A0A3Q0KG89_SCHMA Loading...

PBPe domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KG89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 480 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	39	Very low	34.3	Very low	215 Å²	215	141.5 Å²	141.5	100%	1.059	74%	0.741	S	S	*	*				0	84.9	0	-168	167.8	166	0	0	106.5	M3	M1-M3 HydrophobicContact CE-CE 3.65Å; M1-M3 PolarHBondContact O-N 3.32Å
2	E	28.7	Very low	34.6	Very low	193 Å²	193	138.9 Å²	138.9	90%	0.902	73%	0.727	S	S	*	*			trans	-67.1	120.6	174.8	-69.6	174.5	145.6	0	0	108.1
3	M	31.1	Very low	35.1	Very low	146 Å²	146	136 Å²	136	72%	0.719	72%	0.718	S	S	*	*			trans	-139.5	80.7	163.9	-126.3	-174.2	-77.6	0	0	108.6	M1 L5	M1-M3 HydrophobicContact CE-CE 3.65Å; M1-M3 PolarHBondContact O-N 3.32Å; M3-L5 PolarHBondContact O-N 3.34Å
4	V	28.5	Very low	35.7	Very low	125 Å²	125	133.2 Å²	133.2	76%	0.758	70%	0.702	S	S	*	*			trans	20.8	100.2	136.5	-171	0	0	0	0	115.3
5	L	32.4	Very low	36.5	Very low	151 Å²	151	128.5 Å²	128.5	79%	0.791	69%	0.685	S	S	*	*			trans	-122.7	61.3	155	-100.4	153.3	0	0	0	108.7	M3	M3-L5 PolarHBondContact O-N 3.34Å
6	S	27.5	Very low	37.2	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	68%	0.681	S	S	*	*			trans	-87.3	85.8	157.6	178.6	0	0	0	0	107.5
7	T	34.3	Very low	37.6	Very low	91 Å²	91	126.2 Å²	126.2	56%	0.558	67%	0.665	S	S	*	*			trans	-134.2	104.8	160.2	48.6	0	0	0	0	108.7	H9	T7-H9 PolarHBondContact O-N 3.5Å
8	K	36.6	Very low	38.2	Very low	201 Å²	201	123.7 Å²	123.7	87%	0.874	66%	0.655	S	S	*	*	S	Bend	trans	-65	8.3	-172.3	-133.5	173.3	-179.3	179.7	0	115
9	H	41.9	Very low	38.6	Very low	165 Å²	165	120.8 Å²	120.8	76%	0.764	64%	0.64	S	S	*	*			trans	-150.2	65.3	-175.5	-73.9	-38.4	0	0	0	111.7	T7 P11	T7-H9 PolarHBondContact O-N 3.5Å; H9-P11 WeakPolarHBondContact O-CD 2.92Å
10	N	35.6	Very low	39	Very low	71 Å²	71	122.9 Å²	122.9	38%	0.38	64%	0.639	S	S	.	*			trans	-93.8	108.1	174.1	-142.4	-13.4	0	0	0	109.8	L12 V13	N10-L12 PolarHBondContact O-N 2.91Å; N10-L12 VanDerWaalsContact O-N 3.08Å; N10-V13 HydrophobicContact CB-CG2 4.4Å; N10-V13 PolarHBondContact O-N 2.91Å
11	P	41.9	Very low	39.3	Very low	93 Å²	93	120.3 Å²	120.3	60%	0.604	63%	0.632	S	S	*	*	H	α-helix	trans	-62	-19.7	-174.2	23.6	-33.2	0	0	0	113.4	H9 I14 S15	H9-P11 WeakPolarHBondContact O-CD 2.92Å; P11-I14 PolarHBondContact O-N 2.91Å; P11-S15 PolarHBondContact O-N 3.41Å
12	L	37.5	Very low	39.9	Very low	110 Å²	110	113.6 Å²	113.6	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-62.4	-42.6	172.4	-90.9	147.5	0	0	0	112.5	N10 I14 S15 Y16	N10-L12 PolarHBondContact O-N 2.91Å; N10-L12 VanDerWaalsContact O-N 3.08Å; L12-I14 VanDerWaalsContact C-N 3.31Å; L12-I14 PolarHBondContact O-N 2.74Å; L12-S15 PolarHBondContact O-N 3.19Å; L12-S15 PolarHBondContact O-OG 3.48Å; L12-Y16 HydrophobicContact CD2-CE2 4.47Å; L12-Y16 WeakPolarHBondContact O-CD2 3.44Å; L12-Y16 PolarHBondContact O-N 3.45Å
13	V	41	Very low	40.8	Very low	101 Å²	101	107.8 Å²	107.8	61%	0.612	58%	0.577	S	S	*	*	H	α-helix	trans	-70.7	-31.1	179.5	-178.4	0	0	0	0	111.2	N10 S17	N10-V13 HydrophobicContact CB-CG2 4.4Å; N10-V13 PolarHBondContact O-N 2.91Å; V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 VanDerWaalsContact O-N 3.09Å; V13-S17 PolarHBondContact O-OG 3.24Å
14	I	44.3	Very low	41.4	Very low	97 Å²	97	104.6 Å²	104.6	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-69.7	-39.2	174.5	-58.9	175.2	0	0	0	110.3	P11 L12 Y16 S17 V18	P11-I14 PolarHBondContact O-N 2.91Å; L12-I14 VanDerWaalsContact C-N 3.31Å; L12-I14 PolarHBondContact O-N 2.74Å; I14-Y16 PolarHBondContact O-N 2.94Å; I14-S17 WeakPolarHBondContact CA-OG 3.17Å; I14-S17 PolarHBondContact O-N 3.5Å; I14-S17 PolarHBondContact O-OG 2.96Å; I14-S17 VanDerWaalsContact O-OG 3.12Å; I14-V18 HydrophobicContact CG2-CG2 4.16Å; I14-V18 WeakPolarHBondContact O-CB 3.33Å; I14-V18 WeakPolarHBondContact O-CG2 3.3Å; I14-V18 PolarHBondContact O-N 3.29Å
15	S	47	Very low	42.1	Very low	62 Å²	62	104 Å²	104	43%	0.434	56%	0.555	S	S	.	*	H	α-helix	trans	-64.7	-40.6	176.9	79.8	0	0	0	0	112.9	P11 L12 L19	P11-S15 PolarHBondContact O-N 3.41Å; L12-S15 PolarHBondContact O-N 3.19Å; L12-S15 PolarHBondContact O-OG 3.48Å; S15-L19 VanDerWaalsContact O-CB 3.24Å; S15-L19 WeakPolarHBondContact O-CB 3.21Å; S15-L19 PolarHBondContact O-N 2.91Å
16	Y	47.4	Very low	42.6	Very low	160 Å²	160	100.6 Å²	100.6	63%	0.627	54%	0.54	S	S	*	.	H	α-helix	trans	-71	-38.1	178.1	-86	-78.8	0	0	0	112.6	L12 I14 Y20	L12-Y16 HydrophobicContact CD2-CE2 4.47Å; L12-Y16 WeakPolarHBondContact O-CD2 3.44Å; L12-Y16 PolarHBondContact O-N 3.45Å; I14-Y16 PolarHBondContact O-N 2.94Å; Y16-Y20 VanDerWaalsContact O-CB 3.29Å; Y16-Y20 WeakPolarHBondContact O-CB 3.4Å; Y16-Y20 PolarHBondContact O-N 3.27Å
17	S	44.6	Very low	43	Very low	59 Å²	59	99.6 Å²	99.6	41%	0.413	53%	0.533	S	S	.	.	H	α-helix	trans	-72.3	-36	177	47.6	0	0	0	0	112.5	V13 I14 C21	V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 VanDerWaalsContact O-N 3.09Å; V13-S17 PolarHBondContact O-OG 3.24Å; I14-S17 WeakPolarHBondContact CA-OG 3.17Å; I14-S17 PolarHBondContact O-N 3.5Å; I14-S17 PolarHBondContact O-OG 2.96Å; I14-S17 VanDerWaalsContact O-OG 3.12Å; S17-C21 WeakPolarHBondContact O-CB 3.29Å; S17-C21 PolarHBondContact O-N 2.97Å; S17-C21 PolarHBondContact O-SG 2.97Å; S17-C21 VanDerWaalsContact O-SG 3.36Å
18	V	48.3	Very low	43.1	Very low	80 Å²	80	100 Å²	100	49%	0.485	53%	0.53	S	S	.	.	H	α-helix	trans	-67.1	-41.4	172.7	172.6	0	0	0	0	110.9	I14 C21 T22	I14-V18 HydrophobicContact CG2-CG2 4.16Å; I14-V18 WeakPolarHBondContact O-CB 3.33Å; I14-V18 WeakPolarHBondContact O-CG2 3.3Å; I14-V18 PolarHBondContact O-N 3.29Å; V18-C21 PolarHBondContact O-N 3.49Å; V18-T22 HydrophobicContact CG1-CG2 4.41Å; V18-T22 WeakPolarHBondContact O-CG2 3.34Å; V18-T22 PolarHBondContact O-N 3.44Å; V18-T22 PolarHBondContact O-OG1 2.94Å; V18-T22 VanDerWaalsContact O-OG1 3.05Å
19	L	46.5	Very low	43	Very low	69 Å²	69	95.2 Å²	95.2	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-68.8	-34.5	178.2	-159.1	135.7	0	0	0	112.6	S15 T22 L23	S15-L19 VanDerWaalsContact O-CB 3.24Å; S15-L19 WeakPolarHBondContact O-CB 3.21Å; S15-L19 PolarHBondContact O-N 2.91Å; L19-T22 WeakPolarHBondContact CA-OG1 3.39Å; L19-T22 PolarHBondContact O-OG1 3.15Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å; L19-L23 HydrophobicContact CD2-CD1 3.91Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.18Å; L19-L23 VanDerWaalsContact O-N 3.17Å
20	Y	47	Very low	42.6	Very low	162 Å²	162	94.1 Å²	94.1	64%	0.635	52%	0.516	S	S	*	.	H	α-helix	trans	-69.6	-41.4	172.7	-168	-98.9	0	0	0	112	Y16 L24	Y16-Y20 VanDerWaalsContact O-CB 3.29Å; Y16-Y20 WeakPolarHBondContact O-CB 3.4Å; Y16-Y20 PolarHBondContact O-N 3.27Å; Y20-L24 HydrophobicContact CD1-CD1 3.7Å; Y20-L24 HydrophobicContact CE1-CD1 3.33Å; Y20-L24 WeakPolarHBondContact O-CB 3.4Å; Y20-L24 PolarHBondContact O-N 3.32Å
21	C	45.1	Very low	42.5	Very low	70 Å²	70	95.7 Å²	95.7	47%	0.473	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-36.8	176.5	-77.7	0	0	0	0	113	S17 V18 L24 L25	S17-C21 WeakPolarHBondContact O-CB 3.29Å; S17-C21 PolarHBondContact O-N 2.97Å; S17-C21 PolarHBondContact O-SG 2.97Å; S17-C21 VanDerWaalsContact O-SG 3.36Å; V18-C21 PolarHBondContact O-N 3.49Å; C21-L24 PolarHBondContact O-N 2.96Å; C21-L25 WeakPolarHBondContact O-CB 3.44Å; C21-L25 PolarHBondContact O-N 3.22Å
22	T	50.8	Low	41.9	Very low	73 Å²	73	97.6 Å²	97.6	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-69.8	-40.3	176.4	51	0	0	0	0	111.9	V18 L19 L25 T26	V18-T22 HydrophobicContact CG1-CG2 4.41Å; V18-T22 WeakPolarHBondContact O-CG2 3.34Å; V18-T22 PolarHBondContact O-N 3.44Å; V18-T22 PolarHBondContact O-OG1 2.94Å; V18-T22 VanDerWaalsContact O-OG1 3.05Å; L19-T22 WeakPolarHBondContact CA-OG1 3.39Å; L19-T22 PolarHBondContact O-OG1 3.15Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å; T22-L25 PolarHBondContact O-N 3.22Å; T22-T26 WeakPolarHBondContact O-CG2 3.27Å; T22-T26 PolarHBondContact O-N 3.03Å; T22-T26 PolarHBondContact O-OG1 3.07Å
23	L	48.1	Very low	41.3	Very low	71 Å²	71	96.9 Å²	96.9	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-43.3	172.4	-84.9	163.7	0	0	0	112	L19 T26 C27	L19-L23 HydrophobicContact CD2-CD1 3.91Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.18Å; L19-L23 VanDerWaalsContact O-N 3.17Å; L23-T26 PolarHBondContact O-OG1 3.37Å; L23-C27 WeakPolarHBondContact O-CB 3.45Å; L23-C27 PolarHBondContact O-N 3.29Å; L23-C27 VanDerWaalsContact O-N 3.12Å; L23-C27 PolarHBondContact O-SG 3.13Å
24	L	44.1	Very low	40.6	Very low	79 Å²	79	101.5 Å²	101.5	41%	0.414	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-43.1	175.3	-95.1	160.3	0	0	0	112.6	Y20 C21 C27 I28	Y20-L24 HydrophobicContact CD1-CD1 3.7Å; Y20-L24 HydrophobicContact CE1-CD1 3.33Å; Y20-L24 WeakPolarHBondContact O-CB 3.4Å; Y20-L24 PolarHBondContact O-N 3.32Å; C21-L24 PolarHBondContact O-N 2.96Å; L24-C27 PolarHBondContact O-N 2.96Å; L24-I28 HydrophobicContact CD2-CD1 4.39Å; L24-I28 WeakPolarHBondContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å; L24-I28 PolarHBondContact O-N 3.3Å
25	L	43.1	Very low	39.5	Very low	113 Å²	113	102.9 Å²	102.9	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-66.3	-39.3	178.1	-104.5	134	0	0	0	112.5	C21 T22 C27 I28 V29	C21-L25 WeakPolarHBondContact O-CB 3.44Å; C21-L25 PolarHBondContact O-N 3.22Å; T22-L25 PolarHBondContact O-N 3.22Å; L25-C27 VanDerWaalsContact C-N 3.31Å; L25-C27 PolarHBondContact O-N 3Å; L25-I28 PolarHBondContact O-N 3.33Å; L25-V29 WeakPolarHBondContact O-CB 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.46Å
26	T	41.5	Very low	38.3	Very low	79 Å²	79	106.9 Å²	106.9	49%	0.485	59%	0.588	S	S	.	*	H	α-helix	trans	-67.7	-32.3	175.6	50.2	0	0	0	0	112.6	T22 L23	T22-T26 WeakPolarHBondContact O-CG2 3.27Å; T22-T26 PolarHBondContact O-N 3.03Å; T22-T26 PolarHBondContact O-OG1 3.07Å; L23-T26 PolarHBondContact O-OG1 3.37Å
27	C	35.7	Very low	37.1	Very low	86 Å²	86	107.7 Å²	107.7	58%	0.581	60%	0.595	S	S	*	*	H	α-helix	trans	-73.6	-31.4	175	-72.9	0	0	0	0	113	L23 L24 L25	L23-C27 WeakPolarHBondContact O-CB 3.45Å; L23-C27 PolarHBondContact O-N 3.29Å; L23-C27 VanDerWaalsContact O-N 3.12Å; L23-C27 PolarHBondContact O-SG 3.13Å; L24-C27 PolarHBondContact O-N 2.96Å; L25-C27 VanDerWaalsContact C-N 3.31Å; L25-C27 PolarHBondContact O-N 3Å
28	I	37.9	Very low	36.2	Very low	98 Å²	98	111.4 Å²	111.4	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-82	-28.9	179.9	-66.9	163.9	0	0	0	112.1	L24 L25 T31	L24-I28 HydrophobicContact CD2-CD1 4.39Å; L24-I28 WeakPolarHBondContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å; L24-I28 PolarHBondContact O-N 3.3Å; L25-I28 PolarHBondContact O-N 3.33Å; I28-T31 PolarHBondContact O-OG1 3.41Å
29	V	34.6	Very low	35.2	Very low	101 Å²	101	112.6 Å²	112.6	61%	0.612	62%	0.618	S	S	*	*	H	α-helix	trans	-81	-24.9	-177.4	173.2	0	0	0	0	112.6	L25	L25-V29 WeakPolarHBondContact O-CB 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.46Å
30	L	33.9	Very low	34.2	Very low	142 Å²	142	117 Å²	117	74%	0.743	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-15.4	178.7	-103.3	98.9	0	0	0	115.1
31	T	33.2	Very low	33.3	Very low	105 Å²	105	115 Å²	115	64%	0.644	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-5.7	-174.7	49.2	0	0	0	0	114.7	I28	I28-T31 PolarHBondContact O-OG1 3.41Å
32	N	29.5	Very low	32.5	Very low	133 Å²	133	114.7 Å²	114.7	71%	0.711	64%	0.635	S	S	*	*	S	Bend	trans	-117.7	17.9	-167.7	-80.5	-38.5	0	0	0	116.2
33	S	24.9	Very low	31.5	Very low	95 Å²	95	117.5 Å²	117.5	66%	0.664	64%	0.643	S	S	*	*			trans	-111.8	89.1	177.3	58.5	0	0	0	0	112.7
34	Q	25	Very low	30.5	Very low	197 Å²	197	120.5 Å²	120.5	92%	0.921	65%	0.654	S	S	*	*			trans	-161.6	90	145.1	-108.5	170.4	29.3	0	0	110.7
35	T	21.7	Very low	29.9	Very low	126 Å²	126	121 Å²	121	77%	0.773	66%	0.66	S	S	*	*			trans	-95.6	118.2	164.1	45.6	0	0	0	0	109
36	V	22	Very low	29.2	Very low	147 Å²	147	122.1 Å²	122.1	89%	0.891	66%	0.662	S	S	*	*			trans	-148	132.6	152.2	-173.6	0	0	0	0	109.7
37	F	21.1	Very low	28.6	Very low	176 Å²	176	125 Å²	125	77%	0.772	67%	0.668	S	S	*	*			trans	-87.2	140.7	-174.9	-94.1	-111.1	0	0	0	113.4
38	I	25.5	Very low	28.3	Very low	138 Å²	138	123.7 Å²	123.7	71%	0.708	66%	0.657	S	S	*	*				38.9	146.6	123.3	-47.3	-174.6	0	0	0	118.5
39	P	28	Very low	28	Very low	104 Å²	104	126.3 Å²	126.3	68%	0.675	67%	0.665	S	S	*	*			cis	-141.6	174.6	25.6	13	17	0	0	0	120.7
40	E	25.9	Very low	27.9	Very low	163 Å²	163	127.6 Å²	127.6	76%	0.762	67%	0.667	S	S	*	*			trans	71.6	102.2	140.2	-71.4	166.5	-170	0	0	123.5
41	L	27.2	Very low	27.8	Very low	118 Å²	118	126.5 Å²	126.5	62%	0.618	66%	0.662	S	S	*	*	S	Bend	trans	-92.6	4.5	166.3	-156.7	74	0	0	0	112.9	I324	L41-I324 HydrophobicContact CD2-CG2 3.97Å
42	S	29	Very low	27.5	Very low	65 Å²	65	127 Å²	127	46%	0.455	66%	0.657	S	S	.	*	H	α-helix	trans	-74.1	-22.3	-173.9	39.3	0	0	0	0	114.4	F44 T45	S42-F44 PolarHBondContact O-N 2.86Å; S42-T45 PolarHBondContact O-OG1 3.26Å
43	E	29.6	Very low	27.4	Very low	132 Å²	132	125.5 Å²	125.5	62%	0.617	66%	0.657	S	S	*	*	H	α-helix	trans	-74	-19.9	-179.1	-90.7	-164.2	132.6	0	0	114.6	K47	E43-K47 PolarHBondContact O-N 3.22Å
44	F	28	Very low	27.6	Very low	134 Å²	134	126.4 Å²	126.4	59%	0.588	66%	0.659	S	S	*	*	H	α-helix	trans	-80.2	-35	-176.9	-153	-91.7	0	0	0	112.2	S42 E46 T48	S42-F44 PolarHBondContact O-N 2.86Å; F44-E46 VanDerWaalsContact C-N 3.28Å; F44-E46 PolarHBondContact O-N 2.97Å; F44-T48 HydrophobicContact CD1-CG2 4.42Å; F44-T48 HydrophobicContact CE1-CG2 4.29Å; F44-T48 WeakPolarHBondContact O-CG2 3.4Å; F44-T48 PolarHBondContact O-OG1 3Å
45	T	30.4	Very low	27.6	Very low	90 Å²	90	125.6 Å²	125.6	55%	0.552	66%	0.657	S	S	*	*	H	α-helix	trans	-72.5	-17.2	175.6	24.9	0	0	0	0	114.2	S42	S42-T45 PolarHBondContact O-OG1 3.26Å
46	E	27.8	Very low	27.8	Very low	135 Å²	135	126.9 Å²	126.9	63%	0.631	65%	0.652	S	S	*	*	H	α-helix	trans	-95.1	-33.7	-177.4	-145.7	170.4	-158.2	0	0	112.2	F44	F44-E46 VanDerWaalsContact C-N 3.28Å; F44-E46 PolarHBondContact O-N 2.97Å
47	K	29.8	Very low	28.1	Very low	140 Å²	140	122.9 Å²	122.9	61%	0.609	64%	0.64	S	S	*	*	H	α-helix	trans	-75.4	-26.2	174.6	-78.4	175.5	179.4	160	0	113.7	E43	E43-K47 PolarHBondContact O-N 3.22Å
48	T	29.8	Very low	28.8	Very low	58 Å²	58	118.6 Å²	118.6	36%	0.356	63%	0.625	S	S	.	*	H	α-helix	trans	-75.8	-33.1	175.3	52.8	0	0	0	0	112.7	F44 I50 N51 E52	F44-T48 HydrophobicContact CD1-CG2 4.42Å; F44-T48 HydrophobicContact CE1-CG2 4.29Å; F44-T48 WeakPolarHBondContact O-CG2 3.4Å; F44-T48 PolarHBondContact O-OG1 3Å; T48-I50 PolarHBondContact O-N 3.46Å; T48-N51 PolarHBondContact O-N 3.32Å; T48-E52 VanDerWaalsContact O-CG 3.25Å; T48-E52 WeakPolarHBondContact O-CG 3.36Å; T48-E52 PolarHBondContact O-N 3.46Å
49	K	30.4	Very low	28.9	Very low	153 Å²	153	115.3 Å²	115.3	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-64.5	-21.9	176.2	-83.8	-179.3	176.3	177.4	0	114.6
50	I	32.1	Very low	29.3	Very low	128 Å²	128	111.6 Å²	111.6	66%	0.656	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-17.2	-176.2	-62.9	170.2	0	0	0	112	T48	T48-I50 PolarHBondContact O-N 3.46Å
51	N	32	Very low	29.5	Very low	119 Å²	119	107.1 Å²	107.1	64%	0.636	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	3.7	178.6	-74.3	-17.3	0	0	0	114.4	T48 S53	T48-N51 PolarHBondContact O-N 3.32Å; N51-S53 PolarHBondContact O-N 2.81Å; N51-S53 VanDerWaalsContact O-N 3.1Å
52	E	27.7	Very low	29.8	Very low	116 Å²	116	104.2 Å²	104.2	54%	0.542	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-5.8	-175.1	-102.8	165.5	-162.3	0	0	115.2	T48	T48-E52 VanDerWaalsContact O-CG 3.25Å; T48-E52 WeakPolarHBondContact O-CG 3.36Å; T48-E52 PolarHBondContact O-N 3.46Å
53	S	27.7	Very low	29.8	Very low	102 Å²	102	107 Å²	107	71%	0.713	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-6.4	-175.6	60.6	0	0	0	0	115.8	N51	N51-S53 PolarHBondContact O-N 2.81Å; N51-S53 VanDerWaalsContact O-N 3.1Å
54	T	27.9	Very low	30	Very low	114 Å²	114	104.7 Å²	104.7	70%	0.699	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	-4.1	-167.4	43.3	0	0	0	0	118.4
55	M	25.3	Very low	30.1	Very low	180 Å²	180	100.2 Å²	100.2	89%	0.887	54%	0.541	S	S	*	.			trans	-103.1	83.6	176.5	-81.4	-154.2	169.7	0	0	112.8
56	K	26.1	Very low	30.2	Very low	153 Å²	153	103.9 Å²	103.9	67%	0.665	56%	0.557	S	S	*	*			trans	-111.3	109.1	170.6	-73	-178.8	177.3	178.7	0	109.6	Y91	K56-Y91 HydrophobicContact CB-CE1 4.06Å
57	G	28.9	Very low	30.4	Very low	62 Å²	62	101.2 Å²	101.2	64%	0.639	55%	0.547	S	S	*	.			trans	66.3	122.6	168.3	0	0	0	0	0	115.4	L59	G57-L59 PolarHBondContact O-N 2.79Å
58	L	35	Very low	30.5	Very low	87 Å²	87	98 Å²	98	46%	0.455	54%	0.541	S	S	.	.			trans	-75	98.5	176.4	-155	101.9	0	0	0	109.6	V60 I78	L58-V60 HydrophobicContact CD2-CG2 3.8Å; L58-V60 PolarHBondContact O-N 2.85Å; L58-I78 HydrophobicContact CD2-CD1 4.31Å
59	L	29.3	Very low	30.4	Very low	69 Å²	69	99.6 Å²	99.6	36%	0.361	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.1	170.7	-140.7	114.6	0	0	0	107.7	G57 D61 M95	G57-L59 PolarHBondContact O-N 2.79Å; L59-D61 PolarHBondContact O-N 2.95Å; L59-M95 HydrophobicContact CD1-CB 3.86Å; L59-M95 HydrophobicContact CD1-CE 3.9Å; L59-M95 HydrophobicContact CD1-CG 3.85Å; L59-M95 HydrophobicContact CD1-SD 3.65Å
60	V	35.8	Very low	30.4	Very low	26 Å²	26	97.5 Å²	97.5	16%	0.158	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.7	172.4	-176.8	0	0	0	0	107.5	L58 L62	L58-V60 HydrophobicContact CD2-CG2 3.8Å; L58-V60 PolarHBondContact O-N 2.85Å; V60-L62 PolarHBondContact O-N 3.05Å
61	D	30.8	Very low	30.4	Very low	68 Å²	68	92.4 Å²	92.4	36%	0.364	51%	0.514	S	S	.	.			trans	-82.8	97.3	174.7	-151.9	-3.1	0	0	0	109.2	L59 L63 S64	L59-D61 PolarHBondContact O-N 2.95Å; D61-L63 PolarHBondContact O-N 3.45Å; D61-S64 PolarHBondContact O-N 3.22Å; D61-S64 PolarHBondContact O-OG 3.37Å; D61-S64 VanDerWaalsContact O-OG 3.13Å
62	L	33	Very low	30.3	Very low	57 Å²	57	90.1 Å²	90.1	30%	0.298	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-58.1	-19.6	-175.8	-86.1	162.9	0	0	0	113.8	V60 S64 L103	V60-L62 PolarHBondContact O-N 3.05Å; L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.4Å; L62-L103 HydrophobicContact CD1-CD1 3.49Å; L62-L103 VanDerWaalsContact CD1-CD1 3.49Å; L62-L103 HydrophobicContact CD1-CD2 4.46Å; L62-L103 HydrophobicContact CD1-CG 3.65Å; L62-L103 HydrophobicContact CD2-CD1 4.44Å; L62-L103 HydrophobicContact CG-CD1 4.09Å; L62-L103 HydrophobicContact CG-CG 4.41Å
63	L	29.3	Very low	30.2	Very low	125 Å²	125	92.3 Å²	92.3	65%	0.654	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-79	-3.1	-177.3	-77.9	170.4	0	0	0	114.8	D61	D61-L63 PolarHBondContact O-N 3.45Å
64	S	32.1	Very low	30.2	Very low	83 Å²	83	89 Å²	89	58%	0.58	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-110	0.1	178	66.1	0	0	0	0	114.4	D61 L62 D66	D61-S64 PolarHBondContact O-N 3.22Å; D61-S64 PolarHBondContact O-OG 3.37Å; D61-S64 VanDerWaalsContact O-OG 3.13Å; L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.4Å; S64-D66 PolarHBondContact O-N 2.87Å
65	V	31.8	Very low	30.4	Very low	39 Å²	39	85.5 Å²	85.5	24%	0.236	46%	0.457	C	S	.	.			trans	-99.3	76.1	-170.8	-172.3	0	0	0	0	110.2	N67 Q70 V71	V65-N67 WeakPolarHBondContact CG1-O 3.47Å; V65-N67 PolarHBondContact O-N 2.91Å; V65-Q70 HydrophobicContact CG1-CB 4.35Å; V65-V71 HydrophobicContact CG1-CG2 3.63Å
66	D	31	Very low	30.5	Very low	168 Å²	168	79.4 Å²	79.4	90%	0.898	43%	0.427	S	S	*	.	S	Bend	trans	-73.2	-5.1	169.1	-76.8	-29.3	0	0	0	112.3	S64	S64-D66 PolarHBondContact O-N 2.87Å
67	N	31.8	Very low	30.5	Very low	79 Å²	79	76 Å²	76	42%	0.422	42%	0.422	S	S	.	.			trans	-134.4	116.2	-172.2	-153.7	-17.5	0	0	0	112.4	V65 L69 Q70	V65-N67 WeakPolarHBondContact CG1-O 3.47Å; V65-N67 PolarHBondContact O-N 2.91Å; N67-L69 PolarHBondContact O-N 3.35Å; N67-Q70 PolarHBondContact O-N 3.36Å
68	P	32.4	Very low	30.7	Very low	72 Å²	72	76.6 Å²	76.6	47%	0.468	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-17.6	-179	22	-32.9	0	0	0	114.1
69	L	28.7	Very low	30.5	Very low	92 Å²	92	76.3 Å²	76.3	48%	0.482	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-27.6	172.9	-80.3	154.3	0	0	0	113.5	N67 V71 Q72 Y73	N67-L69 PolarHBondContact O-N 3.35Å; L69-V71 PolarHBondContact O-N 3.04Å; L69-Q72 WeakPolarHBondContact O-CB 3.47Å; L69-Q72 PolarHBondContact O-N 3.37Å; L69-Y73 VanDerWaalsContact O-CD2 3.3Å; L69-Y73 WeakPolarHBondContact O-CD2 3.49Å; L69-Y73 PolarHBondContact O-N 3.4Å
70	Q	30.6	Very low	30.6	Very low	108 Å²	108	76.1 Å²	76.1	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-71.1	-30.8	-179.4	-83.9	176.1	-25.6	0	0	112.9	V65 N67 Q72 Y73 S74	V65-Q70 HydrophobicContact CG1-CB 4.35Å; N67-Q70 PolarHBondContact O-N 3.36Å; Q70-Q72 VanDerWaalsContact C-N 3.28Å; Q70-Y73 PolarHBondContact O-N 3.3Å; Q70-S74 PolarHBondContact O-N 2.64Å; Q70-S74 VanDerWaalsContact O-N 3.14Å; Q70-S74 PolarHBondContact O-OG 2.71Å
71	V	31.6	Very low	30.4	Very low	21 Å²	21	83.4 Å²	83.4	13%	0.127	44%	0.439	C	S	.	.	H	α-helix	trans	-68	-32.8	172.5	-175.8	0	0	0	0	110.9	V65 L69 S74 I75 Y399	V65-V71 HydrophobicContact CG1-CG2 3.63Å; L69-V71 PolarHBondContact O-N 3.04Å; V71-S74 WeakPolarHBondContact CA-OG 3Å; V71-S74 PolarHBondContact O-N 3.04Å; V71-S74 PolarHBondContact O-OG 2.84Å; V71-S74 VanDerWaalsContact O-OG 3.06Å; V71-I75 HydrophobicContact CG1-CD1 3.73Å; V71-I75 HydrophobicContact CG1-CG1 4.44Å; V71-I75 WeakPolarHBondContact O-CD1 3.43Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.5Å; V71-I75 PolarHBondContact O-N 3.23Å; V71-Y399 HydrophobicContact CG1-CE1 4.47Å
72	Q	28.8	Very low	30.5	Very low	71 Å²	71	86.5 Å²	86.5	33%	0.332	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-39.2	176.8	-168.5	177.6	-14.8	0	0	111.6	L69 Q70 Q76	L69-Q72 WeakPolarHBondContact O-CB 3.47Å; L69-Q72 PolarHBondContact O-N 3.37Å; Q70-Q72 VanDerWaalsContact C-N 3.28Å; Q72-Q76 WeakPolarHBondContact O-CB 3.34Å; Q72-Q76 WeakPolarHBondContact O-CG 3.46Å; Q72-Q76 PolarHBondContact O-N 3.22Å
73	Y	26.4	Very low	30.3	Very low	163 Å²	163	88.2 Å²	88.2	64%	0.639	46%	0.461	S	S	*	.	H	α-helix	trans	-74.3	-33.5	177	-79.9	-75.1	0	0	0	113.6	L69 Q70 I75 Q76	L69-Y73 VanDerWaalsContact O-CD2 3.3Å; L69-Y73 WeakPolarHBondContact O-CD2 3.49Å; L69-Y73 PolarHBondContact O-N 3.4Å; Q70-Y73 PolarHBondContact O-N 3.3Å; Y73-I75 VanDerWaalsContact C-N 3.34Å; Y73-Q76 PolarHBondContact O-N 3.24Å
74	S	28	Very low	30.5	Very low	32 Å²	32	84.9 Å²	84.9	22%	0.224	45%	0.446	C	S	.	.	H	α-helix	trans	-72.6	-27.2	179.2	63.8	0	0	0	0	113.3	Q70 V71	Q70-S74 PolarHBondContact O-N 2.64Å; Q70-S74 VanDerWaalsContact O-N 3.14Å; Q70-S74 PolarHBondContact O-OG 2.71Å; V71-S74 WeakPolarHBondContact CA-OG 3Å; V71-S74 PolarHBondContact O-N 3.04Å; V71-S74 PolarHBondContact O-OG 2.84Å; V71-S74 VanDerWaalsContact O-OG 3.06Å
75	I	31.2	Very low	30.9	Very low	41 Å²	41	84.6 Å²	84.6	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-81.2	-29.7	174.7	-64.6	169.5	0	0	0	111.6	V71 Y73 S77 F140 F420	V71-I75 HydrophobicContact CG1-CD1 3.73Å; V71-I75 HydrophobicContact CG1-CG1 4.44Å; V71-I75 WeakPolarHBondContact O-CD1 3.43Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.5Å; V71-I75 PolarHBondContact O-N 3.23Å; Y73-I75 VanDerWaalsContact C-N 3.34Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 3.48Å; I75-F140 HydrophobicContact CD1-CZ 4.38Å; I75-F140 HydrophobicContact CG2-CE1 4.49Å; I75-F140 HydrophobicContact CG2-CZ 4.38Å; I75-F420 HydrophobicContact CG2-CE2 4.29Å; I75-F420 HydrophobicContact CG2-CZ 3.93Å
76	Q	28.8	Very low	31	Very low	52 Å²	52	86 Å²	86	24%	0.243	46%	0.456	C	S	.	.	S	Bend	trans	-76.3	-4.6	-173.5	-85.6	-179.3	-21.5	0	0	115.4	Q72 Y73 I412 K413	Q72-Q76 WeakPolarHBondContact O-CB 3.34Å; Q72-Q76 WeakPolarHBondContact O-CG 3.46Å; Q72-Q76 PolarHBondContact O-N 3.22Å; Y73-Q76 PolarHBondContact O-N 3.24Å; Q76-I412 HydrophobicContact CG-CG2 4.37Å; Q76-K413 PolarHBondContact NE2-O 2.95Å
