A0A5K4FC54_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FC54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 562 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	29.6	Very low	31.1	Very low	202 Å²	202	144.4 Å²	144.4	100%	0.995	71%	0.712	S	S	*	*				0	-46.7	0	-108.1	166.6	76.5	0	0	111.9	D3	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.11Å
2	N	29.5	Very low	31.1	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	68%	0.68	S	S	*	*			trans	-70.8	-20.9	175	-77.8	-8.8	0	0	0	115.1
3	D	31.3	Very low	32.1	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	70%	0.704	S	S	*	*	S	Bend	trans	-82.1	-21.9	178.5	-62.1	-33.2	0	0	0	113.7	M1 L5	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.11Å; D3-L5 PolarHBondContact O-N 3.01Å
4	M	29.7	Very low	32.3	Very low	150 Å²	150	135.4 Å²	135.4	74%	0.739	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-12.1	-177.2	-72.1	-178.3	69	0	0	114.3
5	L	33.1	Very low	32.8	Very low	146 Å²	146	135 Å²	135	76%	0.764	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-7.4	-176.3	-72.4	171.4	0	0	0	114	D3	D3-L5 PolarHBondContact O-N 3.01Å
6	N	33	Very low	32.7	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	70%	0.699	S	S	*	*	S	Bend	trans	-109.8	2	-177	-82.2	-27.3	0	0	0	114.7
7	E	30.2	Very low	32.9	Very low	95 Å²	95	129.9 Å²	129.9	44%	0.444	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-82.3	121.1	177	-74.1	-172.5	171.7	0	0	111.5	Y9	E7-Y9 HydrophobicContact CB-CE2 4Å; E7-Y9 WeakPolarHBondContact O-CD2 3.33Å; E7-Y9 VanDerWaalsContact O-CE2 3.26Å; E7-Y9 WeakPolarHBondContact O-CE2 3.42Å; E7-Y9 PolarHBondContact OE2-OH 2.74Å
8	R	32.9	Very low	33	Very low	193 Å²	193	126.8 Å²	126.8	73%	0.728	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-89.3	124.6	175	-64	-177.3	-167.5	-177.2	3.6	109	M20	R8-M20 HydrophobicContact CB-CE 4.27Å; R8-M20 HydrophobicContact CB-SD 3.81Å; R8-M20 WeakPolarHBondContact O-CB 3.38Å
9	Y	31.6	Very low	33.6	Very low	126 Å²	126	121.1 Å²	121.1	49%	0.494	65%	0.647	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	139.3	178.5	-60.1	-86.9	0	0	0	110.1	E7 A19	E7-Y9 HydrophobicContact CB-CE2 4Å; E7-Y9 WeakPolarHBondContact O-CD2 3.33Å; E7-Y9 VanDerWaalsContact O-CE2 3.26Å; E7-Y9 WeakPolarHBondContact O-CE2 3.42Å; E7-Y9 PolarHBondContact OE2-OH 2.74Å; Y9-A19 HydrophobicContact CE1-CB 4.02Å
10	V	33.3	Very low	34	Very low	94 Å²	94	120.4 Å²	120.4	57%	0.57	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.5	128.7	172.9	-178.6	0	0	0	0	108.3	S12 M20	V10-S12 PolarHBondContact O-N 2.76Å; V10-M20 HydrophobicContact CG2-SD 4.37Å
11	L	27.9	Very low	34.8	Very low	159 Å²	159	118.8 Å²	118.8	83%	0.832	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.7	116.6	176.1	-70.5	166.6	0	0	0	109.5
12	S	31.4	Very low	35.6	Very low	47 Å²	47	114.5 Å²	114.5	33%	0.329	62%	0.62	S	S	.	*			trans	-88.1	159.3	168.9	90.3	0	0	0	0	110.2	V10 S14	V10-S12 PolarHBondContact O-N 2.76Å; S12-S14 PolarHBondContact O-N 2.88Å; S12-S14 VanDerWaalsContact O-N 3.08Å; S12-S14 PolarHBondContact OG-O 3.44Å; S12-S14 VanDerWaalsContact OG-O 3.1Å; S12-S14 PolarHBondContact OG-OG 2.85Å
13	N	43.6	Very low	36.1	Very low	187 Å²	187	112.4 Å²	112.4	100%	1	61%	0.612	S	S	*	*	S	Bend	trans	-72.7	5.5	-176.3	-82	-17.6	0	0	0	114.7
14	S	34.9	Very low	36.3	Very low	73 Å²	73	112.6 Å²	112.6	51%	0.51	61%	0.613	S	S	.	*	S	Bend	trans	-111.9	137.3	159.1	50.1	0	0	0	0	107.3	S12 D16	S12-S14 PolarHBondContact O-N 2.88Å; S12-S14 VanDerWaalsContact O-N 3.08Å; S12-S14 PolarHBondContact OG-O 3.44Å; S12-S14 VanDerWaalsContact OG-O 3.1Å; S12-S14 PolarHBondContact OG-OG 2.85Å; S14-D16 PolarHBondContact O-N 3.39Å
15	S	39.4	Very low	36.3	Very low	130 Å²	130	110.7 Å²	110.7	91%	0.909	62%	0.615	S	S	*	*	S	Bend	trans	-60.9	24.9	-165.9	41.2	0	0	0	0	117.9
16	D	32.2	Very low	35.9	Very low	114 Å²	114	108.7 Å²	108.7	61%	0.61	61%	0.613	S	S	*	*			trans	-112	132.2	174.6	-60.4	-38.7	0	0	0	110.4	S14	S14-D16 PolarHBondContact O-N 3.39Å
17	A	35	Very low	35.8	Very low	70 Å²	70	108.9 Å²	108.9	58%	0.579	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.3	124.6	174.1	0	0	0	0	0	109.7
18	I	36.1	Very low	35.6	Very low	74 Å²	74	113 Å²	113	38%	0.379	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	136.6	-179.5	-58.1	168.9	0	0	0	108.9	D22	I18-D22 HydrophobicContact CG2-CB 3.95Å
19	A	43.5	Very low	35.2	Very low	17 Å²	17	109.8 Å²	109.8	14%	0.14	64%	0.64	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.8	140.2	176	0	0	0	0	0	111	Y9 S21 D22	Y9-A19 HydrophobicContact CE1-CB 4.02Å; A19-S21 PolarHBondContact O-N 3.41Å; A19-S21 VanDerWaalsContact O-N 3.07Å; A19-D22 PolarHBondContact O-N 2.99Å
20	M	42.7	Very low	35	Very low	108 Å²	108	115.7 Å²	115.7	53%	0.532	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-60.7	-21.3	-176.4	-125.3	161.3	64.2	0	0	114.2	R8 V10 D22	R8-M20 HydrophobicContact CB-CE 4.27Å; R8-M20 HydrophobicContact CB-SD 3.81Å; R8-M20 WeakPolarHBondContact O-CB 3.38Å; V10-M20 HydrophobicContact CG2-SD 4.37Å; M20-D22 PolarHBondContact O-N 3.46Å
21	S	49.4	Very low	34.5	Very low	86 Å²	86	120.6 Å²	120.6	60%	0.601	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-63.4	-27.2	174.4	54.8	0	0	0	0	113.2	A19	A19-S21 PolarHBondContact O-N 3.41Å; A19-S21 VanDerWaalsContact O-N 3.07Å
22	D	45.9	Very low	34.5	Very low	112 Å²	112	124.2 Å²	124.2	60%	0.599	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-95.5	-3.7	-170.3	-60.8	-12.4	0	0	0	112.2	I18 A19 M20 N24	I18-D22 HydrophobicContact CG2-CB 3.95Å; A19-D22 PolarHBondContact O-N 2.99Å; M20-D22 PolarHBondContact O-N 3.46Å; D22-N24 PolarHBondContact O-N 3.42Å
23	V	41.9	Very low	34.1	Very low	95 Å²	95	129.9 Å²	129.9	58%	0.576	70%	0.704	S	S	*	*			trans	-81.9	82.5	178	-172.8	0	0	0	0	109.2	S25	V23-S25 PolarHBondContact O-N 3.44Å
24	N	34	Very low	33.3	Very low	146 Å²	146	126 Å²	126	78%	0.781	69%	0.688	S	S	*	*			trans	-62.4	107.7	169.8	-93.5	-25.3	0	0	0	111	D22 S26	D22-N24 PolarHBondContact O-N 3.42Å; N24-S26 PolarHBondContact O-N 3.2Å
25	S	29.4	Very low	32.8	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	71%	0.706	S	S	*	*	S	Bend	trans	12.3	89	157.2	66.5	0	0	0	0	117.6	V23	V23-S25 PolarHBondContact O-N 3.44Å
26	S	25.9	Very low	32.1	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	69%	0.693	S	S	*	*			trans	179.4	121.8	135.4	49.5	0	0	0	0	107.9	N24	N24-S26 PolarHBondContact O-N 3.2Å
27	V	30.3	Very low	31.8	Very low	147 Å²	147	131.3 Å²	131.3	89%	0.891	69%	0.694	S	S	*	*			trans	170.4	116.2	142	163.1	0	0	0	0	106.6
28	E	26.4	Very low	31.3	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	71%	0.707	S	S	*	*			trans	-62.7	140.5	-170.8	-67.7	168.9	127.1	0	0	114	R30	E28-R30 PolarHBondContact O-N 3.04Å
29	T	24.4	Very low	31	Very low	125 Å²	125	143.8 Å²	143.8	77%	0.767	73%	0.728	S	S	*	*			trans	-23.7	116.1	154.8	45.9	0	0	0	0	115.6
30	R	27.2	Very low	30.3	Very low	250 Å²	250	151.7 Å²	151.7	94%	0.943	76%	0.76	S	S	*	*			trans	-119	96.3	148.6	-86.8	-173.5	176.8	177.6	1.2	110.5	E28 R32	E28-R30 PolarHBondContact O-N 3.04Å; R30-R32 PolarHBondContact O-N 3.19Å
31	K	23.9	Very low	29.6	Very low	196 Å²	196	150.4 Å²	150.4	85%	0.852	76%	0.755	S	S	*	*			trans	-54.1	113.7	161	-67.8	174.4	175.1	176.6	0	109.7
32	R	27.2	Very low	29	Very low	235 Å²	235	151.2 Å²	151.2	89%	0.887	76%	0.756	S	S	*	*			trans	-148	119.9	142.6	-75.2	-161.4	-173.7	160.1	2.9	109.3	R30 V34	R30-R32 PolarHBondContact O-N 3.19Å; R32-V34 PolarHBondContact O-N 3.27Å
33	N	23.8	Very low	28.5	Very low	166 Å²	166	150.7 Å²	150.7	89%	0.888	76%	0.757	S	S	*	*			trans	-53.5	106	174	-63.9	-28.7	0	0	0	110.2
34	V	27	Very low	28.1	Very low	107 Å²	107	152.6 Å²	152.6	65%	0.648	76%	0.76	S	S	*	*			trans	-121.9	105.8	157.2	-176.9	0	0	0	0	104.9	R32 H36	R32-V34 PolarHBondContact O-N 3.27Å; V34-H36 PolarHBondContact O-N 3.3Å
35	H	23.5	Very low	28.1	Very low	192 Å²	192	147.6 Å²	147.6	89%	0.889	74%	0.738	S	S	*	*			trans	-63.4	91.1	167.7	-79.4	-43.5	0	0	0	107.8
36	H	25.3	Very low	28.3	Very low	138 Å²	138	146.9 Å²	146.9	64%	0.639	73%	0.726	S	S	*	*			trans	-72.4	141.6	163.1	-93.9	-78.5	0	0	0	109.1	V34 K38	V34-H36 PolarHBondContact O-N 3.3Å; H36-K38 PolarHBondContact O-N 2.9Å
37	P	24.9	Very low	28.4	Very low	97 Å²	97	147.8 Å²	147.8	63%	0.63	72%	0.718	S	S	*	*			trans	-56.8	133.9	179.6	-17.7	29.6	0	0	0	109.9	Y39	P37-Y39 WeakPolarHBondContact O-CD2 3.41Å; P37-Y39 PolarHBondContact O-N 3.45Å
38	K	25.4	Very low	28.5	Very low	199 Å²	199	146.3 Å²	146.3	87%	0.865	71%	0.709	S	S	*	*			trans	-54.8	109.2	172	-72.6	177.5	175.6	-179.5	0	108.5	H36 F40	H36-K38 PolarHBondContact O-N 2.9Å; K38-F40 PolarHBondContact O-N 3.36Å
39	Y	30	Very low	28.7	Very low	207 Å²	207	143.5 Å²	143.5	81%	0.812	70%	0.698	S	S	*	*			trans	-65.6	117.9	166.9	-72	-85.5	0	0	0	107.8	P37	P37-Y39 WeakPolarHBondContact O-CD2 3.41Å; P37-Y39 PolarHBondContact O-N 3.45Å
40	F	27	Very low	29	Very low	184 Å²	184	144.9 Å²	144.9	81%	0.807	70%	0.696	S	S	*	*			trans	-65.1	131.9	175.7	-102.6	-101.1	0	0	0	109.9	K38 V42	K38-F40 PolarHBondContact O-N 3.36Å; F40-V42 PolarHBondContact O-N 3.1Å
41	N	29.7	Very low	29.3	Very low	81 Å²	81	138.7 Å²	138.7	43%	0.433	69%	0.686	S	S	.	*			trans	-74.5	109.6	171.3	-177.7	-6.3	0	0	0	108.9	T43 E44 A45	N41-T43 PolarHBondContact O-N 3.06Å; N41-T43 WeakPolarHBondContact OD1-CB 3.42Å; N41-T43 PolarHBondContact OD1-N 3.46Å; N41-T43 PolarHBondContact OD1-OG1 3.41Å; N41-E44 HydrophobicContact CB-CB 4.27Å; N41-E44 PolarHBondContact O-N 3.36Å; N41-E44 VanDerWaalsContact O-N 3.16Å; N41-A45 PolarHBondContact O-N 3.03Å; N41-A45 VanDerWaalsContact O-N 3.11Å
42	V	35.5	Very low	29.7	Very low	102 Å²	102	131.8 Å²	131.8	62%	0.618	67%	0.67	S	S	*	*	H	α-helix	trans	-59.4	-28.4	180	177.4	0	0	0	0	111.6	F40 A45 L46	F40-V42 PolarHBondContact O-N 3.1Å; V42-A45 PolarHBondContact O-N 2.95Å; V42-L46 HydrophobicContact CG1-CD1 3.97Å; V42-L46 WeakPolarHBondContact O-CB 3.23Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 2.92Å
43	T	35.1	Very low	29.8	Very low	101 Å²	101	128.1 Å²	128.1	62%	0.62	67%	0.667	S	S	*	*	H	α-helix	trans	-73.5	-36.3	178.5	-41.9	0	0	0	0	112.1	N41 L46 H47	N41-T43 PolarHBondContact O-N 3.06Å; N41-T43 WeakPolarHBondContact OD1-CB 3.42Å; N41-T43 PolarHBondContact OD1-N 3.46Å; N41-T43 PolarHBondContact OD1-OG1 3.41Å; T43-L46 PolarHBondContact O-N 3.34Å; T43-H47 PolarHBondContact O-N 2.94Å
44	E	34.3	Very low	29.9	Very low	136 Å²	136	125 Å²	125	64%	0.636	66%	0.659	S	S	*	*	H	α-helix	trans	-70	-36.3	171.6	-87.4	177.7	152.2	0	0	111.3	N41 L46 H47 V48	N41-E44 HydrophobicContact CB-CB 4.27Å; N41-E44 PolarHBondContact O-N 3.36Å; N41-E44 VanDerWaalsContact O-N 3.16Å; E44-L46 VanDerWaalsContact C-N 3.35Å; E44-H47 PolarHBondContact O-N 2.88Å; E44-V48 WeakPolarHBondContact O-CG2 3.47Å; E44-V48 PolarHBondContact O-N 2.84Å
45	A	34.4	Very low	30.3	Very low	40 Å²	40	128 Å²	128	33%	0.331	67%	0.671	S	S	.	*	H	α-helix	trans	-64.5	-40.1	173.6	0	0	0	0	0	111.7	N41 V42 V48 I49	N41-A45 PolarHBondContact O-N 3.03Å; N41-A45 VanDerWaalsContact O-N 3.11Å; V42-A45 PolarHBondContact O-N 2.95Å; A45-V48 PolarHBondContact O-N 3.19Å; A45-I49 WeakPolarHBondContact O-CD1 3.46Å; A45-I49 VanDerWaalsContact O-CG1 3.26Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 3.39Å; A45-I49 VanDerWaalsContact O-N 3.09Å
46	L	32.4	Very low	30.6	Very low	95 Å²	95	125.6 Å²	125.6	50%	0.497	66%	0.664	S	S	.	*	H	α-helix	trans	-66.1	-36.7	174.2	-82.7	161.3	0	0	0	112.1	V42 T43 E44 V48 I49 E50	V42-L46 HydrophobicContact CG1-CD1 3.97Å; V42-L46 WeakPolarHBondContact O-CB 3.23Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 2.92Å; T43-L46 PolarHBondContact O-N 3.34Å; E44-L46 VanDerWaalsContact C-N 3.35Å; L46-V48 VanDerWaalsContact C-N 3.35Å; L46-V48 PolarHBondContact O-N 3.39Å; L46-I49 PolarHBondContact O-N 3.02Å; L46-E50 PolarHBondContact O-N 3.32Å
47	H	29.8	Very low	30.7	Very low	124 Å²	124	122.9 Å²	122.9	57%	0.574	67%	0.666	S	S	*	*	H	α-helix	trans	-72.6	-27.4	177.7	-142.1	49.3	0	0	0	113.2	T43 E44 V51	T43-H47 PolarHBondContact O-N 2.94Å; E44-H47 PolarHBondContact O-N 2.88Å; H47-V51 WeakPolarHBondContact O-CG2 3.18Å; H47-V51 PolarHBondContact O-N 2.84Å
48	V	31.6	Very low	30.7	Very low	115 Å²	115	123.3 Å²	123.3	70%	0.697	67%	0.672	S	S	*	*	H	α-helix	trans	-74.3	-29.5	170.6	174.5	0	0	0	0	111.5	E44 A45 L46	E44-V48 WeakPolarHBondContact O-CG2 3.47Å; E44-V48 PolarHBondContact O-N 2.84Å; A45-V48 PolarHBondContact O-N 3.19Å; L46-V48 VanDerWaalsContact C-N 3.35Å; L46-V48 PolarHBondContact O-N 3.39Å
49	I	31.1	Very low	30.7	Very low	124 Å²	124	120.8 Å²	120.8	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-79.7	-34.1	177.1	-67.2	167.5	0	0	0	111.5	A45 L46	A45-I49 WeakPolarHBondContact O-CD1 3.46Å; A45-I49 VanDerWaalsContact O-CG1 3.26Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 3.39Å; A45-I49 VanDerWaalsContact O-N 3.09Å; L46-I49 PolarHBondContact O-N 3.02Å
50	E	30.3	Very low	30.4	Very low	154 Å²	154	118 Å²	118	72%	0.72	66%	0.664	S	S	*	*	H	α-helix	trans	-73.5	-24.1	178.9	-87.3	-176	151.8	0	0	114.4	L46	L46-E50 PolarHBondContact O-N 3.32Å
51	V	33.7	Very low	30.2	Very low	120 Å²	120	114.2 Å²	114.2	73%	0.727	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	10.5	-176.3	-165.7	0	0	0	0	112.7	H47	H47-V51 WeakPolarHBondContact O-CG2 3.18Å; H47-V51 PolarHBondContact O-N 2.84Å
52	G	30.8	Very low	30	Very low	50 Å²	50	115.1 Å²	115.1	52%	0.515	67%	0.666	S	S	.	*	S	Bend	trans	-123.4	6.4	-159.3	0	0	0	0	0	119.4
53	L	29.6	Very low	29.5	Very low	159 Å²	159	118.2 Å²	118.2	83%	0.832	68%	0.678	S	S	*	*			trans	-140	108.9	175.3	-72.9	170.6	0	0	0	110.7
54	S	27	Very low	28.9	Very low	101 Å²	101	122.3 Å²	122.3	71%	0.706	69%	0.688	S	S	*	*			trans	-68.7	153.8	176.6	70.7	0	0	0	0	111.8	D56	S54-D56 PolarHBondContact O-N 3.49Å
55	D	34.7	Very low	28.6	Very low	170 Å²	170	122.6 Å²	122.6	91%	0.909	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	19.6	-174.1	-73.8	-38.7	0	0	0	117.2
56	D	29.8	Very low	28.2	Very low	140 Å²	140	129.2 Å²	129.2	75%	0.749	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	18	-171.6	-80.1	-35.1	0	0	0	116.1	S54 S58	S54-D56 PolarHBondContact O-N 3.49Å; D56-S58 VanDerWaalsContact C-N 3.26Å; D56-S58 PolarHBondContact O-N 2.86Å; D56-S58 VanDerWaalsContact O-N 3.09Å
57	A	27.1	Very low	28.2	Very low	82 Å²	82	133.4 Å²	133.4	68%	0.678	73%	0.727	S	S	*	*			trans	-87.6	58.4	172.2	0	0	0	0	0	112.6	L59	A57-L59 PolarHBondContact O-N 3.42Å
58	S	25.4	Very low	28.1	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	73%	0.73	S	S	*	*			trans	-77	65.6	166.8	43.1	0	0	0	0	110.8	D56 I60	D56-S58 VanDerWaalsContact C-N 3.26Å; D56-S58 PolarHBondContact O-N 2.86Å; D56-S58 VanDerWaalsContact O-N 3.09Å; S58-I60 VanDerWaalsContact C-N 3.27Å; S58-I60 PolarHBondContact O-N 2.92Å; S58-I60 VanDerWaalsContact O-N 3.17Å
59	L	24.6	Very low	28.4	Very low	146 Å²	146	136.8 Å²	136.8	76%	0.764	73%	0.732	S	S	*	*			trans	-88.3	64.2	172.4	-104.4	151	0	0	0	110.6	A57 V61	A57-L59 PolarHBondContact O-N 3.42Å; L59-V61 HydrophobicContact CD2-CG2 3.57Å; L59-V61 PolarHBondContact O-N 3.45Å
60	I	25	Very low	28.7	Very low	147 Å²	147	137.9 Å²	137.9	75%	0.754	73%	0.734	S	S	*	*			trans	-79.2	95.9	155	-61.7	173.8	0	0	0	105.1	S58 P62	S58-I60 VanDerWaalsContact C-N 3.27Å; S58-I60 PolarHBondContact O-N 2.92Å; S58-I60 VanDerWaalsContact O-N 3.17Å; I60-P62 HydrophobicContact CG2-CG 4.43Å; I60-P62 WeakPolarHBondContact O-CD 3.22Å
61	V	22.8	Very low	29.3	Very low	106 Å²	106	134.6 Å²	134.6	64%	0.642	73%	0.728	S	S	*	*			trans	-80.8	104.5	161.7	-179.6	0	0	0	0	106.1	L59 L63	L59-V61 HydrophobicContact CD2-CG2 3.57Å; L59-V61 PolarHBondContact O-N 3.45Å; V61-L63 PolarHBondContact O-N 2.87Å; V61-L63 VanDerWaalsContact O-N 3.14Å
62	P	25.2	Very low	29.8	Very low	100 Å²	100	133.9 Å²	133.9	65%	0.649	72%	0.719	S	S	*	*			trans	-74.4	111.4	171.7	1.7	18.5	0	0	0	105.7	I60 K64	I60-P62 HydrophobicContact CG2-CG 4.43Å; I60-P62 WeakPolarHBondContact O-CD 3.22Å; P62-K64 PolarHBondContact O-N 3.28Å
63	L	25.4	Very low	30.5	Very low	166 Å²	166	133.9 Å²	133.9	87%	0.869	71%	0.711	S	S	*	*			trans	-56.6	91.1	161.9	-86.6	160.4	0	0	0	107.6	V61 L65	V61-L63 PolarHBondContact O-N 2.87Å; V61-L63 VanDerWaalsContact O-N 3.14Å; L63-L65 PolarHBondContact O-N 3.49Å
64	K	22.5	Very low	31.5	Very low	187 Å²	187	132.5 Å²	132.5	81%	0.813	70%	0.701	S	S	*	*			trans	-71.6	79.9	174.6	-151.2	178.2	-169.2	-179.5	0	106.3	P62 Q66	P62-K64 PolarHBondContact O-N 3.28Å; K64-Q66 PolarHBondContact O-N 2.92Å
65	L	27.6	Very low	32.6	Very low	143 Å²	143	130.7 Å²	130.7	75%	0.749	69%	0.686	S	S	*	*			trans	-62.9	93	160.4	-84.8	163.6	0	0	0	106.3	L63 Y67	L63-L65 PolarHBondContact O-N 3.49Å; L65-Y67 HydrophobicContact CB-CD2 4.31Å; L65-Y67 HydrophobicContact CB-CE2 4.48Å; L65-Y67 PolarHBondContact O-N 3.34Å
66	Q	25	Very low	33.6	Very low	178 Å²	178	127.5 Å²	127.5	83%	0.832	67%	0.668	S	S	*	*			trans	-68.9	75.7	178.2	-164.2	172.7	-5.6	0	0	108.1	K64 N68	K64-Q66 PolarHBondContact O-N 2.92Å; Q66-N68 PolarHBondContact O-N 3.08Å
67	Y	33.5	Very low	34.9	Very low	183 Å²	183	124.9 Å²	124.9	72%	0.718	66%	0.66	S	S	*	*			trans	-65.1	116.3	166.1	-93.3	-88.8	0	0	0	107.6	L65 W69	L65-Y67 HydrophobicContact CB-CD2 4.31Å; L65-Y67 HydrophobicContact CB-CE2 4.48Å; L65-Y67 PolarHBondContact O-N 3.34Å; Y67-W69 VanDerWaalsContact C-N 3.26Å; Y67-W69 PolarHBondContact O-N 3.44Å
68	N	28.3	Very low	36.6	Very low	119 Å²	119	127.4 Å²	127.4	64%	0.636	66%	0.658	S	S	*	*			trans	-70.3	82.1	-176.6	-154.6	-1.9	0	0	0	109.7	Q66 E70 S71	Q66-N68 PolarHBondContact O-N 3.08Å; N68-E70 PolarHBondContact O-N 2.91Å; N68-E70 VanDerWaalsContact O-N 3.13Å; N68-S71 PolarHBondContact O-N 3.49Å
69	W	37.8	Very low	38.5	Very low	191 Å²	191	127.2 Å²	127.2	72%	0.723	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-14.7	-174.8	-143.5	-112.1	0	0	0	113	Y67 S71 S73	Y67-W69 VanDerWaalsContact C-N 3.26Å; Y67-W69 PolarHBondContact O-N 3.44Å; W69-S71 VanDerWaalsContact C-N 3.3Å; W69-S71 PolarHBondContact O-N 3.34Å; W69-S73 WeakPolarHBondContact O-CB 3.44Å; W69-S73 PolarHBondContact O-N 3.33Å; W69-S73 PolarHBondContact O-OG 2.91Å
70	E	35.6	Very low	40.5	Very low	147 Å²	147	124.6 Å²	124.6	69%	0.687	64%	0.637	S	S	*	*	H	α-helix	trans	-66.3	-29.3	176.4	-65.4	-167.5	163.4	0	0	112.7	N68	N68-E70 PolarHBondContact O-N 2.91Å; N68-E70 VanDerWaalsContact O-N 3.13Å
71	S	43.3	Very low	42.4	Very low	85 Å²	85	124.3 Å²	124.3	59%	0.594	63%	0.632	S	S	*	*	H	α-helix	trans	-73.4	-35.5	-178.2	174.5	0	0	0	0	113.6	N68 W69 P75	N68-S71 PolarHBondContact O-N 3.49Å; W69-S71 VanDerWaalsContact C-N 3.3Å; W69-S71 PolarHBondContact O-N 3.34Å; S71-P75 VanDerWaalsContact O-CD 3.25Å; S71-P75 WeakPolarHBondContact O-CD 3.21Å
72	I	44.2	Very low	44.4	Very low	106 Å²	106	125.4 Å²	125.4	54%	0.544	63%	0.626	S	S	.	*	H	α-helix	trans	-94.9	-28.3	-174.4	-56.9	174.6	0	0	0	111.9	P75 I76	I72-P75 WeakPolarHBondContact O-CD 3.38Å; I72-I76 HydrophobicContact CG2-CD1 4.33Å
73	S	46	Very low	46.1	Very low	49 Å²	49	125.1 Å²	125.1	34%	0.343	62%	0.618	S	S	.	*	H	α-helix	trans	-74.1	-31	179.2	58.7	0	0	0	0	113.2	W69 I76 C77	W69-S73 WeakPolarHBondContact O-CB 3.44Å; W69-S73 PolarHBondContact O-N 3.33Å; W69-S73 PolarHBondContact O-OG 2.91Å; S73-I76 PolarHBondContact O-N 3.38Å; S73-C77 WeakPolarHBondContact O-CB 3.47Å; S73-C77 PolarHBondContact O-N 3.5Å
74	Q	50	Low	47.8	Very low	131 Å²	131	120 Å²	120	61%	0.612	60%	0.596	S	S	*	*	H	α-helix	trans	-60.7	-49.3	179.9	-92.1	-171.4	-13.2	0	0	113.9	I76 C77 Q78	Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-I76 PolarHBondContact O-N 2.95Å; Q74-C77 PolarHBondContact O-N 3.3Å; Q74-Q78 WeakPolarHBondContact O-CB 3.42Å; Q74-Q78 WeakPolarHBondContact O-CG 3.31Å; Q74-Q78 PolarHBondContact O-N 3.36Å
75	P	50.8	Low	49.6	Very low	62 Å²	62	113.6 Å²	113.6	40%	0.403	58%	0.575	S	S	.	*	H	α-helix	trans	-61.2	-41.2	177.4	-23.2	31.2	0	0	0	112.8	S71 I72 Q78 I79	S71-P75 VanDerWaalsContact O-CD 3.25Å; S71-P75 WeakPolarHBondContact O-CD 3.21Å; I72-P75 WeakPolarHBondContact O-CD 3.38Å; P75-Q78 PolarHBondContact O-N 3.28Å; P75-I79 VanDerWaalsContact O-CG1 3.25Å; P75-I79 WeakPolarHBondContact O-CG1 3.26Å; P75-I79 PolarHBondContact O-N 2.9Å
76	I	56.4	Low	50.9	Low	103 Å²	103	112.4 Å²	112.4	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-67.6	-44.4	-178.7	-61.4	174.3	0	0	0	110.3	I72 S73 Q74 Q78 I79 V80	I72-I76 HydrophobicContact CG2-CD1 4.33Å; S73-I76 PolarHBondContact O-N 3.38Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-I76 PolarHBondContact O-N 2.95Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-I79 PolarHBondContact O-N 3.43Å; I76-V80 VanDerWaalsContact O-CG2 3.31Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 2.89Å
77	C	55.9	Low	52.2	Low	85 Å²	85	110.2 Å²	110.2	57%	0.574	56%	0.556	S	S	*	*	H	α-helix	trans	-62.3	-41	173.8	-87.3	0	0	0	0	112	S73 Q74 V80 H81	S73-C77 WeakPolarHBondContact O-CB 3.47Å; S73-C77 PolarHBondContact O-N 3.5Å; Q74-C77 PolarHBondContact O-N 3.3Å; C77-V80 PolarHBondContact O-N 2.85Å; C77-H81 VanDerWaalsContact O-CB 3.26Å; C77-H81 WeakPolarHBondContact O-CB 3.5Å; C77-H81 PolarHBondContact O-N 2.93Å
78	Q	63.1	Low	53	Low	136 Å²	136	109.7 Å²	109.7	64%	0.636	56%	0.563	S	S	*	*	H	α-helix	trans	-64	-40.4	176.1	-77.7	-177.4	-7.4	0	0	112.4	Q74 P75 I76 H81 Y82	Q74-Q78 WeakPolarHBondContact O-CB 3.42Å; Q74-Q78 WeakPolarHBondContact O-CG 3.31Å; Q74-Q78 PolarHBondContact O-N 3.36Å; P75-Q78 PolarHBondContact O-N 3.28Å; I76-Q78 PolarHBondContact O-N 2.88Å; Q78-H81 PolarHBondContact O-N 3.49Å; Q78-Y82 VanDerWaalsContact O-CB 3.22Å; Q78-Y82 WeakPolarHBondContact O-CB 3.38Å; Q78-Y82 PolarHBondContact O-N 3.4Å
79	I	65.5	Low	53.9	Low	102 Å²	102	110.9 Å²	110.9	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-45.9	176	-69.5	164.8	0	0	0	110.4	P75 I76 H81 Y82 L83	P75-I79 VanDerWaalsContact O-CG1 3.25Å; P75-I79 WeakPolarHBondContact O-CG1 3.26Å; P75-I79 PolarHBondContact O-N 2.9Å; I76-I79 PolarHBondContact O-N 3.43Å; I79-H81 PolarHBondContact O-N 3.42Å; I79-Y82 PolarHBondContact O-N 2.79Å; I79-L83 HydrophobicContact CG2-CD1 3.81Å; I79-L83 HydrophobicContact CG2-CG 4.4Å; I79-L83 WeakPolarHBondContact O-CB 3.44Å; I79-L83 WeakPolarHBondContact O-CG 3.33Å; I79-L83 PolarHBondContact O-N 3.44Å
80	V	66.7	Low	54.3	Low	90 Å²	90	106 Å²	106	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-42.1	177.8	172.9	0	0	0	0	111.1	I76 C77 L83 S84	I76-V80 VanDerWaalsContact O-CG2 3.31Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 2.89Å; C77-V80 PolarHBondContact O-N 2.85Å; V80-L83 PolarHBondContact O-N 2.85Å; V80-S84 WeakPolarHBondContact O-CB 3.41Å; V80-S84 PolarHBondContact O-N 3.38Å; V80-S84 PolarHBondContact O-OG 2.94Å
81	H	64.3	Low	54.5	Low	141 Å²	141	106.6 Å²	106.6	65%	0.653	57%	0.567	S	S	*	*	H	α-helix	trans	-70.9	-34.2	179.5	-145.7	-68.8	0	0	0	112.6	C77 Q78 I79 S84 S85	C77-H81 VanDerWaalsContact O-CB 3.26Å; C77-H81 WeakPolarHBondContact O-CB 3.5Å; C77-H81 PolarHBondContact O-N 2.93Å; Q78-H81 PolarHBondContact O-N 3.49Å; I79-H81 PolarHBondContact O-N 3.42Å; H81-S84 WeakPolarHBondContact CA-OG 3.47Å; H81-S84 PolarHBondContact O-OG 2.77Å; H81-S85 WeakPolarHBondContact O-CB 3.25Å; H81-S85 PolarHBondContact O-N 3.25Å; H81-S85 PolarHBondContact O-OG 3.13Å
82	Y	66	Low	54.6	Low	129 Å²	129	108.3 Å²	108.3	51%	0.506	57%	0.569	S	S	.	*	H	α-helix	trans	-66.5	-46.2	172.5	176.8	-106.3	0	0	0	111.1	Q78 I79 S85 K86	Q78-Y82 VanDerWaalsContact O-CB 3.22Å; Q78-Y82 WeakPolarHBondContact O-CB 3.38Å; Q78-Y82 PolarHBondContact O-N 3.4Å; I79-Y82 PolarHBondContact O-N 2.79Å; Y82-S85 PolarHBondContact O-N 3.42Å; Y82-S85 PolarHBondContact O-OG 3.24Å; Y82-K86 HydrophobicContact CE1-CD 4.08Å; Y82-K86 HydrophobicContact CE2-CD 4.36Å; Y82-K86 PolarHBondContact O-N 3.35Å; Y82-K86 WeakPolarHBondContact OH-CE 3.39Å; Y82-K86 PolarHBondContact OH-NZ 2.84Å
83	L	59.3	Low	54.6	Low	94 Å²	94	113 Å²	113	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-63.8	-42.1	177.2	-70.7	171.4	0	0	0	111.7	I79 V80 K86 I87	I79-L83 HydrophobicContact CG2-CD1 3.81Å; I79-L83 HydrophobicContact CG2-CG 4.4Å; I79-L83 WeakPolarHBondContact O-CB 3.44Å; I79-L83 WeakPolarHBondContact O-CG 3.33Å; I79-L83 PolarHBondContact O-N 3.44Å; V80-L83 PolarHBondContact O-N 2.85Å; L83-K86 PolarHBondContact O-N 2.83Å; L83-I87 WeakPolarHBondContact O-CD1 3.31Å; L83-I87 VanDerWaalsContact O-CG1 3.23Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 3.4Å; L83-I87 VanDerWaalsContact O-N 3.1Å
84	S	62.2	Low	54.8	Low	59 Å²	59	116.5 Å²	116.5	41%	0.413	60%	0.6	S	S	.	*	H	α-helix	trans	-65.4	-40.9	177	70	0	0	0	0	112.1	V80 H81 K86 I87 M88	V80-S84 WeakPolarHBondContact O-CB 3.41Å; V80-S84 PolarHBondContact O-N 3.38Å; V80-S84 PolarHBondContact O-OG 2.94Å; H81-S84 WeakPolarHBondContact CA-OG 3.47Å; H81-S84 PolarHBondContact O-OG 2.77Å; S84-K86 PolarHBondContact O-N 2.75Å; S84-I87 PolarHBondContact O-N 3.47Å; S84-M88 PolarHBondContact O-N 3.35Å
85	S	61.1	Low	54.7	Low	52 Å²	52	114 Å²	114	36%	0.364	60%	0.595	S	S	.	*	H	α-helix	trans	-64.9	-37.8	177.2	77.8	0	0	0	0	112.8	H81 Y82 M88 I89	H81-S85 WeakPolarHBondContact O-CB 3.25Å; H81-S85 PolarHBondContact O-N 3.25Å; H81-S85 PolarHBondContact O-OG 3.13Å; Y82-S85 PolarHBondContact O-N 3.42Å; Y82-S85 PolarHBondContact O-OG 3.24Å; S85-M88 PolarHBondContact O-N 3.43Å; S85-I89 PolarHBondContact O-N 2.86Å
86	K	53.2	Low	54.8	Low	118 Å²	118	117.7 Å²	117.7	51%	0.513	61%	0.61	S	S	.	*	H	α-helix	trans	-71.9	-31.4	177.8	-91.7	-164.1	168.2	-176.7	0	113.4	Y82 L83 S84 M88 T90	Y82-K86 HydrophobicContact CE1-CD 4.08Å; Y82-K86 HydrophobicContact CE2-CD 4.36Å; Y82-K86 PolarHBondContact O-N 3.35Å; Y82-K86 WeakPolarHBondContact OH-CE 3.39Å; Y82-K86 PolarHBondContact OH-NZ 2.84Å; L83-K86 PolarHBondContact O-N 2.83Å; S84-K86 PolarHBondContact O-N 2.75Å; K86-M88 VanDerWaalsContact C-N 3.31Å; K86-T90 PolarHBondContact O-OG1 3.35Å
87	I	53.4	Low	54.7	Low	132 Å²	132	119.6 Å²	119.6	68%	0.677	62%	0.62	S	S	*	*	H	α-helix	trans	-71.6	-29.1	175.7	-68.5	165.8	0	0	0	110.8	L83 S84	L83-I87 WeakPolarHBondContact O-CD1 3.31Å; L83-I87 VanDerWaalsContact O-CG1 3.23Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 3.4Å; L83-I87 VanDerWaalsContact O-N 3.1Å; S84-I87 PolarHBondContact O-N 3.47Å
88	M	49.2	Very low	54.6	Low	173 Å²	173	123 Å²	123	85%	0.852	63%	0.625	S	S	*	*	H	α-helix	trans	-83	-23.1	-176.2	-139.6	-175.8	174.4	0	0	114.7	S84 S85 K86	S84-M88 PolarHBondContact O-N 3.35Å; S85-M88 PolarHBondContact O-N 3.43Å; K86-M88 VanDerWaalsContact C-N 3.31Å
89	I	48.2	Very low	54.2	Low	143 Å²	143	122.7 Å²	122.7	73%	0.733	63%	0.627	S	S	*	*	H	α-helix	trans	-93.1	-18.3	-174.2	-64.5	176.1	0	0	0	113.3	S85 N91	S85-I89 PolarHBondContact O-N 2.86Å; I89-N91 PolarHBondContact O-N 2.83Å; I89-N91 VanDerWaalsContact O-N 3.11Å
90	T	45.2	Very low	53.9	Low	89 Å²	89	123.4 Å²	123.4	55%	0.546	63%	0.631	S	S	.	*			trans	-85.4	93	175	44.2	0	0	0	0	110.7	K86 L92	K86-T90 PolarHBondContact O-OG1 3.35Å; T90-L92 HydrophobicContact CG2-CD1 4.09Å; T90-L92 PolarHBondContact O-N 2.81Å
91	N	41.4	Very low	53.9	Low	160 Å²	160	127.4 Å²	127.4	86%	0.856	64%	0.641	S	S	*	*			trans	-61.8	44.1	160.4	-98	-31.6	0	0	0	112.1	I89 K93	I89-N91 PolarHBondContact O-N 2.83Å; I89-N91 VanDerWaalsContact O-N 3.11Å; N91-K93 VanDerWaalsContact C-N 3.34Å; N91-K93 PolarHBondContact O-N 3.45Å
92	L	45.2	Very low	54.4	Low	121 Å²	121	127.6 Å²	127.6	63%	0.634	64%	0.637	S	S	*	*			trans	-73.2	96.1	165.7	-95.7	93.3	0	0	0	107.3	T90 L94	T90-L92 HydrophobicContact CG2-CD1 4.09Å; T90-L92 PolarHBondContact O-N 2.81Å; L92-L94 HydrophobicContact CB-CD1 4.48Å; L92-L94 HydrophobicContact CD2-CD1 3.58Å; L92-L94 PolarHBondContact O-N 3.22Å
93	K	43.7	Very low	55	Low	203 Å²	203	129.2 Å²	129.2	88%	0.883	64%	0.642	S	S	*	*			trans	-62.5	64.4	156.7	-68.8	-177.5	176.5	179.5	0	109.5	N91	N91-K93 VanDerWaalsContact C-N 3.34Å; N91-K93 PolarHBondContact O-N 3.45Å
94	L	49.9	Very low	56	Low	124 Å²	124	132.8 Å²	132.8	65%	0.649	65%	0.654	S	S	*	*			trans	-80.8	139.5	156.1	-111.6	93.2	0	0	0	107.1	L92 L96	L92-L94 HydrophobicContact CB-CD1 4.48Å; L92-L94 HydrophobicContact CD2-CD1 3.58Å; L92-L94 PolarHBondContact O-N 3.22Å; L94-L96 PolarHBondContact O-N 3.39Å
95	P	49.1	Very low	57	Low	79 Å²	79	137 Å²	137	51%	0.513	67%	0.665	S	S	.	*			trans	-64.3	108.2	-174	26.4	-31.3	0	0	0	108.6	I97 K98	P95-I97 PolarHBondContact O-N 3.3Å; P95-K98 PolarHBondContact O-N 2.82Å
96	L	52	Low	58.2	Low	139 Å²	139	137.9 Å²	137.9	73%	0.728	67%	0.665	S	S	*	*	H	α-helix	trans	-47.7	-23.9	179.9	-134.6	80.4	0	0	0	112.6	L94 K98 L99 I100	L94-L96 PolarHBondContact O-N 3.39Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.82Å; L96-L99 PolarHBondContact O-N 3.5Å; L96-I100 WeakPolarHBondContact O-CG1 3.37Å; L96-I100 PolarHBondContact O-N 2.87Å
97	I	53.7	Low	59.7	Low	142 Å²	142	137.8 Å²	137.8	73%	0.728	66%	0.664	S	S	*	*	H	α-helix	trans	-66.2	-28.5	-179.5	-58.5	172.5	0	0	0	112.9	P95	P95-I97 PolarHBondContact O-N 3.3Å
98	K	53.8	Low	61.4	Low	158 Å²	158	136.5 Å²	136.5	69%	0.687	66%	0.658	S	S	*	*	H	α-helix	trans	-80.7	-26.9	177.7	-79.3	-172.3	178.3	-179.6	0	113.5	P95 L96 Y102	P95-K98 PolarHBondContact O-N 2.82Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.82Å; K98-Y102 WeakPolarHBondContact O-CD2 3.38Å
99	L	54.8	Low	63.4	Low	129 Å²	129	133.1 Å²	133.1	68%	0.675	64%	0.643	S	S	*	*	H	α-helix	trans	-79.1	-32.9	-179.1	-148.2	79.9	0	0	0	112.2	L96 K101 Y102 W103	L96-L99 PolarHBondContact O-N 3.5Å; L99-K101 PolarHBondContact O-N 2.81Å; L99-Y102 PolarHBondContact O-N 2.85Å; L99-W103 PolarHBondContact O-N 2.91Å
100	I	59.6	Low	65.5	Low	116 Å²	116	130.9 Å²	130.9	60%	0.595	63%	0.631	S	S	*	*	H	α-helix	trans	-56.4	-33.9	175.7	-67.9	166.5	0	0	0	111.6	L96 Y102 W103	L96-I100 WeakPolarHBondContact O-CG1 3.37Å; L96-I100 PolarHBondContact O-N 2.87Å; I100-Y102 PolarHBondContact O-N 3.19Å; I100-W103 PolarHBondContact O-N 2.81Å
101	K	67.6	Low	67.7	Low	174 Å²	174	128 Å²	128	76%	0.757	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-28	178.7	-114.5	-175.3	179.7	-176.9	0	113.6	L99	L99-K101 PolarHBondContact O-N 2.81Å
102	Y	74.3	Confident	70.1	Confident	145 Å²	145	125.5 Å²	125.5	57%	0.569	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-6.2	-178.2	-63.7	-79.8	0	0	0	113.5	K98 L99 I100 K104 F105 I106	K98-Y102 WeakPolarHBondContact O-CD2 3.38Å; L99-Y102 PolarHBondContact O-N 2.85Å; I100-Y102 PolarHBondContact O-N 3.19Å; Y102-K104 PolarHBondContact O-N 3.44Å; Y102-F105 WeakPolarHBondContact O-CA 3.34Å; Y102-F105 WeakPolarHBondContact O-CB 3.33Å; Y102-F105 PolarHBondContact O-N 2.93Å; Y102-I106 WeakPolarHBondContact O-CG1 3.46Å; Y102-I106 PolarHBondContact O-N 3.48Å
103	W	77.4	Confident	72.4	Confident	164 Å²	164	124.6 Å²	124.6	62%	0.621	60%	0.6	S	S	*	*	H	α-helix	trans	-61.3	-33.1	-175.5	-149.9	46.5	0	0	0	112.4	L99 I100 I106 F107	L99-W103 PolarHBondContact O-N 2.91Å; I100-W103 PolarHBondContact O-N 2.81Å; W103-I106 PolarHBondContact O-N 2.85Å; W103-F107 HydrophobicContact CD2-CD2 4.07Å; W103-F107 AromaticContact CD2-CE2 3.78Å; W103-F107 HydrophobicContact CD2-CE2 3.78Å; W103-F107 AromaticContact CE2-CE2 3.56Å; W103-F107 HydrophobicContact CE3-CD2 4.35Å; W103-F107 AromaticContact CE3-CE2 3.95Å; W103-F107 HydrophobicContact CE3-CE2 3.95Å; W103-F107 HydrophobicContact CG-CD2 4.39Å; W103-F107 HydrophobicContact CG-CE2 4.49Å; W103-F107 AromaticContact CH2-CE2 3.77Å; W103-F107 HydrophobicContact CH2-CE2 3.77Å; W103-F107 HydrophobicContact CH2-CZ 4.35Å; W103-F107 AromaticContact CZ2-CE2 3.58Å; W103-F107 HydrophobicContact CZ2-CE2 3.58Å; W103-F107 HydrophobicContact CZ2-CZ 4.24Å; W103-F107 AromaticContact CZ3-CE2 3.95Å; W103-F107 HydrophobicContact CZ3-CE2 3.95Å; W103-F107 WeakPolarHBondContact O-CD2 3.48Å; W103-F107 PolarHBondContact O-N 3.46Å
104	K	80.4	Confident	74.7	Confident	169 Å²	169	121 Å²	121	74%	0.735	59%	0.585	S	S	*	*	H	α-helix	trans	-60.8	-44	171.1	-69.2	-174.5	176.9	-176.3	0	112.7	Y102 F107 I108	Y102-K104 PolarHBondContact O-N 3.44Å; K104-F107 PolarHBondContact O-N 3.42Å; K104-I108 WeakPolarHBondContact O-CD1 3.43Å; K104-I108 VanDerWaalsContact O-CG1 3.31Å; K104-I108 WeakPolarHBondContact O-CG1 3.27Å; K104-I108 PolarHBondContact O-N 3.38Å; K104-I108 VanDerWaalsContact O-N 3.08Å
105	F	84.7	Confident	76.5	Confident	148 Å²	148	120 Å²	120	65%	0.649	58%	0.58	S	S	*	*	H	α-helix	trans	-67.4	-39	176.9	-78.6	-81.9	0	0	0	111.8	Y102 I108 L109	Y102-F105 WeakPolarHBondContact O-CA 3.34Å; Y102-F105 WeakPolarHBondContact O-CB 3.33Å; Y102-F105 PolarHBondContact O-N 2.93Å; F105-I108 PolarHBondContact O-N 3.33Å; F105-L109 WeakPolarHBondContact O-CB 3.25Å; F105-L109 PolarHBondContact O-N 2.74Å
106	I	84.8	Confident	78.4	Confident	70 Å²	70	120.5 Å²	120.5	36%	0.359	58%	0.578	S	S	.	*	H	α-helix	trans	-62.9	-44.1	176.3	-66.4	168.3	0	0	0	110.5	Y102 W103 I108 L109 I110	Y102-I106 WeakPolarHBondContact O-CG1 3.46Å; Y102-I106 PolarHBondContact O-N 3.48Å; W103-I106 PolarHBondContact O-N 2.85Å; I106-I108 PolarHBondContact O-N 2.87Å; I106-L109 PolarHBondContact O-N 2.83Å; I106-I110 HydrophobicContact CG2-CD1 3.71Å; I106-I110 HydrophobicContact CG2-CG1 4.35Å; I106-I110 WeakPolarHBondContact O-CB 3.18Å; I106-I110 VanDerWaalsContact O-CG1 3.28Å; I106-I110 WeakPolarHBondContact O-CG1 3.26Å; I106-I110 PolarHBondContact O-N 2.87Å
107	F	86.1	Confident	79.9	Confident	115 Å²	115	120.8 Å²	120.8	50%	0.504	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-41	175.8	-99.3	-77.8	0	0	0	113	W103 K104 L109 I110 G111	W103-F107 HydrophobicContact CD2-CD2 4.07Å; W103-F107 AromaticContact CD2-CE2 3.78Å; W103-F107 HydrophobicContact CD2-CE2 3.78Å; W103-F107 AromaticContact CE2-CE2 3.56Å; W103-F107 HydrophobicContact CE3-CD2 4.35Å; W103-F107 AromaticContact CE3-CE2 3.95Å; W103-F107 HydrophobicContact CE3-CE2 3.95Å; W103-F107 HydrophobicContact CG-CD2 4.39Å; W103-F107 HydrophobicContact CG-CE2 4.49Å; W103-F107 AromaticContact CH2-CE2 3.77Å; W103-F107 HydrophobicContact CH2-CE2 3.77Å; W103-F107 HydrophobicContact CH2-CZ 4.35Å; W103-F107 AromaticContact CZ2-CE2 3.58Å; W103-F107 HydrophobicContact CZ2-CE2 3.58Å; W103-F107 HydrophobicContact CZ2-CZ 4.24Å; W103-F107 AromaticContact CZ3-CE2 3.95Å; W103-F107 HydrophobicContact CZ3-CE2 3.95Å; W103-F107 WeakPolarHBondContact O-CD2 3.48Å; W103-F107 PolarHBondContact O-N 3.46Å; K104-F107 PolarHBondContact O-N 3.42Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-I110 PolarHBondContact O-N 3.14Å; F107-G111 PolarHBondContact O-N 3.28Å
108	I	87.9	Confident	81.2	Confident	105 Å²	105	117.4 Å²	117.4	54%	0.538	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-43.7	175.3	-68.4	162.9	0	0	0	110.4	K104 F105 I106 G111 L112	K104-I108 WeakPolarHBondContact O-CD1 3.43Å; K104-I108 VanDerWaalsContact O-CG1 3.31Å; K104-I108 WeakPolarHBondContact O-CG1 3.27Å; K104-I108 PolarHBondContact O-N 3.38Å; K104-I108 VanDerWaalsContact O-N 3.08Å; F105-I108 PolarHBondContact O-N 3.33Å; I106-I108 PolarHBondContact O-N 2.87Å; I108-G111 PolarHBondContact O-N 3.17Å; I108-L112 HydrophobicContact CG2-CD1 4.05Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.12Å
109	L	90.9	Very high	82.3	Confident	102 Å²	102	116.6 Å²	116.6	53%	0.534	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-43.1	179.1	-171.7	68.6	0	0	0	112	F105 I106 F107 G111 L112 L113	F105-L109 WeakPolarHBondContact O-CB 3.25Å; F105-L109 PolarHBondContact O-N 2.74Å; I106-L109 PolarHBondContact O-N 2.83Å; F107-L109 VanDerWaalsContact C-N 3.35Å; L109-G111 VanDerWaalsContact C-N 3.32Å; L109-G111 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 3.34Å; L109-L113 HydrophobicContact CG-CD1 4.27Å; L109-L113 WeakPolarHBondContact O-CB 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.43Å
110	I	92.1	Very high	83.3	Confident	97 Å²	97	114.2 Å²	114.2	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-61.8	-42.7	174.3	-69.7	169.1	0	0	0	110.2	I106 F107 L113 F114	I106-I110 HydrophobicContact CG2-CD1 3.71Å; I106-I110 HydrophobicContact CG2-CG1 4.35Å; I106-I110 WeakPolarHBondContact O-CB 3.18Å; I106-I110 VanDerWaalsContact O-CG1 3.28Å; I106-I110 WeakPolarHBondContact O-CG1 3.26Å; I106-I110 PolarHBondContact O-N 2.87Å; F107-I110 PolarHBondContact O-N 3.14Å; I110-L113 PolarHBondContact O-N 3.49Å; I110-F114 WeakPolarHBondContact O-CB 3.12Å; I110-F114 PolarHBondContact O-N 3.46Å
111	G	91.9	Very high	83.9	Confident	28 Å²	28	113.8 Å²	113.8	29%	0.289	53%	0.526	S	S	.	.	H	α-helix	trans	-60.1	-44.1	174.7	0	0	0	0	0	112.5	F107 I108 L109 F114 N115	F107-G111 PolarHBondContact O-N 3.28Å; I108-G111 PolarHBondContact O-N 3.17Å; L109-G111 VanDerWaalsContact C-N 3.32Å; L109-G111 PolarHBondContact O-N 3.48Å; G111-F114 PolarHBondContact O-N 2.76Å; G111-N115 WeakPolarHBondContact O-CB 3.5Å; G111-N115 PolarHBondContact O-N 2.74Å; G111-N115 PolarHBondContact O-ND2 2.76Å
112	L	93.1	Very high	84	Confident	108 Å²	108	109.3 Å²	109.3	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-43.3	176.1	-75.6	167.6	0	0	0	112.2	I108 L109 N115 L116	I108-L112 HydrophobicContact CG2-CD1 4.05Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.12Å; L109-L112 PolarHBondContact O-N 3.34Å; L112-N115 PolarHBondContact O-N 2.78Å; L112-L116 WeakPolarHBondContact O-CB 3.2Å; L112-L116 PolarHBondContact O-N 3.09Å
113	L	92.2	Very high	83.4	Confident	102 Å²	102	105.6 Å²	105.6	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-38.2	176.7	-73.9	169.4	0	0	0	112	L109 I110 L116 Y117	L109-L113 HydrophobicContact CG-CD1 4.27Å; L109-L113 WeakPolarHBondContact O-CB 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.43Å; I110-L113 PolarHBondContact O-N 3.49Å; L113-L116 PolarHBondContact O-N 2.99Å; L113-Y117 WeakPolarHBondContact O-CB 3.36Å; L113-Y117 PolarHBondContact O-N 3.15Å
114	F	92.2	Very high	82.6	Confident	127 Å²	127	101.7 Å²	101.7	56%	0.557	49%	0.49	S	S	*	.	H	α-helix	trans	-66.7	-42.6	175	-176.6	-99	0	0	0	111.7	I110 G111 Y117 L118	I110-F114 WeakPolarHBondContact O-CB 3.12Å; I110-F114 PolarHBondContact O-N 3.46Å; G111-F114 PolarHBondContact O-N 2.76Å; F114-Y117 PolarHBondContact O-N 3.45Å; F114-L118 WeakPolarHBondContact O-CB 3.44Å; F114-L118 PolarHBondContact O-N 3.23Å
115	N	88	Confident	81.2	Confident	102 Å²	102	98.5 Å²	98.5	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-39.2	174.6	-79.5	-73.3	0	0	0	111.9	G111 L112 L118 Y119	G111-N115 WeakPolarHBondContact O-CB 3.5Å; G111-N115 PolarHBondContact O-N 2.74Å; G111-N115 PolarHBondContact O-ND2 2.76Å; L112-N115 PolarHBondContact O-N 2.78Å; N115-L118 PolarHBondContact O-N 3.5Å; N115-Y119 VanDerWaalsContact O-CB 3.27Å; N115-Y119 WeakPolarHBondContact O-CB 3.18Å; N115-Y119 PolarHBondContact O-N 3.46Å
116	L	88.2	Confident	79.3	Confident	90 Å²	90	97.5 Å²	97.5	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-63.9	-43.2	174	-178.6	65.2	0	0	0	111.3	L112 L113 Y119 I120	L112-L116 WeakPolarHBondContact O-CB 3.2Å; L112-L116 PolarHBondContact O-N 3.09Å; L113-L116 PolarHBondContact O-N 2.99Å; L116-Y119 PolarHBondContact O-N 2.76Å; L116-I120 HydrophobicContact CD1-CD1 4.17Å; L116-I120 HydrophobicContact CD1-CG1 4.43Å; L116-I120 HydrophobicContact CG-CD1 3.96Å; L116-I120 WeakPolarHBondContact O-CB 3.29Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.39Å; L116-I120 PolarHBondContact O-N 2.9Å
117	Y	84.4	Confident	76.9	Confident	145 Å²	145	99.6 Å²	99.6	57%	0.569	49%	0.486	S	S	*	.	H	α-helix	trans	-61.5	-44.8	173.8	172.8	-96	0	0	0	111.5	L113 F114 Y119 I120 Y121	L113-Y117 WeakPolarHBondContact O-CB 3.36Å; L113-Y117 PolarHBondContact O-N 3.15Å; F114-Y117 PolarHBondContact O-N 3.45Å; Y117-Y119 VanDerWaalsContact C-N 3.32Å; Y117-Y119 PolarHBondContact O-N 3.25Å; Y117-I120 PolarHBondContact O-N 3.3Å; Y117-Y121 WeakPolarHBondContact O-CB 3.43Å; Y117-Y121 PolarHBondContact O-N 3.04Å
118	L	81.1	Confident	74.3	Confident	71 Å²	71	100.1 Å²	100.1	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-38.7	177.8	-161.6	76.5	0	0	0	111.2	F114 N115 Y121 I122	F114-L118 WeakPolarHBondContact O-CB 3.44Å; F114-L118 PolarHBondContact O-N 3.23Å; N115-L118 PolarHBondContact O-N 3.5Å; L118-Y121 PolarHBondContact O-N 2.92Å; L118-I122 HydrophobicContact CG-CD1 4.19Å; L118-I122 WeakPolarHBondContact O-CB 3.48Å; L118-I122 WeakPolarHBondContact O-CD1 3.18Å; L118-I122 WeakPolarHBondContact O-CG1 3.34Å; L118-I122 PolarHBondContact O-N 3.4Å
119	Y	77.1	Confident	71.8	Confident	141 Å²	141	100.9 Å²	100.9	55%	0.553	49%	0.493	S	S	*	.	H	α-helix	trans	-65.4	-47.7	175.3	-178.1	-107.8	0	0	0	111.9	N115 L116 Y117 Y121 I122 L123	N115-Y119 VanDerWaalsContact O-CB 3.27Å; N115-Y119 WeakPolarHBondContact O-CB 3.18Å; N115-Y119 PolarHBondContact O-N 3.46Å; L116-Y119 PolarHBondContact O-N 2.76Å; Y117-Y119 VanDerWaalsContact C-N 3.32Å; Y117-Y119 PolarHBondContact O-N 3.25Å; Y119-Y121 VanDerWaalsContact C-N 3.3Å; Y119-Y121 PolarHBondContact O-N 3.38Å; Y119-I122 PolarHBondContact O-N 2.62Å; Y119-L123 HydrophobicContact CD1-CD1 3.77Å; Y119-L123 HydrophobicContact CD1-CG 4.5Å; Y119-L123 HydrophobicContact CE1-CD1 3.3Å; Y119-L123 HydrophobicContact CE1-CG 4.2Å; Y119-L123 HydrophobicContact CE2-CD1 4.31Å; Y119-L123 HydrophobicContact CE2-CG 4.39Å; Y119-L123 HydrophobicContact CG-CD1 4.46Å; Y119-L123 WeakPolarHBondContact O-CB 3.21Å; Y119-L123 WeakPolarHBondContact O-CG 3.18Å; Y119-L123 PolarHBondContact O-N 3.16Å
120	I	75.4	Confident	69.1	Low	79 Å²	79	99.5 Å²	99.5	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-39.1	173.9	-67.2	168.2	0	0	0	110.6	L116 Y117 L123 N124	L116-I120 HydrophobicContact CD1-CD1 4.17Å; L116-I120 HydrophobicContact CD1-CG1 4.43Å; L116-I120 HydrophobicContact CG-CD1 3.96Å; L116-I120 WeakPolarHBondContact O-CB 3.29Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.39Å; L116-I120 PolarHBondContact O-N 2.9Å; Y117-I120 PolarHBondContact O-N 3.3Å; I120-L123 PolarHBondContact O-N 3.23Å; I120-N124 VanDerWaalsContact O-CB 3.24Å; I120-N124 WeakPolarHBondContact O-CB 3.01Å; I120-N124 PolarHBondContact O-N 2.91Å
121	Y	72.8	Confident	66.6	Low	108 Å²	108	102.6 Å²	102.6	42%	0.424	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-43.6	176.4	176.8	-94.9	0	0	0	111.4	Y117 L118 Y119 K125	Y117-Y121 WeakPolarHBondContact O-CB 3.43Å; Y117-Y121 PolarHBondContact O-N 3.04Å; L118-Y121 PolarHBondContact O-N 2.92Å; Y119-Y121 VanDerWaalsContact C-N 3.3Å; Y119-Y121 PolarHBondContact O-N 3.38Å; Y121-K125 HydrophobicContact CE1-CD 3.96Å; Y121-K125 WeakPolarHBondContact O-CB 3.27Å; Y121-K125 PolarHBondContact O-N 2.89Å
122	I	68.9	Low	63.9	Low	79 Å²	79	109.4 Å²	109.4	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-49	175.6	-70.6	164.2	0	0	0	110.1	L118 Y119 N124 K125 E126	L118-I122 HydrophobicContact CG-CD1 4.19Å; L118-I122 WeakPolarHBondContact O-CB 3.48Å; L118-I122 WeakPolarHBondContact O-CD1 3.18Å; L118-I122 WeakPolarHBondContact O-CG1 3.34Å; L118-I122 PolarHBondContact O-N 3.4Å; Y119-I122 PolarHBondContact O-N 2.62Å; I122-N124 PolarHBondContact O-N 2.74Å; I122-K125 PolarHBondContact O-N 3.21Å; I122-E126 HydrophobicContact CG2-CG 4.43Å; I122-E126 WeakPolarHBondContact O-CB 3.5Å; I122-E126 WeakPolarHBondContact O-CG 3.24Å; I122-E126 PolarHBondContact O-N 3Å
123	L	62.9	Low	61.7	Low	67 Å²	67	105.3 Å²	105.3	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-57.8	-47.8	176.7	-74.7	176.6	0	0	0	111.9	Y119 I120 K125 E126 D127	Y119-L123 HydrophobicContact CD1-CD1 3.77Å; Y119-L123 HydrophobicContact CD1-CG 4.5Å; Y119-L123 HydrophobicContact CE1-CD1 3.3Å; Y119-L123 HydrophobicContact CE1-CG 4.2Å; Y119-L123 HydrophobicContact CE2-CD1 4.31Å; Y119-L123 HydrophobicContact CE2-CG 4.39Å; Y119-L123 HydrophobicContact CG-CD1 4.46Å; Y119-L123 WeakPolarHBondContact O-CB 3.21Å; Y119-L123 WeakPolarHBondContact O-CG 3.18Å; Y119-L123 PolarHBondContact O-N 3.16Å; I120-L123 PolarHBondContact O-N 3.23Å; L123-K125 PolarHBondContact O-N 3.15Å; L123-E126 PolarHBondContact O-N 3.48Å; L123-D127 PolarHBondContact O-N 2.91Å
124	N	58.8	Low	59.7	Low	82 Å²	82	105.2 Å²	105.2	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-37.2	177.7	-79.8	-7.9	0	0	0	111.7	I120 I122 E126 D127 H128	I120-N124 VanDerWaalsContact O-CB 3.24Å; I120-N124 WeakPolarHBondContact O-CB 3.01Å; I120-N124 PolarHBondContact O-N 2.91Å; I122-N124 PolarHBondContact O-N 2.74Å; N124-E126 VanDerWaalsContact C-N 3.35Å; N124-D127 PolarHBondContact O-N 3.32Å; N124-H128 VanDerWaalsContact O-CB 3.23Å; N124-H128 WeakPolarHBondContact O-CB 3.35Å; N124-H128 PolarHBondContact O-CD2 3.36Å; N124-H128 VanDerWaalsContact O-CG 3.25Å; N124-H128 PolarHBondContact O-N 3.32Å
