 L170 L171	W111-G167 VanDerWaalsContact CH2-O 3.24Å; W111-G167 WeakPolarHBondContact CH2-O 3.31Å; C164-G167 PolarHBondContact O-N 3.13Å; P165-G167 PolarHBondContact O-N 2.8Å; G167-L170 PolarHBondContact O-N 2.88Å; G167-L171 WeakPolarHBondContact O-CB 3.47Å; G167-L171 PolarHBondContact O-N 3Å
168	I	95.3	Very high	95.2	Very high	88 Å²	88	60.8 Å²	60.8	45%	0.451	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-43.1	178.1	-62.4	172.4	0	0	0	110.8	I160 C164 P165 L171 L172	I160-I168 HydrophobicContact CD1-CG1 4.25Å; C164-I168 PolarHBondContact O-N 2.79Å; P165-I168 PolarHBondContact O-N 2.82Å; I168-L171 PolarHBondContact O-N 3.14Å; I168-L172 PolarHBondContact O-N 3.03Å
169	I	96.3	Very high	95.4	Very high	100 Å²	100	62 Å²	62	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-42.7	176.7	-65.1	166.3	0	0	0	110.4	P165 E166 L172 I173	P165-I169 WeakPolarHBondContact O-CG1 3.47Å; P165-I169 PolarHBondContact O-N 3.11Å; E166-I169 PolarHBondContact O-N 3.26Å; I169-L172 PolarHBondContact O-N 3.29Å; I169-I173 HydrophobicContact CG2-CD1 3.86Å; I169-I173 HydrophobicContact CG2-CG1 4.46Å; I169-I173 WeakPolarHBondContact O-CG1 3.16Å; I169-I173 PolarHBondContact O-N 3.39Å
170	L	96.5	Very high	95.5	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-45.3	177	-179.2	62.4	0	0	0	111.8	F107 I110 W111 I114 E166 G167 L172 I173 Q174	F107-L170 HydrophobicContact CD1-CD1 3.86Å; F107-L170 HydrophobicContact CE1-CD1 3.94Å; I110-L170 HydrophobicContact CB-CD1 4.38Å; I110-L170 HydrophobicContact CB-CD2 4.16Å; I110-L170 HydrophobicContact CG2-CD1 3.8Å; I110-L170 HydrophobicContact CG2-CD2 3.62Å; I110-L170 HydrophobicContact CG2-CG 4.36Å; W111-L170 HydrophobicContact CD2-CD2 3.53Å; W111-L170 HydrophobicContact CD2-CG 4.49Å; W111-L170 HydrophobicContact CE3-CD2 3.92Å; W111-L170 HydrophobicContact CG-CD2 3.92Å; W111-L170 HydrophobicContact CH2-CB 4.36Å; W111-L170 HydrophobicContact CH2-CD2 4.24Å; W111-L170 HydrophobicContact CH2-CG 4.48Å; W111-L170 HydrophobicContact CZ2-CB 4.27Å; W111-L170 HydrophobicContact CZ2-CD2 3.88Å; W111-L170 HydrophobicContact CZ2-CG 3.98Å; W111-L170 HydrophobicContact CZ3-CD2 4.26Å; I114-L170 HydrophobicContact CD1-CB 4.16Å; I114-L170 HydrophobicContact CD1-CD2 3.57Å; I114-L170 HydrophobicContact CD1-CG 4.46Å; E166-L170 WeakPolarHBondContact O-CB 3.3Å; E166-L170 PolarHBondContact O-N 2.88Å; G167-L170 PolarHBondContact O-N 2.88Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.99Å; L170-I173 PolarHBondContact O-N 2.77Å; L170-Q174 VanDerWaalsContact O-CB 3.3Å; L170-Q174 WeakPolarHBondContact O-CB 3.15Å; L170-Q174 PolarHBondContact O-N 3.25Å
171	L	96.4	Very high	95.5	Very high	49 Å²	49	63 Å²	63	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-55.2	-47	175.2	176.5	64.3	0	0	0	110.8	W111 T149 I160 G167 I168 Q174 S175	W111-L171 HydrophobicContact CH2-CB 4.3Å; W111-L171 HydrophobicContact CZ2-CB 4.2Å; T149-L171 HydrophobicContact CG2-CD1 3.23Å; I160-L171 HydrophobicContact CD1-CB 4.18Å; I160-L171 HydrophobicContact CD1-CD2 3.94Å; I160-L171 HydrophobicContact CG2-CD2 4.23Å; G167-L171 WeakPolarHBondContact O-CB 3.47Å; G167-L171 PolarHBondContact O-N 3Å; I168-L171 PolarHBondContact O-N 3.14Å; L171-Q174 PolarHBondContact O-N 3.07Å; L171-S175 WeakPolarHBondContact O-CB 3.22Å; L171-S175 PolarHBondContact O-N 2.73Å; L171-S175 PolarHBondContact O-OG 3.24Å; L171-S175 VanDerWaalsContact O-OG 3.05Å
172	L	96.8	Very high	95.7	Very high	116 Å²	116	65.3 Å²	65.3	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-47.9	177.9	-177.5	66.6	0	0	0	112	I168 I169 L170 Q174 S175 V176	I168-L172 PolarHBondContact O-N 3.03Å; I169-L172 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.99Å; L172-Q174 VanDerWaalsContact C-N 3.35Å; L172-Q174 PolarHBondContact O-N 3.4Å; L172-S175 PolarHBondContact O-N 2.87Å; L172-V176 WeakPolarHBondContact O-CG2 3.34Å; L172-V176 PolarHBondContact O-N 2.75Å; L172-V176 VanDerWaalsContact O-N 3.11Å
173	I	97.5	Very high	95.8	Very high	79 Å²	79	62.7 Å²	62.7	41%	0.405	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-45.5	177.9	-69	171	0	0	0	110.3	F107 I169 L170 V176 L177	F107-I173 HydrophobicContact CE1-CG2 4.38Å; F107-I173 HydrophobicContact CZ-CG2 4.49Å; I169-I173 HydrophobicContact CG2-CD1 3.86Å; I169-I173 HydrophobicContact CG2-CG1 4.46Å; I169-I173 WeakPolarHBondContact O-CG1 3.16Å; I169-I173 PolarHBondContact O-N 3.39Å; L170-I173 PolarHBondContact O-N 2.77Å; I173-V176 PolarHBondContact O-N 3.31Å; I173-L177 HydrophobicContact CG2-CD1 3.97Å; I173-L177 WeakPolarHBondContact O-CB 3.43Å; I173-L177 WeakPolarHBondContact O-CD1 3.26Å; I173-L177 PolarHBondContact O-N 2.67Å
174	Q	97.6	Very high	96.1	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-44.8	179.8	-175.4	173.1	-12.4	0	0	111.8	F107 S146 L170 L171 L172 V176 G178	F107-Q174 HydrophobicContact CB-CG 4.35Å; F107-Q174 HydrophobicContact CD1-CB 3.68Å; F107-Q174 HydrophobicContact CD1-CG 3.72Å; F107-Q174 HydrophobicContact CD2-CG 3.91Å; F107-Q174 HydrophobicContact CE1-CB 3.54Å; F107-Q174 HydrophobicContact CE1-CG 3.93Å; F107-Q174 HydrophobicContact CE2-CB 4.46Å; F107-Q174 HydrophobicContact CE2-CG 4.1Å; F107-Q174 HydrophobicContact CG-CB 4.23Å; F107-Q174 HydrophobicContact CG-CG 3.73Å; F107-Q174 HydrophobicContact CZ-CB 3.97Å; F107-Q174 HydrophobicContact CZ-CG 4.12Å; S146-Q174 PolarHBondContact O-NE2 2.86Å; L170-Q174 VanDerWaalsContact O-CB 3.3Å; L170-Q174 WeakPolarHBondContact O-CB 3.15Å; L170-Q174 PolarHBondContact O-N 3.25Å; L171-Q174 PolarHBondContact O-N 3.07Å; L172-Q174 VanDerWaalsContact C-N 3.35Å; L172-Q174 PolarHBondContact O-N 3.4Å; Q174-V176 VanDerWaalsContact C-N 3.34Å; Q174-V176 PolarHBondContact O-N 2.83Å; Q174-G178 WeakPolarHBondContact O-CA 3.46Å; Q174-G178 PolarHBondContact O-N 2.67Å
175	S	96.8	Very high	96.2	Very high	52 Å²	52	62.4 Å²	62.4	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-40	177.6	-61.3	0	0	0	0	112.3	L171 L172 S179	L171-S175 WeakPolarHBondContact O-CB 3.22Å; L171-S175 PolarHBondContact O-N 2.73Å; L171-S175 PolarHBondContact O-OG 3.24Å; L171-S175 VanDerWaalsContact O-OG 3.05Å; L172-S175 PolarHBondContact O-N 2.87Å; S175-S179 WeakPolarHBondContact O-CB 3.3Å; S175-S179 PolarHBondContact O-N 2.93Å; S175-S179 VanDerWaalsContact O-N 3.16Å; S175-S179 PolarHBondContact O-OG 3.12Å
176	V	97.6	Very high	96.3	Very high	78 Å²	78	62 Å²	62	47%	0.473	35%	0.346	S	S	.	.	H	α-helix	trans	-68.3	-51.5	177.8	173.1	0	0	0	0	111.1	L172 I173 Q174 S179 I180	L172-V176 WeakPolarHBondContact O-CG2 3.34Å; L172-V176 PolarHBondContact O-N 2.75Å; L172-V176 VanDerWaalsContact O-N 3.11Å; I173-V176 PolarHBondContact O-N 3.31Å; Q174-V176 VanDerWaalsContact C-N 3.34Å; Q174-V176 PolarHBondContact O-N 2.83Å; V176-S179 PolarHBondContact O-N 3.32Å; V176-I180 HydrophobicContact CG1-CD1 4.06Å; V176-I180 WeakPolarHBondContact O-CG1 3.26Å; V176-I180 PolarHBondContact O-N 3.03Å; V176-I180 VanDerWaalsContact O-N 3.13Å
177	L	97.3	Very high	96.4	Very high	79 Å²	79	57.9 Å²	57.9	41%	0.414	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-39.6	-179	-90	69.3	0	0	0	112	F107 I173 S179 I180 V181	F107-L177 HydrophobicContact CZ-CB 4.28Å; F107-L177 HydrophobicContact CZ-CD2 4.24Å; I173-L177 HydrophobicContact CG2-CD1 3.97Å; I173-L177 WeakPolarHBondContact O-CB 3.43Å; I173-L177 WeakPolarHBondContact O-CD1 3.26Å; I173-L177 PolarHBondContact O-N 2.67Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 3.34Å; L177-I180 PolarHBondContact O-N 3.03Å; L177-V181 WeakPolarHBondContact O-CG2 3.46Å; L177-V181 PolarHBondContact O-N 3.03Å
178	G	96.8	Very high	96.4	Very high	7 Å²	7	58 Å²	58	7%	0.072	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-42	175.1	0	0	0	0	0	111.9	Q174 V181 N182	Q174-G178 WeakPolarHBondContact O-CA 3.46Å; Q174-G178 PolarHBondContact O-N 2.67Å; G178-V181 PolarHBondContact O-N 3.18Å; G178-N182 VanDerWaalsContact O-CB 3.23Å; G178-N182 WeakPolarHBondContact O-CB 3.34Å; G178-N182 PolarHBondContact O-N 3.43Å
179	S	97	Very high	96.3	Very high	80 Å²	80	55.6 Å²	55.6	56%	0.559	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-40.9	175.1	-60.4	0	0	0	0	112.5	S175 V176 L177 A183	S175-S179 WeakPolarHBondContact O-CB 3.3Å; S175-S179 PolarHBondContact O-N 2.93Å; S175-S179 VanDerWaalsContact O-N 3.16Å; S175-S179 PolarHBondContact O-OG 3.12Å; V176-S179 PolarHBondContact O-N 3.32Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 3.34Å; S179-A183 VanDerWaalsContact O-CB 3.27Å; S179-A183 WeakPolarHBondContact O-CB 3.43Å; S179-A183 PolarHBondContact O-N 3.37Å
180	I	97.2	Very high	96.2	Very high	107 Å²	107	57.6 Å²	57.6	55%	0.549	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-47.7	177.8	-66.8	166	0	0	0	110.9	V176 L177 A183 F184	V176-I180 HydrophobicContact CG1-CD1 4.06Å; V176-I180 WeakPolarHBondContact O-CG1 3.26Å; V176-I180 PolarHBondContact O-N 3.03Å; V176-I180 VanDerWaalsContact O-N 3.13Å; L177-I180 PolarHBondContact O-N 3.03Å; I180-A183 PolarHBondContact O-N 2.55Å; I180-F184 WeakPolarHBondContact O-CB 3.44Å; I180-F184 PolarHBondContact O-N 2.75Å
181	V	96.4	Very high	96.1	Very high	33 Å²	33	59.4 Å²	59.4	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-44.5	179.3	171.2	0	0	0	0	110.9	V99 T103 L177 G178 F184 M185	V99-V181 HydrophobicContact CG1-CG1 3.55Å; T103-V181 HydrophobicContact CG2-CG1 4.41Å; T103-V181 HydrophobicContact CG2-CG2 4.34Å; L177-V181 WeakPolarHBondContact O-CG2 3.46Å; L177-V181 PolarHBondContact O-N 3.03Å; G178-V181 PolarHBondContact O-N 3.18Å; V181-F184 PolarHBondContact O-N 3.28Å; V181-M185 HydrophobicContact CG1-CG 4.44Å; V181-M185 WeakPolarHBondContact O-CB 3.35Å; V181-M185 WeakPolarHBondContact O-CG 3.49Å; V181-M185 PolarHBondContact O-N 2.6Å
182	N	96.3	Very high	95.9	Very high	78 Å²	78	58 Å²	58	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-47.9	176.4	179.8	50.3	0	0	0	111.6	Y100 G178 F184 M185 V186	Y100-N182 WeakPolarHBondContact OH-CA 3.41Å; Y100-N182 PolarHBondContact OH-OD1 3.12Å; G178-N182 VanDerWaalsContact O-CB 3.23Å; G178-N182 WeakPolarHBondContact O-CB 3.34Å; G178-N182 PolarHBondContact O-N 3.43Å; N182-F184 VanDerWaalsContact C-N 3.33Å; N182-F184 PolarHBondContact O-N 3.09Å; N182-M185 PolarHBondContact O-N 2.87Å; N182-V186 WeakPolarHBondContact O-CB 3.47Å; N182-V186 WeakPolarHBondContact O-CG2 3.38Å; N182-V186 PolarHBondContact O-N 3.13Å; N182-V186 WeakPolarHBondContact OD1-CG2 3.46Å
183	A	96.5	Very high	95.7	Very high	64 Å²	64	58.2 Å²	58.2	53%	0.529	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-42.5	177.3	0	0	0	0	0	112.2	S179 I180 G187	S179-A183 VanDerWaalsContact O-CB 3.27Å; S179-A183 WeakPolarHBondContact O-CB 3.43Å; S179-A183 PolarHBondContact O-N 3.37Å; I180-A183 PolarHBondContact O-N 2.55Å; A183-G187 PolarHBondContact O-N 2.89Å
184	F	95.4	Very high	95.4	Very high	76 Å²	76	55.5 Å²	55.5	33%	0.333	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-47.1	176.7	-179.9	-99.2	0	0	0	112.1	F81 L84 I180 V181 N182 C188	F81-F184 AromaticContact CD2-CE2 3.92Å; F81-F184 HydrophobicContact CD2-CE2 3.92Å; F81-F184 HydrophobicContact CD2-CZ 4.44Å; L84-F184 HydrophobicContact CD1-CE1 3.56Å; L84-F184 HydrophobicContact CD1-CZ 3.55Å; I180-F184 WeakPolarHBondContact O-CB 3.44Å; I180-F184 PolarHBondContact O-N 2.75Å; V181-F184 PolarHBondContact O-N 3.28Å; N182-F184 VanDerWaalsContact C-N 3.33Å; N182-F184 PolarHBondContact O-N 3.09Å; F184-C188 WeakPolarHBondContact O-CB 3.41Å; F184-C188 PolarHBondContact O-N 3Å
185	M	94.7	Very high	95	Very high	10 Å²	10	57.6 Å²	57.6	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-69.8	-45	-177.6	-72.7	-58.4	169	0	0	112.9	I95 F96 V99 Y100 V181 N182 G187 C188 M189	I95-M185 HydrophobicContact CG2-CE 4.5Å; F96-M185 HydrophobicContact CD2-CB 3.94Å; F96-M185 HydrophobicContact CD2-CG 4.37Å; F96-M185 HydrophobicContact CD2-SD 4.31Å; F96-M185 HydrophobicContact CE2-CB 3.75Å; V99-M185 HydrophobicContact CB-CE 3.58Å; V99-M185 HydrophobicContact CG1-CE 3.59Å; V99-M185 HydrophobicContact CG2-CE 3.45Å; V99-M185 VanDerWaalsContact CG2-CE 3.45Å; Y100-M185 HydrophobicContact CE2-CB 4.17Å; Y100-M185 HydrophobicContact CE2-CG 4.21Å; V181-M185 HydrophobicContact CG1-CG 4.44Å; V181-M185 WeakPolarHBondContact O-CB 3.35Å; V181-M185 WeakPolarHBondContact O-CG 3.49Å; V181-M185 PolarHBondContact O-N 2.6Å; N182-M185 PolarHBondContact O-N 2.87Å; M185-G187 VanDerWaalsContact C-N 3.34Å; M185-C188 PolarHBondContact O-N 3.14Å; M185-M189 WeakPolarHBondContact O-CB 3.36Å; M185-M189 WeakPolarHBondContact O-CG 3.45Å; M185-M189 PolarHBondContact O-N 2.65Å
186	V	95.9	Very high	94.5	Very high	77 Å²	77	56.2 Å²	56.2	47%	0.467	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-41.6	175.7	173.9	0	0	0	0	110.5	N182 M189 F190	N182-V186 WeakPolarHBondContact O-CB 3.47Å; N182-V186 WeakPolarHBondContact O-CG2 3.38Å; N182-V186 PolarHBondContact O-N 3.13Å; N182-V186 WeakPolarHBondContact OD1-CG2 3.46Å; V186-M189 PolarHBondContact O-N 2.85Å; V186-F190 WeakPolarHBondContact O-CB 3.45Å; V186-F190 PolarHBondContact O-N 3.34Å
187	G	95.2	Very high	93.8	Very high	28 Å²	28	58.3 Å²	58.3	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-45.9	174.9	0	0	0	0	0	112.7	A183 M185 M189 F190 V191	A183-G187 PolarHBondContact O-N 2.89Å; M185-G187 VanDerWaalsContact C-N 3.34Å; G187-M189 PolarHBondContact O-N 3.29Å; G187-F190 PolarHBondContact O-N 3.31Å; G187-V191 WeakPolarHBondContact O-CG2 3.49Å; G187-V191 PolarHBondContact O-N 3.49Å
188	C	94.7	Very high	93.1	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-45.5	175.5	-176.7	0	0	0	0	111.8	F81 F184 M185 K192	F81-C188 HydrophobicContact CE2-CB 4.22Å; F184-C188 WeakPolarHBondContact O-CB 3.41Å; F184-C188 PolarHBondContact O-N 3Å; M185-C188 PolarHBondContact O-N 3.14Å; C188-K192 WeakPolarHBondContact O-CB 3.46Å; C188-K192 PolarHBondContact O-N 2.8Å
189	M	93.8	Very high	92.5	Very high	38 Å²	38	60.6 Å²	60.6	19%	0.187	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-44.3	177.6	-74.7	-69.4	-68.9	0	0	112.2	W89 F96 M185 V186 G187 K192 I193	W89-M189 HydrophobicContact CH2-CE 4.26Å; W89-M189 HydrophobicContact CZ3-CE 3.69Å; W89-M189 HydrophobicContact CZ3-SD 3.99Å; F96-M189 HydrophobicContact CD2-CG 4.1Å; F96-M189 HydrophobicContact CE2-CG 4.11Å; M185-M189 WeakPolarHBondContact O-CB 3.36Å; M185-M189 WeakPolarHBondContact O-CG 3.45Å; M185-M189 PolarHBondContact O-N 2.65Å; V186-M189 PolarHBondContact O-N 2.85Å; G187-M189 PolarHBondContact O-N 3.29Å; M189-K192 PolarHBondContact O-N 3.01Å; M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.45Å; M189-I193 PolarHBondContact O-N 3.28Å
190	F	94.1	Very high	92	Very high	142 Å²	142	57.9 Å²	57.9	62%	0.623	31%	0.309	S	S	*	.	H	α-helix	trans	-59.5	-50.3	177	175.9	-99.4	0	0	0	111.3	V186 G187 K192 I193 S194	V186-F190 WeakPolarHBondContact O-CB 3.45Å; V186-F190 PolarHBondContact O-N 3.34Å; G187-F190 PolarHBondContact O-N 3.31Å; F190-K192 VanDerWaalsContact C-N 3.3Å; F190-K192 PolarHBondContact O-N 3.41Å; F190-I193 PolarHBondContact O-N 3.41Å; F190-S194 WeakPolarHBondContact O-CB 3.36Å; F190-S194 PolarHBondContact O-N 2.93Å; F190-S194 PolarHBondContact O-OG 3.39Å; F190-S194 VanDerWaalsContact O-OG 3.06Å
191	V	93.2	Very high	91.6	Very high	52 Å²	52	59 Å²	59	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-45.4	177.3	174.3	0	0	0	0	110.2	F81 V85 G187 I193 S194 Q195	F81-V191 HydrophobicContact CE1-CG1 4.48Å; F81-V191 HydrophobicContact CE1-CG2 4.37Å; F81-V191 HydrophobicContact CZ-CB 4.31Å; F81-V191 HydrophobicContact CZ-CG2 3.95Å; V85-V191 HydrophobicContact CG1-CB 4.48Å; V85-V191 HydrophobicContact CG1-CG1 3.82Å; V85-V191 HydrophobicContact CG2-CB 4.42Å; V85-V191 HydrophobicContact CG2-CG1 4.21Å; G187-V191 WeakPolarHBondContact O-CG2 3.49Å; G187-V191 PolarHBondContact O-N 3.49Å; V191-I193 PolarHBondContact O-N 3.21Å; V191-S194 WeakPolarHBondContact CA-OG 3.47Å; V191-S194 PolarHBondContact O-N 3.21Å; V191-S194 PolarHBondContact O-OG 3.48Å; V191-Q195 VanDerWaalsContact O-CG 3.3Å; V191-Q195 WeakPolarHBondContact O-CG 3.41Å; V191-Q195 PolarHBondContact O-N 2.9Å; V191-Q195 VanDerWaalsContact O-N 3.11Å
192	K	93.6	Very high	91.4	Very high	20 Å²	20	58.4 Å²	58.4	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-41.8	179.2	-171.7	170.7	-170.5	59.2	0	113.6	V85 L87 W89 N92 C188 M189 F190	V85-K192 HydrophobicContact CG1-CB 4.12Å; V85-K192 PolarHBondContact O-NZ 3.5Å; L87-K192 WeakPolarHBondContact O-CE 3.34Å; L87-K192 PolarHBondContact O-NZ 2.8Å; W89-K192 HydrophobicContact CD2-CD 4.24Å; W89-K192 HydrophobicContact CE3-CD 4.19Å; W89-K192 HydrophobicContact CH2-CD 4.08Å; W89-K192 HydrophobicContact CH2-CG 4.11Å; W89-K192 HydrophobicContact CZ2-CD 4.13Å; W89-K192 HydrophobicContact CZ2-CG 3.92Å; W89-K192 HydrophobicContact CZ3-CD 4.11Å; N92-K192 HydrophobicContact CB-CD 4.26Å; N92-K192 WeakPolarHBondContact ND2-CD 3.43Å; C188-K192 WeakPolarHBondContact O-CB 3.46Å; C188-K192 PolarHBondContact O-N 2.8Å; M189-K192 PolarHBondContact O-N 3.01Å; F190-K192 VanDerWaalsContact C-N 3.3Å; F190-K192 PolarHBondContact O-N 3.41Å
193	I	92.8	Very high	91.4	Very high	121 Å²	121	55.2 Å²	55.2	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-68.3	-40.2	177.6	-68.1	168.4	0	0	0	110.6	W89 M189 F190 V191 Q195	W89-I193 HydrophobicContact CH2-CD1 4.44Å; W89-I193 HydrophobicContact CH2-CG1 3.67Å; W89-I193 HydrophobicContact CZ2-CG1 4.16Å; M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.45Å; M189-I193 PolarHBondContact O-N 3.28Å; F190-I193 PolarHBondContact O-N 3.41Å; V191-I193 PolarHBondContact O-N 3.21Å; I193-Q195 VanDerWaalsContact C-N 3.28Å; I193-Q195 PolarHBondContact O-N 3.19Å
194	S	90.5	Very high	91.4	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-77.9	-7.2	-176.6	70	0	0	0	0	114.7	F190 V191 M317	F190-S194 WeakPolarHBondContact O-CB 3.36Å; F190-S194 PolarHBondContact O-N 2.93Å; F190-S194 PolarHBondContact O-OG 3.39Å; F190-S194 VanDerWaalsContact O-OG 3.06Å; V191-S194 WeakPolarHBondContact CA-OG 3.47Å; V191-S194 PolarHBondContact O-N 3.21Å; V191-S194 PolarHBondContact O-OG 3.48Å; S194-M317 VanDerWaalsContact OG-CE 3.27Å; S194-M317 WeakPolarHBondContact OG-CE 3.4Å