77	S	25.6	Very low	31.5	Very low	81 Å²	81	81.5 Å²	81.5	57%	0.566	44%	0.435	S	S	*	.			trans	-134.5	68.5	-174.7	66.6	0	0	0	0	112.9	I75	I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 3.48Å
78	I	32.6	Very low	32.5	Very low	74 Å²	74	81.1 Å²	81.1	38%	0.379	43%	0.432	S	S	.	.			trans	-130.2	95.6	171.7	-50.5	178.6	0	0	0	110.5	L58 V80 L105	L58-I78 HydrophobicContact CD2-CD1 4.31Å; I78-V80 HydrophobicContact CG2-CG2 3.95Å; I78-V80 PolarHBondContact O-N 3.5Å; I78-V80 VanDerWaalsContact O-N 3.14Å; I78-L105 HydrophobicContact CD1-CD2 4.35Å
79	P	30.5	Very low	33.3	Very low	81 Å²	81	79.1 Å²	79.1	53%	0.526	42%	0.419	S	S	.	.			trans	-69.4	103.6	157.7	28.2	-28.7	0	0	0	107.7	R81	P79-R81 PolarHBondContact O-N 3.06Å
80	V	31.6	Very low	34.4	Very low	66 Å²	66	81 Å²	81	40%	0.4	43%	0.425	S	S	.	.			trans	-71.3	83.1	172.5	-175.3	0	0	0	0	107.9	I78	I78-V80 HydrophobicContact CG2-CG2 3.95Å; I78-V80 PolarHBondContact O-N 3.5Å; I78-V80 VanDerWaalsContact O-N 3.14Å
81	R	31.9	Very low	35.5	Very low	178 Å²	178	79.6 Å²	79.6	67%	0.672	42%	0.416	S	S	*	.			trans	-127.6	96.1	164.8	-86.2	-172.4	176.4	178.9	-0.3	107.5	P79	P79-R81 PolarHBondContact O-N 3.06Å
82	Q	32.3	Very low	36.7	Very low	133 Å²	133	79 Å²	79	62%	0.621	41%	0.413	S	S	*	.	S	Bend	trans	164.9	117.5	145.1	-91.4	164.7	11.7	0	0	111.1
83	N	30.4	Very low	38.1	Very low	93 Å²	93	77 Å²	77	50%	0.497	40%	0.404	S	S	.	.			trans	47.2	71.4	156.9	-73.5	-9.9	0	0	0	117.9	N88	N83-N88 PolarHBondContact O-ND2 3.39Å
84	T	33.2	Very low	39.6	Very low	55 Å²	55	71.9 Å²	71.9	34%	0.337	39%	0.392	S	S	.	.			trans	-102.9	94.6	169.5	46.8	0	0	0	0	111.1
85	S	38.8	Very low	41.2	Very low	77 Å²	77	73.3 Å²	73.3	54%	0.538	40%	0.396	S	S	.	.	S	Bend	trans	-154.4	-15.3	158	52.7	0	0	0	0	116.3
86	S	34.2	Very low	42.7	Very low	69 Å²	69	71.4 Å²	71.4	48%	0.483	39%	0.386	S	S	.	.	S	Bend	trans	-162.5	-37	170	52.4	0	0	0	0	113.1	N88 V89 E90	S86-N88 VanDerWaalsContact C-N 3.35Å; S86-N88 PolarHBondContact O-N 3.14Å; S86-V89 PolarHBondContact O-N 3.46Å; S86-E90 PolarHBondContact O-N 3.31Å
87	T	42.7	Very low	44.1	Very low	74 Å²	74	71.4 Å²	71.4	45%	0.454	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-32.2	-174.7	49.7	0	0	0	0	114.6	Y91	T87-Y91 VanDerWaalsContact O-CB 3.24Å; T87-Y91 WeakPolarHBondContact O-CB 3.47Å; T87-Y91 PolarHBondContact O-N 3.49Å
88	N	51.2	Low	45.9	Very low	70 Å²	70	72.9 Å²	72.9	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-76.5	-26.7	-179.4	-71.5	-5.8	0	0	0	112.6	N83 S86 C92	N83-N88 PolarHBondContact O-ND2 3.39Å; S86-N88 VanDerWaalsContact C-N 3.35Å; S86-N88 PolarHBondContact O-N 3.14Å; N88-C92 WeakPolarHBondContact O-CB 3.49Å; N88-C92 PolarHBondContact O-N 3.45Å
89	V	50.5	Low	47.3	Very low	31 Å²	31	71.4 Å²	71.4	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-68.9	-50.9	175.5	177.4	0	0	0	0	109.6	S86 Y91 C92 I93 F106 M116	S86-V89 PolarHBondContact O-N 3.46Å; V89-Y91 VanDerWaalsContact C-N 3.3Å; V89-Y91 PolarHBondContact O-N 3.21Å; V89-C92 PolarHBondContact O-N 2.77Å; V89-I93 HydrophobicContact CG1-CD1 3.6Å; V89-I93 HydrophobicContact CG1-CG1 4.32Å; V89-I93 WeakPolarHBondContact O-CB 3.11Å; V89-I93 VanDerWaalsContact O-CG1 3.22Å; V89-I93 WeakPolarHBondContact O-CG1 3.26Å; V89-I93 PolarHBondContact O-N 3.19Å; V89-F106 HydrophobicContact CB-CE2 4.49Å; V89-F106 HydrophobicContact CG2-CE2 3.38Å; V89-F106 HydrophobicContact CG2-CZ 3.55Å; V89-M116 HydrophobicContact CG1-CE 3.85Å; V89-M116 HydrophobicContact CG2-CE 4.41Å
90	E	51	Low	48.5	Very low	131 Å²	131	74.9 Å²	74.9	61%	0.612	40%	0.397	S	S	*	.	H	α-helix	trans	-62.8	-38.2	177.1	-68.8	179.6	172.6	0	0	111.8	S86 S94	S86-E90 PolarHBondContact O-N 3.31Å; E90-S94 VanDerWaalsContact O-CB 3.27Å; E90-S94 WeakPolarHBondContact O-CB 3.3Å; E90-S94 PolarHBondContact O-N 3.35Å; E90-S94 PolarHBondContact O-OG 2.86Å; E90-S94 VanDerWaalsContact O-OG 3.06Å
91	Y	54.3	Low	49.7	Very low	78 Å²	78	76.4 Å²	76.4	31%	0.306	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-47.1	174.4	-175.2	-104.4	0	0	0	112	K56 T87 V89 S94 M95	K56-Y91 HydrophobicContact CB-CE1 4.06Å; T87-Y91 VanDerWaalsContact O-CB 3.24Å; T87-Y91 WeakPolarHBondContact O-CB 3.47Å; T87-Y91 PolarHBondContact O-N 3.49Å; V89-Y91 VanDerWaalsContact C-N 3.3Å; V89-Y91 PolarHBondContact O-N 3.21Å; Y91-S94 WeakPolarHBondContact CA-OG 3.35Å; Y91-S94 PolarHBondContact O-N 3.42Å; Y91-S94 PolarHBondContact O-OG 2.91Å; Y91-M95 HydrophobicContact CE1-CG 4.19Å; Y91-M95 WeakPolarHBondContact O-CB 3.28Å; Y91-M95 PolarHBondContact O-N 2.82Å
92	C	56.1	Low	51.1	Low	9 Å²	9	68 Å²	68	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-45.8	176.3	173.5	0	0	0	0	111.4	N88 V89 M95 L96 C104	N88-C92 WeakPolarHBondContact O-CB 3.49Å; N88-C92 PolarHBondContact O-N 3.45Å; V89-C92 PolarHBondContact O-N 2.77Å; C92-M95 PolarHBondContact O-N 3.02Å; C92-L96 WeakPolarHBondContact O-CB 2.84Å; C92-L96 WeakPolarHBondContact O-CD1 3.19Å; C92-L96 WeakPolarHBondContact O-CG 3.42Å; C92-L96 PolarHBondContact O-N 3.05Å; C92-C104 HydrophobicContact CB-CB 4.29Å; C92-C104 WeakPolarHBondContact CB-SG 3.3Å; C92-C104 WeakPolarHBondContact SG-CB 3.26Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 3.5Å
93	I	59.1	Low	52.5	Low	30 Å²	30	61.7 Å²	61.7	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-44.6	175.7	-72	171.5	0	0	0	111.1	V89 M95 L96 S97 L386 F388	V89-I93 HydrophobicContact CG1-CD1 3.6Å; V89-I93 HydrophobicContact CG1-CG1 4.32Å; V89-I93 WeakPolarHBondContact O-CB 3.11Å; V89-I93 VanDerWaalsContact O-CG1 3.22Å; V89-I93 WeakPolarHBondContact O-CG1 3.26Å; V89-I93 PolarHBondContact O-N 3.19Å; I93-M95 PolarHBondContact O-N 3.45Å; I93-L96 PolarHBondContact O-N 3.3Å; I93-S97 WeakPolarHBondContact O-CB 3.33Å; I93-S97 PolarHBondContact O-N 3.49Å; I93-L386 HydrophobicContact CG1-CD2 4.37Å; I93-F388 HydrophobicContact CG2-CZ 4.2Å
94	S	57.4	Low	54.1	Low	54 Å²	54	58.4 Å²	58.4	38%	0.378	32%	0.323	S	S	.	.	H	α-helix	trans	-65.5	-38.2	178.4	65.8	0	0	0	0	112.3	E90 Y91 S97 T98	E90-S94 VanDerWaalsContact O-CB 3.27Å; E90-S94 WeakPolarHBondContact O-CB 3.3Å; E90-S94 PolarHBondContact O-N 3.35Å; E90-S94 PolarHBondContact O-OG 2.86Å; E90-S94 VanDerWaalsContact O-OG 3.06Å; Y91-S94 WeakPolarHBondContact CA-OG 3.35Å; Y91-S94 PolarHBondContact O-N 3.42Å; Y91-S94 PolarHBondContact O-OG 2.91Å; S94-S97 WeakPolarHBondContact O-CB 3.42Å; S94-S97 PolarHBondContact O-N 3.18Å; S94-S97 PolarHBondContact O-OG 2.84Å; S94-T98 PolarHBondContact O-N 3.32Å
95	M	61.4	Low	55.6	Low	62 Å²	62	58.7 Å²	58.7	31%	0.305	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-41.1	173.2	-95.1	-66.7	-149.8	0	0	113	L59 Y91 C92 I93 S97 T98 N99	L59-M95 HydrophobicContact CD1-CB 3.86Å; L59-M95 HydrophobicContact CD1-CE 3.9Å; L59-M95 HydrophobicContact CD1-CG 3.85Å; L59-M95 HydrophobicContact CD1-SD 3.65Å; Y91-M95 HydrophobicContact CE1-CG 4.19Å; Y91-M95 WeakPolarHBondContact O-CB 3.28Å; Y91-M95 PolarHBondContact O-N 2.82Å; C92-M95 PolarHBondContact O-N 3.02Å; I93-M95 PolarHBondContact O-N 3.45Å; M95-S97 PolarHBondContact O-N 2.02Å; M95-T98 PolarHBondContact O-N 2.76Å; M95-T98 PolarHBondContact O-OG1 3.35Å; M95-N99 PolarHBondContact O-N 3.5Å
96	L	62.1	Low	56.8	Low	1 Å²	1	56.2 Å²	56.2	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-66.3	-28.5	175.5	-73.9	165.8	0	0	0	111.8	C92 I93 T98 N99 S102 C104 L386 F388	C92-L96 WeakPolarHBondContact O-CB 2.84Å; C92-L96 WeakPolarHBondContact O-CD1 3.19Å; C92-L96 WeakPolarHBondContact O-CG 3.42Å; C92-L96 PolarHBondContact O-N 3.05Å; I93-L96 PolarHBondContact O-N 3.3Å; L96-T98 VanDerWaalsContact C-N 3.34Å; L96-N99 CarbonylContact O-C 3.31Å; L96-N99 VanDerWaalsContact O-C 3.31Å; L96-S102 WeakPolarHBondContact CD2-O 3.43Å; L96-S102 WeakPolarHBondContact CD2-OG 3.34Å; L96-C104 HydrophobicContact CD1-CB 3.89Å; L96-C104 HydrophobicContact CD2-CB 4.35Å; L96-C104 HydrophobicContact CG-CB 4.22Å; L96-L386 HydrophobicContact CD1-CB 4.17Å; L96-L386 HydrophobicContact CD1-CD2 3.24Å; L96-L386 HydrophobicContact CD1-CG 4.26Å; L96-F388 HydrophobicContact CB-CD2 3.56Å; L96-F388 HydrophobicContact CB-CE2 3.42Å; L96-F388 VanDerWaalsContact CB-CE2 3.42Å
97	S	59.9	Low	58.1	Low	53 Å²	53	55.2 Å²	55.2	37%	0.371	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-32.1	175.7	83.5	0	0	0	0	112.7	I93 S94 M95	I93-S97 WeakPolarHBondContact O-CB 3.33Å; I93-S97 PolarHBondContact O-N 3.49Å; S94-S97 WeakPolarHBondContact O-CB 3.42Å; S94-S97 PolarHBondContact O-N 3.18Å; S94-S97 PolarHBondContact O-OG 2.84Å; M95-S97 PolarHBondContact O-N 2.02Å
98	T	62	Low	58.9	Low	111 Å²	111	52.6 Å²	52.6	68%	0.681	27%	0.272	S	S	*	.	H	α-helix	trans	-83.6	-34.8	177.4	53.3	0	0	0	0	112.1	S94 M95 L96	S94-T98 PolarHBondContact O-N 3.32Å; M95-T98 PolarHBondContact O-N 2.76Å; M95-T98 PolarHBondContact O-OG1 3.35Å; L96-T98 VanDerWaalsContact C-N 3.34Å
99	N	62	Low	59.3	Low	44 Å²	44	50.4 Å²	50.4	24%	0.235	26%	0.262	C	S	.	.			trans	-124.7	94.4	175.8	-170	-6.3	0	0	0	111.5	M95 L96 Q101 S102	M95-N99 PolarHBondContact O-N 3.5Å; L96-N99 CarbonylContact O-C 3.31Å; L96-N99 VanDerWaalsContact O-C 3.31Å; N99-Q101 PolarHBondContact O-N 2.81Å; N99-Q101 PolarHBondContact OD1-N 2.86Å; N99-S102 PolarHBondContact O-N 3.37Å; N99-S102 PolarHBondContact O-OG 3.29Å
100	K	57.2	Low	59.6	Low	154 Å²	154	52.8 Å²	52.8	67%	0.67	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.4	-178.7	-65.3	-172.5	179.3	-176.3	0	114.3	S389	K100-S389 VanDerWaalsContact O-CB 3.27Å; K100-S389 WeakPolarHBondContact O-CB 3.33Å
101	Q	56.3	Low	59.6	Low	97 Å²	97	50.4 Å²	50.4	45%	0.453	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-9.5	-179.8	-69.7	172	-35.3	0	0	113.2	N99	N99-Q101 PolarHBondContact O-N 2.81Å; N99-Q101 PolarHBondContact OD1-N 2.86Å
102	S	61.1	Low	59.7	Low	1 Å²	1	48 Å²	48	1%	0.007	26%	0.264	C	S	.	.			trans	-72.6	148.8	178.3	62.2	0	0	0	0	111.5	L96 N99	L96-S102 WeakPolarHBondContact CD2-O 3.43Å; L96-S102 WeakPolarHBondContact CD2-OG 3.34Å; N99-S102 PolarHBondContact O-N 3.37Å; N99-S102 PolarHBondContact O-OG 3.29Å
103	L	61.6	Low	59.9	Low	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.8	169	-67.5	-178.2	0	0	0	108.7	L62 F385 T387 M396	L62-L103 HydrophobicContact CD1-CD1 3.49Å; L62-L103 VanDerWaalsContact CD1-CD1 3.49Å; L62-L103 HydrophobicContact CD1-CD2 4.46Å; L62-L103 HydrophobicContact CD1-CG 3.65Å; L62-L103 HydrophobicContact CD2-CD1 4.44Å; L62-L103 HydrophobicContact CG-CD1 4.09Å; L62-L103 HydrophobicContact CG-CG 4.41Å; L103-F385 HydrophobicContact CB-CB 4.48Å; L103-F385 HydrophobicContact CB-CD1 4.07Å; L103-F385 HydrophobicContact CD1-CD1 4.42Å; L103-F385 HydrophobicContact CD2-CB 4.47Å; L103-T387 HydrophobicContact CD2-CG2 4.18Å; L103-M396 HydrophobicContact CD1-CB 4.24Å; L103-M396 HydrophobicContact CD1-CE 3.53Å; L103-M396 HydrophobicContact CD1-CG 3.99Å; L103-M396 HydrophobicContact CD1-SD 4.04Å
104	C	63	Low	59.8	Low	24 Å²	24	54.1 Å²	54.1	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.8	176	-179.7	0	0	0	0	109.4	C92 L96 F106 F385 L386	C92-C104 HydrophobicContact CB-CB 4.29Å; C92-C104 WeakPolarHBondContact CB-SG 3.3Å; C92-C104 WeakPolarHBondContact SG-CB 3.26Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 3.5Å; L96-C104 HydrophobicContact CD1-CB 3.89Å; L96-C104 HydrophobicContact CD2-CB 4.35Å; L96-C104 HydrophobicContact CG-CB 4.22Å; C104-F106 PolarHBondContact O-N 3.14Å; C104-F385 CarbonylContact O-C 3.43Å; C104-F385 VanDerWaalsContact O-CA 3.28Å; C104-F385 WeakPolarHBondContact O-CA 3.23Å; C104-L386 PolarHBondContact N-O 2.95Å; C104-L386 PolarHBondContact O-N 2.93Å
105	L	65.7	Low	59.8	Low	62 Å²	62	56.1 Å²	56.1	33%	0.325	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.1	174.3	-177.6	70.4	0	0	0	109.2	I78 F385	I78-L105 HydrophobicContact CD1-CD2 4.35Å; L105-F385 HydrophobicContact CB-CD1 4.2Å; L105-F385 HydrophobicContact CB-CE1 4Å; L105-F385 HydrophobicContact CD1-CD1 4.19Å; L105-F385 HydrophobicContact CD1-CE1 3.78Å; L105-F385 HydrophobicContact CD1-CE2 4.11Å; L105-F385 HydrophobicContact CD1-CZ 3.73Å; L105-F385 HydrophobicContact CG-CE1 4.47Å
106	F	63	Low	59.7	Low	25 Å²	25	53.8 Å²	53.8	11%	0.11	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.3	-169.5	-171.5	-105	0	0	0	112.2	V89 C104 F108 I112 M116 M383 G384	V89-F106 HydrophobicContact CB-CE2 4.49Å; V89-F106 HydrophobicContact CG2-CE2 3.38Å; V89-F106 HydrophobicContact CG2-CZ 3.55Å; C104-F106 PolarHBondContact O-N 3.14Å; F106-F108 HydrophobicContact CD1-CB 3.92Å; F106-F108 HydrophobicContact CE1-CB 3.81Å; F106-I112 HydrophobicContact CE1-CG2 3.49Å; F106-I112 VanDerWaalsContact CE1-CG2 3.49Å; F106-I112 HydrophobicContact CZ-CD1 4.39Å; F106-I112 HydrophobicContact CZ-CG2 3.47Å; F106-I112 VanDerWaalsContact CZ-CG2 3.47Å; F106-M116 HydrophobicContact CD1-CE 3.84Å; F106-M116 HydrophobicContact CE1-CE 3.24Å; F106-M116 HydrophobicContact CE2-CE 4.2Å; F106-M116 HydrophobicContact CG-CE 4.49Å; F106-M116 HydrophobicContact CZ-CE 3.47Å; F106-M116 VanDerWaalsContact CZ-CE 3.47Å; F106-M383 CarbonylContact O-C 3.52Å; F106-M383 WeakPolarHBondContact O-CA 3.37Å; F106-G384 PolarHBondContact N-O 3.11Å; F106-G384 PolarHBondContact O-N 3.17Å
107	Q	62.8	Low	59.5	Low	47 Å²	47	59.2 Å²	59.2	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.1	171	179.5	-173.5	10.7	0	0	108.9	L143 M381 E382 M383	Q107-L143 HydrophobicContact CG-CD1 4Å; Q107-M381 HydrophobicContact CG-CB 4.37Å; Q107-M381 VanDerWaalsContact NE2-CE 3.33Å; Q107-M381 PolarHBondContact NE2-SD 3.31Å; Q107-E382 CarbonylContact C-O 3.53Å; Q107-E382 WeakPolarHBondContact CA-O 3.2Å; Q107-M383 HydrophobicContact CB-CG 4.46Å
108	F	59.8	Low	59.2	Low	19 Å²	19	61.9 Å²	61.9	8%	0.083	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.3	178.6	58.6	-87.9	0	0	0	111.4	F106 L113 I136 E382	F106-F108 HydrophobicContact CD1-CB 3.92Å; F106-F108 HydrophobicContact CE1-CB 3.81Å; F108-L113 HydrophobicContact CB-CD2 4.35Å; F108-L113 HydrophobicContact CB-CG 4.3Å; F108-L113 HydrophobicContact CD2-CD1 3.88Å; F108-L113 HydrophobicContact CD2-CD2 4.39Å; F108-L113 HydrophobicContact CD2-CG 4.31Å; F108-I136 HydrophobicContact CD1-CG2 4.2Å; F108-I136 HydrophobicContact CE1-CG2 3.99Å; F108-I136 HydrophobicContact CZ-CG2 4.32Å; F108-E382 HydrophobicContact CD1-CB 4.44Å; F108-E382 HydrophobicContact CD2-CB 3.99Å; F108-E382 HydrophobicContact CE1-CB 3.94Å; F108-E382 HydrophobicContact CE2-CB 3.46Å; F108-E382 VanDerWaalsContact CE2-CB 3.46Å; F108-E382 HydrophobicContact CE2-CG 4.17Å; F108-E382 VanDerWaalsContact CE2-OE2 3.31Å; F108-E382 WeakPolarHBondContact CE2-OE2 3.43Å; F108-E382 HydrophobicContact CG-CB 4.46Å; F108-E382 HydrophobicContact CZ-CB 3.44Å; F108-E382 VanDerWaalsContact CZ-CB 3.44Å; F108-E382 HydrophobicContact CZ-CG 4.42Å; F108-E382 WeakPolarHBondContact CZ-OE2 3.3Å; F108-E382 PolarHBondContact N-O 3.35Å; F108-E382 PolarHBondContact O-N 2.98Å
109	S	59.2	Low	58.7	Low	24 Å²	24	58.8 Å²	58.8	17%	0.168	31%	0.307	C	S	.	.			trans	-116.6	164.2	163	67.3	0	0	0	0	108.3	D111 I112 L113	S109-D111 PolarHBondContact O-N 2.83Å; S109-I112 PolarHBondContact O-N 3.48Å; S109-I112 VanDerWaalsContact O-N 3.07Å; S109-I112 WeakPolarHBondContact OG-CG1 3.48Å; S109-I112 PolarHBondContact OG-N 3.42Å; S109-L113 WeakPolarHBondContact O-CG 3.38Å; S109-L113 PolarHBondContact O-N 2.91Å
110	S	56.2	Low	58.2	Low	81 Å²	81	58.2 Å²	58.2	57%	0.566	31%	0.306	S	S	*	.	H	α-helix	trans	-47.9	-44.3	173.5	51.2	0	0	0	0	112	I112 L113 M114	S110-I112 VanDerWaalsContact C-N 3.34Å; S110-I112 PolarHBondContact O-N 3.02Å; S110-L113 WeakPolarHBondContact O-CB 3.22Å; S110-L113 PolarHBondContact O-N 3.17Å; S110-M114 WeakPolarHBondContact O-CG 3.31Å; S110-M114 PolarHBondContact O-N 3.43Å
111	D	50.9	Low	57.6	Low	82 Å²	82	55.7 Å²	55.7	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-68.1	-36.5	-176.7	-54.3	-17.9	0	0	0	112.2	S109 M114 N115	S109-D111 PolarHBondContact O-N 2.83Å; D111-M114 PolarHBondContact O-N 3.14Å; D111-N115 WeakPolarHBondContact O-CB 3.44Å; D111-N115 VanDerWaalsContact O-CG 3.27Å; D111-N115 PolarHBondContact O-N 3.33Å; D111-N115 PolarHBondContact O-ND2 3.29Å
112	I	57.7	Low	57.1	Low	28 Å²	28	53.5 Å²	53.5	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-39.7	176.6	-68.3	171.7	0	0	0	110.2	F106 S109 S110 N115 M116	F106-I112 HydrophobicContact CE1-CG2 3.49Å; F106-I112 VanDerWaalsContact CE1-CG2 3.49Å; F106-I112 HydrophobicContact CZ-CD1 4.39Å; F106-I112 HydrophobicContact CZ-CG2 3.47Å; F106-I112 VanDerWaalsContact CZ-CG2 3.47Å; S109-I112 PolarHBondContact O-N 3.48Å; S109-I112 VanDerWaalsContact O-N 3.07Å; S109-I112 WeakPolarHBondContact OG-CG1 3.48Å; S109-I112 PolarHBondContact OG-N 3.42Å; S110-I112 VanDerWaalsContact C-N 3.34Å; S110-I112 PolarHBondContact O-N 3.02Å; I112-N115 PolarHBondContact O-N 2.98Å; I112-M116 HydrophobicContact CG2-CE 3.84Å; I112-M116 WeakPolarHBondContact O-CG 3.43Å; I112-M116 PolarHBondContact O-N 3.14Å
113	L	60	Low	56.1	Low	62 Å²	62	61 Å²	61	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-46.6	175.7	-69.1	165	0	0	0	111.1	F108 S109 S110 N115 M116 E117 I136	F108-L113 HydrophobicContact CB-CD2 4.35Å; F108-L113 HydrophobicContact CB-CG 4.3Å; F108-L113 HydrophobicContact CD2-CD1 3.88Å; F108-L113 HydrophobicContact CD2-CD2 4.39Å; F108-L113 HydrophobicContact CD2-CG 4.31Å; S109-L113 WeakPolarHBondContact O-CG 3.38Å; S109-L113 PolarHBondContact O-N 2.91Å; S110-L113 WeakPolarHBondContact O-CB 3.22Å; S110-L113 PolarHBondContact O-N 3.17Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.4Å; L113-M116 WeakPolarHBondContact O-CB 3.44Å; L113-M116 PolarHBondContact O-N 3.07Å; L113-E117 PolarHBondContact O-N 3.49Å; L113-E117 VanDerWaalsContact O-N 3.07Å; L113-I136 HydrophobicContact CD2-CD1 3.09Å
114	M	56.4	Low	55.3	Low	105 Å²	105	64 Å²	64	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-38.1	175.6	-65.2	-60.5	-64.6	0	0	111.9	S110 D111 E117 N118	S110-M114 WeakPolarHBondContact O-CG 3.31Å; S110-M114 PolarHBondContact O-N 3.43Å; D111-M114 PolarHBondContact O-N 3.14Å; M114-E117 PolarHBondContact O-N 3.45Å; M114-N118 PolarHBondContact O-N 3.03Å; M114-N118 VanDerWaalsContact O-N 3.14Å; M114-N118 PolarHBondContact O-ND2 3.41Å
115	N	57.5	Low	54	Low	95 Å²	95	70 Å²	70	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-69.6	-33.8	175.7	-76.3	-18.2	0	0	0	112.7	D111 I112 L113 N118 S119	D111-N115 WeakPolarHBondContact O-CB 3.44Å; D111-N115 VanDerWaalsContact O-CG 3.27Å; D111-N115 PolarHBondContact O-N 3.33Å; D111-N115 PolarHBondContact O-ND2 3.29Å; I112-N115 PolarHBondContact O-N 2.98Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.4Å; N115-N118 PolarHBondContact O-N 3.47Å; N115-S119 WeakPolarHBondContact O-CB 3.32Å; N115-S119 PolarHBondContact O-N 2.9Å; N115-S119 PolarHBondContact O-OG 2.69Å
116	M	58.6	Low	52.9	Low	14 Å²	14	74.6 Å²	74.6	7%	0.069	40%	0.396	C	S	.	.	H	α-helix	trans	-65.6	-39.7	173.4	-74.7	-176.5	-175.7	0	0	111.7	V89 F106 I112 L113 N118 S119 S120 I136 L386	V89-M116 HydrophobicContact CG1-CE 3.85Å; V89-M116 HydrophobicContact CG2-CE 4.41Å; F106-M116 HydrophobicContact CD1-CE 3.84Å; F106-M116 HydrophobicContact CE1-CE 3.24Å; F106-M116 HydrophobicContact CE2-CE 4.2Å; F106-M116 HydrophobicContact CG-CE 4.49Å; F106-M116 HydrophobicContact CZ-CE 3.47Å; F106-M116 VanDerWaalsContact CZ-CE 3.47Å; I112-M116 HydrophobicContact CG2-CE 3.84Å; I112-M116 WeakPolarHBondContact O-CG 3.43Å; I112-M116 PolarHBondContact O-N 3.14Å; L113-M116 WeakPolarHBondContact O-CB 3.44Å; L113-M116 PolarHBondContact O-N 3.07Å; M116-N118 VanDerWaalsContact C-N 3.34Å; M116-N118 PolarHBondContact O-N 2.83Å; M116-S119 WeakPolarHBondContact CA-OG 3.42Å; M116-S119 PolarHBondContact O-N 3.42Å; M116-S119 PolarHBondContact O-OG 3.36Å; M116-S120 PolarHBondContact O-N 3.21Å; M116-I136 HydrophobicContact SD-CD1 4.4Å; M116-L386 HydrophobicContact CE-CD1 3.71Å; M116-L386 HydrophobicContact SD-CD1 3.71Å
117	E	59.1	Low	51.9	Low	115 Å²	115	81 Å²	81	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-44	175.6	-165.6	173.3	-172.7	0	0	111.1	L113 M114 S120	L113-E117 PolarHBondContact O-N 3.49Å; L113-E117 VanDerWaalsContact O-N 3.07Å; M114-E117 PolarHBondContact O-N 3.45Å; E117-S120 PolarHBondContact O-OG 3.43Å
118	N	54.3	Low	51.1	Low	109 Å²	109	84.1 Å²	84.1	58%	0.583	44%	0.438	S	S	*	.	H	α-helix	trans	-74.4	-34.4	178.5	-69.8	-27.8	0	0	0	114	M114 N115 M116 S120 L121	M114-N118 PolarHBondContact O-N 3.03Å; M114-N118 VanDerWaalsContact O-N 3.14Å; M114-N118 PolarHBondContact O-ND2 3.41Å; N115-N118 PolarHBondContact O-N 3.47Å; M116-N118 VanDerWaalsContact C-N 3.34Å; M116-N118 PolarHBondContact O-N 2.83Å; N118-S120 VanDerWaalsContact C-N 3.3Å; N118-S120 PolarHBondContact O-N 3.15Å; N118-L121 PolarHBondContact O-N 3.3Å
119	S	51.6	Low	50.6	Low	45 Å²	45	86.1 Å²	86.1	32%	0.315	45%	0.449	S	S	.	.	H	α-helix	trans	-81.2	-6.2	-178.3	57.5	0	0	0	0	114.4	N115 M116 L121 T122	N115-S119 WeakPolarHBondContact O-CB 3.32Å; N115-S119 PolarHBondContact O-N 2.9Å; N115-S119 PolarHBondContact O-OG 2.69Å; M116-S119 WeakPolarHBondContact CA-OG 3.42Å; M116-S119 PolarHBondContact O-N 3.42Å; M116-S119 PolarHBondContact O-OG 3.36Å; S119-L121 CarbonylContact O-C 3.6Å; S119-L121 PolarHBondContact O-N 3.25Å; S119-T122 WeakPolarHBondContact O-CG2 3.5Å; S119-T122 PolarHBondContact O-N 2.92Å; S119-T122 VanDerWaalsContact O-N 3.15Å; S119-T122 PolarHBondContact O-OG1 2.87Å
120	S	50.3	Low	50.3	Low	32 Å²	32	90.4 Å²	90.4	22%	0.224	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-16.5	163.7	69.9	0	0	0	0	112.8	M116 E117 N118	M116-S120 PolarHBondContact O-N 3.21Å; E117-S120 PolarHBondContact O-OG 3.43Å; N118-S120 VanDerWaalsContact C-N 3.3Å; N118-S120 PolarHBondContact O-N 3.15Å
121	L	44.6	Very low	50.3	Low	102 Å²	102	89.8 Å²	89.8	53%	0.534	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	66.7	164.2	-79.3	124.1	0	0	0	111.8	N118 S119	N118-L121 PolarHBondContact O-N 3.3Å; S119-L121 CarbonylContact O-C 3.6Å; S119-L121 PolarHBondContact O-N 3.25Å
122	T	45.8	Very low	50.7	Low	50 Å²	50	89.9 Å²	89.9	31%	0.307	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.4	171.8	24.9	0	0	0	0	110.9	S119 V124	S119-T122 WeakPolarHBondContact O-CG2 3.5Å; S119-T122 PolarHBondContact O-N 2.92Å; S119-T122 VanDerWaalsContact O-N 3.15Å; S119-T122 PolarHBondContact O-OG1 2.87Å; T122-V124 PolarHBondContact O-N 3.46Å
123	Y	40	Very low	51	Low	158 Å²	158	93.5 Å²	93.5	62%	0.62	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	105.2	170.5	-76	-90.5	0	0	0	109.2
124	V	44.7	Very low	51.3	Low	65 Å²	65	91.6 Å²	91.6	39%	0.394	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.9	167.6	-176.8	0	0	0	0	107.4	T122 N126 K127 I129	T122-V124 PolarHBondContact O-N 3.46Å; V124-N126 PolarHBondContact O-N 3.07Å; V124-K127 PolarHBondContact N-O 3.49Å; V124-K127 PolarHBondContact O-N 2.88Å; V124-I129 HydrophobicContact CB-CD1 3.93Å; V124-I129 HydrophobicContact CG2-CD1 4.43Å
125	N	35.4	Very low	51.9	Low	150 Å²	150	91.5 Å²	91.5	80%	0.802	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	47.9	179.4	-65.6	-23	0	0	0	114.9	K127	N125-K127 PolarHBondContact O-N 3.06Å
126	N	43.5	Very low	52.5	Low	159 Å²	159	89.4 Å²	89.4	85%	0.85	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	11.8	-178.8	-72.8	-11.2	0	0	0	115.2	V124	V124-N126 PolarHBondContact O-N 3.07Å
127	K	40.9	Very low	53	Low	158 Å²	158	89 Å²	89	69%	0.687	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.6	168.3	-74.7	-176.6	177.5	179.4	0	107.5	V124 N125 I129	V124-K127 PolarHBondContact N-O 3.49Å; V124-K127 PolarHBondContact O-N 2.88Å; N125-K127 PolarHBondContact O-N 3.06Å; K127-I129 PolarHBondContact O-N 3.28Å
128	Q	46.3	Very low	53.4	Low	114 Å²	114	89.4 Å²	89.4	53%	0.533	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	104.8	169.8	-172.3	176.2	-4	0	0	107.4	N130	Q128-N130 WeakPolarHBondContact CG-OD1 3.42Å; Q128-N130 PolarHBondContact NE2-OD1 3.42Å