125	K	52.5	Low	58.1	Low	103 Å²	103	100.8 Å²	100.8	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-68.2	-36.4	177.3	-161.1	-171.7	-172.8	-179.6	0	110.9	Y121 I122 L123 H128 I129	Y121-K125 HydrophobicContact CE1-CD 3.96Å; Y121-K125 WeakPolarHBondContact O-CB 3.27Å; Y121-K125 PolarHBondContact O-N 2.89Å; I122-K125 PolarHBondContact O-N 3.21Å; L123-K125 PolarHBondContact O-N 3.15Å; K125-H128 PolarHBondContact O-N 3.23Å; K125-I129 HydrophobicContact CD-CD1 4Å; K125-I129 HydrophobicContact CG-CD1 3.57Å; K125-I129 HydrophobicContact CG-CG1 4.1Å; K125-I129 VanDerWaalsContact O-CB 3.29Å; K125-I129 WeakPolarHBondContact O-CB 3.49Å; K125-I129 WeakPolarHBondContact O-CG1 3.4Å; K125-I129 PolarHBondContact O-N 2.7Å
126	E	44.1	Very low	56.8	Low	126 Å²	126	97.7 Å²	97.7	59%	0.589	47%	0.466	S	S	*	.	H	α-helix	trans	-67.5	-41.5	174	-76.3	179.8	170.8	0	0	112.1	I122 L123 N124 H128	I122-E126 HydrophobicContact CG2-CG 4.43Å; I122-E126 WeakPolarHBondContact O-CB 3.5Å; I122-E126 WeakPolarHBondContact O-CG 3.24Å; I122-E126 PolarHBondContact O-N 3Å; L123-E126 PolarHBondContact O-N 3.48Å; N124-E126 VanDerWaalsContact C-N 3.35Å; E126-H128 VanDerWaalsContact C-N 3.34Å
127	D	35.2	Very low	55.7	Low	114 Å²	114	96.2 Å²	96.2	61%	0.61	46%	0.458	S	S	*	.	H	α-helix	trans	-66.8	-34.5	172.4	-79.9	-26.3	0	0	0	111.9	L123 N124 Y131	L123-D127 PolarHBondContact O-N 2.91Å; N124-D127 PolarHBondContact O-N 3.32Å; D127-Y131 WeakPolarHBondContact O-CB 3.05Å; D127-Y131 PolarHBondContact O-N 3.06Å
128	H	30.5	Very low	55.1	Low	127 Å²	127	90.7 Å²	90.7	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-81.9	-31.5	-178.7	-75.6	-57.1	0	0	0	114.7	N124 K125 E126 V130	N124-H128 VanDerWaalsContact O-CB 3.23Å; N124-H128 WeakPolarHBondContact O-CB 3.35Å; N124-H128 PolarHBondContact O-CD2 3.36Å; N124-H128 VanDerWaalsContact O-CG 3.25Å; N124-H128 PolarHBondContact O-N 3.32Å; K125-H128 PolarHBondContact O-N 3.23Å; E126-H128 VanDerWaalsContact C-N 3.34Å; H128-V130 PolarHBondContact O-N 2.87Å
129	I	35.2	Very low	54.9	Low	120 Å²	120	89.3 Å²	89.3	62%	0.615	44%	0.435	S	S	*	.	H	α-helix	trans	-73.5	-22.2	-172.3	-77.2	176.3	0	0	0	113.8	K125	K125-I129 HydrophobicContact CD-CD1 4Å; K125-I129 HydrophobicContact CG-CD1 3.57Å; K125-I129 HydrophobicContact CG-CG1 4.1Å; K125-I129 VanDerWaalsContact O-CB 3.29Å; K125-I129 WeakPolarHBondContact O-CB 3.49Å; K125-I129 WeakPolarHBondContact O-CG1 3.4Å; K125-I129 PolarHBondContact O-N 2.7Å
130	V	35.3	Very low	54.6	Low	74 Å²	74	91.3 Å²	91.3	45%	0.448	45%	0.446	S	S	.	.	H	α-helix	trans	-116.9	-12.5	176.2	-174.8	0	0	0	0	112.3	H128	H128-V130 PolarHBondContact O-N 2.87Å
131	Y	38.2	Very low	54.2	Low	162 Å²	162	89.5 Å²	89.5	64%	0.635	44%	0.438	S	S	*	.	H	α-helix	trans	-114.8	17.5	-171.7	-133.1	-87.9	0	0	0	116.5	D127 S133	D127-Y131 WeakPolarHBondContact O-CB 3.05Å; D127-Y131 PolarHBondContact O-N 3.06Å; Y131-S133 WeakPolarHBondContact O-CB 3.47Å; Y131-S133 PolarHBondContact O-N 3Å
132	Q	36.2	Very low	54.7	Low	171 Å²	171	87.9 Å²	87.9	80%	0.799	44%	0.436	S	S	*	.	S	Bend	trans	-66.2	40.7	139.4	-91.9	-174.4	-14.9	0	0	111.1
133	S	47.8	Very low	55.5	Low	21 Å²	21	85 Å²	85	15%	0.147	42%	0.421	C	S	.	.			trans	34.6	98.5	136.6	173.8	0	0	0	0	112.3	Y131 S135 S136	Y131-S133 WeakPolarHBondContact O-CB 3.47Å; Y131-S133 PolarHBondContact O-N 3Å; S133-S135 PolarHBondContact O-N 3.49Å; S133-S135 VanDerWaalsContact OG-CA 3.32Å; S133-S135 WeakPolarHBondContact OG-CA 2.96Å; S133-S135 WeakPolarHBondContact OG-CB 3.35Å; S133-S135 PolarHBondContact OG-N 2.87Å; S133-S135 VanDerWaalsContact OG-N 3.15Å; S133-S135 PolarHBondContact OG-OG 2.78Å; S133-S136 WeakPolarHBondContact O-CA 3.43Å; S133-S136 VanDerWaalsContact O-CB 3.27Å; S133-S136 WeakPolarHBondContact O-CB 3.48Å; S133-S136 PolarHBondContact O-N 3.38Å; S133-S136 PolarHBondContact O-OG 3.27Å; S133-S136 PolarHBondContact OG-N 3.45Å
134	K	49.7	Very low	56.8	Low	101 Å²	101	81.8 Å²	81.8	44%	0.439	41%	0.405	S	S	.	.	H	α-helix	trans	-51.3	-22	159.8	-64.6	-178	171.9	-178.6	0	111.7	I137 L138 F182	K134-I137 PolarHBondContact O-N 3.11Å; K134-L138 PolarHBondContact O-N 3.36Å; K134-F182 HydrophobicContact CB-CD2 3.61Å; K134-F182 HydrophobicContact CB-CE2 3.33Å; K134-F182 HydrophobicContact CB-CZ 4.48Å; K134-F182 HydrophobicContact CD-CE2 4.21Å; K134-F182 HydrophobicContact CG-CE2 4.4Å; K134-F182 VanDerWaalsContact O-CD2 3.31Å; K134-F182 WeakPolarHBondContact O-CD2 3.26Å
135	S	57.8	Low	58.4	Low	34 Å²	34	79.7 Å²	79.7	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-64.9	-34.9	168.5	140.6	0	0	0	0	112.7	S133 I137 L138 C139 P286	S133-S135 PolarHBondContact O-N 3.49Å; S133-S135 VanDerWaalsContact OG-CA 3.32Å; S133-S135 WeakPolarHBondContact OG-CA 2.96Å; S133-S135 WeakPolarHBondContact OG-CB 3.35Å; S133-S135 PolarHBondContact OG-N 2.87Å; S133-S135 VanDerWaalsContact OG-N 3.15Å; S133-S135 PolarHBondContact OG-OG 2.78Å; S135-I137 VanDerWaalsContact C-N 3.31Å; S135-I137 PolarHBondContact O-N 2.88Å; S135-L138 WeakPolarHBondContact O-CB 3.27Å; S135-L138 PolarHBondContact O-N 2.88Å; S135-C139 WeakPolarHBondContact O-CB 3.32Å; S135-C139 PolarHBondContact O-N 3.39Å; S135-C139 PolarHBondContact O-SG 2.94Å; S135-P286 PolarHBondContact OG-O 2.99Å
136	S	61.3	Low	60.1	Low	36 Å²	36	79 Å²	79	25%	0.252	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-40.7	173.1	72.1	0	0	0	0	112	S133 L138 C139 F140	S133-S136 WeakPolarHBondContact O-CA 3.43Å; S133-S136 VanDerWaalsContact O-CB 3.27Å; S133-S136 WeakPolarHBondContact O-CB 3.48Å; S133-S136 PolarHBondContact O-N 3.38Å; S133-S136 PolarHBondContact O-OG 3.27Å; S133-S136 PolarHBondContact OG-N 3.45Å; S136-L138 PolarHBondContact O-N 3.22Å; S136-C139 PolarHBondContact O-N 2.88Å; S136-C139 VanDerWaalsContact O-N 3.16Å; S136-F140 WeakPolarHBondContact O-CB 3.27Å; S136-F140 WeakPolarHBondContact O-CD2 3.49Å; S136-F140 PolarHBondContact O-N 3.24Å
137	I	65.1	Low	62.4	Low	59 Å²	59	73.3 Å²	73.3	30%	0.303	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-50	174.6	-60.1	174.3	0	0	0	110	K134 S135 C139 N141 E180	K134-I137 PolarHBondContact O-N 3.11Å; S135-I137 VanDerWaalsContact C-N 3.31Å; S135-I137 PolarHBondContact O-N 2.88Å; I137-C139 VanDerWaalsContact C-N 3.27Å; I137-C139 PolarHBondContact O-N 3.44Å; I137-N141 HydrophobicContact CG2-CB 4.44Å; I137-N141 WeakPolarHBondContact O-CB 3.46Å; I137-N141 PolarHBondContact O-N 2.89Å; I137-E180 WeakPolarHBondContact CG2-O 3.36Å
138	L	71.8	Confident	65.1	Low	29 Å²	29	68.3 Å²	68.3	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-35.2	176.1	-78.7	165.1	0	0	0	113.4	K134 S135 S136 F182 V276 T279 P286 F411	K134-L138 PolarHBondContact O-N 3.36Å; S135-L138 WeakPolarHBondContact O-CB 3.27Å; S135-L138 PolarHBondContact O-N 2.88Å; S136-L138 PolarHBondContact O-N 3.22Å; L138-F182 HydrophobicContact CD1-CB 4.07Å; L138-F182 HydrophobicContact CD1-CD1 3.95Å; L138-F182 HydrophobicContact CD1-CD2 3.34Å; L138-F182 HydrophobicContact CD1-CE1 4.23Å; L138-F182 HydrophobicContact CD1-CE2 3.62Å; L138-F182 HydrophobicContact CD1-CG 3.51Å; L138-F182 HydrophobicContact CD1-CZ 4.09Å; L138-F182 HydrophobicContact CD2-CB 3.57Å; L138-F182 HydrophobicContact CD2-CD1 4.43Å; L138-F182 HydrophobicContact CD2-CD2 4.44Å; L138-F182 HydrophobicContact CD2-CG 3.92Å; L138-F182 HydrophobicContact CG-CB 3.58Å; L138-F182 HydrophobicContact CG-CD1 4.38Å; L138-F182 HydrophobicContact CG-CD2 3.62Å; L138-F182 HydrophobicContact CG-CE2 4.39Å; L138-F182 HydrophobicContact CG-CG 3.61Å; L138-V276 HydrophobicContact CD2-CG1 4.28Å; L138-T279 HydrophobicContact CD1-CG2 4.29Å; L138-T279 HydrophobicContact CD2-CG2 3.82Å; L138-P286 HydrophobicContact CD1-CG 4.32Å; L138-F411 HydrophobicContact CD1-CE1 4.48Å; L138-F411 HydrophobicContact CD1-CE2 4.03Å; L138-F411 HydrophobicContact CD1-CZ 3.53Å
139	C	76.9	Confident	68.1	Low	43 Å²	43	66 Å²	66	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-86.4	-26.6	-172.6	-62.4	0	0	0	0	114.6	S135 S136 I137 C287	S135-C139 WeakPolarHBondContact O-CB 3.32Å; S135-C139 PolarHBondContact O-N 3.39Å; S135-C139 PolarHBondContact O-SG 2.94Å; S136-C139 PolarHBondContact O-N 2.88Å; S136-C139 VanDerWaalsContact O-N 3.16Å; I137-C139 VanDerWaalsContact C-N 3.27Å; I137-C139 PolarHBondContact O-N 3.44Å; C139-C287 WeakPolarHBondContact CA-SG 3.11Å; C139-C287 HydrophobicContact CB-CB 3.73Å; C139-C287 WeakPolarHBondContact CB-SG 3.36Å; C139-C287 WeakPolarHBondContact SG-CA 3.36Å; C139-C287 WeakPolarHBondContact SG-CB 3.32Å; C139-C287 CovalentContact SG-SG 2.03Å; C139-C287 PolarHBondContact SG-SG 3.47Å
140	F	70.7	Confident	71	Confident	182 Å²	182	62.3 Å²	62.3	80%	0.798	32%	0.323	S	S	*	.	H	α-helix	trans	-104.9	-27.8	-178.6	-63.1	-64	0	0	0	112.9	S136	S136-F140 WeakPolarHBondContact O-CB 3.27Å; S136-F140 WeakPolarHBondContact O-CD2 3.49Å; S136-F140 PolarHBondContact O-N 3.24Å
141	N	67.7	Low	73.7	Confident	41 Å²	41	63.9 Å²	63.9	22%	0.219	33%	0.326	C	S	.	.			trans	-91.1	110.4	-176.6	-160.6	1.7	0	0	0	111.5	I137 I143 Q146 E180	I137-N141 HydrophobicContact CG2-CB 4.44Å; I137-N141 WeakPolarHBondContact O-CB 3.46Å; I137-N141 PolarHBondContact O-N 2.89Å; N141-I143 PolarHBondContact O-N 3.49Å; N141-Q146 PolarHBondContact OD1-NE2 2.7Å; N141-E180 PolarHBondContact ND2-O 2.87Å; N141-E180 VanDerWaalsContact ND2-O 3.16Å
142	D	82.8	Confident	76.3	Confident	75 Å²	75	60 Å²	60	40%	0.401	32%	0.322	S	S	.	.			trans	-84.4	56.9	173.1	-167.1	-5.8	0	0	0	110.7	F144 T145 Q146 R376	D142-F144 PolarHBondContact O-N 3.06Å; D142-T145 WeakPolarHBondContact O-CB 3.36Å; D142-T145 PolarHBondContact O-N 2.03Å; D142-T145 VanDerWaalsContact O-N 3.1Å; D142-T145 WeakPolarHBondContact OD1-CB 3.37Å; D142-T145 PolarHBondContact OD1-N 2.78Å; D142-T145 PolarHBondContact OD1-OG1 3.26Å; D142-T145 WeakPolarHBondContact OD2-CB 3.25Å; D142-T145 PolarHBondContact OD2-OG1 3.04Å; D142-Q146 PolarHBondContact O-N 3.16Å; D142-R376 IonicContact OD2-NH2 3.95Å
143	I	84.5	Confident	78.9	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-36.8	-174.6	-169.3	61	0	0	0	111.6	N141 T145 Q146 I147 E180 L181 V277	N141-I143 PolarHBondContact O-N 3.49Å; I143-T145 VanDerWaalsContact C-N 3.26Å; I143-T145 PolarHBondContact O-N 3.42Å; I143-Q146 WeakPolarHBondContact O-CB 3.24Å; I143-Q146 PolarHBondContact O-N 3.03Å; I143-Q146 VanDerWaalsContact O-N 3.12Å; I143-I147 HydrophobicContact CG1-CD1 3.95Å; I143-I147 HydrophobicContact CG1-CG1 4.35Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.45Å; I143-E180 HydrophobicContact CD1-CB 4.42Å; I143-L181 HydrophobicContact CG1-CD2 3.83Å; I143-L181 HydrophobicContact CG1-CG 4.35Å; I143-L181 HydrophobicContact CG2-CD2 4.17Å; I143-V277 WeakPolarHBondContact CG2-O 3.32Å
144	F	90.8	Very high	81	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-39.1	179.3	-162.5	-177.1	0	0	0	111.3	D142 I147 V148 V277 E278 I372 L375 R376 V387	D142-F144 PolarHBondContact O-N 3.06Å; F144-I147 PolarHBondContact O-N 2.94Å; F144-V148 HydrophobicContact CD2-CG1 4.03Å; F144-V148 HydrophobicContact CE2-CG1 3.94Å; F144-V148 WeakPolarHBondContact O-CG2 2.95Å; F144-V148 PolarHBondContact O-N 3.27Å; F144-V277 HydrophobicContact CB-CG1 3.87Å; F144-V277 HydrophobicContact CD1-CG1 4.2Å; F144-V277 HydrophobicContact CD2-CG1 3.51Å; F144-V277 HydrophobicContact CE2-CG1 4.02Å; F144-V277 HydrophobicContact CG-CG1 3.62Å; F144-E278 HydrophobicContact CD1-CB 3.72Å; F144-E278 HydrophobicContact CD1-CG 4.04Å; F144-E278 WeakPolarHBondContact CD1-OE2 3.22Å; F144-E278 HydrophobicContact CE1-CB 4.22Å; F144-I372 HydrophobicContact CE2-CD1 3.59Å; F144-I372 HydrophobicContact CE2-CG1 3.84Å; F144-I372 HydrophobicContact CZ-CD1 3.88Å; F144-L375 HydrophobicContact CZ-CB 4.41Å; F144-L375 HydrophobicContact CZ-CD2 4.21Å; F144-L375 HydrophobicContact CZ-CG 4.42Å; F144-R376 HydrophobicContact CB-CG 4.35Å; F144-R376 HydrophobicContact CD1-CB 4Å; F144-R376 HydrophobicContact CD1-CG 3.78Å; F144-R376 HydrophobicContact CD2-CB 3.95Å; F144-R376 HydrophobicContact CD2-CG 3.93Å; F144-R376 VanDerWaalsContact CE1-CA 3.45Å; F144-R376 HydrophobicContact CE1-CB 3.75Å; F144-R376 HydrophobicContact CE1-CG 4.06Å; F144-R376 HydrophobicContact CE2-CB 3.67Å; F144-R376 HydrophobicContact CE2-CG 4.19Å; F144-R376 HydrophobicContact CG-CB 4.12Å; F144-R376 HydrophobicContact CG-CG 3.72Å; F144-R376 HydrophobicContact CZ-CB 3.57Å; F144-R376 HydrophobicContact CZ-CG 4.26Å; F144-V387 HydrophobicContact CE1-CG2 3.96Å; F144-V387 HydrophobicContact CZ-CG1 4.42Å; F144-V387 HydrophobicContact CZ-CG2 4.41Å
145	T	91.8	Very high	83	Confident	38 Å²	38	52.1 Å²	52.1	23%	0.233	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-39.4	175.2	-61.2	0	0	0	0	112.6	D142 I143 V148 S149 R376	D142-T145 WeakPolarHBondContact O-CB 3.36Å; D142-T145 PolarHBondContact O-N 2.03Å; D142-T145 VanDerWaalsContact O-N 3.1Å; D142-T145 WeakPolarHBondContact OD1-CB 3.37Å; D142-T145 PolarHBondContact OD1-N 2.78Å; D142-T145 PolarHBondContact OD1-OG1 3.26Å; D142-T145 WeakPolarHBondContact OD2-CB 3.25Å; D142-T145 PolarHBondContact OD2-OG1 3.04Å; I143-T145 VanDerWaalsContact C-N 3.26Å; I143-T145 PolarHBondContact O-N 3.42Å; T145-V148 PolarHBondContact O-N 2.96Å; T145-S149 PolarHBondContact O-N 3.49Å; T145-R376 PolarHBondContact OG1-NE 3.28Å; T145-R376 PolarHBondContact OG1-NH2 2.94Å
146	Q	89.9	Confident	84.5	Confident	89 Å²	89	54.5 Å²	54.5	42%	0.416	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-45.1	176.5	-61.7	178.7	27.5	0	0	111.1	N141 D142 I143 V148 S149 S153	N141-Q146 PolarHBondContact OD1-NE2 2.7Å; D142-Q146 PolarHBondContact O-N 3.16Å; I143-Q146 WeakPolarHBondContact O-CB 3.24Å; I143-Q146 PolarHBondContact O-N 3.03Å; I143-Q146 VanDerWaalsContact O-N 3.12Å; Q146-V148 VanDerWaalsContact C-N 3.32Å; Q146-V148 PolarHBondContact O-N 3.32Å; Q146-S149 WeakPolarHBondContact O-CB 3.49Å; Q146-S149 PolarHBondContact O-N 3.31Å; Q146-S149 PolarHBondContact O-OG 3.06Å; Q146-S153 WeakPolarHBondContact O-CB 3.23Å
147	I	90.4	Very high	85.8	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-44	177.2	-69.5	163.9	0	0	0	111.3	I143 F144 S153 W154 F157 V277	I143-I147 HydrophobicContact CG1-CD1 3.95Å; I143-I147 HydrophobicContact CG1-CG1 4.35Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.45Å; F144-I147 PolarHBondContact O-N 2.94Å; I147-S153 CarbonylContact O-C 3.59Å; I147-W154 HydrophobicContact CG2-CE3 3.58Å; I147-W154 HydrophobicContact CG2-CZ3 4.04Å; I147-W154 WeakPolarHBondContact O-CA 3.09Å; I147-W154 PolarHBondContact O-N 2.98Å; I147-W154 VanDerWaalsContact O-N 3.08Å; I147-F157 HydrophobicContact CB-CD1 4.49Å; I147-F157 HydrophobicContact CB-CG 4.46Å; I147-F157 HydrophobicContact CD1-CD1 4.01Å; I147-F157 HydrophobicContact CD1-CD2 3.69Å; I147-F157 HydrophobicContact CD1-CE1 3.79Å; I147-F157 HydrophobicContact CD1-CE2 3.48Å; I147-F157 VanDerWaalsContact CD1-CE2 3.48Å; I147-F157 HydrophobicContact CD1-CG 3.94Å; I147-F157 HydrophobicContact CD1-CZ 3.52Å; I147-F157 HydrophobicContact CG1-CB 4.13Å; I147-F157 HydrophobicContact CG1-CD1 4.05Å; I147-F157 HydrophobicContact CG1-CD2 3.74Å; I147-F157 HydrophobicContact CG1-CE1 4.35Å; I147-F157 HydrophobicContact CG1-CE2 4.09Å; I147-F157 HydrophobicContact CG1-CG 3.71Å; I147-F157 HydrophobicContact CG1-CZ 4.38Å; I147-F157 HydrophobicContact CG2-CB 4.19Å; I147-F157 HydrophobicContact CG2-CD1 3.59Å; I147-F157 HydrophobicContact CG2-CE1 4.09Å; I147-F157 HydrophobicContact CG2-CG 3.95Å; I147-V277 HydrophobicContact CD1-CG1 4Å; I147-V277 HydrophobicContact CD1-CG2 4.49Å
148	V	93.5	Very high	86.9	Confident	9 Å²	9	50.7 Å²	50.7	6%	0.055	28%	0.281	C	S	.	.	H	α-helix	trans	-91.3	-1.1	-175.8	-52	0	0	0	0	114.4	F144 T145 Q146 S150 W369 I372 K373 R376	F144-V148 HydrophobicContact CD2-CG1 4.03Å; F144-V148 HydrophobicContact CE2-CG1 3.94Å; F144-V148 WeakPolarHBondContact O-CG2 2.95Å; F144-V148 PolarHBondContact O-N 3.27Å; T145-V148 PolarHBondContact O-N 2.96Å; Q146-V148 VanDerWaalsContact C-N 3.32Å; Q146-V148 PolarHBondContact O-N 3.32Å; V148-S150 VanDerWaalsContact C-N 3.26Å; V148-S150 PolarHBondContact O-N 3.28Å; V148-W369 PolarHBondContact O-NE1 3.42Å; V148-W369 VanDerWaalsContact O-NE1 3.07Å; V148-I372 HydrophobicContact CG1-CB 4.46Å; V148-I372 HydrophobicContact CG1-CG1 3.94Å; V148-I372 HydrophobicContact CG1-CG2 4.04Å; V148-K373 HydrophobicContact CB-CB 4.37Å; V148-R376 HydrophobicContact CG1-CB 4.13Å; V148-R376 HydrophobicContact CG2-CB 4.01Å; V148-R376 HydrophobicContact CG2-CG 3.83Å
149	S	93.8	Very high	87.6	Confident	78 Å²	78	53 Å²	53	55%	0.545	29%	0.294	S	S	.	.	S	Bend	trans	-56.7	-37.1	-175.3	60.5	0	0	0	0	113.4	T145 Q146 S153	T145-S149 PolarHBondContact O-N 3.49Å; Q146-S149 WeakPolarHBondContact O-CB 3.49Å; Q146-S149 PolarHBondContact O-N 3.31Å; Q146-S149 PolarHBondContact O-OG 3.06Å; S149-S153 WeakPolarHBondContact OG-CB 3.18Å; S149-S153 PolarHBondContact OG-OG 3.01Å
150	S	94.3	Very high	87.9	Confident	42 Å²	42	51.3 Å²	51.3	29%	0.294	28%	0.283	S	S	.	.	S	Bend	trans	-147.7	160.5	174.5	78.6	0	0	0	0	110.6	V148 S152 S153 W154 W369	V148-S150 VanDerWaalsContact C-N 3.26Å; V148-S150 PolarHBondContact O-N 3.28Å; S150-S152 PolarHBondContact O-N 3.37Å; S150-S152 PolarHBondContact OG-N 3.06Å; S150-S153 PolarHBondContact O-N 3.44Å; S150-S153 PolarHBondContact OG-N 2.66Å; S150-S153 PolarHBondContact OG-OG 3.39Å; S150-W154 PolarHBondContact O-N 2.82Å; S150-W154 VanDerWaalsContact O-N 3.09Å; S150-W369 PolarHBondContact O-NE1 3.16Å
151	Q	92.5	Very high	88.4	Confident	107 Å²	107	42.8 Å²	42.8	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-32.6	172.6	-175.9	175.7	-11.3	0	0	111.7	L155 W369	Q151-L155 HydrophobicContact CG-CD1 4.37Å; Q151-L155 WeakPolarHBondContact O-CG 3.09Å; Q151-L155 PolarHBondContact O-N 2.85Å; Q151-W369 HydrophobicContact CB-CB 4.49Å; Q151-W369 HydrophobicContact CB-CD2 3.89Å; Q151-W369 HydrophobicContact CB-CE3 4.04Å; Q151-W369 HydrophobicContact CB-CG 4.08Å; Q151-W369 HydrophobicContact CG-CB 4.25Å; Q151-W369 HydrophobicContact CG-CG 4.37Å
152	S	93.3	Very high	89	Confident	81 Å²	81	43.9 Å²	43.9	57%	0.566	25%	0.251	S	S	*	.	H	α-helix	trans	-64.9	-48.2	175.2	-168.4	0	0	0	0	111.3	S150 W154 L155 T156	S150-S152 PolarHBondContact O-N 3.37Å; S150-S152 PolarHBondContact OG-N 3.06Å; S152-W154 VanDerWaalsContact C-N 3.27Å; S152-W154 PolarHBondContact O-N 2.67Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 VanDerWaalsContact O-N 3.15Å; S152-T156 PolarHBondContact O-N 3.27Å; S152-T156 PolarHBondContact O-OG1 3.09Å; S152-T156 VanDerWaalsContact O-OG1 3.06Å
153	S	91.1	Very high	88.6	Confident	38 Å²	38	45.3 Å²	45.3	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-41.5	178.4	-47	0	0	0	0	111.5	Q146 I147 S149 S150 T156 F157	Q146-S153 WeakPolarHBondContact O-CB 3.23Å; I147-S153 CarbonylContact O-C 3.59Å; S149-S153 WeakPolarHBondContact OG-CB 3.18Å; S149-S153 PolarHBondContact OG-OG 3.01Å; S150-S153 PolarHBondContact O-N 3.44Å; S150-S153 PolarHBondContact OG-N 2.66Å; S150-S153 PolarHBondContact OG-OG 3.39Å; S153-T156 PolarHBondContact O-N 2.61Å; S153-F157 WeakPolarHBondContact O-CB 3.47Å; S153-F157 PolarHBondContact O-N 2.72Å
154	W	91.4	Very high	87.8	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-48.1	174.8	165.7	-114.2	0	0	0	112.2	I147 S150 S152 F157 I158 L335 P336 W369 I372	I147-W154 HydrophobicContact CG2-CE3 3.58Å; I147-W154 HydrophobicContact CG2-CZ3 4.04Å; I147-W154 WeakPolarHBondContact O-CA 3.09Å; I147-W154 PolarHBondContact O-N 2.98Å; I147-W154 VanDerWaalsContact O-N 3.08Å; S150-W154 PolarHBondContact O-N 2.82Å; S150-W154 VanDerWaalsContact O-N 3.09Å; S152-W154 VanDerWaalsContact C-N 3.27Å; S152-W154 PolarHBondContact O-N 2.67Å; W154-F157 HydrophobicContact CE3-CD1 4.05Å; W154-F157 AromaticContact CZ3-CD1 3.81Å; W154-F157 HydrophobicContact CZ3-CD1 3.81Å; W154-F157 HydrophobicContact CZ3-CE1 4.09Å; W154-F157 PolarHBondContact O-N 3.24Å; W154-I158 HydrophobicContact CD2-CG1 4.01Å; W154-I158 HydrophobicContact CE3-CD1 4.37Å; W154-I158 HydrophobicContact CE3-CG1 4.11Å; W154-I158 HydrophobicContact CH2-CD1 3.23Å; W154-I158 HydrophobicContact CH2-CG1 3.61Å; W154-I158 HydrophobicContact CZ2-CD1 3.57Å; W154-I158 HydrophobicContact CZ2-CG1 3.48Å; W154-I158 VanDerWaalsContact CZ2-CG1 3.48Å; W154-I158 HydrophobicContact CZ3-CD1 3.69Å; W154-I158 HydrophobicContact CZ3-CG1 3.92Å; W154-I158 WeakPolarHBondContact O-CG1 3.48Å; W154-I158 PolarHBondContact O-N 3.18Å; W154-L335 HydrophobicContact CH2-CB 4.18Å; W154-L335 HydrophobicContact CH2-CD1 4.44Å; W154-L335 HydrophobicContact CH2-CD2 4.35Å; W154-L335 HydrophobicContact CZ3-CD2 4.26Å; W154-P336 HydrophobicContact CH2-CG 4.15Å; W154-P336 HydrophobicContact CZ2-CG 3.91Å; W154-W369 HydrophobicContact CB-CG 4.45Å; W154-W369 HydrophobicContact CG-CB 4.34Å; W154-I372 HydrophobicContact CD2-CG2 3.94Å; W154-I372 HydrophobicContact CE3-CG1 4.27Å; W154-I372 HydrophobicContact CE3-CG2 3.96Å; W154-I372 HydrophobicContact CG-CG2 4.42Å; W154-I372 HydrophobicContact CH2-CG1 4.34Å; W154-I372 HydrophobicContact CZ3-CB 4.43Å; W154-I372 HydrophobicContact CZ3-CG1 3.93Å; W154-I372 HydrophobicContact CZ3-CG2 4.28Å
155	L	90.9	Very high	86.5	Confident	85 Å²	85	49.6 Å²	49.6	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-39.5	178.9	-71.4	176.5	0	0	0	112.4	Q151 S152 F157 I158 D159	Q151-L155 HydrophobicContact CG-CD1 4.37Å; Q151-L155 WeakPolarHBondContact O-CG 3.09Å; Q151-L155 PolarHBondContact O-N 2.85Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 VanDerWaalsContact O-N 3.15Å; L155-F157 VanDerWaalsContact C-N 3.34Å; L155-I158 PolarHBondContact O-N 2.83Å; L155-D159 WeakPolarHBondContact O-CB 3.18Å; L155-D159 PolarHBondContact O-N 3.36Å
156	T	89.6	Confident	84.8	Confident	83 Å²	83	53.3 Å²	53.3	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-43.5	173.9	-60.7	0	0	0	0	111.4	S152 S153 D159 A160	S152-T156 PolarHBondContact O-N 3.27Å; S152-T156 PolarHBondContact O-OG1 3.09Å; S152-T156 VanDerWaalsContact O-OG1 3.06Å; S153-T156 PolarHBondContact O-N 2.61Å; T156-D159 PolarHBondContact O-N 2.94Å; T156-A160 WeakPolarHBondContact O-CB 3.31Å; T156-A160 PolarHBondContact O-N 3.19Å
157	F	88.5	Confident	82.8	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-41.6	175.9	171.3	-107.6	0	0	0	112.2	I147 S153 W154 L155 A160 L161 V177 L181 V277 L335	I147-F157 HydrophobicContact CB-CD1 4.49Å; I147-F157 HydrophobicContact CB-CG 4.46Å; I147-F157 HydrophobicContact CD1-CD1 4.01Å; I147-F157 HydrophobicContact CD1-CD2 3.69Å; I147-F157 HydrophobicContact CD1-CE1 3.79Å; I147-F157 HydrophobicContact CD1-CE2 3.48Å; I147-F157 VanDerWaalsContact CD1-CE2 3.48Å; I147-F157 HydrophobicContact CD1-CG 3.94Å; I147-F157 HydrophobicContact CD1-CZ 3.52Å; I147-F157 HydrophobicContact CG1-CB 4.13Å; I147-F157 HydrophobicContact CG1-CD1 4.05Å; I147-F157 HydrophobicContact CG1-CD2 3.74Å; I147-F157 HydrophobicContact CG1-CE1 4.35Å; I147-F157 HydrophobicContact CG1-CE2 4.09Å; I147-F157 HydrophobicContact CG1-CG 3.71Å; I147-F157 HydrophobicContact CG1-CZ 4.38Å; I147-F157 HydrophobicContact CG2-CB 4.19Å; I147-F157 HydrophobicContact CG2-CD1 3.59Å; I147-F157 HydrophobicContact CG2-CE1 4.09Å; I147-F157 HydrophobicContact CG2-CG 3.95Å; S153-F157 WeakPolarHBondContact O-CB 3.47Å; S153-F157 PolarHBondContact O-N 2.72Å; W154-F157 HydrophobicContact CE3-CD1 4.05Å; W154-F157 AromaticContact CZ3-CD1 3.81Å; W154-F157 HydrophobicContact CZ3-CD1 3.81Å; W154-F157 HydrophobicContact CZ3-CE1 4.09Å; W154-F157 PolarHBondContact O-N 3.24Å; L155-F157 VanDerWaalsContact C-N 3.34Å; F157-A160 PolarHBondContact O-N 3.1Å; F157-L161 HydrophobicContact CD1-CD1 3.97Å; F157-L161 HydrophobicContact CD2-CG 4.49Å; F157-L161 HydrophobicContact CE1-CD1 3.3Å; F157-L161 HydrophobicContact CE1-CG 4.11Å; F157-L161 HydrophobicContact CE2-CD1 4.05Å; F157-L161 HydrophobicContact CE2-CD2 4.49Å; F157-L161 HydrophobicContact CE2-CG 4Å; F157-L161 HydrophobicContact CZ-CD1 3.34Å; F157-L161 HydrophobicContact CZ-CD2 4.32Å; F157-L161 HydrophobicContact CZ-CG 3.81Å; F157-L161 PolarHBondContact O-N 3.25Å; F157-V177 HydrophobicContact CD2-CG1 4.1Å; F157-V177 HydrophobicContact CE2-CG1 4.42Å; F157-L181 HydrophobicContact CE2-CD1 3.87Å; F157-L181 HydrophobicContact CE2-CD2 4.34Å; F157-V277 HydrophobicContact CZ-CG2 3.9Å; F157-L335 HydrophobicContact CE1-CD1 3.59Å; F157-L335 HydrophobicContact CZ-CD1 4.17Å
158	I	88.8	Confident	80.6	Confident	8 Å²	8	58 Å²	58	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-41.4	175.5	-70.3	-55.4	0	0	0	112.1	W154 L155 A160 L161 N162 L335 P338 F391	W154-I158 HydrophobicContact CD2-CG1 4.01Å; W154-I158 HydrophobicContact CE3-CD1 4.37Å; W154-I158 HydrophobicContact CE3-CG1 4.11Å; W154-I158 HydrophobicContact CH2-CD1 3.23Å; W154-I158 HydrophobicContact CH2-CG1 3.61Å; W154-I158 HydrophobicContact CZ2-CD1 3.57Å; W154-I158 HydrophobicContact CZ2-CG1 3.48Å; W154-I158 VanDerWaalsContact CZ2-CG1 3.48Å; W154-I158 HydrophobicContact CZ3-CD1 3.69Å; W154-I158 HydrophobicContact CZ3-CG1 3.92Å; W154-I158 WeakPolarHBondContact O-CG1 3.48Å; W154-I158 PolarHBondContact O-N 3.18Å; L155-I158 PolarHBondContact O-N 2.83Å; I158-A160 VanDerWaalsContact C-N 3.33Å; I158-A160 PolarHBondContact O-N 3.31Å; I158-L161 HydrophobicContact CD1-CD1 4.23Å; I158-L161 PolarHBondContact O-N 2.68Å; I158-N162 WeakPolarHBondContact O-CB 3.41Å; I158-N162 VanDerWaalsContact O-CG 3.28Å; I158-N162 PolarHBondContact O-N 2.95Å; I158-N162 PolarHBondContact O-ND2 3.31Å; I158-L335 HydrophobicContact CD1-CD1 4.38Å; I158-P338 HydrophobicContact CG1-CG 4.27Å; I158-P338 HydrophobicContact CG2-CG 3.88Å; I158-F391 HydrophobicContact CD1-CE1 3.78Å; I158-F391 HydrophobicContact CD1-CZ 4.29Å; I158-F391 HydrophobicContact CG2-CZ 4.22Å
159	D	87	Confident	78.1	Confident	78 Å²	78	61 Å²	61	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-43.9	174.7	180	65.2	0	0	0	111.3	L155 T156 N162 K163	L155-D159 WeakPolarHBondContact O-CB 3.18Å; L155-D159 PolarHBondContact O-N 3.36Å; T156-D159 PolarHBondContact O-N 2.94Å; D159-N162 PolarHBondContact O-N 3.42Å; D159-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 PolarHBondContact O-N 3.35Å; D159-K163 IonicContact OD1-NZ 3.89Å; D159-K163 WeakPolarHBondContact OD2-CE 3.37Å; D159-K163 IonicContact OD2-NZ 2.66Å; D159-K163 PolarHBondContact OD2-NZ 3.39Å
160	A	82	Confident	75.5	Confident	7 Å²	7	62.1 Å²	62.1	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-46.1	174.5	0	0	0	0	0	112.2	T156 F157 I158 N162 K163 L164 V177	T156-A160 WeakPolarHBondContact O-CB 3.31Å; T156-A160 PolarHBondContact O-N 3.19Å; F157-A160 PolarHBondContact O-N 3.1Å; I158-A160 VanDerWaalsContact C-N 3.33Å; I158-A160 PolarHBondContact O-N 3.31Å; A160-N162 PolarHBondContact O-N 3.37Å; A160-K163 PolarHBondContact O-N 2.87Å; A160-L164 VanDerWaalsContact O-CG 3.28Å; A160-L164 WeakPolarHBondContact O-CG 3.32Å; A160-L164 PolarHBondContact O-N 3.36Å; A160-V177 HydrophobicContact CB-CB 4.04Å; A160-V177 HydrophobicContact CB-CG1 4.04Å; A160-V177 HydrophobicContact CB-CG2 3.86Å
161	L	81.4	Confident	72.7	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-44.1	175.5	-85.4	178.8	0	0	0	112.1	F157 I158 K163 L164 H165 F275 L335 G389	F157-L161 HydrophobicContact CD1-CD1 3.97Å; F157-L161 HydrophobicContact CD2-CG 4.49Å; F157-L161 HydrophobicContact CE1-CD1 3.3Å; F157-L161 HydrophobicContact CE1-CG 4.11Å; F157-L161 HydrophobicContact CE2-CD1 4.05Å; F157-L161 HydrophobicContact CE2-CD2 4.49Å; F157-L161 HydrophobicContact CE2-CG 4Å; F157-L161 HydrophobicContact CZ-CD1 3.34Å; F157-L161 HydrophobicContact CZ-CD2 4.32Å; F157-L161 HydrophobicContact CZ-CG 3.81Å; F157-L161 PolarHBondContact O-N 3.25Å; I158-L161 HydrophobicContact CD1-CD1 4.23Å; I158-L161 PolarHBondContact O-N 2.68Å; L161-K163 VanDerWaalsContact C-N 3.35Å; L161-L164 PolarHBondContact O-N 3.02Å; L161-H165 PolarHBondContact O-N 2.97Å; L161-H165 PolarHBondContact O-ND1 2.96Å; L161-F275 HydrophobicContact CD2-CB 4.5Å; L161-F275 HydrophobicContact CD2-CD2 3.96Å; L161-F275 HydrophobicContact CD2-CE2 4.46Å; L161-F275 HydrophobicContact CD2-CG 4.11Å; L161-L335 HydrophobicContact CD1-CD1 3.37Å; L161-G389 WeakPolarHBondContact CD2-O 3.41Å
162	N	81.3	Confident	70.1	Confident	64 Å²	64	65.7 Å²	65.7	34%	0.342	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-41.8	178.5	-74.1	-26.4	0	0	0	111.3	I158 D159 A160 L164 H165 V166 F391	I158-N162 WeakPolarHBondContact O-CB 3.41Å; I158-N162 VanDerWaalsContact O-CG 3.28Å; I158-N162 PolarHBondContact O-N 2.95Å; I158-N162 PolarHBondContact O-ND2 3.31Å; D159-N162 PolarHBondContact O-N 3.42Å; A160-N162 PolarHBondContact O-N 3.37Å; N162-L164 VanDerWaalsContact C-N 3.3Å; N162-L164 PolarHBondContact O-N 3.5Å; N162-H165 PolarHBondContact O-N 3.3Å; N162-V166 WeakPolarHBondContact O-CB 3.17Å; N162-V166 VanDerWaalsContact O-CG2 3.26Å; N162-V166 WeakPolarHBondContact O-CG2 3.46Å; N162-V166 PolarHBondContact O-N 3.22Å; N162-F391 WeakPolarHBondContact OD1-CE2 3.43Å; N162-F391 WeakPolarHBondContact OD1-CZ 3.23Å
163	K	73.1	Confident	67.4	Low	106 Å²	106	69.4 Å²	69.4	46%	0.461	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-39.9	174.6	-74.4	168.2	176.4	168	0	112.2	D159 A160 L161 V166 N167	D159-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 PolarHBondContact O-N 3.35Å; D159-K163 IonicContact OD1-NZ 3.89Å; D159-K163 WeakPolarHBondContact OD2-CE 3.37Å; D159-K163 IonicContact OD2-NZ 2.66Å; D159-K163 PolarHBondContact OD2-NZ 3.39Å; A160-K163 PolarHBondContact O-N 2.87Å; L161-K163 VanDerWaalsContact C-N 3.35Å; K163-V166 PolarHBondContact O-N 3.21Å; K163-N167 WeakPolarHBondContact O-CB 3.42Å; K163-N167 PolarHBondContact O-N 3.09Å
164	L	68.5	Low	64.8	Low	22 Å²	22	72.8 Å²	72.8	12%	0.115	39%	0.387	C	S	.	.	H	α-helix	trans	-67	-38.5	177.5	-69.4	164.7	0	0	0	112.4	A160 L161 N162 I172 F275	A160-L164 VanDerWaalsContact O-CG 3.28Å; A160-L164 WeakPolarHBondContact O-CG 3.32Å; A160-L164 PolarHBondContact O-N 3.36Å; L161-L164 PolarHBondContact O-N 3.02Å; N162-L164 VanDerWaalsContact C-N 3.3Å; N162-L164 PolarHBondContact O-N 3.5Å; L164-I172 HydrophobicContact CD2-CG2 4.08Å; L164-F275 HydrophobicContact CB-CE2 4.26Å; L164-F275 HydrophobicContact CB-CZ 3.97Å; L164-F275 HydrophobicContact CD1-CE1 3.66Å; L164-F275 HydrophobicContact CD1-CE2 4.35Å; L164-F275 HydrophobicContact CD1-CZ 3.56Å; L164-F275 HydrophobicContact CD2-CZ 4.38Å; L164-F275 HydrophobicContact CG-CZ 4.17Å
165	H	64.4	Low	62.5	Low	85 Å²	85	74.8 Å²	74.8	39%	0.394	40%	0.4	S	S	.	.	H	α-helix	trans	-75.2	-28.7	176.2	-70.8	95.8	0	0	0	113.4	L161 N162	L161-H165 PolarHBondContact O-N 2.97Å; L161-H165 PolarHBondContact O-ND1 2.96Å; N162-H165 PolarHBondContact O-N 3.3Å
166	V	55.6	Low	60.5	Low	117 Å²	117	78.6 Å²	78.6	71%	0.709	42%	0.415	S	S	*	.	H	α-helix	trans	-77.8	-35.5	177.5	171.7	0	0	0	0	111.6	N162 K163 D168	N162-V166 WeakPolarHBondContact O-CB 3.17Å; N162-V166 VanDerWaalsContact O-CG2 3.26Å; N162-V166 WeakPolarHBondContact O-CG2 3.46Å; N162-V166 PolarHBondContact O-N 3.22Å; K163-V166 PolarHBondContact O-N 3.21Å; V166-D168 PolarHBondContact O-N 2.87Å
167	N	46.8	Very low	58.6	Low	88 Å²	88	76.2 Å²	76.2	47%	0.471	40%	0.4	S	S	.	.			trans	-82.3	37.1	-177.7	-76.4	-5.2	0	0	0	113.7	K163 S169	K163-N167 WeakPolarHBondContact O-CB 3.42Å; K163-N167 PolarHBondContact O-N 3.09Å; N167-S169 PolarHBondContact O-N 3.44Å
168	D	44.1	Very low	56.8	Low	104 Å²	104	76.6 Å²	76.6	56%	0.556	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	16.9	-172.4	-129.2	1.2	0	0	0	114.7	V166	V166-D168 PolarHBondContact O-N 2.87Å
169	S	42.3	Very low	55	Low	74 Å²	74	80.5 Å²	80.5	52%	0.517	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	-2.1	-176.3	-63.7	0	0	0	0	121	N167	N167-S169 PolarHBondContact O-N 3.44Å
170	N	38.2	Very low	53.7	Low	100 Å²	100	80.4 Å²	80.4	54%	0.535	43%	0.425	S	S	.	.	S	Bend	trans	-147.2	-34.6	176.3	-90	-41.2	0	0	0	119.7	P211	N170-P211 VanDerWaalsContact OD1-CG 3.31Å; N170-P211 WeakPolarHBondContact OD1-CG 3.38Å
171	H	36.3	Very low	52.7	Low	149 Å²	149	80.2 Å²	80.2	69%	0.69	42%	0.424	S	S	*	.			trans	-154.1	107.5	174	-73.6	-68.6	0	0	0	107.3	E173	H171-E173 PolarHBondContact O-N 2.68Å
172	I	38.3	Very low	52	Low	76 Å²	76	80.7 Å²	80.7	39%	0.39	43%	0.426	S	S	.	.			trans	-67.5	86.2	153.7	-58.7	173.3	0	0	0	103.8	L164 T174 H273	L164-I172 HydrophobicContact CD2-CG2 4.08Å; I172-T174 VanDerWaalsContact C-N 3.33Å; I172-T174 PolarHBondContact O-N 2.8Å; I172-H273 VanDerWaalsContact CD1-CE1 3.42Å; I172-H273 WeakPolarHBondContact CD1-CE1 3.44Å; I172-H273 WeakPolarHBondContact CD1-NE2 3.42Å
173	E	34.9	Very low	51.4	Low	158 Å²	158	79.1 Å²	79.1	74%	0.738	42%	0.416	S	S	*	.			trans	-50.9	113.3	151.4	-77.6	-175.4	169.2	0	0	104.6	H171 T175	H171-E173 PolarHBondContact O-N 2.68Å; E173-T175 PolarHBondContact O-N 2.65Å
174	T	37.6	Very low	51.3	Low	109 Å²	109	74 Å²	74	67%	0.669	39%	0.394	S	S	*	.			trans	-58.3	92.7	-179.5	47.1	0	0	0	0	107.8	I172	I172-T174 VanDerWaalsContact C-N 3.33Å; I172-T174 PolarHBondContact O-N 2.8Å
175	T	44	Very low	51.2	Low	47 Å²	47	73.9 Å²	73.9	29%	0.288	39%	0.394	S	S	.	.			trans	-65.5	142.1	165.4	49.1	0	0	0	0	107	E173 V177 S178	E173-T175 PolarHBondContact O-N 2.65Å; T175-V177 PolarHBondContact O-N 3.12Å; T175-S178 PolarHBondContact N-OG 3.1Å; T175-S178 WeakPolarHBondContact O-CB 3.25Å; T175-S178 PolarHBondContact O-N 2.56Å; T175-S178 PolarHBondContact O-OG 3.32Å
176	E	48.4	Very low	51.1	Low	166 Å²	166	69.9 Å²	69.9	78%	0.776	38%	0.375	S	S	*	.	H	α-helix	trans	-47.6	-40	178	-73.8	176.8	156.3	0	0	111.7	S178 T179 E180	E176-S178 VanDerWaalsContact C-N 3.31Å; E176-S178 PolarHBondContact O-N 2.94Å; E176-T179 PolarHBondContact O-N 3.26Å; E176-T179 PolarHBondContact O-OG1 3.28Å; E176-E180 PolarHBondContact O-N 3.35Å
177	V	49.5	Very low	51.5	Low	32 Å²	32	68 Å²	68	19%	0.194	36%	0.356	C	S	.	.	H	α-helix	trans	-57	-38.3	176.5	-179.1	0	0	0	0	113.1	F157 A160 T175 T179 E180 L181	F157-V177 HydrophobicContact CD2-CG1 4.1Å; F157-V177 HydrophobicContact CE2-CG1 4.42Å; A160-V177 HydrophobicContact CB-CB 4.04Å; A160-V177 HydrophobicContact CB-CG1 4.04Å; A160-V177 HydrophobicContact CB-CG2 3.86Å; T175-V177 PolarHBondContact O-N 3.12Å; V177-T179 VanDerWaalsContact C-N 3.29Å; V177-T179 PolarHBondContact O-N 3.22Å; V177-E180 PolarHBondContact O-N 3.42Å; V177-L181 HydrophobicContact CG1-CD1 3.62Å; V177-L181 HydrophobicContact CG1-CG 4.49Å; V177-L181 WeakPolarHBondContact O-CD1 3.22Å; V177-L181 PolarHBondContact O-N 3.03Å
178	S	49.9	Very low	52.6	Low	17 Å²	17	64.7 Å²	64.7	12%	0.119	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-25.9	177.4	72.4	0	0	0	0	112.8	T175 E176 H183	T175-S178 PolarHBondContact N-OG 3.1Å; T175-S178 WeakPolarHBondContact O-CB 3.25Å; T175-S178 PolarHBondContact O-N 2.56Å; T175-S178 PolarHBondContact O-OG 3.32Å; E176-S178 VanDerWaalsContact C-N 3.31Å; E176-S178 PolarHBondContact O-N 2.94Å; S178-H183 PolarHBondContact O-CE1 3.33Å; S178-H183 PolarHBondContact O-NE2 2.89Å
179	T	51.2	Low	53.9	Low	89 Å²	89	59.8 Å²	59.8	55%	0.546	31%	0.313	S	S	.	.	H	α-helix	trans	-81.1	-24.1	178.4	62.6	0	0	0	0	112.9	E176 V177	E176-T179 PolarHBondContact O-N 3.26Å; E176-T179 PolarHBondContact O-OG1 3.28Å; V177-T179 VanDerWaalsContact C-N 3.29Å; V177-T179 PolarHBondContact O-N 3.22Å
180	E	58.9	Low	55.2	Low	76 Å²	76	58 Å²	58	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-92.5	-27.7	-175.4	-71.6	-173	173.5	0	0	114.6	I137 N141 I143 E176 V177	I137-E180 WeakPolarHBondContact CG2-O 3.36Å; N141-E180 PolarHBondContact ND2-O 2.87Å; N141-E180 VanDerWaalsContact ND2-O 3.16Å; I143-E180 HydrophobicContact CD1-CB 4.42Å; E176-E180 PolarHBondContact O-N 3.35Å; V177-E180 PolarHBondContact O-N 3.42Å
181	L	61.5	Low	56.6	Low	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.28	C	S	.	.	S	Bend	trans	-78.2	147	177.8	-76.5	160.6	0	0	0	110.9	I143 F157 V177 H183 F275	I143-L181 HydrophobicContact CG1-CD2 3.83Å; I143-L181 HydrophobicContact CG1-CG 4.35Å; I143-L181 HydrophobicContact CG2-CD2 4.17Å; F157-L181 HydrophobicContact CE2-CD1 3.87Å; F157-L181 HydrophobicContact CE2-CD2 4.34Å; V177-L181 HydrophobicContact CG1-CD1 3.62Å; V177-L181 HydrophobicContact CG1-CG 4.49Å; V177-L181 WeakPolarHBondContact O-CD1 3.22Å; V177-L181 PolarHBondContact O-N 3.03Å; L181-H183 WeakPolarHBondContact CB-CE1 3.3Å; L181-H183 PolarHBondContact O-CD2 3.46Å; L181-H183 PolarHBondContact O-CE1 2.87Å; L181-H183 PolarHBondContact O-NE2 3.13Å; L181-F275 HydrophobicContact CB-CD1 4.16Å; L181-F275 HydrophobicContact CD1-CD1 3.72Å; L181-F275 HydrophobicContact CD1-CE1 4.45Å; L181-F275 HydrophobicContact CD1-CG 4.49Å
182	F	67	Low	57.7	Low	12 Å²	12	47.4 Å²	47.4	5%	0.053	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.6	166.6	179.7	-82	0	0	0	109.9	K134 L138 F184 V276 F411	K134-F182 HydrophobicContact CB-CD2 3.61Å; K134-F182 HydrophobicContact CB-CE2 3.33Å; K134-F182 HydrophobicContact CB-CZ 4.48Å; K134-F182 HydrophobicContact CD-CE2 4.21Å; K134-F182 HydrophobicContact CG-CE2 4.4Å; K134-F182 VanDerWaalsContact O-CD2 3.31Å; K134-F182 WeakPolarHBondContact O-CD2 3.26Å; L138-F182 HydrophobicContact CD1-CB 4.07Å; L138-F182 HydrophobicContact CD1-CD1 3.95Å; L138-F182 HydrophobicContact CD1-CD2 3.34Å; L138-F182 HydrophobicContact CD1-CE1 4.23Å; L138-F182 HydrophobicContact CD1-CE2 3.62Å; L138-F182 HydrophobicContact CD1-CG 3.51Å; L138-F182 HydrophobicContact CD1-CZ 4.09Å; L138-F182 HydrophobicContact CD2-CB 3.57Å; L138-F182 HydrophobicContact CD2-CD1 4.43Å; L138-F182 HydrophobicContact CD2-CD2 4.44Å; L138-F182 HydrophobicContact CD2-CG 3.92Å; L138-F182 HydrophobicContact CG-CB 3.58Å; L138-F182 HydrophobicContact CG-CD1 4.38Å; L138-F182 HydrophobicContact CG-CD2 3.62Å; L138-F182 HydrophobicContact CG-CE2 4.39Å; L138-F182 HydrophobicContact CG-CG 3.61Å; F182-F184 HydrophobicContact CD1-CE1 4.48Å; F182-F184 HydrophobicContact CD1-CZ 4.45Å; F182-F184 AromaticContact CE1-CD1 3.5Å; F182-F184 HydrophobicContact CE1-CD1 3.5Å; F182-F184 VanDerWaalsContact CE1-CD1 3.5Å; F182-F184 HydrophobicContact CE1-CD2 4.18Å; F182-F184 AromaticContact CE1-CE1 3.35Å; F182-F184 HydrophobicContact CE1-CE1 3.35Å; F182-F184 HydrophobicContact CE1-CE2 4.09Å; F182-F184 AromaticContact CE1-CG 3.9Å; F182-F184 HydrophobicContact CE1-CG 3.9Å; F182-F184 AromaticContact CE1-CZ 3.66Å; F182-F184 HydrophobicContact CE1-CZ 3.66Å; F182-F184 HydrophobicContact CZ-CD1 4.06Å; F182-F184 AromaticContact CZ-CE1 3.81Å; F182-F184 HydrophobicContact CZ-CE1 3.81Å; F182-F184 HydrophobicContact CZ-CZ 4.41Å; F182-V276 HydrophobicContact CB-CB 4.47Å; F182-V276 HydrophobicContact CD1-CB 4.09Å; F182-V276 HydrophobicContact CD1-CG2 3.74Å; F182-V276 HydrophobicContact CE1-CG2 4.32Å; F182-V276 PolarHBondContact O-N 2.91Å; F182-F411 HydrophobicContact CE1-CE2 4.43Å; F182-F411 HydrophobicContact CE1-CZ 4.36Å; F182-F411 HydrophobicContact CE2-CZ 4.16Å; F182-F411 HydrophobicContact CZ-CE2 4.28Å; F182-F411 AromaticContact CZ-CZ 3.8Å; F182-F411 HydrophobicContact CZ-CZ 3.8Å
183	H	69.7	Low	58.9	Low	30 Å²	30	45.9 Å²	45.9	14%	0.139	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.1	-179.2	-41.2	-76.9	0	0	0	110.9	S178 L181 T185 F275	S178-H183 PolarHBondContact O-CE1 3.33Å; S178-H183 PolarHBondContact O-NE2 2.89Å; L181-H183 WeakPolarHBondContact CB-CE1 3.3Å; L181-H183 PolarHBondContact O-CD2 3.46Å; L181-H183 PolarHBondContact O-CE1 2.87Å; L181-H183 PolarHBondContact O-NE2 3.13Å; H183-T185 HydrophobicContact CB-CG2 4.32Å; H183-T185 PolarHBondContact O-N 3.36Å; H183-F275 AromaticContact CE1-CD1 3.07Å; H183-F275 WeakPolarHBondContact CE1-CD1 3.49Å; H183-F275 AromaticContact CE1-CE1 3.04Å; H183-F275 WeakPolarHBondContact CE1-CE1 3.46Å; H183-F275 AromaticContact ND1-CD1 2.88Å; H183-F275 WeakPolarHBondContact ND1-CD1 3.33Å; H183-F275 AromaticContact ND1-CE1 3.02Å; H183-F275 WeakPolarHBondContact ND1-CE1 3.43Å; H183-F275 AromaticContact ND1-CG 3.76Å
184	F	70.7	Confident	60.1	Low	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	100.2	162.2	-63.8	-68.1	0	0	0	109.6	F182 S188 L274 V276 L403 R406 W407 V410 F411	F182-F184 HydrophobicContact CD1-CE1 4.48Å; F182-F184 HydrophobicContact CD1-CZ 4.45Å; F182-F184 AromaticContact CE1-CD1 3.5Å; F182-F184 HydrophobicContact CE1-CD1 3.5Å; F182-F184 VanDerWaalsContact CE1-CD1 3.5Å; F182-F184 HydrophobicContact CE1-CD2 4.18Å; F182-F184 AromaticContact CE1-CE1 3.35Å; F182-F184 HydrophobicContact CE1-CE1 3.35Å; F182-F184 HydrophobicContact CE1-CE2 4.09Å; F182-F184 AromaticContact CE1-CG 3.9Å; F182-F184 HydrophobicContact CE1-CG 3.9Å; F182-F184 AromaticContact CE1-CZ 3.66Å; F182-F184 HydrophobicContact CE1-CZ 3.66Å; F182-F184 HydrophobicContact CZ-CD1 4.06Å; F182-F184 AromaticContact CZ-CE1 3.81Å; F182-F184 HydrophobicContact CZ-CE1 3.81Å; F182-F184 HydrophobicContact CZ-CZ 4.41Å; F184-S188 WeakPolarHBondContact CA-OG 3.16Å; F184-L274 HydrophobicContact CB-CB 4.25Å; F184-L274 PolarHBondContact N-O 2.97Å; F184-L274 PolarHBondContact O-N 2.97Å; F184-V276 HydrophobicContact CD2-CG2 3.39Å; F184-V276 HydrophobicContact CE2-CG2 3.2Å; F184-V276 HydrophobicContact CG-CG2 4.45Å; F184-V276 HydrophobicContact CZ-CG2 4.12Å; F184-L403 HydrophobicContact CD2-CD1 3.79Å; F184-L403 HydrophobicContact CE2-CD1 3.77Å; F184-R406 HydrophobicContact CB-CB 3.85Å; F184-R406 HydrophobicContact CB-CG 4.32Å; F184-R406 HydrophobicContact CD1-CB 4.08Å; F184-R406 HydrophobicContact CD2-CB 4.13Å; F184-R406 HydrophobicContact CG-CB 3.79Å; F184-R406 PolarHBondContact O-NH1 3.31Å; F184-W407 HydrophobicContact CE2-CB 3.79Å; F184-W407 HydrophobicContact CZ-CB 3.69Å; F184-W407 HydrophobicContact CZ-CG 4.36Å; F184-V410 HydrophobicContact CD1-CB 4.43Å; F184-V410 HydrophobicContact CD1-CG2 3.82Å; F184-V410 HydrophobicContact CE1-CB 3.76Å; F184-V410 HydrophobicContact CE1-CG1 4.13Å; F184-V410 HydrophobicContact CE1-CG2 3.66Å; F184-F411 HydrophobicContact CE1-CD2 4.32Å; F184-F411 AromaticContact CE1-CE2 3.77Å; F184-F411 HydrophobicContact CE1-CE2 3.77Å; F184-F411 HydrophobicContact CE1-CZ 4.43Å; F184-F411 HydrophobicContact CZ-CD2 4.05Å; F184-F411 AromaticContact CZ-CE2 3.56Å; F184-F411 HydrophobicContact CZ-CE2 3.56Å
185	T	65.7	Low	60.9	Low	18 Å²	18	38 Å²	38	11%	0.11	20%	0.197	C	C	.	.			trans	-97.7	167.2	165.4	63.9	0	0	0	0	110.3	H183 Y187 S188	H183-T185 HydrophobicContact CB-CG2 4.32Å; H183-T185 PolarHBondContact O-N 3.36Å; T185-Y187 PolarHBondContact O-N 2.03Å; T185-S188 PolarHBondContact N-OG 2.93Å; T185-S188 VanDerWaalsContact N-OG 3.09Å; T185-S188 WeakPolarHBondContact O-CB 3.12Å; T185-S188 PolarHBondContact O-N 3.07Å; T185-S188 PolarHBondContact O-OG 3.37Å; T185-S188 PolarHBondContact OG1-N 2.84Å
186	Y	63.6	Low	61.4	Low	2 Å²	2	37.8 Å²	37.8	1%	0.008	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-49.1	-44.9	169.2	165.5	-99.6	0	0	0	111.9	S188 L189 I192 Y254 P268 N271 V504 F508	Y186-S188 PolarHBondContact O-N 2.85Å; Y186-L189 WeakPolarHBondContact O-CB 3.4Å; Y186-L189 WeakPolarHBondContact O-CG 3.44Å; Y186-L189 PolarHBondContact O-N 3.42Å; Y186-I192 HydrophobicContact CD1-CG2 4.43Å; Y186-I192 HydrophobicContact CD2-CD1 4.31Å; Y186-I192 HydrophobicContact CD2-CG1 4.29Å; Y186-I192 HydrophobicContact CE1-CD1 4.12Å; Y186-I192 HydrophobicContact CE1-CG1 4.21Å; Y186-I192 HydrophobicContact CE1-CG2 3.9Å; Y186-I192 HydrophobicContact CE2-CD1 3.44Å; Y186-I192 VanDerWaalsContact CE2-CD1 3.44Å; Y186-I192 HydrophobicContact CE2-CG1 3.88Å; Y186-I192 WeakPolarHBondContact O-CG1 3.49Å; Y186-I192 VanDerWaalsContact OH-CD1 3.25Å; Y186-I192 WeakPolarHBondContact OH-CD1 3.26Å; Y186-Y254 PolarHBondContact OH-OH 2.91Å; Y186-P268 HydrophobicContact CD1-CG 3.4Å; Y186-P268 VanDerWaalsContact CD1-CG 3.4Å; Y186-P268 HydrophobicContact CD2-CG 3.84Å; Y186-P268 HydrophobicContact CE1-CG 3.79Å; Y186-P268 HydrophobicContact CE2-CG 4.19Å; Y186-P268 HydrophobicContact CG-CB 4.37Å; Y186-P268 HydrophobicContact CG-CG 3.42Å; Y186-P268 VanDerWaalsContact CG-CG 3.42Å; Y186-N271 PolarHBondContact N-OD1 3.44Å; Y186-V504 HydrophobicContact CE2-CG1 3.98Å; Y186-F508 HydrophobicContact CD2-CE2 4.09Å; Y186-F508 HydrophobicContact CD2-CZ 4.33Å; Y186-F508 AromaticContact CE2-CE2 3.46Å; Y186-F508 HydrophobicContact CE2-CE2 3.46Å; Y186-F508 VanDerWaalsContact CE2-CE2 3.46Å; Y186-F508 AromaticContact CE2-CZ 3.62Å; Y186-F508 HydrophobicContact CE2-CZ 3.62Å; Y186-F508 AromaticContact CZ-CZ 3.86Å
187	Y	64	Low	61.8	Low	78 Å²	78	33.9 Å²	33.9	31%	0.306	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-69.3	-10.9	178.3	-56.6	-73.6	0	0	0	115.1	T185 L189 I192 I196 L208	T185-Y187 PolarHBondContact O-N 2.03Å; Y187-L189 VanDerWaalsContact C-N 3.32Å; Y187-I192 HydrophobicContact CD1-CG2 4.02Å; Y187-I196 HydrophobicContact CD1-CD1 4.22Å; Y187-L208 HydrophobicContact CE1-CD1 4.21Å; Y187-L208 HydrophobicContact CE1-CD2 4.09Å; Y187-L208 VanDerWaalsContact OH-CD2 3.22Å; Y187-L208 WeakPolarHBondContact OH-CD2 3.38Å