195	Q	88.5	Confident	91.5	Very high	43 Å²	43	51 Å²	51	20%	0.201	26%	0.263	C	S	.	.			trans	-56.6	130.8	-176.4	-74.4	-164.6	-25.2	0	0	112.2	V85 V191 I193 K197	V85-Q195 HydrophobicContact CG1-CG 4.32Å; V191-Q195 VanDerWaalsContact O-CG 3.3Å; V191-Q195 WeakPolarHBondContact O-CG 3.41Å; V191-Q195 PolarHBondContact O-N 2.9Å; V191-Q195 VanDerWaalsContact O-N 3.11Å; I193-Q195 VanDerWaalsContact C-N 3.28Å; I193-Q195 PolarHBondContact O-N 3.19Å; Q195-K197 PolarHBondContact O-N 2.91Å; Q195-K197 VanDerWaalsContact O-N 3.09Å
196	P	87.4	Confident	91.6	Very high	24 Å²	24	50.6 Å²	50.6	16%	0.156	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-1	-175.8	32.1	-37.3	0	0	0	113.5	K198 R199 V312 M317 T318 C319	P196-K198 PolarHBondContact O-N 3.49Å; P196-K198 VanDerWaalsContact O-N 3.13Å; P196-R199 WeakPolarHBondContact O-CA 3.32Å; P196-R199 VanDerWaalsContact O-CB 3.23Å; P196-R199 WeakPolarHBondContact O-CB 3.32Å; P196-R199 PolarHBondContact O-N 3.06Å; P196-V312 HydrophobicContact CB-CG2 3.68Å; P196-M317 HydrophobicContact CB-CB 4.17Å; P196-M317 HydrophobicContact CG-CB 3.81Å; P196-T318 WeakPolarHBondContact CG-O 3.48Å; P196-C319 HydrophobicContact CB-CB 3.89Å
197	K	82.4	Confident	91.7	Very high	121 Å²	121	49.7 Å²	49.7	53%	0.526	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-32	179.3	-66.1	179.1	-176.1	170.1	0	112	D86 Q195 R199 A200	D86-K197 IonicContact OD1-NZ 3.64Å; D86-K197 PolarHBondContact OD1-NZ 3.19Å; Q195-K197 PolarHBondContact O-N 2.91Å; Q195-K197 VanDerWaalsContact O-N 3.09Å; K197-R199 VanDerWaalsContact C-N 3.33Å; K197-A200 WeakPolarHBondContact O-CB 3.49Å; K197-A200 PolarHBondContact O-N 3.37Å
198	K	82	Confident	91.8	Very high	127 Å²	127	51.4 Å²	51.4	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-72.2	-23	175.4	-70.1	-59.1	-169	177.7	0	114.2	P196 A200 E201	P196-K198 PolarHBondContact O-N 3.49Å; P196-K198 VanDerWaalsContact O-N 3.13Å; K198-A200 VanDerWaalsContact C-N 3.32Å; K198-E201 VanDerWaalsContact CD-OE2 3.31Å; K198-E201 WeakPolarHBondContact CD-OE2 3.13Å; K198-E201 VanDerWaalsContact NZ-CD 3.28Å; K198-E201 IonicContact NZ-OE1 3.35Å; K198-E201 PolarHBondContact NZ-OE1 3.21Å; K198-E201 IonicContact NZ-OE2 3.89Å; K198-E201 PolarHBondContact NZ-OE2 3.26Å; K198-E201 PolarHBondContact O-N 3.38Å
199	R	86.1	Confident	92	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-33.4	171.1	-168.8	69.1	165.2	102.6	8.7	111.4	P196 K197 E201 T202 D226 R228 S230 I232 V312 C319	P196-R199 WeakPolarHBondContact O-CA 3.32Å; P196-R199 VanDerWaalsContact O-CB 3.23Å; P196-R199 WeakPolarHBondContact O-CB 3.32Å; P196-R199 PolarHBondContact O-N 3.06Å; K197-R199 VanDerWaalsContact C-N 3.33Å; R199-E201 PolarHBondContact O-N 3.06Å; R199-T202 PolarHBondContact NH1-OG1 2.98Å; R199-T202 PolarHBondContact O-N 2.88Å; R199-T202 PolarHBondContact O-OG1 3.39Å; R199-D226 IonicContact CZ-OD1 2.8Å; R199-D226 IonicContact CZ-OD2 2.55Å; R199-D226 IonicContact NH1-OD1 2.72Å; R199-D226 PolarHBondContact NH1-OD1 3.29Å; R199-D226 IonicContact NH1-OD2 3.21Å; R199-D226 PolarHBondContact NH1-OD2 2.98Å; R199-D226 IonicContact NH2-OD1 3.01Å; R199-D226 IonicContact NH2-OD2 3.46Å; R199-D226 PolarHBondContact NH2-OD2 3.38Å; R199-R228 VanDerWaalsContact CD-NH1 3.27Å; R199-R228 VanDerWaalsContact NH1-CB 3.32Å; R199-R228 VanDerWaalsContact NH1-CD 3.25Å; R199-S230 PolarHBondContact NH2-O 2.92Å; R199-S230 PolarHBondContact NH2-OG 3.37Å; R199-I232 HydrophobicContact CG-CD1 3.92Å; R199-V312 HydrophobicContact CB-CG2 3.81Å; R199-V312 HydrophobicContact CG-CG1 4.25Å; R199-V312 HydrophobicContact CG-CG2 3.75Å; R199-C319 HydrophobicContact CB-CB 4.49Å
200	A	86.5	Confident	92.2	Very high	23 Å²	23	49.5 Å²	49.5	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-24.7	176.9	0	0	0	0	0	113.1	K197 K198 T202 L203 A321	K197-A200 WeakPolarHBondContact O-CB 3.49Å; K197-A200 PolarHBondContact O-N 3.37Å; K198-A200 VanDerWaalsContact C-N 3.32Å; A200-T202 PolarHBondContact O-N 2.95Å; A200-L203 PolarHBondContact O-N 3.22Å; A200-A321 HydrophobicContact CB-CB 4.09Å
201	E	88.7	Confident	92.3	Very high	130 Å²	130	42.8 Å²	42.8	61%	0.607	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.4	174.8	-64.8	178.3	176	0	0	112.5	K198 R199	K198-E201 VanDerWaalsContact CD-OE2 3.31Å; K198-E201 WeakPolarHBondContact CD-OE2 3.13Å; K198-E201 VanDerWaalsContact NZ-CD 3.28Å; K198-E201 IonicContact NZ-OE1 3.35Å; K198-E201 PolarHBondContact NZ-OE1 3.21Å; K198-E201 IonicContact NZ-OE2 3.89Å; K198-E201 PolarHBondContact NZ-OE2 3.26Å; K198-E201 PolarHBondContact O-N 3.38Å; R199-E201 PolarHBondContact O-N 3.06Å
202	T	92.3	Very high	92.5	Very high	22 Å²	22	40.3 Å²	40.3	14%	0.135	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.4	176.9	66	0	0	0	0	113.4	R199 A200 L227 R228	R199-T202 PolarHBondContact NH1-OG1 2.98Å; R199-T202 PolarHBondContact O-N 2.88Å; R199-T202 PolarHBondContact O-OG1 3.39Å; A200-T202 PolarHBondContact O-N 2.95Å; T202-L227 WeakPolarHBondContact O-CB 3.45Å; T202-L227 WeakPolarHBondContact O-CG 2.84Å; T202-L227 PolarHBondContact O-N 3.11Å; T202-R228 HydrophobicContact CG2-CG 4.18Å
203	L	95.2	Very high	92.7	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.4	175.3	-70.2	167.9	0	0	0	108.2	A200 D226 I232 L273 L308 A321	A200-L203 PolarHBondContact O-N 3.22Å; L203-D226 HydrophobicContact CD2-CB 3.98Å; L203-I232 HydrophobicContact CD1-CD1 4.31Å; L203-I232 HydrophobicContact CD1-CG1 4.46Å; L203-I232 HydrophobicContact CD2-CD1 4.47Å; L203-I232 HydrophobicContact CD2-CG1 4.01Å; L203-L273 HydrophobicContact CD2-CD2 4.32Å; L203-L308 HydrophobicContact CD1-CD2 3.78Å; L203-L308 HydrophobicContact CD2-CD2 4.36Å; L203-A321 HydrophobicContact CB-CB 3.79Å; L203-A321 HydrophobicContact CD1-CB 3.85Å; L203-A321 HydrophobicContact CG-CB 4.49Å
204	V	96.1	Very high	92.8	Very high	31 Å²	31	41.1 Å²	41.1	19%	0.188	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.2	-172.6	-68.7	0	0	0	0	111	V224 G225 L227 F354	V204-V224 CarbonylContact O-C 3.57Å; V204-V224 WeakPolarHBondContact O-CA 3.37Å; V204-G225 WeakPolarHBondContact CG2-O 3.35Å; V204-G225 PolarHBondContact N-O 2.96Å; V204-G225 PolarHBondContact O-N 3.31Å; V204-L227 HydrophobicContact CG1-CD1 3.76Å; V204-L227 HydrophobicContact CG1-CD2 4.39Å; V204-L227 HydrophobicContact CG1-CG 4.03Å; V204-L227 HydrophobicContact CG2-CD2 4.04Å; V204-L227 HydrophobicContact CG2-CG 4.21Å; V204-F354 HydrophobicContact CB-CE1 4.26Å; V204-F354 HydrophobicContact CB-CZ 4.26Å; V204-F354 HydrophobicContact CG2-CE1 3.95Å; V204-F354 HydrophobicContact CG2-CE2 3.98Å; V204-F354 HydrophobicContact CG2-CZ 3.59Å
205	F	97.7	Very high	92.9	Very high	21 Å²	21	47.5 Å²	47.5	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.7	172.4	-62.7	-85.4	0	0	0	109.2	R223 V224 I237 V306 L308 A321 H355	F205-R223 CarbonylContact C-O 3.56Å; F205-R223 WeakPolarHBondContact CA-O 3.49Å; F205-V224 HydrophobicContact CD1-CB 4.35Å; F205-V224 HydrophobicContact CD1-CG2 3.99Å; F205-V224 HydrophobicContact CE1-CG2 3.85Å; F205-I237 HydrophobicContact CE1-CD1 4.29Å; F205-V306 HydrophobicContact CD1-CG1 3.99Å; F205-V306 HydrophobicContact CE1-CB 4.43Å; F205-V306 HydrophobicContact CE1-CG1 3.57Å; F205-V306 HydrophobicContact CZ-CG1 4.4Å; F205-L308 HydrophobicContact CE1-CB 4.18Å; F205-L308 HydrophobicContact CZ-CB 3.78Å; F205-A321 HydrophobicContact CE2-CB 3.86Å; F205-A321 HydrophobicContact CZ-CB 4.14Å; F205-H355 PolarHBondContact O-CE1 3.4Å
206	S	97.6	Very high	93.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	26%	0.255	C	S	.	.			trans	-59.6	150.1	174.9	57.5	0	0	0	0	111	H208 R223 Y325 F336	S206-H208 VanDerWaalsContact C-N 3.28Å; S206-H208 WeakPolarHBondContact CB-O 3.22Å; S206-H208 PolarHBondContact O-N 2.83Å; S206-H208 PolarHBondContact OG-O 2.96Å; S206-R223 PolarHBondContact N-O 2.84Å; S206-R223 PolarHBondContact OG-N 2.91Å; S206-Y325 WeakPolarHBondContact O-CE1 3.39Å; S206-Y325 PolarHBondContact O-OH 3.5Å; S206-Y325 PolarHBondContact OG-OH 3.28Å; S206-F336 WeakPolarHBondContact OG-CZ 3.48Å
207	T	97	Very high	93.4	Very high	59 Å²	59	52.1 Å²	52.1	36%	0.362	27%	0.268	S	S	.	.	S	Bend	trans	-69.7	-34.5	-178.7	-40.3	0	0	0	0	110.8	K59 H355	K59-T207 WeakPolarHBondContact CE-O 3.35Å; K59-T207 PolarHBondContact NZ-O 2.86Å; T207-H355 PolarHBondContact N-ND1 2.76Å; T207-H355 PolarHBondContact OG1-ND1 2.97Å
208	H	97.9	Very high	94.1	Very high	63 Å²	63	46.7 Å²	46.7	29%	0.292	24%	0.244	S	C	.	.	S	Bend	trans	-118	151.6	180	-56.5	100	0	0	0	110.6	S206 Y325 E329 L331 F336	S206-H208 VanDerWaalsContact C-N 3.28Å; S206-H208 WeakPolarHBondContact CB-O 3.22Å; S206-H208 PolarHBondContact O-N 2.83Å; S206-H208 PolarHBondContact OG-O 2.96Å; H208-Y325 VanDerWaalsContact C-CE1 3.43Å; H208-E329 WeakPolarHBondContact CA-O 3.45Å; H208-L331 HydrophobicContact CB-CD1 3.83Å; H208-L331 HydrophobicContact CB-CG 4.07Å; H208-F336 WeakPolarHBondContact O-CZ 3.33Å
209	A	98	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	150.3	160.8	0	0	0	0	0	107.8	M221 F222 Y325 E329 I330 L331	A209-M221 CarbonylContact C-O 3.59Å; A209-M221 VanDerWaalsContact CA-O 3.24Å; A209-M221 WeakPolarHBondContact CA-O 3.07Å; A209-F222 HydrophobicContact CB-CB 4.38Å; A209-Y325 HydrophobicContact CB-CD1 3.84Å; A209-Y325 HydrophobicContact CB-CD2 4.27Å; A209-Y325 HydrophobicContact CB-CE1 4.22Å; A209-Y325 HydrophobicContact CB-CG 3.88Å; A209-E329 PolarHBondContact N-O 2.71Å; A209-I330 HydrophobicContact CB-CG1 4.36Å; A209-I330 CarbonylContact O-C 3.55Å; A209-I330 WeakPolarHBondContact O-CA 3.41Å; A209-L331 PolarHBondContact O-N 3Å
210	V	98	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.9	-178.5	-55.9	0	0	0	0	110.5	M221 L331 Y334 F336 T357	V210-M221 HydrophobicContact CG2-CB 3.87Å; V210-M221 HydrophobicContact CG2-CE 4.19Å; V210-M221 PolarHBondContact N-O 3.37Å; V210-M221 PolarHBondContact O-N 3.14Å; V210-L331 CarbonylContact C-O 3.54Å; V210-L331 VanDerWaalsContact CA-O 3.31Å; V210-L331 WeakPolarHBondContact CA-O 3.29Å; V210-L331 HydrophobicContact CG1-CB 4.35Å; V210-Y334 WeakPolarHBondContact CB-O 3.36Å; V210-Y334 WeakPolarHBondContact CG2-O 3.44Å; V210-F336 HydrophobicContact CG1-CE1 4.49Å; V210-F336 HydrophobicContact CG1-CE2 4.36Å; V210-F336 HydrophobicContact CG1-CZ 4.18Å; V210-F336 HydrophobicContact CG2-CD2 3.84Å; V210-F336 HydrophobicContact CG2-CE2 3.57Å; V210-F336 HydrophobicContact CG2-CZ 4.19Å; V210-T357 HydrophobicContact CG1-CG2 3.6Å
211	I	97.9	Very high	96	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122	171.4	-65	174.5	0	0	0	108	L218 C219 L220 I283 L297 I330 L331 W332 G333 Y334	I211-L218 HydrophobicContact CG2-CD1 3.83Å; I211-L218 HydrophobicContact CG2-CD2 4.02Å; I211-L218 HydrophobicContact CG2-CG 3.77Å; I211-C219 WeakPolarHBondContact CA-O 3.5Å; I211-L220 HydrophobicContact CD1-CD1 4.33Å; I211-L220 HydrophobicContact CG1-CB 4.22Å; I211-L220 HydrophobicContact CG1-CD1 4.33Å; I211-L220 HydrophobicContact CG1-CG 4.26Å; I211-I283 HydrophobicContact CG2-CD1 4.25Å; I211-L297 HydrophobicContact CD1-CD2 4.41Å; I211-I330 HydrophobicContact CD1-CG2 3.69Å; I211-I330 HydrophobicContact CG1-CG2 3.91Å; I211-L331 PolarHBondContact N-O 2.89Å; I211-W332 HydrophobicContact CB-CD2 4.39Å; I211-W332 HydrophobicContact CB-CE3 4.24Å; I211-W332 HydrophobicContact CD1-CE3 3.82Å; I211-W332 HydrophobicContact CD1-CZ3 3.97Å; I211-W332 HydrophobicContact CG2-CD2 4.11Å; I211-W332 HydrophobicContact CG2-CE3 4.01Å; I211-W332 HydrophobicContact CG2-CH2 4.34Å; I211-W332 HydrophobicContact CG2-CZ2 4.42Å; I211-W332 HydrophobicContact CG2-CZ3 4.13Å; I211-G333 WeakPolarHBondContact O-CA 3.49Å; I211-G333 PolarHBondContact O-N 2.81Å; I211-Y334 PolarHBondContact O-N 3.42Å
212	S	97.1	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	169.4	172.4	54	0	0	0	0	112.1	C219 M221 Y334 R335	S212-C219 PolarHBondContact N-O 2.72Å; S212-C219 PolarHBondContact O-N 2.74Å; S212-M221 WeakPolarHBondContact OG-CE 3.45Å; S212-Y334 VanDerWaalsContact CB-O 3.24Å; S212-Y334 WeakPolarHBondContact CB-O 3.14Å; S212-Y334 PolarHBondContact OG-O 3.27Å; S212-R335 WeakPolarHBondContact OG-CG 2.91Å
213	M	96.5	Very high	96.7	Very high	39 Å²	39	33.3 Å²	33.3	19%	0.192	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.4	177.3	-66.6	-64.1	-73.7	0	0	110.9	G216 K217 L218 R335 T362 P363 L370	M213-G216 VanDerWaalsContact CE-C 3.46Å; M213-G216 WeakPolarHBondContact CE-O 3.45Å; M213-K217 WeakPolarHBondContact CA-O 3.16Å; M213-L218 HydrophobicContact CG-CD1 4.35Å; M213-L218 HydrophobicContact SD-CB 4.11Å; M213-L218 HydrophobicContact SD-CD1 3.7Å; M213-R335 PolarHBondContact O-NH2 3.41Å; M213-T362 HydrophobicContact CG-CG2 4.23Å; M213-P363 VanDerWaalsContact CG-CD 3.45Å; M213-P363 HydrophobicContact CG-CG 4.16Å; M213-P363 HydrophobicContact SD-CG 4.4Å; M213-L370 HydrophobicContact SD-CD1 4.03Å
214	R	95.3	Very high	96.8	Very high	119 Å²	119	32.9 Å²	32.9	45%	0.449	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.9	172.1	-165.6	171.6	-174.5	168.6	-0.4	108.7	G216 K217	R214-G216 VanDerWaalsContact C-N 3.26Å; R214-G216 PolarHBondContact O-N 2.95Å; R214-K217 PolarHBondContact N-O 2.99Å; R214-K217 PolarHBondContact O-N 3.11Å; R214-K217 VanDerWaalsContact O-O 3.11Å
215	D	93.8	Very high	96.8	Very high	156 Å²	156	31.4 Å²	31.4	83%	0.834	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.5	-179.6	-54.5	-42.5	0	0	0	114	K217	D215-K217 PolarHBondContact O-N 3.34Å
216	G	91.8	Very high	96.7	Very high	66 Å²	66	30.5 Å²	30.5	68%	0.68	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-3.3	179.7	0	0	0	0	0	115.3	M213 R214	M213-G216 VanDerWaalsContact CE-C 3.46Å; M213-G216 WeakPolarHBondContact CE-O 3.45Å; R214-G216 VanDerWaalsContact C-N 3.26Å; R214-G216 PolarHBondContact O-N 2.95Å
217	K	94.6	Very high	96.5	Very high	99 Å²	99	34.6 Å²	34.6	43%	0.43	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.2	-178.9	-52.6	-167.3	-174.8	-175.9	0	112	M213 R214 D215 E282	M213-K217 WeakPolarHBondContact CA-O 3.16Å; R214-K217 PolarHBondContact N-O 2.99Å; R214-K217 PolarHBondContact O-N 3.11Å; R214-K217 VanDerWaalsContact O-O 3.11Å; D215-K217 PolarHBondContact O-N 3.34Å; K217-E282 HydrophobicContact CB-CG 4.34Å; K217-E282 HydrophobicContact CD-CG 3.76Å; K217-E282 WeakPolarHBondContact CD-OE1 3.04Å; K217-E282 VanDerWaalsContact CD-OE2 3.31Å; K217-E282 WeakPolarHBondContact CD-OE2 3.41Å; K217-E282 WeakPolarHBondContact CE-OE1 3.31Å; K217-E282 IonicContact NZ-OE1 2.75Å; K217-E282 PolarHBondContact NZ-OE1 2.83Å; K217-E282 IonicContact NZ-OE2 2.67Å; K217-E282 PolarHBondContact NZ-OE2 2.85Å
218	L	96.5	Very high	96.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.6	174.1	-162.6	72.1	0	0	0	109.1	I211 M213 I283 W332 T362 A367	I211-L218 HydrophobicContact CG2-CD1 3.83Å; I211-L218 HydrophobicContact CG2-CD2 4.02Å; I211-L218 HydrophobicContact CG2-CG 3.77Å; M213-L218 HydrophobicContact CG-CD1 4.35Å; M213-L218 HydrophobicContact SD-CB 4.11Å; M213-L218 HydrophobicContact SD-CD1 3.7Å; L218-I283 HydrophobicContact CB-CB 4.45Å; L218-I283 HydrophobicContact CB-CD1 4.47Å; L218-I283 HydrophobicContact CD2-CD1 3.94Å; L218-I283 HydrophobicContact CG-CD1 4.02Å; L218-I283 VanDerWaalsContact O-CB 3.28Å; L218-I283 WeakPolarHBondContact O-CB 3.34Å; L218-I283 WeakPolarHBondContact O-CG1 3.4Å; L218-I283 PolarHBondContact O-N 2.86Å; L218-W332 HydrophobicContact CD1-CZ2 4.39Å; L218-W332 HydrophobicContact CD2-CH2 3.64Å; L218-W332 HydrophobicContact CD2-CZ2 3.81Å; L218-T362 HydrophobicContact CD1-CG2 4.16Å; L218-A367 HydrophobicContact CB-CB 4.35Å; L218-A367 HydrophobicContact CD2-CB 4.14Å
219	C	97.5	Very high	96	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.4	-175.1	-63.2	0	0	0	0	111.4	I211 S212 M221 H281	I211-C219 WeakPolarHBondContact CA-O 3.5Å; S212-C219 PolarHBondContact N-O 2.72Å; S212-C219 PolarHBondContact O-N 2.74Å; C219-M221 HydrophobicContact CB-CE 4.31Å; C219-M221 HydrophobicContact CB-CG 4.34Å; C219-H281 CarbonylContact C-O 3.57Å; C219-H281 VanDerWaalsContact CA-O 3.29Å; C219-H281 WeakPolarHBondContact CA-O 3.22Å
220	L	97.7	Very high	95.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.7	167.3	-176.3	149.8	0	0	0	109	I211 F222 H281 I283 F289 I304	I211-L220 HydrophobicContact CD1-CD1 4.33Å; I211-L220 HydrophobicContact CG1-CB 4.22Å; I211-L220 HydrophobicContact CG1-CD1 4.33Å; I211-L220 HydrophobicContact CG1-CG 4.26Å; L220-F222 HydrophobicContact CD2-CD1 4.34Å; L220-H281 HydrophobicContact CB-CB 4.31Å; L220-H281 PolarHBondContact N-O 2.93Å; L220-H281 PolarHBondContact O-N 3.23Å; L220-I283 HydrophobicContact CB-CD1 4.37Å; L220-F289 HydrophobicContact CD1-CD1 4.45Å; L220-F289 HydrophobicContact CD1-CD2 4.35Å; L220-F289 HydrophobicContact CD1-CE1 4.12Å; L220-F289 HydrophobicContact CD1-CE2 4.01Å; L220-F289 HydrophobicContact CD1-CZ 3.91Å; L220-I304 HydrophobicContact CD1-CD1 3.45Å; L220-I304 VanDerWaalsContact CD1-CD1 3.45Å; L220-I304 HydrophobicContact CD2-CD1 4.09Å; L220-I304 HydrophobicContact CG-CD1 4.42Å
221	M	98.2	Very high	95.5	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140	-171.5	-70.5	172.1	-75.6	0	0	112.1	A209 V210 S212 C219 I278 I279 F336	A209-M221 CarbonylContact C-O 3.59Å; A209-M221 VanDerWaalsContact CA-O 3.24Å; A209-M221 WeakPolarHBondContact CA-O 3.07Å; V210-M221 HydrophobicContact CG2-CB 3.87Å; V210-M221 HydrophobicContact CG2-CE 4.19Å; V210-M221 PolarHBondContact N-O 3.37Å; V210-M221 PolarHBondContact O-N 3.14Å; S212-M221 WeakPolarHBondContact OG-CE 3.45Å; C219-M221 HydrophobicContact CB-CE 4.31Å; C219-M221 HydrophobicContact CB-CG 4.34Å; M221-I278 HydrophobicContact CB-CG2 3.76Å; M221-I278 HydrophobicContact CG-CG2 3.93Å; M221-I278 HydrophobicContact SD-CG2 4.05Å; M221-I279 VanDerWaalsContact CA-O 3.23Å; M221-I279 WeakPolarHBondContact CA-O 3.28Å; M221-F336 HydrophobicContact CB-CE2 4.1Å