129	I	50.7	Low	54.1	Low	61 Å²	61	86.2 Å²	86.2	31%	0.313	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	100.7	171.5	-55.8	-179.8	0	0	0	105.8	V124 K127 Y131	V124-I129 HydrophobicContact CB-CD1 3.93Å; V124-I129 HydrophobicContact CG2-CD1 4.43Å; K127-I129 PolarHBondContact O-N 3.28Å; I129-Y131 VanDerWaalsContact C-N 3.34Å; I129-Y131 HydrophobicContact CB-CD2 4.46Å; I129-Y131 HydrophobicContact CB-CE2 3.97Å; I129-Y131 HydrophobicContact CG2-CD1 4.08Å; I129-Y131 HydrophobicContact CG2-CD2 4.04Å; I129-Y131 HydrophobicContact CG2-CE1 3.71Å; I129-Y131 HydrophobicContact CG2-CE2 3.68Å; I129-Y131 HydrophobicContact CG2-CG 4.23Å; I129-Y131 PolarHBondContact O-N 2.79Å
130	N	51.8	Low	54.8	Low	114 Å²	114	84.9 Å²	84.9	61%	0.61	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	95.4	168.7	-74.6	-3	0	0	0	107.4	Q128	Q128-N130 WeakPolarHBondContact CG-OD1 3.42Å; Q128-N130 PolarHBondContact NE2-OD1 3.42Å
131	Y	55.6	Low	55.5	Low	68 Å²	68	83.7 Å²	83.7	27%	0.267	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-68.6	135.6	165.4	-65.6	-75.6	0	0	0	108.2	I129 L133	I129-Y131 VanDerWaalsContact C-N 3.34Å; I129-Y131 HydrophobicContact CB-CD2 4.46Å; I129-Y131 HydrophobicContact CB-CE2 3.97Å; I129-Y131 HydrophobicContact CG2-CD1 4.08Å; I129-Y131 HydrophobicContact CG2-CD2 4.04Å; I129-Y131 HydrophobicContact CG2-CE1 3.71Å; I129-Y131 HydrophobicContact CG2-CE2 3.68Å; I129-Y131 HydrophobicContact CG2-CG 4.23Å; I129-Y131 PolarHBondContact O-N 2.79Å; Y131-L133 PolarHBondContact O-N 3.18Å
132	P	59.6	Low	56.5	Low	83 Å²	83	81.8 Å²	81.8	54%	0.539	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-57.1	141.6	170	25.3	-31.7	0	0	0	108.5	F388	P132-F388 HydrophobicContact CG-CD1 3.87Å; P132-F388 HydrophobicContact CG-CE1 4.28Å; P132-F388 HydrophobicContact CG-CG 4.38Å; P132-F388 WeakPolarHBondContact O-CE1 3.4Å
133	L	64.9	Low	57.5	Low	105 Å²	105	79.5 Å²	79.5	55%	0.55	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-57.7	124.6	177.3	-149.8	91	0	0	0	108.3	Y131	Y131-L133 PolarHBondContact O-N 3.18Å
134	P	66.8	Low	58.9	Low	22 Å²	22	72.2 Å²	72.2	14%	0.143	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-65.6	141.2	178.9	24.7	-31.6	0	0	0	110.6	L386 F388	P134-L386 HydrophobicContact CB-CD1 4.01Å; P134-L386 HydrophobicContact CB-CD2 3.46Å; P134-L386 VanDerWaalsContact CB-CD2 3.46Å; P134-L386 HydrophobicContact CB-CG 3.71Å; P134-L386 HydrophobicContact CG-CD1 4.21Å; P134-L386 HydrophobicContact CG-CD2 4.17Å; P134-L386 HydrophobicContact CG-CG 4.43Å; P134-F388 HydrophobicContact CB-CD1 4.11Å; P134-F388 HydrophobicContact CB-CE1 3.63Å; P134-F388 HydrophobicContact CB-CZ 4.33Å; P134-F388 HydrophobicContact CG-CE1 4.31Å
135	Y	69.2	Low	60	Low	102 Å²	102	69.2 Å²	69.2	40%	0.4	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.9	168.9	-57.5	-69.6	0	0	0	110.2	T387 E390 L393	Y135-T387 WeakPolarHBondContact CA-O 3.35Å; Y135-T387 WeakPolarHBondContact CB-O 3.39Å; Y135-T387 PolarHBondContact N-O 2.92Å; Y135-T387 PolarHBondContact O-N 3.35Å; Y135-E390 HydrophobicContact CE2-CB 4.29Å; Y135-L393 HydrophobicContact CD1-CD2 4.06Å; Y135-L393 HydrophobicContact CG-CD2 3.9Å
136	I	70	Confident	61.7	Low	52 Å²	52	62.5 Å²	62.5	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.2	179.3	-59	176.1	0	0	0	107.4	F108 L113 M116 L386 L393	F108-I136 HydrophobicContact CD1-CG2 4.2Å; F108-I136 HydrophobicContact CE1-CG2 3.99Å; F108-I136 HydrophobicContact CZ-CG2 4.32Å; L113-I136 HydrophobicContact CD2-CD1 3.09Å; M116-I136 HydrophobicContact SD-CD1 4.4Å; I136-L386 HydrophobicContact CG1-CD1 4.22Å; I136-L393 WeakPolarHBondContact O-CD1 3.47Å
137	T	67.9	Low	63	Low	5 Å²	5	55.2 Å²	55.2	3%	0.031	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-68.5	166.4	175.7	67.3	0	0	0	0	110.8	F385 L393 M396 N397	T137-F385 HydrophobicContact CG2-CB 3.76Å; T137-F385 PolarHBondContact N-O 3.05Å; T137-F385 PolarHBondContact OG1-N 3.34Å; T137-F385 PolarHBondContact OG1-O 2.85Å; T137-L393 HydrophobicContact CG2-CD1 3.94Å; T137-M396 HydrophobicContact CG2-CB 3.95Å; T137-M396 HydrophobicContact CG2-CG 3.8Å; T137-N397 WeakPolarHBondContact CA-OD1 3.46Å; T137-N397 WeakPolarHBondContact CB-OD1 3.24Å
138	R	68.3	Low	64.4	Low	124 Å²	124	47.7 Å²	47.7	47%	0.468	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-51.2	143.8	164	-168.3	174.6	-174.3	-166.4	-2.6	109.7	F140 N397 L400 Q404	R138-F140 PolarHBondContact O-N 3.01Å; R138-N397 PolarHBondContact N-OD1 2.84Å; R138-L400 WeakPolarHBondContact O-CD1 3.29Å; R138-Q404 VanDerWaalsContact CZ-OE1 3.26Å
139	S	69.1	Low	65.6	Low	41 Å²	41	42.3 Å²	42.3	29%	0.287	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-58.9	128.3	174.7	42.1	0	0	0	0	110.3	E382 M383	S139-E382 VanDerWaalsContact CB-OE2 3.32Å; S139-E382 WeakPolarHBondContact CB-OE2 3.36Å; S139-E382 PolarHBondContact OG-OE2 3.02Å; S139-E382 VanDerWaalsContact OG-OE2 3.14Å; S139-M383 CarbonylContact C-O 3.53Å; S139-M383 VanDerWaalsContact CA-O 3.3Å; S139-M383 WeakPolarHBondContact CA-O 3.28Å
140	F	66	Low	66.6	Low	18 Å²	18	40.7 Å²	40.7	8%	0.079	20%	0.201	C	C	.	.	S	Bend	trans	-79.4	-42.4	174.8	167.5	-102	0	0	0	110.5	I75 R138 M383 F385 L400 L409 F422	I75-F140 HydrophobicContact CD1-CZ 4.38Å; I75-F140 HydrophobicContact CG2-CE1 4.49Å; I75-F140 HydrophobicContact CG2-CZ 4.38Å; R138-F140 PolarHBondContact O-N 3.01Å; F140-M383 PolarHBondContact N-O 3.19Å; F140-F385 HydrophobicContact CB-CE2 4.48Å; F140-L400 HydrophobicContact CB-CD2 4.09Å; F140-L400 HydrophobicContact CD2-CD2 3.51Å; F140-L400 HydrophobicContact CE2-CD2 4.42Å; F140-L400 HydrophobicContact CG-CD2 4.26Å; F140-L409 HydrophobicContact CD2-CD1 3.87Å; F140-L409 HydrophobicContact CE2-CD1 3.15Å; F140-L409 HydrophobicContact CZ-CD1 3.61Å; F140-F422 HydrophobicContact CE1-CZ 4.29Å; F140-F422 HydrophobicContact CZ-CZ 4.22Å; F140-F422 WeakPolarHBondContact O-CE1 3.38Å
141	T	65.6	Low	67.2	Low	7 Å²	7	36.1 Å²	36.1	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.9	178.7	-164.8	0	0	0	0	111.9	L143 I335 M383 F422	T141-L143 HydrophobicContact CG2-CD2 4.35Å; T141-I335 HydrophobicContact CG2-CD1 4.13Å; T141-M383 HydrophobicContact CG2-CB 3.8Å; T141-M383 HydrophobicContact CG2-CG 4.06Å; T141-M383 HydrophobicContact CG2-SD 3.78Å; T141-M383 PolarHBondContact O-N 2.83Å; T141-F422 VanDerWaalsContact CB-CE1 3.49Å; T141-F422 VanDerWaalsContact OG1-CE1 3.28Å; T141-F422 WeakPolarHBondContact OG1-CE1 3.21Å
142	Q	65.7	Low	67.5	Low	62 Å²	62	35.9 Å²	35.9	29%	0.29	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124	171.5	-66.5	-176.1	-23.4	0	0	109	H334 M381 E382	Q142-H334 PolarHBondContact O-CE1 3.41Å; Q142-M381 CarbonylContact C-O 3.5Å; Q142-M381 WeakPolarHBondContact CA-O 2.99Å; Q142-E382 HydrophobicContact CG-CG 4.29Å; Q142-E382 PolarHBondContact NE2-OE1 3.48Å
143	L	66.8	Low	67.2	Low	2 Å²	2	40.9 Å²	40.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.3	175.4	-55.9	173	0	0	0	110.3	Q107 T141 D333 I335 M381 M383	Q107-L143 HydrophobicContact CG-CD1 4Å; T141-L143 HydrophobicContact CG2-CD2 4.35Å; L143-D333 HydrophobicContact CB-CB 4.05Å; L143-D333 HydrophobicContact CD2-CB 4.29Å; L143-I335 HydrophobicContact CD2-CD1 3.46Å; L143-I335 VanDerWaalsContact CD2-CD1 3.46Å; L143-I335 HydrophobicContact CD2-CG1 4.1Å; L143-M381 HydrophobicContact CB-CB 3.88Å; L143-M381 HydrophobicContact CD1-CB 4.33Å; L143-M381 PolarHBondContact N-O 3.29Å; L143-M381 PolarHBondContact O-N 2.9Å; L143-M383 HydrophobicContact CD1-CE 3.37Å; L143-M383 HydrophobicContact CD1-CG 3.76Å; L143-M383 HydrophobicContact CD1-SD 4.06Å; L143-M383 HydrophobicContact CD2-CE 3.72Å; L143-M383 HydrophobicContact CD2-CG 4.3Å; L143-M383 HydrophobicContact CD2-SD 3.87Å; L143-M383 HydrophobicContact CG-CE 3.97Å; L143-M383 HydrophobicContact CG-CG 3.92Å; L143-M383 HydrophobicContact CG-SD 4.14Å
144	K	67.6	Low	66.6	Low	4 Å²	4	42.5 Å²	42.5	2%	0.017	20%	0.199	C	C	.	.			trans	-110.6	121.5	-176.8	-50.7	-176.8	156.8	-160.2	0	108.7	V146 D333 H334 T423 M428 L432	K144-V146 PolarHBondContact O-N 3.35Å; K144-D333 CarbonylContact O-C 3.5Å; K144-D333 VanDerWaalsContact O-CA 3.27Å; K144-D333 WeakPolarHBondContact O-CA 3.29Å; K144-H334 HydrophobicContact CB-CB 4.16Å; K144-H334 PolarHBondContact N-ND1 2.99Å; K144-H334 VanDerWaalsContact N-ND1 3.18Å; K144-H334 PolarHBondContact O-N 3.27Å; K144-T423 WeakPolarHBondContact CE-O 3.44Å; K144-T423 VanDerWaalsContact CE-OG1 3.23Å; K144-T423 WeakPolarHBondContact CE-OG1 3.37Å; K144-T423 PolarHBondContact NZ-O 2.98Å; K144-T423 PolarHBondContact NZ-OG1 2.67Å; K144-M428 HydrophobicContact CB-CE 3.66Å; K144-M428 HydrophobicContact CB-SD 4.17Å; K144-M428 HydrophobicContact CD-CE 3.39Å; K144-M428 HydrophobicContact CD-CG 4.27Å; K144-M428 HydrophobicContact CD-SD 3.25Å; K144-M428 WeakPolarHBondContact CD-SD 3.42Å; K144-M428 WeakPolarHBondContact CE-SD 3.05Å; K144-M428 HydrophobicContact CG-CE 3.26Å; K144-M428 HydrophobicContact CG-SD 3.84Å; K144-M428 PolarHBondContact NZ-SD 2.99Å; K144-L432 HydrophobicContact CB-CD1 4.45Å; K144-L432 HydrophobicContact CD-CD1 4.37Å
145	P	69.5	Low	65.8	Low	3 Å²	3	45.1 Å²	45.1	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	131.1	173.1	-15.8	26	0	0	0	110.9	L296 L300 F304 L331 T332 M378 L432	P145-L296 HydrophobicContact CB-CD1 3.99Å; P145-L296 HydrophobicContact CG-CD1 4.46Å; P145-L300 HydrophobicContact CG-CD2 4.19Å; P145-F304 HydrophobicContact CB-CE2 4Å; P145-F304 HydrophobicContact CB-CZ 3.69Å; P145-F304 HydrophobicContact CG-CE2 3.95Å; P145-F304 HydrophobicContact CG-CZ 3.76Å; P145-L331 HydrophobicContact CB-CD1 4.09Å; P145-T332 CarbonylContact C-O 3.6Å; P145-T332 WeakPolarHBondContact CA-O 3.31Å; P145-M378 HydrophobicContact CB-CE 3.8Å; P145-M378 HydrophobicContact CB-SD 3.77Å; P145-M378 WeakPolarHBondContact CD-SD 3.22Å; P145-M378 HydrophobicContact CG-CE 4.08Å; P145-M378 HydrophobicContact CG-CG 3.89Å; P145-M378 HydrophobicContact CG-SD 3.44Å; P145-M378 WeakPolarHBondContact CG-SD 3.43Å; P145-L432 WeakPolarHBondContact O-CD2 3.36Å
146	V	69.1	Low	65	Low	8 Å²	8	41.1 Å²	41.1	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.2	178.4	-70	0	0	0	0	110.1	K144 I148 L331 T332 D333 H334 Y352 L432	K144-V146 PolarHBondContact O-N 3.35Å; V146-I148 HydrophobicContact CG2-CD1 4.17Å; V146-I148 HydrophobicContact CG2-CG1 4.18Å; V146-L331 WeakPolarHBondContact O-CA 3.27Å; V146-T332 HydrophobicContact CG2-CG2 3.88Å; V146-T332 WeakPolarHBondContact CG2-O 3.47Å; V146-T332 PolarHBondContact N-O 2.94Å; V146-T332 PolarHBondContact O-N 2.91Å; V146-D333 VanDerWaalsContact CG2-C 3.47Å; V146-D333 WeakPolarHBondContact CG2-O 3.41Å; V146-H334 HydrophobicContact CG1-CB 3.77Å; V146-Y352 HydrophobicContact CB-CD1 4.3Å; V146-Y352 HydrophobicContact CB-CE1 4.12Å; V146-Y352 HydrophobicContact CG1-CE1 4.2Å; V146-Y352 HydrophobicContact CG2-CE1 4.05Å; V146-L432 HydrophobicContact CB-CD2 4.5Å; V146-L432 HydrophobicContact CG1-CD2 3.65Å; V146-L432 HydrophobicContact CG1-CG 4.37Å
147	F	71.8	Confident	63.9	Low	6 Å²	6	42 Å²	42	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.9	168.9	-72.7	-79.5	0	0	0	110.6	I292 I329 I330 L331 I353 L355	F147-I292 HydrophobicContact CD1-CG2 4.48Å; F147-I292 HydrophobicContact CE1-CD1 4.06Å; F147-I292 HydrophobicContact CE1-CG2 3.95Å; F147-I329 HydrophobicContact CD1-CG2 3.97Å; F147-I330 WeakPolarHBondContact CA-O 3.21Å; F147-L331 HydrophobicContact CD1-CB 4.19Å; F147-L331 HydrophobicContact CD1-CD1 4.16Å; F147-L331 HydrophobicContact CD2-CD1 4.35Å; F147-L331 HydrophobicContact CE1-CB 3.95Å; F147-L331 HydrophobicContact CE1-CD1 3.9Å; F147-L331 HydrophobicContact CE1-CG 4.34Å; F147-L331 HydrophobicContact CE2-CD1 4.1Å; F147-L331 HydrophobicContact CG-CD1 4.39Å; F147-L331 HydrophobicContact CZ-CD1 3.88Å; F147-I353 HydrophobicContact CB-CB 4.01Å; F147-I353 HydrophobicContact CB-CD1 4.28Å; F147-I353 PolarHBondContact O-N 2.86Å; F147-L355 HydrophobicContact CD2-CD1 3.93Å; F147-L355 HydrophobicContact CE2-CD1 3.99Å
148	I	69.6	Low	62.5	Low	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.4	177.8	-45.5	-179.9	0	0	0	108.5	V146 I330 T332 L340 W350 N351 Y352	V146-I148 HydrophobicContact CG2-CD1 4.17Å; V146-I148 HydrophobicContact CG2-CG1 4.18Å; I148-I330 PolarHBondContact N-O 3.23Å; I148-I330 PolarHBondContact O-N 3.41Å; I148-T332 HydrophobicContact CD1-CG2 3.45Å; I148-T332 VanDerWaalsContact CD1-CG2 3.45Å; I148-T332 HydrophobicContact CG1-CG2 4.03Å; I148-L340 HydrophobicContact CD1-CD1 4.43Å; I148-W350 HydrophobicContact CB-CE3 4.21Å; I148-W350 HydrophobicContact CG2-CB 3.97Å; I148-W350 HydrophobicContact CG2-CD2 4.28Å; I148-W350 HydrophobicContact CG2-CE3 3.55Å; I148-W350 HydrophobicContact CG2-CZ3 4.4Å; I148-N351 WeakPolarHBondContact CA-O 3.2Å; I148-N351 WeakPolarHBondContact CG2-O 3.39Å; I148-Y352 HydrophobicContact CD1-CD1 4.44Å; I148-Y352 HydrophobicContact CD1-CE1 4.07Å; I148-Y352 HydrophobicContact CG1-CD1 4.06Å; I148-Y352 HydrophobicContact CG1-CE1 4.17Å
149	I	71.9	Confident	61.2	Low	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.4	177.1	-168.2	168.6	0	0	0	110.2	Y281 Y284 M328 I329 W350 N351 I353	I149-Y281 HydrophobicContact CD1-CD1 4.07Å; I149-Y281 HydrophobicContact CG2-CD1 3.75Å; I149-Y281 HydrophobicContact CG2-CE1 3.66Å; I149-Y281 HydrophobicContact CG2-CG 4.26Å; I149-Y284 HydrophobicContact CD1-CD1 4.38Å; I149-Y284 HydrophobicContact CD1-CG 4.31Å; I149-M328 CarbonylContact C-O 3.51Å; I149-M328 WeakPolarHBondContact CA-O 3.24Å; I149-I329 HydrophobicContact CB-CG1 4.44Å; I149-I329 HydrophobicContact CD1-CG1 4.05Å; I149-I329 HydrophobicContact CG1-CG1 4.02Å; I149-W350 WeakPolarHBondContact O-CA 3.33Å; I149-N351 HydrophobicContact CG2-CB 4.23Å; I149-N351 PolarHBondContact N-O 2.77Å; I149-N351 PolarHBondContact O-N 3.26Å; I149-I353 HydrophobicContact CB-CD1 3.77Å; I149-I353 HydrophobicContact CB-CG1 4.18Å; I149-I353 HydrophobicContact CG2-CD1 4.09Å; I149-I353 HydrophobicContact CG2-CG1 3.94Å
150	K	71.6	Confident	59.8	Low	28 Å²	28	53.5 Å²	53.5	12%	0.122	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.8	163.3	-166.5	-179.8	-170.6	-178.6	0	108.6	Y152 S327 M328 W350	K150-Y152 HydrophobicContact CD-CD2 4.04Å; K150-Y152 HydrophobicContact CD-CE2 3.56Å; K150-Y152 VanDerWaalsContact CE-CZ 3.48Å; K150-Y152 WeakPolarHBondContact CE-OH 3.32Å; K150-Y152 HydrophobicContact CG-CD2 4.32Å; K150-Y152 HydrophobicContact CG-CE2 4.26Å; K150-Y152 PolarHBondContact NZ-OH 3.02Å; K150-S327 CarbonylContact O-C 3.47Å; K150-S327 WeakPolarHBondContact O-CA 3.17Å; K150-M328 HydrophobicContact CB-CB 4.47Å; K150-M328 PolarHBondContact N-O 3.12Å; K150-M328 PolarHBondContact O-N 3.18Å; K150-W350 HydrophobicContact CB-CD2 3.87Å; K150-W350 HydrophobicContact CB-CE3 3.63Å; K150-W350 HydrophobicContact CB-CH2 3.65Å; K150-W350 HydrophobicContact CB-CZ2 3.91Å; K150-W350 HydrophobicContact CB-CZ3 3.54Å; K150-W350 HydrophobicContact CD-CH2 4.07Å; K150-W350 HydrophobicContact CD-CZ2 3.61Å; K150-W350 HydrophobicContact CG-CD2 4.17Å; K150-W350 HydrophobicContact CG-CE3 4.43Å; K150-W350 HydrophobicContact CG-CH2 4.35Å; K150-W350 HydrophobicContact CG-CZ2 4.12Å
151	C	64.2	Low	58.6	Low	18 Å²	18	58.6 Å²	58.6	12%	0.122	29%	0.293	C	S	.	.			trans	-107.4	104.2	-179.7	-68.9	0	0	0	0	110.7	C156 D349	C151-C156 WeakPolarHBondContact CA-SG 3.47Å; C151-C156 HydrophobicContact CB-CB 3.52Å; C151-C156 WeakPolarHBondContact CB-SG 3.43Å; C151-C156 WeakPolarHBondContact SG-CB 3.45Å; C151-C156 CovalentContact SG-SG 2.01Å; C151-C156 PolarHBondContact SG-SG 3.49Å; C151-D349 HydrophobicContact CB-CB 4.49Å; C151-D349 PolarHBondContact N-O 2.93Å
152	Y	62.1	Low	57.9	Low	62 Å²	62	61 Å²	61	24%	0.243	31%	0.31	C	S	.	.			trans	-88.8	128.2	168	-89.5	-74.6	0	0	0	110.8	K150 I324 N325	K150-Y152 HydrophobicContact CD-CD2 4.04Å; K150-Y152 HydrophobicContact CD-CE2 3.56Å; K150-Y152 VanDerWaalsContact CE-CZ 3.48Å; K150-Y152 WeakPolarHBondContact CE-OH 3.32Å; K150-Y152 HydrophobicContact CG-CD2 4.32Å; K150-Y152 HydrophobicContact CG-CE2 4.26Å; K150-Y152 PolarHBondContact NZ-OH 3.02Å; Y152-I324 WeakPolarHBondContact CD2-O 3.39Å; Y152-I324 WeakPolarHBondContact CE2-O 3.41Å; Y152-N325 WeakPolarHBondContact CB-O 3.28Å
153	K	53.3	Low	57.2	Low	188 Å²	188	62.5 Å²	62.5	82%	0.817	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	95.2	169.8	-71.4	-178	175	177.6	0	115.6	N155	K153-N155 WeakPolarHBondContact O-CB 3.2Å; K153-N155 PolarHBondContact O-N 3.07Å
154	N	51.8	Low	56.4	Low	140 Å²	140	68.6 Å²	68.6	75%	0.749	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	1.6	168.7	-73.1	1.5	0	0	0	118.2	S157	N154-S157 WeakPolarHBondContact CA-OG 3.49Å; N154-S157 PolarHBondContact O-N 3.01Å; N154-S157 PolarHBondContact O-OG 3.24Å
155	N	50.8	Low	55.8	Low	77 Å²	77	72.2 Å²	72.2	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-23	-169.4	-89.1	-14.6	0	0	0	110.9	K153 S157 Y284	K153-N155 WeakPolarHBondContact O-CB 3.2Å; K153-N155 PolarHBondContact O-N 3.07Å; N155-S157 VanDerWaalsContact C-N 3.33Å; N155-Y284 PolarHBondContact O-OH 3.46Å
156	C	52.6	Low	55.2	Low	18 Å²	18	74.5 Å²	74.5	12%	0.122	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.5	168.4	-67.2	0	0	0	0	113.8	C151 Y284	C151-C156 WeakPolarHBondContact CA-SG 3.47Å; C151-C156 HydrophobicContact CB-CB 3.52Å; C151-C156 WeakPolarHBondContact CB-SG 3.43Å; C151-C156 WeakPolarHBondContact SG-CB 3.45Å; C151-C156 CovalentContact SG-SG 2.01Å; C151-C156 PolarHBondContact SG-SG 3.49Å; C156-Y284 VanDerWaalsContact CA-OH 3.28Å; C156-Y284 WeakPolarHBondContact CA-OH 3.23Å
157	S	45.9	Very low	54.8	Low	69 Å²	69	75 Å²	75	48%	0.483	39%	0.392	S	S	.	.			trans	-110.1	17.6	-176.6	70.3	0	0	0	0	113	N154 N155 Q159	N154-S157 WeakPolarHBondContact CA-OG 3.49Å; N154-S157 PolarHBondContact O-N 3.01Å; N154-S157 PolarHBondContact O-OG 3.24Å; N155-S157 VanDerWaalsContact C-N 3.33Å; S157-Q159 PolarHBondContact O-N 2.89Å
158	K	39.7	Very low	54.7	Low	166 Å²	166	76.7 Å²	76.7	72%	0.722	40%	0.4	S	S	*	.			trans	-75.8	58.1	172.1	-71.8	-169.6	179.7	179.5	0	111.3
159	Q	40.8	Very low	54.8	Low	90 Å²	90	78 Å²	78	42%	0.421	41%	0.406	S	S	.	.	S	Bend	trans	-83.4	120.9	141.6	-99.8	177	-15.8	0	0	105.9	S157 D161	S157-Q159 PolarHBondContact O-N 2.89Å; Q159-D161 PolarHBondContact O-N 3.27Å; Q159-D161 VanDerWaalsContact O-N 3.11Å
160	L	38.9	Very low	54.9	Low	157 Å²	157	79.4 Å²	79.4	82%	0.822	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.5	116.8	172.4	-85.3	84.9	0	0	0	110.3	S162	L160-S162 VanDerWaalsContact C-N 3.26Å; L160-S162 PolarHBondContact O-N 3.43Å
161	D	42	Very low	55.2	Low	125 Å²	125	80.6 Å²	80.6	67%	0.668	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	17.1	65.5	171.7	-69.9	-28.5	0	0	0	114.6	Q159 S163 F164 L165	Q159-D161 PolarHBondContact O-N 3.27Å; Q159-D161 VanDerWaalsContact O-N 3.11Å; D161-S163 PolarHBondContact O-N 3.42Å; D161-F164 HydrophobicContact CB-CB 4.26Å; D161-F164 PolarHBondContact O-N 3.43Å; D161-L165 PolarHBondContact O-N 2.96Å; D161-L165 VanDerWaalsContact O-N 3.07Å
162	S	51	Low	55.8	Low	57 Å²	57	85.7 Å²	85.7	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-58.2	-25.5	-177.3	64.8	0	0	0	0	111.6	L160 N166	L160-S162 VanDerWaalsContact C-N 3.26Å; L160-S162 PolarHBondContact O-N 3.43Å; S162-N166 WeakPolarHBondContact O-CA 3.37Å; S162-N166 WeakPolarHBondContact O-CB 3.35Å; S162-N166 PolarHBondContact O-N 2.68Å; S162-N166 PolarHBondContact O-ND2 2.64Å; S162-N166 VanDerWaalsContact O-ND2 3.08Å; S162-N166 PolarHBondContact O-OD1 2.72Å
163	S	50.2	Low	56.7	Low	93 Å²	93	83.8 Å²	83.8	65%	0.65	43%	0.431	S	S	*	.	H	α-helix	trans	-64.9	-41.5	174.7	55.6	0	0	0	0	112.6	D161 G167	D161-S163 PolarHBondContact O-N 3.42Å; S163-G167 PolarHBondContact O-N 2.96Å
164	F	50.9	Low	58.1	Low	131 Å²	131	76.1 Å²	76.1	58%	0.575	40%	0.398	S	S	*	.	H	α-helix	trans	-75.3	-44.1	178.9	-172.1	-98.3	0	0	0	111.1	D161 N166 G167 M168	D161-F164 HydrophobicContact CB-CB 4.26Å; D161-F164 PolarHBondContact O-N 3.43Å; F164-N166 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 2.98Å; F164-G167 PolarHBondContact O-N 3.14Å; F164-G167 VanDerWaalsContact O-N 3.13Å; F164-M168 HydrophobicContact CD1-CG 4.3Å; F164-M168 HydrophobicContact CE1-CG 3.93Å; F164-M168 HydrophobicContact CE2-CG 4.22Å; F164-M168 HydrophobicContact CZ-CE 4.29Å; F164-M168 HydrophobicContact CZ-CG 3.89Å; F164-M168 WeakPolarHBondContact O-CB 3.28Å; F164-M168 WeakPolarHBondContact O-CG 3.39Å; F164-M168 PolarHBondContact O-N 2.7Å
165	L	54.1	Low	59.5	Low	79 Å²	79	76 Å²	76	41%	0.414	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-39.9	176.7	-133.4	101.1	0	0	0	111.5	D161 G167 M168 Y169 Y172	D161-L165 PolarHBondContact O-N 2.96Å; D161-L165 VanDerWaalsContact O-N 3.07Å; L165-G167 VanDerWaalsContact C-N 3.33Å; L165-M168 PolarHBondContact O-N 3.1Å; L165-Y169 PolarHBondContact O-N 2.82Å; L165-Y172 HydrophobicContact CG-CE2 4.1Å
166	N	56.4	Low	61.1	Low	51 Å²	51	76.6 Å²	76.6	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-71.1	-28.7	174.4	-64.8	-8	0	0	0	112.2	S162 F164 Y169 Q273	S162-N166 WeakPolarHBondContact O-CA 3.37Å; S162-N166 WeakPolarHBondContact O-CB 3.35Å; S162-N166 PolarHBondContact O-N 2.68Å; S162-N166 PolarHBondContact O-ND2 2.64Å; S162-N166 VanDerWaalsContact O-ND2 3.08Å; S162-N166 PolarHBondContact O-OD1 2.72Å; F164-N166 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 2.98Å; N166-Y169 VanDerWaalsContact O-CD1 3.23Å; N166-Y169 WeakPolarHBondContact O-CD1 3.41Å; N166-Q273 PolarHBondContact OD1-NE2 2.85Å
167	G	60.9	Low	62.8	Low	18 Å²	18	78.4 Å²	78.4	19%	0.186	42%	0.416	C	S	.	.	H	α-helix	trans	-71.4	-32.6	173.4	0	0	0	0	0	112.4	S163 F164 L165 F170 G452	S163-G167 PolarHBondContact O-N 2.96Å; F164-G167 PolarHBondContact O-N 3.14Å; F164-G167 VanDerWaalsContact O-N 3.13Å; L165-G167 VanDerWaalsContact C-N 3.33Å; G167-F170 VanDerWaalsContact O-CE1 3.29Å; G167-F170 WeakPolarHBondContact O-CE1 3.49Å; G167-G452 WeakPolarHBondContact O-CA 3.25Å
168	M	69.9	Low	64.8	Low	42 Å²	42	78.3 Å²	78.3	21%	0.207	41%	0.409	C	S	.	.	S	Bend	trans	-102	4.9	-174.9	-63.8	-69.7	-89.9	0	0	113.7	F164 L165 F170 L171 Y172 F456	F164-M168 HydrophobicContact CD1-CG 4.3Å; F164-M168 HydrophobicContact CE1-CG 3.93Å; F164-M168 HydrophobicContact CE2-CG 4.22Å; F164-M168 HydrophobicContact CZ-CE 4.29Å; F164-M168 HydrophobicContact CZ-CG 3.89Å; F164-M168 WeakPolarHBondContact O-CB 3.28Å; F164-M168 WeakPolarHBondContact O-CG 3.39Å; F164-M168 PolarHBondContact O-N 2.7Å; L165-M168 PolarHBondContact O-N 3.1Å; M168-F170 PolarHBondContact O-N 2.85Å; M168-L171 HydrophobicContact CE-CD1 3.24Å; M168-L171 WeakPolarHBondContact O-CB 3.42Å; M168-L171 PolarHBondContact O-N 3.18Å; M168-L171 HydrophobicContact SD-CD1 3.75Å; M168-Y172 HydrophobicContact CB-CE2 4.01Å; M168-Y172 VanDerWaalsContact O-CD2 3.29Å; M168-Y172 WeakPolarHBondContact O-CD2 3.25Å; M168-F456 HydrophobicContact CE-CZ 4.08Å; M168-F456 HydrophobicContact SD-CE2 3.41Å; M168-F456 WeakPolarHBondContact SD-CE2 3.37Å; M168-F456 HydrophobicContact SD-CZ 3.52Å; M168-F456 VanDerWaalsContact SD-CZ 3.52Å
169	Y	70.8	Confident	67	Low	30 Å²	30	74.2 Å²	74.2	12%	0.118	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-49.5	-36.4	-175.2	84.4	-76.5	0	0	0	113.3	L165 N166 L171 Y172 I270 Q449 P453	L165-Y169 PolarHBondContact O-N 2.82Å; N166-Y169 VanDerWaalsContact O-CD1 3.23Å; N166-Y169 WeakPolarHBondContact O-CD1 3.41Å; Y169-L171 PolarHBondContact O-N 3.21Å; Y169-Y172 PolarHBondContact O-N 3.5Å; Y169-Y172 VanDerWaalsContact O-N 3.1Å; Y169-I270 HydrophobicContact CD2-CG1 4.43Å; Y169-I270 HydrophobicContact CE2-CD1 4.23Å; Y169-I270 HydrophobicContact CE2-CG1 3.8Å; Y169-Q449 WeakPolarHBondContact CE1-O 3.22Å; Y169-Q449 PolarHBondContact OH-O 3.29Å; Y169-P453 HydrophobicContact CE1-CG 4.37Å