188	S	67.9	Low	61.9	Low	18 Å²	18	36.3 Å²	36.3	13%	0.126	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-81.5	-12.3	174.2	74	0	0	0	0	113.4	F184 T185 Y186	F184-S188 WeakPolarHBondContact CA-OG 3.16Å; T185-S188 PolarHBondContact N-OG 2.93Å; T185-S188 VanDerWaalsContact N-OG 3.09Å; T185-S188 WeakPolarHBondContact O-CB 3.12Å; T185-S188 PolarHBondContact O-N 3.07Å; T185-S188 PolarHBondContact O-OG 3.37Å; T185-S188 PolarHBondContact OG1-N 2.84Å; Y186-S188 PolarHBondContact O-N 2.85Å
189	L	72.2	Confident	61.9	Low	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-72.4	139.8	-176.2	-62.4	177.2	0	0	0	110.8	Y186 Y187 I191 I192 N193 R406 V410 S503 V504	Y186-L189 WeakPolarHBondContact O-CB 3.4Å; Y186-L189 WeakPolarHBondContact O-CG 3.44Å; Y186-L189 PolarHBondContact O-N 3.42Å; Y187-L189 VanDerWaalsContact C-N 3.32Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 3.06Å; L189-I192 HydrophobicContact CB-CG1 3.98Å; L189-I192 PolarHBondContact O-N 3.28Å; L189-I192 VanDerWaalsContact O-N 3.1Å; L189-N193 PolarHBondContact O-N 2.93Å; L189-R406 HydrophobicContact CD2-CB 4.46Å; L189-R406 HydrophobicContact CD2-CG 4.25Å; L189-V410 HydrophobicContact CD2-CG2 4.15Å; L189-S503 VanDerWaalsContact CD2-OG 3.26Å; L189-S503 WeakPolarHBondContact CD2-OG 2.98Å; L189-V504 HydrophobicContact CD1-CB 4.27Å; L189-V504 HydrophobicContact CD1-CG2 3.65Å
190	P	70.4	Confident	61.7	Low	36 Å²	36	37.8 Å²	37.8	23%	0.234	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-40.7	-172.3	-25.6	35.4	0	0	0	113.3	I192 N193 E194 V410	P190-I192 VanDerWaalsContact C-N 3.31Å; P190-I192 PolarHBondContact O-N 2.86Å; P190-N193 PolarHBondContact O-N 2.95Å; P190-E194 WeakPolarHBondContact O-CG 3.42Å; P190-E194 PolarHBondContact O-N 3.26Å; P190-V410 HydrophobicContact CG-CG2 4.49Å
191	I	66.3	Low	60.9	Low	25 Å²	25	43.1 Å²	43.1	13%	0.128	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-41.3	179.1	-169.7	170.6	0	0	0	111.7	L189 E194 T195 L255 M258 V504	L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 3.06Å; I191-E194 PolarHBondContact O-N 2.05Å; I191-T195 PolarHBondContact O-N 3.18Å; I191-T195 PolarHBondContact O-OG1 3.19Å; I191-L255 HydrophobicContact CD1-CD2 4.08Å; I191-M258 HydrophobicContact CD1-CB 4.45Å; I191-M258 HydrophobicContact CG1-CB 4.46Å; I191-V504 HydrophobicContact CG2-CG2 3.57Å
192	I	60.9	Low	59.7	Low	2 Å²	2	51 Å²	51	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-42.9	177.9	-48.1	-54.2	0	0	0	110.5	Y186 Y187 L189 P190 T195 I196 M258 V504	Y186-I192 HydrophobicContact CD1-CG2 4.43Å; Y186-I192 HydrophobicContact CD2-CD1 4.31Å; Y186-I192 HydrophobicContact CD2-CG1 4.29Å; Y186-I192 HydrophobicContact CE1-CD1 4.12Å; Y186-I192 HydrophobicContact CE1-CG1 4.21Å; Y186-I192 HydrophobicContact CE1-CG2 3.9Å; Y186-I192 HydrophobicContact CE2-CD1 3.44Å; Y186-I192 VanDerWaalsContact CE2-CD1 3.44Å; Y186-I192 HydrophobicContact CE2-CG1 3.88Å; Y186-I192 WeakPolarHBondContact O-CG1 3.49Å; Y186-I192 VanDerWaalsContact OH-CD1 3.25Å; Y186-I192 WeakPolarHBondContact OH-CD1 3.26Å; Y187-I192 HydrophobicContact CD1-CG2 4.02Å; L189-I192 HydrophobicContact CB-CG1 3.98Å; L189-I192 PolarHBondContact O-N 3.28Å; L189-I192 VanDerWaalsContact O-N 3.1Å; P190-I192 VanDerWaalsContact C-N 3.31Å; P190-I192 PolarHBondContact O-N 2.86Å; I192-T195 PolarHBondContact O-N 2.66Å; I192-I196 HydrophobicContact CG2-CD1 3.91Å; I192-I196 HydrophobicContact CG2-CG1 4.47Å; I192-I196 WeakPolarHBondContact O-CB 3.49Å; I192-I196 VanDerWaalsContact O-CG1 3.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.31Å; I192-I196 PolarHBondContact O-N 3.1Å; I192-M258 HydrophobicContact CB-CE 4.39Å; I192-M258 HydrophobicContact CD1-CE 3.14Å; I192-M258 HydrophobicContact CD1-SD 3.36Å; I192-M258 WeakPolarHBondContact CD1-SD 3.36Å; I192-M258 HydrophobicContact CG1-CE 4.3Å; I192-M258 HydrophobicContact CG2-CE 4.41Å; I192-V504 HydrophobicContact CD1-CG1 4.41Å
193	N	62.1	Low	58.3	Low	45 Å²	45	58.1 Å²	58.1	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-43.3	178.9	-169	26.8	0	0	0	111.9	L189 P190 I196 K197	L189-N193 PolarHBondContact O-N 2.93Å; P190-N193 PolarHBondContact O-N 2.95Å; N193-I196 PolarHBondContact O-N 2.9Å; N193-K197 WeakPolarHBondContact O-CG 3.36Å; N193-K197 PolarHBondContact O-N 2.86Å
194	E	61.4	Low	56.6	Low	98 Å²	98	65.4 Å²	65.4	46%	0.458	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175.5	-66.2	-51.7	135.7	0	0	111.5	P190 I191 I196 K197 V198	P190-E194 WeakPolarHBondContact O-CG 3.42Å; P190-E194 PolarHBondContact O-N 3.26Å; I191-E194 PolarHBondContact O-N 2.05Å; E194-I196 PolarHBondContact O-N 3.37Å; E194-K197 WeakPolarHBondContact O-CB 3.47Å; E194-K197 PolarHBondContact O-N 3.21Å; E194-K197 IonicContact OE1-NZ 2.76Å; E194-K197 PolarHBondContact OE1-NZ 3.03Å; E194-K197 IonicContact OE2-NZ 3.66Å; E194-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 2.82Å
195	T	52.8	Low	55	Low	4 Å²	4	70.3 Å²	70.3	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-44.6	172.7	-53	0	0	0	0	111.5	I191 I192 K197 V198 L199 M258 F262	I191-T195 PolarHBondContact O-N 3.18Å; I191-T195 PolarHBondContact O-OG1 3.19Å; I192-T195 PolarHBondContact O-N 2.66Å; T195-K197 VanDerWaalsContact C-N 3.35Å; T195-K197 PolarHBondContact O-N 3.07Å; T195-V198 PolarHBondContact O-N 3.42Å; T195-L199 HydrophobicContact CG2-CD1 3.79Å; T195-L199 HydrophobicContact CG2-CG 4.41Å; T195-L199 WeakPolarHBondContact O-CD1 3.5Å; T195-L199 VanDerWaalsContact O-CG 3.24Å; T195-L199 WeakPolarHBondContact O-CG 3.42Å; T195-L199 PolarHBondContact O-N 3.03Å; T195-M258 HydrophobicContact CG2-CE 3.96Å; T195-M258 WeakPolarHBondContact OG1-CE 3.37Å; T195-M258 PolarHBondContact OG1-O 3.47Å; T195-F262 VanDerWaalsContact CG2-O 3.25Å; T195-F262 WeakPolarHBondContact CG2-O 3.4Å
196	I	55.5	Low	53.5	Low	42 Å²	42	79.1 Å²	79.1	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-39.2	176.6	-70.7	167.9	0	0	0	111.5	Y187 I192 N193 E194 V198 L199 N200 L205	Y187-I196 HydrophobicContact CD1-CD1 4.22Å; I192-I196 HydrophobicContact CG2-CD1 3.91Å; I192-I196 HydrophobicContact CG2-CG1 4.47Å; I192-I196 WeakPolarHBondContact O-CB 3.49Å; I192-I196 VanDerWaalsContact O-CG1 3.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.31Å; I192-I196 PolarHBondContact O-N 3.1Å; N193-I196 PolarHBondContact O-N 2.9Å; E194-I196 PolarHBondContact O-N 3.37Å; I196-V198 VanDerWaalsContact C-N 3.35Å; I196-V198 PolarHBondContact O-N 2.82Å; I196-L199 CarbonylContact O-C 3.57Å; I196-L199 PolarHBondContact O-N 3.23Å; I196-N200 WeakPolarHBondContact O-CB 3.46Å; I196-N200 PolarHBondContact O-N 3.37Å; I196-L205 HydrophobicContact CG2-CD1 4.35Å
197	K	55.6	Low	52.2	Low	83 Å²	83	86.5 Å²	86.5	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-43.7	174.4	-73.4	173.2	-175.7	174.2	0	111.7	N193 E194 T195 L199 N200	N193-K197 WeakPolarHBondContact O-CG 3.36Å; N193-K197 PolarHBondContact O-N 2.86Å; E194-K197 WeakPolarHBondContact O-CB 3.47Å; E194-K197 PolarHBondContact O-N 3.21Å; E194-K197 IonicContact OE1-NZ 2.76Å; E194-K197 PolarHBondContact OE1-NZ 3.03Å; E194-K197 IonicContact OE2-NZ 3.66Å; T195-K197 VanDerWaalsContact C-N 3.35Å; T195-K197 PolarHBondContact O-N 3.07Å; K197-L199 VanDerWaalsContact C-N 3.31Å; K197-L199 PolarHBondContact O-N 2.91Å; K197-N200 PolarHBondContact O-N 3.46Å
198	V	52.8	Low	50.8	Low	84 Å²	84	87.4 Å²	87.4	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-38.2	175.5	175.5	0	0	0	0	111.1	E194 T195 I196 F201	E194-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 2.82Å; T195-V198 PolarHBondContact O-N 3.42Å; I196-V198 VanDerWaalsContact C-N 3.35Å; I196-V198 PolarHBondContact O-N 2.82Å; V198-F201 WeakPolarHBondContact O-CB 3.25Å; V198-F201 PolarHBondContact O-N 3.36Å
199	L	49.7	Very low	49	Very low	41 Å²	41	91.7 Å²	91.7	22%	0.215	46%	0.462	C	S	.	.	H	α-helix	trans	-76.7	-29.4	179.2	-67.8	164.9	0	0	0	113.8	T195 I196 K197 F201 K202 P263	T195-L199 HydrophobicContact CG2-CD1 3.79Å; T195-L199 HydrophobicContact CG2-CG 4.41Å; T195-L199 WeakPolarHBondContact O-CD1 3.5Å; T195-L199 VanDerWaalsContact O-CG 3.24Å; T195-L199 WeakPolarHBondContact O-CG 3.42Å; T195-L199 PolarHBondContact O-N 3.03Å; I196-L199 CarbonylContact O-C 3.57Å; I196-L199 PolarHBondContact O-N 3.23Å; K197-L199 VanDerWaalsContact C-N 3.31Å; K197-L199 PolarHBondContact O-N 2.91Å; L199-F201 PolarHBondContact O-N 3.03Å; L199-F201 VanDerWaalsContact O-N 3.12Å; L199-K202 CarbonylContact O-C 3.08Å; L199-K202 WeakPolarHBondContact O-CA 3.16Å; L199-K202 PolarHBondContact O-N 2.68Å; L199-P263 HydrophobicContact CD1-CB 3.75Å; L199-P263 HydrophobicContact CD2-CB 3.88Å; L199-P263 HydrophobicContact CD2-CG 4.15Å; L199-P263 HydrophobicContact CG-CB 4.48Å
200	N	47.3	Very low	47.2	Very low	95 Å²	95	100 Å²	100	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-14.9	171.6	-89.5	-14.2	0	0	0	112.2	I196 K197 K202 L205	I196-N200 WeakPolarHBondContact O-CB 3.46Å; I196-N200 PolarHBondContact O-N 3.37Å; K197-N200 PolarHBondContact O-N 3.46Å; N200-K202 PolarHBondContact O-N 2.94Å; N200-L205 VanDerWaalsContact OD1-CD1 3.27Å; N200-L205 WeakPolarHBondContact OD1-CD1 3.47Å
201	F	41.8	Very low	45.3	Very low	188 Å²	188	102.1 Å²	102.1	83%	0.825	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.1	166.4	-157.6	-100.5	0	0	0	113.4	V198 L199	V198-F201 WeakPolarHBondContact O-CB 3.25Å; V198-F201 PolarHBondContact O-N 3.36Å; L199-F201 PolarHBondContact O-N 3.03Å; L199-F201 VanDerWaalsContact O-N 3.12Å
202	K	37.3	Very low	43.6	Very low	170 Å²	170	105.3 Å²	105.3	74%	0.739	54%	0.535	S	S	*	.	S	Bend	trans	-132.3	89.6	176.7	-77.8	-176.9	176	177.8	0	110.4	L199 N200 Q204	L199-K202 CarbonylContact O-C 3.08Å; L199-K202 WeakPolarHBondContact O-CA 3.16Å; L199-K202 PolarHBondContact O-N 2.68Å; N200-K202 PolarHBondContact O-N 2.94Å; K202-Q204 PolarHBondContact O-N 3.3Å; K202-Q204 VanDerWaalsContact O-N 3.15Å
203	N	36.6	Very low	42.1	Very low	161 Å²	161	111.7 Å²	111.7	86%	0.861	57%	0.569	S	S	*	*			trans	-19.5	111	168	-89	-24.6	0	0	0	114.8
204	Q	33.7	Very low	40.7	Very low	183 Å²	183	113 Å²	113	86%	0.855	58%	0.575	S	S	*	*			trans	173.9	92.5	137	-97.3	-177.6	7.3	0	0	109.9	K202	K202-Q204 PolarHBondContact O-N 3.3Å; K202-Q204 VanDerWaalsContact O-N 3.15Å
205	L	36.8	Very low	39.2	Very low	104 Å²	104	114.5 Å²	114.5	55%	0.545	59%	0.585	S	S	.	*			trans	-111.6	50.4	174.5	-134.5	142	0	0	0	110.2	I196 N200 L208	I196-L205 HydrophobicContact CG2-CD1 4.35Å; N200-L205 VanDerWaalsContact OD1-CD1 3.27Å; N200-L205 WeakPolarHBondContact OD1-CD1 3.47Å; L205-L208 HydrophobicContact CD2-CD1 3.79Å
206	K	34	Very low	38.6	Very low	203 Å²	203	118 Å²	118	88%	0.883	60%	0.599	S	S	*	*			trans	-112.1	28	178	-149.2	-176.2	-177.6	-175.3	0	113.4
207	L	36.4	Very low	37.6	Very low	157 Å²	157	122.7 Å²	122.7	82%	0.822	62%	0.619	S	S	*	*	S	Bend	trans	-115.7	11.4	-177.4	-95.1	162.8	0	0	0	114.5
208	L	35.2	Very low	36.9	Very low	97 Å²	97	121.9 Å²	121.9	51%	0.508	62%	0.616	S	S	.	*	S	Bend	trans	-117.5	23.2	-166.8	-66.1	-177.1	0	0	0	116.4	Y187 L205	Y187-L208 HydrophobicContact CE1-CD1 4.21Å; Y187-L208 HydrophobicContact CE1-CD2 4.09Å; Y187-L208 VanDerWaalsContact OH-CD2 3.22Å; Y187-L208 WeakPolarHBondContact OH-CD2 3.38Å; L205-L208 HydrophobicContact CD2-CD1 3.79Å
209	S	31.3	Very low	36.2	Very low	108 Å²	108	123 Å²	123	76%	0.755	62%	0.619	S	S	*	*			trans	-135.5	22.3	-175.3	70.3	0	0	0	0	117.4
210	E	32.6	Very low	35.8	Very low	173 Å²	173	128.6 Å²	128.6	81%	0.808	64%	0.644	S	S	*	*			trans	-115	113.8	170.6	-69.1	-161.4	179.1	0	0	111.8	T212	E210-T212 PolarHBondContact O-N 2.92Å
211	P	31.2	Very low	35.5	Very low	81 Å²	81	129.4 Å²	129.4	53%	0.526	65%	0.647	S	S	.	*			trans	-71.2	112.8	172.2	28.6	-28.4	0	0	0	107.8	N170	N170-P211 VanDerWaalsContact OD1-CG 3.31Å; N170-P211 WeakPolarHBondContact OD1-CG 3.38Å
212	T	30.6	Very low	35.8	Very low	93 Å²	93	122.4 Å²	122.4	57%	0.571	62%	0.615	S	S	*	*			trans	-86.8	120	170.3	35.9	0	0	0	0	107.5	E210 I214	E210-T212 PolarHBondContact O-N 2.92Å; T212-I214 VanDerWaalsContact CB-CG1 3.47Å; T212-I214 PolarHBondContact O-N 3.34Å; T212-I214 WeakPolarHBondContact OG1-CD1 3.26Å; T212-I214 WeakPolarHBondContact OG1-CG1 3.48Å
213	N	29.1	Very low	35.9	Very low	136 Å²	136	118.7 Å²	118.7	73%	0.727	61%	0.607	S	S	*	*			trans	-63.1	76.6	157.5	-93.5	-27.7	0	0	0	107.3	I215	N213-I215 PolarHBondContact O-N 3.16Å; N213-I215 VanDerWaalsContact O-N 3.08Å
214	I	32.1	Very low	36	Very low	72 Å²	72	113 Å²	113	37%	0.369	58%	0.576	S	S	.	*			trans	-77.3	99.3	178	-56.9	178.3	0	0	0	106.8	T212 Y216	T212-I214 VanDerWaalsContact CB-CG1 3.47Å; T212-I214 PolarHBondContact O-N 3.34Å; T212-I214 WeakPolarHBondContact OG1-CD1 3.26Å; T212-I214 WeakPolarHBondContact OG1-CG1 3.48Å; I214-Y216 HydrophobicContact CB-CE1 4.25Å; I214-Y216 HydrophobicContact CG2-CD1 3.8Å; I214-Y216 HydrophobicContact CG2-CE1 3.59Å; I214-Y216 HydrophobicContact CG2-CG 4.44Å; I214-Y216 PolarHBondContact O-N 3.18Å
215	I	31.1	Very low	36.3	Very low	130 Å²	130	109.3 Å²	109.3	67%	0.667	57%	0.565	S	S	*	*			trans	-69.2	112.1	158.1	-61.2	174	0	0	0	105.9	N213 H217	N213-I215 PolarHBondContact O-N 3.16Å; N213-I215 VanDerWaalsContact O-N 3.08Å; I215-H217 PolarHBondContact O-CD2 3.01Å; I215-H217 PolarHBondContact O-N 2.85Å
216	Y	39	Very low	36.6	Very low	77 Å²	77	107.5 Å²	107.5	30%	0.302	56%	0.556	S	S	.	*			trans	-68.8	96.5	175.7	-62.2	-70	0	0	0	109.5	I214 F218 P246 I269	I214-Y216 HydrophobicContact CB-CE1 4.25Å; I214-Y216 HydrophobicContact CG2-CD1 3.8Å; I214-Y216 HydrophobicContact CG2-CE1 3.59Å; I214-Y216 HydrophobicContact CG2-CG 4.44Å; I214-Y216 PolarHBondContact O-N 3.18Å; Y216-F218 PolarHBondContact O-N 3.31Å; Y216-P246 HydrophobicContact CD1-CG 4.29Å; Y216-P246 HydrophobicContact CG-CG 4.25Å; Y216-I269 HydrophobicContact CD1-CG2 4.47Å; Y216-I269 HydrophobicContact CE1-CB 3.68Å; Y216-I269 HydrophobicContact CE1-CD1 4.38Å; Y216-I269 HydrophobicContact CE1-CG2 3.38Å; Y216-I269 WeakPolarHBondContact OH-CA 3.43Å; Y216-I269 WeakPolarHBondContact OH-CB 3.38Å; Y216-I269 PolarHBondContact OH-O 2.95Å; Y216-I269 VanDerWaalsContact OH-O 3.11Å
217	H	35.7	Very low	37.3	Very low	141 Å²	141	105.2 Å²	105.2	65%	0.653	55%	0.553	S	S	*	*			trans	-72.3	112	160.8	-66.6	-79.9	0	0	0	107.2	I215 N219	I215-H217 PolarHBondContact O-CD2 3.01Å; I215-H217 PolarHBondContact O-N 2.85Å; H217-N219 VanDerWaalsContact C-N 3.3Å; H217-N219 PolarHBondContact O-N 2.92Å
218	F	40.2	Very low	38.1	Very low	65 Å²	65	105.4 Å²	105.4	29%	0.285	56%	0.555	S	S	.	*			trans	-59.5	103.5	156.2	-66.4	-87	0	0	0	105.3	Y216 E220 Y245 P246 P479	Y216-F218 PolarHBondContact O-N 3.31Å; F218-E220 PolarHBondContact O-N 2.92Å; F218-Y245 HydrophobicContact CE1-CD2 4.3Å; F218-Y245 HydrophobicContact CZ-CE2 4.46Å; F218-P246 HydrophobicContact CD1-CB 4.24Å; F218-P246 HydrophobicContact CE1-CB 3.78Å; F218-P246 HydrophobicContact CZ-CB 4.23Å; F218-P479 HydrophobicContact CD1-CG 4.15Å; F218-P479 HydrophobicContact CE1-CG 3.58Å; F218-P479 HydrophobicContact CZ-CG 3.82Å
219	N	39.4	Very low	38.2	Very low	107 Å²	107	108.1 Å²	108.1	57%	0.572	56%	0.563	S	S	*	*			trans	-52.9	118.3	172.4	-77.9	-15.9	0	0	0	107	H217 I221	H217-N219 VanDerWaalsContact C-N 3.3Å; H217-N219 PolarHBondContact O-N 2.92Å; N219-I221 PolarHBondContact O-N 3.29Å; N219-I221 VanDerWaalsContact O-N 3.08Å
220	E	41.3	Very low	38.5	Very low	160 Å²	160	107.3 Å²	107.3	75%	0.748	56%	0.557	S	S	*	*	S	Bend	trans	-63.7	-21.8	-166.3	-65.5	-175.1	152.2	0	0	112.7	F218 T234 K235	F218-E220 PolarHBondContact O-N 2.92Å; E220-T234 VanDerWaalsContact O-CA 3.31Å; E220-T234 WeakPolarHBondContact O-CA 3.37Å; E220-K235 PolarHBondContact O-N 3.08Å
221	I	40.8	Very low	39.1	Very low	111 Å²	111	101.5 Å²	101.5	57%	0.569	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	131.3	-176.3	-47.3	-176.9	0	0	0	108.9	N219 Y233 T234	N219-I221 PolarHBondContact O-N 3.29Å; N219-I221 VanDerWaalsContact O-N 3.08Å; I221-Y233 CarbonylContact C-O 3.51Å; I221-Y233 VanDerWaalsContact CA-O 3.28Å; I221-Y233 WeakPolarHBondContact CA-O 3.43Å; I221-T234 HydrophobicContact CG1-CG2 4.21Å
222	Y	46.6	Very low	39.5	Very low	41 Å²	41	100.8 Å²	100.8	16%	0.161	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.6	168.6	76.4	-91.1	0	0	0	112.9	E224 S232 Y233 H244 Y248	Y222-E224 HydrophobicContact CD2-CG 4.3Å; Y222-E224 HydrophobicContact CE2-CG 3.94Å; Y222-S232 CarbonylContact O-C 3.45Å; Y222-S232 WeakPolarHBondContact O-CA 3.47Å; Y222-Y233 AromaticContact CD2-CD2 3.93Å; Y222-Y233 HydrophobicContact CD2-CD2 3.93Å; Y222-Y233 HydrophobicContact CE1-CD2 4.36Å; Y222-Y233 HydrophobicContact CE1-CG 4.23Å; Y222-Y233 AromaticContact CE2-CD2 3.39Å; Y222-Y233 HydrophobicContact CE2-CD2 3.39Å; Y222-Y233 HydrophobicContact CE2-CE2 4.11Å; Y222-Y233 HydrophobicContact CE2-CG 4.05Å; Y222-Y233 AromaticContact CZ-CD2 3.63Å; Y222-Y233 AromaticContact CZ-CG 3.79Å; Y222-Y233 PolarHBondContact N-O 2.77Å; Y222-Y233 PolarHBondContact O-N 2.74Å; Y222-H244 AromaticContact CZ-CD2 3.81Å; Y222-H244 PolarHBondContact OH-CD2 2.88Å; Y222-Y248 HydrophobicContact CD1-CD1 4.2Å; Y222-Y248 HydrophobicContact CD1-CE1 4.03Å; Y222-Y248 HydrophobicContact CE1-CD1 4.26Å; Y222-Y248 AromaticContact CE1-CE1 3.88Å; Y222-Y248 HydrophobicContact CE1-CE1 3.88Å
223	T	39.2	Very low	40.4	Very low	92 Å²	92	96.9 Å²	96.9	56%	0.564	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.8	-174.9	14.4	0	0	0	0	111.7	V231 S232	T223-V231 CarbonylContact C-O 3.48Å; T223-V231 VanDerWaalsContact CA-O 3.26Å; T223-V231 WeakPolarHBondContact CA-O 3.03Å; T223-S232 WeakPolarHBondContact CG2-OG 2.93Å
224	E	39.6	Very low	41.2	Very low	43 Å²	43	93.1 Å²	93.1	20%	0.201	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.8	166.4	-69	-179.3	173	0	0	111.2	Y222 S230 V231 Y233 H244	Y222-E224 HydrophobicContact CD2-CG 4.3Å; Y222-E224 HydrophobicContact CE2-CG 3.94Å; E224-S230 CarbonylContact O-C 3.6Å; E224-S230 WeakPolarHBondContact O-CA 3.31Å; E224-V231 PolarHBondContact N-O 3.35Å; E224-V231 PolarHBondContact O-N 3.32Å; E224-Y233 HydrophobicContact CB-CE2 4Å; E224-Y233 HydrophobicContact CG-CE2 4.14Å; E224-H244 IonicContact OE1-CD2 3.67Å; E224-H244 IonicContact OE1-CE1 3.18Å; E224-H244 IonicContact OE1-NE2 3.42Å; E224-H244 PolarHBondContact OE1-NE2 3.39Å
225	T	39.1	Very low	41.6	Very low	104 Å²	104	96 Å²	96	64%	0.638	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	103	171.8	-54.6	0	0	0	0	109.8	K229	T225-K229 CarbonylContact C-O 3.46Å; T225-K229 VanDerWaalsContact CA-O 3.3Å; T225-K229 WeakPolarHBondContact CA-O 3.5Å
226	I	43.8	Very low	42.2	Very low	67 Å²	67	95.6 Å²	95.6	34%	0.344	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.7	174.4	-58.1	175.9	0	0	0	108.1	N228 K229 Y233	I226-N228 VanDerWaalsContact C-N 3.28Å; I226-N228 PolarHBondContact O-N 3.49Å; I226-K229 PolarHBondContact N-O 3.05Å; I226-K229 WeakPolarHBondContact O-CB 3.49Å; I226-K229 PolarHBondContact O-N 2.98Å; I226-Y233 WeakPolarHBondContact CD1-OH 3.28Å
227	N	49.2	Very low	42.5	Very low	155 Å²	155	95 Å²	95	83%	0.829	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	47.6	-179	-61.7	-20	0	0	0	112.8	K229	N227-K229 PolarHBondContact O-N 3.12Å
228	N	53.8	Low	42.8	Very low	160 Å²	160	95.1 Å²	95.1	86%	0.856	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	17.2	-175.1	-67.8	-5.9	0	0	0	115.7	I226	I226-N228 VanDerWaalsContact C-N 3.28Å; I226-N228 PolarHBondContact O-N 3.49Å
229	K	37.1	Very low	43	Very low	155 Å²	155	97 Å²	97	67%	0.674	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.7	170.4	-65.8	-174.3	178.2	-176.9	0	110.5	T225 I226 N227 V231	T225-K229 CarbonylContact C-O 3.46Å; T225-K229 VanDerWaalsContact CA-O 3.3Å; T225-K229 WeakPolarHBondContact CA-O 3.5Å; I226-K229 PolarHBondContact N-O 3.05Å; I226-K229 WeakPolarHBondContact O-CB 3.49Å; I226-K229 PolarHBondContact O-N 2.98Å; N227-K229 PolarHBondContact O-N 3.12Å; K229-V231 PolarHBondContact O-N 3Å
230	S	37.6	Very low	43.2	Very low	91 Å²	91	93.5 Å²	93.5	64%	0.636	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.4	168.9	55.9	0	0	0	0	109.9	E224	E224-S230 CarbonylContact O-C 3.6Å; E224-S230 WeakPolarHBondContact O-CA 3.31Å
231	V	43.8	Very low	43.5	Very low	50 Å²	50	86.2 Å²	86.2	30%	0.303	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.8	174.8	-173.5	0	0	0	0	107.9	T223 E224 K229 Y233	T223-V231 CarbonylContact C-O 3.48Å; T223-V231 VanDerWaalsContact CA-O 3.26Å; T223-V231 WeakPolarHBondContact CA-O 3.03Å; E224-V231 PolarHBondContact N-O 3.35Å; E224-V231 PolarHBondContact O-N 3.32Å; K229-V231 PolarHBondContact O-N 3Å; V231-Y233 HydrophobicContact CB-CE2 3.87Å; V231-Y233 HydrophobicContact CG1-CD1 4.38Å; V231-Y233 HydrophobicContact CG1-CD2 4.49Å; V231-Y233 HydrophobicContact CG1-CE1 3.63Å; V231-Y233 HydrophobicContact CG1-CE2 3.8Å; V231-Y233 WeakPolarHBondContact CG1-OH 3.16Å; V231-Y233 WeakPolarHBondContact O-CD2 3.28Å; V231-Y233 VanDerWaalsContact O-CE2 3.25Å; V231-Y233 WeakPolarHBondContact O-CE2 3.37Å
232	S	40.6	Very low	44	Very low	66 Å²	66	81.2 Å²	81.2	46%	0.462	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.9	173.6	-47.6	0	0	0	0	110.3	Y222 T223 N237	Y222-S232 CarbonylContact O-C 3.45Å; Y222-S232 WeakPolarHBondContact O-CA 3.47Å; T223-S232 WeakPolarHBondContact CG2-OG 2.93Å; S232-N237 PolarHBondContact O-ND2 3.11Å
233	Y	49.7	Very low	44.1	Very low	12 Å²	12	84 Å²	84	5%	0.047	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.7	178	-57.6	-80.8	0	0	0	109.4	I221 Y222 E224 I226 V231 N237 I240	I221-Y233 CarbonylContact C-O 3.51Å; I221-Y233 VanDerWaalsContact CA-O 3.28Å; I221-Y233 WeakPolarHBondContact CA-O 3.43Å; Y222-Y233 AromaticContact CD2-CD2 3.93Å; Y222-Y233 HydrophobicContact CD2-CD2 3.93Å; Y222-Y233 HydrophobicContact CE1-CD2 4.36Å; Y222-Y233 HydrophobicContact CE1-CG 4.23Å; Y222-Y233 AromaticContact CE2-CD2 3.39Å; Y222-Y233 HydrophobicContact CE2-CD2 3.39Å; Y222-Y233 HydrophobicContact CE2-CE2 4.11Å; Y222-Y233 HydrophobicContact CE2-CG 4.05Å; Y222-Y233 AromaticContact CZ-CD2 3.63Å; Y222-Y233 AromaticContact CZ-CG 3.79Å; Y222-Y233 PolarHBondContact N-O 2.77Å; Y222-Y233 PolarHBondContact O-N 2.74Å; E224-Y233 HydrophobicContact CB-CE2 4Å; E224-Y233 HydrophobicContact CG-CE2 4.14Å; I226-Y233 WeakPolarHBondContact CD1-OH 3.28Å; V231-Y233 HydrophobicContact CB-CE2 3.87Å; V231-Y233 HydrophobicContact CG1-CD1 4.38Å; V231-Y233 HydrophobicContact CG1-CD2 4.49Å; V231-Y233 HydrophobicContact CG1-CE1 3.63Å; V231-Y233 HydrophobicContact CG1-CE2 3.8Å; V231-Y233 WeakPolarHBondContact CG1-OH 3.16Å; V231-Y233 WeakPolarHBondContact O-CD2 3.28Å; V231-Y233 VanDerWaalsContact O-CE2 3.25Å; V231-Y233 WeakPolarHBondContact O-CE2 3.37Å; Y233-N237 WeakPolarHBondContact CA-ND2 3.47Å; Y233-N237 HydrophobicContact CD1-CB 4.01Å; Y233-I240 HydrophobicContact CD1-CD1 4.46Å; Y233-I240 HydrophobicContact CE1-CB 4.28Å; Y233-I240 HydrophobicContact CE1-CD1 3.46Å; Y233-I240 VanDerWaalsContact CE1-CD1 3.46Å; Y233-I240 HydrophobicContact CE1-CG1 4.07Å; Y233-I240 WeakPolarHBondContact OH-CD1 3.24Å
234	T	44.5	Very low	44.8	Very low	57 Å²	57	80.8 Å²	80.8	35%	0.35	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	165.6	167.5	60.6	0	0	0	0	109.4	E220 I221 D236 N237	E220-T234 VanDerWaalsContact O-CA 3.31Å; E220-T234 WeakPolarHBondContact O-CA 3.37Å; I221-T234 HydrophobicContact CG1-CG2 4.21Å; T234-D236 PolarHBondContact O-N 2.64Å; T234-N237 PolarHBondContact O-N 2.83Å
235	K	41.2	Very low	45.6	Very low	131 Å²	131	78.9 Å²	78.9	57%	0.57	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-27.2	169.6	-172.8	178	178.1	179.6	0	113.2	E220	E220-K235 PolarHBondContact O-N 3.08Å
236	D	44.2	Very low	46.2	Very low	122 Å²	122	74.3 Å²	74.3	65%	0.652	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.5	179.6	-64.9	-39.1	0	0	0	115.2	T234 K238	T234-D236 PolarHBondContact O-N 2.64Å; D236-K238 WeakPolarHBondContact O-CG 3.43Å; D236-K238 PolarHBondContact O-N 3.16Å
237	N	44.9	Very low	47.2	Very low	64 Å²	64	72.7 Å²	72.7	34%	0.342	39%	0.385	S	S	.	.			trans	-74.4	84	172	-89.9	-1.9	0	0	0	110.1	S232 Y233 T234 S239	S232-N237 PolarHBondContact O-ND2 3.11Å; Y233-N237 WeakPolarHBondContact CA-ND2 3.47Å; Y233-N237 HydrophobicContact CD1-CB 4.01Å; T234-N237 PolarHBondContact O-N 2.83Å; N237-S239 PolarHBondContact O-N 3.42Å
238	K	43	Very low	47.9	Very low	145 Å²	145	68.1 Å²	68.1	63%	0.63	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-13.5	-172.8	-71.6	165.2	-170.8	179	0	116.6	D236 Y482	D236-K238 WeakPolarHBondContact O-CG 3.43Å; D236-K238 PolarHBondContact O-N 3.16Å; K238-Y482 WeakPolarHBondContact O-CD2 3.27Å
239	S	42.7	Very low	48.9	Very low	104 Å²	104	61.9 Å²	61.9	73%	0.727	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-12.6	-165.3	53.5	0	0	0	0	116.5	N237	N237-S239 PolarHBondContact O-N 3.42Å
240	I	45.3	Very low	51	Low	34 Å²	34	57.2 Å²	57.2	17%	0.174	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-3.2	-172.1	-50.4	-166.7	0	0	0	114.2	Y233 G242 R243	Y233-I240 HydrophobicContact CD1-CD1 4.46Å; Y233-I240 HydrophobicContact CE1-CB 4.28Å; Y233-I240 HydrophobicContact CE1-CD1 3.46Å; Y233-I240 VanDerWaalsContact CE1-CD1 3.46Å; Y233-I240 HydrophobicContact CE1-CG1 4.07Å; Y233-I240 WeakPolarHBondContact OH-CD1 3.24Å; I240-G242 PolarHBondContact O-N 3.22Å; I240-R243 HydrophobicContact CG2-CG 4.36Å; I240-R243 PolarHBondContact O-N 3.37Å
241	G	47.1	Very low	53.4	Low	6 Å²	6	52.9 Å²	52.9	6%	0.062	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-52.5	-23.1	-169.6	0	0	0	0	0	118.1	R243 Y480	G241-R243 VanDerWaalsContact C-N 3.31Å; G241-R243 PolarHBondContact O-N 3.46Å; G241-Y480 VanDerWaalsContact CA-CD1 3.46Å; G241-Y480 VanDerWaalsContact CA-CE1 3.48Å; G241-Y480 VanDerWaalsContact O-CD2 3.27Å; G241-Y480 WeakPolarHBondContact O-CD2 3.34Å; G241-Y480 WeakPolarHBondContact O-CE2 3.4Å
242	G	50.8	Low	55.4	Low	6 Å²	6	52.6 Å²	52.6	6%	0.062	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-68.3	-19.9	179.3	0	0	0	0	0	116.1	I240 H244	I240-G242 PolarHBondContact O-N 3.22Å; G242-H244 VanDerWaalsContact C-N 3.32Å; G242-H244 PolarHBondContact O-N 3.03Å
243	R	49.6	Very low	57.5	Low	101 Å²	101	55.5 Å²	55.5	38%	0.381	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-77.4	-16.2	-175.6	-66	-167.5	-153.9	172.7	7.9	114.1	I240 G241 R525	I240-R243 HydrophobicContact CG2-CG 4.36Å; I240-R243 PolarHBondContact O-N 3.37Å; G241-R243 VanDerWaalsContact C-N 3.31Å; G241-R243 PolarHBondContact O-N 3.46Å; R243-R525 VanDerWaalsContact O-CG 3.23Å; R243-R525 WeakPolarHBondContact O-CG 3.21Å
244	H	53	Low	59.2	Low	23 Å²	23	55.4 Å²	55.4	11%	0.106	28%	0.278	C	S	.	.			trans	-145.5	87.6	-172.5	-57.2	-77.2	0	0	0	110.6	Y222 E224 G242 Y248 Y480	Y222-H244 AromaticContact CZ-CD2 3.81Å; Y222-H244 PolarHBondContact OH-CD2 2.88Å; E224-H244 IonicContact OE1-CD2 3.67Å; E224-H244 IonicContact OE1-CE1 3.18Å; E224-H244 IonicContact OE1-NE2 3.42Å; E224-H244 PolarHBondContact OE1-NE2 3.39Å; G242-H244 VanDerWaalsContact C-N 3.32Å; G242-H244 PolarHBondContact O-N 3.03Å; H244-Y248 HydrophobicContact CB-CD1 3.11Å; H244-Y248 HydrophobicContact CB-CE1 3.15Å; H244-Y248 HydrophobicContact CB-CG 4.01Å; H244-Y248 AromaticContact CG-CD1 3.66Å; H244-Y248 WeakPolarHBondContact O-CE1 3.16Å; H244-Y248 PolarHBondContact O-OH 2.89Å; H244-Y480 PolarHBondContact O-OH 3.47Å
245	Y	55.6	Low	61.2	Low	4 Å²	4	53.1 Å²	53.1	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	-131.9	115.5	-179.6	175.8	-105.6	0	0	0	108.9	F218 E477 Y478 Y480 T509 Q510 I521 R525	F218-Y245 HydrophobicContact CE1-CD2 4.3Å; F218-Y245 HydrophobicContact CZ-CE2 4.46Å; Y245-E477 WeakPolarHBondContact CE2-O 3.35Å; Y245-E477 VanDerWaalsContact CZ-O 3.3Å; Y245-E477 PolarHBondContact OH-O 2.84Å; Y245-Y478 HydrophobicContact CD1-CD2 4.48Å; Y245-Y478 AromaticContact CD2-CD2 3.73Å; Y245-Y478 HydrophobicContact CD2-CD2 3.73Å; Y245-Y478 HydrophobicContact CD2-CE2 4.07Å; Y245-Y478 HydrophobicContact CE1-CD2 4.35Å; Y245-Y478 AromaticContact CE2-CD2 3.64Å; Y245-Y478 HydrophobicContact CE2-CD2 3.64Å; Y245-Y478 HydrophobicContact CE2-CE2 4.43Å; Y245-Y478 HydrophobicContact CE2-CG 4.45Å; Y245-Y478 HydrophobicContact CG-CD2 4.18Å; Y245-Y478 HydrophobicContact CG-CE2 4.23Å; Y245-Y478 AromaticContact CZ-CD2 3.98Å; Y245-Y480 HydrophobicContact CD2-CE2 4.44Å; Y245-T509 HydrophobicContact CD1-CG2 4.25Å; Y245-Q510 HydrophobicContact CD1-CB 4.06Å; Y245-Q510 HydrophobicContact CE1-CB 3.59Å; Y245-Q510 HydrophobicContact CE1-CG 4.03Å; Y245-Q510 WeakPolarHBondContact CE1-O 3.4Å; Y245-I521 HydrophobicContact CD1-CD1 4.25Å; Y245-I521 HydrophobicContact CD1-CG2 4.29Å; Y245-R525 PolarHBondContact O-NH1 3.47Å
246	P	53.4	Low	63.3	Low	8 Å²	8	51.3 Å²	51.3	5%	0.052	26%	0.26	C	S	.	.	B	Isolated β-bridge	cis	-97.9	1.8	-34.7	35.4	-36.3	0	0	0	112.6	Y216 F218 Y248 I269 Q510	Y216-P246 HydrophobicContact CD1-CG 4.29Å; Y216-P246 HydrophobicContact CG-CG 4.25Å; F218-P246 HydrophobicContact CD1-CB 4.24Å; F218-P246 HydrophobicContact CE1-CB 3.78Å; F218-P246 HydrophobicContact CZ-CB 4.23Å; P246-Y248 WeakPolarHBondContact O-CD2 3.04Å; P246-Y248 WeakPolarHBondContact O-CE2 3.02Å; P246-I269 HydrophobicContact CG-CD1 3.94Å; P246-Q510 HydrophobicContact CG-CB 3.73Å
247	K	63.9	Low	65	Low	33 Å²	33	47.2 Å²	47.2	14%	0.143	24%	0.243	C	C	.	.	S	Bend	trans	-86.8	120	170.8	-160.3	166.8	161.9	157.2	0	110.4	F249 E266 V267 I269 F508 R525	K247-F249 HydrophobicContact CB-CD1 4.41Å; K247-F249 HydrophobicContact CB-CE1 4.16Å; K247-F249 HydrophobicContact CD-CD1 4.2Å; K247-F249 HydrophobicContact CD-CE1 3.77Å; K247-F249 HydrophobicContact CG-CD1 3.78Å; K247-F249 HydrophobicContact CG-CE1 3.72Å; K247-E266 WeakPolarHBondContact CE-OE2 3.45Å; K247-E266 IonicContact NZ-OE2 2.79Å; K247-E266 PolarHBondContact NZ-OE2 3.35Å; K247-V267 PolarHBondContact NZ-O 3.08Å; K247-I269 HydrophobicContact CB-CD1 4.14Å; K247-I269 HydrophobicContact CB-CG1 4.44Å; K247-I269 HydrophobicContact CB-CG2 4.04Å; K247-I269 HydrophobicContact CD-CG2 3.45Å; K247-I269 VanDerWaalsContact CD-CG2 3.45Å; K247-I269 HydrophobicContact CG-CG2 4.22Å; K247-F508 HydrophobicContact CD-CD1 4.25Å; K247-R525 VanDerWaalsContact O-CZ 3.24Å; K247-R525 PolarHBondContact O-NH1 2.84Å; K247-R525 PolarHBondContact O-NH2 3.48Å
248	Y	65.2	Low	66.5	Low	58 Å²	58	44.3 Å²	44.3	23%	0.227	23%	0.228	C	C	.	.			trans	-98.2	93.2	-171.4	-65.2	-97.3	0	0	0	111.1	Y222 H244 P246 Y480	Y222-Y248 HydrophobicContact CD1-CD1 4.2Å; Y222-Y248 HydrophobicContact CD1-CE1 4.03Å; Y222-Y248 HydrophobicContact CE1-CD1 4.26Å; Y222-Y248 AromaticContact CE1-CE1 3.88Å; Y222-Y248 HydrophobicContact CE1-CE1 3.88Å; H244-Y248 HydrophobicContact CB-CD1 3.11Å; H244-Y248 HydrophobicContact CB-CE1 3.15Å; H244-Y248 HydrophobicContact CB-CG 4.01Å; H244-Y248 AromaticContact CG-CD1 3.66Å; H244-Y248 WeakPolarHBondContact O-CE1 3.16Å; H244-Y248 PolarHBondContact O-OH 2.89Å; P246-Y248 WeakPolarHBondContact O-CD2 3.04Å; P246-Y248 WeakPolarHBondContact O-CE2 3.02Å; Y248-Y480 PolarHBondContact OH-OH 3.43Å
249	F	73.7	Confident	68.2	Low	30 Å²	30	41.7 Å²	41.7	13%	0.132	23%	0.228	C	C	.	.	S	Bend	trans	-156.1	158.5	168.8	65.7	-81.7	0	0	0	110.2	K247 M251 Y254 E266 F508	K247-F249 HydrophobicContact CB-CD1 4.41Å; K247-F249 HydrophobicContact CB-CE1 4.16Å; K247-F249 HydrophobicContact CD-CD1 4.2Å; K247-F249 HydrophobicContact CD-CE1 3.77Å; K247-F249 HydrophobicContact CG-CD1 3.78Å; K247-F249 HydrophobicContact CG-CE1 3.72Å; F249-M251 HydrophobicContact CE2-SD 3.71Å; F249-M251 HydrophobicContact CZ-SD 3.78Å; F249-M251 PolarHBondContact O-N 2.95Å; F249-Y254 HydrophobicContact CD2-CD2 4.21Å; F249-Y254 HydrophobicContact CD2-CG 4.23Å; F249-Y254 HydrophobicContact CE2-CD1 4.21Å; F249-Y254 AromaticContact CE2-CD2 3.73Å; F249-Y254 HydrophobicContact CE2-CD2 3.73Å; F249-Y254 HydrophobicContact CE2-CE2 4.41Å; F249-Y254 AromaticContact CE2-CG 3.59Å; F249-Y254 HydrophobicContact CE2-CG 3.59Å; F249-E266 HydrophobicContact CD1-CG 4.2Å; F249-E266 HydrophobicContact CD2-CG 4.32Å; F249-E266 HydrophobicContact CE1-CB 4.43Å; F249-E266 HydrophobicContact CE1-CG 4.34Å; F249-E266 HydrophobicContact CE2-CG 4.46Å; F249-E266 HydrophobicContact CG-CG 4.19Å; F249-E266 HydrophobicContact CZ-CB 4.38Å; F249-E266 HydrophobicContact CZ-CG 4.46Å; F249-F508 HydrophobicContact CE1-CB 3.9Å; F249-F508 AromaticContact CE1-CD1 3.8Å; F249-F508 HydrophobicContact CE1-CD1 3.8Å; F249-F508 HydrophobicContact CE1-CG 4.01Å; F249-F508 HydrophobicContact CZ-CB 3.72Å; F249-F508 AromaticContact CZ-CD1 3.54Å; F249-F508 HydrophobicContact CZ-CD1 3.54Å; F249-F508 HydrophobicContact CZ-CD2 4.1Å; F249-F508 HydrophobicContact CZ-CE1 4.14Å; F249-F508 AromaticContact CZ-CG 3.53Å; F249-F508 HydrophobicContact CZ-CG 3.53Å
250	N	81.8	Confident	69.7	Low	56 Å²	56	42.4 Å²	42.4	30%	0.299	22%	0.223	S	C	.	.			trans	-71.1	103.4	178.6	-174.5	-20.2	0	0	0	110.2	T252 E253 Y254	N250-T252 VanDerWaalsContact C-N 3.26Å; N250-T252 PolarHBondContact O-N 2.7Å; N250-T252 WeakPolarHBondContact OD1-CB 3.07Å; N250-T252 PolarHBondContact OD1-N 3.4Å; N250-E253 HydrophobicContact CB-CB 3.97Å; N250-E253 HydrophobicContact CB-CG 4.13Å; N250-E253 WeakPolarHBondContact ND2-CG 2.88Å; N250-E253 PolarHBondContact ND2-OE1 3.14Å; N250-E253 PolarHBondContact O-N 3.43Å; N250-E253 PolarHBondContact OD1-N 2.78Å; N250-E253 VanDerWaalsContact OD1-N 3.12Å; N250-Y254 WeakPolarHBondContact O-CB 3.39Å; N250-Y254 PolarHBondContact O-N 3.29Å
251	M	86.9	Confident	70.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-32	-178.2	-165.5	68.3	-138.1	0	0	112.5	F249 Y254 L255 V504 T505 F508 L526	F249-M251 HydrophobicContact CE2-SD 3.71Å; F249-M251 HydrophobicContact CZ-SD 3.78Å; F249-M251 PolarHBondContact O-N 2.95Å; M251-Y254 HydrophobicContact CE-CD1 3.54Å; M251-Y254 HydrophobicContact CE-CE1 4.05Å; M251-Y254 HydrophobicContact CE-CG 4.39Å; M251-L255 HydrophobicContact CE-CD1 4.36Å; M251-L255 HydrophobicContact CE-CD2 4.16Å; M251-L255 HydrophobicContact CE-CG 3.93Å; M251-L255 HydrophobicContact CG-CD1 4.47Å; M251-L255 WeakPolarHBondContact O-CB 3.47Å; M251-L255 WeakPolarHBondContact O-CG 3.01Å; M251-L255 PolarHBondContact O-N 3.34Å; M251-V504 HydrophobicContact CE-CB 4.36Å; M251-V504 HydrophobicContact CE-CG1 3.65Å; M251-T505 HydrophobicContact CG-CG2 3.76Å; M251-T505 WeakPolarHBondContact CG-OG1 3.37Å; M251-T505 HydrophobicContact SD-CG2 4.18Å; M251-F508 HydrophobicContact CE-CD2 3.84Å; M251-F508 HydrophobicContact CE-CE2 4.16Å; M251-F508 HydrophobicContact SD-CB 4.31Å; M251-F508 HydrophobicContact SD-CD2 3.99Å; M251-F508 HydrophobicContact SD-CG 4.42Å; M251-L526 HydrophobicContact CB-CD2 4.42Å; M251-L526 HydrophobicContact CG-CD2 3.9Å
252	T	86.3	Confident	71.7	Confident	45 Å²	45	46.9 Å²	46.9	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-69.5	-44.8	177.4	-53.4	0	0	0	0	111.2	N250 Y254 L255 N256 L526	N250-T252 VanDerWaalsContact C-N 3.26Å; N250-T252 PolarHBondContact O-N 2.7Å; N250-T252 WeakPolarHBondContact OD1-CB 3.07Å; N250-T252 PolarHBondContact OD1-N 3.4Å; T252-Y254 VanDerWaalsContact C-N 3.31Å; T252-Y254 PolarHBondContact O-N 3.19Å; T252-L255 PolarHBondContact O-N 2.81Å; T252-N256 WeakPolarHBondContact O-CB 3.27Å; T252-N256 PolarHBondContact O-N 3Å; T252-N256 PolarHBondContact O-ND2 3.24Å; T252-L526 PolarHBondContact OG1-O 3.4Å
253	E	84.4	Confident	72.3	Confident	126 Å²	126	50.3 Å²	50.3	59%	0.589	26%	0.264	S	S	*	.	H	α-helix	trans	-62.3	-41.4	174.3	-78.6	168.2	-157.2	0	0	111.5	N250 N256 A257	N250-E253 HydrophobicContact CB-CB 3.97Å; N250-E253 HydrophobicContact CB-CG 4.13Å; N250-E253 WeakPolarHBondContact ND2-CG 2.88Å; N250-E253 PolarHBondContact ND2-OE1 3.14Å; N250-E253 PolarHBondContact O-N 3.43Å; N250-E253 PolarHBondContact OD1-N 2.78Å; N250-E253 VanDerWaalsContact OD1-N 3.12Å; E253-N256 PolarHBondContact O-N 3.42Å; E253-A257 WeakPolarHBondContact O-CB 3.02Å; E253-A257 PolarHBondContact O-N 3.32Å
254	Y	85.8	Confident	73.1	Confident	11 Å²	11	47.9 Å²	47.9	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-50.2	175	-177.9	-90.6	0	0	0	111.7	Y186 F249 N250 M251 T252 N256 A257 M258 P264 E266 V504 F508	Y186-Y254 PolarHBondContact OH-OH 2.91Å; F249-Y254 HydrophobicContact CD2-CD2 4.21Å; F249-Y254 HydrophobicContact CD2-CG 4.23Å; F249-Y254 HydrophobicContact CE2-CD1 4.21Å; F249-Y254 AromaticContact CE2-CD2 3.73Å; F249-Y254 HydrophobicContact CE2-CD2 3.73Å; F249-Y254 HydrophobicContact CE2-CE2 4.41Å; F249-Y254 AromaticContact CE2-CG 3.59Å; F249-Y254 HydrophobicContact CE2-CG 3.59Å; N250-Y254 WeakPolarHBondContact O-CB 3.39Å; N250-Y254 PolarHBondContact O-N 3.29Å; M251-Y254 HydrophobicContact CE-CD1 3.54Å; M251-Y254 HydrophobicContact CE-CE1 4.05Å; M251-Y254 HydrophobicContact CE-CG 4.39Å; T252-Y254 VanDerWaalsContact C-N 3.31Å; T252-Y254 PolarHBondContact O-N 3.19Å; Y254-N256 VanDerWaalsContact C-N 3.33Å; Y254-N256 PolarHBondContact O-N 3.09Å; Y254-A257 PolarHBondContact O-N 3.42Å; Y254-M258 HydrophobicContact CD1-CG 4.15Å; Y254-M258 HydrophobicContact CD1-SD 4.02Å; Y254-M258 HydrophobicContact CE1-CG 3.93Å; Y254-M258 HydrophobicContact CE1-SD 3.3Å; Y254-M258 WeakPolarHBondContact CE1-SD 3.33Å; Y254-M258 VanDerWaalsContact O-CG 3.26Å; Y254-M258 WeakPolarHBondContact O-CG 3.43Å; Y254-M258 PolarHBondContact O-N 3.24Å; Y254-P264 HydrophobicContact CE2-CB 4.06Å; Y254-P264 WeakPolarHBondContact OH-CB 3.37Å; Y254-E266 HydrophobicContact CD2-CB 4.34Å; Y254-E266 HydrophobicContact CD2-CG 4.4Å; Y254-E266 HydrophobicContact CE2-CB 3.77Å; Y254-E266 HydrophobicContact CE2-CG 4.28Å; Y254-E266 PolarHBondContact OH-O 3.15Å; Y254-V504 HydrophobicContact CE1-CG1 4.5Å; Y254-F508 AromaticContact CE1-CE2 3.79Å; Y254-F508 HydrophobicContact CE1-CE2 3.79Å; Y254-F508 AromaticContact CE1-CZ 3.91Å; Y254-F508 HydrophobicContact CE1-CZ 3.91Å; Y254-F508 AromaticContact CZ-CZ 3.65Å; Y254-F508 WeakPolarHBondContact OH-CZ 3.3Å
255	L	86.6	Confident	74	Confident	9 Å²	9	53 Å²	53	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-38.6	177.5	-74.7	169.8	0	0	0	112.7	I191 M251 T252 M258 S259 D501 V504 L526	I191-L255 HydrophobicContact CD1-CD2 4.08Å; M251-L255 HydrophobicContact CE-CD1 4.36Å; M251-L255 HydrophobicContact CE-CD2 4.16Å; M251-L255 HydrophobicContact CE-CG 3.93Å; M251-L255 HydrophobicContact CG-CD1 4.47Å; M251-L255 WeakPolarHBondContact O-CB 3.47Å; M251-L255 WeakPolarHBondContact O-CG 3.01Å; M251-L255 PolarHBondContact O-N 3.34Å; T252-L255 PolarHBondContact O-N 2.81Å; L255-M258 PolarHBondContact O-N 3.07Å; L255-S259 WeakPolarHBondContact O-CB 3.32Å; L255-S259 PolarHBondContact O-N 3.21Å; L255-D501 HydrophobicContact CD1-CB 3.71Å; L255-V504 HydrophobicContact CD2-CB 3.92Å; L255-V504 HydrophobicContact CD2-CG1 3.83Å; L255-V504 HydrophobicContact CD2-CG2 4.08Å; L255-L526 HydrophobicContact CD1-CD2 3.43Å; L255-L526 VanDerWaalsContact CD1-CD2 3.43Å
256	N	85	Confident	74.7	Confident	92 Å²	92	55.6 Å²	55.6	49%	0.492	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-47.6	175.8	-69.7	-17.9	0	0	0	111.1	T252 E253 Y254 M258 S259 D260	T252-N256 WeakPolarHBondContact O-CB 3.27Å; T252-N256 PolarHBondContact O-N 3Å; T252-N256 PolarHBondContact O-ND2 3.24Å; E253-N256 PolarHBondContact O-N 3.42Å; Y254-N256 VanDerWaalsContact C-N 3.33Å; Y254-N256 PolarHBondContact O-N 3.09Å; N256-M258 VanDerWaalsContact C-N 3.29Å; N256-M258 PolarHBondContact O-N 3.18Å; N256-S259 WeakPolarHBondContact O-CB 3.48Å; N256-S259 PolarHBondContact O-N 2.99Å; N256-S259 VanDerWaalsContact O-N 3.11Å; N256-D260 VanDerWaalsContact O-CG 3.3Å; N256-D260 PolarHBondContact O-N 2.93Å
257	A	79.3	Confident	75.6	Confident	37 Å²	37	59.2 Å²	59.2	31%	0.306	32%	0.323	S	S	.	.	H	α-helix	trans	-58.9	-42.3	176.8	0	0	0	0	0	111.5	E253 Y254 D260 G261 F262	E253-A257 WeakPolarHBondContact O-CB 3.02Å; E253-A257 PolarHBondContact O-N 3.32Å; Y254-A257 PolarHBondContact O-N 3.42Å; A257-D260 CarbonylContact O-C 3.45Å; A257-D260 PolarHBondContact O-N 2.87Å; A257-G261 PolarHBondContact O-N 3.37Å; A257-F262 HydrophobicContact CB-CB 4.23Å; A257-F262 HydrophobicContact CB-CD2 4.4Å; A257-F262 WeakPolarHBondContact O-CB 3.3Å; A257-F262 WeakPolarHBondContact O-CD2 3.26Å; A257-F262 PolarHBondContact O-N 3.06Å
258	M	78.2	Confident	76.1	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-44.1	174.2	-70	-151.7	69.5	0	0	112.5	I191 I192 T195 Y254 L255 N256 D260 G261	I191-M258 HydrophobicContact CD1-CB 4.45Å; I191-M258 HydrophobicContact CG1-CB 4.46Å; I192-M258 HydrophobicContact CB-CE 4.39Å; I192-M258 HydrophobicContact CD1-CE 3.14Å; I192-M258 HydrophobicContact CD1-SD 3.36Å; I192-M258 WeakPolarHBondContact CD1-SD 3.36Å; I192-M258 HydrophobicContact CG1-CE 4.3Å; I192-M258 HydrophobicContact CG2-CE 4.41Å; T195-M258 HydrophobicContact CG2-CE 3.96Å; T195-M258 WeakPolarHBondContact OG1-CE 3.37Å; T195-M258 PolarHBondContact OG1-O 3.47Å; Y254-M258 HydrophobicContact CD1-CG 4.15Å; Y254-M258 HydrophobicContact CD1-SD 4.02Å; Y254-M258 HydrophobicContact CE1-CG 3.93Å; Y254-M258 HydrophobicContact CE1-SD 3.3Å; Y254-M258 WeakPolarHBondContact CE1-SD 3.33Å; Y254-M258 VanDerWaalsContact O-CG 3.26Å; Y254-M258 WeakPolarHBondContact O-CG 3.43Å; Y254-M258 PolarHBondContact O-N 3.24Å; L255-M258 PolarHBondContact O-N 3.07Å; N256-M258 VanDerWaalsContact C-N 3.29Å; N256-M258 PolarHBondContact O-N 3.18Å; M258-D260 PolarHBondContact O-N 3.13Å; M258-G261 PolarHBondContact O-N 2.89Å
259	S	77.4	Confident	76.4	Confident	90 Å²	90	56.6 Å²	56.6	63%	0.629	32%	0.316	S	S	*	.	H	α-helix	trans	-62.6	-31.8	176.4	-172.4	0	0	0	0	112.4	L255 N256 G261	L255-S259 WeakPolarHBondContact O-CB 3.32Å; L255-S259 PolarHBondContact O-N 3.21Å; N256-S259 WeakPolarHBondContact O-CB 3.48Å; N256-S259 PolarHBondContact O-N 2.99Å; N256-S259 VanDerWaalsContact O-N 3.11Å; S259-G261 PolarHBondContact O-N 3.34Å
260	D	75.1	Confident	76.3	Confident	118 Å²	118	55.7 Å²	55.7	63%	0.631	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.5	174.8	-66.7	-21.5	0	0	0	112.7	N256 A257 M258 F262	N256-D260 VanDerWaalsContact O-CG 3.3Å; N256-D260 PolarHBondContact O-N 2.93Å; A257-D260 CarbonylContact O-C 3.45Å; A257-D260 PolarHBondContact O-N 2.87Å; M258-D260 PolarHBondContact O-N 3.13Å; D260-F262 HydrophobicContact CB-CD2 3.65Å; D260-F262 HydrophobicContact CB-CE2 3.64Å
261	G	66.9	Low	75.2	Confident	11 Å²	11	55.6 Å²	55.6	11%	0.113	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	13.2	177	0	0	0	0	0	114.9	A257 M258 S259	A257-G261 PolarHBondContact O-N 3.37Å; M258-G261 PolarHBondContact O-N 2.89Å; S259-G261 PolarHBondContact O-N 3.34Å
262	F	66.9	Low	74.1	Confident	124 Å²	124	58.1 Å²	58.1	54%	0.544	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-76.6	144.8	174.3	-64.7	-76.5	0	0	0	111.4	T195 A257 D260	T195-F262 VanDerWaalsContact CG2-O 3.25Å; T195-F262 WeakPolarHBondContact CG2-O 3.4Å; A257-F262 HydrophobicContact CB-CB 4.23Å; A257-F262 HydrophobicContact CB-CD2 4.4Å; A257-F262 WeakPolarHBondContact O-CB 3.3Å; A257-F262 WeakPolarHBondContact O-CD2 3.26Å; A257-F262 PolarHBondContact O-N 3.06Å; D260-F262 HydrophobicContact CB-CD2 3.65Å; D260-F262 HydrophobicContact CB-CE2 3.64Å
263	P	63.2	Low	73.3	Confident	78 Å²	78	58.8 Å²	58.8	51%	0.506	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64.7	142.9	179.8	28	-32	0	0	0	111.5	L199 N265	L199-P263 HydrophobicContact CD1-CB 3.75Å; L199-P263 HydrophobicContact CD2-CB 3.88Å; L199-P263 HydrophobicContact CD2-CG 4.15Å; L199-P263 HydrophobicContact CG-CB 4.48Å; P263-N265 PolarHBondContact O-N 2.87Å
264	P	67.3	Low	73.1	Confident	49 Å²	49	53.1 Å²	53.1	32%	0.318	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.6	125	172.3	27.7	-33.1	0	0	0	108.9	Y254 E266	Y254-P264 HydrophobicContact CE2-CB 4.06Å; Y254-P264 WeakPolarHBondContact OH-CB 3.37Å; P264-E266 VanDerWaalsContact C-N 3.34Å
265	N	70.3	Confident	73	Confident	130 Å²	130	53 Å²	53	70%	0.695	30%	0.297	S	S	*	.			trans	-89.8	-4.1	172.7	62.9	-24.2	0	0	0	112.6	P263	P263-N265 PolarHBondContact O-N 2.87Å
266	E	71.5	Confident	73	Confident	60 Å²	60	52.7 Å²	52.7	28%	0.28	30%	0.295	S	S	.	.	S	Bend	trans	-122.9	133	-176.3	-65.6	-61.3	173.3	0	0	111.5	K247 F249 Y254 P264 F508	K247-E266 WeakPolarHBondContact CE-OE2 3.45Å; K247-E266 IonicContact NZ-OE2 2.79Å; K247-E266 PolarHBondContact NZ-OE2 3.35Å; F249-E266 HydrophobicContact CD1-CG 4.2Å; F249-E266 HydrophobicContact CD2-CG 4.32Å; F249-E266 HydrophobicContact CE1-CB 4.43Å; F249-E266 HydrophobicContact CE1-CG 4.34Å; F249-E266 HydrophobicContact CE2-CG 4.46Å; F249-E266 HydrophobicContact CG-CG 4.19Å; F249-E266 HydrophobicContact CZ-CB 4.38Å; F249-E266 HydrophobicContact CZ-CG 4.46Å; Y254-E266 HydrophobicContact CD2-CB 4.34Å; Y254-E266 HydrophobicContact CD2-CG 4.4Å; Y254-E266 HydrophobicContact CE2-CB 3.77Å; Y254-E266 HydrophobicContact CE2-CG 4.28Å; Y254-E266 PolarHBondContact OH-O 3.15Å; P264-E266 VanDerWaalsContact C-N 3.34Å; E266-F508 HydrophobicContact CB-CE1 4.09Å