222	F	98.1	Very high	95.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.3	167.1	59.4	-91.3	0	0	0	109.3	A209 L220 I237 I279 V306 Y325	A209-F222 HydrophobicContact CB-CB 4.38Å; L220-F222 HydrophobicContact CD2-CD1 4.34Å; F222-I237 HydrophobicContact CE2-CD1 4.18Å; F222-I237 HydrophobicContact CE2-CG1 4.18Å; F222-I237 HydrophobicContact CZ-CD1 4.4Å; F222-I237 HydrophobicContact CZ-CG1 4.06Å; F222-I279 HydrophobicContact CD1-CB 4.48Å; F222-I279 HydrophobicContact CD2-CB 4.04Å; F222-I279 HydrophobicContact CD2-CG1 4.16Å; F222-I279 HydrophobicContact CE1-CB 4.05Å; F222-I279 HydrophobicContact CE1-CG2 3.95Å; F222-I279 HydrophobicContact CE2-CB 3.54Å; F222-I279 HydrophobicContact CE2-CG1 3.57Å; F222-I279 HydrophobicContact CE2-CG2 3.97Å; F222-I279 HydrophobicContact CG-CB 4.48Å; F222-I279 HydrophobicContact CZ-CB 3.56Å; F222-I279 HydrophobicContact CZ-CG1 4.02Å; F222-I279 HydrophobicContact CZ-CG2 3.47Å; F222-I279 VanDerWaalsContact CZ-CG2 3.47Å; F222-I279 PolarHBondContact N-O 3.13Å; F222-I279 VanDerWaalsContact N-O 3.1Å; F222-I279 PolarHBondContact O-N 2.97Å; F222-V306 HydrophobicContact CD1-CG2 4.14Å; F222-V306 HydrophobicContact CD2-CG1 4.1Å; F222-V306 HydrophobicContact CD2-CG2 4.34Å; F222-V306 HydrophobicContact CE1-CG1 4.4Å; F222-V306 HydrophobicContact CE1-CG2 3.82Å; F222-V306 HydrophobicContact CE2-CB 4.33Å; F222-V306 HydrophobicContact CE2-CG1 3.34Å; F222-V306 HydrophobicContact CE2-CG2 4.06Å; F222-V306 HydrophobicContact CG-CG2 4.38Å; F222-V306 HydrophobicContact CZ-CB 4.32Å; F222-V306 HydrophobicContact CZ-CG1 3.51Å; F222-V306 HydrophobicContact CZ-CG2 3.77Å; F222-Y325 HydrophobicContact CB-CE2 3.85Å; F222-Y325 HydrophobicContact CG-CE2 4.08Å
223	R	98	Very high	95.1	Very high	6 Å²	6	51.6 Å²	51.6	2%	0.023	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.9	-178.9	176.2	-175.7	-73.5	164.9	-14.1	110.4	F205 S206 P276 L277 I278 F336 T337 V339 S353 F354	F205-R223 CarbonylContact C-O 3.56Å; F205-R223 WeakPolarHBondContact CA-O 3.49Å; S206-R223 PolarHBondContact N-O 2.84Å; S206-R223 PolarHBondContact OG-N 2.91Å; R223-P276 HydrophobicContact CG-CB 4.09Å; R223-L277 CarbonylContact C-O 3.54Å; R223-L277 VanDerWaalsContact CA-O 3.32Å; R223-L277 WeakPolarHBondContact CA-O 3.28Å; R223-I278 HydrophobicContact CB-CG1 4.44Å; R223-F336 HydrophobicContact CB-CD1 4.38Å; R223-F336 HydrophobicContact CB-CE1 4.25Å; R223-F336 HydrophobicContact CB-CE2 4.41Å; R223-F336 HydrophobicContact CB-CZ 4.28Å; R223-T337 PolarHBondContact NH1-O 2.94Å; R223-T337 VanDerWaalsContact NH1-O 3.13Å; R223-T337 PolarHBondContact NH2-O 3.34Å; R223-V339 VanDerWaalsContact NH1-CG1 3.25Å; R223-S353 PolarHBondContact NH1-O 3.17Å; R223-S353 VanDerWaalsContact NH1-O 3.14Å; R223-F354 WeakPolarHBondContact CD-O 3.36Å; R223-F354 HydrophobicContact CG-CD2 4.27Å; R223-F354 HydrophobicContact CG-CE2 3.73Å; R223-F354 HydrophobicContact CG-CZ 3.91Å; R223-F354 PolarHBondContact NH1-O 3.41Å
224	V	97.3	Very high	95	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.7	175.3	67.7	0	0	0	0	109.9	V204 F205 L271 L273 P276 L277 I279 L308	V204-V224 CarbonylContact O-C 3.57Å; V204-V224 WeakPolarHBondContact O-CA 3.37Å; F205-V224 HydrophobicContact CD1-CB 4.35Å; F205-V224 HydrophobicContact CD1-CG2 3.99Å; F205-V224 HydrophobicContact CE1-CG2 3.85Å; V224-L271 HydrophobicContact CG1-CD1 4.2Å; V224-L273 HydrophobicContact CG1-CD1 4.03Å; V224-L273 HydrophobicContact CG2-CD2 4.38Å; V224-P276 CarbonylContact O-C 3.56Å; V224-P276 WeakPolarHBondContact O-CA 3.18Å; V224-L277 HydrophobicContact CG1-CB 4.32Å; V224-L277 PolarHBondContact N-O 3.12Å; V224-L277 PolarHBondContact O-N 3.24Å; V224-I279 HydrophobicContact CG1-CD1 3.91Å; V224-I279 HydrophobicContact CG1-CG1 3.88Å; V224-L308 HydrophobicContact CG2-CD1 3.5Å; V224-L308 VanDerWaalsContact CG2-CD1 3.5Å
225	G	95.7	Very high	95.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.8	178.5	0	0	0	0	0	112.7	V204	V204-G225 WeakPolarHBondContact CG2-O 3.35Å; V204-G225 PolarHBondContact N-O 2.96Å; V204-G225 PolarHBondContact O-N 3.31Å
226	D	95.7	Very high	95.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.8	164.6	-170.5	-5.5	0	0	0	108.1	R199 L203 R228 S230 L273 Y351	R199-D226 IonicContact CZ-OD1 2.8Å; R199-D226 IonicContact CZ-OD2 2.55Å; R199-D226 IonicContact NH1-OD1 2.72Å; R199-D226 PolarHBondContact NH1-OD1 3.29Å; R199-D226 IonicContact NH1-OD2 3.21Å; R199-D226 PolarHBondContact NH1-OD2 2.98Å; R199-D226 IonicContact NH2-OD1 3.01Å; R199-D226 IonicContact NH2-OD2 3.46Å; R199-D226 PolarHBondContact NH2-OD2 3.38Å; L203-D226 HydrophobicContact CD2-CB 3.98Å; D226-R228 PolarHBondContact OD1-N 3.48Å; D226-S230 VanDerWaalsContact OD2-O 3.13Å; D226-L273 HydrophobicContact CB-CD2 4.24Å; D226-L273 HydrophobicContact CB-CG 4.42Å; D226-Y351 PolarHBondContact O-OH 3.49Å
227	L	93.7	Very high	95.5	Very high	87 Å²	87	42.8 Å²	42.8	46%	0.455	22%	0.215	S	C	.	.			trans	-85.9	-10.3	177.6	-61.8	178.7	0	0	0	113	T202 V204 Y351	T202-L227 WeakPolarHBondContact O-CB 3.45Å; T202-L227 WeakPolarHBondContact O-CG 2.84Å; T202-L227 PolarHBondContact O-N 3.11Å; V204-L227 HydrophobicContact CG1-CD1 3.76Å; V204-L227 HydrophobicContact CG1-CD2 4.39Å; V204-L227 HydrophobicContact CG1-CG 4.03Å; V204-L227 HydrophobicContact CG2-CD2 4.04Å; V204-L227 HydrophobicContact CG2-CG 4.21Å; L227-Y351 HydrophobicContact CD2-CD1 3.64Å; L227-Y351 HydrophobicContact CD2-CE1 3.39Å; L227-Y351 HydrophobicContact CD2-CG 4.31Å
228	R	92.8	Very high	95.6	Very high	125 Å²	125	42.2 Å²	42.2	47%	0.472	21%	0.21	S	C	.	.	S	Bend	trans	-102.1	156.1	179	-66	-173.7	166.8	152.5	4.1	111.2	R199 T202 D226 S230	R199-R228 VanDerWaalsContact CD-NH1 3.27Å; R199-R228 VanDerWaalsContact NH1-CB 3.32Å; R199-R228 VanDerWaalsContact NH1-CD 3.25Å; T202-R228 HydrophobicContact CG2-CG 4.18Å; D226-R228 PolarHBondContact OD1-N 3.48Å; R228-S230 VanDerWaalsContact C-N 3.34Å
229	N	91.1	Very high	95.7	Very high	161 Å²	161	42 Å²	42	86%	0.861	21%	0.209	S	C	*	.	S	Bend	trans	-73.5	-24.9	172.7	-63	-19.7	0	0	0	113.2
230	S	93	Very high	95.7	Very high	42 Å²	42	44.3 Å²	44.3	29%	0.294	22%	0.218	S	C	.	.	S	Bend	trans	-67.2	150.8	174.2	55.4	0	0	0	0	110.5	R199 D226 R228	R199-S230 PolarHBondContact NH2-O 2.92Å; R199-S230 PolarHBondContact NH2-OG 3.37Å; D226-S230 VanDerWaalsContact OD2-O 3.13Å; R228-S230 VanDerWaalsContact C-N 3.34Å
231	H	93	Very high	95.6	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.356	22%	0.22	S	C	.	.			trans	-88.7	161.1	-176.7	-61.3	-57.3	0	0	0	112.9	E313	H231-E313 PolarHBondContact N-OE2 3.29Å
232	I	93.8	Very high	95.5	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111.3	160.9	-58.1	-61.5	0	0	0	106.6	R199 L203 A235	R199-I232 HydrophobicContact CG-CD1 3.92Å; L203-I232 HydrophobicContact CD1-CD1 4.31Å; L203-I232 HydrophobicContact CD1-CG1 4.46Å; L203-I232 HydrophobicContact CD2-CD1 4.47Å; L203-I232 HydrophobicContact CD2-CG1 4.01Å; I232-A235 HydrophobicContact CB-CB 4.18Å; I232-A235 HydrophobicContact CG2-CB 3.84Å
233	V	94	Very high	95.3	Very high	63 Å²	63	48 Å²	48	38%	0.382	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139	-178.3	-178.6	0	0	0	0	108.8	A235 G310 M311 E313	V233-A235 PolarHBondContact O-N 3.09Å; V233-G310 CarbonylContact O-C 3.54Å; V233-M311 HydrophobicContact CB-CB 4.28Å; V233-M311 HydrophobicContact CG1-CE 4.12Å; V233-M311 PolarHBondContact N-O 2.71Å; V233-M311 PolarHBondContact O-N 2.76Å; V233-E313 HydrophobicContact CG2-CB 4.32Å
234	E	94.3	Very high	95	Very high	153 Å²	153	50.3 Å²	50.3	72%	0.715	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.5	40.6	-175.5	-64.6	-179.6	178.5	0	0	112.7	S236 M311	E234-S236 PolarHBondContact O-N 3.36Å; E234-M311 HydrophobicContact CB-CE 4.15Å; E234-M311 VanDerWaalsContact CD-CE 3.5Å; E234-M311 HydrophobicContact CG-CE 3.97Å; E234-M311 VanDerWaalsContact OE2-CE 3.26Å; E234-M311 WeakPolarHBondContact OE2-CE 3.37Å
235	A	96.1	Very high	94.8	Very high	2 Å²	2	55 Å²	55	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	126.9	176	0	0	0	0	0	109.9	I232 V233 R270 L271 E309	I232-A235 HydrophobicContact CB-CB 4.18Å; I232-A235 HydrophobicContact CG2-CB 3.84Å; V233-A235 PolarHBondContact O-N 3.09Å; A235-R270 CarbonylContact O-C 3.52Å; A235-R270 WeakPolarHBondContact O-CA 3.46Å; A235-L271 HydrophobicContact CB-CB 4.07Å; A235-L271 PolarHBondContact O-N 3Å; A235-E309 CarbonylContact C-O 3.52Å; A235-E309 VanDerWaalsContact CA-O 3.3Å; A235-E309 WeakPolarHBondContact CA-O 3.33Å
236	S	96.9	Very high	94.7	Very high	36 Å²	36	61.6 Å²	61.6	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.5	177.1	57.5	0	0	0	0	110.4	E234 D269 L308 E309	E234-S236 PolarHBondContact O-N 3.36Å; S236-D269 CarbonylContact C-O 3.48Å; S236-D269 VanDerWaalsContact CA-O 3.28Å; S236-D269 WeakPolarHBondContact CA-O 3.42Å; S236-L308 WeakPolarHBondContact O-CA 3.45Å; S236-E309 PolarHBondContact N-O 3.48Å; S236-E309 PolarHBondContact O-N 2.65Å
237	I	97.4	Very high	94.7	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.015	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.6	178.7	-168.6	65.9	0	0	0	110.3	F205 F222 V262 D269 L271 I279 V306 I307 L308	F205-I237 HydrophobicContact CE1-CD1 4.29Å; F222-I237 HydrophobicContact CE2-CD1 4.18Å; F222-I237 HydrophobicContact CE2-CG1 4.18Å; F222-I237 HydrophobicContact CZ-CD1 4.4Å; F222-I237 HydrophobicContact CZ-CG1 4.06Å; I237-V262 HydrophobicContact CG2-CG2 4Å; I237-V262 WeakPolarHBondContact O-CG2 3.4Å; I237-D269 HydrophobicContact CG2-CB 4.41Å; I237-D269 PolarHBondContact N-O 2.94Å; I237-L271 HydrophobicContact CB-CD1 3.93Å; I237-L271 HydrophobicContact CB-CG 4.34Å; I237-L271 HydrophobicContact CG2-CD1 4.13Å; I237-L271 HydrophobicContact CG2-CD2 3.96Å; I237-L271 HydrophobicContact CG2-CG 4.12Å; I237-I279 HydrophobicContact CG1-CG1 4.3Å; I237-I279 HydrophobicContact CG1-CG2 4.3Å; I237-I279 HydrophobicContact CG2-CD1 4.27Å; I237-I279 HydrophobicContact CG2-CG2 4.13Å; I237-V306 HydrophobicContact CD1-CG1 3.52Å; I237-V306 HydrophobicContact CG1-CG1 4.34Å; I237-I307 WeakPolarHBondContact CD1-O 3.18Å; I237-L308 HydrophobicContact CD1-CB 3.89Å; I237-L308 HydrophobicContact CD1-CD1 4.4Å; I237-L308 HydrophobicContact CD1-CG 4.47Å
238	R	97	Very high	94.8	Very high	88 Å²	88	64.2 Å²	64.2	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.4	172.1	66.1	-174.2	-170.6	-150.7	-7.4	110.4	I307 E309 Q320	R238-I307 HydrophobicContact CG-CB 3.74Å; R238-I307 HydrophobicContact CG-CD1 4.37Å; R238-I307 HydrophobicContact CG-CG1 4.43Å; R238-I307 HydrophobicContact CG-CG2 4.41Å; R238-I307 PolarHBondContact N-O 3.46Å; R238-I307 PolarHBondContact O-N 3.25Å; R238-E309 IonicContact CZ-OE1 2.92Å; R238-E309 IonicContact CZ-OE2 3.14Å; R238-E309 IonicContact NE-OE2 3.55Å; R238-E309 VanDerWaalsContact NH1-CD 3.3Å; R238-E309 IonicContact NH1-OE1 2.78Å; R238-E309 PolarHBondContact NH1-OE1 2.82Å; R238-E309 IonicContact NH1-OE2 3.53Å; R238-E309 PolarHBondContact NH1-OE2 3.25Å; R238-E309 VanDerWaalsContact NH2-CD 3.33Å; R238-E309 IonicContact NH2-OE1 3.14Å; R238-E309 PolarHBondContact NH2-OE1 3.4Å; R238-E309 IonicContact NH2-OE2 2.76Å; R238-Q320 VanDerWaalsContact NH2-NE2 3.18Å
239	A	97.7	Very high	95	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.7	178.4	0	0	0	0	0	110.3	I260 V262 I304 V305 V306	A239-I260 HydrophobicContact CB-CB 4.01Å; A239-I260 HydrophobicContact CB-CD1 4.38Å; A239-I260 PolarHBondContact O-N 2.84Å; A239-V262 HydrophobicContact CB-CG1 4.05Å; A239-I304 HydrophobicContact CB-CG2 4.48Å; A239-V305 CarbonylContact C-O 3.58Å; A239-V305 WeakPolarHBondContact CA-O 3.39Å; A239-V306 HydrophobicContact CB-CG2 4.41Å
240	K	97.4	Very high	95.2	Very high	58 Å²	58	59.9 Å²	59.9	25%	0.252	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.6	175.5	-61.1	-59.8	-169.9	-164.4	0	109.1	T258 D259 I304 V305	K240-T258 CarbonylContact C-O 3.47Å; K240-T258 WeakPolarHBondContact CA-O 3.11Å; K240-D259 HydrophobicContact CD-CB 4.29Å; K240-D259 WeakPolarHBondContact CD-OD1 3.39Å; K240-D259 WeakPolarHBondContact CE-OD1 3.16Å; K240-D259 IonicContact NZ-OD1 2.85Å; K240-D259 PolarHBondContact NZ-OD1 3.22Å; K240-I304 CarbonylContact O-C 3.43Å; K240-I304 WeakPolarHBondContact O-CA 3.38Å; K240-V305 PolarHBondContact N-O 3.34Å; K240-V305 PolarHBondContact O-N 3.21Å
241	L	96.8	Very high	95.3	Very high	10 Å²	10	63.9 Å²	63.9	5%	0.052	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.2	163.2	179.4	68	0	0	0	108.6	Q257 T258 I260 P288 F289 L302 I304	L241-Q257 WeakPolarHBondContact O-CA 3.31Å; L241-T258 WeakPolarHBondContact CB-OG1 3.28Å; L241-T258 PolarHBondContact N-O 3.08Å; L241-T258 PolarHBondContact O-N 2.96Å; L241-I260 HydrophobicContact CB-CD1 3.93Å; L241-I260 HydrophobicContact CB-CG1 4.01Å; L241-P288 HydrophobicContact CD2-CB 3.27Å; L241-P288 HydrophobicContact CD2-CG 3.75Å; L241-F289 HydrophobicContact CD1-CE2 4.5Å; L241-F289 HydrophobicContact CD1-CZ 4.01Å; L241-L302 HydrophobicContact CD1-CB 3.91Å; L241-L302 HydrophobicContact CD1-CD1 4.42Å; L241-I304 HydrophobicContact CD1-CG1 4.29Å
242	I	96	Very high	95.4	Very high	7 Å²	7	66.2 Å²	66.2	4%	0.036	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.9	174.3	-54.3	-169.3	0	0	0	107.9	Y56 L255 N256 Q257 E303 V305	Y56-I242 HydrophobicContact CD1-CD1 3.35Å; Y56-I242 HydrophobicContact CE1-CD1 3.95Å; Y56-I242 HydrophobicContact CG-CD1 4.06Å; I242-L255 HydrophobicContact CG2-CB 3.72Å; I242-L255 HydrophobicContact CG2-CD2 3.63Å; I242-L255 HydrophobicContact CG2-CG 4.25Å; I242-N256 WeakPolarHBondContact CA-O 3.41Å; I242-Q257 HydrophobicContact CG1-CG 4.3Å; I242-E303 HydrophobicContact CB-CB 4.43Å; I242-E303 PolarHBondContact N-O 3.16Å; I242-E303 PolarHBondContact O-N 3.05Å; I242-V305 HydrophobicContact CD1-CB 4.26Å; I242-V305 HydrophobicContact CD1-CG2 3.41Å; I242-V305 VanDerWaalsContact CD1-CG2 3.41Å; I242-V305 HydrophobicContact CG1-CG2 4.06Å
243	K	93.3	Very high	95.4	Very high	75 Å²	75	67.8 Å²	67.8	33%	0.326	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.1	177.6	179.4	179.2	-179.9	-169.9	0	109.4	N256 E300	K243-N256 PolarHBondContact N-O 3.32Å; K243-N256 VanDerWaalsContact N-O 3.12Å; K243-N256 VanDerWaalsContact O-CB 3.28Å; K243-N256 WeakPolarHBondContact O-CB 3.26Å; K243-N256 PolarHBondContact O-N 2.8Å; K243-E300 WeakPolarHBondContact CE-OE1 3.27Å; K243-E300 IonicContact NZ-OE1 2.74Å; K243-E300 PolarHBondContact NZ-OE1 2.92Å
244	S	92.7	Very high	95.3	Very high	54 Å²	54	69 Å²	69	38%	0.378	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135	173	-60.4	0	0	0	0	110.3	L255	S244-L255 PolarHBondContact OG-N 3.46Å
245	K	92.4	Very high	95.1	Very high	97 Å²	97	65.4 Å²	65.4	42%	0.422	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156	177.7	67.7	174.6	-77.2	-173.1	0	111.1	I253 N256	K245-I253 HydrophobicContact CD-CD1 4.34Å; K245-I253 HydrophobicContact CG-CB 4.05Å; K245-I253 HydrophobicContact CG-CD1 4.38Å; K245-I253 PolarHBondContact N-O 3.34Å; K245-I253 PolarHBondContact O-N 2.95Å; K245-N256 HydrophobicContact CD-CB 3.93Å; K245-N256 VanDerWaalsContact CD-CG 3.47Å; K245-N256 WeakPolarHBondContact CD-ND2 3.2Å; K245-N256 HydrophobicContact CG-CB 3.73Å
246	Q	94.5	Very high	95.1	Very high	140 Å²	140	67.1 Å²	67.1	65%	0.654	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.8	167.3	-168.9	171.3	13.7	0	0	108.4	E251	Q246-E251 CarbonylContact C-O 3.58Å; Q246-E251 WeakPolarHBondContact CA-O 3.48Å
247	T	95.8	Very high	95	Very high	28 Å²	28	70.5 Å²	70.5	17%	0.172	37%	0.365	C	S	.	.			trans	-80.3	166.1	177.1	76.4	0	0	0	0	111.3	E249 G250 E251 I253	T247-E249 WeakPolarHBondContact CB-OE2 3.23Å; T247-E249 PolarHBondContact O-N 3.12Å; T247-E249 PolarHBondContact OG1-N 3.46Å; T247-E249 PolarHBondContact OG1-OE2 2.67Å; T247-G250 PolarHBondContact O-N 3.14Å; T247-G250 PolarHBondContact OG1-N 2.8Å; T247-E251 HydrophobicContact CG2-CB 4.12Å; T247-E251 PolarHBondContact N-O 3.41Å; T247-E251 PolarHBondContact OG1-N 2.99Å; T247-I253 HydrophobicContact CG2-CD1 4.09Å
248	S	95.8	Very high	94.9	Very high	116 Å²	116	72.8 Å²	72.8	81%	0.811	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.9	174	26.7	0	0	0	0	112.8	G250	S248-G250 VanDerWaalsContact C-N 3.26Å; S248-G250 PolarHBondContact O-N 2.83Å
249	E	96.2	Very high	94.9	Very high	154 Å²	154	72.4 Å²	72.4	72%	0.72	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.6	180	-52.7	68.9	-143.2	0	0	112.2	T247	T247-E249 WeakPolarHBondContact CB-OE2 3.23Å; T247-E249 PolarHBondContact O-N 3.12Å; T247-E249 PolarHBondContact OG1-N 3.46Å; T247-E249 PolarHBondContact OG1-OE2 2.67Å
250	G	94.5	Very high	94.8	Very high	42 Å²	42	72.5 Å²	72.5	43%	0.433	38%	0.384	S	S	.	.			trans	97.4	2	177.2	0	0	0	0	0	115.4	T247 S248 F252	T247-G250 PolarHBondContact O-N 3.14Å; T247-G250 PolarHBondContact OG1-N 2.8Å; S248-G250 VanDerWaalsContact C-N 3.26Å; S248-G250 PolarHBondContact O-N 2.83Å; G250-F252 PolarHBondContact O-N 2.99Å
251	E	95.6	Very high	94.8	Very high	126 Å²	126	72 Å²	72	59%	0.589	38%	0.384	S	S	*	.			trans	-69.3	123.3	177.1	-173.6	-178.1	-165.5	0	0	110.4	Q246 T247 I253	Q246-E251 CarbonylContact C-O 3.58Å; Q246-E251 WeakPolarHBondContact CA-O 3.48Å; T247-E251 HydrophobicContact CG2-CB 4.12Å; T247-E251 PolarHBondContact N-O 3.41Å; T247-E251 PolarHBondContact OG1-N 2.99Å; E251-I253 HydrophobicContact CG-CG1 4.21Å
252	F	95.1	Very high	94.7	Very high	125 Å²	125	72.2 Å²	72.2	55%	0.548	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.2	172.4	178.7	-103	0	0	0	109.7	G250 P254	G250-F252 PolarHBondContact O-N 2.99Å; F252-P254 HydrophobicContact CD1-CG 4.01Å; F252-P254 HydrophobicContact CE1-CB 4.13Å; F252-P254 HydrophobicContact CE1-CG 3.8Å; F252-P254 WeakPolarHBondContact O-CD 3.08Å
253	I	94.5	Very high	94.6	Very high	46 Å²	46	72.4 Å²	72.4	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105	178.2	-55.4	175.3	0	0	0	107.9	K245 T247 E251 N256	K245-I253 HydrophobicContact CD-CD1 4.34Å; K245-I253 HydrophobicContact CG-CB 4.05Å; K245-I253 HydrophobicContact CG-CD1 4.38Å; K245-I253 PolarHBondContact N-O 3.34Å; K245-I253 PolarHBondContact O-N 2.95Å; T247-I253 HydrophobicContact CG2-CD1 4.09Å; E251-I253 HydrophobicContact CG-CG1 4.21Å; I253-N256 HydrophobicContact CB-CB 4.34Å; I253-N256 HydrophobicContact CG2-CB 3.84Å