170	F	74.7	Confident	69.3	Low	28 Å²	28	73.1 Å²	73.1	12%	0.123	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-69.7	-16.5	-177.8	73.3	-92.1	0	0	0	113.5	G167 M168 T173 Y262 P453 F456	G167-F170 VanDerWaalsContact O-CE1 3.29Å; G167-F170 WeakPolarHBondContact O-CE1 3.49Å; M168-F170 PolarHBondContact O-N 2.85Å; F170-T173 PolarHBondContact O-OG1 2.8Å; F170-T173 VanDerWaalsContact O-OG1 3.08Å; F170-Y262 WeakPolarHBondContact CB-OH 3.25Å; F170-Y262 VanDerWaalsContact O-CE2 3.31Å; F170-Y262 WeakPolarHBondContact O-CE2 3.4Å; F170-Y262 PolarHBondContact O-OH 3.36Å; F170-P453 HydrophobicContact CD1-CG 3.99Å; F170-P453 HydrophobicContact CG-CG 4.3Å; F170-F456 AromaticContact CE1-CD2 3.68Å; F170-F456 HydrophobicContact CE1-CD2 3.68Å; F170-F456 AromaticContact CE1-CE2 3.79Å; F170-F456 HydrophobicContact CE1-CE2 3.79Å; F170-F456 HydrophobicContact CE1-CG 4.47Å; F170-F456 HydrophobicContact CZ-CD1 4.31Å; F170-F456 AromaticContact CZ-CD2 3.42Å; F170-F456 HydrophobicContact CZ-CD2 3.42Å; F170-F456 VanDerWaalsContact CZ-CD2 3.42Å; F170-F456 HydrophobicContact CZ-CE1 4.38Å; F170-F456 AromaticContact CZ-CE2 3.5Å; F170-F456 HydrophobicContact CZ-CE2 3.5Å; F170-F456 AromaticContact CZ-CG 3.84Å; F170-F456 HydrophobicContact CZ-CG 3.84Å; F170-F456 AromaticContact CZ-CZ 4Å; F170-F456 HydrophobicContact CZ-CZ 4Å
171	L	79	Confident	71.7	Confident	53 Å²	53	69.3 Å²	69.3	28%	0.277	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-87.7	-22.5	172.4	-68.3	170	0	0	0	112.4	M168 Y169 T173 W179 F456	M168-L171 HydrophobicContact CE-CD1 3.24Å; M168-L171 WeakPolarHBondContact O-CB 3.42Å; M168-L171 PolarHBondContact O-N 3.18Å; M168-L171 HydrophobicContact SD-CD1 3.75Å; Y169-L171 PolarHBondContact O-N 3.21Å; L171-T173 PolarHBondContact O-N 3.31Å; L171-W179 HydrophobicContact CD2-CZ2 3.99Å; L171-W179 PolarHBondContact O-NE1 3.25Å; L171-F456 HydrophobicContact CD1-CZ 4.39Å
172	Y	75.4	Confident	74	Confident	125 Å²	125	64.3 Å²	64.3	49%	0.49	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.4	-179.7	-73	-79.2	0	0	0	113.9	L165 M168 Y169 F174	L165-Y172 HydrophobicContact CG-CE2 4.1Å; M168-Y172 HydrophobicContact CB-CE2 4.01Å; M168-Y172 VanDerWaalsContact O-CD2 3.29Å; M168-Y172 WeakPolarHBondContact O-CD2 3.25Å; Y169-Y172 PolarHBondContact O-N 3.5Å; Y169-Y172 VanDerWaalsContact O-N 3.1Å; Y172-F174 PolarHBondContact O-N 3.33Å
173	T	80.8	Confident	75.8	Confident	22 Å²	22	66.7 Å²	66.7	14%	0.135	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.1	173.8	42.5	0	0	0	0	112.9	F170 L171 Y262 T266 L269	F170-T173 PolarHBondContact O-OG1 2.8Å; F170-T173 VanDerWaalsContact O-OG1 3.08Å; L171-T173 PolarHBondContact O-N 3.31Å; T173-Y262 HydrophobicContact CG2-CE2 4.24Å; T173-Y262 VanDerWaalsContact OG1-CD2 3.28Å; T173-Y262 WeakPolarHBondContact OG1-CD2 3.34Å; T173-Y262 WeakPolarHBondContact OG1-CE2 3.42Å; T173-T266 VanDerWaalsContact CG2-CA 3.44Å; T173-T266 HydrophobicContact CG2-CG2 3.37Å; T173-T266 VanDerWaalsContact CG2-N 3.28Å; T173-L269 HydrophobicContact CG2-CD1 3.72Å
174	F	83.1	Confident	77.8	Confident	28 Å²	28	66.6 Å²	66.6	12%	0.123	34%	0.344	C	S	.	.	S	Bend	trans	-115.4	140.5	175.4	-73.2	-33.6	0	0	0	109.9	Y172 I178 W179 I182 A261 Y262	Y172-F174 PolarHBondContact O-N 3.33Å; F174-I178 HydrophobicContact CB-CB 3.99Å; F174-I178 HydrophobicContact CB-CD1 4.36Å; F174-I178 HydrophobicContact CB-CG2 3.99Å; F174-I178 HydrophobicContact CD1-CD1 4.04Å; F174-I178 HydrophobicContact CD1-CG2 4.09Å; F174-I178 HydrophobicContact CD2-CG2 3.99Å; F174-I178 HydrophobicContact CE2-CG2 4.5Å; F174-I178 HydrophobicContact CG-CB 4.3Å; F174-I178 HydrophobicContact CG-CD1 4.44Å; F174-I178 HydrophobicContact CG-CG2 3.77Å; F174-W179 HydrophobicContact CB-CZ2 4.49Å; F174-W179 HydrophobicContact CD2-CH2 4.39Å; F174-W179 HydrophobicContact CD2-CZ2 4.15Å; F174-W179 PolarHBondContact O-NE1 3.18Å; F174-I182 HydrophobicContact CD2-CD1 4.22Å; F174-I182 HydrophobicContact CE2-CD1 4.23Å; F174-A261 HydrophobicContact CE1-CB 4.18Å; F174-A261 HydrophobicContact CZ-CB 4.01Å; F174-Y262 AromaticContact CD2-CD2 3.97Å; F174-Y262 HydrophobicContact CD2-CD2 3.97Å; F174-Y262 AromaticContact CE2-CD2 3.77Å; F174-Y262 HydrophobicContact CE2-CD2 3.77Å; F174-Y262 HydrophobicContact CE2-CG 4.3Å; F174-Y262 HydrophobicContact CZ-CD2 4.4Å
175	H	82.2	Confident	79.7	Confident	137 Å²	137	65.2 Å²	65.2	63%	0.634	34%	0.336	S	S	*	.			trans	-59.9	148.2	169.4	-170.6	-99.2	0	0	0	109.7	S177 I178 W179	H175-S177 PolarHBondContact ND1-N 2.7Å; H175-S177 PolarHBondContact ND1-OG 3.26Å; H175-S177 PolarHBondContact O-N 2.91Å; H175-I178 WeakPolarHBondContact O-CB 3.47Å; H175-I178 PolarHBondContact O-N 3.23Å; H175-W179 PolarHBondContact O-N 3.14Å
176	S	83.4	Confident	81.4	Confident	90 Å²	90	61.6 Å²	61.6	63%	0.629	32%	0.317	S	S	*	.	H	α-helix	trans	-51.4	-32.5	-178.8	-178.8	0	0	0	0	113.2	I178 W179 S180	S176-I178 VanDerWaalsContact C-N 3.35Å; S176-I178 PolarHBondContact O-N 3.33Å; S176-W179 PolarHBondContact O-N 3.11Å; S176-S180 PolarHBondContact O-N 3.23Å; S176-S180 PolarHBondContact O-OG 2.85Å
177	S	87.9	Confident	83.1	Confident	56 Å²	56	62.7 Å²	62.7	39%	0.392	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-31.8	175.1	60.6	0	0	0	0	114.4	H175 S180 L181	H175-S177 PolarHBondContact ND1-N 2.7Å; H175-S177 PolarHBondContact ND1-OG 3.26Å; H175-S177 PolarHBondContact O-N 2.91Å; S177-S180 WeakPolarHBondContact CA-OG 3.3Å; S177-S180 PolarHBondContact O-OG 3.1Å; S177-L181 WeakPolarHBondContact O-CB 3.15Å; S177-L181 VanDerWaalsContact O-CG 3.24Å; S177-L181 WeakPolarHBondContact O-CG 3.27Å; S177-L181 PolarHBondContact O-N 3.06Å
178	I	88	Confident	84.6	Confident	66 Å²	66	64.6 Å²	64.6	34%	0.338	33%	0.331	S	S	.	.	H	α-helix	trans	-74.7	-40.7	177.7	-63	171.1	0	0	0	109.3	F174 H175 S176 S180 L181 I182	F174-I178 HydrophobicContact CB-CB 3.99Å; F174-I178 HydrophobicContact CB-CD1 4.36Å; F174-I178 HydrophobicContact CB-CG2 3.99Å; F174-I178 HydrophobicContact CD1-CD1 4.04Å; F174-I178 HydrophobicContact CD1-CG2 4.09Å; F174-I178 HydrophobicContact CD2-CG2 3.99Å; F174-I178 HydrophobicContact CE2-CG2 4.5Å; F174-I178 HydrophobicContact CG-CB 4.3Å; F174-I178 HydrophobicContact CG-CD1 4.44Å; F174-I178 HydrophobicContact CG-CG2 3.77Å; H175-I178 WeakPolarHBondContact O-CB 3.47Å; H175-I178 PolarHBondContact O-N 3.23Å; S176-I178 VanDerWaalsContact C-N 3.35Å; S176-I178 PolarHBondContact O-N 3.33Å; I178-S180 VanDerWaalsContact C-N 3.33Å; I178-S180 PolarHBondContact O-N 3.23Å; I178-L181 PolarHBondContact O-N 3.32Å; I178-I182 HydrophobicContact CG2-CD1 4.03Å; I178-I182 HydrophobicContact CG2-CG1 4.48Å; I178-I182 WeakPolarHBondContact O-CG1 3.32Å; I178-I182 PolarHBondContact O-N 2.94Å
179	W	86.7	Confident	85.6	Confident	81 Å²	81	63.5 Å²	63.5	31%	0.307	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-43.5	173.6	-73.4	116.9	0	0	0	112.3	L171 F174 H175 S176 L181 I182 L183 Y262	L171-W179 HydrophobicContact CD2-CZ2 3.99Å; L171-W179 PolarHBondContact O-NE1 3.25Å; F174-W179 HydrophobicContact CB-CZ2 4.49Å; F174-W179 HydrophobicContact CD2-CH2 4.39Å; F174-W179 HydrophobicContact CD2-CZ2 4.15Å; F174-W179 PolarHBondContact O-NE1 3.18Å; H175-W179 PolarHBondContact O-N 3.14Å; S176-W179 PolarHBondContact O-N 3.11Å; W179-L181 VanDerWaalsContact C-N 3.34Å; W179-I182 HydrophobicContact CE3-CD1 4.26Å; W179-I182 PolarHBondContact O-N 2.8Å; W179-L183 PolarHBondContact O-N 3.31Å; W179-Y262 HydrophobicContact CH2-CD2 4.17Å; W179-Y262 AromaticContact CH2-CE2 3.76Å; W179-Y262 HydrophobicContact CH2-CE2 3.76Å; W179-Y262 HydrophobicContact CZ2-CD2 4.26Å; W179-Y262 AromaticContact CZ2-CE2 3.73Å; W179-Y262 HydrophobicContact CZ2-CE2 3.73Å
180	S	89	Confident	86.5	Confident	67 Å²	67	62.1 Å²	62.1	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-35.7	176.4	66.7	0	0	0	0	112.4	S176 S177 I178 L183 L184	S176-S180 PolarHBondContact O-N 3.23Å; S176-S180 PolarHBondContact O-OG 2.85Å; S177-S180 WeakPolarHBondContact CA-OG 3.3Å; S177-S180 PolarHBondContact O-OG 3.1Å; I178-S180 VanDerWaalsContact C-N 3.33Å; I178-S180 PolarHBondContact O-N 3.23Å; S180-L183 PolarHBondContact O-N 2.92Å; S180-L184 WeakPolarHBondContact O-CB 3.45Å; S180-L184 PolarHBondContact O-N 2.79Å
181	L	90.3	Very high	87.3	Confident	76 Å²	76	63.1 Å²	63.1	40%	0.398	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-42.5	172.8	-77.3	169.8	0	0	0	112.5	S177 I178 W179 L183 L184 Y185	S177-L181 WeakPolarHBondContact O-CB 3.15Å; S177-L181 VanDerWaalsContact O-CG 3.24Å; S177-L181 WeakPolarHBondContact O-CG 3.27Å; S177-L181 PolarHBondContact O-N 3.06Å; I178-L181 PolarHBondContact O-N 3.32Å; W179-L181 VanDerWaalsContact C-N 3.34Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.3Å; L181-L184 PolarHBondContact O-N 3.46Å; L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 WeakPolarHBondContact O-CD2 3.35Å; L181-Y185 VanDerWaalsContact O-CG 3.25Å; L181-Y185 PolarHBondContact O-N 3.18Å
182	I	88.7	Confident	87.9	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-46.7	175	-68.5	165.9	0	0	0	109.7	F174 I178 W179 L184 Y185 T186 L230	F174-I182 HydrophobicContact CD2-CD1 4.22Å; F174-I182 HydrophobicContact CE2-CD1 4.23Å; I178-I182 HydrophobicContact CG2-CD1 4.03Å; I178-I182 HydrophobicContact CG2-CG1 4.48Å; I178-I182 WeakPolarHBondContact O-CG1 3.32Å; I178-I182 PolarHBondContact O-N 2.94Å; W179-I182 HydrophobicContact CE3-CD1 4.26Å; W179-I182 PolarHBondContact O-N 2.8Å; I182-L184 VanDerWaalsContact C-N 3.35Å; I182-L184 PolarHBondContact O-N 3.45Å; I182-Y185 PolarHBondContact O-N 2.86Å; I182-T186 WeakPolarHBondContact O-CG2 3.38Å; I182-T186 PolarHBondContact O-N 2.86Å; I182-L230 HydrophobicContact CG2-CD2 4.22Å
183	L	89.1	Confident	88.5	Confident	107 Å²	107	58.5 Å²	58.5	56%	0.56	32%	0.315	S	S	*	.	H	α-helix	trans	-63.2	-39.2	176.8	-174.8	151.2	0	0	0	112.3	W179 S180 L181 T186 L187	W179-L183 PolarHBondContact O-N 3.31Å; S180-L183 PolarHBondContact O-N 2.92Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.3Å; L183-T186 PolarHBondContact O-OG1 3.19Å; L183-L187 HydrophobicContact CD2-CD1 3.67Å; L183-L187 HydrophobicContact CD2-CG 4.37Å; L183-L187 WeakPolarHBondContact O-CG 3.45Å; L183-L187 PolarHBondContact O-N 3.2Å; L183-L187 VanDerWaalsContact O-N 3.15Å
184	L	91.6	Very high	88.8	Confident	91 Å²	91	60.2 Å²	60.2	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-42.7	175.8	-176.3	65	0	0	0	110.9	S180 L181 I182 L187 T188	S180-L184 WeakPolarHBondContact O-CB 3.45Å; S180-L184 PolarHBondContact O-N 2.79Å; L181-L184 PolarHBondContact O-N 3.46Å; I182-L184 VanDerWaalsContact C-N 3.35Å; I182-L184 PolarHBondContact O-N 3.45Å; L184-L187 PolarHBondContact O-N 3.29Å; L184-T188 HydrophobicContact CD1-CG2 4.46Å; L184-T188 WeakPolarHBondContact O-CG2 3.18Å; L184-T188 PolarHBondContact O-N 3.25Å; L184-T188 PolarHBondContact O-OG1 2.88Å
185	Y	91.9	Very high	89	Confident	102 Å²	102	62.1 Å²	62.1	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-33.9	179.2	-66.9	-25	0	0	0	113.3	L181 I182 L187 T188 T189 F254	L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 WeakPolarHBondContact O-CD2 3.35Å; L181-Y185 VanDerWaalsContact O-CG 3.25Å; L181-Y185 PolarHBondContact O-N 3.18Å; I182-Y185 PolarHBondContact O-N 2.86Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-T188 WeakPolarHBondContact CA-OG1 3.47Å; Y185-T188 PolarHBondContact O-OG1 3.36Å; Y185-T189 WeakPolarHBondContact O-CB 3.48Å; Y185-T189 VanDerWaalsContact O-CG2 3.29Å; Y185-T189 WeakPolarHBondContact O-CG2 3.46Å; Y185-T189 PolarHBondContact O-N 3.27Å; Y185-T189 PolarHBondContact O-OG1 2.89Å; Y185-F254 HydrophobicContact CD2-CE1 4.13Å; Y185-F254 HydrophobicContact CD2-CE2 4.06Å; Y185-F254 AromaticContact CD2-CZ 3.56Å; Y185-F254 HydrophobicContact CD2-CZ 3.56Å; Y185-F254 HydrophobicContact CE2-CE2 4.2Å; Y185-F254 HydrophobicContact CE2-CZ 4.09Å
186	T	89.9	Confident	89.3	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-42.7	170.6	56.6	0	0	0	0	110.9	I182 L183 T189 G190 V226 L230 W251	I182-T186 WeakPolarHBondContact O-CG2 3.38Å; I182-T186 PolarHBondContact O-N 2.86Å; L183-T186 PolarHBondContact O-OG1 3.19Å; T186-T189 PolarHBondContact O-OG1 3Å; T186-G190 PolarHBondContact O-N 3.13Å; T186-V226 HydrophobicContact CG2-CG1 4.42Å; T186-L230 HydrophobicContact CG2-CD1 3.4Å; T186-L230 VanDerWaalsContact CG2-CD1 3.4Å; T186-L230 HydrophobicContact CG2-CD2 4.45Å; T186-L230 HydrophobicContact CG2-CG 4.16Å; T186-W251 HydrophobicContact CG2-CH2 3.55Å; T186-W251 HydrophobicContact CG2-CZ2 3.68Å
187	L	91.3	Very high	89.2	Confident	73 Å²	73	55.7 Å²	55.7	38%	0.382	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-44.7	-179.6	-72.7	176.7	0	0	0	112.2	L183 L184 Y185 S191 Y223	L183-L187 HydrophobicContact CD2-CD1 3.67Å; L183-L187 HydrophobicContact CD2-CG 4.37Å; L183-L187 WeakPolarHBondContact O-CG 3.45Å; L183-L187 PolarHBondContact O-N 3.2Å; L183-L187 VanDerWaalsContact O-N 3.15Å; L184-L187 PolarHBondContact O-N 3.29Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; L187-S191 WeakPolarHBondContact O-CB 3.25Å; L187-S191 PolarHBondContact O-N 2.92Å; L187-S191 PolarHBondContact O-OG 3.3Å; L187-Y223 HydrophobicContact CD2-CE1 3.98Å
188	T	92.4	Very high	88.9	Confident	58 Å²	58	61.6 Å²	61.6	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-70.2	-42	-179.9	57.1	0	0	0	0	112	L184 Y185 S191 L192	L184-T188 HydrophobicContact CD1-CG2 4.46Å; L184-T188 WeakPolarHBondContact O-CG2 3.18Å; L184-T188 PolarHBondContact O-N 3.25Å; L184-T188 PolarHBondContact O-OG1 2.88Å; Y185-T188 WeakPolarHBondContact CA-OG1 3.47Å; Y185-T188 PolarHBondContact O-OG1 3.36Å; T188-S191 PolarHBondContact O-N 2.92Å; T188-L192 WeakPolarHBondContact O-CB 3.13Å; T188-L192 VanDerWaalsContact O-CG 3.29Å; T188-L192 WeakPolarHBondContact O-CG 2.99Å; T188-L192 PolarHBondContact O-N 3.05Å
189	T	91.5	Very high	88.5	Confident	20 Å²	20	62.6 Å²	62.6	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-39.3	178.1	52.5	0	0	0	0	112.3	Y185 T186 S191 L192 L193 V226 W251	Y185-T189 WeakPolarHBondContact O-CB 3.48Å; Y185-T189 VanDerWaalsContact O-CG2 3.29Å; Y185-T189 WeakPolarHBondContact O-CG2 3.46Å; Y185-T189 PolarHBondContact O-N 3.27Å; Y185-T189 PolarHBondContact O-OG1 2.89Å; T186-T189 PolarHBondContact O-OG1 3Å; T189-S191 VanDerWaalsContact C-N 3.34Å; T189-S191 PolarHBondContact O-N 2.82Å; T189-L192 PolarHBondContact O-N 3.06Å; T189-L193 VanDerWaalsContact O-CB 3.22Å; T189-L193 WeakPolarHBondContact O-CB 3.39Å; T189-L193 PolarHBondContact O-N 3.34Å; T189-V226 WeakPolarHBondContact OG1-CG1 3.36Å; T189-W251 HydrophobicContact CG2-CD2 4.34Å; T189-W251 HydrophobicContact CG2-CE3 3.58Å; T189-W251 HydrophobicContact CG2-CZ3 3.89Å
190	G	90.3	Very high	87.7	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-43	173	0	0	0	0	0	112.2	T186 F194	T186-G190 PolarHBondContact O-N 3.13Å; G190-F194 PolarHBondContact O-N 3.1Å; G190-F194 VanDerWaalsContact O-N 3.1Å
191	S	90.6	Very high	86.3	Confident	49 Å²	49	66 Å²	66	34%	0.343	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.5	-63.1	0	0	0	0	112.5	L187 T188 T189 F194 V195 Y223	L187-S191 WeakPolarHBondContact O-CB 3.25Å; L187-S191 PolarHBondContact O-N 2.92Å; L187-S191 PolarHBondContact O-OG 3.3Å; T188-S191 PolarHBondContact O-N 2.92Å; T189-S191 VanDerWaalsContact C-N 3.34Å; T189-S191 PolarHBondContact O-N 2.82Å; S191-F194 WeakPolarHBondContact O-CB 3.29Å; S191-F194 PolarHBondContact O-N 3.19Å; S191-V195 WeakPolarHBondContact O-CG2 3.31Å; S191-V195 PolarHBondContact O-N 3.44Å; S191-Y223 PolarHBondContact OG-OH 2.86Å
192	L	91.4	Very high	84.5	Confident	80 Å²	80	67.4 Å²	67.4	42%	0.419	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-43.4	178.9	-76.5	172.8	0	0	0	111.3	T188 T189 F194 V195 F196 I247	T188-L192 WeakPolarHBondContact O-CB 3.13Å; T188-L192 VanDerWaalsContact O-CG 3.29Å; T188-L192 WeakPolarHBondContact O-CG 2.99Å; T188-L192 PolarHBondContact O-N 3.05Å; T189-L192 PolarHBondContact O-N 3.06Å; L192-F194 VanDerWaalsContact C-N 3.29Å; L192-F194 PolarHBondContact O-N 3.45Å; L192-V195 PolarHBondContact O-N 3.12Å; L192-V195 VanDerWaalsContact O-N 3.1Å; L192-F196 HydrophobicContact CB-CD2 4.35Å; L192-F196 HydrophobicContact CB-CE2 4.09Å; L192-F196 HydrophobicContact CD2-CE2 4.17Å; L192-F196 WeakPolarHBondContact O-CD2 3.25Å; L192-F196 PolarHBondContact O-N 3.41Å; L192-I247 HydrophobicContact CB-CD1 4.17Å
193	L	89	Confident	82.3	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-44.8	176.8	-172.2	63.8	0	0	0	111.1	T189 F196 E197 Y225 V226 P239 T248	T189-L193 VanDerWaalsContact O-CB 3.22Å; T189-L193 WeakPolarHBondContact O-CB 3.39Å; T189-L193 PolarHBondContact O-N 3.34Å; L193-F196 PolarHBondContact O-N 3.13Å; L193-E197 PolarHBondContact O-N 3.3Å; L193-Y225 HydrophobicContact CD2-CD1 3.85Å; L193-Y225 HydrophobicContact CD2-CG 4.16Å; L193-V226 HydrophobicContact CD2-CG2 4.19Å; L193-P239 HydrophobicContact CD1-CB 4.02Å; L193-T248 HydrophobicContact CD1-CG2 3.71Å; L193-T248 HydrophobicContact CD2-CG2 4.17Å
194	F	87.5	Confident	80.1	Confident	58 Å²	58	71.2 Å²	71.2	25%	0.254	38%	0.375	S	S	.	.	H	α-helix	trans	-60	-45.8	173.5	172.6	-106.9	0	0	0	112	G190 S191 L192 F196 E197 Y198 L219	G190-F194 PolarHBondContact O-N 3.1Å; G190-F194 VanDerWaalsContact O-N 3.1Å; S191-F194 WeakPolarHBondContact O-CB 3.29Å; S191-F194 PolarHBondContact O-N 3.19Å; L192-F194 VanDerWaalsContact C-N 3.29Å; L192-F194 PolarHBondContact O-N 3.45Å; F194-F196 PolarHBondContact O-N 3.25Å; F194-E197 PolarHBondContact O-N 3.17Å; F194-Y198 HydrophobicContact CZ-CD2 4.28Å; F194-Y198 HydrophobicContact CZ-CG 4.46Å; F194-Y198 WeakPolarHBondContact O-CB 3.44Å; F194-Y198 PolarHBondContact O-N 3.19Å; F194-L219 HydrophobicContact CD1-CD1 4.08Å; F194-L219 HydrophobicContact CD2-CB 3.92Å; F194-L219 HydrophobicContact CE1-CD1 4.22Å; F194-L219 HydrophobicContact CE2-CB 4.04Å; F194-L219 HydrophobicContact CG-CB 4.26Å; F194-L219 HydrophobicContact CG-CD1 4.35Å; F194-L219 HydrophobicContact CZ-CB 4.47Å
195	V	87.4	Confident	77.8	Confident	69 Å²	69	75.6 Å²	75.6	42%	0.418	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-43.2	178.6	171.7	0	0	0	0	111.5	S191 L192 Y198 T199	S191-V195 WeakPolarHBondContact O-CG2 3.31Å; S191-V195 PolarHBondContact O-N 3.44Å; L192-V195 PolarHBondContact O-N 3.12Å; L192-V195 VanDerWaalsContact O-N 3.1Å; V195-Y198 PolarHBondContact O-N 3.32Å; V195-T199 HydrophobicContact CG1-CG2 4.18Å; V195-T199 VanDerWaalsContact O-CB 3.3Å; V195-T199 WeakPolarHBondContact O-CB 3.45Å; V195-T199 VanDerWaalsContact O-CG2 3.27Å; V195-T199 WeakPolarHBondContact O-CG2 3.36Å; V195-T199 PolarHBondContact O-N 3.28Å; V195-T199 PolarHBondContact O-OG1 3.32Å
196	F	86.7	Confident	75.6	Confident	74 Å²	74	80.1 Å²	80.1	33%	0.325	41%	0.408	S	S	.	.	H	α-helix	trans	-69.1	-35.7	-180	-72.9	-60.7	0	0	0	113.5	L192 L193 F194 R200 I247	L192-F196 HydrophobicContact CB-CD2 4.35Å; L192-F196 HydrophobicContact CB-CE2 4.09Å; L192-F196 HydrophobicContact CD2-CE2 4.17Å; L192-F196 WeakPolarHBondContact O-CD2 3.25Å; L192-F196 PolarHBondContact O-N 3.41Å; L193-F196 PolarHBondContact O-N 3.13Å; F194-F196 PolarHBondContact O-N 3.25Å; F196-R200 PolarHBondContact O-N 3.22Å; F196-I247 HydrophobicContact CD2-CD1 3.33Å; F196-I247 HydrophobicContact CE2-CD1 3.03Å; F196-I247 HydrophobicContact CE2-CG1 4.42Å; F196-I247 HydrophobicContact CZ-CD1 4.04Å
197	E	82.9	Confident	73	Confident	17 Å²	17	83.8 Å²	83.8	8%	0.079	43%	0.431	C	S	.	.	H	α-helix	trans	-73.8	-38.3	174.4	-70.3	-61.5	142.1	0	0	111.8	L193 F194 R200 L217 P239 K240 S241	L193-E197 PolarHBondContact O-N 3.3Å; F194-E197 PolarHBondContact O-N 3.17Å; E197-R200 VanDerWaalsContact O-CB 3.31Å; E197-R200 WeakPolarHBondContact O-CB 3.39Å; E197-R200 PolarHBondContact O-N 3.34Å; E197-L217 HydrophobicContact CB-CB 4.46Å; E197-L217 HydrophobicContact CG-CB 4.25Å; E197-L217 HydrophobicContact CG-CD1 4.1Å; E197-P239 WeakPolarHBondContact OE1-CA 3.39Å; E197-P239 WeakPolarHBondContact OE1-CB 3.47Å; E197-K240 PolarHBondContact OE1-N 3.13Å; E197-S241 VanDerWaalsContact OE1-CB 3.27Å; E197-S241 WeakPolarHBondContact OE1-CB 3.27Å; E197-S241 PolarHBondContact OE1-N 2.89Å; E197-S241 PolarHBondContact OE1-OG 2.8Å
198	Y	80.9	Confident	70.5	Confident	181 Å²	181	90.8 Å²	90.8	71%	0.71	46%	0.458	S	S	*	.	H	α-helix	trans	-69	-38.5	177.7	-174.3	-96.5	0	0	0	112.8	F194 V195 R200	F194-Y198 HydrophobicContact CZ-CD2 4.28Å; F194-Y198 HydrophobicContact CZ-CG 4.46Å; F194-Y198 WeakPolarHBondContact O-CB 3.44Å; F194-Y198 PolarHBondContact O-N 3.19Å; V195-Y198 PolarHBondContact O-N 3.32Å; Y198-R200 PolarHBondContact O-N 2.02Å
199	T	79.4	Confident	68.2	Low	86 Å²	86	95.4 Å²	95.4	53%	0.528	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.1	179.2	57.8	0	0	0	0	113.5	V195 P201	V195-T199 HydrophobicContact CG1-CG2 4.18Å; V195-T199 VanDerWaalsContact O-CB 3.3Å; V195-T199 WeakPolarHBondContact O-CB 3.45Å; V195-T199 VanDerWaalsContact O-CG2 3.27Å; V195-T199 WeakPolarHBondContact O-CG2 3.36Å; V195-T199 PolarHBondContact O-N 3.28Å; V195-T199 PolarHBondContact O-OG1 3.32Å; T199-P201 WeakPolarHBondContact O-CD 3.47Å; T199-P201 VanDerWaalsContact O-N 3.15Å
200	R	69.8	Low	65.6	Low	112 Å²	112	97.5 Å²	97.5	42%	0.423	50%	0.495	S	S	.	.			trans	-59.4	119.8	176.3	-176.3	179.8	177.2	-170.3	-0.7	109	F196 E197 Y198 S202	F196-R200 PolarHBondContact O-N 3.22Å; E197-R200 VanDerWaalsContact O-CB 3.31Å; E197-R200 WeakPolarHBondContact O-CB 3.39Å; E197-R200 PolarHBondContact O-N 3.34Å; Y198-R200 PolarHBondContact O-N 2.02Å; R200-S202 PolarHBondContact O-N 3.36Å; R200-S202 VanDerWaalsContact O-N 3.07Å
201	P	59.5	Low	63.2	Low	107 Å²	107	102.4 Å²	102.4	70%	0.695	53%	0.527	S	S	*	.			trans	-61.5	119.4	177.3	21.9	-29.7	0	0	0	109	T199 S203	T199-P201 WeakPolarHBondContact O-CD 3.47Å; T199-P201 VanDerWaalsContact O-N 3.15Å; P201-S203 PolarHBondContact O-N 2.91Å
202	S	53.2	Low	61.2	Low	107 Å²	107	105.6 Å²	105.6	75%	0.748	55%	0.549	S	S	*	.			trans	-67.1	84.1	170.1	58.6	0	0	0	0	107.8	R200 D204	R200-S202 PolarHBondContact O-N 3.36Å; R200-S202 VanDerWaalsContact O-N 3.07Å; S202-D204 PolarHBondContact O-N 3.48Å
203	S	41.9	Very low	59.2	Low	46 Å²	46	108.5 Å²	108.5	32%	0.322	57%	0.565	S	S	.	*			trans	-77.4	77.8	179.7	78.6	0	0	0	0	109.5	P201 K205 Y206 T207	P201-S203 PolarHBondContact O-N 2.91Å; S203-K205 PolarHBondContact O-N 2.9Å; S203-Y206 PolarHBondContact O-N 3.02Å; S203-T207 PolarHBondContact OG-OG1 3.34Å
204	D	44.3	Very low	57.6	Low	161 Å²	161	114.2 Å²	114.2	86%	0.861	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-16.4	162.4	-77.2	-21.1	0	0	0	111.2	S202	S202-D204 PolarHBondContact O-N 3.48Å
205	K	42.3	Very low	56.1	Low	184 Å²	184	116 Å²	116	80%	0.8	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-12.5	179.8	-94.3	-179.4	173.5	176.7	0	117.1	S203	S203-K205 PolarHBondContact O-N 2.9Å
206	Y	44.8	Very low	54.9	Low	196 Å²	196	117.1 Å²	117.1	77%	0.769	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	-0.6	-168.7	-71.3	-72	0	0	0	118.5	S203	S203-Y206 PolarHBondContact O-N 3.02Å
207	T	36.9	Very low	54.2	Low	81 Å²	81	114.1 Å²	114.1	50%	0.497	61%	0.607	S	S	.	*			trans	-141.3	89.6	175.8	43.3	0	0	0	0	113	S203 I209	S203-T207 PolarHBondContact OG-OG1 3.34Å; T207-I209 PolarHBondContact O-N 2.93Å
208	K	37.3	Very low	54.1	Low	219 Å²	219	114.6 Å²	114.6	95%	0.952	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	17.3	167.8	-132.9	177.9	-172.2	-179.9	0	113.4
209	I	44.6	Very low	54.3	Low	156 Å²	156	110.2 Å²	110.2	80%	0.8	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-7.1	-163.7	-61.8	175.9	0	0	0	113.1	T207	T207-I209 PolarHBondContact O-N 2.93Å
210	S	37.3	Very low	54.6	Low	63 Å²	63	115.4 Å²	115.4	44%	0.441	62%	0.615	S	S	.	*	S	Bend	trans	-151.8	125.6	164	67.7	0	0	0	0	111.8
211	P	39.1	Very low	55.4	Low	104 Å²	104	112.2 Å²	112.2	68%	0.675	61%	0.606	S	S	*	*			trans	-61.9	145.9	175.1	27.1	-31.9	0	0	0	110.6	N213	P211-N213 PolarHBondContact O-N 2.84Å
212	S	49.9	Very low	56.6	Low	115 Å²	115	107.1 Å²	107.1	80%	0.804	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	15.4	-175.7	62.3	0	0	0	0	115.9
213	N	48.9	Very low	58.3	Low	142 Å²	142	103.9 Å²	103.9	76%	0.759	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.6	-171.5	-77.6	-0.8	0	0	0	114.2	P211	P211-N213 PolarHBondContact O-N 2.84Å