267	V	71.8	Confident	73.2	Confident	83 Å²	83	48.5 Å²	48.5	50%	0.503	27%	0.273	S	S	.	.			trans	-84.9	136.2	174.7	-174.1	0	0	0	0	110.4	K247 F508	K247-V267 PolarHBondContact NZ-O 3.08Å; V267-F508 VanDerWaalsContact C-CE1 3.46Å; V267-F508 WeakPolarHBondContact O-CE1 3.37Å
268	P	75	Confident	73.7	Confident	15 Å²	15	48.5 Å²	48.5	10%	0.097	27%	0.267	C	S	.	.			trans	-54	141.2	172	-26.4	34.7	0	0	0	112.3	Y186 N271 S507 F508	Y186-P268 HydrophobicContact CD1-CG 3.4Å; Y186-P268 VanDerWaalsContact CD1-CG 3.4Å; Y186-P268 HydrophobicContact CD2-CG 3.84Å; Y186-P268 HydrophobicContact CE1-CG 3.79Å; Y186-P268 HydrophobicContact CE2-CG 4.19Å; Y186-P268 HydrophobicContact CG-CB 4.37Å; Y186-P268 HydrophobicContact CG-CG 3.42Å; Y186-P268 VanDerWaalsContact CG-CG 3.42Å; P268-N271 HydrophobicContact CB-CB 4.44Å; P268-S507 CarbonylContact C-O 3.58Å; P268-S507 WeakPolarHBondContact CA-O 3.46Å; P268-S507 WeakPolarHBondContact CB-O 3.46Å; P268-F508 VanDerWaalsContact CA-CE1 3.49Å; P268-F508 HydrophobicContact CB-CE1 4.32Å; P268-F508 HydrophobicContact CB-CZ 4.47Å; P268-F508 HydrophobicContact CG-CE1 4.12Å; P268-F508 HydrophobicContact CG-CZ 3.96Å
269	I	71.4	Confident	74.4	Confident	22 Å²	22	48.8 Å²	48.8	11%	0.113	27%	0.268	C	S	.	.	S	Bend	trans	-96.4	-19.8	175.5	58.7	154.6	0	0	0	112.5	Y216 P246 K247 S507 F508 Q510	Y216-I269 HydrophobicContact CD1-CG2 4.47Å; Y216-I269 HydrophobicContact CE1-CB 3.68Å; Y216-I269 HydrophobicContact CE1-CD1 4.38Å; Y216-I269 HydrophobicContact CE1-CG2 3.38Å; Y216-I269 WeakPolarHBondContact OH-CA 3.43Å; Y216-I269 WeakPolarHBondContact OH-CB 3.38Å; Y216-I269 PolarHBondContact OH-O 2.95Å; Y216-I269 VanDerWaalsContact OH-O 3.11Å; P246-I269 HydrophobicContact CG-CD1 3.94Å; K247-I269 HydrophobicContact CB-CD1 4.14Å; K247-I269 HydrophobicContact CB-CG1 4.44Å; K247-I269 HydrophobicContact CB-CG2 4.04Å; K247-I269 HydrophobicContact CD-CG2 3.45Å; K247-I269 VanDerWaalsContact CD-CG2 3.45Å; K247-I269 HydrophobicContact CG-CG2 4.22Å; I269-S507 PolarHBondContact N-O 3.31Å; I269-F508 WeakPolarHBondContact CD1-O 3.25Å; I269-F508 VanDerWaalsContact CG1-C 3.45Å; I269-Q510 HydrophobicContact CD1-CB 4.4Å
270	N	70.7	Confident	75.2	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.059	24%	0.238	C	C	.	.			trans	-133.1	84.1	-173.3	178.9	9.3	0	0	0	107.4	E272 M506 S507 T509 N511	N270-E272 WeakPolarHBondContact OD1-CG 3.39Å; N270-M506 PolarHBondContact ND2-O 3.45Å; N270-M506 VanDerWaalsContact ND2-O 3.12Å; N270-S507 PolarHBondContact N-O 3.25Å; N270-S507 VanDerWaalsContact O-CA 3.25Å; N270-S507 WeakPolarHBondContact O-CA 3.4Å; N270-T509 WeakPolarHBondContact CB-O 3.28Å; N270-T509 PolarHBondContact ND2-O 3.31Å; N270-N511 PolarHBondContact ND2-ND2 2.95Å; N270-N511 PolarHBondContact ND2-OD1 3.4Å; N270-N511 PolarHBondContact OD1-ND2 2.81Å
271	N	59.4	Low	76	Confident	53 Å²	53	44.4 Å²	44.4	28%	0.283	23%	0.229	S	C	.	.			trans	-107.1	45.9	177.4	-168.6	47.6	0	0	0	111.2	Y186 P268 H273	Y186-N271 PolarHBondContact N-OD1 3.44Å; P268-N271 HydrophobicContact CB-CB 4.44Å; N271-H273 PolarHBondContact O-N 3.3Å
272	E	63.6	Low	77.2	Confident	53 Å²	53	45.9 Å²	45.9	25%	0.248	24%	0.237	C	C	.	.			trans	-48.6	117.4	172.6	-78.1	-177.3	171.9	0	0	109.7	N270 L274 R406 N511	N270-E272 WeakPolarHBondContact OD1-CG 3.39Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-L274 HydrophobicContact CB-CD2 4.3Å; E272-L274 PolarHBondContact O-N 3.32Å; E272-R406 PolarHBondContact O-NH1 2.8Å; E272-N511 PolarHBondContact OE1-ND2 3.22Å; E272-N511 PolarHBondContact OE2-ND2 3.37Å; E272-N511 VanDerWaalsContact OE2-ND2 3.08Å
273	H	68.7	Low	78.5	Confident	60 Å²	60	40.1 Å²	40.1	28%	0.278	21%	0.213	S	C	.	.			trans	-65.8	94.1	173.8	-70.7	-96.7	0	0	0	107.8	I172 N271 F275	I172-H273 VanDerWaalsContact CD1-CE1 3.42Å; I172-H273 WeakPolarHBondContact CD1-CE1 3.44Å; I172-H273 WeakPolarHBondContact CD1-NE2 3.42Å; N271-H273 PolarHBondContact O-N 3.3Å; H273-F275 HydrophobicContact CB-CD2 4.41Å; H273-F275 HydrophobicContact CB-CE2 3.63Å; H273-F275 HydrophobicContact CB-CZ 3.72Å; H273-F275 WeakPolarHBondContact O-CD2 3.33Å; H273-F275 WeakPolarHBondContact O-CE2 3.38Å; H273-F275 PolarHBondContact O-N 3.37Å; H273-F275 VanDerWaalsContact O-N 3.1Å
274	L	81.3	Confident	79.9	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	94.3	176.9	-62.9	-176.5	0	0	0	109	F184 E272 T399 M402 L403 R406	F184-L274 HydrophobicContact CB-CB 4.25Å; F184-L274 PolarHBondContact N-O 2.97Å; F184-L274 PolarHBondContact O-N 2.97Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-L274 HydrophobicContact CB-CD2 4.3Å; E272-L274 PolarHBondContact O-N 3.32Å; L274-T399 HydrophobicContact CD2-CG2 3.49Å; L274-T399 VanDerWaalsContact CD2-CG2 3.49Å; L274-M402 HydrophobicContact CD1-CB 3.68Å; L274-L403 HydrophobicContact CD1-CB 4.28Å; L274-R406 HydrophobicContact CD1-CG 4.47Å
275	F	83.3	Confident	81	Confident	10 Å²	10	35 Å²	35	4%	0.044	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.9	172.6	-58.4	-89.1	0	0	0	110.3	L161 L164 L181 H183 H273 G389	L161-F275 HydrophobicContact CD2-CB 4.5Å; L161-F275 HydrophobicContact CD2-CD2 3.96Å; L161-F275 HydrophobicContact CD2-CE2 4.46Å; L161-F275 HydrophobicContact CD2-CG 4.11Å; L164-F275 HydrophobicContact CB-CE2 4.26Å; L164-F275 HydrophobicContact CB-CZ 3.97Å; L164-F275 HydrophobicContact CD1-CE1 3.66Å; L164-F275 HydrophobicContact CD1-CE2 4.35Å; L164-F275 HydrophobicContact CD1-CZ 3.56Å; L164-F275 HydrophobicContact CD2-CZ 4.38Å; L164-F275 HydrophobicContact CG-CZ 4.17Å; L181-F275 HydrophobicContact CB-CD1 4.16Å; L181-F275 HydrophobicContact CD1-CD1 3.72Å; L181-F275 HydrophobicContact CD1-CE1 4.45Å; L181-F275 HydrophobicContact CD1-CG 4.49Å; H183-F275 AromaticContact CE1-CD1 3.07Å; H183-F275 WeakPolarHBondContact CE1-CD1 3.49Å; H183-F275 AromaticContact CE1-CE1 3.04Å; H183-F275 WeakPolarHBondContact CE1-CE1 3.46Å; H183-F275 AromaticContact ND1-CD1 2.88Å; H183-F275 WeakPolarHBondContact ND1-CD1 3.33Å; H183-F275 AromaticContact ND1-CE1 3.02Å; H183-F275 WeakPolarHBondContact ND1-CE1 3.43Å; H183-F275 AromaticContact ND1-CG 3.76Å; H273-F275 HydrophobicContact CB-CD2 4.41Å; H273-F275 HydrophobicContact CB-CE2 3.63Å; H273-F275 HydrophobicContact CB-CZ 3.72Å; H273-F275 WeakPolarHBondContact O-CD2 3.33Å; H273-F275 WeakPolarHBondContact O-CE2 3.38Å; H273-F275 PolarHBondContact O-N 3.37Å; H273-F275 VanDerWaalsContact O-N 3.1Å; F275-G389 PolarHBondContact O-N 2.7Å
276	V	86.2	Confident	81.5	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.6	172.9	-174.8	0	0	0	0	108.3	L138 F182 F184 T279 L386 L403	L138-V276 HydrophobicContact CD2-CG1 4.28Å; F182-V276 HydrophobicContact CB-CB 4.47Å; F182-V276 HydrophobicContact CD1-CB 4.09Å; F182-V276 HydrophobicContact CD1-CG2 3.74Å; F182-V276 HydrophobicContact CE1-CG2 4.32Å; F182-V276 PolarHBondContact O-N 2.91Å; F184-V276 HydrophobicContact CD2-CG2 3.39Å; F184-V276 HydrophobicContact CE2-CG2 3.2Å; F184-V276 HydrophobicContact CG-CG2 4.45Å; F184-V276 HydrophobicContact CZ-CG2 4.12Å; V276-T279 HydrophobicContact CG1-CG2 3.64Å; V276-L386 HydrophobicContact CG1-CD1 4.27Å; V276-L403 HydrophobicContact CG2-CD1 3.98Å
277	V	89.1	Confident	82.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-36.3	176.2	174.7	0	0	0	0	110.6	I143 F144 I147 F157 L335 V387	I143-V277 WeakPolarHBondContact CG2-O 3.32Å; F144-V277 HydrophobicContact CB-CG1 3.87Å; F144-V277 HydrophobicContact CD1-CG1 4.2Å; F144-V277 HydrophobicContact CD2-CG1 3.51Å; F144-V277 HydrophobicContact CE2-CG1 4.02Å; F144-V277 HydrophobicContact CG-CG1 3.62Å; I147-V277 HydrophobicContact CD1-CG1 4Å; I147-V277 HydrophobicContact CD1-CG2 4.49Å; F157-V277 HydrophobicContact CZ-CG2 3.9Å; V277-L335 HydrophobicContact CG2-CD2 4.47Å; V277-V387 HydrophobicContact CB-CB 4.14Å; V277-V387 HydrophobicContact CB-CG1 3.95Å; V277-V387 HydrophobicContact CG1-CG1 4.22Å; V277-V387 PolarHBondContact N-O 3.04Å
278	E	90.5	Very high	82.7	Confident	37 Å²	37	31.3 Å²	31.3	17%	0.173	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	142.4	-178.6	-177.1	73.8	-150.2	0	0	110.1	F144 S379 V387	F144-E278 HydrophobicContact CD1-CB 3.72Å; F144-E278 HydrophobicContact CD1-CG 4.04Å; F144-E278 WeakPolarHBondContact CD1-OE2 3.22Å; F144-E278 HydrophobicContact CE1-CB 4.22Å; E278-S379 WeakPolarHBondContact CG-OG 3.46Å; E278-V387 HydrophobicContact CB-CB 3.93Å; E278-V387 HydrophobicContact CB-CG2 3.86Å; E278-V387 PolarHBondContact N-O 2.86Å; E278-V387 PolarHBondContact O-N 3.33Å
279	T	92.5	Very high	82.6	Confident	8 Å²	8	40 Å²	40	5%	0.049	20%	0.197	C	C	.	.			trans	-112.1	147.2	171.3	53.5	0	0	0	0	111.1	L138 V276 R281 M385 L386	L138-T279 HydrophobicContact CD1-CG2 4.29Å; L138-T279 HydrophobicContact CD2-CG2 3.82Å; V276-T279 HydrophobicContact CG1-CG2 3.64Å; T279-R281 PolarHBondContact O-N 3.34Å; T279-M385 CarbonylContact C-O 3.58Å; T279-L386 HydrophobicContact CG2-CD1 4.34Å
280	P	94.4	Very high	82.8	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.			trans	-65.3	135.6	177.4	29.1	-37	0	0	0	111	V330 G383 M385 W407	P280-V330 HydrophobicContact CB-CG1 4.14Å; P280-V330 HydrophobicContact CB-CG2 4.01Å; P280-V330 HydrophobicContact CG-CB 4.49Å; P280-V330 HydrophobicContact CG-CG1 3.79Å; P280-V330 HydrophobicContact CG-CG2 3.82Å; P280-G383 CarbonylContact C-O 3.58Å; P280-G383 WeakPolarHBondContact CA-O 3.46Å; P280-M385 WeakPolarHBondContact CD-O 3.25Å; P280-M385 VanDerWaalsContact N-O 3.14Å; P280-W407 HydrophobicContact CG-CH2 4.17Å; P280-W407 HydrophobicContact CG-CZ2 3.37Å
281	R	92.1	Very high	83.5	Confident	117 Å²	117	49.7 Å²	49.7	44%	0.442	24%	0.24	S	C	.	.	S	Bend	trans	-86.2	-19.3	171.4	-69.8	177	-73.6	150.9	7.8	112.4	T279 D285 K380 G383	T279-R281 PolarHBondContact O-N 3.34Å; R281-D285 WeakPolarHBondContact CA-OD2 3.44Å; R281-K380 PolarHBondContact NH2-O 3.3Å; R281-G383 PolarHBondContact N-O 2.83Å
282	S	91.5	Very high	85.1	Confident	41 Å²	41	54.3 Å²	54.3	29%	0.287	26%	0.258	S	S	.	.	S	Bend	trans	-81.4	-18.3	-177.9	70.3	0	0	0	0	113.7	R328 G383	S282-R328 WeakPolarHBondContact O-CD 3.44Å; S282-R328 VanDerWaalsContact O-CG 3.32Å; S282-R328 WeakPolarHBondContact O-CG 3.37Å; S282-R328 PolarHBondContact O-NE 3.42Å; S282-G383 WeakPolarHBondContact CB-O 2.81Å; S282-G383 PolarHBondContact N-O 2.69Å; S282-G383 PolarHBondContact OG-O 2.9Å; S282-G383 VanDerWaalsContact OG-O 3.13Å
283	A	94.4	Very high	86.7	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.025	25%	0.249	C	C	.	.	S	Bend	trans	-146.3	132.1	-173.9	0	0	0	0	0	111.2	D285 R328 V330 W407	A283-D285 PolarHBondContact O-N 2.95Å; A283-D285 VanDerWaalsContact O-N 3.13Å; A283-R328 HydrophobicContact CB-CB 3.59Å; A283-R328 HydrophobicContact CB-CG 4.21Å; A283-V330 HydrophobicContact CB-CG2 3.53Å; A283-W407 HydrophobicContact CB-CH2 4.5Å; A283-W407 WeakPolarHBondContact O-CZ2 3.36Å
284	C	93	Very high	88.1	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.041	25%	0.248	C	C	.	.	S	Bend	trans	48	40.1	177.6	-46.4	0	0	0	0	114.2	P286 W407 F411 C412 I415	C284-P286 WeakPolarHBondContact O-CD 3.39Å; C284-W407 HydrophobicContact CB-CH2 4.13Å; C284-W407 HydrophobicContact CB-CZ2 3.76Å; C284-F411 HydrophobicContact CB-CB 4.1Å; C284-F411 WeakPolarHBondContact O-CB 3.24Å; C284-C412 HydrophobicContact CB-CB 4.03Å; C284-C412 WeakPolarHBondContact CB-SG 3.28Å; C284-C412 WeakPolarHBondContact SG-CA 3.38Å; C284-C412 WeakPolarHBondContact SG-CB 3.09Å; C284-C412 CovalentContact SG-SG 2.03Å; C284-C412 PolarHBondContact SG-SG 3.23Å; C284-I415 HydrophobicContact CB-CD1 4.05Å
285	D	90.5	Very high	88.9	Confident	15 Å²	15	51 Å²	51	8%	0.08	25%	0.246	C	C	.	.			trans	-65.3	123.7	-177	-170.9	-17.6	0	0	0	110.5	R281 A283 C287 H288	R281-D285 WeakPolarHBondContact CA-OD2 3.44Å; A283-D285 PolarHBondContact O-N 2.95Å; A283-D285 VanDerWaalsContact O-N 3.13Å; D285-C287 PolarHBondContact O-N 2.85Å; D285-C287 WeakPolarHBondContact OD1-CA 3.44Å; D285-C287 VanDerWaalsContact OD1-CB 3.23Å; D285-C287 WeakPolarHBondContact OD1-CB 3.37Å; D285-C287 PolarHBondContact OD1-N 3.01Å; D285-H288 IonicContact OD2-CD2 3.06Å; D285-H288 PolarHBondContact OD2-CD2 2.87Å; D285-H288 IonicContact OD2-CG 3.74Å
286	P	80.5	Confident	89.6	Confident	17 Å²	17	50.5 Å²	50.5	11%	0.11	24%	0.244	C	C	.	.	S	Bend	trans	-70.9	-15.1	174.8	27.6	-32.7	0	0	0	114.2	S135 L138 C284 F411	S135-P286 PolarHBondContact OG-O 2.99Å; L138-P286 HydrophobicContact CD1-CG 4.32Å; C284-P286 WeakPolarHBondContact O-CD 3.39Å; P286-F411 HydrophobicContact CB-CD1 3.84Å; P286-F411 HydrophobicContact CB-CE1 3.65Å; P286-F411 HydrophobicContact CB-CZ 4.3Å; P286-F411 HydrophobicContact CG-CD1 4.42Å; P286-F411 HydrophobicContact CG-CE1 4.19Å; P286-F411 HydrophobicContact CG-CZ 4.39Å
287	C	85.4	Confident	90.2	Very high	49 Å²	49	50.4 Å²	50.4	33%	0.331	24%	0.243	S	C	.	.	S	Bend	trans	-98.3	-16.9	-169.6	-51.4	0	0	0	0	114.2	C139 D285	C139-C287 WeakPolarHBondContact CA-SG 3.11Å; C139-C287 HydrophobicContact CB-CB 3.73Å; C139-C287 WeakPolarHBondContact CB-SG 3.36Å; C139-C287 WeakPolarHBondContact SG-CA 3.36Å; C139-C287 WeakPolarHBondContact SG-CB 3.32Å; C139-C287 CovalentContact SG-SG 2.03Å; C139-C287 PolarHBondContact SG-SG 3.47Å; D285-C287 PolarHBondContact O-N 2.85Å; D285-C287 WeakPolarHBondContact OD1-CA 3.44Å; D285-C287 VanDerWaalsContact OD1-CB 3.23Å; D285-C287 WeakPolarHBondContact OD1-CB 3.37Å; D285-C287 PolarHBondContact OD1-N 3.01Å
288	H	82.8	Confident	90.6	Very high	128 Å²	128	50.2 Å²	50.2	59%	0.593	24%	0.243	S	C	*	.	S	Bend	trans	-127.7	166.5	-174.9	-64.7	-40	0	0	0	111.7	D285 K290	D285-H288 IonicContact OD2-CD2 3.06Å; D285-H288 PolarHBondContact OD2-CD2 2.87Å; D285-H288 IonicContact OD2-CG 3.74Å; H288-K290 PolarHBondContact O-N 3.49Å
289	E	72.8	Confident	91	Very high	197 Å²	197	48.5 Å²	48.5	92%	0.921	23%	0.234	S	C	*	.			trans	-62.2	137.2	-176.8	-167.7	174.8	-177.6	0	0	111.8	Q291	E289-Q291 PolarHBondContact O-N 2.9Å
290	K	75.3	Confident	91.3	Very high	129 Å²	129	48.8 Å²	48.8	56%	0.561	24%	0.235	S	C	*	.			trans	-85.3	100.6	-167.8	-64.2	176.3	179.3	178.2	0	111.1	H288 I415	H288-K290 PolarHBondContact O-N 3.49Å; K290-I415 HydrophobicContact CB-CD1 4Å; K290-I415 HydrophobicContact CB-CG1 4.2Å; K290-I415 HydrophobicContact CD-CD1 3.84Å; K290-I415 HydrophobicContact CD-CG1 4.17Å; K290-I415 HydrophobicContact CG-CD1 3.77Å; K290-I415 HydrophobicContact CG-CG1 4.35Å
291	Q	86	Confident	91.4	Very high	109 Å²	109	48.9 Å²	48.9	51%	0.509	24%	0.235	S	C	.	.			trans	-71.8	129.7	167.5	-175.3	-179.9	15.7	0	0	110.6	E289 L293 I415	E289-Q291 PolarHBondContact O-N 2.9Å; Q291-L293 PolarHBondContact O-N 3.36Å; Q291-I415 VanDerWaalsContact O-CG2 3.25Å; Q291-I415 WeakPolarHBondContact O-CG2 3.33Å
292	K	94.3	Very high	91.5	Very high	150 Å²	150	43.7 Å²	43.7	65%	0.652	22%	0.217	S	C	*	.			trans	-63.1	127.5	171.4	-70.8	-71	-173.8	173.4	0	110.9	T326 N414	K292-T326 PolarHBondContact O-OG1 3.28Å; K292-N414 PolarHBondContact NZ-O 3.37Å
293	L	96.5	Very high	91.7	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	20%	0.204	C	C	.	.			trans	-109.1	149.7	178.6	-57.4	178.1	0	0	0	109.9	Q291 V296 T326 R328 I415 T416 P417	Q291-L293 PolarHBondContact O-N 3.36Å; L293-V296 HydrophobicContact CB-CG2 4.44Å; L293-V296 HydrophobicContact CD1-CG2 3.61Å; L293-T326 WeakPolarHBondContact CA-OG1 3.41Å; L293-R328 HydrophobicContact CD1-CB 4.02Å; L293-R328 HydrophobicContact CD1-CG 3.67Å; L293-R328 HydrophobicContact CD2-CG 3.87Å; L293-R328 HydrophobicContact CG-CG 4.43Å; L293-I415 HydrophobicContact CB-CG2 4.37Å; L293-I415 HydrophobicContact CD1-CG2 4.07Å; L293-I415 HydrophobicContact CG-CG2 3.95Å; L293-I415 PolarHBondContact N-O 3.37Å; L293-T416 WeakPolarHBondContact O-CA 3.48Å; L293-P417 VanDerWaalsContact O-CD 3.28Å; L293-P417 WeakPolarHBondContact O-CD 3.48Å
294	S	97.2	Very high	91.7	Very high	36 Å²	36	41.9 Å²	41.9	25%	0.252	20%	0.204	S	C	.	.	S	Bend	trans	-86.8	-32.2	175	-53	0	0	0	0	111.5	T326	S294-T326 PolarHBondContact N-O 3.11Å; S294-T326 PolarHBondContact N-OG1 2.8Å; S294-T326 PolarHBondContact OG-N 3.3Å; S294-T326 PolarHBondContact OG-OG1 2.77Å
295	L	98.1	Very high	91.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	139.4	-179.2	-179.3	65.7	0	0	0	110.2	V297 W322 T326 V327 R328 L418 L420 T433 V437 I493	L295-V297 HydrophobicContact CD2-CG2 3.85Å; L295-V297 HydrophobicContact CG-CG2 4.07Å; L295-W322 HydrophobicContact CD2-CZ3 4.46Å; L295-T326 PolarHBondContact N-O 3.18Å; L295-V327 HydrophobicContact CB-CG1 4.33Å; L295-V327 HydrophobicContact CB-CG2 4.13Å; L295-V327 HydrophobicContact CD2-CG1 4.27Å; L295-V327 HydrophobicContact CG-CG1 4.4Å; L295-V327 WeakPolarHBondContact O-CA 3.2Å; L295-R328 PolarHBondContact O-N 2.98Å; L295-L418 HydrophobicContact CD1-CB 3.85Å; L295-L420 HydrophobicContact CD1-CB 3.88Å; L295-L420 HydrophobicContact CD2-CB 4.48Å; L295-T433 HydrophobicContact CD2-CG2 4.23Å; L295-V437 HydrophobicContact CD2-CG2 4.23Å; L295-I493 HydrophobicContact CD1-CD1 4.34Å
296	V	98.3	Very high	91.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.4	164.2	175.1	0	0	0	0	108.4	L293 L298 R328 V330 W407 T416 L418 L419 L420	L293-V296 HydrophobicContact CB-CG2 4.44Å; L293-V296 HydrophobicContact CD1-CG2 3.61Å; V296-L298 HydrophobicContact CG1-CD1 4Å; V296-R328 CarbonylContact C-O 3.37Å; V296-R328 WeakPolarHBondContact CA-O 3.45Å; V296-V330 HydrophobicContact CG1-CG2 4.38Å; V296-W407 HydrophobicContact CG1-CH2 4.1Å; V296-W407 HydrophobicContact CG1-CZ3 4.25Å; V296-T416 HydrophobicContact CB-CG2 4.17Å; V296-T416 HydrophobicContact CG2-CG2 3.71Å; V296-L418 PolarHBondContact N-O 2.74Å; V296-L419 HydrophobicContact CB-CD2 4.31Å; V296-L419 HydrophobicContact CG1-CD2 4.5Å; V296-L419 CarbonylContact O-C 3.54Å; V296-L419 VanDerWaalsContact O-CA 3.29Å; V296-L419 WeakPolarHBondContact O-CA 3.49Å; V296-L420 PolarHBondContact O-N 3.17Å
297	V	98.5	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.9	178.5	178.8	0	0	0	0	109	L295 I299 V327 R328 F329 V330 L420 I422 L428	L295-V297 HydrophobicContact CD2-CG2 3.85Å; L295-V297 HydrophobicContact CG-CG2 4.07Å; V297-I299 HydrophobicContact CG1-CG1 3.99Å; V297-V327 HydrophobicContact CG2-CG1 3.95Å; V297-R328 PolarHBondContact N-O 3.26Å; V297-F329 HydrophobicContact CB-CD1 3.52Å; V297-F329 HydrophobicContact CB-CE1 3.85Å; V297-F329 HydrophobicContact CB-CG 4.36Å; V297-F329 HydrophobicContact CG1-CD1 3.79Å; V297-F329 HydrophobicContact CG1-CE1 4.11Å; V297-F329 HydrophobicContact CG2-CD1 3.97Å; V297-F329 HydrophobicContact CG2-CE1 3.77Å; V297-F329 CarbonylContact O-C 3.59Å; V297-F329 WeakPolarHBondContact O-CA 3.25Å; V297-V330 PolarHBondContact O-N 2.92Å; V297-L420 CarbonylContact C-O 3.6Å; V297-L420 VanDerWaalsContact CA-O 3.25Å; V297-L420 WeakPolarHBondContact CA-O 3.41Å; V297-L420 HydrophobicContact CG1-CD2 3.84Å; V297-L420 HydrophobicContact CG2-CB 4.39Å; V297-L420 HydrophobicContact CG2-CD2 4.3Å; V297-I422 HydrophobicContact CG1-CD1 4.27Å; V297-I422 HydrophobicContact CG1-CG1 4.16Å; V297-L428 HydrophobicContact CG1-CD1 3.82Å; V297-L428 HydrophobicContact CG2-CD1 3.98Å
298	L	98.6	Very high	92.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122	172.8	-70.4	94.6	0	0	0	109.7	V296 V330 V332 W407 L419 L420 F421 I422	V296-L298 HydrophobicContact CG1-CD1 4Å; L298-V330 CarbonylContact C-O 3.44Å; L298-V330 WeakPolarHBondContact CA-O 3.22Å; L298-V332 HydrophobicContact CB-CG2 4.29Å; L298-V332 HydrophobicContact CD2-CG2 3.97Å; L298-W407 HydrophobicContact CD1-CZ3 4.19Å; L298-W407 HydrophobicContact CD2-CE3 3.83Å; L298-W407 HydrophobicContact CD2-CZ3 3.76Å; L298-W407 HydrophobicContact CG-CZ3 4.14Å; L298-L419 HydrophobicContact CD1-CB 4.29Å; L298-L419 HydrophobicContact CD1-CD2 3.62Å; L298-L420 PolarHBondContact N-O 2.89Å; L298-F421 HydrophobicContact CB-CD1 3.84Å; L298-F421 HydrophobicContact CB-CE1 4.14Å; L298-F421 HydrophobicContact CD1-CD1 4.36Å; L298-F421 HydrophobicContact CD1-CE1 3.95Å; L298-F421 HydrophobicContact CD1-CZ 4.17Å; L298-F421 HydrophobicContact CD2-CE1 4.05Å; L298-F421 HydrophobicContact CG-CD1 4.47Å; L298-F421 HydrophobicContact CG-CE1 4.28Å; L298-F421 CarbonylContact O-C 3.52Å; L298-F421 WeakPolarHBondContact O-CA 3.49Å; L298-I422 PolarHBondContact O-N 3.5Å
299	I	98.5	Very high	93.5	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.3	-177.4	-50.9	167.1	0	0	0	107.7	V297 S301 Y316 M317 F329 V330 F331 V332 I422 D424	V297-I299 HydrophobicContact CG1-CG1 3.99Å; I299-S301 PolarHBondContact O-N 2.97Å; I299-S301 VanDerWaalsContact O-N 3.12Å; I299-Y316 HydrophobicContact CD1-CE2 4.17Å; I299-Y316 WeakPolarHBondContact CD1-OH 3.48Å; I299-M317 HydrophobicContact CD1-SD 4.21Å; I299-F329 HydrophobicContact CD1-CB 4.38Å; I299-F329 HydrophobicContact CD1-CD1 4.25Å; I299-V330 PolarHBondContact N-O 2.94Å; I299-F331 HydrophobicContact CB-CD1 3.67Å; I299-F331 HydrophobicContact CB-CE1 3.95Å; I299-F331 HydrophobicContact CD1-CD1 3.97Å; I299-F331 HydrophobicContact CD1-CE1 3.5Å; I299-F331 HydrophobicContact CD1-CZ 3.94Å; I299-F331 HydrophobicContact CG1-CD1 4.4Å; I299-F331 HydrophobicContact CG1-CE1 4.32Å; I299-F331 HydrophobicContact CG2-CD1 3.8Å; I299-F331 HydrophobicContact CG2-CE1 3.81Å; I299-F331 CarbonylContact O-C 3.52Å; I299-F331 WeakPolarHBondContact O-CA 3.43Å; I299-V332 PolarHBondContact O-N 3.29Å; I299-I422 CarbonylContact C-O 3.57Å; I299-I422 WeakPolarHBondContact CA-O 3.49Å; I299-I422 HydrophobicContact CB-CG1 4.38Å; I299-I422 HydrophobicContact CG1-CD1 4.03Å; I299-I422 HydrophobicContact CG1-CG1 3.95Å; I299-I422 HydrophobicContact CG2-CD1 4.49Å; I299-I422 HydrophobicContact CG2-CG1 4.32Å; I299-D424 HydrophobicContact CG2-CB 3.96Å
300	K	97.9	Very high	94.6	Very high	14 Å²	14	33.4 Å²	33.4	6%	0.061	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	110.7	171.3	-74.3	-170	-76.5	146.7	0	108.1	K400 I422 D423 D424 D515	K300-K400 HydrophobicContact CB-CD 4.45Å; K300-K400 HydrophobicContact CG-CD 4.31Å; K300-I422 PolarHBondContact N-O 2.82Å; K300-D423 WeakPolarHBondContact CE-OD1 3.31Å; K300-D423 IonicContact NZ-OD1 2.85Å; K300-D423 PolarHBondContact NZ-OD1 2.82Å; K300-D423 IonicContact NZ-OD2 2.84Å; K300-D424 WeakPolarHBondContact O-CB 3.37Å; K300-D424 PolarHBondContact O-N 3.41Å; K300-D515 IonicContact NZ-OD2 3.08Å; K300-D515 PolarHBondContact NZ-OD2 2.85Å
301	S	97.5	Very high	95.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	14%	0.139	C	C	.	.			trans	-119.5	149	179.6	-172.2	0	0	0	0	111.4	I299 R309 V332 K400 D424	I299-S301 PolarHBondContact O-N 2.97Å; I299-S301 VanDerWaalsContact O-N 3.12Å; S301-R309 WeakPolarHBondContact OG-CG 3.43Å; S301-R309 PolarHBondContact OG-NH1 3Å; S301-V332 PolarHBondContact N-O 3.36Å; S301-V332 VanDerWaalsContact O-O 3.13Å; S301-K400 PolarHBondContact O-NZ 3.47Å; S301-D424 WeakPolarHBondContact CA-OD2 3.44Å; S301-D424 WeakPolarHBondContact CB-OD2 3.26Å; S301-D424 PolarHBondContact OG-OD2 3.33Å
302	C	94.8	Very high	96	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.061	12%	0.115	C	C	.	.			trans	-80.9	146.7	170.1	91.5	0	0	0	0	110.5	Y304 C305 R309 D424	C302-Y304 PolarHBondContact O-N 2.87Å; C302-Y304 VanDerWaalsContact O-N 3.11Å; C302-C305 HydrophobicContact CB-CB 4.09Å; C302-C305 WeakPolarHBondContact CB-SG 3.46Å; C302-C305 VanDerWaalsContact O-CB 3.31Å; C302-C305 WeakPolarHBondContact O-CB 3.19Å; C302-C305 PolarHBondContact O-N 3.33Å; C302-C305 WeakPolarHBondContact SG-CB 3.37Å; C302-C305 PolarHBondContact SG-N 3.31Å; C302-C305 CovalentContact SG-SG 2.04Å; C302-C305 PolarHBondContact SG-SG 3.41Å; C302-R309 PolarHBondContact O-NH1 3.48Å; C302-D424 PolarHBondContact N-OD2 3.22Å
303	I	95.3	Very high	96.1	Very high	3 Å²	3	19 Å²	19	2%	0.015	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.3	179.7	-173.1	169.3	0	0	0	113.4	C305 R309 P336 V371 L375 D392	I303-C305 VanDerWaalsContact C-N 3.35Å; I303-C305 PolarHBondContact O-N 3Å; I303-R309 PolarHBondContact O-NH2 3.08Å; I303-P336 HydrophobicContact CD1-CB 3.78Å; I303-P336 HydrophobicContact CD1-CG 3.63Å; I303-P336 VanDerWaalsContact CD1-N 3.27Å; I303-V371 HydrophobicContact CD1-CG1 4.01Å; I303-V371 HydrophobicContact CG1-CG1 3.97Å; I303-L375 HydrophobicContact CD1-CD2 4.05Å; I303-L375 HydrophobicContact CG1-CD1 4.22Å; I303-L375 HydrophobicContact CG1-CD2 4.02Å; I303-D392 HydrophobicContact CB-CB 4.21Å; I303-D392 HydrophobicContact CG2-CB 4.09Å; I303-D392 PolarHBondContact N-OD2 3.46Å
304	Y	94.4	Very high	96	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.6	-179.5	-49.2	-66.2	0	0	0	114.4	C302 Y306 P336 E340 S361 R364 R368 V371	C302-Y304 PolarHBondContact O-N 2.87Å; C302-Y304 VanDerWaalsContact O-N 3.11Å; Y304-Y306 PolarHBondContact O-N 3.1Å; Y304-P336 HydrophobicContact CE1-CB 4.5Å; Y304-E340 WeakPolarHBondContact CE2-OE2 3.49Å; Y304-E340 PolarHBondContact OH-OE2 3.14Å; Y304-S361 VanDerWaalsContact CE2-CB 3.45Å; Y304-R364 PolarHBondContact O-NH1 3.39Å; Y304-R368 VanDerWaalsContact CZ-NH1 3.26Å; Y304-R368 PolarHBondContact OH-NH1 2.66Å; Y304-V371 HydrophobicContact CD1-CG1 3.75Å; Y304-V371 HydrophobicContact CD1-CG2 4.39Å; Y304-V371 HydrophobicContact CE1-CB 4.33Å; Y304-V371 HydrophobicContact CE1-CG1 3.63Å; Y304-V371 HydrophobicContact CE1-CG2 4.02Å
305	C	94.4	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.113	C	C	.	.			trans	-81	46.4	-170.6	-68.1	0	0	0	0	113.7	C302 I303 E307 Q308 R309 D424	C302-C305 HydrophobicContact CB-CB 4.09Å; C302-C305 WeakPolarHBondContact CB-SG 3.46Å; C302-C305 VanDerWaalsContact O-CB 3.31Å; C302-C305 WeakPolarHBondContact O-CB 3.19Å; C302-C305 PolarHBondContact O-N 3.33Å; C302-C305 WeakPolarHBondContact SG-CB 3.37Å; C302-C305 PolarHBondContact SG-N 3.31Å; C302-C305 CovalentContact SG-SG 2.04Å; C302-C305 PolarHBondContact SG-SG 3.41Å; I303-C305 VanDerWaalsContact C-N 3.35Å; I303-C305 PolarHBondContact O-N 3Å; C305-E307 VanDerWaalsContact C-N 3.35Å; C305-E307 PolarHBondContact O-N 3.42Å; C305-Q308 HydrophobicContact CB-CB 4.19Å; C305-Q308 HydrophobicContact CB-CG 4.26Å; C305-Q308 VanDerWaalsContact CB-OE1 3.31Å; C305-Q308 PolarHBondContact O-N 3.43Å; C305-Q308 PolarHBondContact O-OE1 2.94Å; C305-R309 PolarHBondContact O-N 3.4Å; C305-R309 VanDerWaalsContact O-N 3.13Å; C305-D424 WeakPolarHBondContact CB-OD2 3.17Å; C305-D424 PolarHBondContact SG-OD2 3.11Å; C305-D424 VanDerWaalsContact SG-OD2 3.4Å
306	Y	93.2	Very high	95.6	Very high	91 Å²	91	25.3 Å²	25.3	36%	0.357	11%	0.113	S	C	.	.	H	α-helix	trans	-60.7	-40.9	-178.6	177.5	-96	0	0	0	112.5	Y304 Q308 R309 S310 E378	Y304-Y306 PolarHBondContact O-N 3.1Å; Y306-Q308 VanDerWaalsContact C-N 3.31Å; Y306-Q308 PolarHBondContact O-N 3.48Å; Y306-R309 PolarHBondContact O-N 2.89Å; Y306-S310 WeakPolarHBondContact O-CB 3.28Å; Y306-S310 PolarHBondContact O-N 3.49Å; Y306-E378 HydrophobicContact CD2-CG 4.39Å; Y306-E378 WeakPolarHBondContact CD2-OE2 3.16Å; Y306-E378 HydrophobicContact CE2-CG 4.13Å
307	E	92.1	Very high	95.5	Very high	120 Å²	120	26.3 Å²	26.3	56%	0.561	12%	0.118	S	C	*	.	H	α-helix	trans	-63	-39.1	179.4	-67.5	-173.7	171.3	0	0	111.9	C305 S310 Y311	C305-E307 VanDerWaalsContact C-N 3.35Å; C305-E307 PolarHBondContact O-N 3.42Å; E307-S310 PolarHBondContact O-N 3.41Å; E307-Y311 VanDerWaalsContact O-CB 3.25Å; E307-Y311 WeakPolarHBondContact O-CB 3.46Å; E307-Y311 PolarHBondContact O-N 2.74Å
308	Q	93.3	Very high	95.3	Very high	3 Å²	3	30 Å²	30	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-46.3	177	-65.8	76.3	-0.2	0	0	110.4	C305 Y306 Y311 A312 D424	C305-Q308 HydrophobicContact CB-CB 4.19Å; C305-Q308 HydrophobicContact CB-CG 4.26Å; C305-Q308 VanDerWaalsContact CB-OE1 3.31Å; C305-Q308 PolarHBondContact O-N 3.43Å; C305-Q308 PolarHBondContact O-OE1 2.94Å; Y306-Q308 VanDerWaalsContact C-N 3.31Å; Y306-Q308 PolarHBondContact O-N 3.48Å; Q308-Y311 PolarHBondContact O-N 2.89Å; Q308-A312 WeakPolarHBondContact O-CB 3.18Å; Q308-A312 PolarHBondContact O-N 3.29Å; Q308-D424 HydrophobicContact CB-CB 4.27Å
309	R	96.9	Very high	95	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-44.2	175.2	-62.8	-165.9	-69.4	-84.1	5.3	111.9	S301 C302 I303 C305 Y306 Y311 A312 R313 F331 E378	S301-R309 WeakPolarHBondContact OG-CG 3.43Å; S301-R309 PolarHBondContact OG-NH1 3Å; C302-R309 PolarHBondContact O-NH1 3.48Å; I303-R309 PolarHBondContact O-NH2 3.08Å; C305-R309 PolarHBondContact O-N 3.4Å; C305-R309 VanDerWaalsContact O-N 3.13Å; Y306-R309 PolarHBondContact O-N 2.89Å; R309-Y311 VanDerWaalsContact C-N 3.33Å; R309-Y311 PolarHBondContact O-N 3.28Å; R309-A312 PolarHBondContact O-N 2.95Å; R309-R313 WeakPolarHBondContact O-CG 3.33Å; R309-R313 PolarHBondContact O-N 2.91Å; R309-F331 HydrophobicContact CB-CD1 4.34Å; R309-F331 HydrophobicContact CB-CD2 4.38Å; R309-F331 HydrophobicContact CB-CE1 3.93Å; R309-F331 HydrophobicContact CB-CE2 3.96Å; R309-F331 HydrophobicContact CB-CZ 3.71Å; R309-F331 HydrophobicContact CG-CD1 3.59Å; R309-F331 HydrophobicContact CG-CD2 4.2Å; R309-F331 HydrophobicContact CG-CE1 3.59Å; R309-F331 HydrophobicContact CG-CE2 4.19Å; R309-F331 HydrophobicContact CG-CG 3.9Å; R309-F331 HydrophobicContact CG-CZ 3.89Å; R309-E378 IonicContact CZ-OE1 3.66Å; R309-E378 IonicContact CZ-OE2 4Å; R309-E378 VanDerWaalsContact NE-CD 3.34Å; R309-E378 IonicContact NE-OE1 3.79Å; R309-E378 PolarHBondContact NE-OE1 3.26Å; R309-E378 IonicContact NE-OE2 3.22Å; R309-E378 PolarHBondContact NE-OE2 3.14Å; R309-E378 IonicContact NH2-OE1 2.62Å; R309-E378 IonicContact NH2-OE2 2.84Å; R309-E378 PolarHBondContact NH2-OE2 3.44Å
310	S	95.8	Very high	94.7	Very high	17 Å²	17	39 Å²	39	12%	0.119	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-39.9	175.8	-179.6	0	0	0	0	112.2	Y306 E307 R313 K314	Y306-S310 WeakPolarHBondContact O-CB 3.28Å; Y306-S310 PolarHBondContact O-N 3.49Å; E307-S310 PolarHBondContact O-N 3.41Å; S310-R313 PolarHBondContact O-N 3.44Å; S310-K314 WeakPolarHBondContact O-CG 3.43Å; S310-K314 PolarHBondContact O-N 2.85Å; S310-K314 VanDerWaalsContact O-N 3.1Å
311	Y	94.6	Very high	94.6	Very high	52 Å²	52	41.2 Å²	41.2	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-47.7	176.1	177.9	-87.4	0	0	0	110.9	E307 Q308 R309 R313 K314 T315 V427 R554 A557	E307-Y311 VanDerWaalsContact O-CB 3.25Å; E307-Y311 WeakPolarHBondContact O-CB 3.46Å; E307-Y311 PolarHBondContact O-N 2.74Å; Q308-Y311 PolarHBondContact O-N 2.89Å; R309-Y311 VanDerWaalsContact C-N 3.33Å; R309-Y311 PolarHBondContact O-N 3.28Å; Y311-R313 VanDerWaalsContact C-N 3.32Å; Y311-R313 PolarHBondContact O-N 2.93Å; Y311-K314 PolarHBondContact O-N 2.84Å; Y311-K314 VanDerWaalsContact O-N 3.16Å; Y311-T315 HydrophobicContact CD1-CG2 4.27Å; Y311-T315 HydrophobicContact CD2-CG2 4.31Å; Y311-T315 HydrophobicContact CE1-CG2 3.88Å; Y311-T315 HydrophobicContact CE2-CG2 3.95Å; Y311-T315 HydrophobicContact CG-CG2 4.46Å; Y311-T315 WeakPolarHBondContact O-CB 3.34Å; Y311-T315 WeakPolarHBondContact O-CG2 3.02Å; Y311-T315 PolarHBondContact O-N 3.1Å; Y311-T315 VanDerWaalsContact O-N 3.07Å; Y311-T315 PolarHBondContact O-OG1 3.12Å; Y311-V427 HydrophobicContact CD1-CG1 4.47Å; Y311-V427 HydrophobicContact CE1-CG1 3.79Å; Y311-R554 HydrophobicContact CD1-CG 3.91Å; Y311-R554 HydrophobicContact CE1-CG 3.82Å; Y311-A557 PolarHBondContact OH-O 3.16Å
312	A	96.2	Very high	94.5	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-45.1	176.7	0	0	0	0	0	111.7	Q308 R309 K314 T315 Y316 M317 F331	Q308-A312 WeakPolarHBondContact O-CB 3.18Å; Q308-A312 PolarHBondContact O-N 3.29Å; R309-A312 PolarHBondContact O-N 2.95Å; A312-K314 VanDerWaalsContact C-N 3.33Å; A312-K314 PolarHBondContact O-N 3.02Å; A312-T315 CarbonylContact O-C 3.52Å; A312-T315 PolarHBondContact O-N 3.02Å; A312-T315 VanDerWaalsContact O-N 3.13Å; A312-T315 PolarHBondContact O-OG1 3.43Å; A312-Y316 HydrophobicContact CB-CD1 4.42Å; A312-Y316 HydrophobicContact CB-CE1 3.55Å; A312-Y316 PolarHBondContact O-N 3.26Å; A312-M317 HydrophobicContact CB-CG 4.21Å; A312-M317 HydrophobicContact CB-SD 3.63Å; A312-M317 VanDerWaalsContact O-CB 3.27Å; A312-M317 WeakPolarHBondContact O-CB 3.26Å; A312-M317 WeakPolarHBondContact O-CG 3.24Å; A312-M317 PolarHBondContact O-N 3.04Å; A312-M317 VanDerWaalsContact O-N 3.1Å; A312-F331 HydrophobicContact CB-CE1 4.24Å; A312-F331 HydrophobicContact CB-CZ 3.9Å
313	R	96.3	Very high	94.1	Very high	31 Å²	31	45 Å²	45	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-40.1	175.7	-72.7	-176.7	-168.6	109.6	-3.8	113.5	R309 S310 Y311 T315 M317 F331 E378 Y382 D384	R309-R313 WeakPolarHBondContact O-CG 3.33Å; R309-R313 PolarHBondContact O-N 2.91Å; S310-R313 PolarHBondContact O-N 3.44Å; Y311-R313 VanDerWaalsContact C-N 3.32Å; Y311-R313 PolarHBondContact O-N 2.93Å; R313-T315 VanDerWaalsContact C-N 3.31Å; R313-M317 HydrophobicContact CB-SD 4.35Å; R313-M317 HydrophobicContact CG-CE 3.82Å; R313-M317 HydrophobicContact CG-SD 3.72Å; R313-M317 PolarHBondContact N-SD 2.79Å; R313-M317 VanDerWaalsContact N-SD 3.4Å; R313-F331 HydrophobicContact CG-CE2 4.23Å; R313-E378 IonicContact CZ-OE1 3.3Å; R313-E378 VanDerWaalsContact CZ-OE1 3.27Å; R313-E378 IonicContact NH1-OE1 2.79Å; R313-E378 PolarHBondContact NH1-OE1 3.08Å; R313-E378 IonicContact NH2-OE1 2.64Å; R313-E378 PolarHBondContact NH2-OE1 3.15Å; R313-Y382 VanDerWaalsContact CZ-CD2 3.45Å; R313-D384 IonicContact CZ-OD1 2.75Å; R313-D384 IonicContact CZ-OD2 3.2Å; R313-D384 IonicContact NE-OD1 2.93Å; R313-D384 IonicContact NE-OD2 2.64Å; R313-D384 PolarHBondContact NE-OD2 3.18Å; R313-D384 IonicContact NH2-OD1 2.95Å; R313-D384 PolarHBondContact NH2-OD1 2.72Å; R313-D384 IonicContact NH2-OD2 2.79Å; R313-D384 PolarHBondContact NH2-OD2 2.89Å
314	K	93.9	Very high	93.7	Very high	167 Å²	167	52.8 Å²	52.8	73%	0.726	27%	0.265	S	S	*	.	H	α-helix	trans	-77.8	-14	179.2	-71.7	174.4	-179.8	175.6	0	113.8	S310 Y311 A312	S310-K314 WeakPolarHBondContact O-CG 3.43Å; S310-K314 PolarHBondContact O-N 2.85Å; S310-K314 VanDerWaalsContact O-N 3.1Å; Y311-K314 PolarHBondContact O-N 2.84Å; Y311-K314 VanDerWaalsContact O-N 3.16Å; A312-K314 VanDerWaalsContact C-N 3.33Å; A312-K314 PolarHBondContact O-N 3.02Å
315	T	94	Very high	93.7	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-108.5	-171.9	57.3	0	0	0	0	111.5	Y311 A312 R313 M317 N318 L321 F561	Y311-T315 HydrophobicContact CD1-CG2 4.27Å; Y311-T315 HydrophobicContact CD2-CG2 4.31Å; Y311-T315 HydrophobicContact CE1-CG2 3.88Å; Y311-T315 HydrophobicContact CE2-CG2 3.95Å; Y311-T315 HydrophobicContact CG-CG2 4.46Å; Y311-T315 WeakPolarHBondContact O-CB 3.34Å; Y311-T315 WeakPolarHBondContact O-CG2 3.02Å; Y311-T315 PolarHBondContact O-N 3.1Å; Y311-T315 VanDerWaalsContact O-N 3.07Å; Y311-T315 PolarHBondContact O-OG1 3.12Å; A312-T315 CarbonylContact O-C 3.52Å; A312-T315 PolarHBondContact O-N 3.02Å; A312-T315 VanDerWaalsContact O-N 3.13Å; A312-T315 PolarHBondContact O-OG1 3.43Å; R313-T315 VanDerWaalsContact C-N 3.31Å; T315-M317 PolarHBondContact O-N 3.49Å; T315-N318 WeakPolarHBondContact O-CB 3.23Å; T315-N318 PolarHBondContact O-N 3.19Å; T315-N318 VanDerWaalsContact O-N 3.09Å; T315-L321 VanDerWaalsContact O-CD1 3.29Å; T315-L321 WeakPolarHBondContact O-CD1 3.36Å; T315-F561 HydrophobicContact CG2-CB 3.58Å; T315-F561 HydrophobicContact CG2-CD2 3.67Å; T315-F561 HydrophobicContact CG2-CE2 4.48Å; T315-F561 HydrophobicContact CG2-CG 3.7Å
316	Y	93.9	Very high	93.8	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.6	-170.3	67.4	-92	0	0	0	114.2	I299 A312 N318 W322 F329 I422 V427 L428	I299-Y316 HydrophobicContact CD1-CE2 4.17Å; I299-Y316 WeakPolarHBondContact CD1-OH 3.48Å; A312-Y316 HydrophobicContact CB-CD1 4.42Å; A312-Y316 HydrophobicContact CB-CE1 3.55Å; A312-Y316 PolarHBondContact O-N 3.26Å; Y316-N318 VanDerWaalsContact C-N 3.26Å; Y316-W322 PolarHBondContact O-NE1 2.94Å; Y316-F329 HydrophobicContact CD2-CD1 4.47Å; Y316-F329 AromaticContact CD2-CE1 3.85Å; Y316-F329 HydrophobicContact CD2-CE1 3.85Å; Y316-F329 HydrophobicContact CD2-CZ 4.46Å; Y316-F329 HydrophobicContact CE2-CD1 4.18Å; Y316-F329 AromaticContact CE2-CE1 3.96Å; Y316-F329 HydrophobicContact CE2-CE1 3.96Å; Y316-I422 HydrophobicContact CE2-CD1 4.2Å; Y316-V427 HydrophobicContact CD1-CB 3.7Å; Y316-V427 HydrophobicContact CD1-CG1 4.06Å; Y316-V427 HydrophobicContact CE1-CB 3.83Å; Y316-V427 HydrophobicContact CE1-CG1 3.94Å; Y316-L428 VanDerWaalsContact CB-O 3.23Å; Y316-L428 WeakPolarHBondContact CB-O 3.26Å; Y316-L428 HydrophobicContact CD2-CB 3.97Å; Y316-L428 HydrophobicContact CD2-CD1 4.38Å; Y316-L428 HydrophobicContact CD2-CG 4.37Å; Y316-L428 HydrophobicContact CE2-CB 4.49Å; Y316-L428 HydrophobicContact CE2-CD1 4.39Å; Y316-L428 HydrophobicContact CE2-CG 4.43Å; Y316-L428 HydrophobicContact CG-CB 4.33Å
317	M	95.8	Very high	94	Very high	20 Å²	20	51.4 Å²	51.4	10%	0.099	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.9	173.3	-64.3	173.7	69.4	0	0	113.3	I299 A312 R313 T315 I319 F329 F331	I299-M317 HydrophobicContact CD1-SD 4.21Å; A312-M317 HydrophobicContact CB-CG 4.21Å; A312-M317 HydrophobicContact CB-SD 3.63Å; A312-M317 VanDerWaalsContact O-CB 3.27Å; A312-M317 WeakPolarHBondContact O-CB 3.26Å; A312-M317 WeakPolarHBondContact O-CG 3.24Å; A312-M317 PolarHBondContact O-N 3.04Å; A312-M317 VanDerWaalsContact O-N 3.1Å; R313-M317 HydrophobicContact CB-SD 4.35Å; R313-M317 HydrophobicContact CG-CE 3.82Å; R313-M317 HydrophobicContact CG-SD 3.72Å; R313-M317 PolarHBondContact N-SD 2.79Å; R313-M317 VanDerWaalsContact N-SD 3.4Å; T315-M317 PolarHBondContact O-N 3.49Å; M317-I319 PolarHBondContact O-N 3.12Å; M317-I319 VanDerWaalsContact O-N 3.1Å; M317-F329 HydrophobicContact CB-CD2 3.94Å; M317-F329 HydrophobicContact CB-CE2 4.13Å; M317-F329 HydrophobicContact CB-CG 4.19Å; M317-F329 HydrophobicContact CE-CB 3.41Å; M317-F329 VanDerWaalsContact CE-CB 3.41Å; M317-F329 HydrophobicContact CE-CD2 4.45Å; M317-F329 HydrophobicContact CE-CG 4.05Å; M317-F329 HydrophobicContact CG-CB 4.08Å; M317-F329 HydrophobicContact CG-CD1 3.78Å; M317-F329 HydrophobicContact CG-CD2 3.93Å; M317-F329 HydrophobicContact CG-CE1 4.19Å; M317-F329 HydrophobicContact CG-CE2 4.34Å; M317-F329 HydrophobicContact CG-CG 3.65Å; M317-F329 HydrophobicContact CG-CZ 4.45Å; M317-F329 HydrophobicContact SD-CB 4.29Å; M317-F331 HydrophobicContact CE-CD2 4.48Å; M317-F331 HydrophobicContact CE-CE2 3.57Å; M317-F331 HydrophobicContact CE-CZ 3.91Å; M317-F331 HydrophobicContact SD-CE1 4.43Å; M317-F331 HydrophobicContact SD-CE2 3.73Å; M317-F331 HydrophobicContact SD-CZ 3.41Å; M317-F331 WeakPolarHBondContact SD-CZ 3.46Å
318	N	94.1	Very high	94.2	Very high	78 Å²	78	48.3 Å²	48.3	42%	0.417	25%	0.249	S	C	.	.			trans	-63.8	115.2	175.2	-173.5	-10.6	0	0	0	110.1	T315 Y316 S320 L321 W322	T315-N318 WeakPolarHBondContact O-CB 3.23Å; T315-N318 PolarHBondContact O-N 3.19Å; T315-N318 VanDerWaalsContact O-N 3.09Å; Y316-N318 VanDerWaalsContact C-N 3.26Å; N318-S320 VanDerWaalsContact CG-OG 3.29Å; N318-S320 PolarHBondContact ND2-OG 2.74Å; N318-S320 PolarHBondContact O-N 3.42Å; N318-S320 VanDerWaalsContact O-N 3.13Å; N318-S320 PolarHBondContact OD1-N 3.23Å; N318-S320 VanDerWaalsContact OD1-N 3.14Å; N318-S320 PolarHBondContact OD1-OG 3.2Å; N318-L321 HydrophobicContact CB-CD1 4.03Å; N318-L321 HydrophobicContact CB-CG 4.14Å; N318-L321 WeakPolarHBondContact O-CB 3.44Å; N318-L321 PolarHBondContact O-N 3.19Å; N318-W322 VanDerWaalsContact O-CD1 3.29Å
319	I	91.8	Very high	94.4	Very high	104 Å²	104	48.6 Å²	48.6	53%	0.533	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-59.3	-28.1	-175.1	-62.5	169.1	0	0	0	111.6	M317 L321 W322	M317-I319 PolarHBondContact O-N 3.12Å; M317-I319 VanDerWaalsContact O-N 3.1Å; I319-L321 PolarHBondContact O-N 3.31Å; I319-W322 PolarHBondContact O-N 2.76Å; I319-W322 VanDerWaalsContact O-N 3.16Å
320	S	92.9	Very high	94.5	Very high	85 Å²	85	48.5 Å²	48.5	59%	0.594	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-62.8	-22.7	178.2	69.5	0	0	0	0	113.5	N318 W322	N318-S320 VanDerWaalsContact CG-OG 3.29Å; N318-S320 PolarHBondContact ND2-OG 2.74Å; N318-S320 PolarHBondContact O-N 3.42Å; N318-S320 VanDerWaalsContact O-N 3.13Å; N318-S320 PolarHBondContact OD1-N 3.23Å; N318-S320 VanDerWaalsContact OD1-N 3.14Å; N318-S320 PolarHBondContact OD1-OG 3.2Å; S320-W322 PolarHBondContact O-N 2.92Å
321	L	94.4	Very high	94.6	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.325	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-76.9	-8.1	179.8	-58.3	175.6	0	0	0	113.4	T315 N318 I319 P430 F561	T315-L321 VanDerWaalsContact O-CD1 3.29Å; T315-L321 WeakPolarHBondContact O-CD1 3.36Å; N318-L321 HydrophobicContact CB-CD1 4.03Å; N318-L321 HydrophobicContact CB-CG 4.14Å; N318-L321 WeakPolarHBondContact O-CB 3.44Å; N318-L321 PolarHBondContact O-N 3.19Å; I319-L321 PolarHBondContact O-N 3.31Å; L321-P430 HydrophobicContact CB-CB 3.91Å; L321-P430 HydrophobicContact CB-CG 3.87Å; L321-P430 HydrophobicContact CD1-CG 4.06Å; L321-P430 WeakPolarHBondContact O-CB 3.15Å; L321-F561 HydrophobicContact CD1-CD1 4.44Å; L321-F561 HydrophobicContact CD1-CE1 4.44Å
322	W	95.4	Very high	94.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-100.1	9.4	-167	-68.4	87.2	0	0	0	115.6	L295 Y316 N318 I319 S320 N324 L325 V327 F329 L428 P430 T433 I434	L295-W322 HydrophobicContact CD2-CZ3 4.46Å; Y316-W322 PolarHBondContact O-NE1 2.94Å; N318-W322 VanDerWaalsContact O-CD1 3.29Å; I319-W322 PolarHBondContact O-N 2.76Å; I319-W322 VanDerWaalsContact O-N 3.16Å; S320-W322 PolarHBondContact O-N 2.92Å; W322-N324 PolarHBondContact O-N 3.17Å; W322-N324 VanDerWaalsContact O-N 3.15Å; W322-L325 HydrophobicContact CE3-CD2 4.13Å; W322-L325 HydrophobicContact CZ3-CD2 4.45Å; W322-L325 VanDerWaalsContact O-CB 3.24Å; W322-L325 WeakPolarHBondContact O-CB 3.48Å; W322-L325 PolarHBondContact O-N 3.13Å; W322-V327 HydrophobicContact CB-CG2 4.29Å; W322-V327 HydrophobicContact CD2-CB 4.15Å; W322-V327 HydrophobicContact CD2-CG1 4.45Å; W322-V327 HydrophobicContact CD2-CG2 3.79Å; W322-V327 HydrophobicContact CE3-CB 4.27Å; W322-V327 HydrophobicContact CE3-CG1 4.47Å; W322-V327 HydrophobicContact CE3-CG2 3.47Å; W322-V327 VanDerWaalsContact CE3-CG2 3.47Å; W322-V327 HydrophobicContact CG-CB 4.33Å; W322-V327 HydrophobicContact CG-CG2 4.13Å; W322-V327 HydrophobicContact CZ3-CG2 4.06Å; W322-F329 AromaticContact CE2-CZ 3.59Å; W322-F329 HydrophobicContact CH2-CZ 4.41Å; W322-F329 HydrophobicContact CZ2-CE1 4.02Å; W322-F329 AromaticContact CZ2-CZ 3.51Å; W322-F329 HydrophobicContact CZ2-CZ 3.51Å; W322-F329 AromaticContact NE1-CE2 3.98Å; W322-F329 AromaticContact NE1-CZ 3.54Å; W322-L428 HydrophobicContact CH2-CB 4.46Å; W322-L428 HydrophobicContact CH2-CD1 4.2Å; W322-P430 HydrophobicContact CD2-CB 4.34Å; W322-P430 HydrophobicContact CZ2-CB 4.2Å; W322-P430 HydrophobicContact CZ2-CG 4.39Å; W322-T433 HydrophobicContact CH2-CG2 3.8Å; W322-T433 HydrophobicContact CZ3-CG2 3.67Å; W322-I434 HydrophobicContact CE3-CG1 4Å; W322-I434 HydrophobicContact CZ3-CG1 4.48Å
323	N	87.5	Confident	94.9	Very high	89 Å²	89	45 Å²	45	48%	0.476	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	39	58.4	166.5	-70.3	-29.7	0	0	0	115	L325 N431 I434 R438	N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 PolarHBondContact O-N 3.31Å; N323-N431 PolarHBondContact ND2-OD1 2.82Å; N323-I434 HydrophobicContact CB-CD1 4.05Å; N323-R438 PolarHBondContact O-NH2 3.25Å
324	N	86.9	Confident	94.9	Very high	165 Å²	165	43.6 Å²	43.6	88%	0.882	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	0.9	-178.9	-55.5	-25.9	0	0	0	116.9	W322 T326	W322-N324 PolarHBondContact O-N 3.17Å; W322-N324 VanDerWaalsContact O-N 3.15Å; N324-T326 PolarHBondContact O-N 3.39Å
325	L	94.6	Very high	95	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.094	19%	0.193	C	C	.	.			trans	-75.4	118.8	168.1	-162	71.2	0	0	0	108.6	W322 N323 V327 I434 V437	W322-L325 HydrophobicContact CE3-CD2 4.13Å; W322-L325 HydrophobicContact CZ3-CD2 4.45Å; W322-L325 VanDerWaalsContact O-CB 3.24Å; W322-L325 WeakPolarHBondContact O-CB 3.48Å; W322-L325 PolarHBondContact O-N 3.13Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 PolarHBondContact O-N 3.31Å; L325-V327 HydrophobicContact CB-CG2 3.99Å; L325-V327 HydrophobicContact CD2-CG2 3.62Å; L325-V327 HydrophobicContact CG-CG2 3.71Å; L325-V327 PolarHBondContact O-N 3.3Å; L325-I434 HydrophobicContact CD2-CG1 4.25Å; L325-V437 HydrophobicContact CD1-CG1 3.99Å; L325-V437 HydrophobicContact CD2-CB 4.26Å; L325-V437 HydrophobicContact CD2-CG1 4.19Å; L325-V437 HydrophobicContact CD2-CG2 4.28Å