254	P	91.4	Very high	94.6	Very high	87 Å²	87	76.5 Å²	76.5	57%	0.565	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.6	175.2	-14.7	27.6	0	0	0	110.5	F252 N256	F252-P254 HydrophobicContact CD1-CG 4.01Å; F252-P254 HydrophobicContact CE1-CB 4.13Å; F252-P254 HydrophobicContact CE1-CG 3.8Å; F252-P254 WeakPolarHBondContact O-CD 3.08Å; P254-N256 VanDerWaalsContact C-N 3.27Å; P254-N256 PolarHBondContact O-N 3.23Å
255	L	91.1	Very high	94.6	Very high	79 Å²	79	83.1 Å²	83.1	41%	0.414	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.8	46.5	172.3	-59.6	174.1	0	0	0	113.3	Y56 I242 S244 Q257	Y56-L255 HydrophobicContact CD2-CD1 3.69Å; Y56-L255 HydrophobicContact CE2-CD1 4.05Å; I242-L255 HydrophobicContact CG2-CB 3.72Å; I242-L255 HydrophobicContact CG2-CD2 3.63Å; I242-L255 HydrophobicContact CG2-CG 4.25Å; S244-L255 PolarHBondContact OG-N 3.46Å; L255-Q257 PolarHBondContact O-N 3.44Å
256	N	95.2	Very high	94.7	Very high	37 Å²	37	83 Å²	83	20%	0.198	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.6	179.3	179.7	73.5	0	0	0	110.4	I242 K243 K245 I253 P254 T258	I242-N256 WeakPolarHBondContact CA-O 3.41Å; K243-N256 PolarHBondContact N-O 3.32Å; K243-N256 VanDerWaalsContact N-O 3.12Å; K243-N256 VanDerWaalsContact O-CB 3.28Å; K243-N256 WeakPolarHBondContact O-CB 3.26Å; K243-N256 PolarHBondContact O-N 2.8Å; K245-N256 HydrophobicContact CD-CB 3.93Å; K245-N256 VanDerWaalsContact CD-CG 3.47Å; K245-N256 WeakPolarHBondContact CD-ND2 3.2Å; K245-N256 HydrophobicContact CG-CB 3.73Å; I253-N256 HydrophobicContact CB-CB 4.34Å; I253-N256 HydrophobicContact CG2-CB 3.84Å; P254-N256 VanDerWaalsContact C-N 3.27Å; P254-N256 PolarHBondContact O-N 3.23Å; N256-T258 WeakPolarHBondContact ND2-CG2 3.35Å
257	Q	95.3	Very high	94.6	Very high	107 Å²	107	77.1 Å²	77.1	50%	0.5	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.5	-176.4	-56.6	-176.1	13.7	0	0	109.7	L241 I242 L255	L241-Q257 WeakPolarHBondContact O-CA 3.31Å; I242-Q257 HydrophobicContact CG1-CG 4.3Å; L255-Q257 PolarHBondContact O-N 3.44Å
258	T	95.3	Very high	94.6	Very high	52 Å²	52	81.2 Å²	81.2	32%	0.319	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.1	172.7	57.2	0	0	0	0	109.8	K240 L241 N256	K240-T258 CarbonylContact C-O 3.47Å; K240-T258 WeakPolarHBondContact CA-O 3.11Å; L241-T258 WeakPolarHBondContact CB-OG1 3.28Å; L241-T258 PolarHBondContact N-O 3.08Å; L241-T258 PolarHBondContact O-N 2.96Å; N256-T258 WeakPolarHBondContact ND2-CG2 3.35Å
259	D	96.3	Very high	94.6	Very high	80 Å²	80	77 Å²	77	43%	0.428	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.9	178.3	-162.1	67.2	0	0	0	111.8	K240	K240-D259 HydrophobicContact CD-CB 4.29Å; K240-D259 WeakPolarHBondContact CD-OD1 3.39Å; K240-D259 WeakPolarHBondContact CE-OD1 3.16Å; K240-D259 IonicContact NZ-OD1 2.85Å; K240-D259 PolarHBondContact NZ-OD1 3.22Å
260	I	96.2	Very high	94.5	Very high	3 Å²	3	78.2 Å²	78.2	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.2	174	-61.8	172	0	0	0	107.2	A239 L241 V262 H281 F289 I304	A239-I260 HydrophobicContact CB-CB 4.01Å; A239-I260 HydrophobicContact CB-CD1 4.38Å; A239-I260 PolarHBondContact O-N 2.84Å; L241-I260 HydrophobicContact CB-CD1 3.93Å; L241-I260 HydrophobicContact CB-CG1 4.01Å; I260-V262 HydrophobicContact CG2-CG1 4.46Å; I260-V262 PolarHBondContact O-N 3.33Å; I260-H281 HydrophobicContact CG2-CB 3.94Å; I260-H281 WeakPolarHBondContact CG2-ND1 3.45Å; I260-F289 HydrophobicContact CD1-CE2 4.03Å; I260-I304 HydrophobicContact CD1-CG1 4.21Å; I260-I304 HydrophobicContact CD1-CG2 3.87Å
261	N	96.4	Very high	94.6	Very high	48 Å²	48	77.3 Å²	77.3	26%	0.257	38%	0.379	S	S	.	.			trans	-69	114.2	179.8	-180	14.5	0	0	0	111.7	G263 Y264 Y265 H281	N261-G263 PolarHBondContact OD1-N 2.92Å; N261-Y264 PolarHBondContact OD1-N 3.03Å; N261-Y264 VanDerWaalsContact OD1-N 3.1Å; N261-Y265 VanDerWaalsContact ND2-CD2 3.26Å; N261-Y265 WeakPolarHBondContact ND2-CD2 3.37Å; N261-Y265 WeakPolarHBondContact ND2-CE2 3.38Å; N261-H281 PolarHBondContact O-ND1 3.3Å
262	V	95.8	Very high	94.6	Very high	13 Å²	13	79.1 Å²	79.1	8%	0.079	39%	0.385	C	S	.	.	S	Bend	trans	-115.2	21.5	177.3	-69	0	0	0	0	112.6	I237 A239 I260 I279 H281	I237-V262 HydrophobicContact CG2-CG2 4Å; I237-V262 WeakPolarHBondContact O-CG2 3.4Å; A239-V262 HydrophobicContact CB-CG1 4.05Å; I260-V262 HydrophobicContact CG2-CG1 4.46Å; I260-V262 PolarHBondContact O-N 3.33Å; V262-I279 HydrophobicContact CB-CG2 3.9Å; V262-I279 HydrophobicContact CG1-CG2 4.03Å; V262-H281 HydrophobicContact CG1-CB 4.34Å
263	G	93	Very high	94.6	Very high	12 Å²	12	73.5 Å²	73.5	12%	0.124	36%	0.361	C	S	.	.	S	Bend	trans	123.5	11.6	-178.2	0	0	0	0	0	115	N261 Y265 T266 G267 D268 D269	N261-G263 PolarHBondContact OD1-N 2.92Å; G263-Y265 VanDerWaalsContact C-N 3.35Å; G263-Y265 PolarHBondContact O-N 2.86Å; G263-T266 PolarHBondContact O-N 3.28Å; G263-T266 PolarHBondContact O-OG1 2.8Å; G263-G267 WeakPolarHBondContact O-CA 3.38Å; G263-G267 PolarHBondContact O-N 2.88Å; G263-D268 PolarHBondContact O-N 3.29Å; G263-D269 PolarHBondContact O-N 2.91Å
264	Y	92.7	Very high	94.6	Very high	161 Å²	161	74.7 Å²	74.7	63%	0.631	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-40.5	-172.8	-178.6	-106.7	0	0	0	113.4	N261	N261-Y264 PolarHBondContact OD1-N 3.03Å; N261-Y264 VanDerWaalsContact OD1-N 3.1Å
265	Y	93.8	Very high	94.7	Very high	192 Å²	192	72.2 Å²	72.2	75%	0.753	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.3	-177.2	-57.6	-62	0	0	0	113.8	N261 G263	N261-Y265 VanDerWaalsContact ND2-CD2 3.26Å; N261-Y265 WeakPolarHBondContact ND2-CD2 3.37Å; N261-Y265 WeakPolarHBondContact ND2-CE2 3.38Å; G263-Y265 VanDerWaalsContact C-N 3.35Å; G263-Y265 PolarHBondContact O-N 2.86Å
266	T	93.9	Very high	95	Very high	96 Å²	96	69 Å²	69	59%	0.589	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-17.3	179.7	51.3	0	0	0	0	112	G263 D268	G263-T266 PolarHBondContact O-N 3.28Å; G263-T266 PolarHBondContact O-OG1 2.8Å; T266-D268 VanDerWaalsContact C-N 3.31Å; T266-D268 WeakPolarHBondContact CB-OD2 3.34Å; T266-D268 VanDerWaalsContact OG1-CG 3.29Å; T266-D268 PolarHBondContact OG1-N 2.93Å; T266-D268 PolarHBondContact OG1-OD2 3.4Å
267	G	93.4	Very high	95.1	Very high	15 Å²	15	69.8 Å²	69.8	16%	0.155	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	16.2	-171.6	0	0	0	0	0	113.4	G263 D269 R270	G263-G267 WeakPolarHBondContact O-CA 3.38Å; G263-G267 PolarHBondContact O-N 2.88Å; G267-D269 VanDerWaalsContact C-OD1 3.29Å; G267-D269 VanDerWaalsContact CA-OD1 3.29Å; G267-D269 WeakPolarHBondContact CA-OD1 3.3Å; G267-R270 WeakPolarHBondContact O-CB 3.31Å; G267-R270 PolarHBondContact O-N 3.34Å; G267-R270 PolarHBondContact O-NE 2.96Å; G267-R270 PolarHBondContact O-NH2 3.11Å
268	D	94.5	Very high	95.3	Very high	115 Å²	115	67.7 Å²	67.7	62%	0.615	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.4	173.3	-70.1	-51	0	0	0	112.3	G263 T266 R270	G263-D268 PolarHBondContact O-N 3.29Å; T266-D268 VanDerWaalsContact C-N 3.31Å; T266-D268 WeakPolarHBondContact CB-OD2 3.34Å; T266-D268 VanDerWaalsContact OG1-CG 3.29Å; T266-D268 PolarHBondContact OG1-N 2.93Å; T266-D268 PolarHBondContact OG1-OD2 3.4Å; D268-R270 PolarHBondContact O-N 3.48Å
269	D	95.4	Very high	95.4	Very high	27 Å²	27	65.7 Å²	65.7	14%	0.144	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.1	168.1	65.7	-34.7	0	0	0	112.3	S236 I237 G263 G267 L271	S236-D269 CarbonylContact C-O 3.48Å; S236-D269 VanDerWaalsContact CA-O 3.28Å; S236-D269 WeakPolarHBondContact CA-O 3.42Å; I237-D269 HydrophobicContact CG2-CB 4.41Å; I237-D269 PolarHBondContact N-O 2.94Å; G263-D269 PolarHBondContact O-N 2.91Å; G267-D269 VanDerWaalsContact C-OD1 3.29Å; G267-D269 VanDerWaalsContact CA-OD1 3.29Å; G267-D269 WeakPolarHBondContact CA-OD1 3.3Å; D269-L271 PolarHBondContact O-N 2.85Å
270	R	96	Very high	95.4	Very high	179 Å²	179	63.8 Å²	63.8	68%	0.675	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-84.5	108	172.4	-59.7	172.4	-62.3	175.5	2.1	109.5	A235 G267 D268	A235-R270 CarbonylContact O-C 3.52Å; A235-R270 WeakPolarHBondContact O-CA 3.46Å; G267-R270 WeakPolarHBondContact O-CB 3.31Å; G267-R270 PolarHBondContact O-N 3.34Å; G267-R270 PolarHBondContact O-NE 2.96Å; G267-R270 PolarHBondContact O-NH2 3.11Å; D268-R270 PolarHBondContact O-N 3.48Å
271	L	96	Very high	95.5	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.12	32%	0.315	C	S	.	.			trans	-89.4	138.6	-171.3	-54.7	-177.3	0	0	0	111.7	V224 A235 I237 D269 L273 L277 I279 L308	V224-L271 HydrophobicContact CG1-CD1 4.2Å; A235-L271 HydrophobicContact CB-CB 4.07Å; A235-L271 PolarHBondContact O-N 3Å; I237-L271 HydrophobicContact CB-CD1 3.93Å; I237-L271 HydrophobicContact CB-CG 4.34Å; I237-L271 HydrophobicContact CG2-CD1 4.13Å; I237-L271 HydrophobicContact CG2-CD2 3.96Å; I237-L271 HydrophobicContact CG2-CG 4.12Å; D269-L271 PolarHBondContact O-N 2.85Å; L271-L273 HydrophobicContact CB-CB 4.38Å; L271-L277 HydrophobicContact CB-CD1 4.38Å; L271-L277 HydrophobicContact CD2-CD1 4.3Å; L271-I279 HydrophobicContact CD1-CD1 3.99Å; L271-I279 HydrophobicContact CD2-CD1 3.69Å; L271-L308 HydrophobicContact CD1-CD1 3.98Å
272	F	95.5	Very high	95.5	Very high	164 Å²	164	65 Å²	65	72%	0.719	32%	0.319	S	S	*	.			trans	-98.5	84.9	156	179.1	-113.7	0	0	0	108.2	V274	F272-V274 HydrophobicContact CD1-CG2 4.29Å; F272-V274 HydrophobicContact CE1-CG2 3.68Å; F272-V274 HydrophobicContact CE2-CG2 3.92Å; F272-V274 HydrophobicContact CZ-CG2 3.47Å; F272-V274 VanDerWaalsContact CZ-CG2 3.47Å; F272-V274 PolarHBondContact O-N 3.27Å
273	L	94.3	Very high	95.5	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.037	32%	0.317	C	S	.	.			trans	-91.6	97.8	-171.8	-172.6	65.7	0	0	0	110.9	L203 V224 D226 L271 L277 L308	L203-L273 HydrophobicContact CD2-CD2 4.32Å; V224-L273 HydrophobicContact CG1-CD1 4.03Å; V224-L273 HydrophobicContact CG2-CD2 4.38Å; D226-L273 HydrophobicContact CB-CD2 4.24Å; D226-L273 HydrophobicContact CB-CG 4.42Å; L271-L273 HydrophobicContact CB-CB 4.38Å; L273-L277 HydrophobicContact CD1-CB 4.25Å; L273-L277 HydrophobicContact CD1-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CG 3.91Å; L273-L308 HydrophobicContact CD2-CD1 4.04Å
274	V	94.3	Very high	95.6	Very high	72 Å²	72	66.1 Å²	66.1	44%	0.436	32%	0.321	S	S	.	.	S	Bend	trans	-114.9	-66.7	170.6	-178.8	0	0	0	0	109.1	F272	F272-V274 HydrophobicContact CD1-CG2 4.29Å; F272-V274 HydrophobicContact CE1-CG2 3.68Å; F272-V274 HydrophobicContact CE2-CG2 3.92Å; F272-V274 HydrophobicContact CZ-CG2 3.47Å; F272-V274 VanDerWaalsContact CZ-CG2 3.47Å; F272-V274 PolarHBondContact O-N 3.27Å
275	S	95.1	Very high	95.7	Very high	35 Å²	35	65.2 Å²	65.2	25%	0.245	32%	0.323	C	S	.	.	S	Bend	trans	-83.7	157.3	166.5	59	0	0	0	0	110.8	L277	S275-L277 PolarHBondContact O-N 3.42Å
276	P	97	Very high	95.7	Very high	10 Å²	10	63 Å²	63	7%	0.065	32%	0.319	C	S	.	.			trans	-51.2	132.6	174	-30.4	37.2	0	0	0	113.8	R223 V224 V339 V349 Y351 F354	R223-P276 HydrophobicContact CG-CB 4.09Å; V224-P276 CarbonylContact O-C 3.56Å; V224-P276 WeakPolarHBondContact O-CA 3.18Å; P276-V339 HydrophobicContact CB-CG2 4.15Å; P276-V339 HydrophobicContact CG-CG2 4.21Å; P276-V349 HydrophobicContact CG-CG1 3.66Å; P276-Y351 HydrophobicContact CG-CE1 4.15Å; P276-F354 HydrophobicContact CB-CD2 4.02Å; P276-F354 HydrophobicContact CB-CE2 3.79Å; P276-F354 HydrophobicContact CG-CD2 3.88Å; P276-F354 HydrophobicContact CG-CE2 3.92Å
277	L	97.4	Very high	95.8	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.288	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.7	178.8	-63.5	179.6	0	0	0	110.6	R223 V224 L271 L273 S275 I279	R223-L277 CarbonylContact C-O 3.54Å; R223-L277 VanDerWaalsContact CA-O 3.32Å; R223-L277 WeakPolarHBondContact CA-O 3.28Å; V224-L277 HydrophobicContact CG1-CB 4.32Å; V224-L277 PolarHBondContact N-O 3.12Å; V224-L277 PolarHBondContact O-N 3.24Å; L271-L277 HydrophobicContact CB-CD1 4.38Å; L271-L277 HydrophobicContact CD2-CD1 4.3Å; L273-L277 HydrophobicContact CD1-CB 4.25Å; L273-L277 HydrophobicContact CD1-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CG 3.91Å; S275-L277 PolarHBondContact O-N 3.42Å; L277-I279 HydrophobicContact CB-CD1 4.32Å
278	I	97.9	Very high	95.7	Very high	63 Å²	63	60.5 Å²	60.5	32%	0.323	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.7	170.4	-60.4	171.5	0	0	0	107.3	M221 R223 F336	M221-I278 HydrophobicContact CB-CG2 3.76Å; M221-I278 HydrophobicContact CG-CG2 3.93Å; M221-I278 HydrophobicContact SD-CG2 4.05Å; R223-I278 HydrophobicContact CB-CG1 4.44Å; I278-F336 HydrophobicContact CD1-CB 3.96Å; I278-F336 HydrophobicContact CD1-CD2 4.13Å; I278-F336 HydrophobicContact CD1-CG 4.42Å; I278-F336 HydrophobicContact CG1-CD2 4.17Å; I278-F336 HydrophobicContact CG2-CD2 4.07Å; I278-F336 HydrophobicContact CG2-CE2 4.35Å
279	I	97.7	Very high	95.8	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.3	174.7	-49.9	-53.3	0	0	0	107.8	M221 F222 V224 I237 V262 L271 L277	M221-I279 VanDerWaalsContact CA-O 3.23Å; M221-I279 WeakPolarHBondContact CA-O 3.28Å; F222-I279 HydrophobicContact CD1-CB 4.48Å; F222-I279 HydrophobicContact CD2-CB 4.04Å; F222-I279 HydrophobicContact CD2-CG1 4.16Å; F222-I279 HydrophobicContact CE1-CB 4.05Å; F222-I279 HydrophobicContact CE1-CG2 3.95Å; F222-I279 HydrophobicContact CE2-CB 3.54Å; F222-I279 HydrophobicContact CE2-CG1 3.57Å; F222-I279 HydrophobicContact CE2-CG2 3.97Å; F222-I279 HydrophobicContact CG-CB 4.48Å; F222-I279 HydrophobicContact CZ-CB 3.56Å; F222-I279 HydrophobicContact CZ-CG1 4.02Å; F222-I279 HydrophobicContact CZ-CG2 3.47Å; F222-I279 VanDerWaalsContact CZ-CG2 3.47Å; F222-I279 PolarHBondContact N-O 3.13Å; F222-I279 VanDerWaalsContact N-O 3.1Å; F222-I279 PolarHBondContact O-N 2.97Å; V224-I279 HydrophobicContact CG1-CD1 3.91Å; V224-I279 HydrophobicContact CG1-CG1 3.88Å; I237-I279 HydrophobicContact CG1-CG1 4.3Å; I237-I279 HydrophobicContact CG1-CG2 4.3Å; I237-I279 HydrophobicContact CG2-CD1 4.27Å; I237-I279 HydrophobicContact CG2-CG2 4.13Å; V262-I279 HydrophobicContact CB-CG2 3.9Å; V262-I279 HydrophobicContact CG1-CG2 4.03Å; L271-I279 HydrophobicContact CD1-CD1 3.99Å; L271-I279 HydrophobicContact CD2-CD1 3.69Å; L277-I279 HydrophobicContact CB-CD1 4.32Å
280	S	97.5	Very high	95.8	Very high	41 Å²	41	56.3 Å²	56.3	29%	0.287	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120	-173	-172.5	0	0	0	0	110.5
281	H	97.5	Very high	95.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.2	168.2	168.5	58.6	0	0	0	109.3	C219 L220 I260 N261 V262 I283 S287	C219-H281 CarbonylContact C-O 3.57Å; C219-H281 VanDerWaalsContact CA-O 3.29Å; C219-H281 WeakPolarHBondContact CA-O 3.22Å; L220-H281 HydrophobicContact CB-CB 4.31Å; L220-H281 PolarHBondContact N-O 2.93Å; L220-H281 PolarHBondContact O-N 3.23Å; I260-H281 HydrophobicContact CG2-CB 3.94Å; I260-H281 WeakPolarHBondContact CG2-ND1 3.45Å; N261-H281 PolarHBondContact O-ND1 3.3Å; V262-H281 HydrophobicContact CG1-CB 4.34Å; H281-I283 PolarHBondContact O-N 3.42Å; H281-S287 WeakPolarHBondContact NE2-CB 3.14Å; H281-S287 PolarHBondContact NE2-OG 3.23Å
282	E	96.9	Very high	95.7	Very high	73 Å²	73	53 Å²	53	34%	0.341	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	122.1	172.3	-176.9	-177.1	139.8	0	0	110.3	K217 N284	K217-E282 HydrophobicContact CB-CG 4.34Å; K217-E282 HydrophobicContact CD-CG 3.76Å; K217-E282 WeakPolarHBondContact CD-OE1 3.04Å; K217-E282 VanDerWaalsContact CD-OE2 3.31Å; K217-E282 WeakPolarHBondContact CD-OE2 3.41Å; K217-E282 WeakPolarHBondContact CE-OE1 3.31Å; K217-E282 IonicContact NZ-OE1 2.75Å; K217-E282 PolarHBondContact NZ-OE1 2.83Å; K217-E282 IonicContact NZ-OE2 2.67Å; K217-E282 PolarHBondContact NZ-OE2 2.85Å; E282-N284 VanDerWaalsContact C-N 3.31Å; E282-N284 HydrophobicContact CG-CB 4.44Å; E282-N284 PolarHBondContact O-N 3.45Å
283	I	96.8	Very high	95.7	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.041	24%	0.238	C	C	.	.			trans	-81.6	82.8	176.8	-54.5	175	0	0	0	108.4	I211 L218 L220 H281 F289 W290 A367	I211-I283 HydrophobicContact CG2-CD1 4.25Å; L218-I283 HydrophobicContact CB-CB 4.45Å; L218-I283 HydrophobicContact CB-CD1 4.47Å; L218-I283 HydrophobicContact CD2-CD1 3.94Å; L218-I283 HydrophobicContact CG-CD1 4.02Å; L218-I283 VanDerWaalsContact O-CB 3.28Å; L218-I283 WeakPolarHBondContact O-CB 3.34Å; L218-I283 WeakPolarHBondContact O-CG1 3.4Å; L218-I283 PolarHBondContact O-N 2.86Å; L220-I283 HydrophobicContact CB-CD1 4.37Å; H281-I283 PolarHBondContact O-N 3.42Å; I283-F289 HydrophobicContact CD1-CB 4.01Å; I283-F289 HydrophobicContact CG1-CB 4.17Å; I283-F289 HydrophobicContact CG2-CB 3.78Å; I283-W290 WeakPolarHBondContact O-CZ3 3.49Å; I283-A367 HydrophobicContact CB-CB 4.18Å; I283-A367 HydrophobicContact CG2-CB 3.53Å
284	N	94.6	Very high	95.7	Very high	40 Å²	40	49.3 Å²	49.3	21%	0.214	25%	0.253	C	S	.	.			trans	-98	-175.6	175.5	66	14	0	0	0	111.8	E282 Q286 S287	E282-N284 VanDerWaalsContact C-N 3.31Å; E282-N284 HydrophobicContact CG-CB 4.44Å; E282-N284 PolarHBondContact O-N 3.45Å; N284-Q286 PolarHBondContact ND2-OE1 2.75Å; N284-Q286 PolarHBondContact O-N 3.14Å; N284-Q286 VanDerWaalsContact O-N 3.16Å; N284-Q286 PolarHBondContact OD1-N 2.75Å; N284-Q286 VanDerWaalsContact OD1-N 3.11Å; N284-Q286 PolarHBondContact OD1-OE1 3.49Å; N284-S287 WeakPolarHBondContact O-CB 3.41Å; N284-S287 PolarHBondContact O-N 2.95Å; N284-S287 PolarHBondContact OD1-N 2.92Å; N284-S287 VanDerWaalsContact OD1-N 3.11Å
285	Q	95.2	Very high	95.7	Very high	142 Å²	142	49.2 Å²	49.2	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.1	-179.2	-171	-179.7	5.2	0	0	113.7	S287 W290	Q285-S287 VanDerWaalsContact C-N 3.35Å; Q285-W290 HydrophobicContact CB-CZ2 4.39Å