214	E	54.1	Low	60.5	Low	120 Å²	120	103.8 Å²	103.8	56%	0.561	54%	0.542	S	S	*	.	S	Bend	trans	-86.7	126.2	175.2	-73.9	-177.4	-152.8	0	0	110.4	S216 K240	E214-S216 PolarHBondContact O-N 2.98Å; E214-K240 WeakPolarHBondContact OE2-CE 3.27Å; E214-K240 IonicContact OE2-NZ 3.69Å; E214-K240 PolarHBondContact OE2-NZ 2.95Å
215	P	56	Low	62.5	Low	95 Å²	95	97 Å²	97	62%	0.617	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-59.7	123.3	-175.5	24.1	-32.6	0	0	0	109.5
216	S	64.1	Low	64.7	Low	94 Å²	94	88.4 Å²	88.4	66%	0.657	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-56.7	150	168.4	48.7	0	0	0	0	109.7	E214 G218	E214-S216 PolarHBondContact O-N 2.98Å; S216-G218 PolarHBondContact O-N 3.45Å
217	L	71.9	Confident	66.7	Low	10 Å²	10	83.6 Å²	83.6	5%	0.052	45%	0.451	C	S	.	.			trans	-60.2	112.6	171.7	-88.7	119.1	0	0	0	108.7	E197 D221 K237 P239	E197-L217 HydrophobicContact CB-CB 4.46Å; E197-L217 HydrophobicContact CG-CB 4.25Å; E197-L217 HydrophobicContact CG-CD1 4.1Å; L217-D221 HydrophobicContact CB-CB 4.43Å; L217-D221 HydrophobicContact CD2-CB 3.99Å; L217-D221 HydrophobicContact CG-CB 4.38Å; L217-K237 HydrophobicContact CD2-CB 4.47Å; L217-K237 HydrophobicContact CG-CB 4.34Å; L217-P239 HydrophobicContact CD1-CB 4.48Å
218	G	80.5	Confident	69	Low	27 Å²	27	82.9 Å²	82.9	28%	0.278	44%	0.443	S	S	.	.			trans	-67.6	172.7	169.2	0	0	0	0	0	111.4	S216 W220 D221 S222	S216-G218 PolarHBondContact O-N 3.45Å; G218-W220 VanDerWaalsContact C-N 3.31Å; G218-W220 PolarHBondContact O-N 2.97Å; G218-D221 PolarHBondContact N-OD2 2.96Å; G218-D221 VanDerWaalsContact N-OD2 3.1Å; G218-D221 PolarHBondContact O-N 3.07Å; G218-S222 WeakPolarHBondContact O-CB 3.29Å; G218-S222 PolarHBondContact O-N 2.02Å; G218-S222 PolarHBondContact O-OG 2.87Å
219	L	85	Confident	71.2	Confident	90 Å²	90	72.5 Å²	72.5	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175	-178.5	132	0	0	0	111.3	F194 S222 Y223	F194-L219 HydrophobicContact CD1-CD1 4.08Å; F194-L219 HydrophobicContact CD2-CB 3.92Å; F194-L219 HydrophobicContact CE1-CD1 4.22Å; F194-L219 HydrophobicContact CE2-CB 4.04Å; F194-L219 HydrophobicContact CG-CB 4.26Å; F194-L219 HydrophobicContact CG-CD1 4.35Å; F194-L219 HydrophobicContact CZ-CB 4.47Å; L219-S222 PolarHBondContact O-N 3.34Å; L219-Y223 HydrophobicContact CD1-CE2 4.43Å; L219-Y223 HydrophobicContact CD2-CD2 3.95Å; L219-Y223 HydrophobicContact CD2-CE2 3.74Å; L219-Y223 HydrophobicContact CG-CD2 4.13Å; L219-Y223 HydrophobicContact CG-CE2 3.83Å; L219-Y223 WeakPolarHBondContact O-CD2 3.46Å; L219-Y223 PolarHBondContact O-N 3.2Å; L219-Y223 VanDerWaalsContact O-N 3.12Å
220	W	85.8	Confident	73.1	Confident	195 Å²	195	67 Å²	67	74%	0.739	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-45.7	175.5	-176.2	-110.5	0	0	0	112.5	G218 S222 Y223 V224	G218-W220 VanDerWaalsContact C-N 3.31Å; G218-W220 PolarHBondContact O-N 2.97Å; W220-S222 PolarHBondContact O-N 3.31Å; W220-Y223 PolarHBondContact O-N 3.37Å; W220-V224 HydrophobicContact CD2-CG2 4.13Å; W220-V224 HydrophobicContact CG-CG2 4.31Å; W220-V224 HydrophobicContact CZ2-CG2 4.06Å; W220-V224 WeakPolarHBondContact O-CG2 3.5Å; W220-V224 PolarHBondContact O-N 2.89Å
221	D	85	Confident	75.3	Confident	44 Å²	44	71 Å²	71	24%	0.235	38%	0.38	C	S	.	.	H	α-helix	trans	-58.7	-37.8	176.9	-65.1	-51.9	0	0	0	111.4	L217 G218 V224 Y225 K237	L217-D221 HydrophobicContact CB-CB 4.43Å; L217-D221 HydrophobicContact CD2-CB 3.99Å; L217-D221 HydrophobicContact CG-CB 4.38Å; G218-D221 PolarHBondContact N-OD2 2.96Å; G218-D221 VanDerWaalsContact N-OD2 3.1Å; G218-D221 PolarHBondContact O-N 3.07Å; D221-V224 PolarHBondContact O-N 2.76Å; D221-Y225 VanDerWaalsContact O-CB 3.29Å; D221-Y225 WeakPolarHBondContact O-CB 3.01Å; D221-Y225 PolarHBondContact O-N 2.99Å; D221-K237 HydrophobicContact CB-CD 4.27Å; D221-K237 IonicContact OD1-NZ 3.66Å; D221-K237 PolarHBondContact OD1-NZ 2.78Å; D221-K237 IonicContact OD2-NZ 3.69Å; D221-K237 PolarHBondContact OD2-NZ 3.06Å
222	S	86.3	Confident	77.3	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-65.8	-43.9	178.5	-57.5	0	0	0	0	111.6	G218 L219 W220 Y225 V226	G218-S222 WeakPolarHBondContact O-CB 3.29Å; G218-S222 PolarHBondContact O-N 2.02Å; G218-S222 PolarHBondContact O-OG 2.87Å; L219-S222 PolarHBondContact O-N 3.34Å; W220-S222 PolarHBondContact O-N 3.31Å; S222-Y225 WeakPolarHBondContact O-CB 3Å; S222-Y225 PolarHBondContact O-N 3.49Å; S222-V226 WeakPolarHBondContact O-CG2 3.31Å; S222-V226 PolarHBondContact O-N 3.17Å; S222-V226 VanDerWaalsContact O-N 3.14Å
223	Y	88.7	Confident	78.9	Confident	40 Å²	40	71 Å²	71	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-65.6	-46.4	174	-78.2	-61.6	0	0	0	112	L187 S191 L219 W220 Y225 V226 F227	L187-Y223 HydrophobicContact CD2-CE1 3.98Å; S191-Y223 PolarHBondContact OG-OH 2.86Å; L219-Y223 HydrophobicContact CD1-CE2 4.43Å; L219-Y223 HydrophobicContact CD2-CD2 3.95Å; L219-Y223 HydrophobicContact CD2-CE2 3.74Å; L219-Y223 HydrophobicContact CG-CD2 4.13Å; L219-Y223 HydrophobicContact CG-CE2 3.83Å; L219-Y223 WeakPolarHBondContact O-CD2 3.46Å; L219-Y223 PolarHBondContact O-N 3.2Å; L219-Y223 VanDerWaalsContact O-N 3.12Å; W220-Y223 PolarHBondContact O-N 3.37Å; Y223-Y225 VanDerWaalsContact C-N 3.27Å; Y223-Y225 PolarHBondContact O-N 3.3Å; Y223-V226 PolarHBondContact O-N 2.75Å; Y223-F227 WeakPolarHBondContact O-CB 3.39Å; Y223-F227 WeakPolarHBondContact O-CD2 3.35Å; Y223-F227 PolarHBondContact O-N 2.92Å
224	V	86.9	Confident	80.3	Confident	44 Å²	44	69.5 Å²	69.5	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-58.4	-41.6	177.1	172.4	0	0	0	0	110.6	W220 D221 V226 F227 M228	W220-V224 HydrophobicContact CD2-CG2 4.13Å; W220-V224 HydrophobicContact CG-CG2 4.31Å; W220-V224 HydrophobicContact CZ2-CG2 4.06Å; W220-V224 WeakPolarHBondContact O-CG2 3.5Å; W220-V224 PolarHBondContact O-N 2.89Å; D221-V224 PolarHBondContact O-N 2.76Å; V224-V226 PolarHBondContact O-N 2.71Å; V224-F227 PolarHBondContact O-N 3.31Å; V224-M228 HydrophobicContact CG1-CE 4.43Å; V224-M228 HydrophobicContact CG1-CG 4.18Å; V224-M228 WeakPolarHBondContact O-CB 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.37Å; V224-M228 PolarHBondContact O-N 2.98Å
225	Y	86.9	Confident	81.4	Confident	18 Å²	18	65 Å²	65	7%	0.071	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-50.2	175.4	-174.1	-80.4	0	0	0	112.1	L193 D221 S222 Y223 M228 G229 S235 K237 L238 T248	L193-Y225 HydrophobicContact CD2-CD1 3.85Å; L193-Y225 HydrophobicContact CD2-CG 4.16Å; D221-Y225 VanDerWaalsContact O-CB 3.29Å; D221-Y225 WeakPolarHBondContact O-CB 3.01Å; D221-Y225 PolarHBondContact O-N 2.99Å; S222-Y225 WeakPolarHBondContact O-CB 3Å; S222-Y225 PolarHBondContact O-N 3.49Å; Y223-Y225 VanDerWaalsContact C-N 3.27Å; Y223-Y225 PolarHBondContact O-N 3.3Å; Y225-M228 PolarHBondContact O-N 3.44Å; Y225-G229 PolarHBondContact O-N 3.49Å; Y225-G229 VanDerWaalsContact O-N 3.08Å; Y225-S235 VanDerWaalsContact CD2-CB 3.46Å; Y225-K237 WeakPolarHBondContact CD2-O 3.33Å; Y225-K237 VanDerWaalsContact CE2-O 3.28Å; Y225-K237 WeakPolarHBondContact CE2-O 3.41Å; Y225-L238 HydrophobicContact CE2-CD2 4.31Å; Y225-T248 HydrophobicContact CD1-CG2 3.94Å; Y225-T248 HydrophobicContact CE1-CG2 3.23Å
226	V	88.7	Confident	82.2	Confident	3 Å²	3	72 Å²	72	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-65.1	-42.4	-179.5	168.4	0	0	0	0	111.3	T186 T189 L193 S222 Y223 V224 G229 L230 W251	T186-V226 HydrophobicContact CG2-CG1 4.42Å; T189-V226 WeakPolarHBondContact OG1-CG1 3.36Å; L193-V226 HydrophobicContact CD2-CG2 4.19Å; S222-V226 WeakPolarHBondContact O-CG2 3.31Å; S222-V226 PolarHBondContact O-N 3.17Å; S222-V226 VanDerWaalsContact O-N 3.14Å; Y223-V226 PolarHBondContact O-N 2.75Å; V224-V226 PolarHBondContact O-N 2.71Å; V226-G229 PolarHBondContact O-N 3.42Å; V226-L230 PolarHBondContact O-N 2.88Å; V226-W251 HydrophobicContact CG1-CD2 4.22Å; V226-W251 VanDerWaalsContact CG1-CE2 3.46Å; V226-W251 HydrophobicContact CG1-CH2 4.1Å; V226-W251 HydrophobicContact CG1-CZ2 3.38Å; V226-W251 PolarHBondContact O-NE1 3.35Å
227	F	86.7	Confident	82.9	Confident	96 Å²	96	70.8 Å²	70.8	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-43.3	175.2	-87.1	-70.4	0	0	0	112.4	Y223 V224 G229 L230 F231	Y223-F227 WeakPolarHBondContact O-CB 3.39Å; Y223-F227 WeakPolarHBondContact O-CD2 3.35Å; Y223-F227 PolarHBondContact O-N 2.92Å; V224-F227 PolarHBondContact O-N 3.31Å; F227-G229 VanDerWaalsContact C-N 3.25Å; F227-G229 PolarHBondContact O-N 3.07Å; F227-L230 HydrophobicContact CD1-CD1 4.3Å; F227-L230 WeakPolarHBondContact O-CB 3.3Å; F227-L230 PolarHBondContact O-N 3.4Å; F227-L230 VanDerWaalsContact O-N 3.13Å; F227-F231 WeakPolarHBondContact O-CD2 3.01Å
228	M	86.3	Confident	83.4	Confident	66 Å²	66	75.9 Å²	75.9	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-34.7	176.1	-71.7	-63.9	-177.1	0	0	112	V224 Y225 L230 F231 L232 Q233	V224-M228 HydrophobicContact CG1-CE 4.43Å; V224-M228 HydrophobicContact CG1-CG 4.18Å; V224-M228 WeakPolarHBondContact O-CB 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.37Å; V224-M228 PolarHBondContact O-N 2.98Å; Y225-M228 PolarHBondContact O-N 3.44Å; M228-L230 VanDerWaalsContact C-N 3.3Å; M228-L230 PolarHBondContact O-N 3.16Å; M228-F231 CarbonylContact O-C 3.44Å; M228-F231 PolarHBondContact O-N 3.49Å; M228-L232 PolarHBondContact O-N 3.44Å; M228-Q233 CarbonylContact C-O 3.5Å; M228-Q233 HydrophobicContact CB-CB 4.31Å; M228-Q233 WeakPolarHBondContact CB-O 3.07Å; M228-Q233 PolarHBondContact O-N 2.93Å; M228-Q233 HydrophobicContact SD-CB 4.04Å; M228-Q233 PolarHBondContact SD-OE1 3.23Å; M228-Q233 VanDerWaalsContact SD-OE1 3.41Å
229	G	82.6	Confident	83.4	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-35.5	173.3	0	0	0	0	0	114	Y225 V226 F227 F231 L232	Y225-G229 PolarHBondContact O-N 3.49Å; Y225-G229 VanDerWaalsContact O-N 3.08Å; V226-G229 PolarHBondContact O-N 3.42Å; F227-G229 VanDerWaalsContact C-N 3.25Å; F227-G229 PolarHBondContact O-N 3.07Å; G229-F231 PolarHBondContact O-N 3.29Å; G229-L232 PolarHBondContact O-N 2.84Å; G229-L232 VanDerWaalsContact O-N 3.12Å
230	L	84.7	Confident	83.2	Confident	40 Å²	40	74.9 Å²	74.9	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-27	174.8	-74	173.8	0	0	0	113	I182 T186 V226 F227 M228 W251 I259	I182-L230 HydrophobicContact CG2-CD2 4.22Å; T186-L230 HydrophobicContact CG2-CD1 3.4Å; T186-L230 VanDerWaalsContact CG2-CD1 3.4Å; T186-L230 HydrophobicContact CG2-CD2 4.45Å; T186-L230 HydrophobicContact CG2-CG 4.16Å; V226-L230 PolarHBondContact O-N 2.88Å; F227-L230 HydrophobicContact CD1-CD1 4.3Å; F227-L230 WeakPolarHBondContact O-CB 3.3Å; F227-L230 PolarHBondContact O-N 3.4Å; F227-L230 VanDerWaalsContact O-N 3.13Å; M228-L230 VanDerWaalsContact C-N 3.3Å; M228-L230 PolarHBondContact O-N 3.16Å; L230-W251 HydrophobicContact CD2-CH2 4.3Å; L230-W251 HydrophobicContact CD2-CZ2 3.88Å; L230-W251 HydrophobicContact CG-CZ2 3.89Å; L230-I259 WeakPolarHBondContact O-CD1 3.15Å
231	F	83.5	Confident	83.1	Confident	148 Å²	148	66 Å²	66	65%	0.649	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	9.4	178.1	-64.4	-76.1	0	0	0	112.8	F227 M228 G229 Q233	F227-F231 WeakPolarHBondContact O-CD2 3.01Å; M228-F231 CarbonylContact O-C 3.44Å; M228-F231 PolarHBondContact O-N 3.49Å; G229-F231 PolarHBondContact O-N 3.29Å; F231-Q233 HydrophobicContact CB-CG 4.14Å; F231-Q233 PolarHBondContact O-N 3.43Å; F231-Q233 VanDerWaalsContact O-N 3.17Å
232	L	81.5	Confident	83	Confident	104 Å²	104	74.4 Å²	74.4	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	30	-172.5	-66.2	164.9	0	0	0	112.8	M228 G229 I259	M228-L232 PolarHBondContact O-N 3.44Å; G229-L232 PolarHBondContact O-N 2.84Å; G229-L232 VanDerWaalsContact O-N 3.12Å; L232-I259 HydrophobicContact CD1-CD1 3.53Å; L232-I259 HydrophobicContact CD2-CD1 4.31Å; L232-I259 HydrophobicContact CG-CD1 3.55Å
233	Q	83.4	Confident	82.9	Confident	113 Å²	113	75.4 Å²	75.4	53%	0.528	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-98.6	137.6	176.5	-68.2	-172	-6.6	0	0	110.3	M228 F231	M228-Q233 CarbonylContact C-O 3.5Å; M228-Q233 HydrophobicContact CB-CB 4.31Å; M228-Q233 WeakPolarHBondContact CB-O 3.07Å; M228-Q233 PolarHBondContact O-N 2.93Å; M228-Q233 HydrophobicContact SD-CB 4.04Å; M228-Q233 PolarHBondContact SD-OE1 3.23Å; M228-Q233 VanDerWaalsContact SD-OE1 3.41Å; F231-Q233 HydrophobicContact CB-CG 4.14Å; F231-Q233 PolarHBondContact O-N 3.43Å; F231-Q233 VanDerWaalsContact O-N 3.17Å
234	S	77.6	Confident	82.8	Confident	111 Å²	111	73.5 Å²	73.5	78%	0.776	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-78.8	129.9	176.4	58	0	0	0	0	110.8
235	S	76.6	Confident	82.8	Confident	27 Å²	27	74.8 Å²	74.8	19%	0.189	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-79.6	149.8	166.5	179.8	0	0	0	0	110.9	Y225 K237	Y225-S235 VanDerWaalsContact CD2-CB 3.46Å; S235-K237 VanDerWaalsContact C-N 3.27Å; S235-K237 PolarHBondContact O-N 3.45Å; S235-K237 PolarHBondContact OG-N 3.07Å
236	Y	74	Confident	82.9	Confident	240 Å²	240	76.6 Å²	76.6	94%	0.941	37%	0.371	S	S	*	.	S	Bend	trans	-68.4	-24	176.5	-62.4	-78.9	0	0	0	113.4
237	K	78.8	Confident	83	Confident	69 Å²	69	78 Å²	78	30%	0.3	38%	0.378	S	S	.	.	S	Bend	trans	-105.4	121	-179.8	-67.1	-178.9	-178.2	167.7	0	109.8	L217 D221 Y225 S235	L217-K237 HydrophobicContact CD2-CB 4.47Å; L217-K237 HydrophobicContact CG-CB 4.34Å; D221-K237 HydrophobicContact CB-CD 4.27Å; D221-K237 IonicContact OD1-NZ 3.66Å; D221-K237 PolarHBondContact OD1-NZ 2.78Å; D221-K237 IonicContact OD2-NZ 3.69Å; D221-K237 PolarHBondContact OD2-NZ 3.06Å; Y225-K237 WeakPolarHBondContact CD2-O 3.33Å; Y225-K237 VanDerWaalsContact CE2-O 3.28Å; Y225-K237 WeakPolarHBondContact CE2-O 3.41Å; S235-K237 VanDerWaalsContact C-N 3.27Å; S235-K237 PolarHBondContact O-N 3.45Å; S235-K237 PolarHBondContact OG-N 3.07Å
238	L	81.4	Confident	83	Confident	118 Å²	118	73.9 Å²	73.9	62%	0.618	36%	0.361	S	S	*	.			trans	-98.9	143.6	177.9	-69.6	162.5	0	0	0	110.8	Y225	Y225-L238 HydrophobicContact CE2-CD2 4.31Å
239	P	81.2	Confident	83.2	Confident	10 Å²	10	76.4 Å²	76.4	7%	0.065	38%	0.375	C	S	.	.			trans	-64.3	143.1	171.2	30.9	-37.2	0	0	0	110.2	L193 E197 L217 I245 T248	L193-P239 HydrophobicContact CD1-CB 4.02Å; E197-P239 WeakPolarHBondContact OE1-CA 3.39Å; E197-P239 WeakPolarHBondContact OE1-CB 3.47Å; L217-P239 HydrophobicContact CD1-CB 4.48Å; P239-I245 HydrophobicContact CG-CG1 4.33Å; P239-T248 HydrophobicContact CG-CG2 3.82Å
240	K	80.4	Confident	83.6	Confident	85 Å²	85	83.9 Å²	83.9	37%	0.37	41%	0.408	S	S	.	.			trans	-114.4	-19	-179.2	-64.9	-178.4	-177.2	175.6	0	112.4	E197 E214	E197-K240 PolarHBondContact OE1-N 3.13Å; E214-K240 WeakPolarHBondContact OE2-CE 3.27Å; E214-K240 IonicContact OE2-NZ 3.69Å; E214-K240 PolarHBondContact OE2-NZ 2.95Å
241	S	83.2	Confident	84	Confident	10 Å²	10	82.4 Å²	82.4	7%	0.07	40%	0.399	C	S	.	.	S	Bend	trans	-70	142.1	172.7	66.7	0	0	0	0	110	E197 G243 G244 I245	E197-S241 VanDerWaalsContact OE1-CB 3.27Å; E197-S241 WeakPolarHBondContact OE1-CB 3.27Å; E197-S241 PolarHBondContact OE1-N 2.89Å; E197-S241 PolarHBondContact OE1-OG 2.8Å; S241-G243 PolarHBondContact O-N 3.29Å; S241-G244 PolarHBondContact O-N 2.86Å; S241-G244 VanDerWaalsContact O-N 3.13Å; S241-G244 WeakPolarHBondContact OG-CA 3.35Å; S241-G244 PolarHBondContact OG-N 2.85Å; S241-I245 WeakPolarHBondContact O-CG1 3.02Å; S241-I245 PolarHBondContact O-N 2.78Å
242	W	83.3	Confident	84.3	Confident	219 Å²	219	78.6 Å²	78.6	83%	0.83	38%	0.383	S	S	*	.	H	α-helix	trans	-57.1	-40	174.1	-100.7	83.8	0	0	0	111.7	I245 T246	W242-I245 PolarHBondContact O-N 2.79Å; W242-T246 WeakPolarHBondContact O-CG2 3.41Å; W242-T246 PolarHBondContact O-N 3.01Å; W242-T246 PolarHBondContact O-OG1 3.25Å
243	G	85.5	Confident	84.8	Confident	21 Å²	21	76 Å²	76	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-37.5	175.1	0	0	0	0	0	113.6	S241 T246 I247	S241-G243 PolarHBondContact O-N 3.29Å; G243-T246 PolarHBondContact O-OG1 3.09Å; G243-I247 WeakPolarHBondContact O-CG1 3.46Å; G243-I247 PolarHBondContact O-N 2.78Å; G243-I247 VanDerWaalsContact O-N 3.14Å
244	G	85.6	Confident	85.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-42.8	173.7	0	0	0	0	0	112.2	S241 T246 I247 T248	S241-G244 PolarHBondContact O-N 2.86Å; S241-G244 VanDerWaalsContact O-N 3.13Å; S241-G244 WeakPolarHBondContact OG-CA 3.35Å; S241-G244 PolarHBondContact OG-N 2.85Å; G244-T246 PolarHBondContact O-N 2.75Å; G244-I247 PolarHBondContact O-N 3Å; G244-T248 WeakPolarHBondContact O-CB 3.32Å; G244-T248 VanDerWaalsContact O-CG2 3.23Å; G244-T248 WeakPolarHBondContact O-CG2 2.96Å; G244-T248 PolarHBondContact O-N 3.46Å; G244-T248 PolarHBondContact O-OG1 3.34Å
245	I	86.4	Confident	85.8	Confident	71 Å²	71	68.5 Å²	68.5	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-44.9	177.2	-65.8	165.2	0	0	0	110.9	P239 S241 W242 T248 L249	P239-I245 HydrophobicContact CG-CG1 4.33Å; S241-I245 WeakPolarHBondContact O-CG1 3.02Å; S241-I245 PolarHBondContact O-N 2.78Å; W242-I245 PolarHBondContact O-N 2.79Å; I245-T248 WeakPolarHBondContact CA-OG1 3.18Å; I245-T248 PolarHBondContact O-N 2.93Å; I245-T248 PolarHBondContact O-OG1 2.82Å; I245-L249 HydrophobicContact CG2-CD1 4.32Å; I245-L249 WeakPolarHBondContact O-CG 3.25Å; I245-L249 PolarHBondContact O-N 3.13Å
246	T	89.5	Confident	86.6	Confident	57 Å²	57	71.5 Å²	71.5	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-45.6	179.7	52.9	0	0	0	0	112.2	W242 G243 G244 T248 L249 F250	W242-T246 WeakPolarHBondContact O-CG2 3.41Å; W242-T246 PolarHBondContact O-N 3.01Å; W242-T246 PolarHBondContact O-OG1 3.25Å; G243-T246 PolarHBondContact O-OG1 3.09Å; G244-T246 PolarHBondContact O-N 2.75Å; T246-T248 VanDerWaalsContact C-N 3.32Å; T246-T248 PolarHBondContact O-N 3.34Å; T246-L249 PolarHBondContact O-N 3.05Å; T246-F250 VanDerWaalsContact O-CD2 3.23Å; T246-F250 WeakPolarHBondContact O-CD2 3.33Å; T246-F250 PolarHBondContact O-N 2.86Å
247	I	90.6	Very high	87.4	Confident	33 Å²	33	65.5 Å²	65.5	17%	0.169	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-39.9	178.6	-74.4	173	0	0	0	111.6	L192 F196 G243 G244 L249 F250 W251	L192-I247 HydrophobicContact CB-CD1 4.17Å; F196-I247 HydrophobicContact CD2-CD1 3.33Å; F196-I247 HydrophobicContact CE2-CD1 3.03Å; F196-I247 HydrophobicContact CE2-CG1 4.42Å; F196-I247 HydrophobicContact CZ-CD1 4.04Å; G243-I247 WeakPolarHBondContact O-CG1 3.46Å; G243-I247 PolarHBondContact O-N 2.78Å; G243-I247 VanDerWaalsContact O-N 3.14Å; G244-I247 PolarHBondContact O-N 3Å; I247-L249 VanDerWaalsContact C-N 3.33Å; I247-L249 PolarHBondContact O-N 3.34Å; I247-F250 PolarHBondContact O-N 3.39Å; I247-W251 VanDerWaalsContact O-CB 3.28Å; I247-W251 WeakPolarHBondContact O-CB 3.49Å; I247-W251 PolarHBondContact O-N 3.34Å
248	T	87.9	Confident	88	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-34.4	178.4	52.3	0	0	0	0	112.3	L193 Y225 P239 G244 I245 T246 W251 H252	L193-T248 HydrophobicContact CD1-CG2 3.71Å; L193-T248 HydrophobicContact CD2-CG2 4.17Å; Y225-T248 HydrophobicContact CD1-CG2 3.94Å; Y225-T248 HydrophobicContact CE1-CG2 3.23Å; P239-T248 HydrophobicContact CG-CG2 3.82Å; G244-T248 WeakPolarHBondContact O-CB 3.32Å; G244-T248 VanDerWaalsContact O-CG2 3.23Å; G244-T248 WeakPolarHBondContact O-CG2 2.96Å; G244-T248 PolarHBondContact O-N 3.46Å; G244-T248 PolarHBondContact O-OG1 3.34Å; I245-T248 WeakPolarHBondContact CA-OG1 3.18Å; I245-T248 PolarHBondContact O-N 2.93Å; I245-T248 PolarHBondContact O-OG1 2.82Å; T246-T248 VanDerWaalsContact C-N 3.32Å; T246-T248 PolarHBondContact O-N 3.34Å; T248-W251 PolarHBondContact O-N 3.32Å; T248-H252 PolarHBondContact O-N 3.24Å; T248-H252 PolarHBondContact O-ND1 3Å
249	L	89.7	Confident	88.4	Confident	118 Å²	118	60.7 Å²	60.7	62%	0.618	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-48	170.7	-73.1	172.1	0	0	0	112	I245 T246 I247 W251 H252 A253	I245-L249 HydrophobicContact CG2-CD1 4.32Å; I245-L249 WeakPolarHBondContact O-CG 3.25Å; I245-L249 PolarHBondContact O-N 3.13Å; T246-L249 PolarHBondContact O-N 3.05Å; I247-L249 VanDerWaalsContact C-N 3.33Å; I247-L249 PolarHBondContact O-N 3.34Å; L249-W251 VanDerWaalsContact C-N 3.28Å; L249-W251 PolarHBondContact O-N 3.19Å; L249-H252 PolarHBondContact O-N 3.35Å; L249-A253 PolarHBondContact O-N 2.81Å
250	F	91.7	Very high	88.9	Confident	159 Å²	159	64.5 Å²	64.5	70%	0.697	32%	0.323	S	S	*	.	H	α-helix	trans	-60.7	-39.2	175.4	-82.5	-70.3	0	0	0	112	T246 I247 A253 F254	T246-F250 VanDerWaalsContact O-CD2 3.23Å; T246-F250 WeakPolarHBondContact O-CD2 3.33Å; T246-F250 PolarHBondContact O-N 2.86Å; I247-F250 PolarHBondContact O-N 3.39Å; F250-A253 PolarHBondContact O-N 3.04Å; F250-F254 WeakPolarHBondContact O-CB 3.36Å; F250-F254 PolarHBondContact O-N 3.02Å
251	W	92.6	Very high	89.4	Confident	9 Å²	9	62.5 Å²	62.5	3%	0.034	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-45.8	177.3	-177.2	-112.5	0	0	0	112.3	T186 T189 V226 L230 I247 T248 L249 A253 F254 C255	T186-W251 HydrophobicContact CG2-CH2 3.55Å; T186-W251 HydrophobicContact CG2-CZ2 3.68Å; T189-W251 HydrophobicContact CG2-CD2 4.34Å; T189-W251 HydrophobicContact CG2-CE3 3.58Å; T189-W251 HydrophobicContact CG2-CZ3 3.89Å; V226-W251 HydrophobicContact CG1-CD2 4.22Å; V226-W251 VanDerWaalsContact CG1-CE2 3.46Å; V226-W251 HydrophobicContact CG1-CH2 4.1Å; V226-W251 HydrophobicContact CG1-CZ2 3.38Å; V226-W251 PolarHBondContact O-NE1 3.35Å; L230-W251 HydrophobicContact CD2-CH2 4.3Å; L230-W251 HydrophobicContact CD2-CZ2 3.88Å; L230-W251 HydrophobicContact CG-CZ2 3.89Å; I247-W251 VanDerWaalsContact O-CB 3.28Å; I247-W251 WeakPolarHBondContact O-CB 3.49Å; I247-W251 PolarHBondContact O-N 3.34Å; T248-W251 PolarHBondContact O-N 3.32Å; L249-W251 VanDerWaalsContact C-N 3.28Å; L249-W251 PolarHBondContact O-N 3.19Å; W251-A253 PolarHBondContact O-N 3.17Å; W251-F254 HydrophobicContact CE3-CD1 4.09Å; W251-F254 HydrophobicContact CH2-CD1 4.37Å; W251-F254 HydrophobicContact CH2-CE1 4.45Å; W251-F254 AromaticContact CZ3-CD1 3.8Å; W251-F254 HydrophobicContact CZ3-CD1 3.8Å; W251-F254 HydrophobicContact CZ3-CE1 4.11Å; W251-F254 PolarHBondContact O-N 3.44Å; W251-C255 PolarHBondContact NE1-SG 2.01Å; W251-C255 WeakPolarHBondContact O-CB 3.1Å; W251-C255 PolarHBondContact O-N 3.43Å; W251-C255 PolarHBondContact O-SG 2.96Å
252	H	89.8	Confident	89.7	Confident	67 Å²	67	64.9 Å²	64.9	31%	0.31	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-40.3	177.2	-78.3	79.9	0	0	0	111.9	T248 L249 C255 L256	T248-H252 PolarHBondContact O-N 3.24Å; T248-H252 PolarHBondContact O-ND1 3Å; L249-H252 PolarHBondContact O-N 3.35Å; H252-C255 PolarHBondContact O-N 3.44Å; H252-L256 WeakPolarHBondContact O-CB 3.24Å; H252-L256 PolarHBondContact O-N 2.98Å
253	A	90.9	Very high	89.9	Confident	51 Å²	51	56.9 Å²	56.9	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-43.6	174.9	0	0	0	0	0	111.7	L249 F250 W251 L256 I257	L249-A253 PolarHBondContact O-N 2.81Å; F250-A253 PolarHBondContact O-N 3.04Å; W251-A253 PolarHBondContact O-N 3.17Å; A253-L256 PolarHBondContact O-N 3.35Å; A253-I257 WeakPolarHBondContact O-CG1 3.45Å; A253-I257 PolarHBondContact O-N 3.5Å; A253-I257 VanDerWaalsContact O-N 3.16Å
254	F	92	Very high	90	Very high	65 Å²	65	60.9 Å²	60.9	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-48.4	174.9	176.7	-98.8	0	0	0	111.9	Y185 F250 W251 L256 I257 C258	Y185-F254 HydrophobicContact CD2-CE1 4.13Å; Y185-F254 HydrophobicContact CD2-CE2 4.06Å; Y185-F254 AromaticContact CD2-CZ 3.56Å; Y185-F254 HydrophobicContact CD2-CZ 3.56Å; Y185-F254 HydrophobicContact CE2-CE2 4.2Å; Y185-F254 HydrophobicContact CE2-CZ 4.09Å; F250-F254 WeakPolarHBondContact O-CB 3.36Å; F250-F254 PolarHBondContact O-N 3.02Å; W251-F254 HydrophobicContact CE3-CD1 4.09Å; W251-F254 HydrophobicContact CH2-CD1 4.37Å; W251-F254 HydrophobicContact CH2-CE1 4.45Å; W251-F254 AromaticContact CZ3-CD1 3.8Å; W251-F254 HydrophobicContact CZ3-CD1 3.8Å; W251-F254 HydrophobicContact CZ3-CE1 4.11Å; W251-F254 PolarHBondContact O-N 3.44Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 2.66Å; F254-I257 PolarHBondContact O-N 3.05Å; F254-C258 WeakPolarHBondContact CZ-SG 2.93Å; F254-C258 PolarHBondContact O-N 3.01Å; F254-C258 PolarHBondContact O-SG 2.85Å