326	T	95.6	Very high	94.9	Very high	44 Å²	44	35.2 Å²	35.2	27%	0.27	19%	0.19	S	C	.	.			trans	-75.1	91.3	176.6	47.4	0	0	0	0	110.1	K292 L293 S294 L295 N324	K292-T326 PolarHBondContact O-OG1 3.28Å; L293-T326 WeakPolarHBondContact CA-OG1 3.41Å; S294-T326 PolarHBondContact N-O 3.11Å; S294-T326 PolarHBondContact N-OG1 2.8Å; S294-T326 PolarHBondContact OG-N 3.3Å; S294-T326 PolarHBondContact OG-OG1 2.77Å; L295-T326 PolarHBondContact N-O 3.18Å; N324-T326 PolarHBondContact O-N 3.39Å
327	V	97.2	Very high	94.7	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.8	-179.5	-170.9	0	0	0	0	111	L295 V297 W322 L325 F329	L295-V327 HydrophobicContact CB-CG1 4.33Å; L295-V327 HydrophobicContact CB-CG2 4.13Å; L295-V327 HydrophobicContact CD2-CG1 4.27Å; L295-V327 HydrophobicContact CG-CG1 4.4Å; L295-V327 WeakPolarHBondContact O-CA 3.2Å; V297-V327 HydrophobicContact CG2-CG1 3.95Å; W322-V327 HydrophobicContact CB-CG2 4.29Å; W322-V327 HydrophobicContact CD2-CB 4.15Å; W322-V327 HydrophobicContact CD2-CG1 4.45Å; W322-V327 HydrophobicContact CD2-CG2 3.79Å; W322-V327 HydrophobicContact CE3-CB 4.27Å; W322-V327 HydrophobicContact CE3-CG1 4.47Å; W322-V327 HydrophobicContact CE3-CG2 3.47Å; W322-V327 VanDerWaalsContact CE3-CG2 3.47Å; W322-V327 HydrophobicContact CG-CB 4.33Å; W322-V327 HydrophobicContact CG-CG2 4.13Å; W322-V327 HydrophobicContact CZ3-CG2 4.06Å; L325-V327 HydrophobicContact CB-CG2 3.99Å; L325-V327 HydrophobicContact CD2-CG2 3.62Å; L325-V327 HydrophobicContact CG-CG2 3.71Å; L325-V327 PolarHBondContact O-N 3.3Å; V327-F329 HydrophobicContact CB-CE2 4.44Å; V327-F329 HydrophobicContact CG1-CE1 4.27Å; V327-F329 HydrophobicContact CG1-CE2 3.86Å; V327-F329 HydrophobicContact CG1-CZ 3.72Å
328	R	97.1	Very high	94.2	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.211	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.8	167.1	-66.2	-65.8	-173.8	-93.9	-1.9	110.7	S282 A283 L293 L295 V296 V297	S282-R328 WeakPolarHBondContact O-CD 3.44Å; S282-R328 VanDerWaalsContact O-CG 3.32Å; S282-R328 WeakPolarHBondContact O-CG 3.37Å; S282-R328 PolarHBondContact O-NE 3.42Å; A283-R328 HydrophobicContact CB-CB 3.59Å; A283-R328 HydrophobicContact CB-CG 4.21Å; L293-R328 HydrophobicContact CD1-CB 4.02Å; L293-R328 HydrophobicContact CD1-CG 3.67Å; L293-R328 HydrophobicContact CD2-CG 3.87Å; L293-R328 HydrophobicContact CG-CG 4.43Å; L295-R328 PolarHBondContact O-N 2.98Å; V296-R328 CarbonylContact C-O 3.37Å; V296-R328 WeakPolarHBondContact CA-O 3.45Å; V297-R328 PolarHBondContact N-O 3.26Å
329	F	98.1	Very high	93.7	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	-175.7	-59.7	-91.8	0	0	0	109.3	V297 I299 Y316 M317 W322 V327 L428	V297-F329 HydrophobicContact CB-CD1 3.52Å; V297-F329 HydrophobicContact CB-CE1 3.85Å; V297-F329 HydrophobicContact CB-CG 4.36Å; V297-F329 HydrophobicContact CG1-CD1 3.79Å; V297-F329 HydrophobicContact CG1-CE1 4.11Å; V297-F329 HydrophobicContact CG2-CD1 3.97Å; V297-F329 HydrophobicContact CG2-CE1 3.77Å; V297-F329 CarbonylContact O-C 3.59Å; V297-F329 WeakPolarHBondContact O-CA 3.25Å; I299-F329 HydrophobicContact CD1-CB 4.38Å; I299-F329 HydrophobicContact CD1-CD1 4.25Å; Y316-F329 HydrophobicContact CD2-CD1 4.47Å; Y316-F329 AromaticContact CD2-CE1 3.85Å; Y316-F329 HydrophobicContact CD2-CE1 3.85Å; Y316-F329 HydrophobicContact CD2-CZ 4.46Å; Y316-F329 HydrophobicContact CE2-CD1 4.18Å; Y316-F329 AromaticContact CE2-CE1 3.96Å; Y316-F329 HydrophobicContact CE2-CE1 3.96Å; M317-F329 HydrophobicContact CB-CD2 3.94Å; M317-F329 HydrophobicContact CB-CE2 4.13Å; M317-F329 HydrophobicContact CB-CG 4.19Å; M317-F329 HydrophobicContact CE-CB 3.41Å; M317-F329 VanDerWaalsContact CE-CB 3.41Å; M317-F329 HydrophobicContact CE-CD2 4.45Å; M317-F329 HydrophobicContact CE-CG 4.05Å; M317-F329 HydrophobicContact CG-CB 4.08Å; M317-F329 HydrophobicContact CG-CD1 3.78Å; M317-F329 HydrophobicContact CG-CD2 3.93Å; M317-F329 HydrophobicContact CG-CE1 4.19Å; M317-F329 HydrophobicContact CG-CE2 4.34Å; M317-F329 HydrophobicContact CG-CG 3.65Å; M317-F329 HydrophobicContact CG-CZ 4.45Å; M317-F329 HydrophobicContact SD-CB 4.29Å; W322-F329 AromaticContact CE2-CZ 3.59Å; W322-F329 HydrophobicContact CH2-CZ 4.41Å; W322-F329 HydrophobicContact CZ2-CE1 4.02Å; W322-F329 AromaticContact CZ2-CZ 3.51Å; W322-F329 HydrophobicContact CZ2-CZ 3.51Å; W322-F329 AromaticContact NE1-CE2 3.98Å; W322-F329 AromaticContact NE1-CZ 3.54Å; V327-F329 HydrophobicContact CB-CE2 4.44Å; V327-F329 HydrophobicContact CG1-CE1 4.27Å; V327-F329 HydrophobicContact CG1-CE2 3.86Å; V327-F329 HydrophobicContact CG1-CZ 3.72Å; F329-L428 HydrophobicContact CE1-CD1 4.4Å
330	V	98.4	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.3	180	178.1	0	0	0	0	108.8	P280 A283 V296 V297 L298 I299 D384 L386 W407	P280-V330 HydrophobicContact CB-CG1 4.14Å; P280-V330 HydrophobicContact CB-CG2 4.01Å; P280-V330 HydrophobicContact CG-CB 4.49Å; P280-V330 HydrophobicContact CG-CG1 3.79Å; P280-V330 HydrophobicContact CG-CG2 3.82Å; A283-V330 HydrophobicContact CB-CG2 3.53Å; V296-V330 HydrophobicContact CG1-CG2 4.38Å; V297-V330 PolarHBondContact O-N 2.92Å; L298-V330 CarbonylContact C-O 3.44Å; L298-V330 WeakPolarHBondContact CA-O 3.22Å; I299-V330 PolarHBondContact N-O 2.94Å; V330-D384 CarbonylContact C-O 3.53Å; V330-D384 WeakPolarHBondContact CA-O 3.39Å; V330-L386 HydrophobicContact CG1-CB 3.71Å; V330-W407 HydrophobicContact CB-CH2 4.46Å; V330-W407 HydrophobicContact CG1-CH2 4.48Å; V330-W407 HydrophobicContact CG2-CH2 3.76Å; V330-W407 HydrophobicContact CG2-CZ2 4.32Å; V330-W407 HydrophobicContact CG2-CZ3 4.47Å
331	F	98.7	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.4	168	-65.3	-71.9	0	0	0	110	I299 R309 A312 R313 M317 D384 M385 L386	I299-F331 HydrophobicContact CB-CD1 3.67Å; I299-F331 HydrophobicContact CB-CE1 3.95Å; I299-F331 HydrophobicContact CD1-CD1 3.97Å; I299-F331 HydrophobicContact CD1-CE1 3.5Å; I299-F331 HydrophobicContact CD1-CZ 3.94Å; I299-F331 HydrophobicContact CG1-CD1 4.4Å; I299-F331 HydrophobicContact CG1-CE1 4.32Å; I299-F331 HydrophobicContact CG2-CD1 3.8Å; I299-F331 HydrophobicContact CG2-CE1 3.81Å; I299-F331 CarbonylContact O-C 3.52Å; I299-F331 WeakPolarHBondContact O-CA 3.43Å; R309-F331 HydrophobicContact CB-CD1 4.34Å; R309-F331 HydrophobicContact CB-CD2 4.38Å; R309-F331 HydrophobicContact CB-CE1 3.93Å; R309-F331 HydrophobicContact CB-CE2 3.96Å; R309-F331 HydrophobicContact CB-CZ 3.71Å; R309-F331 HydrophobicContact CG-CD1 3.59Å; R309-F331 HydrophobicContact CG-CD2 4.2Å; R309-F331 HydrophobicContact CG-CE1 3.59Å; R309-F331 HydrophobicContact CG-CE2 4.19Å; R309-F331 HydrophobicContact CG-CG 3.9Å; R309-F331 HydrophobicContact CG-CZ 3.89Å; A312-F331 HydrophobicContact CB-CE1 4.24Å; A312-F331 HydrophobicContact CB-CZ 3.9Å; R313-F331 HydrophobicContact CG-CE2 4.23Å; M317-F331 HydrophobicContact CE-CD2 4.48Å; M317-F331 HydrophobicContact CE-CE2 3.57Å; M317-F331 HydrophobicContact CE-CZ 3.91Å; M317-F331 HydrophobicContact SD-CE1 4.43Å; M317-F331 HydrophobicContact SD-CE2 3.73Å; M317-F331 HydrophobicContact SD-CZ 3.41Å; M317-F331 WeakPolarHBondContact SD-CZ 3.46Å; F331-D384 PolarHBondContact N-O 3.42Å; F331-M385 WeakPolarHBondContact O-CA 3.45Å; F331-L386 PolarHBondContact O-N 2.97Å
332	V	98.6	Very high	93	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.4	175.5	-166.4	0	0	0	0	109.1	L298 I299 S301 L386 K400 L403	L298-V332 HydrophobicContact CB-CG2 4.29Å; L298-V332 HydrophobicContact CD2-CG2 3.97Å; I299-V332 PolarHBondContact O-N 3.29Å; S301-V332 PolarHBondContact N-O 3.36Å; S301-V332 VanDerWaalsContact O-O 3.13Å; V332-L386 WeakPolarHBondContact CA-O 3.5Å; V332-L386 HydrophobicContact CG1-CD2 4.19Å; V332-L386 HydrophobicContact CG1-CG 4.39Å; V332-L386 HydrophobicContact CG2-CB 4.42Å; V332-L386 HydrophobicContact CG2-CD2 4.26Å; V332-K400 HydrophobicContact CB-CG 4.31Å; V332-K400 HydrophobicContact CG1-CD 4.39Å; V332-K400 HydrophobicContact CG1-CG 3.7Å; V332-L403 HydrophobicContact CG1-CD2 4.17Å
333	V	98	Very high	92.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.2	-174.9	-63.4	0	0	0	0	110.5	L375 M385 L386 V387 G388	V333-L375 HydrophobicContact CG2-CD1 4.35Å; V333-L375 HydrophobicContact CG2-CD2 3.96Å; V333-M385 HydrophobicContact CG1-CE 4.13Å; V333-M385 HydrophobicContact CG2-CE 3.72Å; V333-L386 PolarHBondContact N-O 3.03Å; V333-V387 HydrophobicContact CG2-CB 4.3Å; V333-V387 HydrophobicContact CG2-CG1 4.28Å; V333-V387 HydrophobicContact CG2-CG2 3.76Å; V333-V387 WeakPolarHBondContact O-CA 3.46Å; V333-G388 PolarHBondContact O-N 3.18Å
334	G	96.2	Very high	92.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-153.7	169.2	0	0	0	0	0	111.9	F390 D392	G334-F390 CarbonylContact C-O 3.53Å; G334-F390 WeakPolarHBondContact CA-O 3.33Å; G334-D392 PolarHBondContact N-OD2 3.27Å
335	L	95	Very high	92.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153	-179.3	-62.6	177.4	0	0	0	112.4	W154 F157 I158 L161 V277 I372 V387 G388 F390 F391 D392	W154-L335 HydrophobicContact CH2-CB 4.18Å; W154-L335 HydrophobicContact CH2-CD1 4.44Å; W154-L335 HydrophobicContact CH2-CD2 4.35Å; W154-L335 HydrophobicContact CZ3-CD2 4.26Å; F157-L335 HydrophobicContact CE1-CD1 3.59Å; F157-L335 HydrophobicContact CZ-CD1 4.17Å; I158-L335 HydrophobicContact CD1-CD1 4.38Å; L161-L335 HydrophobicContact CD1-CD1 3.37Å; V277-L335 HydrophobicContact CG2-CD2 4.47Å; L335-I372 HydrophobicContact CD2-CD1 3.62Å; L335-I372 HydrophobicContact CD2-CG1 4.42Å; L335-V387 HydrophobicContact CD2-CG1 4.32Å; L335-G388 WeakPolarHBondContact CG-O 3.25Å; L335-F390 WeakPolarHBondContact CB-O 3.3Å; L335-F390 PolarHBondContact N-O 3.45Å; L335-F391 HydrophobicContact CB-CD1 4.45Å; L335-F391 CarbonylContact O-C 3.53Å; L335-F391 WeakPolarHBondContact O-CA 3.19Å; L335-D392 PolarHBondContact O-N 3.38Å
336	P	93.7	Very high	91.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.18	C	C	.	.			trans	-74.3	143.2	173.8	27.6	-21.7	0	0	0	110	W154 I303 Y304 R368 I372	W154-P336 HydrophobicContact CH2-CG 4.15Å; W154-P336 HydrophobicContact CZ2-CG 3.91Å; I303-P336 HydrophobicContact CD1-CB 3.78Å; I303-P336 HydrophobicContact CD1-CG 3.63Å; I303-P336 VanDerWaalsContact CD1-N 3.27Å; Y304-P336 HydrophobicContact CE1-CB 4.5Å; P336-R368 HydrophobicContact CB-CB 4.16Å; P336-R368 HydrophobicContact CG-CB 4.22Å; P336-I372 HydrophobicContact CG-CB 4.07Å
337	I	88.7	Confident	91	Very high	37 Å²	37	37.4 Å²	37.4	19%	0.19	19%	0.191	C	C	.	.			trans	-77.7	126.1	171.4	-60.4	172.3	0	0	0	108.6	N339 E340 R368 F391 T393	I337-N339 VanDerWaalsContact C-N 3.35Å; I337-N339 PolarHBondContact O-N 3.14Å; I337-E340 HydrophobicContact CB-CB 3.98Å; I337-E340 HydrophobicContact CB-CG 4.36Å; I337-E340 HydrophobicContact CG2-CB 4.46Å; I337-E340 PolarHBondContact O-N 3.45Å; I337-R368 WeakPolarHBondContact O-CG 3.33Å; I337-R368 PolarHBondContact O-NE 3.13Å; I337-F391 HydrophobicContact CB-CD1 4.39Å; I337-F391 HydrophobicContact CD1-CB 4.1Å; I337-F391 HydrophobicContact CD1-CG 4.49Å; I337-F391 HydrophobicContact CG1-CB 3.58Å; I337-F391 HydrophobicContact CG1-CD1 3.76Å; I337-F391 HydrophobicContact CG1-CD2 4.42Å; I337-F391 HydrophobicContact CG1-CG 3.67Å; I337-T393 HydrophobicContact CD1-CG2 3.29Å; I337-T393 HydrophobicContact CG1-CG2 4.26Å
338	P	85.7	Confident	89.9	Confident	38 Å²	38	40.1 Å²	40.1	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-51.2	174.9	-27.2	33.5	0	0	0	113.2	I158 R368	I158-P338 HydrophobicContact CG1-CG 4.27Å; I158-P338 HydrophobicContact CG2-CG 3.88Å; P338-R368 WeakPolarHBondContact O-CG 3.45Å
339	N	83.4	Confident	89	Confident	151 Å²	151	38.9 Å²	38.9	81%	0.807	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	59.1	177.9	-64.8	-14.2	0	0	0	110.8	I337 T341	I337-N339 VanDerWaalsContact C-N 3.35Å; I337-N339 PolarHBondContact O-N 3.14Å; N339-T341 PolarHBondContact O-N 3.43Å
340	E	85.9	Confident	88.3	Confident	36 Å²	36	43.5 Å²	43.5	17%	0.168	24%	0.243	C	C	.	.			trans	-62.3	136.6	-179.9	-165.5	177.2	-168.5	0	0	112	Y304 I337 W358 S361 R368	Y304-E340 WeakPolarHBondContact CE2-OE2 3.49Å; Y304-E340 PolarHBondContact OH-OE2 3.14Å; I337-E340 HydrophobicContact CB-CB 3.98Å; I337-E340 HydrophobicContact CB-CG 4.36Å; I337-E340 HydrophobicContact CG2-CB 4.46Å; I337-E340 PolarHBondContact O-N 3.45Å; E340-W358 HydrophobicContact CG-CZ3 4.39Å; E340-S361 PolarHBondContact OE2-OG 3.05Å; E340-R368 IonicContact OE2-CZ 3.27Å; E340-R368 IonicContact OE2-NH1 3.65Å; E340-R368 PolarHBondContact OE2-NH1 3.44Å; E340-R368 IonicContact OE2-NH2 2.7Å; E340-R368 PolarHBondContact OE2-NH2 3.44Å; E340-R368 VanDerWaalsContact OE2-NH2 3.16Å
341	T	88.2	Confident	87.8	Confident	67 Å²	67	43.8 Å²	43.8	41%	0.411	25%	0.245	S	C	.	.			trans	-131.9	152	173.3	174.1	0	0	0	0	108.8	N339 I343	N339-T341 PolarHBondContact O-N 3.43Å; T341-I343 VanDerWaalsContact CG2-O 3.22Å; T341-I343 WeakPolarHBondContact CG2-O 3.46Å; T341-I343 PolarHBondContact OG1-N 3.07Å
342	N	89.5	Confident	87.3	Confident	25 Å²	25	49.1 Å²	49.1	13%	0.134	27%	0.269	C	S	.	.	S	Bend	trans	-82.1	-2.1	169	62.4	-23.9	0	0	0	112.7	Q352 L353 D354 W358	N342-Q352 WeakPolarHBondContact ND2-CG 3.12Å; N342-Q352 PolarHBondContact ND2-NE2 3.49Å; N342-Q352 CarbonylContact O-C 3.6Å; N342-Q352 VanDerWaalsContact O-CA 3.32Å; N342-Q352 WeakPolarHBondContact O-CA 3.49Å; N342-L353 WeakPolarHBondContact CB-O 3.28Å; N342-L353 PolarHBondContact O-N 2.94Å; N342-D354 PolarHBondContact ND2-OD1 3.42Å; N342-W358 HydrophobicContact CB-CD2 3.63Å; N342-W358 HydrophobicContact CB-CE3 3.87Å; N342-W358 HydrophobicContact CB-CG 4.06Å; N342-W358 HydrophobicContact CB-CH2 4.17Å; N342-W358 HydrophobicContact CB-CZ2 3.95Å; N342-W358 HydrophobicContact CB-CZ3 4.14Å
343	I	89.4	Confident	86.9	Confident	73 Å²	73	50.1 Å²	50.1	37%	0.374	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.7	-179.6	-54.5	176.3	0	0	0	109.4	T341 N350	T341-I343 VanDerWaalsContact CG2-O 3.22Å; T341-I343 WeakPolarHBondContact CG2-O 3.46Å; T341-I343 PolarHBondContact OG1-N 3.07Å; I343-N350 HydrophobicContact CG2-CB 3.76Å
344	H	87.9	Confident	86.3	Confident	37 Å²	37	54 Å²	54	17%	0.171	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.9	176.8	-59.7	-91	0	0	0	110.4	F346 N350 I351 F395	H344-F346 HydrophobicContact CB-CD2 4.41Å; H344-F346 HydrophobicContact CB-CE2 3.67Å; H344-F346 HydrophobicContact CB-CZ 4.29Å; H344-N350 CarbonylContact O-C 3.56Å; H344-N350 VanDerWaalsContact O-CA 3.29Å; H344-N350 WeakPolarHBondContact O-CA 3.24Å; H344-I351 PolarHBondContact N-O 3.15Å; H344-I351 PolarHBondContact O-N 2.85Å; H344-F395 HydrophobicContact CB-CD2 3.88Å; H344-F395 HydrophobicContact CB-CE2 3.7Å; H344-F395 AromaticContact CD2-CD2 3.96Å; H344-F395 AromaticContact CD2-CE2 3.73Å; H344-F395 AromaticContact CG-CD2 3.59Å; H344-F395 AromaticContact CG-CE2 3.62Å; H344-F395 AromaticContact ND1-CD2 3.78Å
345	H	83.5	Confident	85.7	Confident	117 Å²	117	55.8 Å²	55.8	54%	0.542	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.2	-175.5	-171.3	80.4	0	0	0	111.2	G348 V349 N350	H345-G348 WeakPolarHBondContact CE1-CA 3.33Å; H345-G348 PolarHBondContact CE1-O 3.1Å; H345-G348 VanDerWaalsContact NE2-CA 3.3Å; H345-G348 WeakPolarHBondContact NE2-CA 3.03Å; H345-G348 PolarHBondContact NE2-N 2.85Å; H345-V349 CarbonylContact C-O 3.56Å; H345-V349 WeakPolarHBondContact CA-O 3.04Å; H345-N350 PolarHBondContact ND1-OD1 3.34Å
346	F	81.5	Confident	85.4	Confident	42 Å²	42	59 Å²	59	18%	0.184	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.2	176.1	-59.9	-74.4	0	0	0	110.3	H344 G348 V349 I351 F395 R513	H344-F346 HydrophobicContact CB-CD2 4.41Å; H344-F346 HydrophobicContact CB-CE2 3.67Å; H344-F346 HydrophobicContact CB-CZ 4.29Å; F346-G348 PolarHBondContact O-N 3.3Å; F346-G348 VanDerWaalsContact O-N 3.12Å; F346-V349 PolarHBondContact N-O 2.95Å; F346-V349 WeakPolarHBondContact O-CA 3.49Å; F346-V349 WeakPolarHBondContact O-CB 3.33Å; F346-V349 PolarHBondContact O-N 2.96Å; F346-I351 HydrophobicContact CD2-CD1 3.5Å; F346-I351 HydrophobicContact CD2-CG1 4.03Å; F346-I351 HydrophobicContact CE2-CD1 4.12Å; F346-I351 HydrophobicContact CG-CD1 4.44Å; F346-F395 HydrophobicContact CE2-CD1 4.13Å; F346-F395 AromaticContact CE2-CD2 3.46Å; F346-F395 HydrophobicContact CE2-CD2 3.46Å; F346-F395 VanDerWaalsContact CE2-CD2 3.46Å; F346-F395 HydrophobicContact CE2-CE1 4.14Å; F346-F395 AromaticContact CE2-CE2 3.47Å; F346-F395 HydrophobicContact CE2-CE2 3.47Å; F346-F395 VanDerWaalsContact CE2-CE2 3.47Å; F346-F395 AromaticContact CE2-CG 3.8Å; F346-F395 HydrophobicContact CE2-CG 3.8Å; F346-F395 AromaticContact CE2-CZ 3.82Å; F346-F395 HydrophobicContact CE2-CZ 3.82Å; F346-F395 HydrophobicContact CZ-CB 3.83Å; F346-F395 HydrophobicContact CZ-CD1 4.06Å; F346-F395 AromaticContact CZ-CD2 3.53Å; F346-F395 HydrophobicContact CZ-CD2 3.53Å; F346-F395 HydrophobicContact CZ-CE2 4.05Å; F346-F395 AromaticContact CZ-CG 3.53Å; F346-F395 HydrophobicContact CZ-CG 3.53Å; F346-R513 HydrophobicContact CE1-CG 4.44Å
347	D	76.5	Confident	85	Confident	93 Å²	93	61.3 Å²	61.3	50%	0.497	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	38.1	177.7	-57.8	-35.4	0	0	0	114.6	V349 Y467 S474	D347-V349 VanDerWaalsContact C-N 3.31Å; D347-V349 PolarHBondContact O-N 3.16Å; D347-Y467 PolarHBondContact OD2-OH 3.37Å; D347-S474 WeakPolarHBondContact OD2-CB 3.3Å; D347-S474 PolarHBondContact OD2-OG 2.75Å
348	G	74.7	Confident	85	Confident	60 Å²	60	61.3 Å²	61.3	62%	0.619	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	1.7	-178	0	0	0	0	0	114.8	H345 F346	H345-G348 WeakPolarHBondContact CE1-CA 3.33Å; H345-G348 PolarHBondContact CE1-O 3.1Å; H345-G348 VanDerWaalsContact NE2-CA 3.3Å; H345-G348 WeakPolarHBondContact NE2-CA 3.03Å; H345-G348 PolarHBondContact NE2-N 2.85Å; F346-G348 PolarHBondContact O-N 3.3Å; F346-G348 VanDerWaalsContact O-N 3.12Å
349	V	76.8	Confident	85.1	Confident	30 Å²	30	66.5 Å²	66.5	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.6	-173.9	-171.9	0	0	0	0	111.2	H345 F346 D347 K465 Y467	H345-V349 CarbonylContact C-O 3.56Å; H345-V349 WeakPolarHBondContact CA-O 3.04Å; F346-V349 PolarHBondContact N-O 2.95Å; F346-V349 WeakPolarHBondContact O-CA 3.49Å; F346-V349 WeakPolarHBondContact O-CB 3.33Å; F346-V349 PolarHBondContact O-N 2.96Å; D347-V349 VanDerWaalsContact C-N 3.31Å; D347-V349 PolarHBondContact O-N 3.16Å; V349-K465 WeakPolarHBondContact CG2-O 3.3Å; V349-Y467 HydrophobicContact CB-CD2 3.75Å; V349-Y467 HydrophobicContact CB-CE2 4.17Å; V349-Y467 HydrophobicContact CG1-CD2 3.84Å; V349-Y467 HydrophobicContact CG2-CD2 4.08Å; V349-Y467 HydrophobicContact CG2-CE2 4.26Å
350	N	84.3	Confident	85.4	Confident	105 Å²	105	60.5 Å²	60.5	56%	0.561	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.4	175.6	-68.6	-14.2	0	0	0	111	I343 H344 H345	I343-N350 HydrophobicContact CG2-CB 3.76Å; H344-N350 CarbonylContact O-C 3.56Å; H344-N350 VanDerWaalsContact O-CA 3.29Å; H344-N350 WeakPolarHBondContact O-CA 3.24Å; H345-N350 PolarHBondContact ND1-OD1 3.34Å
351	I	87.7	Confident	85.5	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.4	171.3	-51.6	-175.3	0	0	0	108.2	H344 F346 L353 F395 Y467	H344-I351 PolarHBondContact N-O 3.15Å; H344-I351 PolarHBondContact O-N 2.85Å; F346-I351 HydrophobicContact CD2-CD1 3.5Å; F346-I351 HydrophobicContact CD2-CG1 4.03Å; F346-I351 HydrophobicContact CE2-CD1 4.12Å; F346-I351 HydrophobicContact CG-CD1 4.44Å; I351-L353 HydrophobicContact CG2-CD2 4.3Å; I351-F395 HydrophobicContact CB-CZ 4.45Å; I351-F395 HydrophobicContact CD1-CZ 4.2Å; I351-F395 HydrophobicContact CG2-CZ 4.06Å; I351-Y467 HydrophobicContact CD1-CD1 3.39Å; I351-Y467 HydrophobicContact CD1-CE1 4.08Å; I351-Y467 HydrophobicContact CD1-CG 3.68Å; I351-Y467 HydrophobicContact CG1-CD1 4.22Å; I351-Y467 HydrophobicContact CG1-CG 3.98Å
352	Q	88.7	Confident	85.5	Confident	112 Å²	112	63.8 Å²	63.8	52%	0.523	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.6	175.9	-173.9	173.2	-30.1	0	0	110.9	N342 D354	N342-Q352 WeakPolarHBondContact ND2-CG 3.12Å; N342-Q352 PolarHBondContact ND2-NE2 3.49Å; N342-Q352 CarbonylContact O-C 3.6Å; N342-Q352 VanDerWaalsContact O-CA 3.32Å; N342-Q352 WeakPolarHBondContact O-CA 3.49Å; Q352-D354 PolarHBondContact NE2-OD1 3.3Å; Q352-D354 VanDerWaalsContact NE2-OD1 3.12Å; Q352-D354 PolarHBondContact NE2-OD2 3.42Å
353	L	89.7	Confident	85.4	Confident	21 Å²	21	68.7 Å²	68.7	11%	0.11	35%	0.347	C	S	.	.			trans	-114.8	98.5	178.9	-66.4	-172.1	0	0	0	112	N342 I351 G355 Y394 F395 K470	N342-L353 WeakPolarHBondContact CB-O 3.28Å; N342-L353 PolarHBondContact O-N 2.94Å; I351-L353 HydrophobicContact CG2-CD2 4.3Å; L353-G355 VanDerWaalsContact C-N 3.29Å; L353-G355 PolarHBondContact O-N 3.03Å; L353-Y394 VanDerWaalsContact CD1-CB 3.47Å; L353-Y394 HydrophobicContact CD1-CD1 3.9Å; L353-Y394 HydrophobicContact CD1-CG 3.94Å; L353-F395 HydrophobicContact CD1-CD2 3.98Å; L353-F395 HydrophobicContact CD1-CE2 3.46Å; L353-F395 VanDerWaalsContact CD1-CE2 3.46Å; L353-F395 HydrophobicContact CD1-CZ 3.98Å; L353-F395 HydrophobicContact CD2-CE2 4.27Å; L353-F395 HydrophobicContact CD2-CZ 4.1Å; L353-F395 HydrophobicContact CG-CE2 3.93Å; L353-F395 HydrophobicContact CG-CZ 4.27Å; L353-K470 HydrophobicContact CD2-CB 3.6Å; L353-K470 HydrophobicContact CD2-CD 4.15Å
354	D	86.1	Confident	85	Confident	82 Å²	82	68.2 Å²	68.2	44%	0.439	34%	0.341	S	S	.	.			trans	-95.6	41.3	176.3	-59.4	-41.3	0	0	0	112.5	N342 Q352 W359	N342-D354 PolarHBondContact ND2-OD1 3.42Å; Q352-D354 PolarHBondContact NE2-OD1 3.3Å; Q352-D354 VanDerWaalsContact NE2-OD1 3.12Å; Q352-D354 PolarHBondContact NE2-OD2 3.42Å; D354-W359 PolarHBondContact O-NE1 2.86Å
355	G	83.5	Confident	83.9	Confident	37 Å²	37	74.9 Å²	74.9	38%	0.381	37%	0.372	S	S	.	.	S	Bend	trans	-87	179.5	-174.8	0	0	0	0	0	115.1	L353 S357 W358 W359	L353-G355 VanDerWaalsContact C-N 3.29Å; L353-G355 PolarHBondContact O-N 3.03Å; G355-S357 PolarHBondContact O-N 3.4Å; G355-W358 WeakPolarHBondContact O-CB 3.24Å; G355-W358 PolarHBondContact O-N 2.94Å; G355-W358 VanDerWaalsContact O-N 3.08Å; G355-W359 PolarHBondContact O-N 3.3Å
356	K	87	Confident	83.2	Confident	69 Å²	69	77.7 Å²	77.7	30%	0.3	39%	0.39	S	S	.	.	H	α-helix	trans	-43.8	-55.2	177.7	178	-174.5	69.5	-166.2	0	112.8	W358 W359 E360 D424 D425	K356-W358 VanDerWaalsContact C-N 3.26Å; K356-W358 PolarHBondContact O-N 3.48Å; K356-W359 PolarHBondContact O-N 3.43Å; K356-W359 VanDerWaalsContact O-N 3.14Å; K356-E360 HydrophobicContact CG-CG 4.32Å; K356-E360 WeakPolarHBondContact O-CG 3.5Å; K356-E360 PolarHBondContact O-N 2.85Å; K356-D424 IonicContact NZ-OD1 2.87Å; K356-D424 PolarHBondContact NZ-OD1 2.81Å; K356-D425 VanDerWaalsContact NZ-CG 3.33Å; K356-D425 IonicContact NZ-OD2 3.17Å; K356-D425 PolarHBondContact NZ-OD2 2.93Å
357	S	85.7	Confident	83.4	Confident	49 Å²	49	77.7 Å²	77.7	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-36.3	-176	-49.2	0	0	0	0	113	G355 S361	G355-S357 PolarHBondContact O-N 3.4Å; S357-S361 WeakPolarHBondContact O-CB 3.42Å; S357-S361 PolarHBondContact O-N 2.93Å
358	W	88.3	Confident	84.1	Confident	37 Å²	37	75.4 Å²	75.4	14%	0.14	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-46.5	176.4	173.9	-117.2	0	0	0	111.6	E340 N342 G355 K356 E360 S361 R362	E340-W358 HydrophobicContact CG-CZ3 4.39Å; N342-W358 HydrophobicContact CB-CD2 3.63Å; N342-W358 HydrophobicContact CB-CE3 3.87Å; N342-W358 HydrophobicContact CB-CG 4.06Å; N342-W358 HydrophobicContact CB-CH2 4.17Å; N342-W358 HydrophobicContact CB-CZ2 3.95Å; N342-W358 HydrophobicContact CB-CZ3 4.14Å; G355-W358 WeakPolarHBondContact O-CB 3.24Å; G355-W358 PolarHBondContact O-N 2.94Å; G355-W358 VanDerWaalsContact O-N 3.08Å; K356-W358 VanDerWaalsContact C-N 3.26Å; K356-W358 PolarHBondContact O-N 3.48Å; W358-E360 PolarHBondContact O-N 2.79Å; W358-S361 WeakPolarHBondContact O-CB 3.33Å; W358-S361 PolarHBondContact O-N 2.82Å; W358-R362 HydrophobicContact CD2-CG 4.26Å; W358-R362 HydrophobicContact CZ2-CG 4.16Å; W358-R362 WeakPolarHBondContact O-CG 3.33Å; W358-R362 PolarHBondContact O-N 2.86Å
359	W	88.9	Confident	85	Confident	146 Å²	146	75.4 Å²	75.4	55%	0.553	36%	0.361	S	S	*	.	H	α-helix	trans	-65.6	-37.7	177.3	-66.1	112.4	0	0	0	112.5	D354 G355 K356 R362 K363	D354-W359 PolarHBondContact O-NE1 2.86Å; G355-W359 PolarHBondContact O-N 3.3Å; K356-W359 PolarHBondContact O-N 3.43Å; K356-W359 VanDerWaalsContact O-N 3.14Å; W359-R362 PolarHBondContact O-N 2.79Å; W359-K363 WeakPolarHBondContact O-CG 3.45Å; W359-K363 PolarHBondContact O-N 2.83Å
360	E	89.2	Confident	85.7	Confident	25 Å²	25	75.9 Å²	75.9	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-36.7	173	-64.3	-51.2	148.7	0	0	112.4	K356 W358 K363	K356-E360 HydrophobicContact CG-CG 4.32Å; K356-E360 WeakPolarHBondContact O-CG 3.5Å; K356-E360 PolarHBondContact O-N 2.85Å; W358-E360 PolarHBondContact O-N 2.79Å; E360-K363 PolarHBondContact O-N 2.77Å; E360-K363 IonicContact OE1-NZ 3.73Å; E360-K363 PolarHBondContact OE1-NZ 2.92Å; E360-K363 WeakPolarHBondContact OE2-CD 3.39Å; E360-K363 IonicContact OE2-NZ 2.79Å; E360-K363 PolarHBondContact OE2-NZ 2.8Å
361	S	88.9	Confident	86.2	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-45.8	172.6	-176.6	0	0	0	0	111.3	Y304 E340 S357 W358 K363 R364 R368	Y304-S361 VanDerWaalsContact CE2-CB 3.45Å; E340-S361 PolarHBondContact OE2-OG 3.05Å; S357-S361 WeakPolarHBondContact O-CB 3.42Å; S357-S361 PolarHBondContact O-N 2.93Å; W358-S361 WeakPolarHBondContact O-CB 3.33Å; W358-S361 PolarHBondContact O-N 2.82Å; S361-K363 VanDerWaalsContact C-N 3.29Å; S361-K363 PolarHBondContact O-N 3.05Å; S361-R364 PolarHBondContact O-N 2.95Å; S361-R364 VanDerWaalsContact O-N 3.1Å; S361-R368 PolarHBondContact OG-NH1 2.79Å; S361-R368 PolarHBondContact OG-NH2 3.06Å
362	R	88.1	Confident	86.5	Confident	170 Å²	170	70.8 Å²	70.8	64%	0.642	34%	0.338	S	S	*	.	H	α-helix	trans	-66.2	-23.8	-178.7	-72.7	-69.5	-62.3	-141	-2.1	114.7	W358 W359	W358-R362 HydrophobicContact CD2-CG 4.26Å; W358-R362 HydrophobicContact CZ2-CG 4.16Å; W358-R362 WeakPolarHBondContact O-CG 3.33Å; W358-R362 PolarHBondContact O-N 2.86Å; W359-R362 PolarHBondContact O-N 2.79Å
363	K	86.5	Confident	86.8	Confident	129 Å²	129	69.8 Å²	69.8	56%	0.561	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.2	174.3	-69	175.2	-165.6	167.7	0	112.7	W359 E360 S361	W359-K363 WeakPolarHBondContact O-CG 3.45Å; W359-K363 PolarHBondContact O-N 2.83Å; E360-K363 PolarHBondContact O-N 2.77Å; E360-K363 IonicContact OE1-NZ 3.73Å; E360-K363 PolarHBondContact OE1-NZ 2.92Å; E360-K363 WeakPolarHBondContact OE2-CD 3.39Å; E360-K363 IonicContact OE2-NZ 2.79Å; E360-K363 PolarHBondContact OE2-NZ 2.8Å; S361-K363 VanDerWaalsContact C-N 3.29Å; S361-K363 PolarHBondContact O-N 3.05Å
364	R	80.6	Confident	87	Confident	63 Å²	63	73.1 Å²	73.1	24%	0.238	35%	0.347	C	S	.	.	S	Bend	trans	-94.4	138	-179.5	-73.3	-158.4	156.2	90.1	-9.3	111.6	Y304 S361 L366 E374	Y304-R364 PolarHBondContact O-NH1 3.39Å; S361-R364 PolarHBondContact O-N 2.95Å; S361-R364 VanDerWaalsContact O-N 3.1Å; R364-L366 PolarHBondContact O-N 3.04Å; R364-E374 IonicContact CZ-OE2 2.61Å; R364-E374 IonicContact NE-OE2 3.16Å; R364-E374 PolarHBondContact NE-OE2 3.24Å; R364-E374 VanDerWaalsContact NE-OE2 3.16Å; R364-E374 IonicContact NH2-OE2 3.18Å; R364-E374 PolarHBondContact NH2-OE2 3.13Å
365	E	65.1	Low	87.5	Confident	176 Å²	176	69.3 Å²	69.3	82%	0.822	33%	0.327	S	S	*	.			trans	-70.4	121.5	178.1	-66.8	-176.3	173.8	0	0	111.7	S367	E365-S367 VanDerWaalsContact C-N 3.28Å; E365-S367 PolarHBondContact O-N 2.98Å
366	L	68.6	Low	88.1	Confident	177 Å²	177	69.2 Å²	69.2	93%	0.927	32%	0.315	S	S	*	.	S	Bend	trans	26.1	-45.4	163.9	-60.3	173.8	0	0	0	121.6	R364 R368	R364-L366 PolarHBondContact O-N 3.04Å; L366-R368 PolarHBondContact O-N 3.34Å
367	S	86.4	Confident	88.6	Confident	41 Å²	41	69.7 Å²	69.7	29%	0.287	32%	0.321	S	S	.	.			trans	-87.1	112.8	-170.1	-173	0	0	0	0	112.7	E365 W369 S370	E365-S367 VanDerWaalsContact C-N 3.28Å; E365-S367 PolarHBondContact O-N 2.98Å; S367-W369 PolarHBondContact O-N 3.21Å; S367-W369 PolarHBondContact OG-N 3.31Å; S367-S370 PolarHBondContact O-N 2.84Å; S367-S370 VanDerWaalsContact O-N 3.16Å; S367-S370 PolarHBondContact O-OG 3.31Å
368	R	91.4	Very high	89.1	Confident	45 Å²	45	67.9 Å²	67.9	17%	0.17	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-24.2	173.3	-54.9	-58	-177.1	-178.6	-4.7	113.1	Y304 P336 I337 P338 E340 S361 L366 V371 I372	Y304-R368 VanDerWaalsContact CZ-NH1 3.26Å; Y304-R368 PolarHBondContact OH-NH1 2.66Å; P336-R368 HydrophobicContact CB-CB 4.16Å; P336-R368 HydrophobicContact CG-CB 4.22Å; I337-R368 WeakPolarHBondContact O-CG 3.33Å; I337-R368 PolarHBondContact O-NE 3.13Å; P338-R368 WeakPolarHBondContact O-CG 3.45Å; E340-R368 IonicContact OE2-CZ 3.27Å; E340-R368 IonicContact OE2-NH1 3.65Å; E340-R368 PolarHBondContact OE2-NH1 3.44Å; E340-R368 IonicContact OE2-NH2 2.7Å; E340-R368 PolarHBondContact OE2-NH2 3.44Å; E340-R368 VanDerWaalsContact OE2-NH2 3.16Å; S361-R368 PolarHBondContact OG-NH1 2.79Å; S361-R368 PolarHBondContact OG-NH2 3.06Å; L366-R368 PolarHBondContact O-N 3.34Å; R368-V371 PolarHBondContact O-N 2.84Å; R368-I372 PolarHBondContact O-N 2.84Å
369	W	92.4	Very high	89.5	Confident	60 Å²	60	66.1 Å²	66.1	23%	0.227	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-37.8	173.6	173.5	60.7	0	0	0	112.4	V148 S150 Q151 W154 S367 V371 I372 K373	V148-W369 PolarHBondContact O-NE1 3.42Å; V148-W369 VanDerWaalsContact O-NE1 3.07Å; S150-W369 PolarHBondContact O-NE1 3.16Å; Q151-W369 HydrophobicContact CB-CB 4.49Å; Q151-W369 HydrophobicContact CB-CD2 3.89Å; Q151-W369 HydrophobicContact CB-CE3 4.04Å; Q151-W369 HydrophobicContact CB-CG 4.08Å; Q151-W369 HydrophobicContact CG-CB 4.25Å; Q151-W369 HydrophobicContact CG-CG 4.37Å; W154-W369 HydrophobicContact CB-CG 4.45Å; W154-W369 HydrophobicContact CG-CB 4.34Å; S367-W369 PolarHBondContact O-N 3.21Å; S367-W369 PolarHBondContact OG-N 3.31Å; W369-V371 VanDerWaalsContact C-N 3.32Å; W369-V371 PolarHBondContact O-N 2.79Å; W369-I372 VanDerWaalsContact O-CG2 3.24Å; W369-I372 WeakPolarHBondContact O-CG2 3.39Å; W369-K373 HydrophobicContact CZ2-CD 4.16Å; W369-K373 VanDerWaalsContact O-CB 3.28Å; W369-K373 WeakPolarHBondContact O-CB 3.4Å; W369-K373 PolarHBondContact O-N 3.12Å
370	S	92.7	Very high	89.8	Confident	40 Å²	40	64.5 Å²	64.5	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-39.1	176.4	65.1	0	0	0	0	111.2	S367 K373 E374	S367-S370 PolarHBondContact O-N 2.84Å; S367-S370 VanDerWaalsContact O-N 3.16Å; S367-S370 PolarHBondContact O-OG 3.31Å; S370-K373 PolarHBondContact O-N 3.28Å; S370-E374 WeakPolarHBondContact O-CG 3.45Å; S370-E374 PolarHBondContact O-N 3.01Å
371	V	94	Very high	90.1	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-50.2	177.2	-178.1	0	0	0	0	111.8	I303 Y304 R368 W369 K373 E374 L375	I303-V371 HydrophobicContact CD1-CG1 4.01Å; I303-V371 HydrophobicContact CG1-CG1 3.97Å; Y304-V371 HydrophobicContact CD1-CG1 3.75Å; Y304-V371 HydrophobicContact CD1-CG2 4.39Å; Y304-V371 HydrophobicContact CE1-CB 4.33Å; Y304-V371 HydrophobicContact CE1-CG1 3.63Å; Y304-V371 HydrophobicContact CE1-CG2 4.02Å; R368-V371 PolarHBondContact O-N 2.84Å; W369-V371 VanDerWaalsContact C-N 3.32Å; W369-V371 PolarHBondContact O-N 2.79Å; V371-K373 VanDerWaalsContact C-N 3.28Å; V371-K373 PolarHBondContact O-N 3.38Å; V371-E374 WeakPolarHBondContact O-CB 3.25Å; V371-E374 PolarHBondContact O-N 2.89Å; V371-L375 PolarHBondContact O-N 3.35Å
372	I	94.8	Very high	90.5	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-31.4	-179.8	-169.1	59.4	0	0	0	111.7	F144 V148 W154 L335 P336 R368 W369 L375 R376	F144-I372 HydrophobicContact CE2-CD1 3.59Å; F144-I372 HydrophobicContact CE2-CG1 3.84Å; F144-I372 HydrophobicContact CZ-CD1 3.88Å; V148-I372 HydrophobicContact CG1-CB 4.46Å; V148-I372 HydrophobicContact CG1-CG1 3.94Å; V148-I372 HydrophobicContact CG1-CG2 4.04Å; W154-I372 HydrophobicContact CD2-CG2 3.94Å; W154-I372 HydrophobicContact CE3-CG1 4.27Å; W154-I372 HydrophobicContact CE3-CG2 3.96Å; W154-I372 HydrophobicContact CG-CG2 4.42Å; W154-I372 HydrophobicContact CH2-CG1 4.34Å; W154-I372 HydrophobicContact CZ3-CB 4.43Å; W154-I372 HydrophobicContact CZ3-CG1 3.93Å; W154-I372 HydrophobicContact CZ3-CG2 4.28Å; L335-I372 HydrophobicContact CD2-CD1 3.62Å; L335-I372 HydrophobicContact CD2-CG1 4.42Å; P336-I372 HydrophobicContact CG-CB 4.07Å; R368-I372 PolarHBondContact O-N 2.84Å; W369-I372 VanDerWaalsContact O-CG2 3.24Å; W369-I372 WeakPolarHBondContact O-CG2 3.39Å; I372-L375 HydrophobicContact CD1-CB 4.4Å; I372-L375 HydrophobicContact CD1-CD2 3.8Å; I372-L375 WeakPolarHBondContact O-CB 3.43Å; I372-L375 PolarHBondContact O-N 2.98Å; I372-R376 PolarHBondContact O-N 3.41Å
373	K	94.6	Very high	90.8	Very high	91 Å²	91	67 Å²	67	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-42	173.1	-174.3	177.6	179.6	178	0	112.3	V148 W369 S370 V371 R376 N377	V148-K373 HydrophobicContact CB-CB 4.37Å; W369-K373 HydrophobicContact CZ2-CD 4.16Å; W369-K373 VanDerWaalsContact O-CB 3.28Å; W369-K373 WeakPolarHBondContact O-CB 3.4Å; W369-K373 PolarHBondContact O-N 3.12Å; S370-K373 PolarHBondContact O-N 3.28Å; V371-K373 VanDerWaalsContact C-N 3.28Å; V371-K373 PolarHBondContact O-N 3.38Å; K373-R376 PolarHBondContact O-N 2.88Å; K373-N377 PolarHBondContact O-N 3.24Å; K373-N377 PolarHBondContact O-ND2 3.39Å
374	E	94.5	Very high	91.3	Very high	91 Å²	91	61.3 Å²	61.3	43%	0.425	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-46.6	171.3	-78.3	176.1	-159.5	0	0	111.1	R364 S370 V371 R376 N377 E378	R364-E374 IonicContact CZ-OE2 2.61Å; R364-E374 IonicContact NE-OE2 3.16Å; R364-E374 PolarHBondContact NE-OE2 3.24Å; R364-E374 VanDerWaalsContact NE-OE2 3.16Å; R364-E374 IonicContact NH2-OE2 3.18Å; R364-E374 PolarHBondContact NH2-OE2 3.13Å; S370-E374 WeakPolarHBondContact O-CG 3.45Å; S370-E374 PolarHBondContact O-N 3.01Å; V371-E374 WeakPolarHBondContact O-CB 3.25Å; V371-E374 PolarHBondContact O-N 2.89Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.27Å; E374-N377 PolarHBondContact O-N 3.48Å; E374-N377 VanDerWaalsContact O-N 3.14Å; E374-E378 WeakPolarHBondContact O-CB 3.29Å; E374-E378 PolarHBondContact O-N 2.63Å
375	L	96.4	Very high	92.1	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-43.1	177.9	-164.9	76.8	0	0	0	111.8	F144 I303 V333 V371 I372 N377 E378 S379 M385 V387	F144-L375 HydrophobicContact CZ-CB 4.41Å; F144-L375 HydrophobicContact CZ-CD2 4.21Å; F144-L375 HydrophobicContact CZ-CG 4.42Å; I303-L375 HydrophobicContact CD1-CD2 4.05Å; I303-L375 HydrophobicContact CG1-CD1 4.22Å; I303-L375 HydrophobicContact CG1-CD2 4.02Å; V333-L375 HydrophobicContact CG2-CD1 4.35Å; V333-L375 HydrophobicContact CG2-CD2 3.96Å; V371-L375 PolarHBondContact O-N 3.35Å; I372-L375 HydrophobicContact CD1-CB 4.4Å; I372-L375 HydrophobicContact CD1-CD2 3.8Å; I372-L375 WeakPolarHBondContact O-CB 3.43Å; I372-L375 PolarHBondContact O-N 2.98Å; L375-N377 VanDerWaalsContact C-N 3.34Å; L375-N377 PolarHBondContact O-N 2.89Å; L375-E378 PolarHBondContact O-N 3.1Å; L375-S379 WeakPolarHBondContact O-CB 3.49Å; L375-S379 PolarHBondContact O-N 3.31Å; L375-M385 HydrophobicContact CD1-CE 3.33Å; L375-M385 HydrophobicContact CD1-SD 4.43Å; L375-M385 HydrophobicContact CG-CE 3.88Å; L375-V387 HydrophobicContact CD2-CG1 4.32Å
376	R	96.1	Very high	93.7	Very high	35 Å²	35	50 Å²	50	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.1	-175.8	-89.9	179.6	-179.4	4.2	111.4	D142 F144 T145 V148 I372 K373 E374 S379 K380	D142-R376 IonicContact OD2-NH2 3.95Å; F144-R376 HydrophobicContact CB-CG 4.35Å; F144-R376 HydrophobicContact CD1-CB 4Å; F144-R376 HydrophobicContact CD1-CG 3.78Å; F144-R376 HydrophobicContact CD2-CB 3.95Å; F144-R376 HydrophobicContact CD2-CG 3.93Å; F144-R376 VanDerWaalsContact CE1-CA 3.45Å; F144-R376 HydrophobicContact CE1-CB 3.75Å; F144-R376 HydrophobicContact CE1-CG 4.06Å; F144-R376 HydrophobicContact CE2-CB 3.67Å; F144-R376 HydrophobicContact CE2-CG 4.19Å; F144-R376 HydrophobicContact CG-CB 4.12Å; F144-R376 HydrophobicContact CG-CG 3.72Å; F144-R376 HydrophobicContact CZ-CB 3.57Å; F144-R376 HydrophobicContact CZ-CG 4.26Å; T145-R376 PolarHBondContact OG1-NE 3.28Å; T145-R376 PolarHBondContact OG1-NH2 2.94Å; V148-R376 HydrophobicContact CG1-CB 4.13Å; V148-R376 HydrophobicContact CG2-CB 4.01Å; V148-R376 HydrophobicContact CG2-CG 3.83Å; I372-R376 PolarHBondContact O-N 3.41Å; K373-R376 PolarHBondContact O-N 2.88Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.27Å; R376-S379 PolarHBondContact O-N 3.41Å; R376-K380 VanDerWaalsContact O-CB 3.28Å; R376-K380 WeakPolarHBondContact O-CB 3.49Å; R376-K380 PolarHBondContact O-N 3.42Å
377	N	96.5	Very high	95	Very high	79 Å²	79	41.5 Å²	41.5	42%	0.422	19%	0.194	S	C	.	.	H	α-helix	trans	-66.9	-41	178.7	-70.7	-20.7	0	0	0	111.8	K373 E374 L375 K380 F381	K373-N377 PolarHBondContact O-N 3.24Å; K373-N377 PolarHBondContact O-ND2 3.39Å; E374-N377 PolarHBondContact O-N 3.48Å; E374-N377 VanDerWaalsContact O-N 3.14Å; L375-N377 VanDerWaalsContact C-N 3.34Å; L375-N377 PolarHBondContact O-N 2.89Å; N377-K380 PolarHBondContact O-N 2.77Å; N377-F381 WeakPolarHBondContact O-CB 3.39Å; N377-F381 PolarHBondContact O-N 2.87Å
378	E	97.3	Very high	95.3	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-51.8	173.1	-176.1	-172.9	176	0	0	110.9	Y306 R309 R313 E374 L375 K380 F381 Y382 M385	Y306-E378 HydrophobicContact CD2-CG 4.39Å; Y306-E378 WeakPolarHBondContact CD2-OE2 3.16Å; Y306-E378 HydrophobicContact CE2-CG 4.13Å; R309-E378 IonicContact CZ-OE1 3.66Å; R309-E378 IonicContact CZ-OE2 4Å; R309-E378 VanDerWaalsContact NE-CD 3.34Å; R309-E378 IonicContact NE-OE1 3.79Å; R309-E378 PolarHBondContact NE-OE1 3.26Å; R309-E378 IonicContact NE-OE2 3.22Å; R309-E378 PolarHBondContact NE-OE2 3.14Å; R309-E378 IonicContact NH2-OE1 2.62Å; R309-E378 IonicContact NH2-OE2 2.84Å; R309-E378 PolarHBondContact NH2-OE2 3.44Å; R313-E378 IonicContact CZ-OE1 3.3Å; R313-E378 VanDerWaalsContact CZ-OE1 3.27Å; R313-E378 IonicContact NH1-OE1 2.79Å; R313-E378 PolarHBondContact NH1-OE1 3.08Å; R313-E378 IonicContact NH2-OE1 2.64Å; R313-E378 PolarHBondContact NH2-OE1 3.15Å; E374-E378 WeakPolarHBondContact O-CB 3.29Å; E374-E378 PolarHBondContact O-N 2.63Å; L375-E378 PolarHBondContact O-N 3.1Å; E378-K380 VanDerWaalsContact C-N 3.33Å; E378-K380 PolarHBondContact O-N 3.26Å; E378-F381 PolarHBondContact O-N 2.97Å; E378-F381 VanDerWaalsContact O-N 3.14Å; E378-Y382 HydrophobicContact CG-CD2 3.73Å; E378-Y382 HydrophobicContact CG-CE2 4Å; E378-Y382 WeakPolarHBondContact O-CD2 3.43Å; E378-Y382 PolarHBondContact O-N 3.47Å; E378-M385 HydrophobicContact CB-SD 4.21Å; E378-M385 HydrophobicContact CG-SD 3.9Å
379	S	96.1	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-44.4	178	-177.1	0	0	0	0	111.9	E278 L375 R376 F381 G383 M385	E278-S379 WeakPolarHBondContact CG-OG 3.46Å; L375-S379 WeakPolarHBondContact O-CB 3.49Å; L375-S379 PolarHBondContact O-N 3.31Å; R376-S379 PolarHBondContact O-N 3.41Å; S379-F381 VanDerWaalsContact C-N 3.31Å; S379-F381 PolarHBondContact O-N 3.08Å; S379-G383 VanDerWaalsContact O-CA 3.24Å; S379-G383 WeakPolarHBondContact O-CA 3.25Å; S379-G383 PolarHBondContact O-N 3.19Å; S379-M385 VanDerWaalsContact CA-SD 3.55Å
380	K	94.7	Very high	95.2	Very high	112 Å²	112	35.1 Å²	35.1	49%	0.487	16%	0.164	S	C	.	.	H	α-helix	trans	-64.1	-35.6	177.4	-176.4	169.2	-176.9	167.6	0	112.5	R281 R376 N377 E378	R281-K380 PolarHBondContact NH2-O 3.3Å; R376-K380 VanDerWaalsContact O-CB 3.28Å; R376-K380 WeakPolarHBondContact O-CB 3.49Å; R376-K380 PolarHBondContact O-N 3.42Å; N377-K380 PolarHBondContact O-N 2.77Å; E378-K380 VanDerWaalsContact C-N 3.33Å; E378-K380 PolarHBondContact O-N 3.26Å
381	F	96.6	Very high	95.2	Very high	158 Å²	158	35.2 Å²	35.2	69%	0.693	16%	0.159	S	C	*	.	H	α-helix	trans	-75.4	-47.2	-178.9	-175	-93.6	0	0	0	112.2	N377 E378 S379	N377-F381 WeakPolarHBondContact O-CB 3.39Å; N377-F381 PolarHBondContact O-N 2.87Å; E378-F381 PolarHBondContact O-N 2.97Å; E378-F381 VanDerWaalsContact O-N 3.14Å; S379-F381 VanDerWaalsContact C-N 3.31Å; S379-F381 PolarHBondContact O-N 3.08Å
382	Y	96.9	Very high	95.2	Very high	85 Å²	85	35.7 Å²	35.7	33%	0.333	16%	0.162	S	C	.	.	H	α-helix	trans	-93.1	-26.6	-174.3	-65.2	-71.8	0	0	0	114.2	R313 E378 D384	R313-Y382 VanDerWaalsContact CZ-CD2 3.45Å; E378-Y382 HydrophobicContact CG-CD2 3.73Å; E378-Y382 HydrophobicContact CG-CE2 4Å; E378-Y382 WeakPolarHBondContact O-CD2 3.43Å; E378-Y382 PolarHBondContact O-N 3.47Å; Y382-D384 VanDerWaalsContact CB-OD1 3.3Å; Y382-D384 WeakPolarHBondContact CB-OD1 3.44Å; Y382-D384 PolarHBondContact O-N 2.89Å
383	G	95.2	Very high	95	Very high	6 Å²	6	36.5 Å²	36.5	6%	0.062	17%	0.167	C	C	.	.			trans	65.8	19.9	-179.5	0	0	0	0	0	114.4	P280 R281 S282 S379	P280-G383 CarbonylContact C-O 3.58Å; P280-G383 WeakPolarHBondContact CA-O 3.46Å; R281-G383 PolarHBondContact N-O 2.83Å; S282-G383 WeakPolarHBondContact CB-O 2.81Å; S282-G383 PolarHBondContact N-O 2.69Å; S282-G383 PolarHBondContact OG-O 2.9Å; S282-G383 VanDerWaalsContact OG-O 3.13Å; S379-G383 VanDerWaalsContact O-CA 3.24Å; S379-G383 WeakPolarHBondContact O-CA 3.25Å; S379-G383 PolarHBondContact O-N 3.19Å
384	D	97.1	Very high	94.9	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	16%	0.16	C	C	.	.			trans	-115	23.9	-171.3	64.7	-1.6	0	0	0	113.5	R313 V330 F331 Y382	R313-D384 IonicContact CZ-OD1 2.75Å; R313-D384 IonicContact CZ-OD2 3.2Å; R313-D384 IonicContact NE-OD1 2.93Å; R313-D384 IonicContact NE-OD2 2.64Å; R313-D384 PolarHBondContact NE-OD2 3.18Å; R313-D384 IonicContact NH2-OD1 2.95Å; R313-D384 PolarHBondContact NH2-OD1 2.72Å; R313-D384 IonicContact NH2-OD2 2.79Å; R313-D384 PolarHBondContact NH2-OD2 2.89Å; V330-D384 CarbonylContact C-O 3.53Å; V330-D384 WeakPolarHBondContact CA-O 3.39Å; F331-D384 PolarHBondContact N-O 3.42Å; Y382-D384 VanDerWaalsContact CB-OD1 3.3Å; Y382-D384 WeakPolarHBondContact CB-OD1 3.44Å; Y382-D384 PolarHBondContact O-N 2.89Å
385	M	97.3	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.6	-174.5	-53.3	-170.5	66	0	0	112.3	T279 P280 F331 V333 L375 E378 S379 V387	T279-M385 CarbonylContact C-O 3.58Å; P280-M385 WeakPolarHBondContact CD-O 3.25Å; P280-M385 VanDerWaalsContact N-O 3.14Å; F331-M385 WeakPolarHBondContact O-CA 3.45Å; V333-M385 HydrophobicContact CG1-CE 4.13Å; V333-M385 HydrophobicContact CG2-CE 3.72Å; L375-M385 HydrophobicContact CD1-CE 3.33Å; L375-M385 HydrophobicContact CD1-SD 4.43Å; L375-M385 HydrophobicContact CG-CE 3.88Å; E378-M385 HydrophobicContact CB-SD 4.21Å; E378-M385 HydrophobicContact CG-SD 3.9Å; S379-M385 VanDerWaalsContact CA-SD 3.55Å; M385-V387 HydrophobicContact CB-CG2 4.25Å
386	L	97.1	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.4	164.7	178.3	62.2	0	0	0	107.8	V276 T279 V330 F331 V332 V333 L403 W407	V276-L386 HydrophobicContact CG1-CD1 4.27Å; T279-L386 HydrophobicContact CG2-CD1 4.34Å; V330-L386 HydrophobicContact CG1-CB 3.71Å; F331-L386 PolarHBondContact O-N 2.97Å; V332-L386 WeakPolarHBondContact CA-O 3.5Å; V332-L386 HydrophobicContact CG1-CD2 4.19Å; V332-L386 HydrophobicContact CG1-CG 4.39Å; V332-L386 HydrophobicContact CG2-CB 4.42Å; V332-L386 HydrophobicContact CG2-CD2 4.26Å; V333-L386 PolarHBondContact N-O 3.03Å; L386-L403 HydrophobicContact CD1-CD1 4.49Å; L386-L403 HydrophobicContact CD2-CD2 4.32Å; L386-L403 HydrophobicContact CD2-CG 4Å; L386-L403 HydrophobicContact CG-CD2 4.06Å; L386-L403 HydrophobicContact CG-CG 4.21Å; L386-W407 HydrophobicContact CD1-CB 4.29Å; L386-W407 HydrophobicContact CD1-CG 3.89Å; L386-W407 HydrophobicContact CD2-CB 3.69Å; L386-W407 HydrophobicContact CD2-CD2 3.82Å; L386-W407 HydrophobicContact CD2-CE3 4.1Å; L386-W407 HydrophobicContact CD2-CG 3.62Å; L386-W407 HydrophobicContact CG-CG 4.41Å
387	V	95.8	Very high	94.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.7	-175.5	-172.5	0	0	0	0	109.6	F144 V277 E278 V333 L335 L375 M385	F144-V387 HydrophobicContact CE1-CG2 3.96Å; F144-V387 HydrophobicContact CZ-CG1 4.42Å; F144-V387 HydrophobicContact CZ-CG2 4.41Å; V277-V387 HydrophobicContact CB-CB 4.14Å; V277-V387 HydrophobicContact CB-CG1 3.95Å; V277-V387 HydrophobicContact CG1-CG1 4.22Å; V277-V387 PolarHBondContact N-O 3.04Å; E278-V387 HydrophobicContact CB-CB 3.93Å; E278-V387 HydrophobicContact CB-CG2 3.86Å; E278-V387 PolarHBondContact N-O 2.86Å; E278-V387 PolarHBondContact O-N 3.33Å; V333-V387 HydrophobicContact CG2-CB 4.3Å; V333-V387 HydrophobicContact CG2-CG1 4.28Å; V333-V387 HydrophobicContact CG2-CG2 3.76Å; V333-V387 WeakPolarHBondContact O-CA 3.46Å; L335-V387 HydrophobicContact CD2-CG1 4.32Å; L375-V387 HydrophobicContact CD2-CG1 4.32Å; M385-V387 HydrophobicContact CB-CG2 4.25Å
388	G	93.8	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.3	176.1	0	0	0	0	0	113.1	V333 L335 F390 L403	V333-G388 PolarHBondContact O-N 3.18Å; L335-G388 WeakPolarHBondContact CG-O 3.25Å; G388-F390 PolarHBondContact O-N 3.36Å; G388-L403 VanDerWaalsContact CA-CD2 3.41Å