286	Q	93.6	Very high	95.7	Very high	144 Å²	144	51.4 Å²	51.4	67%	0.673	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.1	176.8	-63	75.5	29.7	0	0	112.6	N284	N284-Q286 PolarHBondContact ND2-OE1 2.75Å; N284-Q286 PolarHBondContact O-N 3.14Å; N284-Q286 VanDerWaalsContact O-N 3.16Å; N284-Q286 PolarHBondContact OD1-N 2.75Å; N284-Q286 VanDerWaalsContact OD1-N 3.11Å; N284-Q286 PolarHBondContact OD1-OE1 3.49Å
287	S	94.4	Very high	95.5	Very high	7 Å²	7	51.2 Å²	51.2	5%	0.049	26%	0.264	C	S	.	.	S	Bend	trans	-70.6	136.5	-179.7	-179	0	0	0	0	111.2	H281 N284 Q285 F289 W290	H281-S287 WeakPolarHBondContact NE2-CB 3.14Å; H281-S287 PolarHBondContact NE2-OG 3.23Å; N284-S287 WeakPolarHBondContact O-CB 3.41Å; N284-S287 PolarHBondContact O-N 2.95Å; N284-S287 PolarHBondContact OD1-N 2.92Å; N284-S287 VanDerWaalsContact OD1-N 3.11Å; Q285-S287 VanDerWaalsContact C-N 3.35Å; S287-F289 PolarHBondContact O-N 3.02Å; S287-F289 VanDerWaalsContact O-N 3.08Å; S287-F289 PolarHBondContact OG-N 3.4Å; S287-F289 VanDerWaalsContact OG-N 3.13Å; S287-W290 VanDerWaalsContact O-CB 3.26Å; S287-W290 WeakPolarHBondContact O-CB 3.4Å; S287-W290 PolarHBondContact O-N 3.24Å; S287-W290 VanDerWaalsContact O-N 3.09Å
288	P	93.3	Very high	95.2	Very high	52 Å²	52	53.4 Å²	53.4	34%	0.338	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17	168.7	-23.8	34.4	0	0	0	114.3	L241	L241-P288 HydrophobicContact CD2-CB 3.27Å; L241-P288 HydrophobicContact CD2-CG 3.75Å
289	F	94.9	Very high	94.9	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.013	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.6	179.5	-62.2	-87	0	0	0	113.2	L220 L241 I260 I283 S287 E291 I292 L302 I304	L220-F289 HydrophobicContact CD1-CD1 4.45Å; L220-F289 HydrophobicContact CD1-CD2 4.35Å; L220-F289 HydrophobicContact CD1-CE1 4.12Å; L220-F289 HydrophobicContact CD1-CE2 4.01Å; L220-F289 HydrophobicContact CD1-CZ 3.91Å; L241-F289 HydrophobicContact CD1-CE2 4.5Å; L241-F289 HydrophobicContact CD1-CZ 4.01Å; I260-F289 HydrophobicContact CD1-CE2 4.03Å; I283-F289 HydrophobicContact CD1-CB 4.01Å; I283-F289 HydrophobicContact CG1-CB 4.17Å; I283-F289 HydrophobicContact CG2-CB 3.78Å; S287-F289 PolarHBondContact O-N 3.02Å; S287-F289 VanDerWaalsContact O-N 3.08Å; S287-F289 PolarHBondContact OG-N 3.4Å; S287-F289 VanDerWaalsContact OG-N 3.13Å; F289-E291 VanDerWaalsContact C-N 3.32Å; F289-E291 PolarHBondContact O-N 3.39Å; F289-I292 HydrophobicContact CD1-CD1 3.83Å; F289-I292 HydrophobicContact CE1-CD1 4.41Å; F289-I292 PolarHBondContact O-N 3.39Å; F289-I292 VanDerWaalsContact O-N 3.14Å; F289-L302 HydrophobicContact CE1-CD1 4.18Å; F289-L302 HydrophobicContact CE1-CD2 3.78Å; F289-L302 HydrophobicContact CZ-CD1 4.42Å; F289-L302 HydrophobicContact CZ-CD2 4.41Å; F289-I304 HydrophobicContact CE1-CD1 4.37Å; F289-I304 HydrophobicContact CE2-CD1 4.19Å; F289-I304 HydrophobicContact CZ-CD1 3.56Å; F289-I304 HydrophobicContact CZ-CG1 3.91Å
290	W	96	Very high	94.6	Very high	51 Å²	51	60.4 Å²	60.4	19%	0.193	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-42.3	-173.6	-176.6	-121.6	0	0	0	114.1	I283 Q285 S287 A367 K368 A371	I283-W290 WeakPolarHBondContact O-CZ3 3.49Å; Q285-W290 HydrophobicContact CB-CZ2 4.39Å; S287-W290 VanDerWaalsContact O-CB 3.26Å; S287-W290 WeakPolarHBondContact O-CB 3.4Å; S287-W290 PolarHBondContact O-N 3.24Å; S287-W290 VanDerWaalsContact O-N 3.09Å; W290-A367 HydrophobicContact CD2-CB 4.4Å; W290-A367 HydrophobicContact CE3-CB 3.47Å; W290-A367 VanDerWaalsContact CE3-CB 3.47Å; W290-A367 HydrophobicContact CZ3-CB 3.64Å; W290-A367 PolarHBondContact O-N 3.16Å; W290-K368 HydrophobicContact CD2-CB 4.1Å; W290-K368 HydrophobicContact CG-CB 4.26Å; W290-K368 HydrophobicContact CZ2-CB 4.13Å; W290-K368 HydrophobicContact CZ2-CG 4.44Å; W290-K368 WeakPolarHBondContact O-CB 3.27Å; W290-K368 PolarHBondContact O-N 3.11Å; W290-A371 HydrophobicContact CH2-CB 3.54Å; W290-A371 HydrophobicContact CZ2-CB 3.97Å
291	E	94.9	Very high	94.3	Very high	115 Å²	115	65.1 Å²	65.1	54%	0.537	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	6.9	-177.1	-53.8	-161.8	143.5	0	0	113.5	F289 Q296 K368	F289-E291 VanDerWaalsContact C-N 3.32Å; F289-E291 PolarHBondContact O-N 3.39Å; E291-Q296 PolarHBondContact O-OE1 3.19Å; E291-Q296 VanDerWaalsContact O-OE1 3.05Å; E291-K368 HydrophobicContact CG-CD 4.02Å; E291-K368 IonicContact OE1-NZ 2.73Å; E291-K368 PolarHBondContact OE1-NZ 3.28Å
292	I	94.8	Very high	94.1	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.087	33%	0.33	C	S	.	.			trans	-93.7	115.8	-176.1	-59	-178.2	0	0	0	109.7	F289 Q296 L297 E300 L302 W332	F289-I292 HydrophobicContact CD1-CD1 3.83Å; F289-I292 HydrophobicContact CE1-CD1 4.41Å; F289-I292 PolarHBondContact O-N 3.39Å; F289-I292 VanDerWaalsContact O-N 3.14Å; I292-Q296 HydrophobicContact CG2-CB 4.43Å; I292-L297 HydrophobicContact CG2-CB 3.96Å; I292-L297 HydrophobicContact CG2-CD1 4.2Å; I292-E300 HydrophobicContact CD1-CG 4.24Å; I292-L302 HydrophobicContact CD1-CD2 4.01Å; I292-W332 VanDerWaalsContact O-CH2 3.3Å; I292-W332 WeakPolarHBondContact O-CH2 3.49Å
293	S	95.1	Very high	94.1	Very high	14 Å²	14	62.6 Å²	62.6	10%	0.098	32%	0.317	C	S	.	.			trans	-88.8	167.8	170.5	63.4	0	0	0	0	112.8	A295 Q296 L297	S293-A295 PolarHBondContact O-N 3.14Å; S293-A295 VanDerWaalsContact O-N 3.15Å; S293-Q296 PolarHBondContact O-N 3.21Å; S293-Q296 VanDerWaalsContact OG-CD 3.26Å; S293-Q296 WeakPolarHBondContact OG-CG 3.4Å; S293-Q296 PolarHBondContact OG-N 3.11Å; S293-Q296 PolarHBondContact OG-OE1 3.01Å; S293-L297 PolarHBondContact O-N 3.17Å
294	K	95.5	Very high	94.1	Very high	80 Å²	80	62.3 Å²	62.3	35%	0.348	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.6	174.5	-174	174.5	-172.1	174.4	0	112.5	P298 W332 S364	K294-P298 WeakPolarHBondContact O-CD 3.44Å; K294-W332 HydrophobicContact CB-CD2 3.77Å; K294-W332 HydrophobicContact CB-CE3 4.39Å; K294-W332 HydrophobicContact CB-CG 3.83Å; K294-W332 HydrophobicContact CB-CZ2 4.36Å; K294-W332 HydrophobicContact CD-CB 4.37Å; K294-W332 HydrophobicContact CD-CG 3.98Å; K294-W332 HydrophobicContact CG-CB 3.94Å; K294-W332 HydrophobicContact CG-CD2 4.1Å; K294-W332 HydrophobicContact CG-CG 3.62Å; K294-S364 WeakPolarHBondContact CB-O 3.27Å; K294-S364 PolarHBondContact N-O 3.32Å
295	A	94.6	Very high	94.2	Very high	71 Å²	71	60.8 Å²	60.8	59%	0.587	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-26.4	-178.7	0	0	0	0	0	113.4	S293	S293-A295 PolarHBondContact O-N 3.14Å; S293-A295 VanDerWaalsContact O-N 3.15Å
296	Q	93.8	Very high	94.3	Very high	80 Å²	80	54 Å²	54	37%	0.374	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-33	177.7	-75.7	159.3	-34.7	0	0	111.9	E291 I292 S293 K299 E300	E291-Q296 PolarHBondContact O-OE1 3.19Å; E291-Q296 VanDerWaalsContact O-OE1 3.05Å; I292-Q296 HydrophobicContact CG2-CB 4.43Å; S293-Q296 PolarHBondContact O-N 3.21Å; S293-Q296 VanDerWaalsContact OG-CD 3.26Å; S293-Q296 WeakPolarHBondContact OG-CG 3.4Å; S293-Q296 PolarHBondContact OG-N 3.11Å; S293-Q296 PolarHBondContact OG-OE1 3.01Å; Q296-K299 WeakPolarHBondContact O-CA 3.33Å; Q296-K299 WeakPolarHBondContact O-CB 3.25Å; Q296-K299 PolarHBondContact O-N 3.13Å; Q296-E300 PolarHBondContact O-N 3.33Å
297	L	93.2	Very high	94.5	Very high	6 Å²	6	48 Å²	48	3%	0.031	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-48	-52.7	-175.9	178.8	68.5	0	0	0	112.7	I211 I292 S293 K299 E300 T327 I330 W332	I211-L297 HydrophobicContact CD1-CD2 4.41Å; I292-L297 HydrophobicContact CG2-CB 3.96Å; I292-L297 HydrophobicContact CG2-CD1 4.2Å; S293-L297 PolarHBondContact O-N 3.17Å; L297-K299 PolarHBondContact O-N 2.91Å; L297-K299 VanDerWaalsContact O-N 3.11Å; L297-E300 WeakPolarHBondContact O-CB 3.43Å; L297-E300 PolarHBondContact O-N 3.32Å; L297-T327 HydrophobicContact CD1-CG2 4.23Å; L297-T327 HydrophobicContact CG-CG2 4.27Å; L297-T327 WeakPolarHBondContact O-CG2 3.36Å; L297-I330 HydrophobicContact CD2-CB 4.19Å; L297-I330 HydrophobicContact CD2-CG2 3.93Å; L297-W332 HydrophobicContact CD2-CE3 4.08Å
298	P	91.7	Very high	94.6	Very high	102 Å²	102	47.7 Å²	47.7	66%	0.662	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-67.4	-14.1	-178.9	-20	33.9	0	0	0	115.3	K294	K294-P298 WeakPolarHBondContact O-CD 3.44Å
299	K	91.3	Very high	94.8	Very high	164 Å²	164	47.6 Å²	47.6	71%	0.713	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-87.5	-18	176.2	-58.5	178.2	-176.2	173.6	0	111.7	Q296 L297	Q296-K299 WeakPolarHBondContact O-CA 3.33Å; Q296-K299 WeakPolarHBondContact O-CB 3.25Å; Q296-K299 PolarHBondContact O-N 3.13Å; L297-K299 PolarHBondContact O-N 2.91Å; L297-K299 VanDerWaalsContact O-N 3.11Å
300	E	90.4	Very high	94.7	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.257	24%	0.244	S	C	.	.			trans	-81.7	132.5	-176.8	-141.3	61.5	-155.2	0	0	110.8	K243 I292 Q296 L297 L302 T327	K243-E300 WeakPolarHBondContact CE-OE1 3.27Å; K243-E300 IonicContact NZ-OE1 2.74Å; K243-E300 PolarHBondContact NZ-OE1 2.92Å; I292-E300 HydrophobicContact CD1-CG 4.24Å; Q296-E300 PolarHBondContact O-N 3.33Å; L297-E300 WeakPolarHBondContact O-CB 3.43Å; L297-E300 PolarHBondContact O-N 3.32Å; E300-L302 HydrophobicContact CB-CD2 3.96Å; E300-L302 HydrophobicContact CB-CG 4.38Å; E300-L302 HydrophobicContact CG-CD2 3.79Å; E300-L302 HydrophobicContact CG-CG 4.48Å; E300-L302 PolarHBondContact O-N 3.44Å; E300-T327 WeakPolarHBondContact O-CB 3.43Å; E300-T327 VanDerWaalsContact O-CG2 3.22Å; E300-T327 WeakPolarHBondContact O-CG2 3.29Å; E300-T327 PolarHBondContact O-OG1 2.81Å
301	E	91.4	Very high	94.7	Very high	140 Å²	140	47.7 Å²	47.7	65%	0.654	25%	0.246	S	C	*	.			trans	-96.2	87.8	176.6	-61.7	-178.3	161.2	0	0	108.8	I53	I53-E301 HydrophobicContact CD1-CB 3.88Å; I53-E301 HydrophobicContact CD1-CG 3.58Å; I53-E301 WeakPolarHBondContact CD1-OE1 3.3Å; I53-E301 WeakPolarHBondContact CD1-OE2 3.43Å
302	L	93.5	Very high	94.6	Very high	12 Å²	12	43 Å²	43	6%	0.063	23%	0.225	C	C	.	.			trans	-135.5	153.9	-177.3	61	79.7	0	0	0	112.5	L241 F289 I292 E300 T327 I330	L241-L302 HydrophobicContact CD1-CB 3.91Å; L241-L302 HydrophobicContact CD1-CD1 4.42Å; F289-L302 HydrophobicContact CE1-CD1 4.18Å; F289-L302 HydrophobicContact CE1-CD2 3.78Å; F289-L302 HydrophobicContact CZ-CD1 4.42Å; F289-L302 HydrophobicContact CZ-CD2 4.41Å; I292-L302 HydrophobicContact CD1-CD2 4.01Å; E300-L302 HydrophobicContact CB-CD2 3.96Å; E300-L302 HydrophobicContact CB-CG 4.38Å; E300-L302 HydrophobicContact CG-CD2 3.79Å; E300-L302 HydrophobicContact CG-CG 4.48Å; E300-L302 PolarHBondContact O-N 3.44Å; L302-T327 PolarHBondContact N-OG1 3.11Å; L302-T327 PolarHBondContact O-N 3.35Å; L302-T327 VanDerWaalsContact O-N 3.14Å; L302-T327 PolarHBondContact O-OG1 3.17Å; L302-T327 VanDerWaalsContact O-OG1 3.14Å; L302-I330 HydrophobicContact CD1-CD1 3.67Å
303	E	96.5	Very high	94.5	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.7	173.1	-179.3	176.9	174.4	0	0	109.5	R55 Y56 V57 I242 V305 S324 Y325 I326	R55-E303 WeakPolarHBondContact CA-OE2 3.33Å; Y56-E303 WeakPolarHBondContact CB-OE2 3.34Å; Y56-E303 PolarHBondContact N-OE1 3.41Å; Y56-E303 PolarHBondContact N-OE2 3.48Å; V57-E303 PolarHBondContact N-OE1 2.8Å; I242-E303 HydrophobicContact CB-CB 4.43Å; I242-E303 PolarHBondContact N-O 3.16Å; I242-E303 PolarHBondContact O-N 3.05Å; E303-V305 HydrophobicContact CG-CG2 4.29Å; E303-S324 VanDerWaalsContact OE1-CB 3.26Å; E303-S324 WeakPolarHBondContact OE1-CB 3.37Å; E303-S324 PolarHBondContact OE1-OG 3.25Å; E303-Y325 WeakPolarHBondContact CA-O 3.45Å; E303-I326 HydrophobicContact CB-CG2 4.45Å; E303-I326 HydrophobicContact CG-CG2 4.19Å
304	I	97.2	Very high	94.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.5	172.1	-57.4	172	0	0	0	107.4	L220 A239 K240 L241 I260 F289 V306 S324 Y325 I330	L220-I304 HydrophobicContact CD1-CD1 3.45Å; L220-I304 VanDerWaalsContact CD1-CD1 3.45Å; L220-I304 HydrophobicContact CD2-CD1 4.09Å; L220-I304 HydrophobicContact CG-CD1 4.42Å; A239-I304 HydrophobicContact CB-CG2 4.48Å; K240-I304 CarbonylContact O-C 3.43Å; K240-I304 WeakPolarHBondContact O-CA 3.38Å; L241-I304 HydrophobicContact CD1-CG1 4.29Å; I260-I304 HydrophobicContact CD1-CG1 4.21Å; I260-I304 HydrophobicContact CD1-CG2 3.87Å; F289-I304 HydrophobicContact CE1-CD1 4.37Å; F289-I304 HydrophobicContact CE2-CD1 4.19Å; F289-I304 HydrophobicContact CZ-CD1 3.56Å; F289-I304 HydrophobicContact CZ-CG1 3.91Å; I304-V306 HydrophobicContact CG2-CG2 4.06Å; I304-S324 CarbonylContact O-C 3.58Å; I304-S324 WeakPolarHBondContact O-CA 3.23Å; I304-S324 WeakPolarHBondContact O-CB 3.5Å; I304-Y325 PolarHBondContact N-O 2.92Å; I304-Y325 PolarHBondContact O-N 3.44Å; I304-I330 HydrophobicContact CD1-CD1 3.68Å; I304-I330 HydrophobicContact CG1-CD1 4.37Å
305	V	97.7	Very high	94.1	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.1	171.4	177.3	0	0	0	0	108.7	V57 A239 K240 I242 E303 I307	V57-V305 HydrophobicContact CB-CG2 4.17Å; V57-V305 HydrophobicContact CG2-CG1 4.03Å; V57-V305 HydrophobicContact CG2-CG2 3.82Å; A239-V305 CarbonylContact C-O 3.58Å; A239-V305 WeakPolarHBondContact CA-O 3.39Å; K240-V305 PolarHBondContact N-O 3.34Å; K240-V305 PolarHBondContact O-N 3.21Å; I242-V305 HydrophobicContact CD1-CB 4.26Å; I242-V305 HydrophobicContact CD1-CG2 3.41Å; I242-V305 VanDerWaalsContact CD1-CG2 3.41Å; I242-V305 HydrophobicContact CG1-CG2 4.06Å; E303-V305 HydrophobicContact CG-CG2 4.29Å; V305-I307 HydrophobicContact CG1-CD1 4.42Å; V305-I307 HydrophobicContact CG1-CG1 4.04Å
306	V	97.6	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.3	177.9	178.2	0	0	0	0	108.8	F205 F222 I237 A239 I304 R322 S323 Y325	F205-V306 HydrophobicContact CD1-CG1 3.99Å; F205-V306 HydrophobicContact CE1-CB 4.43Å; F205-V306 HydrophobicContact CE1-CG1 3.57Å; F205-V306 HydrophobicContact CZ-CG1 4.4Å; F222-V306 HydrophobicContact CD1-CG2 4.14Å; F222-V306 HydrophobicContact CD2-CG1 4.1Å; F222-V306 HydrophobicContact CD2-CG2 4.34Å; F222-V306 HydrophobicContact CE1-CG1 4.4Å; F222-V306 HydrophobicContact CE1-CG2 3.82Å; F222-V306 HydrophobicContact CE2-CB 4.33Å; F222-V306 HydrophobicContact CE2-CG1 3.34Å; F222-V306 HydrophobicContact CE2-CG2 4.06Å; F222-V306 HydrophobicContact CG-CG2 4.38Å; F222-V306 HydrophobicContact CZ-CB 4.32Å; F222-V306 HydrophobicContact CZ-CG1 3.51Å; F222-V306 HydrophobicContact CZ-CG2 3.77Å; I237-V306 HydrophobicContact CD1-CG1 3.52Å; I237-V306 HydrophobicContact CG1-CG1 4.34Å; A239-V306 HydrophobicContact CB-CG2 4.41Å; I304-V306 HydrophobicContact CG2-CG2 4.06Å; V306-R322 WeakPolarHBondContact O-CA 3.34Å; V306-S323 PolarHBondContact N-O 3.45Å; V306-S323 PolarHBondContact O-N 2.94Å; V306-Y325 HydrophobicContact CG2-CD2 4.01Å; V306-Y325 HydrophobicContact CG2-CE2 3.76Å
307	I	97.4	Very high	94	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116.5	-175.9	-48.2	173.3	0	0	0	108.4	I237 R238 V305 E309 Q320 A321 R322	I237-I307 WeakPolarHBondContact CD1-O 3.18Å; R238-I307 HydrophobicContact CG-CB 3.74Å; R238-I307 HydrophobicContact CG-CD1 4.37Å; R238-I307 HydrophobicContact CG-CG1 4.43Å; R238-I307 HydrophobicContact CG-CG2 4.41Å; R238-I307 PolarHBondContact N-O 3.46Å; R238-I307 PolarHBondContact O-N 3.25Å; V305-I307 HydrophobicContact CG1-CD1 4.42Å; V305-I307 HydrophobicContact CG1-CG1 4.04Å; I307-E309 HydrophobicContact CG2-CG 4.08Å; I307-Q320 HydrophobicContact CG2-CG 3.47Å; I307-Q320 VanDerWaalsContact CG2-CG 3.47Å; I307-A321 WeakPolarHBondContact CA-O 3.49Å; I307-R322 HydrophobicContact CG1-CG 4.23Å; I307-R322 HydrophobicContact CG2-CG 4.1Å
308	L	96.7	Very high	94.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.1	170.9	-172.5	144.7	0	0	0	109	L203 F205 V224 S236 I237 L271 L273 Q320 A321	L203-L308 HydrophobicContact CD1-CD2 3.78Å; L203-L308 HydrophobicContact CD2-CD2 4.36Å; F205-L308 HydrophobicContact CE1-CB 4.18Å; F205-L308 HydrophobicContact CZ-CB 3.78Å; V224-L308 HydrophobicContact CG2-CD1 3.5Å; V224-L308 VanDerWaalsContact CG2-CD1 3.5Å; S236-L308 WeakPolarHBondContact O-CA 3.45Å; I237-L308 HydrophobicContact CD1-CB 3.89Å; I237-L308 HydrophobicContact CD1-CD1 4.4Å; I237-L308 HydrophobicContact CD1-CG 4.47Å; L271-L308 HydrophobicContact CD1-CD1 3.98Å; L273-L308 HydrophobicContact CD2-CD1 4.04Å; L308-Q320 CarbonylContact O-C 3.49Å; L308-Q320 WeakPolarHBondContact O-CA 3.47Å; L308-A321 PolarHBondContact N-O 3.33Å; L308-A321 PolarHBondContact O-N 3.38Å
309	E	95.6	Very high	94.2	Very high	51 Å²	51	48.9 Å²	48.9	24%	0.238	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.6	178.3	-70	-178.9	148.4	0	0	110.2	A235 S236 R238 I307 C319 Q320	A235-E309 CarbonylContact C-O 3.52Å; A235-E309 VanDerWaalsContact CA-O 3.3Å; A235-E309 WeakPolarHBondContact CA-O 3.33Å; S236-E309 PolarHBondContact N-O 3.48Å; S236-E309 PolarHBondContact O-N 2.65Å; R238-E309 IonicContact CZ-OE1 2.92Å; R238-E309 IonicContact CZ-OE2 3.14Å; R238-E309 IonicContact NE-OE2 3.55Å; R238-E309 VanDerWaalsContact NH1-CD 3.3Å; R238-E309 IonicContact NH1-OE1 2.78Å; R238-E309 PolarHBondContact NH1-OE1 2.82Å; R238-E309 IonicContact NH1-OE2 3.53Å; R238-E309 PolarHBondContact NH1-OE2 3.25Å; R238-E309 VanDerWaalsContact NH2-CD 3.33Å; R238-E309 IonicContact NH2-OE1 3.14Å; R238-E309 PolarHBondContact NH2-OE1 3.4Å; R238-E309 IonicContact NH2-OE2 2.76Å; I307-E309 HydrophobicContact CG2-CG 4.08Å; E309-C319 WeakPolarHBondContact CA-O 3.48Å; E309-Q320 HydrophobicContact CG-CB 4.2Å; E309-Q320 HydrophobicContact CG-CG 3.82Å; E309-Q320 PolarHBondContact OE1-NE2 2.85Å
310	G	94.8	Very high	94.3	Very high	7 Å²	7	44.2 Å²	44.2	7%	0.072	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	171.7	171.9	0	0	0	0	0	111.6	V233 T318 C319	V233-G310 CarbonylContact O-C 3.54Å; G310-T318 CarbonylContact O-C 3.59Å; G310-T318 WeakPolarHBondContact O-CA 3.37Å; G310-C319 PolarHBondContact N-O 2.87Å; G310-C319 VanDerWaalsContact N-O 3.14Å; G310-C319 PolarHBondContact O-N 3.39Å; G310-C319 PolarHBondContact O-SG 3.33Å