255	C	91.6	Very high	89.9	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-43.6	178.2	-67.1	0	0	0	0	111.7	W251 H252 I257 C258 I259	W251-C255 PolarHBondContact NE1-SG 2.01Å; W251-C255 WeakPolarHBondContact O-CB 3.1Å; W251-C255 PolarHBondContact O-N 3.43Å; W251-C255 PolarHBondContact O-SG 2.96Å; H252-C255 PolarHBondContact O-N 3.44Å; C255-I257 PolarHBondContact O-N 3.46Å; C255-C258 PolarHBondContact O-N 3.36Å; C255-I259 WeakPolarHBondContact O-CD1 3.42Å; C255-I259 VanDerWaalsContact O-CG1 3.24Å; C255-I259 WeakPolarHBondContact O-CG1 3.44Å; C255-I259 PolarHBondContact O-N 2.9Å
256	L	91.8	Very high	89.7	Confident	89 Å²	89	59.7 Å²	59.7	47%	0.466	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-45.8	178	-175.7	153.1	0	0	0	111.6	H252 A253 F254 I259 I260	H252-L256 WeakPolarHBondContact O-CB 3.24Å; H252-L256 PolarHBondContact O-N 2.98Å; A253-L256 PolarHBondContact O-N 3.35Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 2.66Å; L256-I259 PolarHBondContact O-N 3.24Å; L256-I260 HydrophobicContact CD2-CD1 3.5Å; L256-I260 HydrophobicContact CD2-CG1 4.44Å; L256-I260 HydrophobicContact CG-CD1 4.37Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 3.36Å; L256-I260 VanDerWaalsContact O-N 3.08Å
257	I	92.6	Very high	89.2	Confident	114 Å²	114	59.3 Å²	59.3	59%	0.585	33%	0.326	S	S	*	.	H	α-helix	trans	-62.7	-44.9	177.3	-66.3	166.8	0	0	0	110.7	A253 F254 C255 I259 I260 A261	A253-I257 WeakPolarHBondContact O-CG1 3.45Å; A253-I257 PolarHBondContact O-N 3.5Å; A253-I257 VanDerWaalsContact O-N 3.16Å; F254-I257 PolarHBondContact O-N 3.05Å; C255-I257 PolarHBondContact O-N 3.46Å; I257-I259 PolarHBondContact O-N 3.31Å; I257-I260 PolarHBondContact O-N 3.35Å; I257-A261 WeakPolarHBondContact O-CB 3.38Å; I257-A261 PolarHBondContact O-N 3.42Å
258	C	90.8	Very high	88.4	Confident	24 Å²	24	61.8 Å²	61.8	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-41.8	178.4	-73.3	0	0	0	0	112.6	F254 C255 A261 Y262	F254-C258 WeakPolarHBondContact CZ-SG 2.93Å; F254-C258 PolarHBondContact O-N 3.01Å; F254-C258 PolarHBondContact O-SG 2.85Å; C255-C258 PolarHBondContact O-N 3.36Å; C258-A261 PolarHBondContact O-N 3.4Å; C258-Y262 VanDerWaalsContact O-CB 3.25Å; C258-Y262 WeakPolarHBondContact O-CB 2.83Å; C258-Y262 PolarHBondContact O-N 3.21Å
259	I	89.6	Confident	87.5	Confident	62 Å²	62	63.9 Å²	63.9	32%	0.318	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-43	178.8	-68.4	164.7	0	0	0	110.9	L230 L232 C255 L256 I257 Y262 A263	L230-I259 WeakPolarHBondContact O-CD1 3.15Å; L232-I259 HydrophobicContact CD1-CD1 3.53Å; L232-I259 HydrophobicContact CD2-CD1 4.31Å; L232-I259 HydrophobicContact CG-CD1 3.55Å; C255-I259 WeakPolarHBondContact O-CD1 3.42Å; C255-I259 VanDerWaalsContact O-CG1 3.24Å; C255-I259 WeakPolarHBondContact O-CG1 3.44Å; C255-I259 PolarHBondContact O-N 2.9Å; L256-I259 PolarHBondContact O-N 3.24Å; I257-I259 PolarHBondContact O-N 3.31Å; I259-Y262 PolarHBondContact O-N 2.91Å; I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 3Å
260	I	91	Very high	86.5	Confident	90 Å²	90	59.6 Å²	59.6	46%	0.462	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-47.6	176.4	-67.8	173.3	0	0	0	110.4	L256 I257 Y262 A263 I264	L256-I260 HydrophobicContact CD2-CD1 3.5Å; L256-I260 HydrophobicContact CD2-CG1 4.44Å; L256-I260 HydrophobicContact CG-CD1 4.37Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 3.36Å; L256-I260 VanDerWaalsContact O-N 3.08Å; I257-I260 PolarHBondContact O-N 3.35Å; I260-Y262 VanDerWaalsContact C-N 3.29Å; I260-Y262 PolarHBondContact O-N 3.12Å; I260-A263 PolarHBondContact O-N 3.29Å; I260-I264 HydrophobicContact CG2-CD1 3.91Å; I260-I264 WeakPolarHBondContact O-CG1 3.36Å; I260-I264 PolarHBondContact O-N 2.67Å
261	A	91.1	Very high	85.1	Confident	43 Å²	43	57.4 Å²	57.4	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-40	177.8	0	0	0	0	0	111.8	F174 I257 C258 I264 G265	F174-A261 HydrophobicContact CE1-CB 4.18Å; F174-A261 HydrophobicContact CZ-CB 4.01Å; I257-A261 WeakPolarHBondContact O-CB 3.38Å; I257-A261 PolarHBondContact O-N 3.42Å; C258-A261 PolarHBondContact O-N 3.4Å; A261-I264 PolarHBondContact O-N 3.17Å; A261-G265 PolarHBondContact O-N 3.33Å
262	Y	89.4	Confident	83.6	Confident	60 Å²	60	63.3 Å²	63.3	24%	0.235	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-42.5	176.2	-176.2	-96.9	0	0	0	112.2	F170 T173 F174 W179 C258 I259 I260 G265 T266	F170-Y262 WeakPolarHBondContact CB-OH 3.25Å; F170-Y262 VanDerWaalsContact O-CE2 3.31Å; F170-Y262 WeakPolarHBondContact O-CE2 3.4Å; F170-Y262 PolarHBondContact O-OH 3.36Å; T173-Y262 HydrophobicContact CG2-CE2 4.24Å; T173-Y262 VanDerWaalsContact OG1-CD2 3.28Å; T173-Y262 WeakPolarHBondContact OG1-CD2 3.34Å; T173-Y262 WeakPolarHBondContact OG1-CE2 3.42Å; F174-Y262 AromaticContact CD2-CD2 3.97Å; F174-Y262 HydrophobicContact CD2-CD2 3.97Å; F174-Y262 AromaticContact CE2-CD2 3.77Å; F174-Y262 HydrophobicContact CE2-CD2 3.77Å; F174-Y262 HydrophobicContact CE2-CG 4.3Å; F174-Y262 HydrophobicContact CZ-CD2 4.4Å; W179-Y262 HydrophobicContact CH2-CD2 4.17Å; W179-Y262 AromaticContact CH2-CE2 3.76Å; W179-Y262 HydrophobicContact CH2-CE2 3.76Å; W179-Y262 HydrophobicContact CZ2-CD2 4.26Å; W179-Y262 AromaticContact CZ2-CE2 3.73Å; W179-Y262 HydrophobicContact CZ2-CE2 3.73Å; C258-Y262 VanDerWaalsContact O-CB 3.25Å; C258-Y262 WeakPolarHBondContact O-CB 2.83Å; C258-Y262 PolarHBondContact O-N 3.21Å; I259-Y262 PolarHBondContact O-N 2.91Å; I260-Y262 VanDerWaalsContact C-N 3.29Å; I260-Y262 PolarHBondContact O-N 3.12Å; Y262-G265 PolarHBondContact O-N 3.44Å; Y262-T266 HydrophobicContact CD1-CG2 3.96Å; Y262-T266 HydrophobicContact CE1-CG2 3.47Å; Y262-T266 VanDerWaalsContact CE1-CG2 3.47Å; Y262-T266 HydrophobicContact CE2-CG2 4.27Å; Y262-T266 WeakPolarHBondContact O-CG2 3.22Å; Y262-T266 PolarHBondContact O-N 3.4Å; Y262-T266 PolarHBondContact O-OG1 3.43Å; Y262-T266 VanDerWaalsContact O-OG1 3.12Å
263	A	87.4	Confident	81.7	Confident	52 Å²	52	62.7 Å²	62.7	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-39.8	177.2	0	0	0	0	0	112.4	I259 I260 T266 S267	I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 3Å; I260-A263 PolarHBondContact O-N 3.29Å; A263-T266 WeakPolarHBondContact CA-OG1 3.21Å; A263-T266 PolarHBondContact O-OG1 3.25Å; A263-S267 PolarHBondContact O-N 3.36Å; A263-S267 VanDerWaalsContact O-N 3.17Å
264	I	87.3	Confident	79.6	Confident	105 Å²	105	62.3 Å²	62.3	54%	0.538	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-46.8	174.3	-65.3	167.1	0	0	0	109.8	I260 A261 T266 S267 V268	I260-I264 HydrophobicContact CG2-CD1 3.91Å; I260-I264 WeakPolarHBondContact O-CG1 3.36Å; I260-I264 PolarHBondContact O-N 2.67Å; A261-I264 PolarHBondContact O-N 3.17Å; I264-T266 PolarHBondContact O-N 3.47Å; I264-S267 PolarHBondContact O-N 3.26Å; I264-S267 PolarHBondContact O-OG 3.04Å; I264-V268 PolarHBondContact O-N 2.88Å
265	G	84.3	Confident	77.3	Confident	21 Å²	21	61.6 Å²	61.6	22%	0.216	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-42.6	178.8	0	0	0	0	0	113.8	A261 Y262 S267 V268 L269	A261-G265 PolarHBondContact O-N 3.33Å; Y262-G265 PolarHBondContact O-N 3.44Å; G265-S267 VanDerWaalsContact C-N 3.33Å; G265-S267 PolarHBondContact O-N 3.48Å; G265-V268 PolarHBondContact O-N 3.38Å; G265-L269 PolarHBondContact O-N 3.35Å
266	T	81.8	Confident	75.1	Confident	25 Å²	25	65.4 Å²	65.4	15%	0.153	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-40.9	178.6	48.2	0	0	0	0	110.8	T173 Y262 A263 I264 V268 L269 I270	T173-T266 VanDerWaalsContact CG2-CA 3.44Å; T173-T266 HydrophobicContact CG2-CG2 3.37Å; T173-T266 VanDerWaalsContact CG2-N 3.28Å; Y262-T266 HydrophobicContact CD1-CG2 3.96Å; Y262-T266 HydrophobicContact CE1-CG2 3.47Å; Y262-T266 VanDerWaalsContact CE1-CG2 3.47Å; Y262-T266 HydrophobicContact CE2-CG2 4.27Å; Y262-T266 WeakPolarHBondContact O-CG2 3.22Å; Y262-T266 PolarHBondContact O-N 3.4Å; Y262-T266 PolarHBondContact O-OG1 3.43Å; Y262-T266 VanDerWaalsContact O-OG1 3.12Å; A263-T266 WeakPolarHBondContact CA-OG1 3.21Å; A263-T266 PolarHBondContact O-OG1 3.25Å; I264-T266 PolarHBondContact O-N 3.47Å; T266-V268 VanDerWaalsContact C-N 3.34Å; T266-V268 PolarHBondContact O-N 3.47Å; T266-L269 PolarHBondContact O-N 2.95Å; T266-I270 WeakPolarHBondContact O-CB 3.48Å; T266-I270 WeakPolarHBondContact O-CD1 3.23Å; T266-I270 VanDerWaalsContact O-CG1 3.23Å; T266-I270 WeakPolarHBondContact O-CG1 3.49Å; T266-I270 PolarHBondContact O-N 3.19Å
267	S	78.9	Confident	72.7	Confident	48 Å²	48	64.3 Å²	64.3	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-46.5	179.3	74.3	0	0	0	0	111.8	A263 I264 G265 L269 I270 F271	A263-S267 PolarHBondContact O-N 3.36Å; A263-S267 VanDerWaalsContact O-N 3.17Å; I264-S267 PolarHBondContact O-N 3.26Å; I264-S267 PolarHBondContact O-OG 3.04Å; G265-S267 VanDerWaalsContact C-N 3.33Å; G265-S267 PolarHBondContact O-N 3.48Å; S267-L269 PolarHBondContact O-N 2.88Å; S267-I270 PolarHBondContact O-N 3.35Å; S267-F271 WeakPolarHBondContact O-CD2 2.82Å; S267-F271 PolarHBondContact O-N 2.81Å
268	V	73.8	Confident	70.3	Confident	86 Å²	86	64.1 Å²	64.1	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-43.1	179.1	177.1	0	0	0	0	111.7	I264 G265 T266 F271 K272	I264-V268 PolarHBondContact O-N 2.88Å; G265-V268 PolarHBondContact O-N 3.38Å; T266-V268 VanDerWaalsContact C-N 3.34Å; T266-V268 PolarHBondContact O-N 3.47Å; V268-F271 PolarHBondContact O-N 2.65Å; V268-K272 VanDerWaalsContact O-CB 3.22Å; V268-K272 WeakPolarHBondContact O-CB 3.47Å; V268-K272 PolarHBondContact O-N 2.9Å
269	L	70.4	Confident	68.1	Low	52 Å²	52	65.4 Å²	65.4	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-67.6	-41	-179.8	-72.2	178.9	0	0	0	112.8	T173 G265 T266 S267 F271 K272 Q273	T173-L269 HydrophobicContact CG2-CD1 3.72Å; G265-L269 PolarHBondContact O-N 3.35Å; T266-L269 PolarHBondContact O-N 2.95Å; S267-L269 PolarHBondContact O-N 2.88Å; L269-F271 PolarHBondContact O-N 3.27Å; L269-K272 PolarHBondContact O-N 2.76Å; L269-Q273 PolarHBondContact O-N 3.16Å
270	I	67.7	Low	66	Low	29 Å²	29	66.9 Å²	66.9	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-59.4	-37.8	178.8	-73.5	167.5	0	0	0	110.9	Y169 T266 S267 Q449	Y169-I270 HydrophobicContact CD2-CG1 4.43Å; Y169-I270 HydrophobicContact CE2-CD1 4.23Å; Y169-I270 HydrophobicContact CE2-CG1 3.8Å; T266-I270 WeakPolarHBondContact O-CB 3.48Å; T266-I270 WeakPolarHBondContact O-CD1 3.23Å; T266-I270 VanDerWaalsContact O-CG1 3.23Å; T266-I270 WeakPolarHBondContact O-CG1 3.49Å; T266-I270 PolarHBondContact O-N 3.19Å; S267-I270 PolarHBondContact O-N 3.35Å; I270-Q449 PolarHBondContact O-NE2 3.31Å
271	F	63.4	Low	64	Low	113 Å²	113	64.6 Å²	64.6	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-88.1	-34.3	-179.5	-63.9	-60.7	0	0	0	113.8	S267 V268 L269 Q273 Y274	S267-F271 WeakPolarHBondContact O-CD2 2.82Å; S267-F271 PolarHBondContact O-N 2.81Å; V268-F271 PolarHBondContact O-N 2.65Å; L269-F271 PolarHBondContact O-N 3.27Å; F271-Q273 VanDerWaalsContact C-N 3.32Å; F271-Q273 PolarHBondContact O-N 3.31Å; F271-Y274 PolarHBondContact O-N 3.18Å
272	K	59.5	Low	61.8	Low	132 Å²	132	65.2 Å²	65.2	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-65	-31.8	179.9	-173.1	172.9	-178.1	176.7	0	113.3	V268 L269 Y274 T275	V268-K272 VanDerWaalsContact O-CB 3.22Å; V268-K272 WeakPolarHBondContact O-CB 3.47Å; V268-K272 PolarHBondContact O-N 2.9Å; L269-K272 PolarHBondContact O-N 2.76Å; K272-Y274 PolarHBondContact O-N 3.19Å; K272-T275 PolarHBondContact O-N 2.49Å; K272-T275 PolarHBondContact O-OG1 3.27Å
273	Q	50.8	Low	59.5	Low	54 Å²	54	66.5 Å²	66.5	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-69.9	-13.8	-177.5	-159.2	168.1	20.2	0	0	113.9	N166 L269 F271 N277	N166-Q273 PolarHBondContact OD1-NE2 2.85Å; L269-Q273 PolarHBondContact O-N 3.16Å; F271-Q273 VanDerWaalsContact C-N 3.32Å; F271-Q273 PolarHBondContact O-N 3.31Å; Q273-N277 PolarHBondContact O-ND2 2.58Å
274	Y	45.6	Very low	57.8	Low	44 Å²	44	65.4 Å²	65.4	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-73.7	-37.2	175.7	-100	-95.2	0	0	0	112.7	F271 K272 D276 N277 I443 R446	F271-Y274 PolarHBondContact O-N 3.18Å; K272-Y274 PolarHBondContact O-N 3.19Å; Y274-D276 VanDerWaalsContact C-N 3.32Å; Y274-D276 PolarHBondContact O-N 2.97Å; Y274-N277 PolarHBondContact O-N 3.08Å; Y274-I443 HydrophobicContact CD1-CD1 3.99Å; Y274-I443 HydrophobicContact CD1-CG1 4.43Å; Y274-I443 HydrophobicContact CD1-CG2 4.02Å; Y274-I443 HydrophobicContact CD2-CG2 4.14Å; Y274-I443 HydrophobicContact CE1-CG2 3.54Å; Y274-I443 HydrophobicContact CE2-CG2 3.7Å; Y274-I443 HydrophobicContact CG-CD1 4.08Å; Y274-I443 HydrophobicContact CG-CG2 4.28Å; Y274-R446 WeakPolarHBondContact OH-CD 3.28Å; Y274-R446 WeakPolarHBondContact OH-CG 2.96Å; Y274-R446 PolarHBondContact OH-NE 3.24Å; Y274-R446 VanDerWaalsContact OH-NE 3.13Å
275	T	44.1	Very low	56	Low	50 Å²	50	60.9 Å²	60.9	31%	0.307	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-36.9	-178.9	52.4	0	0	0	0	111.9	K272 N277 L279 K439	K272-T275 PolarHBondContact O-N 2.49Å; K272-T275 PolarHBondContact O-OG1 3.27Å; T275-N277 VanDerWaalsContact C-N 3.34Å; T275-N277 PolarHBondContact O-N 3.08Å; T275-L279 VanDerWaalsContact O-CD1 3.25Å; T275-L279 WeakPolarHBondContact O-CD1 3.46Å; T275-L279 WeakPolarHBondContact O-CG 3.49Å; T275-L279 PolarHBondContact O-N 3.25Å; T275-K439 HydrophobicContact CG2-CG 4.43Å
276	D	45.7	Very low	54.3	Low	80 Å²	80	66 Å²	66	43%	0.428	34%	0.339	S	S	.	.	H	α-helix	trans	-74.7	-21.4	-178.4	-77	-12.4	0	0	0	113.8	Y274 K280	Y274-D276 VanDerWaalsContact C-N 3.32Å; Y274-D276 PolarHBondContact O-N 2.97Å; D276-K280 PolarHBondContact O-N 2.96Å
277	N	42.4	Very low	52.7	Low	67 Å²	67	66.7 Å²	66.7	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-76.2	-27.6	179.2	-83.5	-49.2	0	0	0	113	Q273 Y274 T275 K280	Q273-N277 PolarHBondContact O-ND2 2.58Å; Y274-N277 PolarHBondContact O-N 3.08Å; T275-N277 VanDerWaalsContact C-N 3.34Å; T275-N277 PolarHBondContact O-N 3.08Å; N277-K280 WeakPolarHBondContact O-CB 3.35Å
278	D	41.3	Very low	51.3	Low	110 Å²	110	73.6 Å²	73.6	59%	0.588	37%	0.372	S	S	*	.	H	α-helix	trans	-85.2	-25.7	173.1	-69	-25.2	0	0	0	111.5	K280	D278-K280 PolarHBondContact O-N 3.39Å
279	L	44	Very low	50.3	Low	51 Å²	51	76.9 Å²	76.9	27%	0.267	39%	0.387	S	S	.	.	S	Bend	trans	-77.9	9.9	171.1	-68.6	158.7	0	0	0	113.6	T275 Y281 H282	T275-L279 VanDerWaalsContact O-CD1 3.25Å; T275-L279 WeakPolarHBondContact O-CD1 3.46Å; T275-L279 WeakPolarHBondContact O-CG 3.49Å; T275-L279 PolarHBondContact O-N 3.25Å; L279-Y281 PolarHBondContact O-N 3.01Å; L279-H282 WeakPolarHBondContact CD2-CD2 3.35Å; L279-H282 WeakPolarHBondContact O-CB 3.26Å; L279-H282 PolarHBondContact O-N 3.49Å
280	K	47.1	Very low	49.9	Very low	93 Å²	93	77.1 Å²	77.1	40%	0.404	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-21.2	-168	-129.9	174.5	-178.8	174.8	0	116.2	D276 N277 D278	D276-K280 PolarHBondContact O-N 2.96Å; N277-K280 WeakPolarHBondContact O-CB 3.35Å; D278-K280 PolarHBondContact O-N 3.39Å
281	Y	48.6	Very low	49.8	Very low	41 Å²	41	77.9 Å²	77.9	16%	0.161	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-6.1	-174.3	-55.4	-71.4	0	0	0	114.4	I149 L279 P283 Y284 N351 I353	I149-Y281 HydrophobicContact CD1-CD1 4.07Å; I149-Y281 HydrophobicContact CG2-CD1 3.75Å; I149-Y281 HydrophobicContact CG2-CE1 3.66Å; I149-Y281 HydrophobicContact CG2-CG 4.26Å; L279-Y281 PolarHBondContact O-N 3.01Å; Y281-P283 VanDerWaalsContact C-CD 3.44Å; Y281-Y284 WeakPolarHBondContact O-CB 3.42Å; Y281-Y284 PolarHBondContact O-N 3.32Å; Y281-N351 HydrophobicContact CE2-CB 4.3Å; Y281-N351 PolarHBondContact OH-ND2 2.97Å; Y281-I353 HydrophobicContact CD2-CG1 4.23Å; Y281-I353 HydrophobicContact CG-CG1 4.02Å
282	H	44.4	Very low	50.3	Low	56 Å²	56	72.7 Å²	72.7	26%	0.259	37%	0.37	S	S	.	.	H	α-helix	trans	-51.1	-42.8	173.8	-101	-76.5	0	0	0	115	L279 Y284 L285 N286	L279-H282 WeakPolarHBondContact CD2-CD2 3.35Å; L279-H282 WeakPolarHBondContact O-CB 3.26Å; L279-H282 PolarHBondContact O-N 3.49Å; H282-Y284 PolarHBondContact O-N 3.35Å; H282-L285 PolarHBondContact O-N 3.33Å; H282-N286 PolarHBondContact O-N 2.89Å
283	P	42.1	Very low	51	Low	88 Å²	88	66.9 Å²	66.9	57%	0.571	34%	0.344	S	S	*	.	H	α-helix	trans	-67.7	-15.1	179.5	23	-31.5	0	0	0	113.8	Y281	Y281-P283 VanDerWaalsContact C-CD 3.44Å
284	Y	49.8	Very low	52	Low	28 Å²	28	64.4 Å²	64.4	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-79.7	-41.2	176.4	-73	-95.5	0	0	0	111.7	I149 N155 C156 Y281 H282 N286 S287 Q290	I149-Y284 HydrophobicContact CD1-CD1 4.38Å; I149-Y284 HydrophobicContact CD1-CG 4.31Å; N155-Y284 PolarHBondContact O-OH 3.46Å; C156-Y284 VanDerWaalsContact CA-OH 3.28Å; C156-Y284 WeakPolarHBondContact CA-OH 3.23Å; Y281-Y284 WeakPolarHBondContact O-CB 3.42Å; Y281-Y284 PolarHBondContact O-N 3.32Å; H282-Y284 PolarHBondContact O-N 3.35Å; Y284-N286 PolarHBondContact O-N 2.99Å; Y284-S287 PolarHBondContact O-N 3.12Å; Y284-S287 PolarHBondContact O-OG 3Å; Y284-Q290 PolarHBondContact O-OE1 3.06Å
285	L	50.8	Low	53.1	Low	11 Å²	11	64.1 Å²	64.1	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-36.6	177.6	-72.2	167.7	0	0	0	112.6	H282 S287 I292 F310 I329 I353 L355	H282-L285 PolarHBondContact O-N 3.33Å; L285-S287 VanDerWaalsContact C-N 3.26Å; L285-S287 PolarHBondContact O-N 2.86Å; L285-I292 HydrophobicContact CD2-CD1 4.08Å; L285-F310 HydrophobicContact CB-CE1 4.44Å; L285-F310 HydrophobicContact CB-CZ 4.16Å; L285-F310 HydrophobicContact CD2-CE2 4.38Å; L285-F310 HydrophobicContact CD2-CZ 4.38Å; L285-F310 WeakPolarHBondContact O-CE1 3.5Å; L285-I329 HydrophobicContact CD2-CD1 4.33Å; L285-I353 HydrophobicContact CD1-CG2 3.93Å; L285-L355 HydrophobicContact CD1-CD2 3.63Å
286	N	48.2	Very low	54.2	Low	127 Å²	127	62.3 Å²	62.3	68%	0.679	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6	-180	-81.8	-3.4	0	0	0	114.3	H282 Y284 Q288	H282-N286 PolarHBondContact O-N 2.89Å; Y284-N286 PolarHBondContact O-N 2.99Å; N286-Q288 PolarHBondContact O-N 3.1Å
287	S	48.9	Very low	55.1	Low	41 Å²	41	59.4 Å²	59.4	29%	0.287	31%	0.307	S	S	.	.			trans	-78.3	108.6	176.6	73.3	0	0	0	0	109.4	Y284 L285 N289 Q290	Y284-S287 PolarHBondContact O-N 3.12Å; Y284-S287 PolarHBondContact O-OG 3Å; L285-S287 VanDerWaalsContact C-N 3.26Å; L285-S287 PolarHBondContact O-N 2.86Å; S287-N289 PolarHBondContact O-N 3.27Å; S287-Q290 PolarHBondContact O-N 3.22Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-Q290 WeakPolarHBondContact OG-CG 3.47Å; S287-Q290 PolarHBondContact OG-NE2 3.27Å
288	Q	49.4	Very low	56.3	Low	193 Å²	193	57.2 Å²	57.2	90%	0.902	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-5.5	178.6	-71.1	-179.7	-21.9	0	0	114.8	N286	N286-Q288 PolarHBondContact O-N 3.1Å
289	N	52.6	Low	57.4	Low	154 Å²	154	55.8 Å²	55.8	82%	0.824	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	2.4	-174.4	-68.1	-12.3	0	0	0	114.3	S287	S287-N289 PolarHBondContact O-N 3.27Å
290	Q	62.3	Low	58.5	Low	57 Å²	57	53.9 Å²	53.9	27%	0.266	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-98.7	122.3	178.7	-74.7	-178.3	17.4	0	0	111.4	Y284 S287 I292	Y284-Q290 PolarHBondContact O-OE1 3.06Å; S287-Q290 PolarHBondContact O-N 3.22Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-Q290 WeakPolarHBondContact OG-CG 3.47Å; S287-Q290 PolarHBondContact OG-NE2 3.27Å; Q290-I292 PolarHBondContact O-N 3.34Å
291	T	65.6	Low	59.7	Low	45 Å²	45	49.7 Å²	49.7	28%	0.276	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-75.5	118.3	173.5	49.2	0	0	0	0	109.3	K313	T291-K313 HydrophobicContact CG2-CD 4.12Å; T291-K313 HydrophobicContact CG2-CG 4.47Å
292	I	73.3	Confident	60.9	Low	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.5	171.3	-63.9	-179.4	0	0	0	107.6	F147 L285 Q290 F310 S311 M312 K313 I329 L331	F147-I292 HydrophobicContact CD1-CG2 4.48Å; F147-I292 HydrophobicContact CE1-CD1 4.06Å; F147-I292 HydrophobicContact CE1-CG2 3.95Å; L285-I292 HydrophobicContact CD2-CD1 4.08Å; Q290-I292 PolarHBondContact O-N 3.34Å; I292-F310 HydrophobicContact CD1-CB 3.53Å; I292-F310 HydrophobicContact CD1-CD1 4.23Å; I292-F310 HydrophobicContact CD1-CD2 3.61Å; I292-F310 HydrophobicContact CD1-CE2 4.37Å; I292-F310 HydrophobicContact CD1-CG 3.54Å; I292-F310 HydrophobicContact CG1-CB 4.43Å; I292-S311 PolarHBondContact N-O 3.44Å; I292-M312 HydrophobicContact CB-CG 4.38Å; I292-M312 HydrophobicContact CG2-CE 4.29Å; I292-M312 HydrophobicContact CG2-CG 4.49Å; I292-M312 CarbonylContact O-C 3.54Å; I292-M312 VanDerWaalsContact O-CA 3.24Å; I292-M312 WeakPolarHBondContact O-CA 3.47Å; I292-K313 PolarHBondContact O-N 2.93Å; I292-I329 HydrophobicContact CG1-CB 4.38Å; I292-I329 HydrophobicContact CG1-CG2 4.23Å; I292-I329 HydrophobicContact CG2-CG2 4.35Å; I292-L331 HydrophobicContact CG2-CB 4.17Å
293	Y	73.6	Confident	62.2	Low	10 Å²	10	54.3 Å²	54.3	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.8	177.1	-66.5	-95	0	0	0	109.7	K313 I319 E323 M328 I329 I330 L331	Y293-K313 CarbonylContact C-O 3.52Å; Y293-K313 VanDerWaalsContact CA-O 3.27Å; Y293-K313 WeakPolarHBondContact CA-O 3.45Å; Y293-K313 HydrophobicContact CD1-CB 4.27Å; Y293-K313 HydrophobicContact CE1-CB 4.48Å; Y293-I319 HydrophobicContact CE1-CG1 4.39Å; Y293-E323 WeakPolarHBondContact OH-CG 3.46Å; Y293-E323 PolarHBondContact OH-OE2 3.13Å; Y293-M328 VanDerWaalsContact CB-CE 3.48Å; Y293-M328 HydrophobicContact CD1-CE 3.61Å; Y293-M328 HydrophobicContact CD2-CE 3.29Å; Y293-M328 HydrophobicContact CD2-CG 3.43Å; Y293-M328 VanDerWaalsContact CD2-CG 3.43Å; Y293-M328 HydrophobicContact CD2-SD 4.16Å; Y293-M328 HydrophobicContact CE1-CE 4.08Å; Y293-M328 HydrophobicContact CE2-CE 3.8Å; Y293-M328 HydrophobicContact CE2-CG 3.65Å; Y293-M328 HydrophobicContact CE2-SD 4.4Å; Y293-M328 HydrophobicContact CG-CE 3.16Å; Y293-M328 HydrophobicContact CG-CG 4.3Å; Y293-I329 PolarHBondContact N-O 2.89Å; Y293-I330 CarbonylContact O-C 3.56Å; Y293-I330 VanDerWaalsContact O-CA 3.27Å; Y293-I330 WeakPolarHBondContact O-CA 2.93Å; Y293-L331 PolarHBondContact O-N 2.85Å
294	C	73.1	Confident	63.5	Low	2 Å²	2	50.1 Å²	50.1	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	179.8	-168.6	0	0	0	0	110.3	C301 K313 V315	C294-C301 HydrophobicContact CB-CB 3.68Å; C294-C301 WeakPolarHBondContact CB-SG 3.47Å; C294-C301 VanDerWaalsContact SG-CA 3.51Å; C294-C301 WeakPolarHBondContact SG-CB 3.47Å; C294-C301 CovalentContact SG-SG 2.02Å; C294-C301 PolarHBondContact SG-SG 2.82Å; C294-K313 PolarHBondContact N-O 2.92Å; C294-V315 PolarHBondContact O-N 3.45Å
295	D	68.4	Low	64.7	Low	39 Å²	39	52.7 Å²	52.7	21%	0.209	27%	0.266	C	S	.	.			trans	-106.8	39.7	174.3	-162.8	25.6	0	0	0	110.6	V315 I330 L331 H336	D295-V315 HydrophobicContact CB-CG2 4.06Å; D295-I330 HydrophobicContact CB-CG2 4.19Å; D295-L331 PolarHBondContact N-O 3.47Å; D295-H336 IonicContact OD2-CE1 3.71Å; D295-H336 IonicContact OD2-NE2 3.88Å
296	L	67	Low	65.8	Low	11 Å²	11	60.5 Å²	60.5	6%	0.058	30%	0.299	C	S	.	.	S	Bend	trans	-124.8	177	177.5	-63.3	173.3	0	0	0	109.5	P145 L300 C301 L331 D333 M381	P145-L296 HydrophobicContact CB-CD1 3.99Å; P145-L296 HydrophobicContact CG-CD1 4.46Å; L296-L300 HydrophobicContact CB-CD2 4.1Å; L296-L300 HydrophobicContact CD1-CD2 3.61Å; L296-L300 HydrophobicContact CD1-CG 4.48Å; L296-L300 HydrophobicContact CG-CD2 4.33Å; L296-C301 PolarHBondContact O-SG 3.24Å; L296-L331 HydrophobicContact CD1-CD1 4.25Å; L296-L331 HydrophobicContact CD1-CD2 4.14Å; L296-L331 HydrophobicContact CD1-CG 3.75Å; L296-D333 HydrophobicContact CD2-CB 4.21Å; L296-M381 HydrophobicContact CD2-SD 4.31Å
297	N	65	Low	66.7	Low	19 Å²	19	57.2 Å²	57.2	10%	0.102	28%	0.279	C	S	.	.			trans	-52.6	132	174.1	-178.6	-30	0	0	0	110.4	N299 L300 C301 M381	N297-N299 PolarHBondContact O-N 2.82Å; N297-N299 PolarHBondContact OD1-N 3.11Å; N297-L300 HydrophobicContact CB-CB 4.31Å; N297-L300 CarbonylContact O-C 3.49Å; N297-L300 WeakPolarHBondContact O-CA 2.98Å; N297-L300 WeakPolarHBondContact O-CB 3.45Å; N297-L300 PolarHBondContact O-N 3.47Å; N297-C301 PolarHBondContact O-N 3.1Å; N297-C301 PolarHBondContact O-SG 2.96Å; N297-C301 VanDerWaalsContact O-SG 3.34Å; N297-M381 HydrophobicContact CB-CE 3.7Å