389	G	89.8	Confident	94.4	Very high	2 Å²	2	30 Å²	30	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	41.4	174	0	0	0	0	0	114	L161 F275	L161-G389 WeakPolarHBondContact CD2-O 3.41Å; F275-G389 PolarHBondContact O-N 2.7Å
390	F	90.9	Very high	94.4	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.7	175.5	57.1	-100.7	0	0	0	109.7	G334 L335 G388 D392 N396 T399 K400 L403	G334-F390 CarbonylContact C-O 3.53Å; G334-F390 WeakPolarHBondContact CA-O 3.33Å; L335-F390 WeakPolarHBondContact CB-O 3.3Å; L335-F390 PolarHBondContact N-O 3.45Å; G388-F390 PolarHBondContact O-N 3.36Å; F390-D392 PolarHBondContact O-N 3.35Å; F390-N396 HydrophobicContact CD2-CB 4.5Å; F390-T399 HydrophobicContact CB-CG2 4.09Å; F390-T399 HydrophobicContact CD1-CG2 3.66Å; F390-T399 HydrophobicContact CD2-CG2 4.47Å; F390-T399 HydrophobicContact CE1-CG2 4.21Å; F390-T399 HydrophobicContact CG-CG2 3.82Å; F390-K400 HydrophobicContact CE2-CB 3.85Å; F390-K400 HydrophobicContact CE2-CG 4.38Å; F390-K400 VanDerWaalsContact CZ-CA 3.44Å; F390-K400 HydrophobicContact CZ-CB 3.6Å; F390-K400 HydrophobicContact CZ-CG 3.95Å; F390-L403 HydrophobicContact CE1-CB 4.06Å; F390-L403 HydrophobicContact CE1-CD2 3.66Å; F390-L403 HydrophobicContact CE1-CG 4.48Å; F390-L403 HydrophobicContact CZ-CD2 4.17Å
391	F	92.7	Very high	94.6	Very high	42 Å²	42	24.9 Å²	24.9	18%	0.184	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.6	177.9	-63.9	-54.8	0	0	0	112.2	I158 N162 L335 I337 T393 N396	I158-F391 HydrophobicContact CD1-CE1 3.78Å; I158-F391 HydrophobicContact CD1-CZ 4.29Å; I158-F391 HydrophobicContact CG2-CZ 4.22Å; N162-F391 WeakPolarHBondContact OD1-CE2 3.43Å; N162-F391 WeakPolarHBondContact OD1-CZ 3.23Å; L335-F391 HydrophobicContact CB-CD1 4.45Å; L335-F391 CarbonylContact O-C 3.53Å; L335-F391 WeakPolarHBondContact O-CA 3.19Å; I337-F391 HydrophobicContact CB-CD1 4.39Å; I337-F391 HydrophobicContact CD1-CB 4.1Å; I337-F391 HydrophobicContact CD1-CG 4.49Å; I337-F391 HydrophobicContact CG1-CB 3.58Å; I337-F391 HydrophobicContact CG1-CD1 3.76Å; I337-F391 HydrophobicContact CG1-CD2 4.42Å; I337-F391 HydrophobicContact CG1-CG 3.67Å; F391-T393 HydrophobicContact CB-CG2 4.43Å; F391-T393 PolarHBondContact O-N 3Å; F391-N396 WeakPolarHBondContact O-CB 3.31Å; F391-N396 PolarHBondContact O-ND2 3.34Å
392	D	94.2	Very high	94.5	Very high	15 Å²	15	17.4 Å²	17.4	8%	0.08	8%	0.083	C	C	.	.			trans	-78.5	86.6	-177.5	-162.1	-9.6	0	0	0	111.5	I303 G334 L335 F390 K400	I303-D392 HydrophobicContact CB-CB 4.21Å; I303-D392 HydrophobicContact CG2-CB 4.09Å; I303-D392 PolarHBondContact N-OD2 3.46Å; G334-D392 PolarHBondContact N-OD2 3.27Å; L335-D392 PolarHBondContact O-N 3.38Å; F390-D392 PolarHBondContact O-N 3.35Å; D392-K400 VanDerWaalsContact CG-NZ 3.27Å; D392-K400 WeakPolarHBondContact OD1-CE 3.42Å; D392-K400 IonicContact OD1-NZ 2.77Å; D392-K400 PolarHBondContact OD1-NZ 3.17Å; D392-K400 IonicContact OD2-NZ 3.77Å; D392-K400 PolarHBondContact OD2-NZ 3.43Å
393	T	92	Very high	94.4	Very high	18 Å²	18	13.3 Å²	13.3	11%	0.11	7%	0.067	C	C	.	.			trans	-124.2	163.2	177.4	71.5	0	0	0	0	111.6	I337 F391 F395 N396	I337-T393 HydrophobicContact CD1-CG2 3.29Å; I337-T393 HydrophobicContact CG1-CG2 4.26Å; F391-T393 HydrophobicContact CB-CG2 4.43Å; F391-T393 PolarHBondContact O-N 3Å; T393-F395 VanDerWaalsContact C-N 3.26Å; T393-F395 PolarHBondContact O-N 3.16Å; T393-N396 PolarHBondContact O-N 3.1Å; T393-N396 VanDerWaalsContact O-N 3.17Å; T393-N396 WeakPolarHBondContact OG1-CB 3.5Å; T393-N396 PolarHBondContact OG1-N 3.38Å; T393-N396 PolarHBondContact OG1-ND2 3.13Å
394	Y	91.8	Very high	94.5	Very high	66 Å²	66	13.1 Å²	13.1	26%	0.259	7%	0.065	S	C	.	.	G	3₁₀ helix	trans	-58.2	-37.9	174.2	-174.8	-101.5	0	0	0	112.6	L353 N396 L397 K470 W471	L353-Y394 VanDerWaalsContact CD1-CB 3.47Å; L353-Y394 HydrophobicContact CD1-CD1 3.9Å; L353-Y394 HydrophobicContact CD1-CG 3.94Å; Y394-N396 VanDerWaalsContact C-N 3.31Å; Y394-N396 PolarHBondContact O-N 3.4Å; Y394-L397 HydrophobicContact CD2-CD1 3.71Å; Y394-L397 HydrophobicContact CE2-CD1 3.73Å; Y394-L397 HydrophobicContact CG-CD1 4.36Å; Y394-L397 WeakPolarHBondContact O-CB 3.17Å; Y394-L397 VanDerWaalsContact O-CD1 3.29Å; Y394-L397 WeakPolarHBondContact O-CD1 3.47Å; Y394-L397 WeakPolarHBondContact O-CG 3.34Å; Y394-L397 PolarHBondContact O-N 3.1Å; Y394-K470 HydrophobicContact CE1-CB 4.31Å; Y394-K470 HydrophobicContact CE1-CD 3.85Å; Y394-K470 HydrophobicContact CE1-CG 4.1Å; Y394-W471 PolarHBondContact OH-NE1 2.98Å
395	F	92	Very high	94.6	Very high	10 Å²	10	12.7 Å²	12.7	4%	0.044	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-83.3	-6.3	-179.1	-63.2	-61.5	0	0	0	113.8	H344 F346 I351 L353 T393 R513	H344-F395 HydrophobicContact CB-CD2 3.88Å; H344-F395 HydrophobicContact CB-CE2 3.7Å; H344-F395 AromaticContact CD2-CD2 3.96Å; H344-F395 AromaticContact CD2-CE2 3.73Å; H344-F395 AromaticContact CG-CD2 3.59Å; H344-F395 AromaticContact CG-CE2 3.62Å; H344-F395 AromaticContact ND1-CD2 3.78Å; F346-F395 HydrophobicContact CE2-CD1 4.13Å; F346-F395 AromaticContact CE2-CD2 3.46Å; F346-F395 HydrophobicContact CE2-CD2 3.46Å; F346-F395 VanDerWaalsContact CE2-CD2 3.46Å; F346-F395 HydrophobicContact CE2-CE1 4.14Å; F346-F395 AromaticContact CE2-CE2 3.47Å; F346-F395 HydrophobicContact CE2-CE2 3.47Å; F346-F395 VanDerWaalsContact CE2-CE2 3.47Å; F346-F395 AromaticContact CE2-CG 3.8Å; F346-F395 HydrophobicContact CE2-CG 3.8Å; F346-F395 AromaticContact CE2-CZ 3.82Å; F346-F395 HydrophobicContact CE2-CZ 3.82Å; F346-F395 HydrophobicContact CZ-CB 3.83Å; F346-F395 HydrophobicContact CZ-CD1 4.06Å; F346-F395 AromaticContact CZ-CD2 3.53Å; F346-F395 HydrophobicContact CZ-CD2 3.53Å; F346-F395 HydrophobicContact CZ-CE2 4.05Å; F346-F395 AromaticContact CZ-CG 3.53Å; F346-F395 HydrophobicContact CZ-CG 3.53Å; I351-F395 HydrophobicContact CB-CZ 4.45Å; I351-F395 HydrophobicContact CD1-CZ 4.2Å; I351-F395 HydrophobicContact CG2-CZ 4.06Å; L353-F395 HydrophobicContact CD1-CD2 3.98Å; L353-F395 HydrophobicContact CD1-CE2 3.46Å; L353-F395 VanDerWaalsContact CD1-CE2 3.46Å; L353-F395 HydrophobicContact CD1-CZ 3.98Å; L353-F395 HydrophobicContact CD2-CE2 4.27Å; L353-F395 HydrophobicContact CD2-CZ 4.1Å; L353-F395 HydrophobicContact CG-CE2 3.93Å; L353-F395 HydrophobicContact CG-CZ 4.27Å; T393-F395 VanDerWaalsContact C-N 3.26Å; T393-F395 PolarHBondContact O-N 3.16Å; F395-R513 HydrophobicContact CD1-CB 4.26Å
396	N	93.3	Very high	94.3	Very high	51 Å²	51	12.7 Å²	12.7	27%	0.273	6%	0.062	S	C	.	.	G	3₁₀ helix	trans	-98.8	14.9	171	-69.6	-11.8	0	0	0	112.6	F390 F391 T393 Y394 T398 T399 K400	F390-N396 HydrophobicContact CD2-CB 4.5Å; F391-N396 WeakPolarHBondContact O-CB 3.31Å; F391-N396 PolarHBondContact O-ND2 3.34Å; T393-N396 PolarHBondContact O-N 3.1Å; T393-N396 VanDerWaalsContact O-N 3.17Å; T393-N396 WeakPolarHBondContact OG1-CB 3.5Å; T393-N396 PolarHBondContact OG1-N 3.38Å; T393-N396 PolarHBondContact OG1-ND2 3.13Å; Y394-N396 VanDerWaalsContact C-N 3.31Å; Y394-N396 PolarHBondContact O-N 3.4Å; N396-T398 VanDerWaalsContact C-N 3.25Å; N396-T398 PolarHBondContact O-N 3.47Å; N396-T399 PolarHBondContact O-N 3.48Å; N396-K400 PolarHBondContact O-N 3.19Å
397	L	95.4	Very high	94.2	Very high	23 Å²	23	12.7 Å²	12.7	12%	0.12	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-34.6	176.2	-75	174.3	0	0	0	112.3	Y394 K400 M401 D515	Y394-L397 HydrophobicContact CD2-CD1 3.71Å; Y394-L397 HydrophobicContact CE2-CD1 3.73Å; Y394-L397 HydrophobicContact CG-CD1 4.36Å; Y394-L397 WeakPolarHBondContact O-CB 3.17Å; Y394-L397 VanDerWaalsContact O-CD1 3.29Å; Y394-L397 WeakPolarHBondContact O-CD1 3.47Å; Y394-L397 WeakPolarHBondContact O-CG 3.34Å; Y394-L397 PolarHBondContact O-N 3.1Å; L397-K400 HydrophobicContact CD2-CD 4.5Å; L397-K400 WeakPolarHBondContact O-CB 3.25Å; L397-K400 PolarHBondContact O-N 2.83Å; L397-M401 WeakPolarHBondContact O-CB 3.37Å; L397-M401 PolarHBondContact O-N 2.76Å; L397-D515 HydrophobicContact CB-CB 3.94Å
398	T	95.4	Very high	94.2	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.025	6%	0.063	C	C	.	.	H	α-helix	trans	-62.3	-48	174.8	-62.3	0	0	0	0	111.6	N396 K400 M401 M402 L512 D515 Y518	N396-T398 VanDerWaalsContact C-N 3.25Å; N396-T398 PolarHBondContact O-N 3.47Å; T398-K400 VanDerWaalsContact C-N 3.3Å; T398-K400 PolarHBondContact O-N 3.44Å; T398-M401 WeakPolarHBondContact O-CB 3.33Å; T398-M401 PolarHBondContact O-N 3.16Å; T398-M401 VanDerWaalsContact O-N 3.12Å; T398-M402 HydrophobicContact CG2-SD 4.11Å; T398-M402 WeakPolarHBondContact O-CG 3.49Å; T398-M402 PolarHBondContact O-N 2.93Å; T398-L512 WeakPolarHBondContact CB-O 3.23Å; T398-L512 PolarHBondContact OG1-O 3.09Å; T398-D515 WeakPolarHBondContact OG1-CA 3.35Å; T398-Y518 HydrophobicContact CG2-CD1 3.38Å; T398-Y518 HydrophobicContact CG2-CD2 4.46Å; T398-Y518 HydrophobicContact CG2-CE1 3.6Å; T398-Y518 HydrophobicContact CG2-CG 3.84Å
399	T	94.3	Very high	94.2	Very high	19 Å²	19	12.8 Å²	12.8	12%	0.117	6%	0.063	C	C	.	.	H	α-helix	trans	-58.9	-41.2	174.6	-49.1	0	0	0	0	111.4	L274 F390 N396 M402 L403	L274-T399 HydrophobicContact CD2-CG2 3.49Å; L274-T399 VanDerWaalsContact CD2-CG2 3.49Å; F390-T399 HydrophobicContact CB-CG2 4.09Å; F390-T399 HydrophobicContact CD1-CG2 3.66Å; F390-T399 HydrophobicContact CD2-CG2 4.47Å; F390-T399 HydrophobicContact CE1-CG2 4.21Å; F390-T399 HydrophobicContact CG-CG2 3.82Å; N396-T399 PolarHBondContact O-N 3.48Å; T399-M402 PolarHBondContact O-N 3.16Å; T399-L403 PolarHBondContact O-N 3.27Å
400	K	97	Very high	94.2	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.017	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-41.3	174.2	-175	-179.9	-67.3	-175	0	112.7	K300 S301 V332 F390 D392 N396 L397 T398 L403 S404	K300-K400 HydrophobicContact CB-CD 4.45Å; K300-K400 HydrophobicContact CG-CD 4.31Å; S301-K400 PolarHBondContact O-NZ 3.47Å; V332-K400 HydrophobicContact CB-CG 4.31Å; V332-K400 HydrophobicContact CG1-CD 4.39Å; V332-K400 HydrophobicContact CG1-CG 3.7Å; F390-K400 HydrophobicContact CE2-CB 3.85Å; F390-K400 HydrophobicContact CE2-CG 4.38Å; F390-K400 VanDerWaalsContact CZ-CA 3.44Å; F390-K400 HydrophobicContact CZ-CB 3.6Å; F390-K400 HydrophobicContact CZ-CG 3.95Å; D392-K400 VanDerWaalsContact CG-NZ 3.27Å; D392-K400 WeakPolarHBondContact OD1-CE 3.42Å; D392-K400 IonicContact OD1-NZ 2.77Å; D392-K400 PolarHBondContact OD1-NZ 3.17Å; D392-K400 IonicContact OD2-NZ 3.77Å; D392-K400 PolarHBondContact OD2-NZ 3.43Å; N396-K400 PolarHBondContact O-N 3.19Å; L397-K400 HydrophobicContact CD2-CD 4.5Å; L397-K400 WeakPolarHBondContact O-CB 3.25Å; L397-K400 PolarHBondContact O-N 2.83Å; T398-K400 VanDerWaalsContact C-N 3.3Å; T398-K400 PolarHBondContact O-N 3.44Å; K400-L403 PolarHBondContact O-N 3.43Å; K400-S404 PolarHBondContact O-N 3.06Å; K400-S404 VanDerWaalsContact O-N 3.11Å; K400-S404 PolarHBondContact O-OG 3.39Å
401	M	97.2	Very high	94.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-43.8	174.6	-176.2	-179.5	61.3	0	0	111	L397 T398 L403 S404 F405 Y492 M506 D515 Y518 L519	L397-M401 WeakPolarHBondContact O-CB 3.37Å; L397-M401 PolarHBondContact O-N 2.76Å; T398-M401 WeakPolarHBondContact O-CB 3.33Å; T398-M401 PolarHBondContact O-N 3.16Å; T398-M401 VanDerWaalsContact O-N 3.12Å; M401-L403 VanDerWaalsContact C-N 3.32Å; M401-L403 PolarHBondContact O-N 2.87Å; M401-S404 WeakPolarHBondContact O-CA 3.28Å; M401-S404 VanDerWaalsContact O-CB 3.25Å; M401-S404 WeakPolarHBondContact O-CB 3.33Å; M401-S404 PolarHBondContact O-N 3.36Å; M401-S404 VanDerWaalsContact O-N 3.1Å; M401-F405 HydrophobicContact CG-CD2 3.79Å; M401-F405 HydrophobicContact CG-CE2 3.61Å; M401-F405 VanDerWaalsContact O-CD2 3.25Å; M401-F405 WeakPolarHBondContact O-CD2 3.06Å; M401-F405 PolarHBondContact O-N 3.44Å; M401-F405 HydrophobicContact SD-CE2 4.15Å; M401-Y492 PolarHBondContact SD-OH 2.78Å; M401-M506 HydrophobicContact CE-CE 3.97Å; M401-D515 HydrophobicContact CE-CB 4.43Å; M401-D515 VanDerWaalsContact CE-O 3.3Å; M401-D515 WeakPolarHBondContact CE-O 3.33Å; M401-Y518 HydrophobicContact CE-CD1 3.48Å; M401-Y518 VanDerWaalsContact CE-CD1 3.48Å; M401-Y518 HydrophobicContact CE-CE1 4.14Å; M401-L519 HydrophobicContact CE-CB 3.94Å; M401-L519 HydrophobicContact SD-CB 3.84Å; M401-L519 HydrophobicContact SD-CD1 4.34Å; M401-L519 HydrophobicContact SD-CD2 4.09Å; M401-L519 HydrophobicContact SD-CG 4.31Å
402	M	95.6	Very high	94.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.5	-42.9	176.5	-69.4	169.7	63.7	0	0	111.6	L274 T398 T399 S404 F405 R406 M506 N511 Y518	L274-M402 HydrophobicContact CD1-CB 3.68Å; T398-M402 HydrophobicContact CG2-SD 4.11Å; T398-M402 WeakPolarHBondContact O-CG 3.49Å; T398-M402 PolarHBondContact O-N 2.93Å; T399-M402 PolarHBondContact O-N 3.16Å; M402-S404 VanDerWaalsContact C-N 3.3Å; M402-S404 PolarHBondContact O-N 3.45Å; M402-F405 PolarHBondContact O-N 2.72Å; M402-R406 WeakPolarHBondContact O-CB 3.35Å; M402-R406 WeakPolarHBondContact O-CG 3.46Å; M402-R406 PolarHBondContact O-N 3.17Å; M402-M506 HydrophobicContact CB-SD 4.25Å; M402-M506 HydrophobicContact CE-CB 4.5Å; M402-M506 HydrophobicContact CG-CB 4.47Å; M402-M506 HydrophobicContact CG-CG 4.35Å; M402-M506 HydrophobicContact CG-SD 3.68Å; M402-N511 PolarHBondContact SD-OD1 2.79Å; M402-Y518 HydrophobicContact CG-CE1 4.18Å; M402-Y518 HydrophobicContact SD-CE1 4.3Å
403	L	94.9	Very high	94.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.1	-47.1	173.9	171.7	64.9	0	0	0	110.9	F184 L274 V276 V332 L386 G388 F390 T399 K400 M401 F405 R406 W407	F184-L403 HydrophobicContact CD2-CD1 3.79Å; F184-L403 HydrophobicContact CE2-CD1 3.77Å; L274-L403 HydrophobicContact CD1-CB 4.28Å; V276-L403 HydrophobicContact CG2-CD1 3.98Å; V332-L403 HydrophobicContact CG1-CD2 4.17Å; L386-L403 HydrophobicContact CD1-CD1 4.49Å; L386-L403 HydrophobicContact CD2-CD2 4.32Å; L386-L403 HydrophobicContact CD2-CG 4Å; L386-L403 HydrophobicContact CG-CD2 4.06Å; L386-L403 HydrophobicContact CG-CG 4.21Å; G388-L403 VanDerWaalsContact CA-CD2 3.41Å; F390-L403 HydrophobicContact CE1-CB 4.06Å; F390-L403 HydrophobicContact CE1-CD2 3.66Å; F390-L403 HydrophobicContact CE1-CG 4.48Å; F390-L403 HydrophobicContact CZ-CD2 4.17Å; T399-L403 PolarHBondContact O-N 3.27Å; K400-L403 PolarHBondContact O-N 3.43Å; M401-L403 VanDerWaalsContact C-N 3.32Å; M401-L403 PolarHBondContact O-N 2.87Å; L403-F405 VanDerWaalsContact C-N 3.34Å; L403-F405 PolarHBondContact O-N 3.16Å; L403-R406 PolarHBondContact O-N 2.97Å; L403-W407 VanDerWaalsContact O-CB 3.26Å; L403-W407 WeakPolarHBondContact O-CB 3.26Å; L403-W407 PolarHBondContact O-N 3.43Å
404	S	97.6	Very high	94.3	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-57.9	-45.8	179.4	-55.5	0	0	0	0	111.7	K400 M401 M402 A408	K400-S404 PolarHBondContact O-N 3.06Å; K400-S404 VanDerWaalsContact O-N 3.11Å; K400-S404 PolarHBondContact O-OG 3.39Å; M401-S404 WeakPolarHBondContact O-CA 3.28Å; M401-S404 VanDerWaalsContact O-CB 3.25Å; M401-S404 WeakPolarHBondContact O-CB 3.33Å; M401-S404 PolarHBondContact O-N 3.36Å; M401-S404 VanDerWaalsContact O-N 3.1Å; M402-S404 VanDerWaalsContact C-N 3.3Å; M402-S404 PolarHBondContact O-N 3.45Å; S404-A408 WeakPolarHBondContact O-CB 3.26Å; S404-A408 PolarHBondContact O-N 3.47Å
405	F	97.5	Very high	94.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.8	-42.8	-179.5	-84.5	-120.3	0	0	0	112.3	M401 M402 L403 A408 C409 F421 Y492 I494 V499 A502 M506 L519	M401-F405 HydrophobicContact CG-CD2 3.79Å; M401-F405 HydrophobicContact CG-CE2 3.61Å; M401-F405 VanDerWaalsContact O-CD2 3.25Å; M401-F405 WeakPolarHBondContact O-CD2 3.06Å; M401-F405 PolarHBondContact O-N 3.44Å; M401-F405 HydrophobicContact SD-CE2 4.15Å; M402-F405 PolarHBondContact O-N 2.72Å; L403-F405 VanDerWaalsContact C-N 3.34Å; L403-F405 PolarHBondContact O-N 3.16Å; F405-A408 PolarHBondContact O-N 2.85Å; F405-C409 VanDerWaalsContact O-CB 3.32Å; F405-C409 WeakPolarHBondContact O-CB 3.36Å; F405-C409 PolarHBondContact O-N 3.11Å; F405-F421 AromaticContact CD2-CE1 3.88Å; F405-F421 HydrophobicContact CD2-CE1 3.88Å; F405-F421 HydrophobicContact CD2-CZ 4.05Å; F405-F421 HydrophobicContact CE2-CD1 4.23Å; F405-F421 AromaticContact CE2-CE1 3.69Å; F405-F421 HydrophobicContact CE2-CE1 3.69Å; F405-F421 HydrophobicContact CE2-CE2 4.36Å; F405-F421 AromaticContact CE2-CZ 3.77Å; F405-F421 HydrophobicContact CE2-CZ 3.77Å; F405-F421 HydrophobicContact CZ-CZ 4.26Å; F405-Y492 HydrophobicContact CE2-CE2 4.34Å; F405-Y492 HydrophobicContact CZ-CE2 4.23Å; F405-I494 HydrophobicContact CE1-CD1 4.19Å; F405-I494 HydrophobicContact CZ-CD1 3.79Å; F405-V499 HydrophobicContact CB-CG1 4.24Å; F405-V499 HydrophobicContact CD1-CB 4.42Å; F405-V499 HydrophobicContact CD1-CG1 3.92Å; F405-V499 HydrophobicContact CE1-CG2 4.45Å; F405-V499 HydrophobicContact CG-CG1 4.13Å; F405-A502 HydrophobicContact CD1-CB 3.76Å; F405-A502 HydrophobicContact CE1-CB 3.73Å; F405-M506 HydrophobicContact CB-CE 4.26Å; F405-M506 HydrophobicContact CB-SD 4.18Å; F405-M506 HydrophobicContact CD1-CE 3.72Å; F405-M506 HydrophobicContact CD2-CE 4.22Å; F405-M506 HydrophobicContact CE1-CE 4.04Å; F405-M506 HydrophobicContact CG-CE 3.82Å; F405-M506 HydrophobicContact CG-SD 4.38Å; F405-M506 HydrophobicContact CZ-CE 4.41Å; F405-L519 HydrophobicContact CE1-CD1 3.84Å; F405-L519 HydrophobicContact CZ-CD1 3.6Å; F405-L519 HydrophobicContact CZ-CD2 4.19Å
406	R	93	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65	-46.4	177.6	-70.5	-165.5	-179	161.3	-0.4	111.3	F184 L189 E272 L274 M402 L403 A408 C409 V410 S503 S507	F184-R406 HydrophobicContact CB-CB 3.85Å; F184-R406 HydrophobicContact CB-CG 4.32Å; F184-R406 HydrophobicContact CD1-CB 4.08Å; F184-R406 HydrophobicContact CD2-CB 4.13Å; F184-R406 HydrophobicContact CG-CB 3.79Å; F184-R406 PolarHBondContact O-NH1 3.31Å; L189-R406 HydrophobicContact CD2-CB 4.46Å; L189-R406 HydrophobicContact CD2-CG 4.25Å; E272-R406 PolarHBondContact O-NH1 2.8Å; L274-R406 HydrophobicContact CD1-CG 4.47Å; M402-R406 WeakPolarHBondContact O-CB 3.35Å; M402-R406 WeakPolarHBondContact O-CG 3.46Å; M402-R406 PolarHBondContact O-N 3.17Å; L403-R406 PolarHBondContact O-N 2.97Å; R406-A408 PolarHBondContact O-N 2.93Å; R406-C409 PolarHBondContact O-N 2.94Å; R406-V410 WeakPolarHBondContact O-CG2 3.46Å; R406-V410 PolarHBondContact O-N 2.73Å; R406-S503 VanDerWaalsContact CG-OG 3.3Å; R406-S503 WeakPolarHBondContact CG-OG 3.37Å; R406-S507 PolarHBondContact NH2-OG 3.25Å
407	W	94	Very high	94.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-48.5	175	170.1	85.4	0	0	0	112	F184 P280 A283 C284 V296 L298 V330 L386 L403 C409 V410 F411 C412	F184-W407 HydrophobicContact CE2-CB 3.79Å; F184-W407 HydrophobicContact CZ-CB 3.69Å; F184-W407 HydrophobicContact CZ-CG 4.36Å; P280-W407 HydrophobicContact CG-CH2 4.17Å; P280-W407 HydrophobicContact CG-CZ2 3.37Å; A283-W407 HydrophobicContact CB-CH2 4.5Å; A283-W407 WeakPolarHBondContact O-CZ2 3.36Å; C284-W407 HydrophobicContact CB-CH2 4.13Å; C284-W407 HydrophobicContact CB-CZ2 3.76Å; V296-W407 HydrophobicContact CG1-CH2 4.1Å; V296-W407 HydrophobicContact CG1-CZ3 4.25Å; L298-W407 HydrophobicContact CD1-CZ3 4.19Å; L298-W407 HydrophobicContact CD2-CE3 3.83Å; L298-W407 HydrophobicContact CD2-CZ3 3.76Å; L298-W407 HydrophobicContact CG-CZ3 4.14Å; V330-W407 HydrophobicContact CB-CH2 4.46Å; V330-W407 HydrophobicContact CG1-CH2 4.48Å; V330-W407 HydrophobicContact CG2-CH2 3.76Å; V330-W407 HydrophobicContact CG2-CZ2 4.32Å; V330-W407 HydrophobicContact CG2-CZ3 4.47Å; L386-W407 HydrophobicContact CD1-CB 4.29Å; L386-W407 HydrophobicContact CD1-CG 3.89Å; L386-W407 HydrophobicContact CD2-CB 3.69Å; L386-W407 HydrophobicContact CD2-CD2 3.82Å; L386-W407 HydrophobicContact CD2-CE3 4.1Å; L386-W407 HydrophobicContact CD2-CG 3.62Å; L386-W407 HydrophobicContact CG-CG 4.41Å; L403-W407 VanDerWaalsContact O-CB 3.26Å; L403-W407 WeakPolarHBondContact O-CB 3.26Å; L403-W407 PolarHBondContact O-N 3.43Å; W407-C409 VanDerWaalsContact C-N 3.33Å; W407-C409 PolarHBondContact O-N 2.81Å; W407-V410 PolarHBondContact O-N 3.18Å; W407-F411 AromaticContact CD1-CD2 3.5Å; W407-F411 VanDerWaalsContact CD1-CD2 3.5Å; W407-F411 HydrophobicContact CG-CD2 4.27Å; W407-F411 AromaticContact NE1-CD2 3.82Å; W407-F411 PolarHBondContact O-N 3.04Å; W407-C412 WeakPolarHBondContact CH2-SG 3.32Å; W407-C412 WeakPolarHBondContact CZ3-SG 3.27Å
408	A	96.2	Very high	95.1	Very high	1 Å²	1	14 Å²	14	1%	0.008	8%	0.075	C	C	.	.	I	π-helix	trans	-61.7	-41.3	177.6	0	0	0	0	0	112.1	S404 F405 R406 C412 K413 L419 V499	S404-A408 WeakPolarHBondContact O-CB 3.26Å; S404-A408 PolarHBondContact O-N 3.47Å; F405-A408 PolarHBondContact O-N 2.85Å; R406-A408 PolarHBondContact O-N 2.93Å; A408-C412 HydrophobicContact CB-CB 4.41Å; A408-C412 CarbonylContact O-C 3.59Å; A408-C412 VanDerWaalsContact O-CA 3.24Å; A408-C412 WeakPolarHBondContact O-CA 3.43Å; A408-C412 WeakPolarHBondContact O-CB 3.36Å; A408-C412 PolarHBondContact O-N 3.12Å; A408-K413 PolarHBondContact O-N 3.03Å; A408-L419 HydrophobicContact CB-CD2 3.4Å; A408-L419 VanDerWaalsContact CB-CD2 3.4Å; A408-V499 HydrophobicContact CB-CG1 3.71Å
409	C	94.4	Very high	95.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.074	C	C	.	.	I	π-helix	trans	-65.3	-45.5	178.5	-178.3	0	0	0	0	112.4	F405 R406 W407 K413 C500	F405-C409 VanDerWaalsContact O-CB 3.32Å; F405-C409 WeakPolarHBondContact O-CB 3.36Å; F405-C409 PolarHBondContact O-N 3.11Å; R406-C409 PolarHBondContact O-N 2.94Å; W407-C409 VanDerWaalsContact C-N 3.33Å; W407-C409 PolarHBondContact O-N 2.81Å; C409-K413 VanDerWaalsContact O-CB 3.28Å; C409-K413 WeakPolarHBondContact O-CB 3.29Å; C409-C500 WeakPolarHBondContact CA-SG 3.23Å; C409-C500 HydrophobicContact CB-CB 4Å; C409-C500 WeakPolarHBondContact CB-SG 3.1Å; C409-C500 WeakPolarHBondContact SG-CA 3.31Å; C409-C500 WeakPolarHBondContact SG-CB 3.39Å; C409-C500 CovalentContact SG-SG 2.05Å; C409-C500 PolarHBondContact SG-SG 3.4Å
410	V	89.2	Confident	95.5	Very high	36 Å²	36	12.9 Å²	12.9	22%	0.218	7%	0.069	C	C	.	.	I	π-helix	trans	-71	-45.1	-176.5	175	0	0	0	0	111.5	F184 L189 P190 R406 W407	F184-V410 HydrophobicContact CD1-CB 4.43Å; F184-V410 HydrophobicContact CD1-CG2 3.82Å; F184-V410 HydrophobicContact CE1-CB 3.76Å; F184-V410 HydrophobicContact CE1-CG1 4.13Å; F184-V410 HydrophobicContact CE1-CG2 3.66Å; L189-V410 HydrophobicContact CD2-CG2 4.15Å; P190-V410 HydrophobicContact CG-CG2 4.49Å; R406-V410 WeakPolarHBondContact O-CG2 3.46Å; R406-V410 PolarHBondContact O-N 2.73Å; W407-V410 PolarHBondContact O-N 3.18Å
411	F	90.9	Very high	95.5	Very high	17 Å²	17	12.9 Å²	12.9	8%	0.075	7%	0.069	C	C	.	.	I	π-helix	trans	-106.4	-30.9	-169.5	-59.4	-57.8	0	0	0	114	L138 F182 F184 C284 P286 W407 I415	L138-F411 HydrophobicContact CD1-CE1 4.48Å; L138-F411 HydrophobicContact CD1-CE2 4.03Å; L138-F411 HydrophobicContact CD1-CZ 3.53Å; F182-F411 HydrophobicContact CE1-CE2 4.43Å; F182-F411 HydrophobicContact CE1-CZ 4.36Å; F182-F411 HydrophobicContact CE2-CZ 4.16Å; F182-F411 HydrophobicContact CZ-CE2 4.28Å; F182-F411 AromaticContact CZ-CZ 3.8Å; F182-F411 HydrophobicContact CZ-CZ 3.8Å; F184-F411 HydrophobicContact CE1-CD2 4.32Å; F184-F411 AromaticContact CE1-CE2 3.77Å; F184-F411 HydrophobicContact CE1-CE2 3.77Å; F184-F411 HydrophobicContact CE1-CZ 4.43Å; F184-F411 HydrophobicContact CZ-CD2 4.05Å; F184-F411 AromaticContact CZ-CE2 3.56Å; F184-F411 HydrophobicContact CZ-CE2 3.56Å; C284-F411 HydrophobicContact CB-CB 4.1Å; C284-F411 WeakPolarHBondContact O-CB 3.24Å; P286-F411 HydrophobicContact CB-CD1 3.84Å; P286-F411 HydrophobicContact CB-CE1 3.65Å; P286-F411 HydrophobicContact CB-CZ 4.3Å; P286-F411 HydrophobicContact CG-CD1 4.42Å; P286-F411 HydrophobicContact CG-CE1 4.19Å; P286-F411 HydrophobicContact CG-CZ 4.39Å; W407-F411 AromaticContact CD1-CD2 3.5Å; W407-F411 VanDerWaalsContact CD1-CD2 3.5Å; W407-F411 HydrophobicContact CG-CD2 4.27Å; W407-F411 AromaticContact NE1-CD2 3.82Å; W407-F411 PolarHBondContact O-N 3.04Å; F411-I415 WeakPolarHBondContact O-CD1 3.39Å
412	C	94.7	Very high	95.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-97.4	-18.7	-174.3	-62.1	0	0	0	0	115.4	C284 W407 A408 N414 I415 T416 L419	C284-C412 HydrophobicContact CB-CB 4.03Å; C284-C412 WeakPolarHBondContact CB-SG 3.28Å; C284-C412 WeakPolarHBondContact SG-CA 3.38Å; C284-C412 WeakPolarHBondContact SG-CB 3.09Å; C284-C412 CovalentContact SG-SG 2.03Å; C284-C412 PolarHBondContact SG-SG 3.23Å; W407-C412 WeakPolarHBondContact CH2-SG 3.32Å; W407-C412 WeakPolarHBondContact CZ3-SG 3.27Å; A408-C412 HydrophobicContact CB-CB 4.41Å; A408-C412 CarbonylContact O-C 3.59Å; A408-C412 VanDerWaalsContact O-CA 3.24Å; A408-C412 WeakPolarHBondContact O-CA 3.43Å; A408-C412 WeakPolarHBondContact O-CB 3.36Å; A408-C412 PolarHBondContact O-N 3.12Å; C412-N414 PolarHBondContact O-N 3.37Å; C412-I415 PolarHBondContact O-N 3.37Å; C412-T416 HydrophobicContact CB-CG2 4Å; C412-T416 PolarHBondContact O-N 2.79Å; C412-L419 HydrophobicContact CB-CD2 4.32Å
413	K	93.5	Very high	95.5	Very high	54 Å²	54	14.6 Å²	14.6	24%	0.235	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-42.6	-172	-174.7	-170.8	-169.8	170.8	0	113.9	A408 C409 D497 C500	A408-K413 PolarHBondContact O-N 3.03Å; C409-K413 VanDerWaalsContact O-CB 3.28Å; C409-K413 WeakPolarHBondContact O-CB 3.29Å; K413-D497 WeakPolarHBondContact CE-OD1 3.48Å; K413-C500 VanDerWaalsContact CD-SG 3.56Å
414	N	92.4	Very high	95.5	Very high	114 Å²	114	15 Å²	15	61%	0.61	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	4	-178.3	-69.5	-28.7	0	0	0	113.5	K292 C412	K292-N414 PolarHBondContact NZ-O 3.37Å; C412-N414 PolarHBondContact O-N 3.37Å
415	I	95.3	Very high	95.1	Very high	8 Å²	8	17 Å²	17	4%	0.041	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-42.2	-175.6	-62.7	-175.8	0	0	0	111.1	C284 K290 Q291 L293 F411 C412	C284-I415 HydrophobicContact CB-CD1 4.05Å; K290-I415 HydrophobicContact CB-CD1 4Å; K290-I415 HydrophobicContact CB-CG1 4.2Å; K290-I415 HydrophobicContact CD-CD1 3.84Å; K290-I415 HydrophobicContact CD-CG1 4.17Å; K290-I415 HydrophobicContact CG-CD1 3.77Å; K290-I415 HydrophobicContact CG-CG1 4.35Å; Q291-I415 VanDerWaalsContact O-CG2 3.25Å; Q291-I415 WeakPolarHBondContact O-CG2 3.33Å; L293-I415 HydrophobicContact CB-CG2 4.37Å; L293-I415 HydrophobicContact CD1-CG2 4.07Å; L293-I415 HydrophobicContact CG-CG2 3.95Å; L293-I415 PolarHBondContact N-O 3.37Å; F411-I415 WeakPolarHBondContact O-CD1 3.39Å; C412-I415 PolarHBondContact O-N 3.37Å
416	T	97.5	Very high	94.8	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.096	C	C	.	.			trans	-128.2	143.6	179.8	-176.6	0	0	0	0	110.7	L293 V296 C412 L418 L419 A496	L293-T416 WeakPolarHBondContact O-CA 3.48Å; V296-T416 HydrophobicContact CB-CG2 4.17Å; V296-T416 HydrophobicContact CG2-CG2 3.71Å; C412-T416 HydrophobicContact CB-CG2 4Å; C412-T416 PolarHBondContact O-N 2.79Å; T416-L418 PolarHBondContact OG1-N 3.2Å; T416-L418 PolarHBondContact OG1-O 2.8Å; T416-L419 HydrophobicContact CG2-CD1 4.27Å; T416-L419 HydrophobicContact CG2-CD2 4.47Å; T416-L419 HydrophobicContact CG2-CG 4.09Å; T416-A496 VanDerWaalsContact O-CB 3.27Å; T416-A496 WeakPolarHBondContact O-CB 3.17Å
417	P	98.1	Very high	94.8	Very high	29 Å²	29	18.6 Å²	18.6	19%	0.188	10%	0.097	C	C	.	.	S	Bend	trans	-82.1	-22.9	173.3	34.4	-35.8	0	0	0	112.8	L293 M445 K446 G495 A496	L293-P417 VanDerWaalsContact O-CD 3.28Å; L293-P417 WeakPolarHBondContact O-CD 3.48Å; P417-M445 HydrophobicContact CB-CB 3.89Å; P417-M445 HydrophobicContact CB-SD 4.39Å; P417-M445 HydrophobicContact CG-CB 4.47Å; P417-M445 HydrophobicContact CG-SD 4.04Å; P417-K446 HydrophobicContact CB-CG 4.05Å; P417-G495 WeakPolarHBondContact O-CA 3.49Å; P417-A496 PolarHBondContact O-N 2.64Å
418	L	98.5	Very high	94.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.4	-173.2	-70.5	166.6	0	0	0	111.3	L295 V296 T416 V437 I440 M445 I493	L295-L418 HydrophobicContact CD1-CB 3.85Å; V296-L418 PolarHBondContact N-O 2.74Å; T416-L418 PolarHBondContact OG1-N 3.2Å; T416-L418 PolarHBondContact OG1-O 2.8Å; L418-V437 HydrophobicContact CD1-CG1 3.98Å; L418-I440 HydrophobicContact CD1-CD1 4.03Å; L418-I440 HydrophobicContact CD2-CD1 4.26Å; L418-M445 HydrophobicContact CD1-CB 4.35Å; L418-M445 HydrophobicContact CD1-CG 4.12Å; L418-M445 HydrophobicContact CD1-SD 4.25Å; L418-M445 HydrophobicContact CD2-CB 4.34Å; L418-M445 WeakPolarHBondContact CD2-O 3.26Å; L418-M445 HydrophobicContact CG-CB 4.13Å; L418-M445 HydrophobicContact CG-CG 4.44Å; L418-I493 HydrophobicContact CB-CD1 4.37Å; L418-I493 HydrophobicContact CD1-CD1 4.26Å; L418-I493 HydrophobicContact CD2-CD1 4.13Å; L418-I493 HydrophobicContact CD2-CG1 4.19Å; L418-I493 HydrophobicContact CG-CD1 4.5Å
419	L	98.7	Very high	94.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.7	170.9	-61.8	106.4	0	0	0	109.6	V296 L298 A408 C412 T416 F421 I493 I494 A496 V499	V296-L419 HydrophobicContact CB-CD2 4.31Å; V296-L419 HydrophobicContact CG1-CD2 4.5Å; V296-L419 CarbonylContact O-C 3.54Å; V296-L419 VanDerWaalsContact O-CA 3.29Å; V296-L419 WeakPolarHBondContact O-CA 3.49Å; L298-L419 HydrophobicContact CD1-CB 4.29Å; L298-L419 HydrophobicContact CD1-CD2 3.62Å; A408-L419 HydrophobicContact CB-CD2 3.4Å; A408-L419 VanDerWaalsContact CB-CD2 3.4Å; C412-L419 HydrophobicContact CB-CD2 4.32Å; T416-L419 HydrophobicContact CG2-CD1 4.27Å; T416-L419 HydrophobicContact CG2-CD2 4.47Å; T416-L419 HydrophobicContact CG2-CG 4.09Å; L419-F421 HydrophobicContact CB-CE2 3.69Å; L419-F421 HydrophobicContact CB-CZ 4.05Å; L419-I493 CarbonylContact O-C 3.11Å; L419-I493 WeakPolarHBondContact O-CA 3.29Å; L419-I493 WeakPolarHBondContact O-CG1 3.11Å; L419-I494 PolarHBondContact N-O 3.47Å; L419-I494 PolarHBondContact O-N 2.96Å; L419-I494 VanDerWaalsContact O-O 3.13Å; L419-A496 HydrophobicContact CD1-CB 4.01Å; L419-V499 HydrophobicContact CB-CG2 4.48Å; L419-V499 HydrophobicContact CD1-CB 4.3Å; L419-V499 HydrophobicContact CD1-CG2 3.86Å
420	L	98.5	Very high	94.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.3	177.5	-179.9	157	0	0	0	108.8	L295 V296 V297 L298 I422 L428 T433 Y492 I493 F536	L295-L420 HydrophobicContact CD1-CB 3.88Å; L295-L420 HydrophobicContact CD2-CB 4.48Å; V296-L420 PolarHBondContact O-N 3.17Å; V297-L420 CarbonylContact C-O 3.6Å; V297-L420 VanDerWaalsContact CA-O 3.25Å; V297-L420 WeakPolarHBondContact CA-O 3.41Å; V297-L420 HydrophobicContact CG1-CD2 3.84Å; V297-L420 HydrophobicContact CG2-CB 4.39Å; V297-L420 HydrophobicContact CG2-CD2 4.3Å; L298-L420 PolarHBondContact N-O 2.89Å; L420-I422 HydrophobicContact CD2-CG1 4.48Å; L420-I422 HydrophobicContact CD2-CG2 3.57Å; L420-L428 HydrophobicContact CD1-CD2 4.26Å; L420-L428 HydrophobicContact CD2-CD1 3.8Å; L420-L428 HydrophobicContact CD2-CD2 3.94Å; L420-L428 HydrophobicContact CD2-CG 4.44Å; L420-T433 HydrophobicContact CD1-CG2 4.11Å; L420-Y492 CarbonylContact C-O 3.6Å; L420-Y492 WeakPolarHBondContact CA-O 3.43Å; L420-I493 HydrophobicContact CB-CB 4.42Å; L420-I493 HydrophobicContact CB-CG1 4.29Å; L420-F536 HydrophobicContact CD1-CZ 4.17Å
421	F	98.5	Very high	94.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.2	-176	-59.6	-101.6	0	0	0	108.9	L298 F405 L419 G491 Y492 I494 V499	L298-F421 HydrophobicContact CB-CD1 3.84Å; L298-F421 HydrophobicContact CB-CE1 4.14Å; L298-F421 HydrophobicContact CD1-CD1 4.36Å; L298-F421 HydrophobicContact CD1-CE1 3.95Å; L298-F421 HydrophobicContact CD1-CZ 4.17Å; L298-F421 HydrophobicContact CD2-CE1 4.05Å; L298-F421 HydrophobicContact CG-CD1 4.47Å; L298-F421 HydrophobicContact CG-CE1 4.28Å; L298-F421 CarbonylContact O-C 3.52Å; L298-F421 WeakPolarHBondContact O-CA 3.49Å; F405-F421 AromaticContact CD2-CE1 3.88Å; F405-F421 HydrophobicContact CD2-CE1 3.88Å; F405-F421 HydrophobicContact CD2-CZ 4.05Å; F405-F421 HydrophobicContact CE2-CD1 4.23Å; F405-F421 AromaticContact CE2-CE1 3.69Å; F405-F421 HydrophobicContact CE2-CE1 3.69Å; F405-F421 HydrophobicContact CE2-CE2 4.36Å; F405-F421 AromaticContact CE2-CZ 3.77Å; F405-F421 HydrophobicContact CE2-CZ 3.77Å; F405-F421 HydrophobicContact CZ-CZ 4.26Å; L419-F421 HydrophobicContact CB-CE2 3.69Å; L419-F421 HydrophobicContact CB-CZ 4.05Å; F421-G491 CarbonylContact O-C 3.53Å; F421-G491 WeakPolarHBondContact O-CA 3.41Å; F421-Y492 HydrophobicContact CB-CD2 3.83Å; F421-Y492 HydrophobicContact CB-CE1 4.35Å; F421-Y492 HydrophobicContact CB-CE2 3.4Å; F421-Y492 VanDerWaalsContact CB-CE2 3.4Å; F421-Y492 HydrophobicContact CB-CG 4.47Å; F421-Y492 HydrophobicContact CD1-CE2 4.18Å; F421-Y492 AromaticContact CD2-CD2 3.65Å; F421-Y492 HydrophobicContact CD2-CD2 3.65Å; F421-Y492 AromaticContact CD2-CE2 3.34Å; F421-Y492 HydrophobicContact CD2-CE2 3.34Å; F421-Y492 HydrophobicContact CE2-CE2 4.12Å; F421-Y492 AromaticContact CG-CD2 4Å; F421-Y492 HydrophobicContact CG-CD2 4Å; F421-Y492 AromaticContact CG-CE2 3.38Å; F421-Y492 HydrophobicContact CG-CE2 3.38Å; F421-Y492 AromaticContact CG-CZ 3.98Å; F421-Y492 PolarHBondContact N-O 2.96Å; F421-Y492 PolarHBondContact O-N 3.36Å; F421-I494 HydrophobicContact CE2-CB 4.41Å; F421-V499 HydrophobicContact CE2-CG2 4.22Å; F421-V499 HydrophobicContact CZ-CG2 4.21Å
422	I	97	Very high	94.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	160.8	177.5	54.3	164.2	0	0	0	111.9	V297 L298 I299 K300 Y316 L420 L428 I551	V297-I422 HydrophobicContact CG1-CD1 4.27Å; V297-I422 HydrophobicContact CG1-CG1 4.16Å; L298-I422 PolarHBondContact O-N 3.5Å; I299-I422 CarbonylContact C-O 3.57Å; I299-I422 WeakPolarHBondContact CA-O 3.49Å; I299-I422 HydrophobicContact CB-CG1 4.38Å; I299-I422 HydrophobicContact CG1-CD1 4.03Å; I299-I422 HydrophobicContact CG1-CG1 3.95Å; I299-I422 HydrophobicContact CG2-CD1 4.49Å; I299-I422 HydrophobicContact CG2-CG1 4.32Å; K300-I422 PolarHBondContact N-O 2.82Å; Y316-I422 HydrophobicContact CE2-CD1 4.2Å; L420-I422 HydrophobicContact CD2-CG1 4.48Å; L420-I422 HydrophobicContact CD2-CG2 3.57Å; I422-L428 HydrophobicContact CD1-CD1 4.24Å; I422-L428 HydrophobicContact CD1-CG 4.02Å; I422-L428 HydrophobicContact CG2-CD2 4.2Å; I422-I551 HydrophobicContact CG2-CD1 3.5Å; I422-I551 HydrophobicContact CG2-CG1 4.15Å
423	D	94.9	Very high	94.7	Very high	35 Å²	35	21.8 Å²	21.8	19%	0.187	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	153.3	167.9	-78.2	-4.7	0	0	0	111.6	K300 D425 Y426	K300-D423 WeakPolarHBondContact CE-OD1 3.31Å; K300-D423 IonicContact NZ-OD1 2.85Å; K300-D423 PolarHBondContact NZ-OD1 2.82Å; K300-D423 IonicContact NZ-OD2 2.84Å; D423-D425 WeakPolarHBondContact CB-OD1 3.4Å; D423-D425 PolarHBondContact O-N 3.01Å; D423-Y426 HydrophobicContact CB-CD2 4.07Å; D423-Y426 PolarHBondContact O-N 3.28Å; D423-Y426 VanDerWaalsContact O-N 3.09Å
424	D	94.4	Very high	94.7	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.043	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-7	-177.6	71.2	1.3	0	0	0	115.5	I299 K300 S301 C302 C305 Q308 K356 Y426	I299-D424 HydrophobicContact CG2-CB 3.96Å; K300-D424 WeakPolarHBondContact O-CB 3.37Å; K300-D424 PolarHBondContact O-N 3.41Å; S301-D424 WeakPolarHBondContact CA-OD2 3.44Å; S301-D424 WeakPolarHBondContact CB-OD2 3.26Å; S301-D424 PolarHBondContact OG-OD2 3.33Å; C302-D424 PolarHBondContact N-OD2 3.22Å; C305-D424 WeakPolarHBondContact CB-OD2 3.17Å; C305-D424 PolarHBondContact SG-OD2 3.11Å; C305-D424 VanDerWaalsContact SG-OD2 3.4Å; Q308-D424 HydrophobicContact CB-CB 4.27Å; K356-D424 IonicContact NZ-OD1 2.87Å; K356-D424 PolarHBondContact NZ-OD1 2.81Å; D424-Y426 VanDerWaalsContact C-N 3.32Å
425	D	90.3	Very high	94.8	Very high	46 Å²	46	20.8 Å²	20.8	25%	0.246	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.9	169	49.5	19.6	0	0	0	113.4	K356 D423 R554	K356-D425 VanDerWaalsContact NZ-CG 3.33Å; K356-D425 IonicContact NZ-OD2 3.17Å; K356-D425 PolarHBondContact NZ-OD2 2.93Å; D423-D425 WeakPolarHBondContact CB-OD1 3.4Å; D423-D425 PolarHBondContact O-N 3.01Å; D425-R554 VanDerWaalsContact O-CB 3.28Å; D425-R554 WeakPolarHBondContact O-CB 3.42Å; D425-R554 PolarHBondContact O-N 3.37Å
426	Y	91.8	Very high	94.8	Very high	31 Å²	31	21.2 Å²	21.2	12%	0.122	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	157.6	169	-69.9	-87.6	0	0	0	111.8	D423 D424 I490 I551 I552 Q553	D423-Y426 HydrophobicContact CB-CD2 4.07Å; D423-Y426 PolarHBondContact O-N 3.28Å; D423-Y426 VanDerWaalsContact O-N 3.09Å; D424-Y426 VanDerWaalsContact C-N 3.32Å; Y426-I490 HydrophobicContact CD2-CB 4.28Å; Y426-I490 HydrophobicContact CE1-CB 4.13Å; Y426-I490 HydrophobicContact CE1-CG2 4.1Å; Y426-I490 HydrophobicContact CE2-CB 3.85Å; Y426-I490 HydrophobicContact CE2-CG2 3.71Å; Y426-I490 VanDerWaalsContact CZ-CG2 3.41Å; Y426-I490 WeakPolarHBondContact OH-CG2 2.92Å; Y426-I551 HydrophobicContact CD1-CG2 3.29Å; Y426-I551 HydrophobicContact CE1-CG2 4.1Å; Y426-I551 HydrophobicContact CG-CG2 3.74Å; Y426-I552 CarbonylContact C-O 3.6Å; Y426-I552 WeakPolarHBondContact CA-O 3.48Å; Y426-Q553 HydrophobicContact CD1-CB 4.32Å; Y426-Q553 HydrophobicContact CE1-CB 4.12Å; Y426-Q553 HydrophobicContact CE1-CG 4.46Å
427	V	92	Very high	94.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154	176.8	-51.8	0	0	0	0	109.8	Y311 Y316 I551 I552 R554 A557 L560 F561	Y311-V427 HydrophobicContact CD1-CG1 4.47Å; Y311-V427 HydrophobicContact CE1-CG1 3.79Å; Y316-V427 HydrophobicContact CD1-CB 3.7Å; Y316-V427 HydrophobicContact CD1-CG1 4.06Å; Y316-V427 HydrophobicContact CE1-CB 3.83Å; Y316-V427 HydrophobicContact CE1-CG1 3.94Å; V427-I551 WeakPolarHBondContact O-CA 3.42Å; V427-I552 HydrophobicContact CG2-CB 3.77Å; V427-I552 HydrophobicContact CG2-CG2 4.38Å; V427-I552 WeakPolarHBondContact CG2-O 3.34Å; V427-I552 PolarHBondContact N-O 3.35Å; V427-I552 PolarHBondContact O-N 3.17Å; V427-R554 HydrophobicContact CG1-CB 4.16Å; V427-R554 HydrophobicContact CG1-CG 4.21Å; V427-A557 HydrophobicContact CB-CB 4.36Å; V427-A557 HydrophobicContact CG1-CB 3.95Å; V427-A557 HydrophobicContact CG2-CB 3.46Å; V427-A557 VanDerWaalsContact CG2-CB 3.46Å; V427-L560 HydrophobicContact CG2-CD1 4.37Å; V427-F561 HydrophobicContact CB-CE2 4.3Å; V427-F561 HydrophobicContact CG2-CE2 4.12Å
428	L	93.3	Very high	94.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.1	171.4	-66.3	172	0	0	0	110.9	V297 Y316 W322 F329 L420 I422 P430 I550 I551	V297-L428 HydrophobicContact CG1-CD1 3.82Å; V297-L428 HydrophobicContact CG2-CD1 3.98Å; Y316-L428 VanDerWaalsContact CB-O 3.23Å; Y316-L428 WeakPolarHBondContact CB-O 3.26Å; Y316-L428 HydrophobicContact CD2-CB 3.97Å; Y316-L428 HydrophobicContact CD2-CD1 4.38Å; Y316-L428 HydrophobicContact CD2-CG 4.37Å; Y316-L428 HydrophobicContact CE2-CB 4.49Å; Y316-L428 HydrophobicContact CE2-CD1 4.39Å; Y316-L428 HydrophobicContact CE2-CG 4.43Å; Y316-L428 HydrophobicContact CG-CB 4.33Å; W322-L428 HydrophobicContact CH2-CB 4.46Å; W322-L428 HydrophobicContact CH2-CD1 4.2Å; F329-L428 HydrophobicContact CE1-CD1 4.4Å; L420-L428 HydrophobicContact CD1-CD2 4.26Å; L420-L428 HydrophobicContact CD2-CD1 3.8Å; L420-L428 HydrophobicContact CD2-CD2 3.94Å; L420-L428 HydrophobicContact CD2-CG 4.44Å; I422-L428 HydrophobicContact CD1-CD1 4.24Å; I422-L428 HydrophobicContact CD1-CG 4.02Å; I422-L428 HydrophobicContact CG2-CD2 4.2Å; L428-P430 VanDerWaalsContact O-CD 3.28Å; L428-P430 WeakPolarHBondContact O-CD 3.48Å; L428-I550 CarbonylContact C-O 3.56Å; L428-I550 WeakPolarHBondContact CA-O 3.48Å; L428-I550 HydrophobicContact CD2-CG2 4.23Å; L428-I551 HydrophobicContact CD2-CG1 3.91Å
429	H	92	Very high	94.5	Very high	18 Å²	18	31.5 Å²	31.5	8%	0.083	15%	0.154	C	C	.	.			trans	-82.8	110.7	163.8	-171	-46	0	0	0	108.9	N431 N432 T433 A549 I550 I552	H429-N431 PolarHBondContact ND1-N 3.36Å; H429-N431 PolarHBondContact O-N 3.03Å; H429-N432 HydrophobicContact CB-CB 4.25Å; H429-N432 PolarHBondContact O-N 2.61Å; H429-T433 WeakPolarHBondContact O-CB 3.34Å; H429-T433 PolarHBondContact O-N 3.46Å; H429-T433 PolarHBondContact O-OG1 2.79Å; H429-A549 WeakPolarHBondContact CB-O 3.31Å; H429-I550 PolarHBondContact N-O 3.45Å; H429-I552 HydrophobicContact CB-CD1 4.18Å
430	P	92.8	Very high	94.3	Very high	11 Å²	11	32 Å²	32	7%	0.071	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-50.9	-170.5	-26.6	37	0	0	0	113	L321 W322 L428 N432 T433 I434 F561	L321-P430 HydrophobicContact CB-CB 3.91Å; L321-P430 HydrophobicContact CB-CG 3.87Å; L321-P430 HydrophobicContact CD1-CG 4.06Å; L321-P430 WeakPolarHBondContact O-CB 3.15Å; W322-P430 HydrophobicContact CD2-CB 4.34Å; W322-P430 HydrophobicContact CZ2-CB 4.2Å; W322-P430 HydrophobicContact CZ2-CG 4.39Å; L428-P430 VanDerWaalsContact O-CD 3.28Å; L428-P430 WeakPolarHBondContact O-CD 3.48Å; P430-N432 PolarHBondContact O-N 3.45Å; P430-T433 WeakPolarHBondContact O-CB 3.36Å; P430-T433 PolarHBondContact O-N 3.02Å; P430-T433 VanDerWaalsContact O-N 3.16Å; P430-I434 WeakPolarHBondContact O-CD1 2.92Å; P430-I434 VanDerWaalsContact O-CG1 3.31Å; P430-I434 WeakPolarHBondContact O-CG1 3.32Å; P430-I434 PolarHBondContact O-N 3.12Å; P430-F561 HydrophobicContact CG-CE1 4.47Å
431	N	91.9	Very high	94.3	Very high	78 Å²	78	38.9 Å²	38.9	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-42.8	-179	-71.3	-26.6	0	0	0	113.7	N323 H429 I434 K435	N323-N431 PolarHBondContact ND2-OD1 2.82Å; H429-N431 PolarHBondContact ND1-N 3.36Å; H429-N431 PolarHBondContact O-N 3.03Å; N431-I434 PolarHBondContact O-N 3.2Å; N431-K435 WeakPolarHBondContact O-CG 3.43Å; N431-K435 PolarHBondContact O-N 3.1Å
432	N	91.8	Very high	94.2	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-71.5	-33.8	178.4	-68.8	-17.5	0	0	0	111.6	H429 P430 K435 L436 A549 I550	H429-N432 HydrophobicContact CB-CB 4.25Å; H429-N432 PolarHBondContact O-N 2.61Å; P430-N432 PolarHBondContact O-N 3.45Å; N432-K435 PolarHBondContact O-N 2.5Å; N432-L436 PolarHBondContact O-N 2.93Å; N432-A549 WeakPolarHBondContact CB-O 3.47Å; N432-A549 PolarHBondContact ND2-O 3.28Å; N432-I550 HydrophobicContact CB-CG1 4.02Å
433	T	94.7	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-43.6	172.6	-49.3	0	0	0	0	111.3	L295 W322 L420 H429 P430 K435 L436 V437 I550	L295-T433 HydrophobicContact CD2-CG2 4.23Å; W322-T433 HydrophobicContact CH2-CG2 3.8Å; W322-T433 HydrophobicContact CZ3-CG2 3.67Å; L420-T433 HydrophobicContact CD1-CG2 4.11Å; H429-T433 WeakPolarHBondContact O-CB 3.34Å; H429-T433 PolarHBondContact O-N 3.46Å; H429-T433 PolarHBondContact O-OG1 2.79Å; P430-T433 WeakPolarHBondContact O-CB 3.36Å; P430-T433 PolarHBondContact O-N 3.02Å; P430-T433 VanDerWaalsContact O-N 3.16Å; T433-K435 VanDerWaalsContact C-N 3.34Å; T433-K435 PolarHBondContact O-N 2.82Å; T433-L436 WeakPolarHBondContact O-CB 3.38Å; T433-L436 PolarHBondContact O-N 3.45Å; T433-V437 WeakPolarHBondContact O-CG2 3.38Å; T433-V437 PolarHBondContact O-N 3.38Å; T433-I550 HydrophobicContact CG2-CG2 4.48Å
434	I	95.4	Very high	94.3	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-45.5	175.2	-67.7	156.1	0	0	0	110.9	W322 N323 L325 P430 N431 L436 V437 R438	W322-I434 HydrophobicContact CE3-CG1 4Å; W322-I434 HydrophobicContact CZ3-CG1 4.48Å; N323-I434 HydrophobicContact CB-CD1 4.05Å; L325-I434 HydrophobicContact CD2-CG1 4.25Å; P430-I434 WeakPolarHBondContact O-CD1 2.92Å; P430-I434 VanDerWaalsContact O-CG1 3.31Å; P430-I434 WeakPolarHBondContact O-CG1 3.32Å; P430-I434 PolarHBondContact O-N 3.12Å; N431-I434 PolarHBondContact O-N 3.2Å; I434-L436 VanDerWaalsContact C-N 3.32Å; I434-L436 PolarHBondContact O-N 2.89Å; I434-V437 PolarHBondContact O-N 3.05Å; I434-R438 HydrophobicContact CG2-CG 4.31Å; I434-R438 VanDerWaalsContact CG2-CZ 3.5Å; I434-R438 WeakPolarHBondContact O-CB 3.36Å; I434-R438 WeakPolarHBondContact O-CG 3.47Å; I434-R438 PolarHBondContact O-N 3.18Å
435	K	94	Very high	94.4	Very high	142 Å²	142	51.7 Å²	51.7	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-58.8	-43.5	177.1	-73.4	173.8	-175.5	172.5	0	111.4	N431 N432 T433 S439	N431-K435 WeakPolarHBondContact O-CG 3.43Å; N431-K435 PolarHBondContact O-N 3.1Å; N432-K435 PolarHBondContact O-N 2.5Å; T433-K435 VanDerWaalsContact C-N 3.34Å; T433-K435 PolarHBondContact O-N 2.82Å; K435-S439 WeakPolarHBondContact O-CB 3.46Å; K435-S439 PolarHBondContact O-N 2.87Å
436	L	94.3	Very high	94.8	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-53.5	174.9	172.4	64.6	0	0	0	111.3	N432 T433 I434 R438 S439 I440 I493 L533 F536 I550	N432-L436 PolarHBondContact O-N 2.93Å; T433-L436 WeakPolarHBondContact O-CB 3.38Å; T433-L436 PolarHBondContact O-N 3.45Å; I434-L436 VanDerWaalsContact C-N 3.32Å; I434-L436 PolarHBondContact O-N 2.89Å; L436-R438 VanDerWaalsContact C-N 3.28Å; L436-R438 PolarHBondContact O-N 3.32Å; L436-S439 WeakPolarHBondContact O-CB 3.47Å; L436-S439 PolarHBondContact O-N 2.94Å; L436-S439 PolarHBondContact O-OG 2.81Å; L436-I440 PolarHBondContact O-N 2.88Å; L436-I493 HydrophobicContact CD2-CG2 4.41Å; L436-L533 HydrophobicContact CD1-CD1 4.36Å; L436-L533 HydrophobicContact CD1-CD2 3.88Å; L436-L533 HydrophobicContact CD2-CD1 3.9Å; L436-F536 HydrophobicContact CD2-CE2 3.81Å; L436-F536 HydrophobicContact CD2-CZ 4.39Å; L436-I550 HydrophobicContact CB-CD1 3.72Å; L436-I550 HydrophobicContact CD2-CD1 3.57Å; L436-I550 HydrophobicContact CG-CD1 4.14Å