311	M	94.6	Very high	94.6	Very high	49 Å²	49	41.8 Å²	41.8	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140	-178.6	-67.5	-178.3	-70.3	0	0	111.9	V233 E234 E313 M317 T318	V233-M311 HydrophobicContact CB-CB 4.28Å; V233-M311 HydrophobicContact CG1-CE 4.12Å; V233-M311 PolarHBondContact N-O 2.71Å; V233-M311 PolarHBondContact O-N 2.76Å; E234-M311 HydrophobicContact CB-CE 4.15Å; E234-M311 VanDerWaalsContact CD-CE 3.5Å; E234-M311 HydrophobicContact CG-CE 3.97Å; E234-M311 VanDerWaalsContact OE2-CE 3.26Å; E234-M311 WeakPolarHBondContact OE2-CE 3.37Å; M311-E313 PolarHBondContact O-N 3.26Å; M311-M317 WeakPolarHBondContact CA-O 3.5Å; M311-T318 HydrophobicContact CG-CG2 3.84Å
312	V	93.7	Very high	94.8	Very high	15 Å²	15	38.8 Å²	38.8	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.8	172.2	-173.3	0	0	0	0	108.9	P196 R199 A314 T315 G316 M317 C319	P196-V312 HydrophobicContact CB-CG2 3.68Å; R199-V312 HydrophobicContact CB-CG2 3.81Å; R199-V312 HydrophobicContact CG-CG1 4.25Å; R199-V312 HydrophobicContact CG-CG2 3.75Å; V312-A314 VanDerWaalsContact C-N 3.26Å; V312-A314 PolarHBondContact O-N 3.48Å; V312-A314 VanDerWaalsContact O-N 3.13Å; V312-T315 PolarHBondContact O-N 3.29Å; V312-G316 PolarHBondContact O-N 3.02Å; V312-M317 PolarHBondContact N-O 2.6Å; V312-C319 HydrophobicContact CG2-CB 3.97Å
313	E	92.2	Very high	95	Very high	108 Å²	108	38.4 Å²	38.4	51%	0.505	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-42.8	-175.9	-175.2	177.9	-168.9	0	0	114	H231 V233 M311	H231-E313 PolarHBondContact N-OE2 3.29Å; V233-E313 HydrophobicContact CG2-CB 4.32Å; M311-E313 PolarHBondContact O-N 3.26Å
314	A	91.8	Very high	95.1	Very high	99 Å²	99	37.9 Å²	37.9	82%	0.818	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-30.8	-175.7	0	0	0	0	0	114.9	V312	V312-A314 VanDerWaalsContact C-N 3.26Å; V312-A314 PolarHBondContact O-N 3.48Å; V312-A314 VanDerWaalsContact O-N 3.13Å
315	T	91.1	Very high	95.1	Very high	61 Å²	61	37.8 Å²	37.8	37%	0.374	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-15.7	-173.4	64.8	0	0	0	0	113.7	V312 M317	V312-T315 PolarHBondContact O-N 3.29Å; T315-M317 PolarHBondContact O-N 2.98Å; T315-M317 VanDerWaalsContact O-N 3.15Å; T315-M317 PolarHBondContact OG1-N 3Å
316	G	92	Very high	94.9	Very high	50 Å²	50	39.5 Å²	39.5	52%	0.515	23%	0.23	S	C	.	.			trans	65.9	6.7	-171.6	0	0	0	0	0	113.9	V312	V312-G316 PolarHBondContact O-N 3.02Å
317	M	93.2	Very high	94.8	Very high	64 Å²	64	40.4 Å²	40.4	32%	0.315	24%	0.236	S	C	.	.			trans	-87.3	141	-179.9	-57	-175	-153.8	0	0	110.8	S194 P196 M311 V312 T315	S194-M317 VanDerWaalsContact OG-CE 3.27Å; S194-M317 WeakPolarHBondContact OG-CE 3.4Å; P196-M317 HydrophobicContact CB-CB 4.17Å; P196-M317 HydrophobicContact CG-CB 3.81Å; M311-M317 WeakPolarHBondContact CA-O 3.5Å; V312-M317 PolarHBondContact N-O 2.6Å; T315-M317 PolarHBondContact O-N 2.98Å; T315-M317 VanDerWaalsContact O-N 3.15Å; T315-M317 PolarHBondContact OG1-N 3Å
318	T	94.7	Very high	94.6	Very high	107 Å²	107	44 Å²	44	66%	0.656	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.4	176.2	55.2	0	0	0	0	111.4	P196 G310 M311	P196-T318 WeakPolarHBondContact CG-O 3.48Å; G310-T318 CarbonylContact O-C 3.59Å; G310-T318 WeakPolarHBondContact O-CA 3.37Å; M311-T318 HydrophobicContact CG-CG2 3.84Å
319	C	94.3	Very high	94.6	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.034	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	152.5	171.2	77.9	0	0	0	0	110.7	P196 R199 E309 G310 V312	P196-C319 HydrophobicContact CB-CB 3.89Å; R199-C319 HydrophobicContact CB-CB 4.49Å; E309-C319 WeakPolarHBondContact CA-O 3.48Å; G310-C319 PolarHBondContact N-O 2.87Å; G310-C319 VanDerWaalsContact N-O 3.14Å; G310-C319 PolarHBondContact O-N 3.39Å; G310-C319 PolarHBondContact O-SG 3.33Å; V312-C319 HydrophobicContact CG2-CB 3.97Å
320	Q	94.6	Very high	94.6	Very high	67 Å²	67	43.3 Å²	43.3	31%	0.313	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.9	174.5	-175.3	-173.9	95.7	0	0	109.1	R238 I307 L308 E309 R322	R238-Q320 VanDerWaalsContact NH2-NE2 3.18Å; I307-Q320 HydrophobicContact CG2-CG 3.47Å; I307-Q320 VanDerWaalsContact CG2-CG 3.47Å; L308-Q320 CarbonylContact O-C 3.49Å; L308-Q320 WeakPolarHBondContact O-CA 3.47Å; E309-Q320 HydrophobicContact CG-CB 4.2Å; E309-Q320 HydrophobicContact CG-CG 3.82Å; E309-Q320 PolarHBondContact OE1-NE2 2.85Å; Q320-R322 HydrophobicContact CG-CG 4.22Å
321	A	95.9	Very high	94.7	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.8	171.2	0	0	0	0	0	109.4	A200 L203 F205 I307 L308	A200-A321 HydrophobicContact CB-CB 4.09Å; L203-A321 HydrophobicContact CB-CB 3.79Å; L203-A321 HydrophobicContact CD1-CB 3.85Å; L203-A321 HydrophobicContact CG-CB 4.49Å; F205-A321 HydrophobicContact CE2-CB 3.86Å; F205-A321 HydrophobicContact CZ-CB 4.14Å; I307-A321 WeakPolarHBondContact CA-O 3.49Å; L308-A321 PolarHBondContact N-O 3.33Å; L308-A321 PolarHBondContact O-N 3.38Å
322	R	96.7	Very high	94.9	Very high	78 Å²	78	43.3 Å²	43.3	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.8	-177.3	-64.9	179.5	-62.4	-72.7	-13	110	V57 G61 V306 I307 Q320	V57-R322 HydrophobicContact CG1-CB 4.49Å; G61-R322 WeakPolarHBondContact CA-O 3.42Å; G61-R322 PolarHBondContact N-O 3.02Å; G61-R322 PolarHBondContact O-NE 2.87Å; G61-R322 VanDerWaalsContact O-NE 3.12Å; G61-R322 PolarHBondContact O-NH2 3.13Å; V306-R322 WeakPolarHBondContact O-CA 3.34Å; I307-R322 HydrophobicContact CG1-CG 4.23Å; I307-R322 HydrophobicContact CG2-CG 4.1Å; Q320-R322 HydrophobicContact CG-CG 4.22Å
323	S	97.3	Very high	95	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.028	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	176.4	165.2	-159	0	0	0	0	109.8	K59 V306	K59-S323 PolarHBondContact O-OG 3.45Å; V306-S323 PolarHBondContact N-O 3.45Å; V306-S323 PolarHBondContact O-N 2.94Å
324	S	97.2	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.6	175.7	70.4	0	0	0	0	113.4	R55 V57 K59 E303 I304	R55-S324 PolarHBondContact NE-OG 3.46Å; R55-S324 PolarHBondContact NH2-O 3Å; R55-S324 PolarHBondContact NH2-OG 3.05Å; V57-S324 PolarHBondContact O-OG 2.97Å; K59-S324 VanDerWaalsContact CD-O 3.31Å; K59-S324 WeakPolarHBondContact CD-O 3.34Å; K59-S324 WeakPolarHBondContact CE-O 3.39Å; K59-S324 PolarHBondContact NZ-O 3.25Å; E303-S324 VanDerWaalsContact OE1-CB 3.26Å; E303-S324 WeakPolarHBondContact OE1-CB 3.37Å; E303-S324 PolarHBondContact OE1-OG 3.25Å; I304-S324 CarbonylContact O-C 3.58Å; I304-S324 WeakPolarHBondContact O-CA 3.23Å; I304-S324 WeakPolarHBondContact O-CB 3.5Å
325	Y	97.3	Very high	95.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.3	172.3	-56.9	-81.6	0	0	0	108.6	S206 H208 A209 F222 E303 I304 V306 E329	S206-Y325 WeakPolarHBondContact O-CE1 3.39Å; S206-Y325 PolarHBondContact O-OH 3.5Å; S206-Y325 PolarHBondContact OG-OH 3.28Å; H208-Y325 VanDerWaalsContact C-CE1 3.43Å; A209-Y325 HydrophobicContact CB-CD1 3.84Å; A209-Y325 HydrophobicContact CB-CD2 4.27Å; A209-Y325 HydrophobicContact CB-CE1 4.22Å; A209-Y325 HydrophobicContact CB-CG 3.88Å; F222-Y325 HydrophobicContact CB-CE2 3.85Å; F222-Y325 HydrophobicContact CG-CE2 4.08Å; E303-Y325 WeakPolarHBondContact CA-O 3.45Å; I304-Y325 PolarHBondContact N-O 2.92Å; I304-Y325 PolarHBondContact O-N 3.44Å; V306-Y325 HydrophobicContact CG2-CD2 4.01Å; V306-Y325 HydrophobicContact CG2-CE2 3.76Å; Y325-E329 WeakPolarHBondContact CA-OE2 3.5Å; Y325-E329 HydrophobicContact CD1-CB 4.49Å
326	I	95.3	Very high	95.9	Very high	44 Å²	44	38.5 Å²	38.5	23%	0.226	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	162.2	167.9	57	168.1	0	0	0	109.5	R55 E303 S328 E329	R55-I326 HydrophobicContact CB-CG2 3.88Å; E303-I326 HydrophobicContact CB-CG2 4.45Å; E303-I326 HydrophobicContact CG-CG2 4.19Å; I326-S328 WeakPolarHBondContact CD1-OG 3.21Å; I326-S328 PolarHBondContact O-N 2.91Å; I326-E329 HydrophobicContact CD1-CG 4.36Å; I326-E329 HydrophobicContact CG1-CB 4.3Å; I326-E329 HydrophobicContact CG1-CG 3.65Å; I326-E329 WeakPolarHBondContact CG1-OE2 3.41Å; I326-E329 PolarHBondContact N-OE2 3.4Å; I326-E329 WeakPolarHBondContact O-CA 3.42Å; I326-E329 WeakPolarHBondContact O-CB 3.29Å; I326-E329 PolarHBondContact O-N 3.13Å
327	T	94.6	Very high	96.2	Very high	19 Å²	19	37.3 Å²	37.3	12%	0.117	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-43.7	-42.8	179.3	-51.7	0	0	0	0	114.7	L297 E300 L302 E329 I330	L297-T327 HydrophobicContact CD1-CG2 4.23Å; L297-T327 HydrophobicContact CG-CG2 4.27Å; L297-T327 WeakPolarHBondContact O-CG2 3.36Å; E300-T327 WeakPolarHBondContact O-CB 3.43Å; E300-T327 VanDerWaalsContact O-CG2 3.22Å; E300-T327 WeakPolarHBondContact O-CG2 3.29Å; E300-T327 PolarHBondContact O-OG1 2.81Å; L302-T327 PolarHBondContact N-OG1 3.11Å; L302-T327 PolarHBondContact O-N 3.35Å; L302-T327 VanDerWaalsContact O-N 3.14Å; L302-T327 PolarHBondContact O-OG1 3.17Å; L302-T327 VanDerWaalsContact O-OG1 3.14Å; T327-E329 PolarHBondContact O-N 3.46Å; T327-I330 PolarHBondContact O-N 3.02Å
328	S	93.4	Very high	96.3	Very high	93 Å²	93	39 Å²	39	65%	0.65	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-72.5	-13.8	-178.7	59.6	0	0	0	0	114.6	I326	I326-S328 WeakPolarHBondContact CD1-OG 3.21Å; I326-S328 PolarHBondContact O-N 2.91Å
329	E	96.1	Very high	96.4	Very high	28 Å²	28	34.4 Å²	34.4	13%	0.131	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-96.8	4.4	178.8	-62.3	166.1	165.9	0	0	111.7	R55 K59 H208 A209 Y325 I326 T327	R55-E329 IonicContact CZ-OE1 3.5Å; R55-E329 IonicContact CZ-OE2 2.87Å; R55-E329 IonicContact NH1-OE1 3.67Å; R55-E329 PolarHBondContact NH1-OE1 3.13Å; R55-E329 IonicContact NH1-OE2 2.75Å; R55-E329 IonicContact NH2-OE1 2.72Å; R55-E329 PolarHBondContact NH2-OE1 3.27Å; R55-E329 IonicContact NH2-OE2 3.54Å; R55-E329 PolarHBondContact NH2-OE2 3.43Å; K59-E329 WeakPolarHBondContact CE-OE1 3.43Å; K59-E329 WeakPolarHBondContact CE-OE2 3.25Å; K59-E329 VanDerWaalsContact NZ-CD 3.27Å; K59-E329 IonicContact NZ-OE1 3.45Å; K59-E329 IonicContact NZ-OE2 3.66Å; K59-E329 PolarHBondContact NZ-OE2 2.99Å; H208-E329 WeakPolarHBondContact CA-O 3.45Å; A209-E329 PolarHBondContact N-O 2.71Å; Y325-E329 WeakPolarHBondContact CA-OE2 3.5Å; Y325-E329 HydrophobicContact CD1-CB 4.49Å; I326-E329 HydrophobicContact CD1-CG 4.36Å; I326-E329 HydrophobicContact CG1-CB 4.3Å; I326-E329 HydrophobicContact CG1-CG 3.65Å; I326-E329 WeakPolarHBondContact CG1-OE2 3.41Å; I326-E329 PolarHBondContact N-OE2 3.4Å; I326-E329 WeakPolarHBondContact O-CA 3.42Å; I326-E329 WeakPolarHBondContact O-CB 3.29Å; I326-E329 PolarHBondContact O-N 3.13Å; T327-E329 PolarHBondContact O-N 3.46Å
330	I	96.8	Very high	96.4	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.8	176.2	-54.9	173.2	0	0	0	108.5	A209 I211 L297 L302 I304 T327	A209-I330 HydrophobicContact CB-CG1 4.36Å; A209-I330 CarbonylContact O-C 3.55Å; A209-I330 WeakPolarHBondContact O-CA 3.41Å; I211-I330 HydrophobicContact CD1-CG2 3.69Å; I211-I330 HydrophobicContact CG1-CG2 3.91Å; L297-I330 HydrophobicContact CD2-CB 4.19Å; L297-I330 HydrophobicContact CD2-CG2 3.93Å; L302-I330 HydrophobicContact CD1-CD1 3.67Å; I304-I330 HydrophobicContact CD1-CD1 3.68Å; I304-I330 HydrophobicContact CG1-CD1 4.37Å; T327-I330 PolarHBondContact O-N 3.02Å
331	L	97.1	Very high	96.4	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.8	-175.9	-55.4	179.3	0	0	0	110.9	H208 A209 V210 I211 Y334	H208-L331 HydrophobicContact CB-CD1 3.83Å; H208-L331 HydrophobicContact CB-CG 4.07Å; A209-L331 PolarHBondContact O-N 3Å; V210-L331 CarbonylContact C-O 3.54Å; V210-L331 VanDerWaalsContact CA-O 3.31Å; V210-L331 WeakPolarHBondContact CA-O 3.29Å; V210-L331 HydrophobicContact CG1-CB 4.35Å; I211-L331 PolarHBondContact N-O 2.89Å; L331-Y334 HydrophobicContact CB-CD2 3.58Å; L331-Y334 HydrophobicContact CB-CE2 4.17Å; L331-Y334 HydrophobicContact CB-CG 3.79Å; L331-Y334 HydrophobicContact CD1-CD1 4.2Å; L331-Y334 HydrophobicContact CD1-CG 4.24Å
332	W	97.5	Very high	96.3	Very high	16 Å²	16	43.2 Å²	43.2	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.4	178	-167.7	-67.6	0	0	0	111.9	I211 L218 I292 K294 L297 Y334 P363 L365	I211-W332 HydrophobicContact CB-CD2 4.39Å; I211-W332 HydrophobicContact CB-CE3 4.24Å; I211-W332 HydrophobicContact CD1-CE3 3.82Å; I211-W332 HydrophobicContact CD1-CZ3 3.97Å; I211-W332 HydrophobicContact CG2-CD2 4.11Å; I211-W332 HydrophobicContact CG2-CE3 4.01Å; I211-W332 HydrophobicContact CG2-CH2 4.34Å; I211-W332 HydrophobicContact CG2-CZ2 4.42Å; I211-W332 HydrophobicContact CG2-CZ3 4.13Å; L218-W332 HydrophobicContact CD1-CZ2 4.39Å; L218-W332 HydrophobicContact CD2-CH2 3.64Å; L218-W332 HydrophobicContact CD2-CZ2 3.81Å; I292-W332 VanDerWaalsContact O-CH2 3.3Å; I292-W332 WeakPolarHBondContact O-CH2 3.49Å; K294-W332 HydrophobicContact CB-CD2 3.77Å; K294-W332 HydrophobicContact CB-CE3 4.39Å; K294-W332 HydrophobicContact CB-CG 3.83Å; K294-W332 HydrophobicContact CB-CZ2 4.36Å; K294-W332 HydrophobicContact CD-CB 4.37Å; K294-W332 HydrophobicContact CD-CG 3.98Å; K294-W332 HydrophobicContact CG-CB 3.94Å; K294-W332 HydrophobicContact CG-CD2 4.1Å; K294-W332 HydrophobicContact CG-CG 3.62Å; L297-W332 HydrophobicContact CD2-CE3 4.08Å; W332-Y334 WeakPolarHBondContact O-CD2 3.38Å; W332-P363 PolarHBondContact NE1-O 2.97Å; W332-L365 WeakPolarHBondContact CZ2-O 3.09Å
333	G	96.5	Very high	96	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	20.5	-179.1	0	0	0	0	0	114.1	I211 E359 T360 T362	I211-G333 WeakPolarHBondContact O-CA 3.49Å; I211-G333 PolarHBondContact O-N 2.81Å; G333-E359 CarbonylContact O-C 3.58Å; G333-T360 PolarHBondContact O-N 2.78Å; G333-T360 VanDerWaalsContact O-O 3.12Å; G333-T360 PolarHBondContact O-OG1 3.07Å; G333-T362 WeakPolarHBondContact CA-OG1 3.15Å
334	Y	98	Very high	95.6	Very high	65 Å²	65	52.2 Å²	52.2	26%	0.255	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	156.2	-177.5	-75.4	-105.7	0	0	0	112.1	V210 I211 S212 L331 W332 Y358 E359	V210-Y334 WeakPolarHBondContact CB-O 3.36Å; V210-Y334 WeakPolarHBondContact CG2-O 3.44Å; I211-Y334 PolarHBondContact O-N 3.42Å; S212-Y334 VanDerWaalsContact CB-O 3.24Å; S212-Y334 WeakPolarHBondContact CB-O 3.14Å; S212-Y334 PolarHBondContact OG-O 3.27Å; L331-Y334 HydrophobicContact CB-CD2 3.58Å; L331-Y334 HydrophobicContact CB-CE2 4.17Å; L331-Y334 HydrophobicContact CB-CG 3.79Å; L331-Y334 HydrophobicContact CD1-CD1 4.2Å; L331-Y334 HydrophobicContact CD1-CG 4.24Å; W332-Y334 WeakPolarHBondContact O-CD2 3.38Å; Y334-Y358 CarbonylContact C-O 3.58Å; Y334-Y358 VanDerWaalsContact CA-O 3.3Å; Y334-Y358 WeakPolarHBondContact CA-O 3.35Å; Y334-E359 HydrophobicContact CD1-CB 4.39Å; Y334-E359 HydrophobicContact CE1-CB 4.06Å; Y334-E359 HydrophobicContact CE2-CG 4.3Å
335	R	97.9	Very high	95.3	Very high	104 Å²	104	55.6 Å²	55.6	39%	0.392	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.6	169.5	-73	-170.7	-175.9	162.2	-2.3	109.8	S212 M213 T357 Y358 T360	S212-R335 WeakPolarHBondContact OG-CG 2.91Å; M213-R335 PolarHBondContact O-NH2 3.41Å; R335-T357 CarbonylContact O-C 3.48Å; R335-T357 WeakPolarHBondContact O-CA 3.44Å; R335-T357 WeakPolarHBondContact O-CB 3.41Å; R335-Y358 HydrophobicContact CB-CD1 4.41Å; R335-Y358 HydrophobicContact CB-CE1 3.77Å; R335-Y358 HydrophobicContact CB-CE2 4.09Å; R335-Y358 PolarHBondContact N-O 2.93Å; R335-Y358 WeakPolarHBondContact O-CD1 3.48Å; R335-Y358 PolarHBondContact O-N 3.19Å; R335-T360 HydrophobicContact CB-CG2 4.17Å; R335-T360 HydrophobicContact CG-CG2 3.92Å
336	F	98	Very high	95	Very high	11 Å²	11	63.5 Å²	63.5	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.8	176.4	-72.1	-74.2	0	0	0	111.6	S206 H208 V210 M221 R223 I278 T357 Y358	S206-F336 WeakPolarHBondContact OG-CZ 3.48Å; H208-F336 WeakPolarHBondContact O-CZ 3.33Å; V210-F336 HydrophobicContact CG1-CE1 4.49Å; V210-F336 HydrophobicContact CG1-CE2 4.36Å; V210-F336 HydrophobicContact CG1-CZ 4.18Å; V210-F336 HydrophobicContact CG2-CD2 3.84Å; V210-F336 HydrophobicContact CG2-CE2 3.57Å; V210-F336 HydrophobicContact CG2-CZ 4.19Å; M221-F336 HydrophobicContact CB-CE2 4.1Å; R223-F336 HydrophobicContact CB-CD1 4.38Å; R223-F336 HydrophobicContact CB-CE1 4.25Å; R223-F336 HydrophobicContact CB-CE2 4.41Å; R223-F336 HydrophobicContact CB-CZ 4.28Å; I278-F336 HydrophobicContact CD1-CB 3.96Å; I278-F336 HydrophobicContact CD1-CD2 4.13Å; I278-F336 HydrophobicContact CD1-CG 4.42Å; I278-F336 HydrophobicContact CG1-CD2 4.17Å; I278-F336 HydrophobicContact CG2-CD2 4.07Å; I278-F336 HydrophobicContact CG2-CE2 4.35Å; F336-T357 HydrophobicContact CD1-CG2 3.63Å; F336-T357 HydrophobicContact CE1-CG2 3.73Å; F336-T357 HydrophobicContact CG-CG2 4.41Å; F336-Y358 WeakPolarHBondContact O-CE1 3.43Å
337	T	97.4	Very high	94.9	Very high	25 Å²	25	69.7 Å²	69.7	15%	0.153	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-62.4	132.9	174.3	-55.4	0	0	0	0	109.9	R223 E356	R223-T337 PolarHBondContact NH1-O 2.94Å; R223-T337 VanDerWaalsContact NH1-O 3.13Å; R223-T337 PolarHBondContact NH2-O 3.34Å; T337-E356 PolarHBondContact N-O 2.98Å; T337-E356 WeakPolarHBondContact OG1-CG 3.3Å; T337-E356 PolarHBondContact OG1-O 2.72Å
338	P	96.3	Very high	94.9	Very high	100 Å²	100	73.6 Å²	73.6	65%	0.649	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-55.2	140.5	174.8	-24.6	34.5	0	0	0	111.7
339	V	95.7	Very high	94.9	Very high	10 Å²	10	70.8 Å²	70.8	6%	0.061	36%	0.363	C	S	.	.			trans	-117.6	-8.4	-176.9	-64.7	0	0	0	0	113.6	R223 P276 V349 D350 S353	R223-V339 VanDerWaalsContact NH1-CG1 3.25Å; P276-V339 HydrophobicContact CB-CG2 4.15Å; P276-V339 HydrophobicContact CG-CG2 4.21Å; V339-V349 HydrophobicContact CB-CG1 4.45Å; V339-V349 HydrophobicContact CG2-CG1 4.37Å; V339-V349 WeakPolarHBondContact O-CA 3.4Å; V339-D350 PolarHBondContact O-N 3.1Å; V339-S353 WeakPolarHBondContact CG1-O 3.47Å
340	L	94.7	Very high	94.9	Very high	77 Å²	77	72.3 Å²	72.3	40%	0.403	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.8	-176	-79.2	166.9	0	0	0	109.8	E348 V349	L340-E348 WeakPolarHBondContact CA-O 3.41Å; L340-V349 HydrophobicContact CD2-CG2 3.71Å
341	T	94.6	Very high	94.7	Very high	63 Å²	63	75.7 Å²	75.7	39%	0.387	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	156.2	168.3	55.4	0	0	0	0	109.4	Y347 E348	T341-Y347 WeakPolarHBondContact O-CA 3.38Å; T341-E348 PolarHBondContact N-O 2.72Å; T341-E348 PolarHBondContact O-N 3.45Å