298	P	66.5	Low	67.5	Low	21 Å²	21	58 Å²	58	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-49.5	-34.6	178.1	-30.3	35.7	0	0	0	115.5	C301 K302 L314	P298-C301 PolarHBondContact O-N 2.9Å; P298-K302 WeakPolarHBondContact O-CB 3.23Å; P298-K302 VanDerWaalsContact O-CG 3.29Å; P298-K302 WeakPolarHBondContact O-CG 3.29Å; P298-K302 PolarHBondContact O-N 3.07Å; P298-L314 HydrophobicContact CB-CD1 4.22Å; P298-L314 HydrophobicContact CB-CD2 4.31Å; P298-L314 HydrophobicContact CG-CD1 4.29Å; P298-L314 HydrophobicContact CG-CD2 3.99Å
299	N	64.4	Low	68.3	Low	80 Å²	80	54.1 Å²	54.1	43%	0.428	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-38.2	176.3	-71.6	-9.9	0	0	0	111.7	N297 K302 Y303	N297-N299 PolarHBondContact O-N 2.82Å; N297-N299 PolarHBondContact OD1-N 3.11Å; N299-K302 PolarHBondContact O-N 2.83Å; N299-Y303 PolarHBondContact O-N 2.95Å
300	L	67.8	Low	69	Low	11 Å²	11	48.9 Å²	48.9	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-43.5	174.8	-173.9	66.1	0	0	0	110.7	P145 L296 N297 K302 Y303 F304 P379 M381	P145-L300 HydrophobicContact CG-CD2 4.19Å; L296-L300 HydrophobicContact CB-CD2 4.1Å; L296-L300 HydrophobicContact CD1-CD2 3.61Å; L296-L300 HydrophobicContact CD1-CG 4.48Å; L296-L300 HydrophobicContact CG-CD2 4.33Å; N297-L300 HydrophobicContact CB-CB 4.31Å; N297-L300 CarbonylContact O-C 3.49Å; N297-L300 WeakPolarHBondContact O-CA 2.98Å; N297-L300 WeakPolarHBondContact O-CB 3.45Å; N297-L300 PolarHBondContact O-N 3.47Å; L300-K302 VanDerWaalsContact C-N 3.28Å; L300-K302 PolarHBondContact O-N 3.28Å; L300-Y303 HydrophobicContact CD1-CD1 4.27Å; L300-Y303 WeakPolarHBondContact O-CA 3.39Å; L300-Y303 VanDerWaalsContact O-CB 3.31Å; L300-Y303 WeakPolarHBondContact O-CB 3.47Å; L300-Y303 PolarHBondContact O-N 3.31Å; L300-F304 HydrophobicContact CD1-CD2 4.02Å; L300-F304 HydrophobicContact CD1-CE2 3.6Å; L300-F304 HydrophobicContact CD2-CD2 4.41Å; L300-F304 HydrophobicContact CD2-CE2 3.85Å; L300-F304 HydrophobicContact CG-CD2 3.77Å; L300-F304 HydrophobicContact CG-CE2 3.57Å; L300-F304 VanDerWaalsContact O-CD2 3.25Å; L300-F304 WeakPolarHBondContact O-CD2 3.21Å; L300-F304 PolarHBondContact O-N 3.06Å; L300-P379 HydrophobicContact CD1-CB 4.43Å; L300-P379 HydrophobicContact CD1-CG 3.29Å; L300-M381 HydrophobicContact CB-CE 3.62Å; L300-M381 HydrophobicContact CD2-CE 3.11Å; L300-M381 HydrophobicContact CD2-CG 4.31Å; L300-M381 HydrophobicContact CD2-SD 3.3Å; L300-M381 WeakPolarHBondContact CD2-SD 3.39Å; L300-M381 HydrophobicContact CG-CE 3.89Å
301	C	71.3	Confident	69.4	Low	5 Å²	5	49.5 Å²	49.5	3%	0.034	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-44	174.3	-57.8	0	0	0	0	111.6	C294 L296 N297 P298 Y303 F304 E305 L314	C294-C301 HydrophobicContact CB-CB 3.68Å; C294-C301 WeakPolarHBondContact CB-SG 3.47Å; C294-C301 VanDerWaalsContact SG-CA 3.51Å; C294-C301 WeakPolarHBondContact SG-CB 3.47Å; C294-C301 CovalentContact SG-SG 2.02Å; C294-C301 PolarHBondContact SG-SG 2.82Å; L296-C301 PolarHBondContact O-SG 3.24Å; N297-C301 PolarHBondContact O-N 3.1Å; N297-C301 PolarHBondContact O-SG 2.96Å; N297-C301 VanDerWaalsContact O-SG 3.34Å; P298-C301 PolarHBondContact O-N 2.9Å; C301-Y303 VanDerWaalsContact C-N 3.33Å; C301-Y303 PolarHBondContact O-N 3.29Å; C301-F304 PolarHBondContact O-N 3.16Å; C301-E305 WeakPolarHBondContact O-CB 3.47Å; C301-E305 PolarHBondContact O-N 3.08Å; C301-L314 HydrophobicContact CB-CD2 4.47Å
302	K	73.9	Confident	69.7	Low	119 Å²	119	48.3 Å²	48.3	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-35.8	174.4	-75.5	174.8	-178.7	179.1	0	113	P298 N299 L300 K306	P298-K302 WeakPolarHBondContact O-CB 3.23Å; P298-K302 VanDerWaalsContact O-CG 3.29Å; P298-K302 WeakPolarHBondContact O-CG 3.29Å; P298-K302 PolarHBondContact O-N 3.07Å; N299-K302 PolarHBondContact O-N 2.83Å; L300-K302 VanDerWaalsContact C-N 3.28Å; L300-K302 PolarHBondContact O-N 3.28Å; K302-K306 WeakPolarHBondContact O-CB 3.33Å; K302-K306 WeakPolarHBondContact O-CG 3.39Å; K302-K306 PolarHBondContact O-N 3.06Å; K302-K306 VanDerWaalsContact O-N 3.07Å
303	Y	71.2	Confident	69.5	Low	75 Å²	75	51.6 Å²	51.6	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-46.1	173.2	172.9	-92.5	0	0	0	110.8	N299 L300 C301 K306 K307 P379	N299-Y303 PolarHBondContact O-N 2.95Å; L300-Y303 HydrophobicContact CD1-CD1 4.27Å; L300-Y303 WeakPolarHBondContact O-CA 3.39Å; L300-Y303 VanDerWaalsContact O-CB 3.31Å; L300-Y303 WeakPolarHBondContact O-CB 3.47Å; L300-Y303 PolarHBondContact O-N 3.31Å; C301-Y303 VanDerWaalsContact C-N 3.33Å; C301-Y303 PolarHBondContact O-N 3.29Å; Y303-K306 PolarHBondContact O-N 3.04Å; Y303-K307 HydrophobicContact CE1-CD 3.78Å; Y303-K307 VanDerWaalsContact O-CB 3.28Å; Y303-K307 WeakPolarHBondContact O-CB 3.43Å; Y303-K307 PolarHBondContact O-N 2.95Å; Y303-K307 VanDerWaalsContact OH-CD 3.29Å; Y303-K307 WeakPolarHBondContact OH-CD 3.48Å; Y303-K307 PolarHBondContact OH-NZ 3.23Å; Y303-K307 VanDerWaalsContact OH-NZ 3.17Å; Y303-P379 HydrophobicContact CD1-CG 4.24Å; Y303-P379 HydrophobicContact CE1-CG 4.18Å
304	F	70.7	Confident	69.1	Low	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-41.6	177.2	-82.5	-80.2	0	0	0	113.5	P145 L300 C301 K306 K307 F308 M312 L331 M378	P145-F304 HydrophobicContact CB-CE2 4Å; P145-F304 HydrophobicContact CB-CZ 3.69Å; P145-F304 HydrophobicContact CG-CE2 3.95Å; P145-F304 HydrophobicContact CG-CZ 3.76Å; L300-F304 HydrophobicContact CD1-CD2 4.02Å; L300-F304 HydrophobicContact CD1-CE2 3.6Å; L300-F304 HydrophobicContact CD2-CD2 4.41Å; L300-F304 HydrophobicContact CD2-CE2 3.85Å; L300-F304 HydrophobicContact CG-CD2 3.77Å; L300-F304 HydrophobicContact CG-CE2 3.57Å; L300-F304 VanDerWaalsContact O-CD2 3.25Å; L300-F304 WeakPolarHBondContact O-CD2 3.21Å; L300-F304 PolarHBondContact O-N 3.06Å; C301-F304 PolarHBondContact O-N 3.16Å; F304-K306 VanDerWaalsContact C-N 3.3Å; F304-K306 PolarHBondContact O-N 3.45Å; F304-K307 PolarHBondContact O-N 3.38Å; F304-F308 HydrophobicContact CB-CD2 4.49Å; F304-F308 AromaticContact CD1-CD2 3.56Å; F304-F308 HydrophobicContact CD1-CD2 3.56Å; F304-F308 AromaticContact CD1-CE2 3.37Å; F304-F308 HydrophobicContact CD1-CE2 3.37Å; F304-F308 HydrophobicContact CE1-CD2 4.23Å; F304-F308 AromaticContact CE1-CE2 3.57Å; F304-F308 HydrophobicContact CE1-CE2 3.57Å; F304-F308 HydrophobicContact CE1-CZ 4.44Å; F304-F308 HydrophobicContact CG-CD2 4.47Å; F304-F308 PolarHBondContact O-N 3.4Å; F304-M312 HydrophobicContact CB-CE 3.46Å; F304-M312 VanDerWaalsContact CB-CE 3.46Å; F304-M312 HydrophobicContact CB-SD 3.64Å; F304-M312 HydrophobicContact CG-CE 4.46Å; F304-L331 HydrophobicContact CB-CD2 3.91Å; F304-L331 HydrophobicContact CD1-CD2 4.11Å; F304-L331 HydrophobicContact CD2-CD2 3.68Å; F304-L331 HydrophobicContact CE2-CD2 4.29Å; F304-L331 HydrophobicContact CG-CD2 3.62Å; F304-M378 HydrophobicContact CE1-CE 3.39Å; F304-M378 HydrophobicContact CE1-CG 4.44Å; F304-M378 HydrophobicContact CZ-CE 3.38Å; F304-M378 HydrophobicContact CZ-CG 3.76Å; F304-M378 HydrophobicContact CZ-SD 4.07Å
305	E	74.4	Confident	68.5	Low	82 Å²	82	55.4 Å²	55.4	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-56.9	-45.2	175	178.3	174	-155.3	0	0	110.9	C301 S309 M312	C301-E305 WeakPolarHBondContact O-CB 3.47Å; C301-E305 PolarHBondContact O-N 3.08Å; E305-S309 VanDerWaalsContact O-CA 3.32Å; E305-S309 WeakPolarHBondContact O-CA 3.38Å; E305-S309 PolarHBondContact O-N 2.96Å; E305-M312 HydrophobicContact CB-CB 4.33Å; E305-M312 HydrophobicContact CB-CG 4.1Å; E305-M312 HydrophobicContact CB-SD 4.37Å
306	K	74	Confident	67.8	Low	175 Å²	175	57.6 Å²	57.6	76%	0.761	29%	0.291	S	S	*	.	H	α-helix	trans	-68.7	-45.2	176	-73.7	179.7	178.7	-174.5	0	113.1	K302 Y303 F304	K302-K306 WeakPolarHBondContact O-CB 3.33Å; K302-K306 WeakPolarHBondContact O-CG 3.39Å; K302-K306 PolarHBondContact O-N 3.06Å; K302-K306 VanDerWaalsContact O-N 3.07Å; Y303-K306 PolarHBondContact O-N 3.04Å; F304-K306 VanDerWaalsContact C-N 3.3Å; F304-K306 PolarHBondContact O-N 3.45Å
307	K	68	Low	67.1	Low	59 Å²	59	63.4 Å²	63.4	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-70.9	-38.3	-173.6	-176.3	158.8	179.6	158.4	0	112.6	Y303 F304	Y303-K307 HydrophobicContact CE1-CD 3.78Å; Y303-K307 VanDerWaalsContact O-CB 3.28Å; Y303-K307 WeakPolarHBondContact O-CB 3.43Å; Y303-K307 PolarHBondContact O-N 2.95Å; Y303-K307 VanDerWaalsContact OH-CD 3.29Å; Y303-K307 WeakPolarHBondContact OH-CD 3.48Å; Y303-K307 PolarHBondContact OH-NZ 3.23Å; Y303-K307 VanDerWaalsContact OH-NZ 3.17Å; F304-K307 PolarHBondContact O-N 3.38Å
308	F	65.4	Low	66.4	Low	57 Å²	57	72.5 Å²	72.5	25%	0.25	36%	0.357	C	S	.	.	H	α-helix	trans	-108.8	-0	-174.7	-62.8	-84.1	0	0	0	114.2	F304 F310 F375	F304-F308 HydrophobicContact CB-CD2 4.49Å; F304-F308 AromaticContact CD1-CD2 3.56Å; F304-F308 HydrophobicContact CD1-CD2 3.56Å; F304-F308 AromaticContact CD1-CE2 3.37Å; F304-F308 HydrophobicContact CD1-CE2 3.37Å; F304-F308 HydrophobicContact CE1-CD2 4.23Å; F304-F308 AromaticContact CE1-CE2 3.57Å; F304-F308 HydrophobicContact CE1-CE2 3.57Å; F304-F308 HydrophobicContact CE1-CZ 4.44Å; F304-F308 HydrophobicContact CG-CD2 4.47Å; F304-F308 PolarHBondContact O-N 3.4Å; F308-F310 HydrophobicContact CB-CD2 3.36Å; F308-F310 HydrophobicContact CB-CE2 3.45Å; F308-F310 VanDerWaalsContact CB-CE2 3.45Å; F308-F310 HydrophobicContact CB-CG 4.2Å; F308-F310 HydrophobicContact CB-CZ 4.33Å; F308-F310 HydrophobicContact CD1-CE2 4.35Å; F308-F310 HydrophobicContact CG-CD2 4.32Å; F308-F310 HydrophobicContact CG-CE2 4.14Å; F308-F310 PolarHBondContact O-N 3.43Å; F308-F310 VanDerWaalsContact O-N 3.13Å; F308-F375 HydrophobicContact CE1-CD2 4.27Å; F308-F375 HydrophobicContact CE1-CE2 4.29Å; F308-F375 AromaticContact CZ-CD2 3.84Å; F308-F375 HydrophobicContact CZ-CD2 3.84Å; F308-F375 AromaticContact CZ-CE2 3.78Å; F308-F375 HydrophobicContact CZ-CE2 3.78Å
309	S	65.3	Low	65.8	Low	112 Å²	112	73.9 Å²	73.9	78%	0.783	36%	0.362	S	S	*	.			trans	55.9	27.1	179.9	-57.9	0	0	0	0	114.3	E305	E305-S309 VanDerWaalsContact O-CA 3.32Å; E305-S309 WeakPolarHBondContact O-CA 3.38Å; E305-S309 PolarHBondContact O-N 2.96Å
310	F	68	Low	65.1	Low	43 Å²	43	72 Å²	72	19%	0.189	36%	0.355	C	S	.	.			trans	-93.6	138.1	176.2	-61.7	-48.1	0	0	0	110.9	L285 I292 F308 M312	L285-F310 HydrophobicContact CB-CE1 4.44Å; L285-F310 HydrophobicContact CB-CZ 4.16Å; L285-F310 HydrophobicContact CD2-CE2 4.38Å; L285-F310 HydrophobicContact CD2-CZ 4.38Å; L285-F310 WeakPolarHBondContact O-CE1 3.5Å; I292-F310 HydrophobicContact CD1-CB 3.53Å; I292-F310 HydrophobicContact CD1-CD1 4.23Å; I292-F310 HydrophobicContact CD1-CD2 3.61Å; I292-F310 HydrophobicContact CD1-CE2 4.37Å; I292-F310 HydrophobicContact CD1-CG 3.54Å; I292-F310 HydrophobicContact CG1-CB 4.43Å; F308-F310 HydrophobicContact CB-CD2 3.36Å; F308-F310 HydrophobicContact CB-CE2 3.45Å; F308-F310 VanDerWaalsContact CB-CE2 3.45Å; F308-F310 HydrophobicContact CB-CG 4.2Å; F308-F310 HydrophobicContact CB-CZ 4.33Å; F308-F310 HydrophobicContact CD1-CE2 4.35Å; F308-F310 HydrophobicContact CG-CD2 4.32Å; F308-F310 HydrophobicContact CG-CE2 4.14Å; F308-F310 PolarHBondContact O-N 3.43Å; F308-F310 VanDerWaalsContact O-N 3.13Å; F310-M312 HydrophobicContact CB-CE 4.15Å; F310-M312 HydrophobicContact CD2-CE 4.4Å; F310-M312 PolarHBondContact O-N 2.96Å; F310-M312 VanDerWaalsContact O-N 3.17Å
311	S	69.3	Low	64.1	Low	70 Å²	70	76.2 Å²	76.2	49%	0.49	38%	0.384	S	S	.	.			trans	-69.1	112.8	172.1	-175.6	0	0	0	0	109.9	I292	I292-S311 PolarHBondContact N-O 3.44Å
312	M	72	Confident	63	Low	21 Å²	21	83.5 Å²	83.5	10%	0.103	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.2	-179	-61.4	-158.9	174.3	0	0	111.7	I292 F304 E305 F310 L331	I292-M312 HydrophobicContact CB-CG 4.38Å; I292-M312 HydrophobicContact CG2-CE 4.29Å; I292-M312 HydrophobicContact CG2-CG 4.49Å; I292-M312 CarbonylContact O-C 3.54Å; I292-M312 VanDerWaalsContact O-CA 3.24Å; I292-M312 WeakPolarHBondContact O-CA 3.47Å; F304-M312 HydrophobicContact CB-CE 3.46Å; F304-M312 VanDerWaalsContact CB-CE 3.46Å; F304-M312 HydrophobicContact CB-SD 3.64Å; F304-M312 HydrophobicContact CG-CE 4.46Å; E305-M312 HydrophobicContact CB-CB 4.33Å; E305-M312 HydrophobicContact CB-CG 4.1Å; E305-M312 HydrophobicContact CB-SD 4.37Å; F310-M312 HydrophobicContact CB-CE 4.15Å; F310-M312 HydrophobicContact CD2-CE 4.4Å; F310-M312 PolarHBondContact O-N 2.96Å; F310-M312 VanDerWaalsContact O-N 3.17Å; M312-L331 HydrophobicContact CE-CD2 4.11Å; M312-L331 HydrophobicContact SD-CD2 4.02Å
313	K	70.8	Confident	62	Low	73 Å²	73	80.2 Å²	80.2	32%	0.317	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.1	170.2	-72.7	-172.1	178.3	179.8	0	110	T291 I292 Y293 C294 E323	T291-K313 HydrophobicContact CG2-CD 4.12Å; T291-K313 HydrophobicContact CG2-CG 4.47Å; I292-K313 PolarHBondContact O-N 2.93Å; Y293-K313 CarbonylContact C-O 3.52Å; Y293-K313 VanDerWaalsContact CA-O 3.27Å; Y293-K313 WeakPolarHBondContact CA-O 3.45Å; Y293-K313 HydrophobicContact CD1-CB 4.27Å; Y293-K313 HydrophobicContact CE1-CB 4.48Å; C294-K313 PolarHBondContact N-O 2.92Å; K313-E323 IonicContact NZ-OE1 2.58Å
314	L	63.5	Low	61.3	Low	61 Å²	61	79.7 Å²	79.7	32%	0.319	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.8	173.9	-78.6	155	0	0	0	109.9	P298 C301 N316 E317	P298-L314 HydrophobicContact CB-CD1 4.22Å; P298-L314 HydrophobicContact CB-CD2 4.31Å; P298-L314 HydrophobicContact CG-CD1 4.29Å; P298-L314 HydrophobicContact CG-CD2 3.99Å; C301-L314 HydrophobicContact CB-CD2 4.47Å; L314-N316 PolarHBondContact O-N 3.37Å; L314-E317 PolarHBondContact O-N 3.46Å
315	V	62.3	Low	60.5	Low	31 Å²	31	84.9 Å²	84.9	19%	0.188	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14	179	172.9	0	0	0	0	113.1	C294 D295 E317 I319	C294-V315 PolarHBondContact O-N 3.45Å; D295-V315 HydrophobicContact CB-CG2 4.06Å; V315-E317 VanDerWaalsContact C-N 3.28Å; V315-E317 PolarHBondContact O-N 2.92Å; V315-I319 HydrophobicContact CG1-CD1 4.3Å
316	N	53.6	Low	59.9	Low	85 Å²	85	84.3 Å²	84.3	46%	0.455	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.8	179.1	-68.5	-23.4	0	0	0	114.4	L314	L314-N316 PolarHBondContact O-N 3.37Å
317	E	52.5	Low	59.4	Low	133 Å²	133	77.4 Å²	77.4	62%	0.621	41%	0.409	S	S	*	.	S	Bend	trans	-76.8	135.7	168.6	-67.1	-174.5	170.2	0	0	108.8	L314 V315 I319	L314-E317 PolarHBondContact O-N 3.46Å; V315-E317 VanDerWaalsContact C-N 3.28Å; V315-E317 PolarHBondContact O-N 2.92Å; E317-I319 PolarHBondContact O-N 2.87Å
318	K	49.1	Very low	59.5	Low	209 Å²	209	75.4 Å²	75.4	91%	0.909	40%	0.401	S	S	*	.			trans	-51.3	101.4	178.1	-77.6	-179.5	178.4	176	0	109.1	S320	K318-S320 PolarHBondContact O-N 3.38Å; K318-S320 VanDerWaalsContact O-N 3.09Å
319	I	54.7	Low	59.8	Low	50 Å²	50	72.9 Å²	72.9	26%	0.256	39%	0.39	S	S	.	.			trans	-56	119.7	171.9	-58.8	172.9	0	0	0	105.6	Y293 V315 E317 E323 I324 M328	Y293-I319 HydrophobicContact CE1-CG1 4.39Å; V315-I319 HydrophobicContact CG1-CD1 4.3Å; E317-I319 PolarHBondContact O-N 2.87Å; I319-E323 HydrophobicContact CG2-CB 3.72Å; I319-I324 HydrophobicContact CG2-CG1 3.83Å; I319-M328 HydrophobicContact CD1-CE 3.88Å
320	S	49.3	Very low	60.2	Low	40 Å²	40	68.3 Å²	68.3	28%	0.28	36%	0.357	S	S	.	.			trans	-63.4	143.7	179.3	76	0	0	0	0	108.1	K318 E322 E323 I324	K318-S320 PolarHBondContact O-N 3.38Å; K318-S320 VanDerWaalsContact O-N 3.09Å; S320-E322 PolarHBondContact O-N 3.08Å; S320-E323 WeakPolarHBondContact O-CB 3.24Å; S320-E323 PolarHBondContact O-N 3.34Å; S320-E323 WeakPolarHBondContact OG-CG 3.25Å; S320-E323 PolarHBondContact OG-N 3.17Å; S320-I324 PolarHBondContact O-N 3.12Å
321	P	46.2	Very low	60.5	Low	100 Å²	100	66.3 Å²	66.3	65%	0.649	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.7	176.8	22	-31.6	0	0	0	112.9
322	E	48.1	Very low	60.6	Low	158 Å²	158	63 Å²	63	74%	0.738	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-37.9	172.2	-63.3	179.7	175.5	0	0	112.5	S320 I324 N325	S320-E322 PolarHBondContact O-N 3.08Å; E322-I324 VanDerWaalsContact C-N 3.29Å; E322-I324 PolarHBondContact O-N 3.28Å; E322-N325 PolarHBondContact O-N 3.29Å
323	E	54.4	Low	60.6	Low	50 Å²	50	62.8 Å²	62.8	23%	0.234	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-70.6	-22	174.8	-74.4	175.6	178.1	0	0	112.7	Y293 K313 I319 S320 N325 T326	Y293-E323 WeakPolarHBondContact OH-CG 3.46Å; Y293-E323 PolarHBondContact OH-OE2 3.13Å; K313-E323 IonicContact NZ-OE1 2.58Å; I319-E323 HydrophobicContact CG2-CB 3.72Å; S320-E323 WeakPolarHBondContact O-CB 3.24Å; S320-E323 PolarHBondContact O-N 3.34Å; S320-E323 WeakPolarHBondContact OG-CG 3.25Å; S320-E323 PolarHBondContact OG-N 3.17Å; E323-N325 PolarHBondContact O-N 2.96Å; E323-T326 PolarHBondContact O-N 3.03Å; E323-T326 PolarHBondContact O-OG1 2.73Å; E323-T326 VanDerWaalsContact O-OG1 3.05Å
324	I	55.5	Low	60.5	Low	64 Å²	64	60.2 Å²	60.2	33%	0.328	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-68.4	-24.9	175.9	-59.8	177.5	0	0	0	111.7	L41 Y152 I319 S320 E322	L41-I324 HydrophobicContact CD2-CG2 3.97Å; Y152-I324 WeakPolarHBondContact CD2-O 3.39Å; Y152-I324 WeakPolarHBondContact CE2-O 3.41Å; I319-I324 HydrophobicContact CG2-CG1 3.83Å; S320-I324 PolarHBondContact O-N 3.12Å; E322-I324 VanDerWaalsContact C-N 3.29Å; E322-I324 PolarHBondContact O-N 3.28Å
325	N	54.5	Low	60.6	Low	110 Å²	110	58.9 Å²	58.9	59%	0.588	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-93.7	-1.2	-176.1	-72.9	-28.9	0	0	0	114.1	Y152 E322 E323	Y152-N325 WeakPolarHBondContact CB-O 3.28Å; E322-N325 PolarHBondContact O-N 3.29Å; E323-N325 PolarHBondContact O-N 2.96Å
326	T	60.5	Low	60.8	Low	70 Å²	70	58.3 Å²	58.3	43%	0.429	30%	0.301	S	S	.	.	S	Bend	trans	-102.1	164	179	55.7	0	0	0	0	111.3	E323 M328	E323-T326 PolarHBondContact O-N 3.03Å; E323-T326 PolarHBondContact O-OG1 2.73Å; E323-T326 VanDerWaalsContact O-OG1 3.05Å; T326-M328 PolarHBondContact O-N 2.87Å
327	S	63.8	Low	61.3	Low	29 Å²	29	54.3 Å²	54.3	20%	0.203	28%	0.279	C	S	.	.			trans	-64.6	125.6	171.1	50.8	0	0	0	0	109.3	K150	K150-S327 CarbonylContact O-C 3.47Å; K150-S327 WeakPolarHBondContact O-CA 3.17Å
328	M	69.7	Low	61.8	Low	18 Å²	18	49.8 Å²	49.8	9%	0.089	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133	-172.5	-175	-173	-172.6	0	0	109.4	I149 K150 Y293 I319 T326 I330 W350	I149-M328 CarbonylContact C-O 3.51Å; I149-M328 WeakPolarHBondContact CA-O 3.24Å; K150-M328 HydrophobicContact CB-CB 4.47Å; K150-M328 PolarHBondContact N-O 3.12Å; K150-M328 PolarHBondContact O-N 3.18Å; Y293-M328 VanDerWaalsContact CB-CE 3.48Å; Y293-M328 HydrophobicContact CD1-CE 3.61Å; Y293-M328 HydrophobicContact CD2-CE 3.29Å; Y293-M328 HydrophobicContact CD2-CG 3.43Å; Y293-M328 VanDerWaalsContact CD2-CG 3.43Å; Y293-M328 HydrophobicContact CD2-SD 4.16Å; Y293-M328 HydrophobicContact CE1-CE 4.08Å; Y293-M328 HydrophobicContact CE2-CE 3.8Å; Y293-M328 HydrophobicContact CE2-CG 3.65Å; Y293-M328 HydrophobicContact CE2-SD 4.4Å; Y293-M328 HydrophobicContact CG-CE 3.16Å; Y293-M328 HydrophobicContact CG-CG 4.3Å; I319-M328 HydrophobicContact CD1-CE 3.88Å; T326-M328 PolarHBondContact O-N 2.87Å; M328-I330 HydrophobicContact CE-CD1 3.68Å; M328-I330 HydrophobicContact CE-CG1 3.76Å; M328-I330 HydrophobicContact CG-CG1 4.02Å; M328-I330 HydrophobicContact SD-CD1 3.79Å; M328-I330 HydrophobicContact SD-CG1 3.88Å; M328-W350 HydrophobicContact SD-CH2 4.44Å
329	I	72	Confident	62.5	Low	3 Å²	3	44.6 Å²	44.6	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.6	170.5	-58.6	173.8	0	0	0	107.5	F147 I149 L285 I292 Y293 I353	F147-I329 HydrophobicContact CD1-CG2 3.97Å; I149-I329 HydrophobicContact CB-CG1 4.44Å; I149-I329 HydrophobicContact CD1-CG1 4.05Å; I149-I329 HydrophobicContact CG1-CG1 4.02Å; L285-I329 HydrophobicContact CD2-CD1 4.33Å; I292-I329 HydrophobicContact CG1-CB 4.38Å; I292-I329 HydrophobicContact CG1-CG2 4.23Å; I292-I329 HydrophobicContact CG2-CG2 4.35Å; Y293-I329 PolarHBondContact N-O 2.89Å; I329-I353 HydrophobicContact CG2-CD1 4.28Å
330	I	73.8	Confident	62.9	Low	17 Å²	17	42.8 Å²	42.8	9%	0.087	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.8	175.2	-57.7	-167.7	0	0	0	109.4	F147 I148 Y293 D295 M328 T332 W350	F147-I330 WeakPolarHBondContact CA-O 3.21Å; I148-I330 PolarHBondContact N-O 3.23Å; I148-I330 PolarHBondContact O-N 3.41Å; Y293-I330 CarbonylContact O-C 3.56Å; Y293-I330 VanDerWaalsContact O-CA 3.27Å; Y293-I330 WeakPolarHBondContact O-CA 2.93Å; D295-I330 HydrophobicContact CB-CG2 4.19Å; M328-I330 HydrophobicContact CE-CD1 3.68Å; M328-I330 HydrophobicContact CE-CG1 3.76Å; M328-I330 HydrophobicContact CG-CG1 4.02Å; M328-I330 HydrophobicContact SD-CD1 3.79Å; M328-I330 HydrophobicContact SD-CG1 3.88Å; I330-T332 HydrophobicContact CG2-CG2 4.38Å; I330-W350 HydrophobicContact CB-CZ3 4.34Å; I330-W350 HydrophobicContact CD1-CH2 3.3Å; I330-W350 HydrophobicContact CD1-CZ2 4.3Å; I330-W350 HydrophobicContact CD1-CZ3 3.74Å; I330-W350 HydrophobicContact CG1-CH2 3.86Å; I330-W350 HydrophobicContact CG1-CZ3 3.84Å
331	L	75.5	Confident	63.5	Low	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.5	162	177.6	64.1	0	0	0	108.1	P145 V146 F147 I292 Y293 D295 L296 F304 M312	P145-L331 HydrophobicContact CB-CD1 4.09Å; V146-L331 WeakPolarHBondContact O-CA 3.27Å; F147-L331 HydrophobicContact CD1-CB 4.19Å; F147-L331 HydrophobicContact CD1-CD1 4.16Å; F147-L331 HydrophobicContact CD2-CD1 4.35Å; F147-L331 HydrophobicContact CE1-CB 3.95Å; F147-L331 HydrophobicContact CE1-CD1 3.9Å; F147-L331 HydrophobicContact CE1-CG 4.34Å; F147-L331 HydrophobicContact CE2-CD1 4.1Å; F147-L331 HydrophobicContact CG-CD1 4.39Å; F147-L331 HydrophobicContact CZ-CD1 3.88Å; I292-L331 HydrophobicContact CG2-CB 4.17Å; Y293-L331 PolarHBondContact O-N 2.85Å; D295-L331 PolarHBondContact N-O 3.47Å; L296-L331 HydrophobicContact CD1-CD1 4.25Å; L296-L331 HydrophobicContact CD1-CD2 4.14Å; L296-L331 HydrophobicContact CD1-CG 3.75Å; F304-L331 HydrophobicContact CB-CD2 3.91Å; F304-L331 HydrophobicContact CD1-CD2 4.11Å; F304-L331 HydrophobicContact CD2-CD2 3.68Å; F304-L331 HydrophobicContact CE2-CD2 4.29Å; F304-L331 HydrophobicContact CG-CD2 3.62Å; M312-L331 HydrophobicContact CE-CD2 4.11Å; M312-L331 HydrophobicContact SD-CD2 4.02Å
332	T	71.7	Confident	64	Low	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	-178.1	-177.7	-171.6	0	0	0	0	109.8	P145 V146 I148 I330 H336	P145-T332 CarbonylContact C-O 3.6Å; P145-T332 WeakPolarHBondContact CA-O 3.31Å; V146-T332 HydrophobicContact CG2-CG2 3.88Å; V146-T332 WeakPolarHBondContact CG2-O 3.47Å; V146-T332 PolarHBondContact N-O 2.94Å; V146-T332 PolarHBondContact O-N 2.91Å; I148-T332 HydrophobicContact CD1-CG2 3.45Å; I148-T332 VanDerWaalsContact CD1-CG2 3.45Å; I148-T332 HydrophobicContact CG1-CG2 4.03Å; I330-T332 HydrophobicContact CG2-CG2 4.38Å; T332-H336 WeakPolarHBondContact OG1-CB 3.41Å; T332-H336 PolarHBondContact OG1-CD2 3.43Å
333	D	72.2	Confident	64.6	Low	18 Å²	18	35.2 Å²	35.2	10%	0.096	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	156	171.9	73.2	79.3	0	0	0	111.9	L143 K144 V146 L296 I335 H336 G337	L143-D333 HydrophobicContact CB-CB 4.05Å; L143-D333 HydrophobicContact CD2-CB 4.29Å; K144-D333 CarbonylContact O-C 3.5Å; K144-D333 VanDerWaalsContact O-CA 3.27Å; K144-D333 WeakPolarHBondContact O-CA 3.29Å; V146-D333 VanDerWaalsContact CG2-C 3.47Å; V146-D333 WeakPolarHBondContact CG2-O 3.41Å; L296-D333 HydrophobicContact CD2-CB 4.21Å; D333-I335 PolarHBondContact O-N 3.4Å; D333-I335 WeakPolarHBondContact OD1-CA 3.48Å; D333-I335 VanDerWaalsContact OD1-CB 3.25Å; D333-I335 WeakPolarHBondContact OD1-CB 3.4Å; D333-I335 PolarHBondContact OD1-N 3.49Å; D333-H336 PolarHBondContact O-N 3.26Å; D333-H336 PolarHBondContact OD1-N 2.94Å; D333-H336 WeakPolarHBondContact OD2-CB 3.2Å; D333-G337 PolarHBondContact O-N 3.27Å