437	V	96.3	Very high	95	Very high	5 Å²	5	55 Å²	55	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-42.1	-176.7	171.8	0	0	0	0	110.8	L295 L325 L418 T433 I434 S439 I440 I493	L295-V437 HydrophobicContact CD2-CG2 4.23Å; L325-V437 HydrophobicContact CD1-CG1 3.99Å; L325-V437 HydrophobicContact CD2-CB 4.26Å; L325-V437 HydrophobicContact CD2-CG1 4.19Å; L325-V437 HydrophobicContact CD2-CG2 4.28Å; L418-V437 HydrophobicContact CD1-CG1 3.98Å; T433-V437 WeakPolarHBondContact O-CG2 3.38Å; T433-V437 PolarHBondContact O-N 3.38Å; I434-V437 PolarHBondContact O-N 3.05Å; V437-S439 VanDerWaalsContact C-N 3.28Å; V437-S439 PolarHBondContact O-N 3.04Å; V437-I440 PolarHBondContact O-N 3Å; V437-I493 HydrophobicContact CG2-CD1 4.44Å
438	R	95.8	Very high	95.3	Very high	157 Å²	157	56.8 Å²	56.8	59%	0.592	30%	0.295	S	S	*	.	H	α-helix	trans	-69.8	-20.9	176.8	-70.5	-179.7	176.7	158.8	4.7	114.1	N323 I434 L436 I440	N323-R438 PolarHBondContact O-NH2 3.25Å; I434-R438 HydrophobicContact CG2-CG 4.31Å; I434-R438 VanDerWaalsContact CG2-CZ 3.5Å; I434-R438 WeakPolarHBondContact O-CB 3.36Å; I434-R438 WeakPolarHBondContact O-CG 3.47Å; I434-R438 PolarHBondContact O-N 3.18Å; L436-R438 VanDerWaalsContact C-N 3.28Å; L436-R438 PolarHBondContact O-N 3.32Å; R438-I440 VanDerWaalsContact C-N 3.32Å
439	S	95.2	Very high	95.5	Very high	86 Å²	86	57 Å²	57	60%	0.601	30%	0.295	S	S	*	.	H	α-helix	trans	-78.2	-17.6	176.8	77.2	0	0	0	0	113.5	K435 L436 V437	K435-S439 WeakPolarHBondContact O-CB 3.46Å; K435-S439 PolarHBondContact O-N 2.87Å; L436-S439 WeakPolarHBondContact O-CB 3.47Å; L436-S439 PolarHBondContact O-N 2.94Å; L436-S439 PolarHBondContact O-OG 2.81Å; V437-S439 VanDerWaalsContact C-N 3.28Å; V437-S439 PolarHBondContact O-N 3.04Å
440	I	96.4	Very high	95.7	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.056	29%	0.292	C	S	.	.	S	Bend	trans	-81.1	126.4	178	-57.2	167	0	0	0	108.2	L418 L436 V437 R438 M445 Y448 I493	L418-I440 HydrophobicContact CD1-CD1 4.03Å; L418-I440 HydrophobicContact CD2-CD1 4.26Å; L436-I440 PolarHBondContact O-N 2.88Å; V437-I440 PolarHBondContact O-N 3Å; R438-I440 VanDerWaalsContact C-N 3.32Å; I440-M445 HydrophobicContact CB-CG 4.3Å; I440-M445 HydrophobicContact CG2-CB 4.4Å; I440-M445 HydrophobicContact CG2-CG 3.74Å; I440-M445 WeakPolarHBondContact O-CE 3.37Å; I440-Y448 HydrophobicContact CD1-CD1 3.74Å; I440-Y448 HydrophobicContact CD1-CD2 4.19Å; I440-Y448 HydrophobicContact CD1-CE1 3.82Å; I440-Y448 HydrophobicContact CD1-CE2 4.26Å; I440-Y448 HydrophobicContact CD1-CG 3.93Å; I440-Y448 HydrophobicContact CG1-CD1 4.49Å; I440-Y448 HydrophobicContact CG1-CD2 4.11Å; I440-Y448 HydrophobicContact CG1-CE1 4.39Å; I440-Y448 HydrophobicContact CG1-CE2 3.99Å; I440-Y448 HydrophobicContact CG1-CG 4.35Å; I440-Y448 HydrophobicContact CG2-CD2 3.78Å; I440-Y448 HydrophobicContact CG2-CE2 4.4Å; I440-Y448 HydrophobicContact CG2-CG 4.08Å; I440-I493 HydrophobicContact CD1-CD1 4.31Å
441	K	96.9	Very high	95.8	Very high	146 Å²	146	55.6 Å²	55.6	64%	0.635	29%	0.288	S	S	*	.			trans	-61.5	138.7	175.8	-65.3	180	-178.3	175.9	0	110.1	S443 D444 M445	K441-S443 PolarHBondContact O-N 2.82Å; K441-D444 HydrophobicContact CB-CB 4.36Å; K441-D444 PolarHBondContact O-N 3Å; K441-M445 WeakPolarHBondContact O-CG 3.34Å; K441-M445 PolarHBondContact O-N 3.31Å; K441-M445 VanDerWaalsContact O-N 3.17Å
442	V	96.6	Very high	95.9	Very high	123 Å²	123	52 Å²	52	75%	0.745	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-54.9	-39	-178.9	178	0	0	0	0	112.2	D444 M445	V442-D444 PolarHBondContact O-N 3.07Å; V442-M445 HydrophobicContact CG2-CE 4.49Å
443	S	96.7	Very high	96	Very high	96 Å²	96	52.9 Å²	52.9	67%	0.671	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27.1	176.6	56.1	0	0	0	0	113.9	K441	K441-S443 PolarHBondContact O-N 2.82Å
444	D	96.9	Very high	95.8	Very high	68 Å²	68	54.9 Å²	54.9	36%	0.364	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-104.2	-10.6	-169.8	-53.8	-12.3	0	0	0	111.3	K441 V442 K446 S447 Y448	K441-D444 HydrophobicContact CB-CB 4.36Å; K441-D444 PolarHBondContact O-N 3Å; V442-D444 PolarHBondContact O-N 3.07Å; D444-K446 VanDerWaalsContact C-N 3.35Å; D444-K446 PolarHBondContact O-N 2.93Å; D444-S447 CarbonylContact O-C 3.52Å; D444-S447 PolarHBondContact O-N 2.7Å; D444-S447 VanDerWaalsContact O-N 3.1Å; D444-S447 PolarHBondContact O-OG 3.07Å; D444-S447 VanDerWaalsContact O-OG 3.12Å; D444-Y448 WeakPolarHBondContact O-CB 3.25Å; D444-Y448 PolarHBondContact O-N 3.39Å
445	M	97.7	Very high	95.4	Very high	29 Å²	29	58.6 Å²	58.6	14%	0.143	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.6	-45.2	-172.7	-73.7	-175.2	169.4	0	0	112.8	P417 L418 I440 K441 V442 S447 Y448 G495	P417-M445 HydrophobicContact CB-CB 3.89Å; P417-M445 HydrophobicContact CB-SD 4.39Å; P417-M445 HydrophobicContact CG-CB 4.47Å; P417-M445 HydrophobicContact CG-SD 4.04Å; L418-M445 HydrophobicContact CD1-CB 4.35Å; L418-M445 HydrophobicContact CD1-CG 4.12Å; L418-M445 HydrophobicContact CD1-SD 4.25Å; L418-M445 HydrophobicContact CD2-CB 4.34Å; L418-M445 WeakPolarHBondContact CD2-O 3.26Å; L418-M445 HydrophobicContact CG-CB 4.13Å; L418-M445 HydrophobicContact CG-CG 4.44Å; I440-M445 HydrophobicContact CB-CG 4.3Å; I440-M445 HydrophobicContact CG2-CB 4.4Å; I440-M445 HydrophobicContact CG2-CG 3.74Å; I440-M445 WeakPolarHBondContact O-CE 3.37Å; K441-M445 WeakPolarHBondContact O-CG 3.34Å; K441-M445 PolarHBondContact O-N 3.31Å; K441-M445 VanDerWaalsContact O-N 3.17Å; V442-M445 HydrophobicContact CG2-CE 4.49Å; M445-S447 VanDerWaalsContact C-N 3.28Å; M445-S447 PolarHBondContact O-N 3.44Å; M445-Y448 WeakPolarHBondContact O-CB 3.38Å; M445-Y448 PolarHBondContact O-N 2.82Å; M445-G495 WeakPolarHBondContact O-CA 3.35Å
446	K	97.6	Very high	94.7	Very high	80 Å²	80	57.1 Å²	57.1	35%	0.348	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-71.7	-20.8	-178.2	-69.5	-172.1	167.3	-165.2	0	114.1	P417 D444 G495 A496 D497 V498	P417-K446 HydrophobicContact CB-CG 4.05Å; D444-K446 VanDerWaalsContact C-N 3.35Å; D444-K446 PolarHBondContact O-N 2.93Å; K446-G495 CarbonylContact O-C 3.52Å; K446-G495 VanDerWaalsContact O-CA 3.24Å; K446-G495 WeakPolarHBondContact O-CA 3.46Å; K446-A496 PolarHBondContact O-N 2.77Å; K446-D497 HydrophobicContact CB-CB 4.29Å; K446-D497 VanDerWaalsContact CB-OD2 3.3Å; K446-D497 WeakPolarHBondContact CB-OD2 3.21Å; K446-D497 WeakPolarHBondContact CD-OD2 3.27Å; K446-D497 WeakPolarHBondContact O-CB 3.28Å; K446-D497 PolarHBondContact O-N 2.6Å; K446-D497 VanDerWaalsContact O-N 3.07Å; K446-V498 PolarHBondContact O-N 2.85Å
447	S	96.7	Very high	94.1	Very high	66 Å²	66	56.4 Å²	56.4	46%	0.462	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-103.4	-1.3	178.1	59.8	0	0	0	0	113.3	D444 M445	D444-S447 CarbonylContact O-C 3.52Å; D444-S447 PolarHBondContact O-N 2.7Å; D444-S447 VanDerWaalsContact O-N 3.1Å; D444-S447 PolarHBondContact O-OG 3.07Å; D444-S447 VanDerWaalsContact O-OG 3.12Å; M445-S447 VanDerWaalsContact C-N 3.28Å; M445-S447 PolarHBondContact O-N 3.44Å
448	Y	97.7	Very high	93.8	Very high	39 Å²	39	60.9 Å²	60.9	15%	0.153	34%	0.336	C	S	.	.			trans	-68	143.3	-175.3	-168.2	-95.8	0	0	0	112.5	I440 D444 M445 I493 I494 G495 L533	I440-Y448 HydrophobicContact CD1-CD1 3.74Å; I440-Y448 HydrophobicContact CD1-CD2 4.19Å; I440-Y448 HydrophobicContact CD1-CE1 3.82Å; I440-Y448 HydrophobicContact CD1-CE2 4.26Å; I440-Y448 HydrophobicContact CD1-CG 3.93Å; I440-Y448 HydrophobicContact CG1-CD1 4.49Å; I440-Y448 HydrophobicContact CG1-CD2 4.11Å; I440-Y448 HydrophobicContact CG1-CE1 4.39Å; I440-Y448 HydrophobicContact CG1-CE2 3.99Å; I440-Y448 HydrophobicContact CG1-CG 4.35Å; I440-Y448 HydrophobicContact CG2-CD2 3.78Å; I440-Y448 HydrophobicContact CG2-CE2 4.4Å; I440-Y448 HydrophobicContact CG2-CG 4.08Å; D444-Y448 WeakPolarHBondContact O-CB 3.25Å; D444-Y448 PolarHBondContact O-N 3.39Å; M445-Y448 WeakPolarHBondContact O-CB 3.38Å; M445-Y448 PolarHBondContact O-N 2.82Å; Y448-I493 HydrophobicContact CD1-CG2 3.98Å; Y448-I493 HydrophobicContact CE1-CG2 3.66Å; Y448-I494 CarbonylContact O-C 3.44Å; Y448-I494 WeakPolarHBondContact O-CA 3.08Å; Y448-G495 PolarHBondContact O-N 3.12Å; Y448-L533 WeakPolarHBondContact OH-CD2 3.48Å
449	I	97.6	Very high	93.6	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	116	177.2	-54.8	165.6	0	0	0	108.2	F487 I494 V498 L523 K528 L530 N531	I449-F487 HydrophobicContact CG2-CE2 3.57Å; I449-F487 HydrophobicContact CG2-CZ 3.66Å; I449-I494 HydrophobicContact CG1-CG2 4.49Å; I449-V498 HydrophobicContact CD1-CB 4.29Å; I449-V498 HydrophobicContact CD1-CG1 3.59Å; I449-V498 HydrophobicContact CD1-CG2 3.84Å; I449-V498 HydrophobicContact CG1-CB 4.2Å; I449-V498 HydrophobicContact CG1-CG1 3.8Å; I449-V498 HydrophobicContact CG1-CG2 3.86Å; I449-L523 HydrophobicContact CD1-CD2 4.42Å; I449-L523 HydrophobicContact CG2-CD1 4.2Å; I449-K528 HydrophobicContact CD1-CB 3.41Å; I449-K528 VanDerWaalsContact CD1-CB 3.41Å; I449-K528 HydrophobicContact CD1-CD 3.78Å; I449-K528 HydrophobicContact CD1-CG 3.55Å; I449-L530 HydrophobicContact CG2-CD2 3.71Å; I449-N531 VanDerWaalsContact O-CB 3.26Å; I449-N531 WeakPolarHBondContact O-CB 3.29Å; I449-N531 PolarHBondContact O-N 2.71Å; I449-N531 VanDerWaalsContact O-N 3.1Å; I449-N531 PolarHBondContact O-ND2 2.78Å
450	G	96.5	Very high	93.4	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.5	-177.3	0	0	0	0	0	114.2	F487 Y492 I493 N531 L533	G450-F487 VanDerWaalsContact C-CZ 3.43Å; G450-Y492 CarbonylContact O-C 3.5Å; G450-Y492 WeakPolarHBondContact O-CA 3.22Å; G450-I493 PolarHBondContact N-O 3.3Å; G450-I493 PolarHBondContact O-N 3.14Å; G450-N531 VanDerWaalsContact CA-O 3.25Å; G450-N531 WeakPolarHBondContact CA-O 3.33Å; G450-L533 VanDerWaalsContact C-CD1 3.48Å
451	G	95.6	Very high	93	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-174.7	-178.6	0	0	0	0	0	111.9	I453 F487 N531 Q532 L533	G451-I453 PolarHBondContact O-N 3.42Å; G451-F487 VanDerWaalsContact C-CD1 3.47Å; G451-F487 VanDerWaalsContact CA-CD1 3.45Å; G451-F487 VanDerWaalsContact CA-CE1 3.47Å; G451-N531 PolarHBondContact N-O 3.07Å; G451-Q532 WeakPolarHBondContact O-CA 3.14Å; G451-L533 PolarHBondContact O-N 3.06Å
452	P	93	Very high	92.4	Very high	3 Å²	3	49 Å²	49	2%	0.019	29%	0.285	C	S	.	.			trans	-79.7	111.3	175.5	32.9	-31.3	0	0	0	109.7	F487 Y488 I490 G491 F536	P452-F487 CarbonylContact O-C 3.56Å; P452-F487 WeakPolarHBondContact O-CA 3.44Å; P452-Y488 HydrophobicContact CB-CD2 3.95Å; P452-Y488 HydrophobicContact CG-CD2 4.3Å; P452-Y488 VanDerWaalsContact O-CD2 3.31Å; P452-Y488 WeakPolarHBondContact O-CD2 3.29Å; P452-Y488 PolarHBondContact O-N 2.9Å; P452-I490 HydrophobicContact CG-CD1 3.89Å; P452-I490 HydrophobicContact CG-CG1 3.81Å; P452-G491 WeakPolarHBondContact CD-O 3.31Å; P452-F536 HydrophobicContact CB-CB 4.01Å; P452-F536 WeakPolarHBondContact CB-O 3.48Å; P452-F536 HydrophobicContact CG-CB 3.84Å
453	I	93.7	Very high	91.7	Very high	34 Å²	34	49.1 Å²	49.1	17%	0.174	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.7	-172.5	-56.9	170.5	0	0	0	111	G451 P485 Y486 F487 L530 Q532	G451-I453 PolarHBondContact O-N 3.42Å; I453-P485 HydrophobicContact CG2-CB 4.1Å; I453-Y486 CarbonylContact C-O 3.53Å; I453-Y486 WeakPolarHBondContact CA-O 3.15Å; I453-F487 HydrophobicContact CD1-CE1 4.44Å; I453-F487 HydrophobicContact CG1-CD1 3.91Å; I453-F487 HydrophobicContact CG1-CE1 3.69Å; I453-L530 HydrophobicContact CD1-CB 3.61Å; I453-L530 HydrophobicContact CG1-CB 4.09Å; I453-Q532 HydrophobicContact CD1-CB 4.02Å
454	H	91.1	Very high	90.8	Very high	42 Å²	42	52.2 Å²	52.2	19%	0.194	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	103.8	160.1	-165.7	-58.9	0	0	0	108.6	T456 S457 P485 Y486 Y488	H454-T456 PolarHBondContact CE1-O 3.31Å; H454-S457 PolarHBondContact ND1-OG 3.42Å; H454-S457 PolarHBondContact O-OG 3.22Å; H454-S457 VanDerWaalsContact O-OG 3.14Å; H454-P485 WeakPolarHBondContact O-CA 3.39Å; H454-Y486 HydrophobicContact CB-CD2 4.18Å; H454-Y486 HydrophobicContact CB-CE1 4.21Å; H454-Y486 HydrophobicContact CB-CE2 3.81Å; H454-Y486 HydrophobicContact CB-CG 4.48Å; H454-Y486 AromaticContact CG-CZ 3.83Å; H454-Y486 PolarHBondContact N-O 3.49Å; H454-Y486 PolarHBondContact O-N 3.43Å; H454-Y488 HydrophobicContact CB-CD2 4.43Å; H454-Y488 HydrophobicContact CB-CE1 4.34Å; H454-Y488 HydrophobicContact CB-CE2 4.01Å; H454-Y488 AromaticContact CD2-CE1 3.49Å; H454-Y488 VanDerWaalsContact CD2-CE1 3.49Å; H454-Y488 WeakPolarHBondContact CD2-CE1 3.35Å; H454-Y488 AromaticContact CD2-CZ 3.51Å; H454-Y488 PolarHBondContact CD2-OH 2.88Å
455	S	86.6	Confident	89.6	Confident	84 Å²	84	57.8 Å²	57.8	59%	0.587	31%	0.308	S	S	*	.			trans	-87.5	-36.1	-171.1	54.6	0	0	0	0	114.2
456	T	80.3	Confident	88.4	Confident	110 Å²	110	59.5 Å²	59.5	68%	0.675	32%	0.32	S	S	*	.	S	Bend	trans	-110.1	75	-177.6	52.5	0	0	0	0	110.8	H454 V458	H454-T456 PolarHBondContact CE1-O 3.31Å; T456-V458 PolarHBondContact O-N 3.13Å
457	S	82.1	Confident	87.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.014	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	75.7	-167.6	-57.2	0	0	0	0	113.1	H454 V459 Y482 Y483 Y486	H454-S457 PolarHBondContact ND1-OG 3.42Å; H454-S457 PolarHBondContact O-OG 3.22Å; H454-S457 VanDerWaalsContact O-OG 3.14Å; S457-V459 PolarHBondContact O-N 3.31Å; S457-Y482 CarbonylContact O-C 3.51Å; S457-Y482 VanDerWaalsContact O-CA 3.32Å; S457-Y482 WeakPolarHBondContact O-CA 3.46Å; S457-Y483 PolarHBondContact O-N 3.26Å; S457-Y486 VanDerWaalsContact CB-CE1 3.48Å; S457-Y486 WeakPolarHBondContact OG-CD1 3.11Å; S457-Y486 WeakPolarHBondContact OG-CE1 3.44Å
458	V	89.9	Confident	86.9	Confident	98 Å²	98	58.8 Å²	58.8	59%	0.594	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.4	170.4	-177.9	0	0	0	0	108.9	T456 S460 Y482	T456-V458 PolarHBondContact O-N 3.13Å; V458-S460 PolarHBondContact O-N 3.37Å; V458-Y482 HydrophobicContact CB-CE1 4.41Å; V458-Y482 HydrophobicContact CG2-CD1 4.03Å; V458-Y482 HydrophobicContact CG2-CE1 3.51Å
459	V	90.2	Very high	86.4	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.03	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.4	121.4	175.5	-179.1	0	0	0	0	108.9	S457 R461 V473 Y478 Y480 S481 Y483	S457-V459 PolarHBondContact O-N 3.31Å; V459-R461 PolarHBondContact O-N 2.85Å; V459-V473 HydrophobicContact CG1-CB 4Å; V459-V473 HydrophobicContact CG1-CG1 4.45Å; V459-Y478 HydrophobicContact CG2-CD1 3.79Å; V459-Y478 HydrophobicContact CG2-CE1 3.69Å; V459-Y480 WeakPolarHBondContact CG2-O 3.25Å; V459-S481 WeakPolarHBondContact CG2-O 3.47Å; V459-S481 PolarHBondContact N-O 2.87Å; V459-Y483 HydrophobicContact CB-CE2 4.15Å; V459-Y483 HydrophobicContact CG1-CE1 4.49Å; V459-Y483 HydrophobicContact CG1-CE2 4.15Å; V459-Y483 HydrophobicContact CG2-CD1 3.95Å; V459-Y483 HydrophobicContact CG2-CD2 3.81Å; V459-Y483 HydrophobicContact CG2-CE1 3.78Å; V459-Y483 HydrophobicContact CG2-CE2 3.68Å; V459-Y483 HydrophobicContact CG2-CG 3.96Å
460	S	91.2	Very high	86.1	Confident	52 Å²	52	62 Å²	62	36%	0.364	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-64.9	127.7	171	-160	0	0	0	0	109	V458 D472 V473	V458-S460 PolarHBondContact O-N 3.37Å; S460-D472 VanDerWaalsContact CB-OD1 3.29Å; S460-D472 WeakPolarHBondContact CB-OD1 3.38Å; S460-D472 WeakPolarHBondContact O-CA 3.48Å; S460-D472 PolarHBondContact OG-OD1 3.48Å; S460-V473 PolarHBondContact O-N 2.78Å
461	R	88.2	Confident	85.9	Confident	63 Å²	63	68.6 Å²	68.6	24%	0.238	36%	0.357	C	S	.	.			trans	-115.2	141.1	-175.2	-64.4	-55	-171.7	171.4	5.9	110.5	V459 Q463 V473 S474 Y478 Y480	V459-R461 PolarHBondContact O-N 2.85Å; R461-Q463 PolarHBondContact O-N 3.41Å; R461-V473 WeakPolarHBondContact CD-O 3.36Å; R461-V473 PolarHBondContact NH1-O 3.44Å; R461-S474 PolarHBondContact NH1-O 2.8Å; R461-Y478 VanDerWaalsContact CZ-O 3.28Å; R461-Y478 PolarHBondContact NH1-O 3.46Å; R461-Y478 PolarHBondContact NH2-O 3.12Å; R461-Y480 PolarHBondContact NH2-O 3.48Å
462	P	84.2	Confident	85.6	Confident	30 Å²	30	68.9 Å²	68.9	20%	0.195	36%	0.358	C	S	.	.			trans	-54.2	134.8	168.4	-22.7	32.1	0	0	0	110.9	T466 Y467 D472 V473	P462-T466 CarbonylContact C-O 3.59Å; P462-T466 VanDerWaalsContact CA-O 3.28Å; P462-T466 WeakPolarHBondContact CA-O 2.91Å; P462-T466 WeakPolarHBondContact CB-O 3.27Å; P462-Y467 HydrophobicContact CB-CD2 4.13Å; P462-Y467 HydrophobicContact CB-CE2 4.23Å; P462-Y467 HydrophobicContact CB-CG 4.39Å; P462-Y467 HydrophobicContact CG-CD1 3.98Å; P462-Y467 HydrophobicContact CG-CD2 3.92Å; P462-Y467 HydrophobicContact CG-CE1 3.68Å; P462-Y467 HydrophobicContact CG-CE2 3.68Å; P462-Y467 HydrophobicContact CG-CG 4.08Å; P462-D472 HydrophobicContact CG-CB 4.12Å; P462-V473 WeakPolarHBondContact CD-O 3.41Å
463	Q	81.8	Confident	85.5	Confident	127 Å²	127	68.7 Å²	68.7	59%	0.593	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-101.7	135.4	175.9	-65.1	-177.3	-5.7	0	0	108.9	R461 K465 T466	R461-Q463 PolarHBondContact O-N 3.41Å; Q463-K465 PolarHBondContact O-N 2.75Å; Q463-T466 PolarHBondContact N-O 2.75Å; Q463-T466 PolarHBondContact O-N 2.81Å; Q463-T466 PolarHBondContact O-OG1 2.04Å
464	N	78.6	Confident	85.1	Confident	160 Å²	160	67.4 Å²	67.4	86%	0.856	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	32.2	179.7	-61.2	-28.4	0	0	0	114.9	T466	N464-T466 PolarHBondContact O-N 2.95Å
465	K	70.5	Confident	84.7	Confident	185 Å²	185	69.1 Å²	69.1	80%	0.804	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	21.7	-172.6	-50.6	179.3	178.1	-177.8	0	114.1	V349 Q463	V349-K465 WeakPolarHBondContact CG2-O 3.3Å; Q463-K465 PolarHBondContact O-N 2.75Å
466	T	73.6	Confident	84.4	Confident	65 Å²	65	72.8 Å²	72.8	40%	0.399	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-110.7	133.3	169.6	66.6	0	0	0	0	109.8	P462 Q463 N464 N468	P462-T466 CarbonylContact C-O 3.59Å; P462-T466 VanDerWaalsContact CA-O 3.28Å; P462-T466 WeakPolarHBondContact CA-O 2.91Å; P462-T466 WeakPolarHBondContact CB-O 3.27Å; Q463-T466 PolarHBondContact N-O 2.75Å; Q463-T466 PolarHBondContact O-N 2.81Å; Q463-T466 PolarHBondContact O-OG1 2.04Å; N464-T466 PolarHBondContact O-N 2.95Å; T466-N468 PolarHBondContact O-N 3.4Å; T466-N468 PolarHBondContact OG1-OD1 3.17Å
467	Y	79.6	Confident	84.6	Confident	23 Å²	23	69 Å²	69	9%	0.09	35%	0.348	C	S	.	.			trans	-83.2	106.8	169.9	-79.1	-106.9	0	0	0	107.2	D347 V349 I351 P462 D472 S474	D347-Y467 PolarHBondContact OD2-OH 3.37Å; V349-Y467 HydrophobicContact CB-CD2 3.75Å; V349-Y467 HydrophobicContact CB-CE2 4.17Å; V349-Y467 HydrophobicContact CG1-CD2 3.84Å; V349-Y467 HydrophobicContact CG2-CD2 4.08Å; V349-Y467 HydrophobicContact CG2-CE2 4.26Å; I351-Y467 HydrophobicContact CD1-CD1 3.39Å; I351-Y467 HydrophobicContact CD1-CE1 4.08Å; I351-Y467 HydrophobicContact CD1-CG 3.68Å; I351-Y467 HydrophobicContact CG1-CD1 4.22Å; I351-Y467 HydrophobicContact CG1-CG 3.98Å; P462-Y467 HydrophobicContact CB-CD2 4.13Å; P462-Y467 HydrophobicContact CB-CE2 4.23Å; P462-Y467 HydrophobicContact CB-CG 4.39Å; P462-Y467 HydrophobicContact CG-CD1 3.98Å; P462-Y467 HydrophobicContact CG-CD2 3.92Å; P462-Y467 HydrophobicContact CG-CE1 3.68Å; P462-Y467 HydrophobicContact CG-CE2 3.68Å; P462-Y467 HydrophobicContact CG-CG 4.08Å; Y467-D472 HydrophobicContact CD1-CB 3.44Å; Y467-D472 VanDerWaalsContact CD1-CB 3.44Å; Y467-D472 HydrophobicContact CE1-CB 3.97Å; Y467-D472 WeakPolarHBondContact CE1-O 3.34Å; Y467-D472 HydrophobicContact CG-CB 4.22Å; Y467-S474 WeakPolarHBondContact OH-CB 3.48Å
468	N	82.8	Confident	84.8	Confident	108 Å²	108	68.9 Å²	68.9	58%	0.578	35%	0.347	S	S	*	.			trans	-93.5	-17.4	-179	-64.5	-22.3	0	0	0	111.5	T466 D472	T466-N468 PolarHBondContact O-N 3.4Å; T466-N468 PolarHBondContact OG1-OD1 3.17Å; N468-D472 PolarHBondContact N-OD2 3.19Å
469	S	88.1	Confident	84.5	Confident	30 Å²	30	65 Å²	65	21%	0.21	32%	0.324	C	S	.	.	S	Bend	trans	-124.3	143.4	174.9	178.8	0	0	0	0	110.3	W471 D472	S469-W471 PolarHBondContact O-N 3.09Å; S469-W471 VanDerWaalsContact O-N 3.08Å; S469-W471 PolarHBondContact OG-N 3.27Å; S469-W471 VanDerWaalsContact OG-N 3.11Å; S469-D472 PolarHBondContact N-OD2 2.61Å; S469-D472 WeakPolarHBondContact O-CB 3.31Å; S469-D472 PolarHBondContact O-N 2.98Å
470	K	90.1	Very high	84.3	Confident	80 Å²	80	65.7 Å²	65.7	35%	0.348	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.9	168.3	68.8	-178.3	-175.7	178	0	113.2	L353 Y394	L353-K470 HydrophobicContact CD2-CB 3.6Å; L353-K470 HydrophobicContact CD2-CD 4.15Å; Y394-K470 HydrophobicContact CE1-CB 4.31Å; Y394-K470 HydrophobicContact CE1-CD 3.85Å; Y394-K470 HydrophobicContact CE1-CG 4.1Å
471	W	91.8	Very high	84.1	Confident	140 Å²	140	65.8 Å²	65.8	53%	0.53	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.8	177.1	-52	-46.6	0	0	0	113.5	Y394 S469	Y394-W471 PolarHBondContact OH-NE1 2.98Å; S469-W471 PolarHBondContact O-N 3.09Å; S469-W471 VanDerWaalsContact O-N 3.08Å; S469-W471 PolarHBondContact OG-N 3.27Å; S469-W471 VanDerWaalsContact OG-N 3.11Å
472	D	91.1	Very high	84.2	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.027	34%	0.337	C	S	.	.			trans	-65.7	136.9	173.4	-73.4	-21	0	0	0	109.9	S460 P462 Y467 N468 S469	S460-D472 VanDerWaalsContact CB-OD1 3.29Å; S460-D472 WeakPolarHBondContact CB-OD1 3.38Å; S460-D472 WeakPolarHBondContact O-CA 3.48Å; S460-D472 PolarHBondContact OG-OD1 3.48Å; P462-D472 HydrophobicContact CG-CB 4.12Å; Y467-D472 HydrophobicContact CD1-CB 3.44Å; Y467-D472 VanDerWaalsContact CD1-CB 3.44Å; Y467-D472 HydrophobicContact CE1-CB 3.97Å; Y467-D472 WeakPolarHBondContact CE1-O 3.34Å; Y467-D472 HydrophobicContact CG-CB 4.22Å; N468-D472 PolarHBondContact N-OD2 3.19Å; S469-D472 PolarHBondContact N-OD2 2.61Å; S469-D472 WeakPolarHBondContact O-CB 3.31Å; S469-D472 PolarHBondContact O-N 2.98Å
473	V	89.1	Confident	84.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.331	C	S	.	.			trans	-131.9	128.7	-179	171.9	0	0	0	0	108.7	V459 S460 R461 P462 E477 Y483 L512 I514	V459-V473 HydrophobicContact CG1-CB 4Å; V459-V473 HydrophobicContact CG1-CG1 4.45Å; S460-V473 PolarHBondContact O-N 2.78Å; R461-V473 WeakPolarHBondContact CD-O 3.36Å; R461-V473 PolarHBondContact NH1-O 3.44Å; P462-V473 WeakPolarHBondContact CD-O 3.41Å; V473-E477 HydrophobicContact CG1-CB 3.95Å; V473-E477 HydrophobicContact CG1-CG 4Å; V473-Y483 VanDerWaalsContact CG2-OH 3.23Å; V473-Y483 WeakPolarHBondContact CG2-OH 3.25Å; V473-L512 HydrophobicContact CG1-CD1 3.91Å; V473-L512 HydrophobicContact CG2-CD1 4.3Å; V473-I514 HydrophobicContact CG2-CD1 4.47Å; V473-I514 HydrophobicContact CG2-CG1 3.71Å
474	S	85.2	Confident	85.1	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.042	31%	0.308	C	S	.	.			trans	-74.4	158.3	179.6	69.2	0	0	0	0	112.2	D347 R461 Y467 H476 E477 Y478	D347-S474 WeakPolarHBondContact OD2-CB 3.3Å; D347-S474 PolarHBondContact OD2-OG 2.75Å; R461-S474 PolarHBondContact NH1-O 2.8Å; Y467-S474 WeakPolarHBondContact OH-CB 3.48Å; S474-H476 PolarHBondContact O-N 3.4Å; S474-H476 PolarHBondContact OG-N 3.16Å; S474-E477 PolarHBondContact O-N 2.6Å; S474-E477 PolarHBondContact OG-N 2.73Å; S474-E477 VanDerWaalsContact OG-N 3.15Å; S474-Y478 PolarHBondContact O-N 3.37Å
475	P	83.5	Confident	85.7	Confident	79 Å²	79	57.9 Å²	57.9	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.4	170.5	-24.9	35.8	0	0	0	113.9	Y478 P479	P475-Y478 WeakPolarHBondContact CA-O 3.41Å; P475-Y478 CarbonylContact O-C 3.48Å; P475-P479 VanDerWaalsContact O-CA 3.32Å; P475-P479 WeakPolarHBondContact O-CA 3.36Å
476	H	81.2	Confident	86.9	Confident	161 Å²	161	50.4 Å²	50.4	75%	0.745	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-42.4	174.6	-68	-60.9	0	0	0	111.6	S474	S474-H476 PolarHBondContact O-N 3.4Å; S474-H476 PolarHBondContact OG-N 3.16Å
477	E	83.3	Confident	87.9	Confident	29 Å²	29	47.5 Å²	47.5	14%	0.136	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-56.1	174.1	-176.4	176.8	-170.9	0	0	110.4	Y245 V473 S474 L512 R513	Y245-E477 WeakPolarHBondContact CE2-O 3.35Å; Y245-E477 VanDerWaalsContact CZ-O 3.3Å; Y245-E477 PolarHBondContact OH-O 2.84Å; V473-E477 HydrophobicContact CG1-CB 3.95Å; V473-E477 HydrophobicContact CG1-CG 4Å; S474-E477 PolarHBondContact O-N 2.6Å; S474-E477 PolarHBondContact OG-N 2.73Å; S474-E477 VanDerWaalsContact OG-N 3.15Å; E477-L512 HydrophobicContact CG-CD1 3.78Å; E477-R513 VanDerWaalsContact CD-NE 3.29Å; E477-R513 WeakPolarHBondContact OE1-CB 3.37Å; E477-R513 VanDerWaalsContact OE1-CG 3.27Å; E477-R513 WeakPolarHBondContact OE1-CG 3.34Å; E477-R513 IonicContact OE1-CZ 3.47Å; E477-R513 PolarHBondContact OE1-N 2.94Å; E477-R513 VanDerWaalsContact OE1-N 3.12Å; E477-R513 IonicContact OE1-NE 2.72Å; E477-R513 PolarHBondContact OE1-NE 3.48Å; E477-R513 IonicContact OE1-NH2 3.16Å; E477-R513 IonicContact OE2-CZ 3.69Å; E477-R513 VanDerWaalsContact OE2-CZ 3.22Å; E477-R513 IonicContact OE2-NE 3.36Å; E477-R513 PolarHBondContact OE2-NE 2.92Å; E477-R513 VanDerWaalsContact OE2-NE 3.08Å; E477-R513 IonicContact OE2-NH2 2.93Å; E477-R513 PolarHBondContact OE2-NH2 3.14Å
478	Y	86.4	Confident	88.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.			trans	-131.9	114.4	178.1	-176.6	-102.1	0	0	0	110.6	Y245 V459 R461 S474 P475 Y480 Y482 Y483 I521	Y245-Y478 HydrophobicContact CD1-CD2 4.48Å; Y245-Y478 AromaticContact CD2-CD2 3.73Å; Y245-Y478 HydrophobicContact CD2-CD2 3.73Å; Y245-Y478 HydrophobicContact CD2-CE2 4.07Å; Y245-Y478 HydrophobicContact CE1-CD2 4.35Å; Y245-Y478 AromaticContact CE2-CD2 3.64Å; Y245-Y478 HydrophobicContact CE2-CD2 3.64Å; Y245-Y478 HydrophobicContact CE2-CE2 4.43Å; Y245-Y478 HydrophobicContact CE2-CG 4.45Å; Y245-Y478 HydrophobicContact CG-CD2 4.18Å; Y245-Y478 HydrophobicContact CG-CE2 4.23Å; Y245-Y478 AromaticContact CZ-CD2 3.98Å; V459-Y478 HydrophobicContact CG2-CD1 3.79Å; V459-Y478 HydrophobicContact CG2-CE1 3.69Å; R461-Y478 VanDerWaalsContact CZ-O 3.28Å; R461-Y478 PolarHBondContact NH1-O 3.46Å; R461-Y478 PolarHBondContact NH2-O 3.12Å; S474-Y478 PolarHBondContact O-N 3.37Å; P475-Y478 WeakPolarHBondContact CA-O 3.41Å; P475-Y478 CarbonylContact O-C 3.48Å; Y478-Y480 VanDerWaalsContact CD1-O 3.25Å; Y478-Y480 WeakPolarHBondContact CD1-O 3.49Å; Y478-Y480 HydrophobicContact CD2-CD2 4.38Å; Y478-Y480 HydrophobicContact CE1-CD2 4.15Å; Y478-Y480 HydrophobicContact CE1-CG 4.36Å; Y478-Y480 VanDerWaalsContact CE1-O 3.24Å; Y478-Y480 WeakPolarHBondContact CE1-O 3.23Å; Y478-Y480 AromaticContact CE2-CD2 3.75Å; Y478-Y480 HydrophobicContact CE2-CD2 3.75Å; Y478-Y480 AromaticContact CZ-CD2 3.63Å; Y478-Y480 PolarHBondContact O-N 3.2Å; Y478-Y482 WeakPolarHBondContact CE1-O 3.28Å; Y478-Y482 PolarHBondContact OH-O 3.5Å; Y478-Y483 HydrophobicContact CD1-CD1 4.09Å; Y478-Y483 AromaticContact CD1-CE1 3.7Å; Y478-Y483 HydrophobicContact CD1-CE1 3.7Å; Y478-Y483 HydrophobicContact CD2-CE1 4.42Å; Y478-Y483 AromaticContact CE1-CD1 3.63Å; Y478-Y483 HydrophobicContact CE1-CD1 3.63Å; Y478-Y483 AromaticContact CE1-CE1 3.75Å; Y478-Y483 HydrophobicContact CE1-CE1 3.75Å; Y478-Y483 HydrophobicContact CE2-CD1 4.33Å; Y478-Y483 HydrophobicContact CE2-CE1 4.49Å; Y478-Y483 HydrophobicContact CG-CE1 4.04Å; Y478-Y483 AromaticContact CZ-CD1 3.77Å; Y478-I521 HydrophobicContact CD2-CD1 4.03Å; Y478-I521 HydrophobicContact CE2-CD1 3.54Å; Y478-I521 HydrophobicContact CE2-CG1 4.32Å
479	P	83	Confident	88.9	Confident	17 Å²	17	46 Å²	46	11%	0.11	23%	0.227	C	C	.	.			trans	-76.7	-19.7	-169.2	29.3	-36.2	0	0	0	114.3	F218 P475	F218-P479 HydrophobicContact CD1-CG 4.15Å; F218-P479 HydrophobicContact CE1-CG 3.58Å; F218-P479 HydrophobicContact CZ-CG 3.82Å; P475-P479 VanDerWaalsContact O-CA 3.32Å; P475-P479 WeakPolarHBondContact O-CA 3.36Å
480	Y	86.9	Confident	89.1	Confident	19 Å²	19	45 Å²	45	8%	0.075	22%	0.22	C	C	.	.	S	Bend	trans	-88.8	148.4	-171.7	-50.3	-72.6	0	0	0	113.1	G241 H244 Y245 Y248 V459 R461 Y478 Y482	G241-Y480 VanDerWaalsContact CA-CD1 3.46Å; G241-Y480 VanDerWaalsContact CA-CE1 3.48Å; G241-Y480 VanDerWaalsContact O-CD2 3.27Å; G241-Y480 WeakPolarHBondContact O-CD2 3.34Å; G241-Y480 WeakPolarHBondContact O-CE2 3.4Å; H244-Y480 PolarHBondContact O-OH 3.47Å; Y245-Y480 HydrophobicContact CD2-CE2 4.44Å; Y248-Y480 PolarHBondContact OH-OH 3.43Å; V459-Y480 WeakPolarHBondContact CG2-O 3.25Å; R461-Y480 PolarHBondContact NH2-O 3.48Å; Y478-Y480 VanDerWaalsContact CD1-O 3.25Å; Y478-Y480 WeakPolarHBondContact CD1-O 3.49Å; Y478-Y480 HydrophobicContact CD2-CD2 4.38Å; Y478-Y480 HydrophobicContact CE1-CD2 4.15Å; Y478-Y480 HydrophobicContact CE1-CG 4.36Å; Y478-Y480 VanDerWaalsContact CE1-O 3.24Å; Y478-Y480 WeakPolarHBondContact CE1-O 3.23Å; Y478-Y480 AromaticContact CE2-CD2 3.75Å; Y478-Y480 HydrophobicContact CE2-CD2 3.75Å; Y478-Y480 AromaticContact CZ-CD2 3.63Å; Y478-Y480 PolarHBondContact O-N 3.2Å; Y480-Y482 VanDerWaalsContact C-N 3.29Å; Y480-Y482 PolarHBondContact O-N 2.81Å
481	S	87.8	Confident	89.3	Confident	54 Å²	54	41.3 Å²	41.3	38%	0.378	20%	0.204	S	C	.	.	S	Bend	trans	-74.9	-16.2	-178.8	-53	0	0	0	0	114.6	V459	V459-S481 WeakPolarHBondContact CG2-O 3.47Å; V459-S481 PolarHBondContact N-O 2.87Å
482	Y	90.5	Very high	89.5	Confident	115 Å²	115	34.8 Å²	34.8	45%	0.451	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.9	-178.1	-63.4	-92.4	0	0	0	110.6	K238 S457 V458 Y478 Y480	K238-Y482 WeakPolarHBondContact O-CD2 3.27Å; S457-Y482 CarbonylContact O-C 3.51Å; S457-Y482 VanDerWaalsContact O-CA 3.32Å; S457-Y482 WeakPolarHBondContact O-CA 3.46Å; V458-Y482 HydrophobicContact CB-CE1 4.41Å; V458-Y482 HydrophobicContact CG2-CD1 4.03Å; V458-Y482 HydrophobicContact CG2-CE1 3.51Å; Y478-Y482 WeakPolarHBondContact CE1-O 3.28Å; Y478-Y482 PolarHBondContact OH-O 3.5Å; Y480-Y482 VanDerWaalsContact C-N 3.29Å; Y480-Y482 PolarHBondContact O-N 2.81Å
483	Y	91	Very high	89.9	Confident	18 Å²	18	34.6 Å²	34.6	7%	0.071	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	152.8	162	-59	-60.9	0	0	0	109.7	S457 V459 V473 Y478 Y486 L512 A517	S457-Y483 PolarHBondContact O-N 3.26Å; V459-Y483 HydrophobicContact CB-CE2 4.15Å; V459-Y483 HydrophobicContact CG1-CE1 4.49Å; V459-Y483 HydrophobicContact CG1-CE2 4.15Å; V459-Y483 HydrophobicContact CG2-CD1 3.95Å; V459-Y483 HydrophobicContact CG2-CD2 3.81Å; V459-Y483 HydrophobicContact CG2-CE1 3.78Å; V459-Y483 HydrophobicContact CG2-CE2 3.68Å; V459-Y483 HydrophobicContact CG2-CG 3.96Å; V473-Y483 VanDerWaalsContact CG2-OH 3.23Å; V473-Y483 WeakPolarHBondContact CG2-OH 3.25Å; Y478-Y483 HydrophobicContact CD1-CD1 4.09Å; Y478-Y483 AromaticContact CD1-CE1 3.7Å; Y478-Y483 HydrophobicContact CD1-CE1 3.7Å; Y478-Y483 HydrophobicContact CD2-CE1 4.42Å; Y478-Y483 AromaticContact CE1-CD1 3.63Å; Y478-Y483 HydrophobicContact CE1-CD1 3.63Å; Y478-Y483 AromaticContact CE1-CE1 3.75Å; Y478-Y483 HydrophobicContact CE1-CE1 3.75Å; Y478-Y483 HydrophobicContact CE2-CD1 4.33Å; Y478-Y483 HydrophobicContact CE2-CE1 4.49Å; Y478-Y483 HydrophobicContact CG-CE1 4.04Å; Y478-Y483 AromaticContact CZ-CD1 3.77Å; Y483-Y486 HydrophobicContact CD2-CE1 4.13Å; Y483-L512 HydrophobicContact CD1-CD2 4.41Å; Y483-L512 HydrophobicContact CE1-CD2 3.67Å; Y483-A517 HydrophobicContact CD1-CB 3.9Å; Y483-A517 HydrophobicContact CD2-CB 3.94Å; Y483-A517 HydrophobicContact CE1-CB 3.95Å; Y483-A517 HydrophobicContact CE2-CB 3.96Å; Y483-A517 HydrophobicContact CG-CB 3.9Å
484	P	92.1	Very high	90.3	Very high	15 Å²	15	34.6 Å²	34.6	10%	0.097	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-63.1	164.2	162.9	28.9	-30.4	0	0	0	110	Y486 I521 A524	P484-Y486 WeakPolarHBondContact O-CD1 3.13Å; P484-Y486 PolarHBondContact O-N 2.88Å; P484-I521 HydrophobicContact CG-CB 4.42Å; P484-I521 HydrophobicContact CG-CG1 3.88Å; P484-A524 HydrophobicContact CB-CB 3.72Å; P484-A524 HydrophobicContact CG-CB 3.93Å
485	P	92.6	Very high	91	Very high	67 Å²	67	34.3 Å²	34.3	44%	0.435	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-54	135.7	173.9	-26	35.5	0	0	0	111.2	I453 H454 L530	I453-P485 HydrophobicContact CG2-CB 4.1Å; H454-P485 WeakPolarHBondContact O-CA 3.39Å; P485-L530 HydrophobicContact CB-CD1 4.17Å; P485-L530 WeakPolarHBondContact O-CD1 3.41Å
486	Y	95.2	Very high	91.7	Very high	27 Å²	27	30.6 Å²	30.6	11%	0.106	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	169.9	-179.7	65.8	-100.7	0	0	0	110.9	I453 H454 S457 Y483 P484 D516 A517	I453-Y486 CarbonylContact C-O 3.53Å; I453-Y486 WeakPolarHBondContact CA-O 3.15Å; H454-Y486 HydrophobicContact CB-CD2 4.18Å; H454-Y486 HydrophobicContact CB-CE1 4.21Å; H454-Y486 HydrophobicContact CB-CE2 3.81Å; H454-Y486 HydrophobicContact CB-CG 4.48Å; H454-Y486 AromaticContact CG-CZ 3.83Å; H454-Y486 PolarHBondContact N-O 3.49Å; H454-Y486 PolarHBondContact O-N 3.43Å; S457-Y486 VanDerWaalsContact CB-CE1 3.48Å; S457-Y486 WeakPolarHBondContact OG-CD1 3.11Å; S457-Y486 WeakPolarHBondContact OG-CE1 3.44Å; Y483-Y486 HydrophobicContact CD2-CE1 4.13Å; P484-Y486 WeakPolarHBondContact O-CD1 3.13Å; P484-Y486 PolarHBondContact O-N 2.88Å; Y486-D516 WeakPolarHBondContact CB-O 3.43Å; Y486-D516 HydrophobicContact CD2-CB 3.89Å; Y486-D516 HydrophobicContact CE2-CB 4.17Å; Y486-A517 HydrophobicContact CD1-CB 4.37Å; Y486-A517 HydrophobicContact CE1-CB 4.34Å
487	F	95.3	Very high	92.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.1	174.7	-62.6	-54	0	0	0	111.2	I449 G450 G451 P452 I453 G489 Y492 D516 L523 L530	I449-F487 HydrophobicContact CG2-CE2 3.57Å; I449-F487 HydrophobicContact CG2-CZ 3.66Å; G450-F487 VanDerWaalsContact C-CZ 3.43Å; G451-F487 VanDerWaalsContact C-CD1 3.47Å; G451-F487 VanDerWaalsContact CA-CD1 3.45Å; G451-F487 VanDerWaalsContact CA-CE1 3.47Å; P452-F487 CarbonylContact O-C 3.56Å; P452-F487 WeakPolarHBondContact O-CA 3.44Å; I453-F487 HydrophobicContact CD1-CE1 4.44Å; I453-F487 HydrophobicContact CG1-CD1 3.91Å; I453-F487 HydrophobicContact CG1-CE1 3.69Å; F487-G489 PolarHBondContact O-N 2.79Å; F487-Y492 HydrophobicContact CB-CD1 3.98Å; F487-Y492 HydrophobicContact CB-CG 4.38Å; F487-Y492 HydrophobicContact CD2-CD1 4.25Å; F487-Y492 AromaticContact CD2-CG 3.91Å; F487-Y492 HydrophobicContact CD2-CG 3.91Å; F487-Y492 HydrophobicContact CG-CG 4.45Å; F487-D516 VanDerWaalsContact O-CB 3.28Å; F487-D516 WeakPolarHBondContact O-CB 3.38Å; F487-L523 HydrophobicContact CE2-CD1 4.26Å; F487-L530 HydrophobicContact CE1-CB 4.01Å; F487-L530 HydrophobicContact CE1-CD1 4.29Å; F487-L530 HydrophobicContact CE2-CD2 4.05Å; F487-L530 HydrophobicContact CZ-CB 3.98Å; F487-L530 HydrophobicContact CZ-CD1 4.35Å; F487-L530 HydrophobicContact CZ-CD2 3.85Å; F487-L530 HydrophobicContact CZ-CG 4.27Å
488	Y	92.6	Very high	93.1	Very high	84 Å²	84	24.1 Å²	24.1	33%	0.329	12%	0.124	S	C	.	.			trans	-52.3	141.2	171.5	-69.4	-87.4	0	0	0	111	P452 H454 I490 G491 V538	P452-Y488 HydrophobicContact CB-CD2 3.95Å; P452-Y488 HydrophobicContact CG-CD2 4.3Å; P452-Y488 VanDerWaalsContact O-CD2 3.31Å; P452-Y488 WeakPolarHBondContact O-CD2 3.29Å; P452-Y488 PolarHBondContact O-N 2.9Å; H454-Y488 HydrophobicContact CB-CD2 4.43Å; H454-Y488 HydrophobicContact CB-CE1 4.34Å; H454-Y488 HydrophobicContact CB-CE2 4.01Å; H454-Y488 AromaticContact CD2-CE1 3.49Å; H454-Y488 VanDerWaalsContact CD2-CE1 3.49Å; H454-Y488 WeakPolarHBondContact CD2-CE1 3.35Å; H454-Y488 AromaticContact CD2-CZ 3.51Å; H454-Y488 PolarHBondContact CD2-OH 2.88Å; Y488-I490 PolarHBondContact O-N 2.62Å; Y488-G491 PolarHBondContact O-N 3.08Å; Y488-V538 HydrophobicContact CD1-CG2 4.21Å; Y488-V538 HydrophobicContact CD2-CG2 3.82Å; Y488-V538 HydrophobicContact CE1-CG2 4.5Å; Y488-V538 HydrophobicContact CE2-CG2 4.17Å; Y488-V538 HydrophobicContact CG-CG2 3.85Å
489	G	89.9	Confident	93.6	Very high	15 Å²	15	24.1 Å²	24.1	16%	0.155	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-3.5	-178.2	0	0	0	0	0	117.3	F487 G491 D516	F487-G489 PolarHBondContact O-N 2.79Å; G489-G491 VanDerWaalsContact C-N 3.32Å; G489-G491 PolarHBondContact O-N 2.87Å; G489-D516 PolarHBondContact N-OD2 2.88Å
490	I	91.8	Very high	94.2	Very high	11 Å²	11	23.5 Å²	23.5	6%	0.056	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.5	178.1	73.5	175.3	0	0	0	113.2	Y426 P452 Y488 R537 V538	Y426-I490 HydrophobicContact CD2-CB 4.28Å; Y426-I490 HydrophobicContact CE1-CB 4.13Å; Y426-I490 HydrophobicContact CE1-CG2 4.1Å; Y426-I490 HydrophobicContact CE2-CB 3.85Å; Y426-I490 HydrophobicContact CE2-CG2 3.71Å; Y426-I490 VanDerWaalsContact CZ-CG2 3.41Å; Y426-I490 WeakPolarHBondContact OH-CG2 2.92Å; P452-I490 HydrophobicContact CG-CD1 3.89Å; P452-I490 HydrophobicContact CG-CG1 3.81Å; Y488-I490 PolarHBondContact O-N 2.62Å; I490-R537 WeakPolarHBondContact CD1-O 3.35Å; I490-V538 HydrophobicContact CD1-CG2 4.05Å
491	G	94.6	Very high	94.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150	164.7	175.3	0	0	0	0	0	115.7	F421 P452 Y488 G489 F536	F421-G491 CarbonylContact O-C 3.53Å; F421-G491 WeakPolarHBondContact O-CA 3.41Å; P452-G491 WeakPolarHBondContact CD-O 3.31Å; Y488-G491 PolarHBondContact O-N 3.08Å; G489-G491 VanDerWaalsContact C-N 3.32Å; G489-G491 PolarHBondContact O-N 2.87Å; G491-F536 VanDerWaalsContact O-CD1 3.31Å; G491-F536 WeakPolarHBondContact O-CD1 3.37Å
492	Y	97.5	Very high	95	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.4	-176	44.7	-96.5	0	0	0	110.8	M401 F405 L420 F421 G450 F487 I494 L519	M401-Y492 PolarHBondContact SD-OH 2.78Å; F405-Y492 HydrophobicContact CE2-CE2 4.34Å; F405-Y492 HydrophobicContact CZ-CE2 4.23Å; L420-Y492 CarbonylContact C-O 3.6Å; L420-Y492 WeakPolarHBondContact CA-O 3.43Å; F421-Y492 HydrophobicContact CB-CD2 3.83Å; F421-Y492 HydrophobicContact CB-CE1 4.35Å; F421-Y492 HydrophobicContact CB-CE2 3.4Å; F421-Y492 VanDerWaalsContact CB-CE2 3.4Å; F421-Y492 HydrophobicContact CB-CG 4.47Å; F421-Y492 HydrophobicContact CD1-CE2 4.18Å; F421-Y492 AromaticContact CD2-CD2 3.65Å; F421-Y492 HydrophobicContact CD2-CD2 3.65Å; F421-Y492 AromaticContact CD2-CE2 3.34Å; F421-Y492 HydrophobicContact CD2-CE2 3.34Å; F421-Y492 HydrophobicContact CE2-CE2 4.12Å; F421-Y492 AromaticContact CG-CD2 4Å; F421-Y492 HydrophobicContact CG-CD2 4Å; F421-Y492 AromaticContact CG-CE2 3.38Å; F421-Y492 HydrophobicContact CG-CE2 3.38Å; F421-Y492 AromaticContact CG-CZ 3.98Å; F421-Y492 PolarHBondContact N-O 2.96Å; F421-Y492 PolarHBondContact O-N 3.36Å; G450-Y492 CarbonylContact O-C 3.5Å; G450-Y492 WeakPolarHBondContact O-CA 3.22Å; F487-Y492 HydrophobicContact CB-CD1 3.98Å; F487-Y492 HydrophobicContact CB-CG 4.38Å; F487-Y492 HydrophobicContact CD2-CD1 4.25Å; F487-Y492 AromaticContact CD2-CG 3.91Å; F487-Y492 HydrophobicContact CD2-CG 3.91Å; F487-Y492 HydrophobicContact CG-CG 4.45Å; Y492-I494 HydrophobicContact CD2-CD1 3.54Å; Y492-I494 HydrophobicContact CD2-CG1 3.86Å; Y492-I494 HydrophobicContact CE2-CD1 3.71Å; Y492-I494 HydrophobicContact CE2-CG1 4.44Å; Y492-L519 HydrophobicContact CD1-CD2 4.26Å; Y492-L519 HydrophobicContact CD2-CD2 4.19Å; Y492-L519 HydrophobicContact CE1-CD2 3.74Å; Y492-L519 HydrophobicContact CE2-CD2 3.63Å; Y492-L519 HydrophobicContact CG-CD2 4.48Å
493	I	98.1	Very high	95.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.2	175.2	-172.8	172.9	0	0	0	109.8	L295 L418 L419 L420 L436 V437 I440 Y448 G450 L533	L295-I493 HydrophobicContact CD1-CD1 4.34Å; L418-I493 HydrophobicContact CB-CD1 4.37Å; L418-I493 HydrophobicContact CD1-CD1 4.26Å; L418-I493 HydrophobicContact CD2-CD1 4.13Å; L418-I493 HydrophobicContact CD2-CG1 4.19Å; L418-I493 HydrophobicContact CG-CD1 4.5Å; L419-I493 CarbonylContact O-C 3.11Å; L419-I493 WeakPolarHBondContact O-CA 3.29Å; L419-I493 WeakPolarHBondContact O-CG1 3.11Å; L420-I493 HydrophobicContact CB-CB 4.42Å; L420-I493 HydrophobicContact CB-CG1 4.29Å; L436-I493 HydrophobicContact CD2-CG2 4.41Å; V437-I493 HydrophobicContact CG2-CD1 4.44Å; I440-I493 HydrophobicContact CD1-CD1 4.31Å; Y448-I493 HydrophobicContact CD1-CG2 3.98Å; Y448-I493 HydrophobicContact CE1-CG2 3.66Å; G450-I493 PolarHBondContact N-O 3.3Å; G450-I493 PolarHBondContact O-N 3.14Å; I493-L533 HydrophobicContact CG2-CD1 3.66Å
494	I	98.5	Very high	95.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.4	-175.3	-57.5	177	0	0	0	108.9	F405 L419 F421 Y448 I449 Y492 V498 V499 L519	F405-I494 HydrophobicContact CE1-CD1 4.19Å; F405-I494 HydrophobicContact CZ-CD1 3.79Å; L419-I494 PolarHBondContact N-O 3.47Å; L419-I494 PolarHBondContact O-N 2.96Å; L419-I494 VanDerWaalsContact O-O 3.13Å; F421-I494 HydrophobicContact CE2-CB 4.41Å; Y448-I494 CarbonylContact O-C 3.44Å; Y448-I494 WeakPolarHBondContact O-CA 3.08Å; I449-I494 HydrophobicContact CG1-CG2 4.49Å; Y492-I494 HydrophobicContact CD2-CD1 3.54Å; Y492-I494 HydrophobicContact CD2-CG1 3.86Å; Y492-I494 HydrophobicContact CE2-CD1 3.71Å; Y492-I494 HydrophobicContact CE2-CG1 4.44Å; I494-V498 HydrophobicContact CG2-CB 3.6Å; I494-V498 HydrophobicContact CG2-CG1 3.61Å; I494-V499 HydrophobicContact CB-CG2 3.89Å; I494-V499 HydrophobicContact CG2-CG2 3.56Å; I494-L519 HydrophobicContact CD1-CD2 4.24Å
495	G	98.6	Very high	95.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	148.7	174.5	0	0	0	0	0	112.4	P417 M445 K446 Y448 D497 V498 V499	P417-G495 WeakPolarHBondContact O-CA 3.49Å; M445-G495 WeakPolarHBondContact O-CA 3.35Å; K446-G495 CarbonylContact O-C 3.52Å; K446-G495 VanDerWaalsContact O-CA 3.24Å; K446-G495 WeakPolarHBondContact O-CA 3.46Å; Y448-G495 PolarHBondContact O-N 3.12Å; G495-D497 VanDerWaalsContact C-N 3.28Å; G495-D497 PolarHBondContact O-N 2.93Å; G495-V498 PolarHBondContact O-N 3.15Å; G495-V498 VanDerWaalsContact O-N 3.08Å; G495-V499 PolarHBondContact O-N 3.25Å
496	A	98.1	Very high	95	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.017	6%	0.057	C	C	.	.	H	α-helix	trans	-59.3	-33	-172	0	0	0	0	0	114.6	T416 P417 L419 K446 C500	T416-A496 VanDerWaalsContact O-CB 3.27Å; T416-A496 WeakPolarHBondContact O-CB 3.17Å; P417-A496 PolarHBondContact O-N 2.64Å; L419-A496 HydrophobicContact CD1-CB 4.01Å; K446-A496 PolarHBondContact O-N 2.77Å; A496-C500 PolarHBondContact O-N 2.85Å
497	D	96.6	Very high	94.6	Very high	52 Å²	52	10 Å²	10	28%	0.278	5%	0.052	S	C	.	.	H	α-helix	trans	-71.5	-39.8	177.6	-67.5	-25.2	0	0	0	110.5	K413 K446 G495 V499 C500 D501	K413-D497 WeakPolarHBondContact CE-OD1 3.48Å; K446-D497 HydrophobicContact CB-CB 4.29Å; K446-D497 VanDerWaalsContact CB-OD2 3.3Å; K446-D497 WeakPolarHBondContact CB-OD2 3.21Å; K446-D497 WeakPolarHBondContact CD-OD2 3.27Å; K446-D497 WeakPolarHBondContact O-CB 3.28Å; K446-D497 PolarHBondContact O-N 2.6Å; K446-D497 VanDerWaalsContact O-N 3.07Å; G495-D497 VanDerWaalsContact C-N 3.28Å; G495-D497 PolarHBondContact O-N 2.93Å; D497-V499 PolarHBondContact O-N 3.42Å; D497-C500 WeakPolarHBondContact O-CB 3.5Å; D497-C500 PolarHBondContact O-N 3.4Å; D497-D501 PolarHBondContact O-N 2.87Å
498	V	97.8	Very high	94.2	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-66	-38.5	175.7	-179.8	0	0	0	0	111.6	K446 I449 I494 G495 C500 D501 A502 L523	K446-V498 PolarHBondContact O-N 2.85Å; I449-V498 HydrophobicContact CD1-CB 4.29Å; I449-V498 HydrophobicContact CD1-CG1 3.59Å; I449-V498 HydrophobicContact CD1-CG2 3.84Å; I449-V498 HydrophobicContact CG1-CB 4.2Å; I449-V498 HydrophobicContact CG1-CG1 3.8Å; I449-V498 HydrophobicContact CG1-CG2 3.86Å; I494-V498 HydrophobicContact CG2-CB 3.6Å; I494-V498 HydrophobicContact CG2-CG1 3.61Å; G495-V498 PolarHBondContact O-N 3.15Å; G495-V498 VanDerWaalsContact O-N 3.08Å; V498-C500 PolarHBondContact O-N 2.75Å; V498-D501 PolarHBondContact O-N 2.83Å; V498-A502 WeakPolarHBondContact O-CB 3.42Å; V498-A502 PolarHBondContact O-N 2.7Å; V498-L523 HydrophobicContact CG1-CD2 3.9Å
499	V	98.2	Very high	93.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.6	-40.4	174.6	171.2	0	0	0	0	110.7	F405 A408 L419 F421 I494 G495 D497 S503	F405-V499 HydrophobicContact CB-CG1 4.24Å; F405-V499 HydrophobicContact CD1-CB 4.42Å; F405-V499 HydrophobicContact CD1-CG1 3.92Å; F405-V499 HydrophobicContact CE1-CG2 4.45Å; F405-V499 HydrophobicContact CG-CG1 4.13Å; A408-V499 HydrophobicContact CB-CG1 3.71Å; L419-V499 HydrophobicContact CB-CG2 4.48Å; L419-V499 HydrophobicContact CD1-CB 4.3Å; L419-V499 HydrophobicContact CD1-CG2 3.86Å; F421-V499 HydrophobicContact CE2-CG2 4.22Å; F421-V499 HydrophobicContact CZ-CG2 4.21Å; I494-V499 HydrophobicContact CB-CG2 3.89Å; I494-V499 HydrophobicContact CG2-CG2 3.56Å; G495-V499 PolarHBondContact O-N 3.25Å; D497-V499 PolarHBondContact O-N 3.42Å; V499-S503 VanDerWaalsContact O-CB 3.26Å; V499-S503 WeakPolarHBondContact O-CB 3.39Å; V499-S503 PolarHBondContact O-N 3.26Å