342	L	94.2	Very high	94.6	Very high	121 Å²	121	80.7 Å²	80.7	63%	0.634	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.2	176.4	178.9	67.6	0	0	0	107.9	Y347	L342-Y347 HydrophobicContact CD1-CD1 4.3Å; L342-Y347 HydrophobicContact CD1-CE1 4.16Å
343	E	90.2	Very high	94.5	Very high	103 Å²	103	80.9 Å²	80.9	48%	0.481	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.9	-177.5	-63.3	-164.4	-166.6	0	0	110	G345 F346	E343-G345 PolarHBondContact O-N 3.01Å; E343-F346 PolarHBondContact N-O 3.22Å; E343-F346 PolarHBondContact O-N 2.95Å
344	D	88.4	Confident	94.6	Very high	168 Å²	168	80.9 Å²	80.9	90%	0.898	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	36.7	175.1	-67.3	-30.7	0	0	0	116.3
345	G	91.5	Very high	94.5	Very high	70 Å²	70	81.6 Å²	81.6	72%	0.722	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	1.9	178	0	0	0	0	0	115.4	E343	E343-G345 PolarHBondContact O-N 3.01Å
346	F	91.2	Very high	94.5	Very high	167 Å²	167	81.4 Å²	81.4	73%	0.732	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.3	172.4	-69.5	-88.6	0	0	0	111.1	E343	E343-F346 PolarHBondContact N-O 3.22Å; E343-F346 PolarHBondContact O-N 2.95Å
347	Y	93.9	Very high	94.5	Very high	174 Å²	174	82.3 Å²	82.3	68%	0.682	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.7	168.8	-74.3	-78.6	0	0	0	108.9	T341 L342	T341-Y347 WeakPolarHBondContact O-CA 3.38Å; L342-Y347 HydrophobicContact CD1-CD1 4.3Å; L342-Y347 HydrophobicContact CD1-CE1 4.16Å
348	E	93.4	Very high	94.5	Very high	100 Å²	100	86 Å²	86	47%	0.467	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.7	173.8	-174.3	167.7	178.3	0	0	110	L340 T341	L340-E348 WeakPolarHBondContact CA-O 3.41Å; T341-E348 PolarHBondContact N-O 2.72Å; T341-E348 PolarHBondContact O-N 3.45Å
349	V	94.7	Very high	94.5	Very high	34 Å²	34	87.2 Å²	87.2	21%	0.206	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111	178.5	-177.5	0	0	0	0	108.5	P276 V339 L340 Y351	P276-V349 HydrophobicContact CG-CG1 3.66Å; V339-V349 HydrophobicContact CB-CG1 4.45Å; V339-V349 HydrophobicContact CG2-CG1 4.37Å; V339-V349 WeakPolarHBondContact O-CA 3.4Å; L340-V349 HydrophobicContact CD2-CG2 3.71Å; V349-Y351 HydrophobicContact CB-CD2 4.37Å; V349-Y351 HydrophobicContact CB-CE2 3.94Å; V349-Y351 HydrophobicContact CG1-CD2 3.95Å; V349-Y351 HydrophobicContact CG1-CE1 4.38Å; V349-Y351 HydrophobicContact CG1-CE2 3.65Å; V349-Y351 HydrophobicContact CG1-CG 4.44Å; V349-Y351 PolarHBondContact O-N 3.48Å
350	D	94.7	Very high	94.6	Very high	60 Å²	60	88 Å²	88	32%	0.321	45%	0.445	S	S	.	.			trans	-81.4	101.9	171.3	-177.1	14.4	0	0	0	110.6	V339 N352 S353	V339-D350 PolarHBondContact O-N 3.1Å; D350-N352 PolarHBondContact O-N 3.1Å; D350-N352 WeakPolarHBondContact OD1-CB 3.48Å; D350-N352 PolarHBondContact OD1-N 3.5Å; D350-N352 PolarHBondContact OD1-ND2 3.38Å; D350-S353 PolarHBondContact O-N 2.94Å
351	Y	94	Very high	94.6	Very high	81 Å²	81	90.6 Å²	90.6	32%	0.318	47%	0.469	S	S	.	.	S	Bend	trans	-72	-11.6	176.9	-75.7	-87.7	0	0	0	113.5	D226 L227 P276 V349 S353 F354	D226-Y351 PolarHBondContact O-OH 3.49Å; L227-Y351 HydrophobicContact CD2-CD1 3.64Å; L227-Y351 HydrophobicContact CD2-CE1 3.39Å; L227-Y351 HydrophobicContact CD2-CG 4.31Å; P276-Y351 HydrophobicContact CG-CE1 4.15Å; V349-Y351 HydrophobicContact CB-CD2 4.37Å; V349-Y351 HydrophobicContact CB-CE2 3.94Å; V349-Y351 HydrophobicContact CG1-CD2 3.95Å; V349-Y351 HydrophobicContact CG1-CE1 4.38Å; V349-Y351 HydrophobicContact CG1-CE2 3.65Å; V349-Y351 HydrophobicContact CG1-CG 4.44Å; V349-Y351 PolarHBondContact O-N 3.48Å; Y351-S353 VanDerWaalsContact C-N 3.34Å; Y351-F354 HydrophobicContact CD1-CB 4.3Å; Y351-F354 AromaticContact CD1-CD2 3.98Å; Y351-F354 HydrophobicContact CD1-CD2 3.98Å; Y351-F354 HydrophobicContact CD1-CG 4.32Å; Y351-F354 HydrophobicContact CE1-CD2 4.2Å; Y351-F354 WeakPolarHBondContact O-CB 3.31Å; Y351-F354 PolarHBondContact O-N 2.92Å; Y351-F354 VanDerWaalsContact O-N 3.16Å
352	N	95.2	Very high	94.6	Very high	144 Å²	144	88.4 Å²	88.4	77%	0.77	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-41	174.3	-61.2	-58.6	0	0	0	111	D350 F354	D350-N352 PolarHBondContact O-N 3.1Å; D350-N352 WeakPolarHBondContact OD1-CB 3.48Å; D350-N352 PolarHBondContact OD1-N 3.5Å; D350-N352 PolarHBondContact OD1-ND2 3.38Å; N352-F354 VanDerWaalsContact C-N 3.27Å; N352-F354 PolarHBondContact O-N 3.04Å
353	S	95.2	Very high	94.6	Very high	21 Å²	21	84.7 Å²	84.7	15%	0.147	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.6	174.5	-69.5	0	0	0	0	113.9	R223 V339 D350 Y351 H355 E356	R223-S353 PolarHBondContact NH1-O 3.17Å; R223-S353 VanDerWaalsContact NH1-O 3.14Å; V339-S353 WeakPolarHBondContact CG1-O 3.47Å; D350-S353 PolarHBondContact O-N 2.94Å; Y351-S353 VanDerWaalsContact C-N 3.34Å; S353-H355 PolarHBondContact O-N 3.35Å; S353-E356 PolarHBondContact O-N 2.88Å; S353-E356 PolarHBondContact OG-OE2 3.22Å
354	F	96.6	Very high	94.8	Very high	1 Å²	1	83.1 Å²	83.1	0%	0.004	44%	0.44	C	S	.	.	S	Bend	trans	-60.5	-45.1	-179.3	-179.4	-88.7	0	0	0	112.4	V204 R223 P276 Y351 N352	V204-F354 HydrophobicContact CB-CE1 4.26Å; V204-F354 HydrophobicContact CB-CZ 4.26Å; V204-F354 HydrophobicContact CG2-CE1 3.95Å; V204-F354 HydrophobicContact CG2-CE2 3.98Å; V204-F354 HydrophobicContact CG2-CZ 3.59Å; R223-F354 WeakPolarHBondContact CD-O 3.36Å; R223-F354 HydrophobicContact CG-CD2 4.27Å; R223-F354 HydrophobicContact CG-CE2 3.73Å; R223-F354 HydrophobicContact CG-CZ 3.91Å; R223-F354 PolarHBondContact NH1-O 3.41Å; P276-F354 HydrophobicContact CB-CD2 4.02Å; P276-F354 HydrophobicContact CB-CE2 3.79Å; P276-F354 HydrophobicContact CG-CD2 3.88Å; P276-F354 HydrophobicContact CG-CE2 3.92Å; Y351-F354 HydrophobicContact CD1-CB 4.3Å; Y351-F354 AromaticContact CD1-CD2 3.98Å; Y351-F354 HydrophobicContact CD1-CD2 3.98Å; Y351-F354 HydrophobicContact CD1-CG 4.32Å; Y351-F354 HydrophobicContact CE1-CD2 4.2Å; Y351-F354 WeakPolarHBondContact O-CB 3.31Å; Y351-F354 PolarHBondContact O-N 2.92Å; Y351-F354 VanDerWaalsContact O-N 3.16Å; N352-F354 VanDerWaalsContact C-N 3.27Å; N352-F354 PolarHBondContact O-N 3.04Å
355	H	97	Very high	95.1	Very high	80 Å²	80	78.1 Å²	78.1	37%	0.37	41%	0.412	S	S	.	.	S	Bend	trans	-90.5	-7.3	-177.8	-61.1	-83	0	0	0	113.4	F205 T207 S353	F205-H355 PolarHBondContact O-CE1 3.4Å; T207-H355 PolarHBondContact N-ND1 2.76Å; T207-H355 PolarHBondContact OG1-ND1 2.97Å; S353-H355 PolarHBondContact O-N 3.35Å
356	E	97.4	Very high	95.2	Very high	99 Å²	99	74.9 Å²	74.9	46%	0.463	38%	0.379	S	S	.	.			trans	-76.5	139.7	-171.8	-164.4	-175.4	176.9	0	0	112.1	T337 S353	T337-E356 PolarHBondContact N-O 2.98Å; T337-E356 WeakPolarHBondContact OG1-CG 3.3Å; T337-E356 PolarHBondContact OG1-O 2.72Å; S353-E356 PolarHBondContact O-N 2.88Å; S353-E356 PolarHBondContact OG-OE2 3.22Å
357	T	97.7	Very high	95.4	Very high	30 Å²	30	67.2 Å²	67.2	18%	0.184	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.9	-179.7	58.1	0	0	0	0	110.4	V210 R335 F336	V210-T357 HydrophobicContact CG1-CG2 3.6Å; R335-T357 CarbonylContact O-C 3.48Å; R335-T357 WeakPolarHBondContact O-CA 3.44Å; R335-T357 WeakPolarHBondContact O-CB 3.41Å; F336-T357 HydrophobicContact CD1-CG2 3.63Å; F336-T357 HydrophobicContact CE1-CG2 3.73Å; F336-T357 HydrophobicContact CG-CG2 4.41Å
358	Y	97.7	Very high	95.5	Very high	102 Å²	102	62.3 Å²	62.3	40%	0.4	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.9	177.5	66.2	-85	0	0	0	111.2	Y334 R335 F336 T360	Y334-Y358 CarbonylContact C-O 3.58Å; Y334-Y358 VanDerWaalsContact CA-O 3.3Å; Y334-Y358 WeakPolarHBondContact CA-O 3.35Å; R335-Y358 HydrophobicContact CB-CD1 4.41Å; R335-Y358 HydrophobicContact CB-CE1 3.77Å; R335-Y358 HydrophobicContact CB-CE2 4.09Å; R335-Y358 PolarHBondContact N-O 2.93Å; R335-Y358 WeakPolarHBondContact O-CD1 3.48Å; R335-Y358 PolarHBondContact O-N 3.19Å; F336-Y358 WeakPolarHBondContact O-CE1 3.43Å; Y358-T360 HydrophobicContact CD2-CG2 3.75Å; Y358-T360 HydrophobicContact CE2-CG2 3.38Å
359	E	97.6	Very high	95.5	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	146.3	-178.6	-167	171.7	-165.2	0	0	111.4	G333 Y334	G333-E359 CarbonylContact O-C 3.58Å; Y334-E359 HydrophobicContact CD1-CB 4.39Å; Y334-E359 HydrophobicContact CE1-CB 4.06Å; Y334-E359 HydrophobicContact CE2-CG 4.3Å
360	T	96.2	Very high	95.4	Very high	28 Å²	28	61.2 Å²	61.2	17%	0.172	32%	0.322	C	S	.	.			trans	-140.9	150.5	-177.2	55.4	0	0	0	0	111.2	G333 R335 Y358 T362	G333-T360 PolarHBondContact O-N 2.78Å; G333-T360 VanDerWaalsContact O-O 3.12Å; G333-T360 PolarHBondContact O-OG1 3.07Å; R335-T360 HydrophobicContact CB-CG2 4.17Å; R335-T360 HydrophobicContact CG-CG2 3.92Å; Y358-T360 HydrophobicContact CD2-CG2 3.75Å; Y358-T360 HydrophobicContact CE2-CG2 3.38Å; T360-T362 PolarHBondContact O-N 3.48Å; T360-T362 PolarHBondContact O-OG1 3.25Å; T360-T362 PolarHBondContact OG1-OG1 3.43Å
361	S	95.1	Very high	95.3	Very high	130 Å²	130	60.3 Å²	60.3	91%	0.909	32%	0.323	S	S	*	.			trans	-61.7	105.7	174.1	-172	0	0	0	0	110.2
362	T	94.1	Very high	95.2	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.11	33%	0.327	C	S	.	.			trans	-133.5	135.6	-177.4	-61.2	0	0	0	0	108.5	M213 L218 G333 T360	M213-T362 HydrophobicContact CG-CG2 4.23Å; L218-T362 HydrophobicContact CD1-CG2 4.16Å; G333-T362 WeakPolarHBondContact CA-OG1 3.15Å; T360-T362 PolarHBondContact O-N 3.48Å; T360-T362 PolarHBondContact O-OG1 3.25Å; T360-T362 PolarHBondContact OG1-OG1 3.43Å
363	P	94.6	Very high	95.1	Very high	42 Å²	42	57.9 Å²	57.9	27%	0.273	31%	0.312	S	S	.	.			trans	-56.2	144.2	176.1	-23.5	33.5	0	0	0	112.5	M213 W332 L365 L370	M213-P363 VanDerWaalsContact CG-CD 3.45Å; M213-P363 HydrophobicContact CG-CG 4.16Å; M213-P363 HydrophobicContact SD-CG 4.4Å; W332-P363 PolarHBondContact NE1-O 2.97Å; P363-L365 VanDerWaalsContact C-N 3.32Å; P363-L365 HydrophobicContact CB-CD1 4Å; P363-L370 HydrophobicContact CB-CD1 4.2Å; P363-L370 HydrophobicContact CB-CD2 3.75Å; P363-L370 HydrophobicContact CB-CG 4.47Å; P363-L370 HydrophobicContact CG-CD1 4.38Å; P363-L370 HydrophobicContact CG-CD2 3.93Å
364	S	94.5	Very high	94.8	Very high	71 Å²	71	59.3 Å²	59.3	50%	0.497	33%	0.325	S	S	.	.			trans	-84.7	-8.7	176.4	-61.9	0	0	0	0	113.6	K294	K294-S364 WeakPolarHBondContact CB-O 3.27Å; K294-S364 PolarHBondContact N-O 3.32Å
365	L	94.2	Very high	94.4	Very high	62 Å²	62	62.2 Å²	62.2	33%	0.325	35%	0.346	S	S	.	.	S	Bend	trans	-74	159.2	-175.8	-62.1	101.6	0	0	0	111.8	W332 P363 E369 L370 L373	W332-L365 WeakPolarHBondContact CZ2-O 3.09Å; P363-L365 VanDerWaalsContact C-N 3.32Å; P363-L365 HydrophobicContact CB-CD1 4Å; L365-E369 WeakPolarHBondContact CA-OE2 3.35Å; L365-E369 HydrophobicContact CB-CB 4.01Å; L365-E369 WeakPolarHBondContact CB-OE2 3.42Å; L365-E369 HydrophobicContact CD2-CB 3.95Å; L365-L370 HydrophobicContact CB-CD2 4.31Å; L365-L370 HydrophobicContact CB-CG 4.15Å; L365-L370 HydrophobicContact CD1-CD2 4.37Å; L365-L373 HydrophobicContact CD2-CD1 3.76Å
366	S	95.1	Very high	94	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.021	36%	0.359	C	S	.	.			trans	-68.4	159.5	170	65.9	0	0	0	0	111.2	K368 E369 L370	S366-K368 PolarHBondContact O-N 3.15Å; S366-E369 PolarHBondContact N-OE2 2.88Å; S366-E369 PolarHBondContact O-N 3.29Å; S366-E369 VanDerWaalsContact OG-CD 3.28Å; S366-E369 VanDerWaalsContact OG-CG 3.27Å; S366-E369 WeakPolarHBondContact OG-CG 3.37Å; S366-E369 PolarHBondContact OG-N 3.35Å; S366-E369 PolarHBondContact OG-OE1 3.2Å; S366-L370 WeakPolarHBondContact O-CG 3.5Å; S366-L370 PolarHBondContact O-N 2.85Å
367	A	94.6	Very high	93.5	Very high	5 Å²	5	66 Å²	66	4%	0.041	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-34.4	177.1	0	0	0	0	0	112	L218 I283 W290 L370 A371	L218-A367 HydrophobicContact CB-CB 4.35Å; L218-A367 HydrophobicContact CD2-CB 4.14Å; I283-A367 HydrophobicContact CB-CB 4.18Å; I283-A367 HydrophobicContact CG2-CB 3.53Å; W290-A367 HydrophobicContact CD2-CB 4.4Å; W290-A367 HydrophobicContact CE3-CB 3.47Å; W290-A367 VanDerWaalsContact CE3-CB 3.47Å; W290-A367 HydrophobicContact CZ3-CB 3.64Å; W290-A367 PolarHBondContact O-N 3.16Å; A367-L370 PolarHBondContact O-N 3.47Å; A367-A371 PolarHBondContact O-N 3.46Å
368	K	95	Very high	92.7	Very high	71 Å²	71	72.4 Å²	72.4	31%	0.309	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-52.8	171.2	-176.8	178.1	179.2	179.6	0	112.7	W290 E291 S366 L370 A371 E372	W290-K368 HydrophobicContact CD2-CB 4.1Å; W290-K368 HydrophobicContact CG-CB 4.26Å; W290-K368 HydrophobicContact CZ2-CB 4.13Å; W290-K368 HydrophobicContact CZ2-CG 4.44Å; W290-K368 WeakPolarHBondContact O-CB 3.27Å; W290-K368 PolarHBondContact O-N 3.11Å; E291-K368 HydrophobicContact CG-CD 4.02Å; E291-K368 IonicContact OE1-NZ 2.73Å; E291-K368 PolarHBondContact OE1-NZ 3.28Å; S366-K368 PolarHBondContact O-N 3.15Å; K368-L370 VanDerWaalsContact C-N 3.27Å; K368-L370 PolarHBondContact O-N 3.25Å; K368-A371 PolarHBondContact O-N 2.91Å; K368-A371 VanDerWaalsContact O-N 3.17Å; K368-E372 WeakPolarHBondContact CE-OE1 3.23Å; K368-E372 WeakPolarHBondContact O-CG 3.46Å; K368-E372 PolarHBondContact O-N 3.23Å
369	E	94.3	Very high	91.4	Very high	76 Å²	76	71.6 Å²	71.6	36%	0.355	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-37	178.2	-74	162.3	-161	0	0	111.6	L365 S366 E372 L373	L365-E369 WeakPolarHBondContact CA-OE2 3.35Å; L365-E369 HydrophobicContact CB-CB 4.01Å; L365-E369 WeakPolarHBondContact CB-OE2 3.42Å; L365-E369 HydrophobicContact CD2-CB 3.95Å; S366-E369 PolarHBondContact N-OE2 2.88Å; S366-E369 PolarHBondContact O-N 3.29Å; S366-E369 VanDerWaalsContact OG-CD 3.28Å; S366-E369 VanDerWaalsContact OG-CG 3.27Å; S366-E369 WeakPolarHBondContact OG-CG 3.37Å; S366-E369 PolarHBondContact OG-N 3.35Å; S366-E369 PolarHBondContact OG-OE1 3.2Å; E369-E372 PolarHBondContact O-N 2.86Å; E369-L373 WeakPolarHBondContact O-CB 3.25Å; E369-L373 WeakPolarHBondContact O-CG 3.29Å; E369-L373 PolarHBondContact O-N 3.48Å
370	L	93.2	Very high	89.3	Confident	35 Å²	35	69 Å²	69	18%	0.183	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-41.9	174.6	-74	172.2	0	0	0	112.2	M213 P363 L365 S366 A367 K368 L373 A374	M213-L370 HydrophobicContact SD-CD1 4.03Å; P363-L370 HydrophobicContact CB-CD1 4.2Å; P363-L370 HydrophobicContact CB-CD2 3.75Å; P363-L370 HydrophobicContact CB-CG 4.47Å; P363-L370 HydrophobicContact CG-CD1 4.38Å; P363-L370 HydrophobicContact CG-CD2 3.93Å; L365-L370 HydrophobicContact CB-CD2 4.31Å; L365-L370 HydrophobicContact CB-CG 4.15Å; L365-L370 HydrophobicContact CD1-CD2 4.37Å; S366-L370 WeakPolarHBondContact O-CG 3.5Å; S366-L370 PolarHBondContact O-N 2.85Å; A367-L370 PolarHBondContact O-N 3.47Å; K368-L370 VanDerWaalsContact C-N 3.27Å; K368-L370 PolarHBondContact O-N 3.25Å; L370-L373 PolarHBondContact O-N 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.38Å; L370-A374 PolarHBondContact O-N 2.85Å
371	A	92.4	Very high	87.4	Confident	42 Å²	42	74.4 Å²	74.4	35%	0.347	42%	0.421	S	S	.	.	H	α-helix	trans	-68.6	-36.9	175.7	0	0	0	0	0	112.4	W290 A367 K368 A374 S375	W290-A371 HydrophobicContact CH2-CB 3.54Å; W290-A371 HydrophobicContact CZ2-CB 3.97Å; A367-A371 PolarHBondContact O-N 3.46Å; K368-A371 PolarHBondContact O-N 2.91Å; K368-A371 VanDerWaalsContact O-N 3.17Å; A371-A374 PolarHBondContact O-N 3.46Å; A371-S375 WeakPolarHBondContact O-CB 3.48Å; A371-S375 PolarHBondContact O-N 3.16Å; A371-S375 PolarHBondContact O-OG 3.42Å
372	E	92.4	Very high	85.4	Confident	87 Å²	87	71 Å²	71	41%	0.407	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-38.6	173.1	-72.7	176.4	-169	0	0	111.9	K368 E369 S375 R376	K368-E372 WeakPolarHBondContact CE-OE1 3.23Å; K368-E372 WeakPolarHBondContact O-CG 3.46Å; K368-E372 PolarHBondContact O-N 3.23Å; E369-E372 PolarHBondContact O-N 2.86Å; E372-S375 WeakPolarHBondContact CA-OG 3.24Å; E372-S375 PolarHBondContact O-OG 2.93Å; E372-R376 WeakPolarHBondContact O-CG 3.15Å; E372-R376 PolarHBondContact O-N 3.14Å; E372-R376 VanDerWaalsContact O-N 3.14Å
373	L	91.8	Very high	83.4	Confident	87 Å²	87	78.1 Å²	78.1	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-69.7	-41	174	-72.4	176.7	0	0	0	112.4	L365 E369 L370 R376 A377	L365-L373 HydrophobicContact CD2-CD1 3.76Å; E369-L373 WeakPolarHBondContact O-CB 3.25Å; E369-L373 WeakPolarHBondContact O-CG 3.29Å; E369-L373 PolarHBondContact O-N 3.48Å; L370-L373 PolarHBondContact O-N 3.3Å; L373-R376 PolarHBondContact O-N 3.31Å; L373-A377 PolarHBondContact O-N 3.23Å
374	A	90	Very high	81.6	Confident	50 Å²	50	78.7 Å²	78.7	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-63.3	-46.2	176.4	0	0	0	0	0	111.5	L370 A371 R376 A377 E378	L370-A374 WeakPolarHBondContact O-CB 3.38Å; L370-A374 PolarHBondContact O-N 2.85Å; A371-A374 PolarHBondContact O-N 3.46Å; A374-R376 VanDerWaalsContact C-N 3.31Å; A374-R376 PolarHBondContact O-N 2.87Å; A374-A377 WeakPolarHBondContact O-CA 3.35Å; A374-A377 WeakPolarHBondContact O-CB 3.42Å; A374-A377 PolarHBondContact O-N 2.84Å; A374-E378 PolarHBondContact O-N 3.41Å
375	S	88	Confident	79.7	Confident	62 Å²	62	79.1 Å²	79.1	43%	0.434	43%	0.427	S	S	.	.	H	α-helix	trans	-61.3	-37.6	176.8	59.1	0	0	0	0	112.5	A371 E372 A377 E378 L379	A371-S375 WeakPolarHBondContact O-CB 3.48Å; A371-S375 PolarHBondContact O-N 3.16Å; A371-S375 PolarHBondContact O-OG 3.42Å; E372-S375 WeakPolarHBondContact CA-OG 3.24Å; E372-S375 PolarHBondContact O-OG 2.93Å; S375-A377 VanDerWaalsContact C-N 3.32Å; S375-A377 PolarHBondContact O-N 2.83Å; S375-E378 PolarHBondContact O-N 3.5Å; S375-L379 WeakPolarHBondContact O-CG 3.32Å; S375-L379 PolarHBondContact O-N 2.95Å
376	R	89	Confident	78	Confident	175 Å²	175	79.8 Å²	79.8	66%	0.66	44%	0.437	S	S	*	.	H	α-helix	trans	-66.1	-32.4	172.3	-75.3	177	179.6	171.9	3.7	113.3	E372 L373 A374	E372-R376 WeakPolarHBondContact O-CG 3.15Å; E372-R376 PolarHBondContact O-N 3.14Å; E372-R376 VanDerWaalsContact O-N 3.14Å; L373-R376 PolarHBondContact O-N 3.31Å; A374-R376 VanDerWaalsContact C-N 3.31Å; A374-R376 PolarHBondContact O-N 2.87Å