500	C	95.4	Very high	93.7	Very high	4 Å²	4	8.3 Å²	8.3	3%	0.027	4%	0.043	C	C	.	.	H	α-helix	trans	-67	-48.5	174.2	-85.6	0	0	0	0	113.6	C409 K413 A496 D497 V498 A502 S503 V504	C409-C500 WeakPolarHBondContact CA-SG 3.23Å; C409-C500 HydrophobicContact CB-CB 4Å; C409-C500 WeakPolarHBondContact CB-SG 3.1Å; C409-C500 WeakPolarHBondContact SG-CA 3.31Å; C409-C500 WeakPolarHBondContact SG-CB 3.39Å; C409-C500 CovalentContact SG-SG 2.05Å; C409-C500 PolarHBondContact SG-SG 3.4Å; K413-C500 VanDerWaalsContact CD-SG 3.56Å; A496-C500 PolarHBondContact O-N 2.85Å; D497-C500 WeakPolarHBondContact O-CB 3.5Å; D497-C500 PolarHBondContact O-N 3.4Å; V498-C500 PolarHBondContact O-N 2.75Å; C500-A502 VanDerWaalsContact C-N 3.25Å; C500-A502 PolarHBondContact O-N 2.96Å; C500-S503 WeakPolarHBondContact O-CB 3.3Å; C500-S503 PolarHBondContact O-N 2.67Å; C500-S503 VanDerWaalsContact O-N 3.16Å; C500-V504 WeakPolarHBondContact O-CG2 3.48Å; C500-V504 PolarHBondContact O-N 3.01Å
501	D	94.7	Very high	93.4	Very high	33 Å²	33	9 Å²	9	18%	0.176	5%	0.047	C	C	.	.	H	α-helix	trans	-55.5	-45.2	176.7	-66.9	-11.5	0	0	0	110.6	L255 D497 V498 V504 T505 L526 K528	L255-D501 HydrophobicContact CD1-CB 3.71Å; D497-D501 PolarHBondContact O-N 2.87Å; V498-D501 PolarHBondContact O-N 2.83Å; D501-V504 PolarHBondContact O-N 3.33Å; D501-T505 WeakPolarHBondContact O-CB 3.48Å; D501-T505 PolarHBondContact O-N 2.92Å; D501-T505 PolarHBondContact O-OG1 3.27Å; D501-L526 HydrophobicContact CB-CD1 3.77Å; D501-L526 HydrophobicContact CB-CD2 3.93Å; D501-K528 IonicContact OD2-NZ 3.82Å; D501-K528 PolarHBondContact OD2-NZ 3.08Å
502	A	95.6	Very high	93.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.7	-42.6	178	0	0	0	0	0	111.6	F405 V498 C500 V504 T505 M506 V522 L526	F405-A502 HydrophobicContact CD1-CB 3.76Å; F405-A502 HydrophobicContact CE1-CB 3.73Å; V498-A502 WeakPolarHBondContact O-CB 3.42Å; V498-A502 PolarHBondContact O-N 2.7Å; C500-A502 VanDerWaalsContact C-N 3.25Å; C500-A502 PolarHBondContact O-N 2.96Å; A502-V504 VanDerWaalsContact C-N 3.31Å; A502-V504 PolarHBondContact O-N 2.91Å; A502-T505 WeakPolarHBondContact O-CB 3.39Å; A502-T505 PolarHBondContact O-N 3.1Å; A502-T505 VanDerWaalsContact O-N 3.15Å; A502-M506 VanDerWaalsContact O-CG 3.23Å; A502-M506 WeakPolarHBondContact O-CG 3.47Å; A502-M506 PolarHBondContact O-N 3.38Å; A502-V522 HydrophobicContact CB-CG1 3.71Å; A502-L526 HydrophobicContact CB-CD1 4.17Å
503	S	93.9	Very high	92.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.1	-40.6	175.7	176.3	0	0	0	0	112.8	L189 R406 V499 C500	L189-S503 VanDerWaalsContact CD2-OG 3.26Å; L189-S503 WeakPolarHBondContact CD2-OG 2.98Å; R406-S503 VanDerWaalsContact CG-OG 3.3Å; R406-S503 WeakPolarHBondContact CG-OG 3.37Å; V499-S503 VanDerWaalsContact O-CB 3.26Å; V499-S503 WeakPolarHBondContact O-CB 3.39Å; V499-S503 PolarHBondContact O-N 3.26Å; C500-S503 WeakPolarHBondContact O-CB 3.3Å; C500-S503 PolarHBondContact O-N 2.67Å; C500-S503 VanDerWaalsContact O-N 3.16Å
504	V	90.2	Very high	92.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68	-48.2	174	-179.2	0	0	0	0	109.8	Y186 L189 I191 I192 M251 Y254 L255 C500 D501 A502 M506 S507 F508	Y186-V504 HydrophobicContact CE2-CG1 3.98Å; L189-V504 HydrophobicContact CD1-CB 4.27Å; L189-V504 HydrophobicContact CD1-CG2 3.65Å; I191-V504 HydrophobicContact CG2-CG2 3.57Å; I192-V504 HydrophobicContact CD1-CG1 4.41Å; M251-V504 HydrophobicContact CE-CB 4.36Å; M251-V504 HydrophobicContact CE-CG1 3.65Å; Y254-V504 HydrophobicContact CE1-CG1 4.5Å; L255-V504 HydrophobicContact CD2-CB 3.92Å; L255-V504 HydrophobicContact CD2-CG1 3.83Å; L255-V504 HydrophobicContact CD2-CG2 4.08Å; C500-V504 WeakPolarHBondContact O-CG2 3.48Å; C500-V504 PolarHBondContact O-N 3.01Å; D501-V504 PolarHBondContact O-N 3.33Å; A502-V504 VanDerWaalsContact C-N 3.31Å; A502-V504 PolarHBondContact O-N 2.91Å; V504-M506 VanDerWaalsContact C-N 3.28Å; V504-M506 PolarHBondContact O-N 2.9Å; V504-S507 VanDerWaalsContact O-CB 3.25Å; V504-S507 WeakPolarHBondContact O-CB 3.45Å; V504-S507 PolarHBondContact O-N 3.1Å; V504-S507 PolarHBondContact O-OG 3.45Å; V504-F508 HydrophobicContact CG1-CE2 4.06Å; V504-F508 WeakPolarHBondContact O-CD2 3.24Å
505	T	91.4	Very high	92.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.4	-37.2	-177.9	-56.7	0	0	0	0	113	M251 D501 A502 S507 F508 T509 V522 R525 L526	M251-T505 HydrophobicContact CG-CG2 3.76Å; M251-T505 WeakPolarHBondContact CG-OG1 3.37Å; M251-T505 HydrophobicContact SD-CG2 4.18Å; D501-T505 WeakPolarHBondContact O-CB 3.48Å; D501-T505 PolarHBondContact O-N 2.92Å; D501-T505 PolarHBondContact O-OG1 3.27Å; A502-T505 WeakPolarHBondContact O-CB 3.39Å; A502-T505 PolarHBondContact O-N 3.1Å; A502-T505 VanDerWaalsContact O-N 3.15Å; T505-S507 PolarHBondContact O-N 2.69Å; T505-F508 CarbonylContact O-C 3.6Å; T505-F508 WeakPolarHBondContact O-CA 3.25Å; T505-F508 PolarHBondContact O-N 3.3Å; T505-T509 PolarHBondContact O-N 2.84Å; T505-T509 PolarHBondContact O-OG1 3.26Å; T505-V522 HydrophobicContact CG2-CB 4.49Å; T505-V522 HydrophobicContact CG2-CG1 3.91Å; T505-R525 HydrophobicContact CG2-CB 3.84Å; T505-L526 HydrophobicContact CG2-CG 4.36Å; T505-L526 VanDerWaalsContact OG1-CD2 3.25Å; T505-L526 WeakPolarHBondContact OG1-CD2 3.32Å; T505-L526 WeakPolarHBondContact OG1-CG 3.48Å
506	M	91.9	Very high	92.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.2	-31.6	174.2	-74	168.1	179.9	0	0	111.9	N270 M401 M402 F405 A502 V504 F508 T509 Y518 L519 V522	N270-M506 PolarHBondContact ND2-O 3.45Å; N270-M506 VanDerWaalsContact ND2-O 3.12Å; M401-M506 HydrophobicContact CE-CE 3.97Å; M402-M506 HydrophobicContact CB-SD 4.25Å; M402-M506 HydrophobicContact CE-CB 4.5Å; M402-M506 HydrophobicContact CG-CB 4.47Å; M402-M506 HydrophobicContact CG-CG 4.35Å; M402-M506 HydrophobicContact CG-SD 3.68Å; F405-M506 HydrophobicContact CB-CE 4.26Å; F405-M506 HydrophobicContact CB-SD 4.18Å; F405-M506 HydrophobicContact CD1-CE 3.72Å; F405-M506 HydrophobicContact CD2-CE 4.22Å; F405-M506 HydrophobicContact CE1-CE 4.04Å; F405-M506 HydrophobicContact CG-CE 3.82Å; F405-M506 HydrophobicContact CG-SD 4.38Å; F405-M506 HydrophobicContact CZ-CE 4.41Å; A502-M506 VanDerWaalsContact O-CG 3.23Å; A502-M506 WeakPolarHBondContact O-CG 3.47Å; A502-M506 PolarHBondContact O-N 3.38Å; V504-M506 VanDerWaalsContact C-N 3.28Å; V504-M506 PolarHBondContact O-N 2.9Å; M506-F508 PolarHBondContact O-N 3.31Å; M506-T509 PolarHBondContact O-N 3.09Å; M506-T509 VanDerWaalsContact O-O 3.1Å; M506-Y518 WeakPolarHBondContact CA-OH 3.32Å; M506-Y518 WeakPolarHBondContact CB-OH 3.47Å; M506-Y518 HydrophobicContact CE-CE1 4.37Å; M506-Y518 HydrophobicContact CG-CE1 3.84Å; M506-Y518 PolarHBondContact O-OH 3.33Å; M506-Y518 HydrophobicContact SD-CE1 4.46Å; M506-L519 HydrophobicContact CE-CD1 4.31Å; M506-V522 HydrophobicContact CG-CG1 4.23Å; M506-V522 HydrophobicContact CG-CG2 3.8Å
507	S	86.3	Confident	92.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.2	177.9	-43.8	0	0	0	0	113.1	P268 I269 N270 R406 V504 T505	P268-S507 CarbonylContact C-O 3.58Å; P268-S507 WeakPolarHBondContact CA-O 3.46Å; P268-S507 WeakPolarHBondContact CB-O 3.46Å; I269-S507 PolarHBondContact N-O 3.31Å; N270-S507 PolarHBondContact N-O 3.25Å; N270-S507 VanDerWaalsContact O-CA 3.25Å; N270-S507 WeakPolarHBondContact O-CA 3.4Å; R406-S507 PolarHBondContact NH2-OG 3.25Å; V504-S507 VanDerWaalsContact O-CB 3.25Å; V504-S507 WeakPolarHBondContact O-CB 3.45Å; V504-S507 PolarHBondContact O-N 3.1Å; V504-S507 PolarHBondContact O-OG 3.45Å; T505-S507 PolarHBondContact O-N 2.69Å
508	F	86	Confident	92.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	11.1	178	-59.4	-83	0	0	0	113	Y186 K247 F249 M251 Y254 E266 V267 P268 I269 V504 T505 M506	Y186-F508 HydrophobicContact CD2-CE2 4.09Å; Y186-F508 HydrophobicContact CD2-CZ 4.33Å; Y186-F508 AromaticContact CE2-CE2 3.46Å; Y186-F508 HydrophobicContact CE2-CE2 3.46Å; Y186-F508 VanDerWaalsContact CE2-CE2 3.46Å; Y186-F508 AromaticContact CE2-CZ 3.62Å; Y186-F508 HydrophobicContact CE2-CZ 3.62Å; Y186-F508 AromaticContact CZ-CZ 3.86Å; K247-F508 HydrophobicContact CD-CD1 4.25Å; F249-F508 HydrophobicContact CE1-CB 3.9Å; F249-F508 AromaticContact CE1-CD1 3.8Å; F249-F508 HydrophobicContact CE1-CD1 3.8Å; F249-F508 HydrophobicContact CE1-CG 4.01Å; F249-F508 HydrophobicContact CZ-CB 3.72Å; F249-F508 AromaticContact CZ-CD1 3.54Å; F249-F508 HydrophobicContact CZ-CD1 3.54Å; F249-F508 HydrophobicContact CZ-CD2 4.1Å; F249-F508 HydrophobicContact CZ-CE1 4.14Å; F249-F508 AromaticContact CZ-CG 3.53Å; F249-F508 HydrophobicContact CZ-CG 3.53Å; M251-F508 HydrophobicContact CE-CD2 3.84Å; M251-F508 HydrophobicContact CE-CE2 4.16Å; M251-F508 HydrophobicContact SD-CB 4.31Å; M251-F508 HydrophobicContact SD-CD2 3.99Å; M251-F508 HydrophobicContact SD-CG 4.42Å; Y254-F508 AromaticContact CE1-CE2 3.79Å; Y254-F508 HydrophobicContact CE1-CE2 3.79Å; Y254-F508 AromaticContact CE1-CZ 3.91Å; Y254-F508 HydrophobicContact CE1-CZ 3.91Å; Y254-F508 AromaticContact CZ-CZ 3.65Å; Y254-F508 WeakPolarHBondContact OH-CZ 3.3Å; E266-F508 HydrophobicContact CB-CE1 4.09Å; V267-F508 VanDerWaalsContact C-CE1 3.46Å; V267-F508 WeakPolarHBondContact O-CE1 3.37Å; P268-F508 VanDerWaalsContact CA-CE1 3.49Å; P268-F508 HydrophobicContact CB-CE1 4.32Å; P268-F508 HydrophobicContact CB-CZ 4.47Å; P268-F508 HydrophobicContact CG-CE1 4.12Å; P268-F508 HydrophobicContact CG-CZ 3.96Å; I269-F508 WeakPolarHBondContact CD1-O 3.25Å; I269-F508 VanDerWaalsContact CG1-C 3.45Å; V504-F508 HydrophobicContact CG1-CE2 4.06Å; V504-F508 WeakPolarHBondContact O-CD2 3.24Å; T505-F508 CarbonylContact O-C 3.6Å; T505-F508 WeakPolarHBondContact O-CA 3.25Å; T505-F508 PolarHBondContact O-N 3.3Å; M506-F508 PolarHBondContact O-N 3.31Å
509	T	86.6	Confident	92	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-120.2	127.5	-179.5	-50.3	0	0	0	0	108.1	Y245 N270 T505 M506 N511 Y518 I521 V522 R525	Y245-T509 HydrophobicContact CD1-CG2 4.25Å; N270-T509 WeakPolarHBondContact CB-O 3.28Å; N270-T509 PolarHBondContact ND2-O 3.31Å; T505-T509 PolarHBondContact O-N 2.84Å; T505-T509 PolarHBondContact O-OG1 3.26Å; M506-T509 PolarHBondContact O-N 3.09Å; M506-T509 VanDerWaalsContact O-O 3.1Å; T509-N511 PolarHBondContact O-N 3.45Å; T509-Y518 HydrophobicContact CG2-CD2 4.31Å; T509-Y518 HydrophobicContact CG2-CE2 3.61Å; T509-I521 HydrophobicContact CG2-CG2 3.69Å; T509-V522 HydrophobicContact CG2-CG2 4.24Å; T509-R525 WeakPolarHBondContact OG1-CD 3.41Å; T509-R525 PolarHBondContact OG1-NE 3.34Å
510	Q	85.1	Confident	91.9	Very high	66 Å²	66	10 Å²	10	31%	0.308	5%	0.049	S	C	.	.			trans	-61.7	139	176	177.3	66.8	45.9	0	0	109.2	Y245 P246 I269 Y518	Y245-Q510 HydrophobicContact CD1-CB 4.06Å; Y245-Q510 HydrophobicContact CE1-CB 3.59Å; Y245-Q510 HydrophobicContact CE1-CG 4.03Å; Y245-Q510 WeakPolarHBondContact CE1-O 3.4Å; P246-Q510 HydrophobicContact CG-CB 3.73Å; I269-Q510 HydrophobicContact CD1-CB 4.4Å; Q510-Y518 VanDerWaalsContact O-CE2 3.23Å; Q510-Y518 WeakPolarHBondContact O-CE2 3.43Å
511	N	85.9	Confident	91.8	Very high	27 Å²	27	9.8 Å²	9.8	14%	0.144	5%	0.048	C	C	.	.			trans	-67	139.3	178.6	-79.3	-24.8	0	0	0	112.1	N270 E272 M402 T509 Y518	N270-N511 PolarHBondContact ND2-ND2 2.95Å; N270-N511 PolarHBondContact ND2-OD1 3.4Å; N270-N511 PolarHBondContact OD1-ND2 2.81Å; E272-N511 PolarHBondContact OE1-ND2 3.22Å; E272-N511 PolarHBondContact OE2-ND2 3.37Å; E272-N511 VanDerWaalsContact OE2-ND2 3.08Å; M402-N511 PolarHBondContact SD-OD1 2.79Å; T509-N511 PolarHBondContact O-N 3.45Å; N511-Y518 PolarHBondContact OD1-OH 2.99Å
512	L	89.5	Confident	91.8	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.039	C	C	.	.			trans	-123.5	136.6	173.4	174.9	71.1	0	0	0	107.4	T398 V473 E477 Y483 I514 A517 Y518 I521	T398-L512 WeakPolarHBondContact CB-O 3.23Å; T398-L512 PolarHBondContact OG1-O 3.09Å; V473-L512 HydrophobicContact CG1-CD1 3.91Å; V473-L512 HydrophobicContact CG2-CD1 4.3Å; E477-L512 HydrophobicContact CG-CD1 3.78Å; Y483-L512 HydrophobicContact CD1-CD2 4.41Å; Y483-L512 HydrophobicContact CE1-CD2 3.67Å; L512-I514 HydrophobicContact CD2-CB 4.34Å; L512-I514 HydrophobicContact CG-CB 4.32Å; L512-I514 PolarHBondContact O-N 3.23Å; L512-A517 HydrophobicContact CD2-CB 3.93Å; L512-Y518 HydrophobicContact CB-CD2 4.05Å; L512-Y518 HydrophobicContact CB-CG 4.48Å; L512-I521 HydrophobicContact CD2-CD1 3.97Å
513	R	89.5	Confident	91.7	Very high	31 Å²	31	8.3 Å²	8.3	12%	0.117	4%	0.04	C	C	.	.	S	Bend	trans	-70	-14	-174.7	-63.2	173.8	-64.4	119.8	-3.6	114.5	F346 F395 E477	F346-R513 HydrophobicContact CE1-CG 4.44Å; F395-R513 HydrophobicContact CD1-CB 4.26Å; E477-R513 VanDerWaalsContact CD-NE 3.29Å; E477-R513 WeakPolarHBondContact OE1-CB 3.37Å; E477-R513 VanDerWaalsContact OE1-CG 3.27Å; E477-R513 WeakPolarHBondContact OE1-CG 3.34Å; E477-R513 IonicContact OE1-CZ 3.47Å; E477-R513 PolarHBondContact OE1-N 2.94Å; E477-R513 VanDerWaalsContact OE1-N 3.12Å; E477-R513 IonicContact OE1-NE 2.72Å; E477-R513 PolarHBondContact OE1-NE 3.48Å; E477-R513 IonicContact OE1-NH2 3.16Å; E477-R513 IonicContact OE2-CZ 3.69Å; E477-R513 VanDerWaalsContact OE2-CZ 3.22Å; E477-R513 IonicContact OE2-NE 3.36Å; E477-R513 PolarHBondContact OE2-NE 2.92Å; E477-R513 VanDerWaalsContact OE2-NE 3.08Å; E477-R513 IonicContact OE2-NH2 2.93Å; E477-R513 PolarHBondContact OE2-NH2 3.14Å
514	I	94.3	Very high	91.6	Very high	10 Å²	10	9.2 Å²	9.2	5%	0.051	5%	0.047	C	C	.	.			trans	-95.7	102	178.9	-51.3	-55.2	0	0	0	108.1	V473 L512 D516 A517 Y518	V473-I514 HydrophobicContact CG2-CD1 4.47Å; V473-I514 HydrophobicContact CG2-CG1 3.71Å; L512-I514 HydrophobicContact CD2-CB 4.34Å; L512-I514 HydrophobicContact CG-CB 4.32Å; L512-I514 PolarHBondContact O-N 3.23Å; I514-D516 WeakPolarHBondContact CG2-OD1 3.49Å; I514-A517 HydrophobicContact CB-CB 4.13Å; I514-A517 HydrophobicContact CG2-CB 3.74Å; I514-A517 PolarHBondContact O-N 3.37Å; I514-Y518 VanDerWaalsContact O-CB 3.29Å; I514-Y518 WeakPolarHBondContact O-CB 3.48Å; I514-Y518 PolarHBondContact O-N 3.45Å
515	D	95.5	Very high	91.6	Very high	10 Å²	10	9.6 Å²	9.6	5%	0.053	5%	0.049	C	C	.	.	H	α-helix	trans	-67.3	-39.3	-165.7	64.4	-46.2	0	0	0	113.7	K300 L397 T398 M401 Y518 L519	K300-D515 IonicContact NZ-OD2 3.08Å; K300-D515 PolarHBondContact NZ-OD2 2.85Å; L397-D515 HydrophobicContact CB-CB 3.94Å; T398-D515 WeakPolarHBondContact OG1-CA 3.35Å; M401-D515 HydrophobicContact CE-CB 4.43Å; M401-D515 VanDerWaalsContact CE-O 3.3Å; M401-D515 WeakPolarHBondContact CE-O 3.33Å; D515-Y518 PolarHBondContact O-N 3.26Å; D515-L519 PolarHBondContact O-N 3.27Å
516	D	95.6	Very high	91.5	Very high	25 Å²	25	9.9 Å²	9.9	13%	0.134	5%	0.05	C	C	.	.	H	α-helix	trans	-68.6	-46.4	177.3	56	-0.8	0	0	0	112.5	Y486 F487 G489 I514 Y518 L519 G520	Y486-D516 WeakPolarHBondContact CB-O 3.43Å; Y486-D516 HydrophobicContact CD2-CB 3.89Å; Y486-D516 HydrophobicContact CE2-CB 4.17Å; F487-D516 VanDerWaalsContact O-CB 3.28Å; F487-D516 WeakPolarHBondContact O-CB 3.38Å; G489-D516 PolarHBondContact N-OD2 2.88Å; I514-D516 WeakPolarHBondContact CG2-OD1 3.49Å; D516-Y518 VanDerWaalsContact C-N 3.31Å; D516-Y518 PolarHBondContact O-N 2.8Å; D516-L519 PolarHBondContact O-N 3.35Å; D516-G520 PolarHBondContact O-N 3.45Å
517	A	95.4	Very high	91.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-40.8	172.5	0	0	0	0	0	111.8	Y483 Y486 L512 I514 G520 I521	Y483-A517 HydrophobicContact CD1-CB 3.9Å; Y483-A517 HydrophobicContact CD2-CB 3.94Å; Y483-A517 HydrophobicContact CE1-CB 3.95Å; Y483-A517 HydrophobicContact CE2-CB 3.96Å; Y483-A517 HydrophobicContact CG-CB 3.9Å; Y486-A517 HydrophobicContact CD1-CB 4.37Å; Y486-A517 HydrophobicContact CE1-CB 4.34Å; L512-A517 HydrophobicContact CD2-CB 3.93Å; I514-A517 HydrophobicContact CB-CB 4.13Å; I514-A517 HydrophobicContact CG2-CB 3.74Å; I514-A517 PolarHBondContact O-N 3.37Å; A517-G520 PolarHBondContact O-N 3.32Å; A517-I521 WeakPolarHBondContact O-CG1 3.42Å; A517-I521 PolarHBondContact O-N 2.8Å
518	Y	95.3	Very high	91.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-45.1	175.2	178.6	-110.5	0	0	0	111.8	T398 M401 M402 M506 T509 Q510 N511 L512 I514 D515 D516 G520 I521 V522	T398-Y518 HydrophobicContact CG2-CD1 3.38Å; T398-Y518 HydrophobicContact CG2-CD2 4.46Å; T398-Y518 HydrophobicContact CG2-CE1 3.6Å; T398-Y518 HydrophobicContact CG2-CG 3.84Å; M401-Y518 HydrophobicContact CE-CD1 3.48Å; M401-Y518 VanDerWaalsContact CE-CD1 3.48Å; M401-Y518 HydrophobicContact CE-CE1 4.14Å; M402-Y518 HydrophobicContact CG-CE1 4.18Å; M402-Y518 HydrophobicContact SD-CE1 4.3Å; M506-Y518 WeakPolarHBondContact CA-OH 3.32Å; M506-Y518 WeakPolarHBondContact CB-OH 3.47Å; M506-Y518 HydrophobicContact CE-CE1 4.37Å; M506-Y518 HydrophobicContact CG-CE1 3.84Å; M506-Y518 PolarHBondContact O-OH 3.33Å; M506-Y518 HydrophobicContact SD-CE1 4.46Å; T509-Y518 HydrophobicContact CG2-CD2 4.31Å; T509-Y518 HydrophobicContact CG2-CE2 3.61Å; Q510-Y518 VanDerWaalsContact O-CE2 3.23Å; Q510-Y518 WeakPolarHBondContact O-CE2 3.43Å; N511-Y518 PolarHBondContact OD1-OH 2.99Å; L512-Y518 HydrophobicContact CB-CD2 4.05Å; L512-Y518 HydrophobicContact CB-CG 4.48Å; I514-Y518 VanDerWaalsContact O-CB 3.29Å; I514-Y518 WeakPolarHBondContact O-CB 3.48Å; I514-Y518 PolarHBondContact O-N 3.45Å; D515-Y518 PolarHBondContact O-N 3.26Å; D516-Y518 VanDerWaalsContact C-N 3.31Å; D516-Y518 PolarHBondContact O-N 2.8Å; Y518-G520 VanDerWaalsContact C-N 3.26Å; Y518-G520 PolarHBondContact O-N 2.89Å; Y518-I521 WeakPolarHBondContact O-CB 3.21Å; Y518-I521 PolarHBondContact O-N 3.22Å; Y518-I521 VanDerWaalsContact O-N 3.13Å; Y518-V522 HydrophobicContact CD1-CG2 4.37Å; Y518-V522 HydrophobicContact CE1-CG2 4.02Å; Y518-V522 HydrophobicContact CE2-CG2 4.22Å; Y518-V522 WeakPolarHBondContact O-CG2 3.49Å; Y518-V522 PolarHBondContact O-N 3.08Å
519	L	96.5	Very high	91.7	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-38.5	174.5	-176.9	58.6	0	0	0	111.8	M401 F405 Y492 I494 M506 D515 D516 I521 V522 L523	M401-L519 HydrophobicContact CE-CB 3.94Å; M401-L519 HydrophobicContact SD-CB 3.84Å; M401-L519 HydrophobicContact SD-CD1 4.34Å; M401-L519 HydrophobicContact SD-CD2 4.09Å; M401-L519 HydrophobicContact SD-CG 4.31Å; F405-L519 HydrophobicContact CE1-CD1 3.84Å; F405-L519 HydrophobicContact CZ-CD1 3.6Å; F405-L519 HydrophobicContact CZ-CD2 4.19Å; Y492-L519 HydrophobicContact CD1-CD2 4.26Å; Y492-L519 HydrophobicContact CD2-CD2 4.19Å; Y492-L519 HydrophobicContact CE1-CD2 3.74Å; Y492-L519 HydrophobicContact CE2-CD2 3.63Å; Y492-L519 HydrophobicContact CG-CD2 4.48Å; I494-L519 HydrophobicContact CD1-CD2 4.24Å; M506-L519 HydrophobicContact CE-CD1 4.31Å; D515-L519 PolarHBondContact O-N 3.27Å; D516-L519 PolarHBondContact O-N 3.35Å; L519-I521 VanDerWaalsContact C-N 3.35Å; L519-I521 PolarHBondContact O-N 3.02Å; L519-V522 PolarHBondContact O-N 3.35Å; L519-L523 HydrophobicContact CD1-CD1 4.16Å; L519-L523 HydrophobicContact CD1-CG 4.08Å; L519-L523 HydrophobicContact CG-CD1 3.93Å; L519-L523 HydrophobicContact CG-CG 4.28Å; L519-L523 WeakPolarHBondContact O-CB 3.42Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.29Å; L519-L523 PolarHBondContact O-N 2.75Å
520	G	95.4	Very high	92	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-56.6	-46.2	172.5	0	0	0	0	0	113.1	D516 A517 Y518 L523 A524	D516-G520 PolarHBondContact O-N 3.45Å; A517-G520 PolarHBondContact O-N 3.32Å; Y518-G520 VanDerWaalsContact C-N 3.26Å; Y518-G520 PolarHBondContact O-N 2.89Å; G520-L523 PolarHBondContact O-N 3.02Å; G520-A524 VanDerWaalsContact O-CB 3.25Å; G520-A524 WeakPolarHBondContact O-CB 3.49Å; G520-A524 PolarHBondContact O-N 3.2Å
521	I	93.3	Very high	92.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-49.4	175.5	-66	165.3	0	0	0	110.1	Y245 Y478 P484 T509 L512 A517 Y518 L519 L523 A524 R525	Y245-I521 HydrophobicContact CD1-CD1 4.25Å; Y245-I521 HydrophobicContact CD1-CG2 4.29Å; Y478-I521 HydrophobicContact CD2-CD1 4.03Å; Y478-I521 HydrophobicContact CE2-CD1 3.54Å; Y478-I521 HydrophobicContact CE2-CG1 4.32Å; P484-I521 HydrophobicContact CG-CB 4.42Å; P484-I521 HydrophobicContact CG-CG1 3.88Å; T509-I521 HydrophobicContact CG2-CG2 3.69Å; L512-I521 HydrophobicContact CD2-CD1 3.97Å; A517-I521 WeakPolarHBondContact O-CG1 3.42Å; A517-I521 PolarHBondContact O-N 2.8Å; Y518-I521 WeakPolarHBondContact O-CB 3.21Å; Y518-I521 PolarHBondContact O-N 3.22Å; Y518-I521 VanDerWaalsContact O-N 3.13Å; L519-I521 VanDerWaalsContact C-N 3.35Å; L519-I521 PolarHBondContact O-N 3.02Å; I521-L523 PolarHBondContact O-N 3.11Å; I521-A524 PolarHBondContact O-N 2.83Å; I521-R525 WeakPolarHBondContact O-CG 3.47Å; I521-R525 PolarHBondContact O-N 2.89Å
522	V	94	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-45.4	178.8	170.3	0	0	0	0	111.8	A502 T505 M506 T509 Y518 L519 R525 L526	A502-V522 HydrophobicContact CB-CG1 3.71Å; T505-V522 HydrophobicContact CG2-CB 4.49Å; T505-V522 HydrophobicContact CG2-CG1 3.91Å; M506-V522 HydrophobicContact CG-CG1 4.23Å; M506-V522 HydrophobicContact CG-CG2 3.8Å; T509-V522 HydrophobicContact CG2-CG2 4.24Å; Y518-V522 HydrophobicContact CD1-CG2 4.37Å; Y518-V522 HydrophobicContact CE1-CG2 4.02Å; Y518-V522 HydrophobicContact CE2-CG2 4.22Å; Y518-V522 WeakPolarHBondContact O-CG2 3.49Å; Y518-V522 PolarHBondContact O-N 3.08Å; L519-V522 PolarHBondContact O-N 3.35Å; V522-R525 WeakPolarHBondContact O-CB 3.32Å; V522-R525 PolarHBondContact O-N 3.01Å; V522-L526 PolarHBondContact O-N 2.78Å
523	L	94.5	Very high	92.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-71.4	-32.2	179.5	-67.3	175.1	0	0	0	112.7	I449 F487 V498 L519 G520 I521 L526 N527 K528 L530	I449-L523 HydrophobicContact CD1-CD2 4.42Å; I449-L523 HydrophobicContact CG2-CD1 4.2Å; F487-L523 HydrophobicContact CE2-CD1 4.26Å; V498-L523 HydrophobicContact CG1-CD2 3.9Å; L519-L523 HydrophobicContact CD1-CD1 4.16Å; L519-L523 HydrophobicContact CD1-CG 4.08Å; L519-L523 HydrophobicContact CG-CD1 3.93Å; L519-L523 HydrophobicContact CG-CG 4.28Å; L519-L523 WeakPolarHBondContact O-CB 3.42Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.29Å; L519-L523 PolarHBondContact O-N 2.75Å; G520-L523 PolarHBondContact O-N 3.02Å; I521-L523 PolarHBondContact O-N 3.11Å; L523-L526 PolarHBondContact O-N 2.92Å; L523-N527 PolarHBondContact O-N 3.08Å; L523-K528 PolarHBondContact O-N 3.17Å; L523-K528 VanDerWaalsContact O-N 3.1Å; L523-L530 HydrophobicContact CB-CD2 4.27Å; L523-L530 HydrophobicContact CD1-CD2 3.69Å
524	A	92.1	Very high	92.5	Very high	19 Å²	19	38.4 Å²	38.4	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-40.8	173.7	0	0	0	0	0	111.8	P484 G520 I521 L526 N527	P484-A524 HydrophobicContact CB-CB 3.72Å; P484-A524 HydrophobicContact CG-CB 3.93Å; G520-A524 VanDerWaalsContact O-CB 3.25Å; G520-A524 WeakPolarHBondContact O-CB 3.49Å; G520-A524 PolarHBondContact O-N 3.2Å; I521-A524 PolarHBondContact O-N 2.83Å; A524-L526 PolarHBondContact O-N 3.35Å; A524-N527 PolarHBondContact O-N 3.38Å
525	R	88.8	Confident	91.8	Very high	9 Å²	9	38.5 Å²	38.5	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-31.6	172.9	-72.8	180	70.9	89.5	19.6	112.7	R243 Y245 K247 T505 T509 I521 V522 N527	R243-R525 VanDerWaalsContact O-CG 3.23Å; R243-R525 WeakPolarHBondContact O-CG 3.21Å; Y245-R525 PolarHBondContact O-NH1 3.47Å; K247-R525 VanDerWaalsContact O-CZ 3.24Å; K247-R525 PolarHBondContact O-NH1 2.84Å; K247-R525 PolarHBondContact O-NH2 3.48Å; T505-R525 HydrophobicContact CG2-CB 3.84Å; T509-R525 WeakPolarHBondContact OG1-CD 3.41Å; T509-R525 PolarHBondContact OG1-NE 3.34Å; I521-R525 WeakPolarHBondContact O-CG 3.47Å; I521-R525 PolarHBondContact O-N 2.89Å; V522-R525 WeakPolarHBondContact O-CB 3.32Å; V522-R525 PolarHBondContact O-N 3.01Å; R525-N527 VanDerWaalsContact C-N 3.28Å
526	L	91.1	Very high	91.2	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.8	175.9	-71.1	172.4	0	0	0	114.1	M251 T252 L255 D501 A502 T505 V522 L523 A524 K528	M251-L526 HydrophobicContact CB-CD2 4.42Å; M251-L526 HydrophobicContact CG-CD2 3.9Å; T252-L526 PolarHBondContact OG1-O 3.4Å; L255-L526 HydrophobicContact CD1-CD2 3.43Å; L255-L526 VanDerWaalsContact CD1-CD2 3.43Å; D501-L526 HydrophobicContact CB-CD1 3.77Å; D501-L526 HydrophobicContact CB-CD2 3.93Å; A502-L526 HydrophobicContact CB-CD1 4.17Å; T505-L526 HydrophobicContact CG2-CG 4.36Å; T505-L526 VanDerWaalsContact OG1-CD2 3.25Å; T505-L526 WeakPolarHBondContact OG1-CD2 3.32Å; T505-L526 WeakPolarHBondContact OG1-CG 3.48Å; V522-L526 PolarHBondContact O-N 2.78Å; L523-L526 PolarHBondContact O-N 2.92Å; A524-L526 PolarHBondContact O-N 3.35Å; L526-K528 HydrophobicContact CB-CD 4.43Å; L526-K528 HydrophobicContact CB-CG 3.67Å; L526-K528 PolarHBondContact O-N 2.93Å; L526-K528 VanDerWaalsContact O-N 3.13Å
527	N	89.4	Confident	90.1	Very high	98 Å²	98	40.4 Å²	40.4	52%	0.524	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	33.1	-174.6	-67.6	-49	0	0	0	113.4	L523 A524 R525	L523-N527 PolarHBondContact O-N 3.08Å; A524-N527 PolarHBondContact O-N 3.38Å; R525-N527 VanDerWaalsContact C-N 3.28Å
528	K	88.7	Confident	88.7	Confident	65 Å²	65	43.4 Å²	43.4	28%	0.283	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-83.2	136.1	-178.5	-62.9	-64	-176.2	177.5	0	111	I449 D501 L523 L526	I449-K528 HydrophobicContact CD1-CB 3.41Å; I449-K528 VanDerWaalsContact CD1-CB 3.41Å; I449-K528 HydrophobicContact CD1-CD 3.78Å; I449-K528 HydrophobicContact CD1-CG 3.55Å; D501-K528 IonicContact OD2-NZ 3.82Å; D501-K528 PolarHBondContact OD2-NZ 3.08Å; L523-K528 PolarHBondContact O-N 3.17Å; L523-K528 VanDerWaalsContact O-N 3.1Å; L526-K528 HydrophobicContact CB-CD 4.43Å; L526-K528 HydrophobicContact CB-CG 3.67Å; L526-K528 PolarHBondContact O-N 2.93Å; L526-K528 VanDerWaalsContact O-N 3.13Å
529	K	88.5	Confident	87.4	Confident	175 Å²	175	51 Å²	51	76%	0.761	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-85	124	171.7	-175.5	179.2	178.4	-178.7	0	110.2
530	L	94.3	Very high	85.8	Confident	27 Å²	27	52.7 Å²	52.7	14%	0.141	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-81	136.1	177	-52.3	-172.9	0	0	0	111.2	I449 I453 P485 F487 L523	I449-L530 HydrophobicContact CG2-CD2 3.71Å; I453-L530 HydrophobicContact CD1-CB 3.61Å; I453-L530 HydrophobicContact CG1-CB 4.09Å; P485-L530 HydrophobicContact CB-CD1 4.17Å; P485-L530 WeakPolarHBondContact O-CD1 3.41Å; F487-L530 HydrophobicContact CE1-CB 4.01Å; F487-L530 HydrophobicContact CE1-CD1 4.29Å; F487-L530 HydrophobicContact CE2-CD2 4.05Å; F487-L530 HydrophobicContact CZ-CB 3.98Å; F487-L530 HydrophobicContact CZ-CD1 4.35Å; F487-L530 HydrophobicContact CZ-CD2 3.85Å; F487-L530 HydrophobicContact CZ-CG 4.27Å; L523-L530 HydrophobicContact CB-CD2 4.27Å; L523-L530 HydrophobicContact CD1-CD2 3.69Å
531	N	94.7	Very high	84.3	Confident	64 Å²	64	57 Å²	57	34%	0.342	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.6	173.8	-60.3	-67.5	0	0	0	111.3	I449 G450 G451 L533	I449-N531 VanDerWaalsContact O-CB 3.26Å; I449-N531 WeakPolarHBondContact O-CB 3.29Å; I449-N531 PolarHBondContact O-N 2.71Å; I449-N531 VanDerWaalsContact O-N 3.1Å; I449-N531 PolarHBondContact O-ND2 2.78Å; G450-N531 VanDerWaalsContact CA-O 3.25Å; G450-N531 WeakPolarHBondContact CA-O 3.33Å; G451-N531 PolarHBondContact N-O 3.07Å; N531-L533 PolarHBondContact O-N 3.42Å
532	Q	93.4	Very high	82.8	Confident	101 Å²	101	63.3 Å²	63.3	47%	0.472	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120	176.1	178.9	63.9	37.7	0	0	110.5	G451 I453	G451-Q532 WeakPolarHBondContact O-CA 3.14Å; I453-Q532 HydrophobicContact CD1-CB 4.02Å
533	L	91.1	Very high	81.5	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.089	35%	0.347	C	S	.	.			trans	-103.1	103.6	173.4	-67.6	-176	0	0	0	111	L436 Y448 G450 G451 I493 N531 G535 F536	L436-L533 HydrophobicContact CD1-CD1 4.36Å; L436-L533 HydrophobicContact CD1-CD2 3.88Å; L436-L533 HydrophobicContact CD2-CD1 3.9Å; Y448-L533 WeakPolarHBondContact OH-CD2 3.48Å; G450-L533 VanDerWaalsContact C-CD1 3.48Å; G451-L533 PolarHBondContact O-N 3.06Å; I493-L533 HydrophobicContact CG2-CD1 3.66Å; N531-L533 PolarHBondContact O-N 3.42Å; L533-G535 PolarHBondContact O-N 3.27Å; L533-F536 HydrophobicContact CB-CD2 3.72Å; L533-F536 HydrophobicContact CB-CE2 4.29Å; L533-F536 HydrophobicContact CB-CG 4.27Å; L533-F536 HydrophobicContact CD1-CD2 3.94Å; L533-F536 HydrophobicContact CD1-CE2 3.64Å; L533-F536 HydrophobicContact CD1-CZ 4.17Å; L533-F536 PolarHBondContact O-N 2.79Å; L533-F536 VanDerWaalsContact O-N 3.12Å
534	K	79.9	Confident	80.3	Confident	178 Å²	178	70 Å²	70	77%	0.774	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	-180	-63.9	-176.1	179.6	-178.5	0	114.2	F536 R537	K534-F536 VanDerWaalsContact C-N 3.28Å; K534-R537 WeakPolarHBondContact O-CG 3.13Å
535	G	81	Confident	79	Confident	11 Å²	11	75 Å²	75	11%	0.113	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.6	175.7	0	0	0	0	0	113.8	L533 R537 A549 I550	L533-G535 PolarHBondContact O-N 3.27Å; G535-R537 PolarHBondContact O-N 3.21Å; G535-A549 WeakPolarHBondContact O-CA 3.27Å; G535-I550 PolarHBondContact O-N 2.8Å
536	F	81.6	Confident	77.9	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.018	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-91.7	90.2	175.9	-74.1	-125.6	0	0	0	107.2	L420 L436 P452 G491 L533 K534 I550 I551	L420-F536 HydrophobicContact CD1-CZ 4.17Å; L436-F536 HydrophobicContact CD2-CE2 3.81Å; L436-F536 HydrophobicContact CD2-CZ 4.39Å; P452-F536 HydrophobicContact CB-CB 4.01Å; P452-F536 WeakPolarHBondContact CB-O 3.48Å; P452-F536 HydrophobicContact CG-CB 3.84Å; G491-F536 VanDerWaalsContact O-CD1 3.31Å; G491-F536 WeakPolarHBondContact O-CD1 3.37Å; L533-F536 HydrophobicContact CB-CD2 3.72Å; L533-F536 HydrophobicContact CB-CE2 4.29Å; L533-F536 HydrophobicContact CB-CG 4.27Å; L533-F536 HydrophobicContact CD1-CD2 3.94Å; L533-F536 HydrophobicContact CD1-CE2 3.64Å; L533-F536 HydrophobicContact CD1-CZ 4.17Å; L533-F536 PolarHBondContact O-N 2.79Å; L533-F536 VanDerWaalsContact O-N 3.12Å; K534-F536 VanDerWaalsContact C-N 3.28Å; F536-I550 HydrophobicContact CD2-CB 4.12Å; F536-I550 HydrophobicContact CD2-CD1 4.14Å; F536-I550 HydrophobicContact CD2-CG2 4.29Å; F536-I550 HydrophobicContact CE2-CB 3.98Å; F536-I550 HydrophobicContact CE2-CD1 3.83Å; F536-I550 HydrophobicContact CE2-CG2 3.68Å; F536-I550 HydrophobicContact CZ-CG2 4.11Å; F536-I551 HydrophobicContact CD1-CD1 3.24Å; F536-I551 HydrophobicContact CD1-CG1 3.92Å; F536-I551 HydrophobicContact CE1-CD1 3.34Å; F536-I551 HydrophobicContact CE1-CG1 3.99Å; F536-I551 HydrophobicContact CG-CD1 4.08Å; F536-I551 HydrophobicContact CG-CG1 4.34Å; F536-I551 HydrophobicContact CZ-CD1 4.24Å; F536-I551 HydrophobicContact CZ-CG1 4.47Å
537	R	73.3	Confident	76.9	Confident	71 Å²	71	80.6 Å²	80.6	27%	0.268	41%	0.413	S	S	.	.			trans	-97.8	129.1	-173.7	-61.5	-174.1	178.3	-151.3	0.3	110.4	I490 K534 G535 Q539 D541 S547	I490-R537 WeakPolarHBondContact CD1-O 3.35Å; K534-R537 WeakPolarHBondContact O-CG 3.13Å; G535-R537 PolarHBondContact O-N 3.21Å; R537-Q539 WeakPolarHBondContact CB-O 3.45Å; R537-D541 IonicContact NH1-OD2 3.08Å; R537-D541 PolarHBondContact NH1-OD2 3.13Å; R537-D541 VanDerWaalsContact NH1-OD2 3.08Å; R537-S547 PolarHBondContact NH2-O 3.12Å
538	V	66.7	Low	76.4	Confident	63 Å²	63	77.5 Å²	77.5	38%	0.382	40%	0.404	S	S	.	.	S	Bend	trans	-69.3	-37.6	175.8	-179.1	0	0	0	0	110.9	Y488 I490	Y488-V538 HydrophobicContact CD1-CG2 4.21Å; Y488-V538 HydrophobicContact CD2-CG2 3.82Å; Y488-V538 HydrophobicContact CE1-CG2 4.5Å; Y488-V538 HydrophobicContact CE2-CG2 4.17Å; Y488-V538 HydrophobicContact CG-CG2 3.85Å; I490-V538 HydrophobicContact CD1-CG2 4.05Å
539	Q	67.8	Low	76.2	Confident	160 Å²	160	74.5 Å²	74.5	75%	0.748	39%	0.391	S	S	*	.	S	Bend	trans	-111.2	130.6	174.4	-65.2	179.2	16.2	0	0	109.4	R537	R537-Q539 WeakPolarHBondContact CB-O 3.45Å
540	T	63	Low	76.3	Confident	36 Å²	36	66.7 Å²	66.7	22%	0.221	36%	0.358	C	S	.	.			trans	-87.7	117.5	175.3	53.3	0	0	0	0	110.1	I552 Q553 S556	T540-I552 HydrophobicContact CG2-CB 4.36Å; T540-I552 HydrophobicContact CG2-CG2 3.82Å; T540-Q553 HydrophobicContact CG2-CB 4.16Å; T540-S556 PolarHBondContact OG1-OG 3.3Å
541	D	63.9	Low	76	Confident	92 Å²	92	65.4 Å²	65.4	49%	0.492	35%	0.351	S	S	.	.			trans	-75.6	155.5	163.3	-56.1	-40	0	0	0	109.7	R537 N543	R537-D541 IonicContact NH1-OD2 3.08Å; R537-D541 PolarHBondContact NH1-OD2 3.13Å; R537-D541 VanDerWaalsContact NH1-OD2 3.08Å; D541-N543 PolarHBondContact O-N 2.95Å; D541-N543 VanDerWaalsContact O-N 3.16Å
542	T	61.2	Low	75.7	Confident	132 Å²	132	62.4 Å²	62.4	81%	0.81	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.1	179.6	48.4	0	0	0	0	113.8	F544	T542-F544 PolarHBondContact O-N 3.19Å
543	N	66.6	Low	75.3	Confident	116 Å²	116	61.3 Å²	61.3	62%	0.62	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	45.5	-179.5	-79.2	-15.4	0	0	0	113	D541 E545 S546 S547	D541-N543 PolarHBondContact O-N 2.95Å; D541-N543 VanDerWaalsContact O-N 3.16Å; N543-E545 PolarHBondContact O-N 2.8Å; N543-S546 PolarHBondContact O-OG 3.3Å; N543-S546 VanDerWaalsContact O-OG 3.09Å; N543-S547 VanDerWaalsContact O-CB 3.27Å; N543-S547 WeakPolarHBondContact O-CB 3.42Å; N543-S547 PolarHBondContact O-N 3.41Å
544	F	68.8	Low	75.1	Confident	27 Å²	27	64.2 Å²	64.2	12%	0.118	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.4	-169.2	49.8	-100.1	0	0	0	115	T542 S547 G548 A549 I552 L560	T542-F544 PolarHBondContact O-N 3.19Å; F544-S547 WeakPolarHBondContact CA-OG 3.47Å; F544-S547 WeakPolarHBondContact O-CB 3.39Å; F544-S547 PolarHBondContact O-N 3.09Å; F544-S547 PolarHBondContact O-OG 2.95Å; F544-G548 PolarHBondContact O-N 3Å; F544-A549 HydrophobicContact CB-CB 4.04Å; F544-A549 PolarHBondContact O-N 3.08Å; F544-I552 HydrophobicContact CB-CD1 4.06Å; F544-I552 HydrophobicContact CB-CG1 4.48Å; F544-I552 HydrophobicContact CD2-CD1 3.7Å; F544-I552 HydrophobicContact CE2-CD1 4.49Å; F544-I552 HydrophobicContact CG-CD1 3.95Å; F544-L560 HydrophobicContact CD2-CD1 4.25Å; F544-L560 HydrophobicContact CD2-CD2 3.89Å; F544-L560 HydrophobicContact CD2-CG 4.24Å; F544-L560 HydrophobicContact CE2-CD1 3.88Å; F544-L560 HydrophobicContact CE2-CD2 3.21Å; F544-L560 HydrophobicContact CE2-CG 3.43Å; F544-L560 VanDerWaalsContact CE2-CG 3.43Å; F544-L560 HydrophobicContact CZ-CD1 4.19Å; F544-L560 HydrophobicContact CZ-CD2 4Å; F544-L560 HydrophobicContact CZ-CG 3.72Å
545	E	64.4	Low	75.2	Confident	123 Å²	123	60 Å²	60	58%	0.575	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-49.7	-178.4	-63.2	-165.9	161.1	0	0	112.1	N543 S547 G548 L560	N543-E545 PolarHBondContact O-N 2.8Å; E545-S547 PolarHBondContact O-N 3.33Å; E545-G548 PolarHBondContact O-N 2.89Å; E545-L560 HydrophobicContact CG-CD2 4.49Å
546	S	66.2	Low	75	Confident	104 Å²	104	61.5 Å²	61.5	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.3	177.1	58.9	0	0	0	0	112.2	N543 G548	N543-S546 PolarHBondContact O-OG 3.3Å; N543-S546 VanDerWaalsContact O-OG 3.09Å; S546-G548 VanDerWaalsContact C-N 3.3Å; S546-G548 PolarHBondContact O-N 2.92Å
547	S	69.6	Low	74.7	Confident	29 Å²	29	61.3 Å²	61.3	20%	0.203	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.3	180	93.9	0	0	0	0	114.4	R537 N543 F544 E545 A549	R537-S547 PolarHBondContact NH2-O 3.12Å; N543-S547 VanDerWaalsContact O-CB 3.27Å; N543-S547 WeakPolarHBondContact O-CB 3.42Å; N543-S547 PolarHBondContact O-N 3.41Å; F544-S547 WeakPolarHBondContact CA-OG 3.47Å; F544-S547 WeakPolarHBondContact O-CB 3.39Å; F544-S547 PolarHBondContact O-N 3.09Å; F544-S547 PolarHBondContact O-OG 2.95Å; E545-S547 PolarHBondContact O-N 3.33Å; S547-A549 VanDerWaalsContact C-N 3.32Å; S547-A549 PolarHBondContact OG-N 3.44Å
548	G	79.8	Confident	74.4	Confident	32 Å²	32	60 Å²	60	33%	0.33	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	24	-174.6	0	0	0	0	0	113.8	F544 E545 S546 I550	F544-G548 PolarHBondContact O-N 3Å; E545-G548 PolarHBondContact O-N 2.89Å; S546-G548 VanDerWaalsContact C-N 3.3Å; S546-G548 PolarHBondContact O-N 2.92Å; G548-I550 PolarHBondContact O-N 2.54Å
549	A	84.8	Confident	73.9	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	37%	0.365	C	S	.	.			trans	-62.4	132.6	179.4	0	0	0	0	0	110.9	H429 N432 G535 F544 S547 I552	H429-A549 WeakPolarHBondContact CB-O 3.31Å; N432-A549 WeakPolarHBondContact CB-O 3.47Å; N432-A549 PolarHBondContact ND2-O 3.28Å; G535-A549 WeakPolarHBondContact O-CA 3.27Å; F544-A549 HydrophobicContact CB-CB 4.04Å; F544-A549 PolarHBondContact O-N 3.08Å; S547-A549 VanDerWaalsContact C-N 3.32Å; S547-A549 PolarHBondContact OG-N 3.44Å; A549-I552 HydrophobicContact CB-CD1 4.25Å; A549-I552 HydrophobicContact CB-CG1 3.96Å
550	I	89.3	Confident	73.6	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.062	34%	0.336	C	S	.	.	S	Bend	trans	-100.8	-44.2	177.6	-64.9	174.7	0	0	0	109.2	L428 H429 N432 T433 L436 G535 F536 G548	L428-I550 CarbonylContact C-O 3.56Å; L428-I550 WeakPolarHBondContact CA-O 3.48Å; L428-I550 HydrophobicContact CD2-CG2 4.23Å; H429-I550 PolarHBondContact N-O 3.45Å; N432-I550 HydrophobicContact CB-CG1 4.02Å; T433-I550 HydrophobicContact CG2-CG2 4.48Å; L436-I550 HydrophobicContact CB-CD1 3.72Å; L436-I550 HydrophobicContact CD2-CD1 3.57Å; L436-I550 HydrophobicContact CG-CD1 4.14Å; G535-I550 PolarHBondContact O-N 2.8Å; F536-I550 HydrophobicContact CD2-CB 4.12Å; F536-I550 HydrophobicContact CD2-CD1 4.14Å; F536-I550 HydrophobicContact CD2-CG2 4.29Å; F536-I550 HydrophobicContact CE2-CB 3.98Å; F536-I550 HydrophobicContact CE2-CD1 3.83Å; F536-I550 HydrophobicContact CE2-CG2 3.68Å; F536-I550 HydrophobicContact CZ-CG2 4.11Å; G548-I550 PolarHBondContact O-N 2.54Å
551	I	89	Confident	73.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.7	175.5	-70.2	-172.5	0	0	0	108.9	I422 Y426 V427 L428 F536	I422-I551 HydrophobicContact CG2-CD1 3.5Å; I422-I551 HydrophobicContact CG2-CG1 4.15Å; Y426-I551 HydrophobicContact CD1-CG2 3.29Å; Y426-I551 HydrophobicContact CE1-CG2 4.1Å; Y426-I551 HydrophobicContact CG-CG2 3.74Å; V427-I551 WeakPolarHBondContact O-CA 3.42Å; L428-I551 HydrophobicContact CD2-CG1 3.91Å; F536-I551 HydrophobicContact CD1-CD1 3.24Å; F536-I551 HydrophobicContact CD1-CG1 3.92Å; F536-I551 HydrophobicContact CE1-CD1 3.34Å; F536-I551 HydrophobicContact CE1-CG1 3.99Å; F536-I551 HydrophobicContact CG-CD1 4.08Å; F536-I551 HydrophobicContact CG-CG1 4.34Å; F536-I551 HydrophobicContact CZ-CD1 4.24Å; F536-I551 HydrophobicContact CZ-CG1 4.47Å
552	I	87.7	Confident	72.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.3	-178	-56.6	172.6	0	0	0	107.8	Y426 V427 H429 T540 F544 A549 R554 A557 L560	Y426-I552 CarbonylContact C-O 3.6Å; Y426-I552 WeakPolarHBondContact CA-O 3.48Å; V427-I552 HydrophobicContact CG2-CB 3.77Å; V427-I552 HydrophobicContact CG2-CG2 4.38Å; V427-I552 WeakPolarHBondContact CG2-O 3.34Å; V427-I552 PolarHBondContact N-O 3.35Å; V427-I552 PolarHBondContact O-N 3.17Å; H429-I552 HydrophobicContact CB-CD1 4.18Å; T540-I552 HydrophobicContact CG2-CB 4.36Å; T540-I552 HydrophobicContact CG2-CG2 3.82Å; F544-I552 HydrophobicContact CB-CD1 4.06Å; F544-I552 HydrophobicContact CB-CG1 4.48Å; F544-I552 HydrophobicContact CD2-CD1 3.7Å; F544-I552 HydrophobicContact CE2-CD1 4.49Å; F544-I552 HydrophobicContact CG-CD1 3.95Å; A549-I552 HydrophobicContact CB-CD1 4.25Å; A549-I552 HydrophobicContact CB-CG1 3.96Å; I552-R554 PolarHBondContact O-N 3.05Å; I552-A557 HydrophobicContact CG2-CB 4.34Å; I552-L560 HydrophobicContact CB-CD1 4.39Å; I552-L560 HydrophobicContact CD1-CD1 3.43Å; I552-L560 VanDerWaalsContact CD1-CD1 3.43Å; I552-L560 HydrophobicContact CD1-CD2 4.47Å; I552-L560 HydrophobicContact CG1-CD1 4.48Å; I552-L560 HydrophobicContact CG2-CD1 4.11Å
553	Q	86.7	Confident	73.4	Confident	78 Å²	78	58.1 Å²	58.1	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.4	175.9	-165.8	179	6.6	0	0	110.1	Y426 T540 S555 S556 A557	Y426-Q553 HydrophobicContact CD1-CB 4.32Å; Y426-Q553 HydrophobicContact CE1-CB 4.12Å; Y426-Q553 HydrophobicContact CE1-CG 4.46Å; T540-Q553 HydrophobicContact CG2-CB 4.16Å; Q553-S555 VanDerWaalsContact C-N 3.25Å; Q553-S555 VanDerWaalsContact CD-OG 3.29Å; Q553-S555 WeakPolarHBondContact CG-OG 3.37Å; Q553-S555 PolarHBondContact O-N 3.41Å; Q553-S556 WeakPolarHBondContact O-CB 3.4Å; Q553-S556 PolarHBondContact O-N 3.07Å; Q553-A557 PolarHBondContact O-N 3.37Å; Q553-A557 VanDerWaalsContact O-N 3.13Å
554	R	85.4	Confident	73.8	Confident	79 Å²	79	55.1 Å²	55.1	30%	0.298	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.6	-176.1	-172.4	-173.8	72.1	97	-1.8	113	Y311 D425 V427 I552 S556 A557	Y311-R554 HydrophobicContact CD1-CG 3.91Å; Y311-R554 HydrophobicContact CE1-CG 3.82Å; D425-R554 VanDerWaalsContact O-CB 3.28Å; D425-R554 WeakPolarHBondContact O-CB 3.42Å; D425-R554 PolarHBondContact O-N 3.37Å; V427-R554 HydrophobicContact CG1-CB 4.16Å; V427-R554 HydrophobicContact CG1-CG 4.21Å; I552-R554 PolarHBondContact O-N 3.05Å; R554-S556 PolarHBondContact O-N 2.81Å; R554-A557 WeakPolarHBondContact O-CB 3.5Å; R554-A557 PolarHBondContact O-N 3.34Å; R554-A557 VanDerWaalsContact O-N 3.09Å
555	S	82.1	Confident	74.1	Confident	90 Å²	90	56.6 Å²	56.6	63%	0.629	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.8	176.8	49.3	0	0	0	0	112.9	Q553	Q553-S555 VanDerWaalsContact C-N 3.25Å; Q553-S555 VanDerWaalsContact CD-OG 3.29Å; Q553-S555 WeakPolarHBondContact CG-OG 3.37Å; Q553-S555 PolarHBondContact O-N 3.41Å
556	S	78.2	Confident	74.6	Confident	41 Å²	41	52.7 Å²	52.7	29%	0.287	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-16.9	177.2	-49.5	0	0	0	0	112.3	T540 Q553 R554	T540-S556 PolarHBondContact OG1-OG 3.3Å; Q553-S556 WeakPolarHBondContact O-CB 3.4Å; Q553-S556 PolarHBondContact O-N 3.07Å; R554-S556 PolarHBondContact O-N 2.81Å
557	A	74.9	Confident	75.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.5	-6.5	-171.6	0	0	0	0	0	115.2	Y311 V427 I552 Q553 R554 L559 L560	Y311-A557 PolarHBondContact OH-O 3.16Å; V427-A557 HydrophobicContact CB-CB 4.36Å; V427-A557 HydrophobicContact CG1-CB 3.95Å; V427-A557 HydrophobicContact CG2-CB 3.46Å; V427-A557 VanDerWaalsContact CG2-CB 3.46Å; I552-A557 HydrophobicContact CG2-CB 4.34Å; Q553-A557 PolarHBondContact O-N 3.37Å; Q553-A557 VanDerWaalsContact O-N 3.13Å; R554-A557 WeakPolarHBondContact O-CB 3.5Å; R554-A557 PolarHBondContact O-N 3.34Å; R554-A557 VanDerWaalsContact O-N 3.09Å; A557-L559 PolarHBondContact O-N 2.94Å; A557-L560 HydrophobicContact CB-CD1 3.92Å; A557-L560 WeakPolarHBondContact O-CB 3.28Å; A557-L560 PolarHBondContact O-N 2.91Å
558	G	66.4	Low	75.5	Confident	43 Å²	43	50.9 Å²	50.9	44%	0.443	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-50.9	-26.2	-176.1	0	0	0	0	0	114.8
559	L	56.6	Low	75.2	Confident	138 Å²	138	52.2 Å²	52.2	72%	0.723	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-89.8	-11.9	-180	-65.4	166.7	0	0	0	115	A557	A557-L559 PolarHBondContact O-N 2.94Å
560	L	61.3	Low	74.5	Confident	28 Å²	28	56.1 Å²	56.1	15%	0.147	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-25.4	-172	-88.9	160.7	0	0	0	114.6	V427 F544 E545 I552 A557	V427-L560 HydrophobicContact CG2-CD1 4.37Å; F544-L560 HydrophobicContact CD2-CD1 4.25Å; F544-L560 HydrophobicContact CD2-CD2 3.89Å; F544-L560 HydrophobicContact CD2-CG 4.24Å; F544-L560 HydrophobicContact CE2-CD1 3.88Å; F544-L560 HydrophobicContact CE2-CD2 3.21Å; F544-L560 HydrophobicContact CE2-CG 3.43Å; F544-L560 VanDerWaalsContact CE2-CG 3.43Å; F544-L560 HydrophobicContact CZ-CD1 4.19Å; F544-L560 HydrophobicContact CZ-CD2 4Å; F544-L560 HydrophobicContact CZ-CG 3.72Å; E545-L560 HydrophobicContact CG-CD2 4.49Å; I552-L560 HydrophobicContact CB-CD1 4.39Å; I552-L560 HydrophobicContact CD1-CD1 3.43Å; I552-L560 VanDerWaalsContact CD1-CD1 3.43Å; I552-L560 HydrophobicContact CD1-CD2 4.47Å; I552-L560 HydrophobicContact CG1-CD1 4.48Å; I552-L560 HydrophobicContact CG2-CD1 4.11Å; A557-L560 HydrophobicContact CB-CD1 3.92Å; A557-L560 WeakPolarHBondContact O-CB 3.28Å; A557-L560 PolarHBondContact O-N 2.91Å
561	F	61.7	Low	73.3	Confident	56 Å²	56	59.8 Å²	59.8	25%	0.246	35%	0.345	C	S	.	.			trans	-127.5	8.7	-166.9	-54.1	-74.7	0	0	0	113.1	T315 L321 V427 P430	T315-F561 HydrophobicContact CG2-CB 3.58Å; T315-F561 HydrophobicContact CG2-CD2 3.67Å; T315-F561 HydrophobicContact CG2-CE2 4.48Å; T315-F561 HydrophobicContact CG2-CG 3.7Å; L321-F561 HydrophobicContact CD1-CD1 4.44Å; L321-F561 HydrophobicContact CD1-CE1 4.44Å; V427-F561 HydrophobicContact CB-CE2 4.3Å; V427-F561 HydrophobicContact CG2-CE2 4.12Å; P430-F561 HydrophobicContact CG-CE1 4.47Å
562	T	49.3	Very low	71.8	Confident	164 Å²	164	65.2 Å²	65.2	100%	1.006	38%	0.377	S	S	*	.			trans	-91.8	0	164.4	55.1	0	0	0	0	108.6

Retrieved 562 of 562 residues in 520.2 ms (Link to these results)

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