377	A	86.7	Confident	76.3	Confident	84 Å²	84	82.8 Å²	82.8	69%	0.694	46%	0.458	S	S	*	.	H	α-helix	trans	-76.7	-29.2	178.1	0	0	0	0	0	112.8	L373 A374 S375 L379	L373-A377 PolarHBondContact O-N 3.23Å; A374-A377 WeakPolarHBondContact O-CA 3.35Å; A374-A377 WeakPolarHBondContact O-CB 3.42Å; A374-A377 PolarHBondContact O-N 2.84Å; S375-A377 VanDerWaalsContact C-N 3.32Å; S375-A377 PolarHBondContact O-N 2.83Å; A377-L379 VanDerWaalsContact C-N 3.33Å
378	E	80.8	Confident	74.6	Confident	164 Å²	164	89.1 Å²	89.1	77%	0.766	49%	0.485	S	S	*	.	H	α-helix	trans	-77.5	-16.5	175.5	-73.6	-179.6	-179.2	0	0	113.5	A374 S375 P380	A374-E378 PolarHBondContact O-N 3.41Å; S375-E378 PolarHBondContact O-N 3.5Å; E378-P380 WeakPolarHBondContact O-CD 3.39Å
379	L	68.9	Low	73.1	Confident	86 Å²	86	91.4 Å²	91.4	45%	0.45	50%	0.5	S	S	.	.	S	Bend	trans	-61.7	123.4	173.6	-69.6	179	0	0	0	109.4	S375 A377 L381 W383	S375-L379 WeakPolarHBondContact O-CG 3.32Å; S375-L379 PolarHBondContact O-N 2.95Å; A377-L379 VanDerWaalsContact C-N 3.33Å; L379-L381 PolarHBondContact O-N 3.48Å; L379-W383 HydrophobicContact CD1-CE3 4.47Å; L379-W383 HydrophobicContact CD1-CZ3 4.38Å; L379-W383 HydrophobicContact CD2-CE3 4.08Å; L379-W383 HydrophobicContact CD2-CH2 4.16Å; L379-W383 HydrophobicContact CD2-CZ3 3.4Å; L379-W383 HydrophobicContact CG-CZ3 4.31Å
380	P	55	Low	71.7	Confident	72 Å²	72	92.5 Å²	92.5	47%	0.468	51%	0.508	S	S	.	.			trans	-58.9	127.8	-179.1	22.1	-30.5	0	0	0	109.1	E378 S382 W383	E378-P380 WeakPolarHBondContact O-CD 3.39Å; P380-S382 PolarHBondContact O-N 3.45Å; P380-S382 PolarHBondContact O-OG 2.95Å; P380-W383 PolarHBondContact O-N 2.93Å; P380-W383 VanDerWaalsContact O-N 3.14Å
381	L	55	Low	70.3	Confident	140 Å²	140	96.8 Å²	96.8	73%	0.733	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-14.5	176.6	-81.2	161.4	0	0	0	113.5	L379 W383 S384 V385	L379-L381 PolarHBondContact O-N 3.48Å; L381-W383 PolarHBondContact O-N 3.38Å; L381-S384 PolarHBondContact O-N 3.28Å; L381-S384 VanDerWaalsContact O-N 3.13Å; L381-S384 PolarHBondContact O-OG 2.86Å; L381-V385 PolarHBondContact O-N 3Å; L381-V385 VanDerWaalsContact O-N 3.08Å
382	S	53.5	Low	69.1	Low	60 Å²	60	100.4 Å²	100.4	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-51.8	-36	172.6	58.1	0	0	0	0	113.5	P380 S386	P380-S382 PolarHBondContact O-N 3.45Å; P380-S382 PolarHBondContact O-OG 2.95Å; S382-S386 WeakPolarHBondContact O-CB 3.37Å; S382-S386 PolarHBondContact O-N 3.4Å; S382-S386 PolarHBondContact O-OG 3.26Å
383	W	51.7	Low	68.1	Low	167 Å²	167	98.5 Å²	98.5	63%	0.633	54%	0.536	S	S	*	.	H	α-helix	trans	-74.4	-32.3	179.4	-63.3	-23.7	0	0	0	113.1	L379 P380 L381 S387	L379-W383 HydrophobicContact CD1-CE3 4.47Å; L379-W383 HydrophobicContact CD1-CZ3 4.38Å; L379-W383 HydrophobicContact CD2-CE3 4.08Å; L379-W383 HydrophobicContact CD2-CH2 4.16Å; L379-W383 HydrophobicContact CD2-CZ3 3.4Å; L379-W383 HydrophobicContact CG-CZ3 4.31Å; P380-W383 PolarHBondContact O-N 2.93Å; P380-W383 VanDerWaalsContact O-N 3.14Å; L381-W383 PolarHBondContact O-N 3.38Å; W383-S387 VanDerWaalsContact O-CB 3.28Å; W383-S387 WeakPolarHBondContact O-CB 3.32Å; W383-S387 PolarHBondContact O-N 3.46Å
384	S	56.9	Low	67.2	Low	54 Å²	54	99.4 Å²	99.4	38%	0.378	54%	0.538	S	S	.	.	H	α-helix	trans	-75.9	-28.8	176.1	74.5	0	0	0	0	113.2	L381 K388	L381-S384 PolarHBondContact O-N 3.28Å; L381-S384 VanDerWaalsContact O-N 3.13Å; L381-S384 PolarHBondContact O-OG 2.86Å; S384-K388 VanDerWaalsContact O-CB 3.29Å; S384-K388 WeakPolarHBondContact O-CB 3.37Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact O-N 3.49Å
385	V	56	Low	66.4	Low	80 Å²	80	101.8 Å²	101.8	49%	0.485	54%	0.543	S	S	.	.	H	α-helix	trans	-83.7	-44.2	177.2	178.9	0	0	0	0	110.3	L381 K388 L389	L381-V385 PolarHBondContact O-N 3Å; L381-V385 VanDerWaalsContact O-N 3.08Å; V385-K388 PolarHBondContact O-N 2.94Å; V385-L389 HydrophobicContact CG1-CD1 3.85Å; V385-L389 WeakPolarHBondContact O-CB 3.44Å; V385-L389 PolarHBondContact O-N 2.88Å
386	S	57.7	Low	65.6	Low	76 Å²	76	104.5 Å²	104.5	53%	0.531	55%	0.548	S	S	.	.	H	α-helix	trans	-66	-36.7	176.1	-68.1	0	0	0	0	112.4	S382 L389 N390	S382-S386 WeakPolarHBondContact O-CB 3.37Å; S382-S386 PolarHBondContact O-N 3.4Å; S382-S386 PolarHBondContact O-OG 3.26Å; S386-L389 PolarHBondContact O-N 3.36Å; S386-N390 WeakPolarHBondContact O-CB 3.23Å; S386-N390 PolarHBondContact O-N 2.83Å
387	S	59.1	Low	65	Low	65 Å²	65	99.7 Å²	99.7	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-70.8	-34.5	174.8	94.8	0	0	0	0	112.3	W383 Q391	W383-S387 VanDerWaalsContact O-CB 3.28Å; W383-S387 WeakPolarHBondContact O-CB 3.32Å; W383-S387 PolarHBondContact O-N 3.46Å; S387-Q391 WeakPolarHBondContact O-CB 3.37Å; S387-Q391 PolarHBondContact O-N 3.44Å
388	K	59.3	Low	64.3	Low	139 Å²	139	100.8 Å²	100.8	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-71.2	-36.6	173.8	-79.8	-177.3	178.6	-174.7	0	112.4	S384 V385 H392	S384-K388 VanDerWaalsContact O-CB 3.29Å; S384-K388 WeakPolarHBondContact O-CB 3.37Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact O-N 3.49Å; V385-K388 PolarHBondContact O-N 2.94Å; K388-H392 WeakPolarHBondContact O-CB 3.43Å; K388-H392 PolarHBondContact O-N 2.88Å
389	L	62.3	Low	63.9	Low	119 Å²	119	99.2 Å²	99.2	62%	0.623	52%	0.522	S	S	*	.	H	α-helix	trans	-68.6	-39.2	173.7	-113	91.7	0	0	0	111.2	V385 S386 H392 A393	V385-L389 HydrophobicContact CG1-CD1 3.85Å; V385-L389 WeakPolarHBondContact O-CB 3.44Å; V385-L389 PolarHBondContact O-N 2.88Å; S386-L389 PolarHBondContact O-N 3.36Å; L389-H392 PolarHBondContact O-N 3.06Å; L389-A393 VanDerWaalsContact O-CB 3.25Å; L389-A393 WeakPolarHBondContact O-CB 3.39Å; L389-A393 PolarHBondContact O-N 3.2Å
390	N	66.5	Low	64	Low	99 Å²	99	101.3 Å²	101.3	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-66.6	-41.8	176.1	-123.9	60.8	0	0	0	111.4	S386 A393 E394	S386-N390 WeakPolarHBondContact O-CB 3.23Å; S386-N390 PolarHBondContact O-N 2.83Å; N390-A393 PolarHBondContact O-N 2.02Å; N390-E394 PolarHBondContact ND2-OE1 3.44Å; N390-E394 WeakPolarHBondContact O-CB 3.29Å; N390-E394 VanDerWaalsContact O-CG 3.3Å; N390-E394 WeakPolarHBondContact O-CG 3.21Å; N390-E394 PolarHBondContact O-N 3.17Å
391	Q	63.7	Low	64.8	Low	124 Å²	124	104.2 Å²	104.2	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-63.9	-39.4	173.4	-88	-178.9	-11.9	0	0	112.5	S387 L395	S387-Q391 WeakPolarHBondContact O-CB 3.37Å; S387-Q391 PolarHBondContact O-N 3.44Å; Q391-L395 WeakPolarHBondContact O-CB 2.98Å; Q391-L395 WeakPolarHBondContact O-CD1 3.42Å; Q391-L395 VanDerWaalsContact O-CG 3.24Å; Q391-L395 WeakPolarHBondContact O-CG 3.04Å; Q391-L395 PolarHBondContact O-N 3.05Å
392	H	67.7	Low	65.6	Low	119 Å²	119	103.6 Å²	103.6	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-67.3	-41.9	174.8	-101.2	-73.7	0	0	0	112.3	K388 L389 L395 E396	K388-H392 WeakPolarHBondContact O-CB 3.43Å; K388-H392 PolarHBondContact O-N 2.88Å; L389-H392 PolarHBondContact O-N 3.06Å; H392-L395 PolarHBondContact O-N 2.69Å; H392-E396 WeakPolarHBondContact O-CB 3.41Å; H392-E396 WeakPolarHBondContact O-CG 3.4Å; H392-E396 PolarHBondContact O-N 3.41Å
393	A	70.4	Confident	66.4	Low	47 Å²	47	105 Å²	105	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-65.4	-42.1	177.7	0	0	0	0	0	111.4	L389 N390 E396 T397	L389-A393 VanDerWaalsContact O-CB 3.25Å; L389-A393 WeakPolarHBondContact O-CB 3.39Å; L389-A393 PolarHBondContact O-N 3.2Å; N390-A393 PolarHBondContact O-N 2.02Å; A393-E396 PolarHBondContact O-N 2.82Å; A393-T397 PolarHBondContact O-N 3.09Å; A393-T397 PolarHBondContact O-OG1 3.32Å
394	E	72.2	Confident	67.1	Low	106 Å²	106	102.4 Å²	102.4	50%	0.495	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-44.6	175.4	-77.1	167.1	-163.8	0	0	111.3	N390 T397 E398	N390-E394 PolarHBondContact ND2-OE1 3.44Å; N390-E394 WeakPolarHBondContact O-CB 3.29Å; N390-E394 VanDerWaalsContact O-CG 3.3Å; N390-E394 WeakPolarHBondContact O-CG 3.21Å; N390-E394 PolarHBondContact O-N 3.17Å; E394-T397 WeakPolarHBondContact CA-OG1 3.37Å; E394-T397 PolarHBondContact O-N 3.15Å; E394-T397 PolarHBondContact O-OG1 3.4Å; E394-E398 WeakPolarHBondContact O-CG 3.36Å; E394-E398 PolarHBondContact O-N 3.39Å
395	L	73.1	Confident	67.5	Low	99 Å²	99	106.2 Å²	106.2	52%	0.518	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-38.9	175.5	-73.6	166.3	0	0	0	112.8	Q391 H392 E398 E399	Q391-L395 WeakPolarHBondContact O-CB 2.98Å; Q391-L395 WeakPolarHBondContact O-CD1 3.42Å; Q391-L395 VanDerWaalsContact O-CG 3.24Å; Q391-L395 WeakPolarHBondContact O-CG 3.04Å; Q391-L395 PolarHBondContact O-N 3.05Å; H392-L395 PolarHBondContact O-N 2.69Å; L395-E398 PolarHBondContact O-N 3.49Å; L395-E399 WeakPolarHBondContact O-CB 3.38Å; L395-E399 WeakPolarHBondContact O-CG 3.26Å; L395-E399 PolarHBondContact O-N 2.92Å
396	E	72.7	Confident	67.8	Low	119 Å²	119	108 Å²	108	56%	0.556	54%	0.544	S	S	*	.	H	α-helix	trans	-65.8	-41.5	175	-77.5	177.4	179.5	0	0	111.3	H392 A393 E399 E400	H392-E396 WeakPolarHBondContact O-CB 3.41Å; H392-E396 WeakPolarHBondContact O-CG 3.4Å; H392-E396 PolarHBondContact O-N 3.41Å; A393-E396 PolarHBondContact O-N 2.82Å; E396-E399 PolarHBondContact O-N 2.97Å; E396-E400 WeakPolarHBondContact O-CB 3.49Å; E396-E400 WeakPolarHBondContact O-CG 3.41Å; E396-E400 PolarHBondContact O-N 2.87Å
397	T	74.8	Confident	67.8	Low	75 Å²	75	110.4 Å²	110.4	46%	0.46	55%	0.547	S	S	.	.	H	α-helix	trans	-65.2	-39	172.7	28.5	0	0	0	0	112.9	A393 E394 E400 E401	A393-T397 PolarHBondContact O-N 3.09Å; A393-T397 PolarHBondContact O-OG1 3.32Å; E394-T397 WeakPolarHBondContact CA-OG1 3.37Å; E394-T397 PolarHBondContact O-N 3.15Å; E394-T397 PolarHBondContact O-OG1 3.4Å; T397-E400 PolarHBondContact O-N 3.13Å; T397-E401 WeakPolarHBondContact O-CB 3.33Å; T397-E401 WeakPolarHBondContact O-CG 3.46Å; T397-E401 PolarHBondContact O-N 2.7Å
398	E	72.5	Confident	67.7	Low	106 Å²	106	111.8 Å²	111.8	50%	0.495	55%	0.553	S	S	.	*	H	α-helix	trans	-67.9	-34.6	176	-76.7	-173.1	179	0	0	112.3	E394 L395 K402	E394-E398 WeakPolarHBondContact O-CG 3.36Å; E394-E398 PolarHBondContact O-N 3.39Å; L395-E398 PolarHBondContact O-N 3.49Å; E398-K402 WeakPolarHBondContact O-CB 3.21Å; E398-K402 WeakPolarHBondContact O-CG 3.47Å; E398-K402 PolarHBondContact O-N 3.37Å; E398-K402 VanDerWaalsContact O-N 3.07Å
399	E	73	Confident	67.6	Low	131 Å²	131	111.8 Å²	111.8	61%	0.612	56%	0.555	S	S	*	*	H	α-helix	trans	-71.6	-38.4	173.2	-79	-172.8	169.6	0	0	112	L395 E396 N403	L395-E399 WeakPolarHBondContact O-CB 3.38Å; L395-E399 WeakPolarHBondContact O-CG 3.26Å; L395-E399 PolarHBondContact O-N 2.92Å; E396-E399 PolarHBondContact O-N 2.97Å; E399-N403 VanDerWaalsContact O-CB 3.3Å; E399-N403 WeakPolarHBondContact O-CB 3.3Å; E399-N403 PolarHBondContact O-N 2.99Å; E399-N403 PolarHBondContact O-ND2 3.27Å
400	E	70.9	Confident	67.2	Low	130 Å²	130	115.5 Å²	115.5	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-66.3	-41.6	174.1	-77.6	-172.4	166.6	0	0	112.1	E396 T397 N403 L404	E396-E400 WeakPolarHBondContact O-CB 3.49Å; E396-E400 WeakPolarHBondContact O-CG 3.41Å; E396-E400 PolarHBondContact O-N 2.87Å; T397-E400 PolarHBondContact O-N 3.13Å; E400-N403 PolarHBondContact O-N 3.43Å; E400-L404 PolarHBondContact O-N 2.87Å
401	E	71.8	Confident	66.6	Low	134 Å²	134	116.3 Å²	116.3	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-44.3	175.4	-78.1	-174.6	167.3	0	0	111.6	T397 N403 L404 E405	T397-E401 WeakPolarHBondContact O-CB 3.33Å; T397-E401 WeakPolarHBondContact O-CG 3.46Å; T397-E401 PolarHBondContact O-N 2.7Å; E401-N403 PolarHBondContact O-N 3.37Å; E401-L404 PolarHBondContact O-N 3.3Å; E401-E405 PolarHBondContact O-N 3.32Å
402	K	72.2	Confident	66	Low	127 Å²	127	112.2 Å²	112.2	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-63.4	-39.9	174.8	-78.9	175.5	-177.8	163.8	0	112.8	E398 L404 E405 E406	E398-K402 WeakPolarHBondContact O-CB 3.21Å; E398-K402 WeakPolarHBondContact O-CG 3.47Å; E398-K402 PolarHBondContact O-N 3.37Å; E398-K402 VanDerWaalsContact O-N 3.07Å; K402-L404 VanDerWaalsContact C-N 3.34Å; K402-E405 PolarHBondContact O-N 2.9Å; K402-E406 WeakPolarHBondContact O-CB 3.28Å; K402-E406 WeakPolarHBondContact O-CG 3.47Å; K402-E406 PolarHBondContact O-N 3.13Å
403	N	69.3	Low	65.1	Low	89 Å²	89	113.1 Å²	113.1	48%	0.476	57%	0.565	S	S	.	*	H	α-helix	trans	-68	-34.3	176.8	-77.2	-43.9	0	0	0	112	E399 E400 E401 Q407	E399-N403 VanDerWaalsContact O-CB 3.3Å; E399-N403 WeakPolarHBondContact O-CB 3.3Å; E399-N403 PolarHBondContact O-N 2.99Å; E399-N403 PolarHBondContact O-ND2 3.27Å; E400-N403 PolarHBondContact O-N 3.43Å; E401-N403 PolarHBondContact O-N 3.37Å; N403-Q407 WeakPolarHBondContact O-CB 3.36Å; N403-Q407 WeakPolarHBondContact O-CG 3.41Å; N403-Q407 PolarHBondContact O-N 3.46Å
404	L	67.7	Low	64.2	Low	113 Å²	113	116.4 Å²	116.4	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-68.9	-42.9	172.7	-110.2	99.9	0	0	0	111.6	E400 E401 K402 Q407 T408	E400-L404 PolarHBondContact O-N 2.87Å; E401-L404 PolarHBondContact O-N 3.3Å; K402-L404 VanDerWaalsContact C-N 3.34Å; L404-Q407 PolarHBondContact O-N 2.78Å; L404-T408 WeakPolarHBondContact O-CB 3.48Å; L404-T408 PolarHBondContact O-N 2.95Å; L404-T408 PolarHBondContact O-OG1 3.5Å
405	E	65.1	Low	63	Low	133 Å²	133	115.2 Å²	115.2	62%	0.621	59%	0.588	S	S	*	*	H	α-helix	trans	-62.5	-45.9	175.8	-75.4	-175	160.7	0	0	111.2	E401 K402 Q407 T408 E409	E401-E405 PolarHBondContact O-N 3.32Å; K402-E405 PolarHBondContact O-N 2.9Å; E405-Q407 VanDerWaalsContact C-N 3.34Å; E405-Q407 PolarHBondContact O-N 3.39Å; E405-T408 PolarHBondContact O-N 3.3Å; E405-T408 VanDerWaalsContact O-N 3.12Å; E405-E409 WeakPolarHBondContact O-CG 3.25Å; E405-E409 PolarHBondContact O-N 3.42Å
406	E	62.2	Low	61.6	Low	118 Å²	118	117.8 Å²	117.8	55%	0.551	60%	0.602	S	S	*	*	H	α-helix	trans	-64.6	-34	176.5	-76.6	-171.1	177.7	0	0	113.1	K402 R410	K402-E406 WeakPolarHBondContact O-CB 3.28Å; K402-E406 WeakPolarHBondContact O-CG 3.47Å; K402-E406 PolarHBondContact O-N 3.13Å; E406-R410 WeakPolarHBondContact O-CB 3.36Å; E406-R410 PolarHBondContact O-N 3.17Å
407	Q	56.9	Low	60.4	Low	126 Å²	126	119.5 Å²	119.5	59%	0.589	61%	0.614	S	S	*	*	H	α-helix	trans	-72.5	-33	172.9	-79.6	-176.1	9.2	0	0	112.6	N403 L404 E405 N411	N403-Q407 WeakPolarHBondContact O-CB 3.36Å; N403-Q407 WeakPolarHBondContact O-CG 3.41Å; N403-Q407 PolarHBondContact O-N 3.46Å; L404-Q407 PolarHBondContact O-N 2.78Å; E405-Q407 VanDerWaalsContact C-N 3.34Å; E405-Q407 PolarHBondContact O-N 3.39Å; Q407-N411 VanDerWaalsContact O-CB 3.28Å; Q407-N411 WeakPolarHBondContact O-CB 3.43Å; Q407-N411 VanDerWaalsContact O-CG 3.28Å; Q407-N411 PolarHBondContact O-N 3.09Å; Q407-N411 PolarHBondContact O-ND2 2.86Å
408	T	58	Low	59	Low	94 Å²	94	124.9 Å²	124.9	58%	0.577	63%	0.634	S	S	*	*	H	α-helix	trans	-74.4	-36	177.9	-45.4	0	0	0	0	110.6	L404 E405 G412	L404-T408 WeakPolarHBondContact O-CB 3.48Å; L404-T408 PolarHBondContact O-N 2.95Å; L404-T408 PolarHBondContact O-OG1 3.5Å; E405-T408 PolarHBondContact O-N 3.3Å; E405-T408 VanDerWaalsContact O-N 3.12Å; T408-G412 PolarHBondContact O-N 3.39Å
409	E	56.7	Low	57.6	Low	140 Å²	140	127.6 Å²	127.6	65%	0.654	65%	0.652	S	S	*	*	H	α-helix	trans	-68.8	-42.5	171.3	-71.8	-171.2	159.9	0	0	111.8	E405 N411 G412 D413	E405-E409 WeakPolarHBondContact O-CG 3.25Å; E405-E409 PolarHBondContact O-N 3.42Å; E409-N411 VanDerWaalsContact C-N 3.34Å; E409-N411 PolarHBondContact O-N 3.29Å; E409-G412 PolarHBondContact O-N 3.1Å; E409-D413 PolarHBondContact O-N 3.23Å
410	R	54.2	Low	56.1	Low	197 Å²	197	130.9 Å²	130.9	74%	0.743	67%	0.668	S	S	*	*	H	α-helix	trans	-65.3	-33	174.5	-91.5	-173.5	-175.5	175.2	7.2	114.3	E406	E406-R410 WeakPolarHBondContact O-CB 3.36Å; E406-R410 PolarHBondContact O-N 3.17Å
411	N	53.6	Low	54.7	Low	116 Å²	116	130 Å²	130	62%	0.62	68%	0.676	S	S	*	*	H	α-helix	trans	-85.4	-19.8	176.7	-71	-26.6	0	0	0	112.4	Q407 E409	Q407-N411 VanDerWaalsContact O-CB 3.28Å; Q407-N411 WeakPolarHBondContact O-CB 3.43Å; Q407-N411 VanDerWaalsContact O-CG 3.28Å; Q407-N411 PolarHBondContact O-N 3.09Å; Q407-N411 PolarHBondContact O-ND2 2.86Å; E409-N411 VanDerWaalsContact C-N 3.34Å; E409-N411 PolarHBondContact O-N 3.29Å
412	G	51.2	Low	53.5	Low	38 Å²	38	133.4 Å²	133.4	39%	0.392	69%	0.689	S	S	.	*	H	α-helix	trans	-71.9	-29.5	173.4	0	0	0	0	0	113.8	T408 E409	T408-G412 PolarHBondContact O-N 3.39Å; E409-G412 PolarHBondContact O-N 3.1Å
413	D	49.7	Very low	51.9	Low	137 Å²	137	137.9 Å²	137.9	73%	0.733	73%	0.726	S	S	*	*	S	Bend	trans	-84.5	-6.8	178.9	-78.7	-22.7	0	0	0	114.4	E409	E409-D413 PolarHBondContact O-N 3.23Å
414	V	50.1	Low	51.1	Low	117 Å²	117	140.3 Å²	140.3	71%	0.709	74%	0.738	S	S	*	*	S	Bend	trans	-100.4	-8.6	177.4	-173.4	0	0	0	0	112.2
415	A	46.6	Very low	50.2	Low	80 Å²	80	141.7 Å²	141.7	66%	0.661	75%	0.746	S	S	*	*	S	Bend	trans	-96.5	7.6	-175.1	0	0	0	0	0	115.5
416	N	45.5	Very low	49.3	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	75%	0.753	S	S	*	*	S	Bend	trans	-121.8	22.9	-175	-98.9	-19.6	0	0	0	115.4
417	L	45.8	Very low	48.6	Very low	155 Å²	155	143.6 Å²	143.6	81%	0.812	77%	0.765	S	S	*	*	S	Bend	trans	-119.3	8.8	-178.3	-90.9	158.1	0	0	0	116.1
418	E	46	Very low	48.1	Very low	188 Å²	188	144.8 Å²	144.8	88%	0.879	78%	0.776	S	S	*	*	S	Bend	trans	-133.8	67.5	177.7	-72.2	-171.2	149.9	0	0	112.5
419	N	42.7	Very low	47.4	Very low	164 Å²	164	148.1 Å²	148.1	88%	0.877	79%	0.789	S	S	*	*			trans	-168.5	64.2	155	-119.3	-8.6	0	0	0	115.1
420	E	42.1	Very low	46.7	Very low	199 Å²	199	148.7 Å²	148.7	93%	0.93	80%	0.799	S	S	*	*			trans	-139.9	82.8	158.9	-79.6	-165.8	142.4	0	0	110.6
421	S	40.8	Very low	46.2	Very low	111 Å²	111	145 Å²	145	78%	0.776	80%	0.803	S	S	*	*			trans	-161.4	88.1	155.4	54	0	0	0	0	111.6
422	K	47.1	Very low	45.6	Very low	207 Å²	207	147.4 Å²	147.4	90%	0.9	82%	0.818	S	S	*	*			trans	169.6	127.1	137.5	-96.2	166.9	-178.4	176.6	0	112.4
423	V	39.1	Very low	45.1	Very low	220 Å²	220	157.4 Å²	157.4	100%	1.333	86%	0.857	S	S	*	*			trans	85.4	0	171.2	-166.7	0	0	0	0	115.9

Retrieved 423 of 423 residues in 84.9 ms (Link to these results)

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