334	H	67.5	Low	64.5	Low	19 Å²	19	38.5 Å²	38.5	9%	0.088	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-29.8	-176.7	69.5	-53.2	0	0	0	114.7	Q142 K144 V146 Q338 Y352	Q142-H334 PolarHBondContact O-CE1 3.41Å; K144-H334 HydrophobicContact CB-CB 4.16Å; K144-H334 PolarHBondContact N-ND1 2.99Å; K144-H334 VanDerWaalsContact N-ND1 3.18Å; K144-H334 PolarHBondContact O-N 3.27Å; V146-H334 HydrophobicContact CG1-CB 3.77Å; H334-Q338 WeakPolarHBondContact O-CB 3.42Å; H334-Q338 PolarHBondContact O-N 3.09Å; H334-Y352 PolarHBondContact O-OH 3.13Å
335	I	64.9	Low	64	Low	33 Å²	33	45.6 Å²	45.6	17%	0.169	22%	0.22	C	C	.	.	H	α-helix	trans	-74.2	-49.9	179.5	-54.1	176.5	0	0	0	108.8	T141 L143 D333 G337 Q338 Y339 F420	T141-I335 HydrophobicContact CG2-CD1 4.13Å; L143-I335 HydrophobicContact CD2-CD1 3.46Å; L143-I335 VanDerWaalsContact CD2-CD1 3.46Å; L143-I335 HydrophobicContact CD2-CG1 4.1Å; D333-I335 PolarHBondContact O-N 3.4Å; D333-I335 WeakPolarHBondContact OD1-CA 3.48Å; D333-I335 VanDerWaalsContact OD1-CB 3.25Å; D333-I335 WeakPolarHBondContact OD1-CB 3.4Å; D333-I335 PolarHBondContact OD1-N 3.49Å; I335-G337 PolarHBondContact O-N 3.47Å; I335-Q338 PolarHBondContact O-N 3.35Å; I335-Y339 WeakPolarHBondContact O-CB 3.46Å; I335-Y339 PolarHBondContact O-N 2.89Å; I335-F420 HydrophobicContact CD1-CD1 3.79Å; I335-F420 HydrophobicContact CD1-CE1 3.93Å; I335-F420 HydrophobicContact CG1-CD1 4.21Å; I335-F420 HydrophobicContact CG2-CD1 4.15Å; I335-F420 HydrophobicContact CG2-CE1 3.87Å
336	H	66.7	Low	63.6	Low	19 Å²	19	46.7 Å²	46.7	9%	0.088	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-37.1	174.3	-169.5	91.5	0	0	0	111	D295 T332 D333 Y339 L340	D295-H336 IonicContact OD2-CE1 3.71Å; D295-H336 IonicContact OD2-NE2 3.88Å; T332-H336 WeakPolarHBondContact OG1-CB 3.41Å; T332-H336 PolarHBondContact OG1-CD2 3.43Å; D333-H336 PolarHBondContact O-N 3.26Å; D333-H336 PolarHBondContact OD1-N 2.94Å; D333-H336 WeakPolarHBondContact OD2-CB 3.2Å; H336-Y339 WeakPolarHBondContact O-CB 3.48Å; H336-Y339 PolarHBondContact O-N 3.32Å; H336-L340 WeakPolarHBondContact O-CG 3.44Å; H336-L340 PolarHBondContact O-N 3.12Å
337	G	64.7	Low	63.1	Low	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-42.9	175.1	0	0	0	0	0	114.4	D333 I335 Y339 L340 Q341	D333-G337 PolarHBondContact O-N 3.27Å; I335-G337 PolarHBondContact O-N 3.47Å; G337-Y339 VanDerWaalsContact C-N 3.29Å; G337-L340 PolarHBondContact O-N 3.46Å; G337-Q341 PolarHBondContact O-N 2.98Å
338	Q	63.1	Low	62.7	Low	38 Å²	38	50.6 Å²	50.6	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-37.5	179.2	-170.2	178.8	-4.3	0	0	109.7	H334 I335 Q341 S342 Y352 P418	H334-Q338 WeakPolarHBondContact O-CB 3.42Å; H334-Q338 PolarHBondContact O-N 3.09Å; I335-Q338 PolarHBondContact O-N 3.35Å; Q338-Q341 PolarHBondContact O-N 3.01Å; Q338-S342 WeakPolarHBondContact O-CB 3.38Å; Q338-S342 PolarHBondContact O-N 3.31Å; Q338-Y352 WeakPolarHBondContact CA-OH 3.47Å; Q338-Y352 WeakPolarHBondContact CB-OH 3.35Å; Q338-Y352 PolarHBondContact N-OH 3.46Å; Q338-P418 PolarHBondContact NE2-O 2.9Å
339	Y	62.9	Low	62.3	Low	101 Å²	101	54.7 Å²	54.7	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-51	170.2	177	-101	0	0	0	111.6	I335 H336 G337 Q341 S342 L343	I335-Y339 WeakPolarHBondContact O-CB 3.46Å; I335-Y339 PolarHBondContact O-N 2.89Å; H336-Y339 WeakPolarHBondContact O-CB 3.48Å; H336-Y339 PolarHBondContact O-N 3.32Å; G337-Y339 VanDerWaalsContact C-N 3.29Å; Y339-Q341 VanDerWaalsContact C-N 3.27Å; Y339-Q341 PolarHBondContact O-N 3.22Å; Y339-S342 PolarHBondContact O-N 3.33Å; Y339-S342 VanDerWaalsContact O-N 3.1Å; Y339-S342 PolarHBondContact O-OG 3.06Å; Y339-L343 HydrophobicContact CD1-CD1 4.27Å; Y339-L343 HydrophobicContact CE1-CD1 3.79Å; Y339-L343 HydrophobicContact CE1-CG 4.37Å; Y339-L343 WeakPolarHBondContact O-CG 3.46Å; Y339-L343 PolarHBondContact O-N 3.4Å; Y339-L343 VanDerWaalsContact O-N 3.13Å
340	L	63.5	Low	61.9	Low	12 Å²	12	55.4 Å²	55.4	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-37.1	176.4	-71.7	177.5	0	0	0	112.8	I148 H336 G337 L343 W350	I148-L340 HydrophobicContact CD1-CD1 4.43Å; H336-L340 WeakPolarHBondContact O-CG 3.44Å; H336-L340 PolarHBondContact O-N 3.12Å; G337-L340 PolarHBondContact O-N 3.46Å; L340-L343 HydrophobicContact CD2-CD1 4.32Å; L340-W350 HydrophobicContact CB-CG 4.33Å
341	Q	62.1	Low	61.4	Low	52 Å²	52	57 Å²	57	24%	0.243	27%	0.271	C	S	.	.	H	α-helix	trans	-71.5	-37	176	-162.6	-175.7	36.1	0	0	112.2	G337 Q338 Y339 L343 K344 Y352	G337-Q341 PolarHBondContact O-N 2.98Å; Q338-Q341 PolarHBondContact O-N 3.01Å; Y339-Q341 VanDerWaalsContact C-N 3.27Å; Y339-Q341 PolarHBondContact O-N 3.22Å; Q341-L343 PolarHBondContact O-N 3.03Å; Q341-K344 HydrophobicContact CG-CD 4.46Å; Q341-K344 VanDerWaalsContact O-CB 3.25Å; Q341-K344 WeakPolarHBondContact O-CB 3.4Å; Q341-K344 WeakPolarHBondContact O-CG 3.47Å; Q341-K344 PolarHBondContact O-N 3Å; Q341-Y352 HydrophobicContact CB-CE2 4.35Å; Q341-Y352 VanDerWaalsContact OE1-CE2 3.26Å
342	S	57.9	Low	60.8	Low	40 Å²	40	60.4 Å²	60.4	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-67.3	-23.2	178.2	77.4	0	0	0	0	112.7	Q338 Y339 K344	Q338-S342 WeakPolarHBondContact O-CB 3.38Å; Q338-S342 PolarHBondContact O-N 3.31Å; Y339-S342 PolarHBondContact O-N 3.33Å; Y339-S342 VanDerWaalsContact O-N 3.1Å; Y339-S342 PolarHBondContact O-OG 3.06Å; S342-K344 PolarHBondContact O-N 3.48Å
343	L	59.7	Low	60.4	Low	46 Å²	46	61 Å²	61	24%	0.241	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-67.3	5.7	169.7	-65.6	172.4	0	0	0	113.3	Y339 L340 Q341 Y345 Q346	Y339-L343 HydrophobicContact CD1-CD1 4.27Å; Y339-L343 HydrophobicContact CE1-CD1 3.79Å; Y339-L343 HydrophobicContact CE1-CG 4.37Å; Y339-L343 WeakPolarHBondContact O-CG 3.46Å; Y339-L343 PolarHBondContact O-N 3.4Å; Y339-L343 VanDerWaalsContact O-N 3.13Å; L340-L343 HydrophobicContact CD2-CD1 4.32Å; Q341-L343 PolarHBondContact O-N 3.03Å; L343-Y345 PolarHBondContact O-N 3.4Å; L343-Q346 PolarHBondContact O-N 3.33Å
344	K	51.6	Low	59.8	Low	119 Å²	119	63.8 Å²	63.8	52%	0.517	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-44.9	-25.4	170.6	-101.1	173.7	179.2	175.7	0	114.4	Q341 S342 Q346 N347	Q341-K344 HydrophobicContact CG-CD 4.46Å; Q341-K344 VanDerWaalsContact O-CB 3.25Å; Q341-K344 WeakPolarHBondContact O-CB 3.4Å; Q341-K344 WeakPolarHBondContact O-CG 3.47Å; Q341-K344 PolarHBondContact O-N 3Å; S342-K344 PolarHBondContact O-N 3.48Å; K344-Q346 PolarHBondContact O-N 3.46Å; K344-N347 PolarHBondContact O-N 3.4Å
345	Y	45.3	Very low	59.2	Low	214 Å²	214	64.2 Å²	64.2	84%	0.839	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.4	-9.5	171.5	-87	-82.8	0	0	0	114.9	L343	L343-Y345 PolarHBondContact O-N 3.4Å
346	Q	47.3	Very low	58.6	Low	132 Å²	132	66.3 Å²	66.3	62%	0.617	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-118.1	27.3	-177.4	-64.7	-174.1	-12.8	0	0	114.8	L343 K344 T348	L343-Q346 PolarHBondContact O-N 3.33Å; K344-Q346 PolarHBondContact O-N 3.46Å; Q346-T348 VanDerWaalsContact C-N 3.31Å; Q346-T348 PolarHBondContact O-N 2.98Å
347	N	50.4	Low	57.9	Low	158 Å²	158	66.1 Å²	66.1	85%	0.845	31%	0.314	S	S	*	.	S	Bend	trans	58.6	34.3	177.6	-78.5	-13.7	0	0	0	114.6	K344	K344-N347 PolarHBondContact O-N 3.4Å
348	T	53.4	Low	57.1	Low	24 Å²	24	74.3 Å²	74.3	15%	0.147	35%	0.349	C	S	.	.			trans	-104.1	110.5	172.9	56.7	0	0	0	0	110.4	Q346 W350	Q346-T348 VanDerWaalsContact C-N 3.31Å; Q346-T348 PolarHBondContact O-N 2.98Å; T348-W350 PolarHBondContact O-N 3.29Å
349	D	62.9	Low	56.2	Low	103 Å²	103	75.7 Å²	75.7	55%	0.551	36%	0.36	S	S	*	.			trans	-76.6	61.8	-179.9	-70.2	-24.8	0	0	0	111.5	C151	C151-D349 HydrophobicContact CB-CB 4.49Å; C151-D349 PolarHBondContact N-O 2.93Å
350	W	63.7	Low	55	Low	19 Å²	19	77.6 Å²	77.6	7%	0.072	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.9	170.6	-68.7	105.8	0	0	0	110.1	I148 I149 K150 M328 I330 L340 T348	I148-W350 HydrophobicContact CB-CE3 4.21Å; I148-W350 HydrophobicContact CG2-CB 3.97Å; I148-W350 HydrophobicContact CG2-CD2 4.28Å; I148-W350 HydrophobicContact CG2-CE3 3.55Å; I148-W350 HydrophobicContact CG2-CZ3 4.4Å; I149-W350 WeakPolarHBondContact O-CA 3.33Å; K150-W350 HydrophobicContact CB-CD2 3.87Å; K150-W350 HydrophobicContact CB-CE3 3.63Å; K150-W350 HydrophobicContact CB-CH2 3.65Å; K150-W350 HydrophobicContact CB-CZ2 3.91Å; K150-W350 HydrophobicContact CB-CZ3 3.54Å; K150-W350 HydrophobicContact CD-CH2 4.07Å; K150-W350 HydrophobicContact CD-CZ2 3.61Å; K150-W350 HydrophobicContact CG-CD2 4.17Å; K150-W350 HydrophobicContact CG-CE3 4.43Å; K150-W350 HydrophobicContact CG-CH2 4.35Å; K150-W350 HydrophobicContact CG-CZ2 4.12Å; M328-W350 HydrophobicContact SD-CH2 4.44Å; I330-W350 HydrophobicContact CB-CZ3 4.34Å; I330-W350 HydrophobicContact CD1-CH2 3.3Å; I330-W350 HydrophobicContact CD1-CZ2 4.3Å; I330-W350 HydrophobicContact CD1-CZ3 3.74Å; I330-W350 HydrophobicContact CG1-CH2 3.86Å; I330-W350 HydrophobicContact CG1-CZ3 3.84Å; L340-W350 HydrophobicContact CB-CG 4.33Å; T348-W350 PolarHBondContact O-N 3.29Å
351	N	63.5	Low	53.9	Low	50 Å²	50	82.4 Å²	82.4	27%	0.267	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.7	176.5	-65.6	-57.5	0	0	0	110.5	I148 I149 Y281	I148-N351 WeakPolarHBondContact CA-O 3.2Å; I148-N351 WeakPolarHBondContact CG2-O 3.39Å; I149-N351 HydrophobicContact CG2-CB 4.23Å; I149-N351 PolarHBondContact N-O 2.77Å; I149-N351 PolarHBondContact O-N 3.26Å; Y281-N351 HydrophobicContact CE2-CB 4.3Å; Y281-N351 PolarHBondContact OH-ND2 2.97Å
352	Y	63.1	Low	52.7	Low	72 Å²	72	87.6 Å²	87.6	28%	0.282	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.7	171.2	-75.8	-79.3	0	0	0	110.5	V146 I148 H334 Q338 Q341	V146-Y352 HydrophobicContact CB-CD1 4.3Å; V146-Y352 HydrophobicContact CB-CE1 4.12Å; V146-Y352 HydrophobicContact CG1-CE1 4.2Å; V146-Y352 HydrophobicContact CG2-CE1 4.05Å; I148-Y352 HydrophobicContact CD1-CD1 4.44Å; I148-Y352 HydrophobicContact CD1-CE1 4.07Å; I148-Y352 HydrophobicContact CG1-CD1 4.06Å; I148-Y352 HydrophobicContact CG1-CE1 4.17Å; H334-Y352 PolarHBondContact O-OH 3.13Å; Q338-Y352 WeakPolarHBondContact CA-OH 3.47Å; Q338-Y352 WeakPolarHBondContact CB-OH 3.35Å; Q338-Y352 PolarHBondContact N-OH 3.46Å; Q341-Y352 HydrophobicContact CB-CE2 4.35Å; Q341-Y352 VanDerWaalsContact OE1-CE2 3.26Å
353	I	62.6	Low	51.6	Low	12 Å²	12	94.8 Å²	94.8	6%	0.062	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.1	169.1	-59.3	168	0	0	0	107.4	F147 I149 Y281 L285 I329	F147-I353 HydrophobicContact CB-CB 4.01Å; F147-I353 HydrophobicContact CB-CD1 4.28Å; F147-I353 PolarHBondContact O-N 2.86Å; I149-I353 HydrophobicContact CB-CD1 3.77Å; I149-I353 HydrophobicContact CB-CG1 4.18Å; I149-I353 HydrophobicContact CG2-CD1 4.09Å; I149-I353 HydrophobicContact CG2-CG1 3.94Å; Y281-I353 HydrophobicContact CD2-CG1 4.23Å; Y281-I353 HydrophobicContact CG-CG1 4.02Å; L285-I353 HydrophobicContact CD1-CG2 3.93Å; I329-I353 HydrophobicContact CG2-CD1 4.28Å
354	K	58.2	Low	50.4	Low	77 Å²	77	99.7 Å²	99.7	34%	0.335	48%	0.476	S	S	.	.			trans	-75.9	139.4	167.1	-68.9	-167.9	174.8	-163.5	0	109.1	V434 D438	K354-V434 HydrophobicContact CB-CG2 3.91Å; K354-V434 HydrophobicContact CD-CG2 4.03Å; K354-D438 IonicContact NZ-OD2 2.89Å
355	L	56.8	Low	49.6	Very low	27 Å²	27	101.3 Å²	101.3	14%	0.141	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-99.1	144.4	175.9	-67.2	168.7	0	0	0	109.6	F147 L285 C357 F375 L432 V434	F147-L355 HydrophobicContact CD2-CD1 3.93Å; F147-L355 HydrophobicContact CE2-CD1 3.99Å; L285-L355 HydrophobicContact CD1-CD2 3.63Å; L355-C357 PolarHBondContact O-N 2.83Å; L355-C357 VanDerWaalsContact O-N 3.07Å; L355-F375 HydrophobicContact CD1-CD2 4.33Å; L355-F375 HydrophobicContact CD1-CE2 3.34Å; L355-F375 HydrophobicContact CD1-CZ 3.55Å; L355-L432 PolarHBondContact N-O 2.91Å; L355-V434 PolarHBondContact O-N 3.19Å
356	D	52.3	Low	48.8	Very low	77 Å²	77	94 Å²	94	41%	0.412	48%	0.48	S	S	.	.			trans	-71.9	100	170.7	-166.7	19.6	0	0	0	108.8	K358	D356-K358 PolarHBondContact O-N 3Å
357	C	50.9	Low	48.2	Very low	15 Å²	15	96.8 Å²	96.8	10%	0.101	49%	0.493	C	S	.	.			trans	-85.3	108.5	172.9	-55.7	0	0	0	0	106.9	L355 V359 C433	L355-C357 PolarHBondContact O-N 2.83Å; L355-C357 VanDerWaalsContact O-N 3.07Å; C357-V359 PolarHBondContact O-N 3.41Å; C357-C433 HydrophobicContact CB-CB 3.45Å; C357-C433 VanDerWaalsContact CB-CB 3.45Å; C357-C433 WeakPolarHBondContact CB-SG 3.49Å; C357-C433 WeakPolarHBondContact SG-CB 3.33Å; C357-C433 CovalentContact SG-SG 2.02Å; C357-C433 PolarHBondContact SG-SG 2.83Å
358	K	48.7	Very low	47.2	Very low	172 Å²	172	97.1 Å²	97.1	75%	0.748	50%	0.495	S	S	*	.			trans	-58.8	106.5	167.3	-71.6	-173.3	175.8	-172.9	0	107.8	D356	D356-K358 PolarHBondContact O-N 3Å
359	V	44.1	Very low	46	Very low	67 Å²	67	105.6 Å²	105.6	41%	0.406	53%	0.53	S	S	.	.			trans	-76.6	122.9	167.9	-176.7	0	0	0	0	106.4	C357 D361	C357-V359 PolarHBondContact O-N 3.41Å; V359-D361 PolarHBondContact O-N 3.08Å
360	E	37.6	Very low	44.4	Very low	141 Å²	141	107.4 Å²	107.4	66%	0.659	54%	0.539	S	S	*	.	S	Bend	trans	-61.8	58.8	-178.9	-64.8	-177.2	143.5	0	0	114.1	N374	E360-N374 PolarHBondContact OE1-ND2 3.47Å
361	D	39.2	Very low	43	Very low	114 Å²	114	113.5 Å²	113.5	61%	0.61	57%	0.573	S	S	*	*			trans	-111.8	3.5	173.8	-71.5	-36.7	0	0	0	113	V359 K363	V359-D361 PolarHBondContact O-N 3.08Å; D361-K363 PolarHBondContact O-N 3.27Å
362	E	38.2	Very low	41.6	Very low	160 Å²	160	118 Å²	118	75%	0.748	60%	0.598	S	S	*	*	S	Bend	trans	-85.2	110.3	164.3	-75.8	-177.4	171.6	0	0	107.6	D364	E362-D364 PolarHBondContact O-N 3.35Å
363	K	34.8	Very low	40.4	Very low	191 Å²	191	121.2 Å²	121.2	83%	0.83	62%	0.615	S	S	*	*			trans	-58.3	87.8	164.1	-69.9	177.4	178	177.4	0	107.4	D361 D365	D361-K363 PolarHBondContact O-N 3.27Å; K363-D365 VanDerWaalsContact C-N 3.29Å; K363-D365 PolarHBondContact O-N 3.36Å
364	D	34.3	Very low	39.6	Very low	150 Å²	150	122.5 Å²	122.5	80%	0.802	62%	0.622	S	S	*	*			trans	-72.1	95.4	167.1	-95.7	-20.7	0	0	0	107.1	E362 G366	E362-D364 PolarHBondContact O-N 3.35Å; D364-G366 PolarHBondContact O-N 3.13Å; D364-G366 VanDerWaalsContact O-N 3.12Å
365	D	33.3	Very low	39.1	Very low	152 Å²	152	121 Å²	121	81%	0.813	62%	0.616	S	S	*	*			trans	-55.9	107.6	163.8	-70.6	-37.8	0	0	0	108.7	K363	K363-D365 VanDerWaalsContact C-N 3.29Å; K363-D365 PolarHBondContact O-N 3.36Å
366	G	30.4	Very low	38.6	Very low	61 Å²	61	125.4 Å²	125.4	63%	0.629	64%	0.636	S	S	*	*	S	Bend	trans	71.3	117.6	150.6	0	0	0	0	0	117.9	D364	D364-G366 PolarHBondContact O-N 3.13Å; D364-G366 VanDerWaalsContact O-N 3.12Å
367	E	32.9	Very low	38.6	Very low	190 Å²	190	126 Å²	126	89%	0.888	64%	0.639	S	S	*	*			trans	84.1	18.2	140.3	-54.9	-168.4	159	0	0	120.7
368	N	31.2	Very low	39	Very low	166 Å²	166	126.3 Å²	126.3	89%	0.888	64%	0.639	S	S	*	*			trans	-124	69.4	162.1	-81.4	-33.4	0	0	0	112.6	N370	N368-N370 PolarHBondContact O-N 3.4Å
369	F	27.9	Very low	39.5	Very low	201 Å²	201	120.5 Å²	120.5	88%	0.882	62%	0.619	S	S	*	*			trans	-72.8	102.2	157.9	-91.3	-94	0	0	0	108.6
370	N	29.5	Very low	40.5	Very low	141 Å²	141	119.9 Å²	119.9	75%	0.754	61%	0.613	S	S	*	*	S	Bend	trans	-166.4	117.3	148.2	-90.1	-18.7	0	0	0	109.4	N368	N368-N370 PolarHBondContact O-N 3.4Å
371	D	34	Very low	41.8	Very low	147 Å²	147	113.5 Å²	113.5	79%	0.786	58%	0.583	S	S	*	*			trans	70.8	35.7	149.8	-52.5	-20.3	0	0	0	121.3
372	N	33.9	Very low	43.1	Very low	146 Å²	146	110.5 Å²	110.5	78%	0.781	57%	0.566	S	S	*	*			trans	-111.5	70.8	164.2	-78.7	-26.7	0	0	0	111.3	N374	N372-N374 PolarHBondContact O-N 3.41Å
373	E	38.4	Very low	44.5	Very low	138 Å²	138	104.5 Å²	104.5	65%	0.645	54%	0.538	S	S	*	.			trans	-67.6	117.9	168.4	-75.7	-176	175.5	0	0	110.3
374	N	45.6	Very low	46	Very low	40 Å²	40	95.4 Å²	95.4	21%	0.214	50%	0.499	C	S	.	.			trans	-57.6	156.6	-176.3	-73.3	-36.7	0	0	0	113	E360 N372 Q376 D377	E360-N374 PolarHBondContact OE1-ND2 3.47Å; N372-N374 PolarHBondContact O-N 3.41Å; N374-Q376 HydrophobicContact CB-CB 4.19Å; N374-Q376 HydrophobicContact CB-CG 4.26Å; N374-Q376 PolarHBondContact O-N 3.45Å; N374-D377 PolarHBondContact O-N 3.35Å; N374-D377 VanDerWaalsContact O-N 3.13Å
375	F	47.1	Very low	47.7	Very low	44 Å²	44	88.8 Å²	88.8	19%	0.193	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-58.2	-14.8	171.3	-156.1	-97.8	0	0	0	113	F308 L355 D377 M378	F308-F375 HydrophobicContact CE1-CD2 4.27Å; F308-F375 HydrophobicContact CE1-CE2 4.29Å; F308-F375 AromaticContact CZ-CD2 3.84Å; F308-F375 HydrophobicContact CZ-CD2 3.84Å; F308-F375 AromaticContact CZ-CE2 3.78Å; F308-F375 HydrophobicContact CZ-CE2 3.78Å; L355-F375 HydrophobicContact CD1-CD2 4.33Å; L355-F375 HydrophobicContact CD1-CE2 3.34Å; L355-F375 HydrophobicContact CD1-CZ 3.55Å; F375-D377 PolarHBondContact O-N 3.3Å; F375-M378 HydrophobicContact CD1-CE 4.43Å; F375-M378 HydrophobicContact CE1-CE 3.53Å; F375-M378 HydrophobicContact CE1-SD 4.01Å; F375-M378 HydrophobicContact CE2-CE 3.63Å; F375-M378 HydrophobicContact CZ-CE 3.08Å; F375-M378 HydrophobicContact CZ-SD 4.18Å; F375-M378 WeakPolarHBondContact O-CB 3.44Å; F375-M378 PolarHBondContact O-N 2.86Å
376	Q	46.1	Very low	49.3	Very low	120 Å²	120	81.7 Å²	81.7	56%	0.561	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.1	175.5	-64.1	-173.4	13	0	0	113.5	N374 M378 H429	N374-Q376 HydrophobicContact CB-CB 4.19Å; N374-Q376 HydrophobicContact CB-CG 4.26Å; N374-Q376 PolarHBondContact O-N 3.45Å; Q376-M378 VanDerWaalsContact C-N 3.27Å; Q376-M378 PolarHBondContact O-N 3.26Å; Q376-H429 PolarHBondContact NE2-NE2 3Å; Q376-H429 VanDerWaalsContact NE2-NE2 3.12Å
377	D	52.6	Low	51.1	Low	89 Å²	89	78.8 Å²	78.8	48%	0.476	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-89.8	14.5	-179.7	-60.2	-38.5	0	0	0	113.5	N374 F375	N374-D377 PolarHBondContact O-N 3.35Å; N374-D377 VanDerWaalsContact O-N 3.13Å; F375-D377 PolarHBondContact O-N 3.3Å
378	M	60	Low	52.8	Low	22 Å²	22	71.2 Å²	71.2	11%	0.108	36%	0.359	C	S	.	.			trans	-63.4	124.7	178.2	-163.4	-175.2	-112.2	0	0	109.8	P145 F304 F375 Q376 L380	P145-M378 HydrophobicContact CB-CE 3.8Å; P145-M378 HydrophobicContact CB-SD 3.77Å; P145-M378 WeakPolarHBondContact CD-SD 3.22Å; P145-M378 HydrophobicContact CG-CE 4.08Å; P145-M378 HydrophobicContact CG-CG 3.89Å; P145-M378 HydrophobicContact CG-SD 3.44Å; P145-M378 WeakPolarHBondContact CG-SD 3.43Å; F304-M378 HydrophobicContact CE1-CE 3.39Å; F304-M378 HydrophobicContact CE1-CG 4.44Å; F304-M378 HydrophobicContact CZ-CE 3.38Å; F304-M378 HydrophobicContact CZ-CG 3.76Å; F304-M378 HydrophobicContact CZ-SD 4.07Å; F375-M378 HydrophobicContact CD1-CE 4.43Å; F375-M378 HydrophobicContact CE1-CE 3.53Å; F375-M378 HydrophobicContact CE1-SD 4.01Å; F375-M378 HydrophobicContact CE2-CE 3.63Å; F375-M378 HydrophobicContact CZ-CE 3.08Å; F375-M378 HydrophobicContact CZ-SD 4.18Å; F375-M378 WeakPolarHBondContact O-CB 3.44Å; F375-M378 PolarHBondContact O-N 2.86Å; Q376-M378 VanDerWaalsContact C-N 3.27Å; Q376-M378 PolarHBondContact O-N 3.26Å; M378-L380 PolarHBondContact O-N 3.48Å
379	P	58.8	Low	54.6	Low	50 Å²	50	64.6 Å²	64.6	33%	0.325	33%	0.325	S	S	.	.			trans	-66.4	115.3	-177.8	27.5	-35.7	0	0	0	109.5	L300 Y303 M381	L300-P379 HydrophobicContact CD1-CB 4.43Å; L300-P379 HydrophobicContact CD1-CG 3.29Å; Y303-P379 HydrophobicContact CD1-CG 4.24Å; Y303-P379 HydrophobicContact CE1-CG 4.18Å; P379-M381 PolarHBondContact O-N 3.45Å
380	L	63.9	Low	56.8	Low	54 Å²	54	61.7 Å²	61.7	28%	0.283	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.7	130.8	173.2	-63.5	170.8	0	0	0	108.5	M378 M428	M378-L380 PolarHBondContact O-N 3.48Å; L380-M428 HydrophobicContact CD2-CE 3.24Å
381	M	64.8	Low	58.9	Low	7 Å²	7	61.9 Å²	61.9	3%	0.034	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.4	174.4	-78.5	167	145.9	0	0	108.3	Q107 Q142 L143 L296 N297 L300 P379	Q107-M381 HydrophobicContact CG-CB 4.37Å; Q107-M381 VanDerWaalsContact NE2-CE 3.33Å; Q107-M381 PolarHBondContact NE2-SD 3.31Å; Q142-M381 CarbonylContact C-O 3.5Å; Q142-M381 WeakPolarHBondContact CA-O 2.99Å; L143-M381 HydrophobicContact CB-CB 3.88Å; L143-M381 HydrophobicContact CD1-CB 4.33Å; L143-M381 PolarHBondContact N-O 3.29Å; L143-M381 PolarHBondContact O-N 2.9Å; L296-M381 HydrophobicContact CD2-SD 4.31Å; N297-M381 HydrophobicContact CB-CE 3.7Å; L300-M381 HydrophobicContact CB-CE 3.62Å; L300-M381 HydrophobicContact CD2-CE 3.11Å; L300-M381 HydrophobicContact CD2-CG 4.31Å; L300-M381 HydrophobicContact CD2-SD 3.3Å; L300-M381 WeakPolarHBondContact CD2-SD 3.39Å; L300-M381 HydrophobicContact CG-CE 3.89Å; P379-M381 PolarHBondContact O-N 3.45Å
382	E	67.1	Low	60.6	Low	52 Å²	52	55.2 Å²	55.2	24%	0.243	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.4	-179.5	-58.1	-155.2	151.3	0	0	110.2	Q107 F108 S139 Q142	Q107-E382 CarbonylContact C-O 3.53Å; Q107-E382 WeakPolarHBondContact CA-O 3.2Å; F108-E382 HydrophobicContact CD1-CB 4.44Å; F108-E382 HydrophobicContact CD2-CB 3.99Å; F108-E382 HydrophobicContact CE1-CB 3.94Å; F108-E382 HydrophobicContact CE2-CB 3.46Å; F108-E382 VanDerWaalsContact CE2-CB 3.46Å; F108-E382 HydrophobicContact CE2-CG 4.17Å; F108-E382 VanDerWaalsContact CE2-OE2 3.31Å; F108-E382 WeakPolarHBondContact CE2-OE2 3.43Å; F108-E382 HydrophobicContact CG-CB 4.46Å; F108-E382 HydrophobicContact CZ-CB 3.44Å; F108-E382 VanDerWaalsContact CZ-CB 3.44Å; F108-E382 HydrophobicContact CZ-CG 4.42Å; F108-E382 WeakPolarHBondContact CZ-OE2 3.3Å; F108-E382 PolarHBondContact N-O 3.35Å; F108-E382 PolarHBondContact O-N 2.98Å; S139-E382 VanDerWaalsContact CB-OE2 3.32Å; S139-E382 WeakPolarHBondContact CB-OE2 3.36Å; S139-E382 PolarHBondContact OG-OE2 3.02Å; S139-E382 VanDerWaalsContact OG-OE2 3.14Å; Q142-E382 HydrophobicContact CG-CG 4.29Å; Q142-E382 PolarHBondContact NE2-OE1 3.48Å
383	M	67.9	Low	62.4	Low	34 Å²	34	49.6 Å²	49.6	17%	0.167	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135	169.4	-72.3	-173.1	163.5	0	0	109.5	F106 Q107 S139 F140 T141 L143	F106-M383 CarbonylContact O-C 3.52Å; F106-M383 WeakPolarHBondContact O-CA 3.37Å; Q107-M383 HydrophobicContact CB-CG 4.46Å; S139-M383 CarbonylContact C-O 3.53Å; S139-M383 VanDerWaalsContact CA-O 3.3Å; S139-M383 WeakPolarHBondContact CA-O 3.28Å; F140-M383 PolarHBondContact N-O 3.19Å; T141-M383 HydrophobicContact CG2-CB 3.8Å; T141-M383 HydrophobicContact CG2-CG 4.06Å; T141-M383 HydrophobicContact CG2-SD 3.78Å; T141-M383 PolarHBondContact O-N 2.83Å; L143-M383 HydrophobicContact CD1-CE 3.37Å; L143-M383 HydrophobicContact CD1-CG 3.76Å; L143-M383 HydrophobicContact CD1-SD 4.06Å; L143-M383 HydrophobicContact CD2-CE 3.72Å; L143-M383 HydrophobicContact CD2-CG 4.3Å; L143-M383 HydrophobicContact CD2-SD 3.87Å; L143-M383 HydrophobicContact CG-CE 3.97Å; L143-M383 HydrophobicContact CG-CG 3.92Å; L143-M383 HydrophobicContact CG-SD 4.14Å
384	G	65.7	Low	64.1	Low	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-172.6	173.8	0	0	0	0	0	110.9	F106	F106-G384 PolarHBondContact N-O 3.11Å; F106-G384 PolarHBondContact O-N 3.17Å
385	F	69.6	Low	65.4	Low	11 Å²	11	53.2 Å²	53.2	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.4	179.2	-61	-94	0	0	0	110.4	L103 C104 L105 T137 F140 M396	L103-F385 HydrophobicContact CB-CB 4.48Å; L103-F385 HydrophobicContact CB-CD1 4.07Å; L103-F385 HydrophobicContact CD1-CD1 4.42Å; L103-F385 HydrophobicContact CD2-CB 4.47Å; C104-F385 CarbonylContact O-C 3.43Å; C104-F385 VanDerWaalsContact O-CA 3.28Å; C104-F385 WeakPolarHBondContact O-CA 3.23Å; L105-F385 HydrophobicContact CB-CD1 4.2Å; L105-F385 HydrophobicContact CB-CE1 4Å; L105-F385 HydrophobicContact CD1-CD1 4.19Å; L105-F385 HydrophobicContact CD1-CE1 3.78Å; L105-F385 HydrophobicContact CD1-CE2 4.11Å; L105-F385 HydrophobicContact CD1-CZ 3.73Å; L105-F385 HydrophobicContact CG-CE1 4.47Å; T137-F385 HydrophobicContact CG2-CB 3.76Å; T137-F385 PolarHBondContact N-O 3.05Å; T137-F385 PolarHBondContact OG1-N 3.34Å; T137-F385 PolarHBondContact OG1-O 2.85Å; F140-F385 HydrophobicContact CB-CE2 4.48Å; F385-M396 HydrophobicContact CD1-CE 3.84Å; F385-M396 HydrophobicContact CD2-CE 3.42Å; F385-M396 VanDerWaalsContact CD2-CE 3.42Å; F385-M396 HydrophobicContact CD2-CG 4.15Å; F385-M396 HydrophobicContact CE1-CE 3.65Å; F385-M396 HydrophobicContact CE2-CE 3.23Å; F385-M396 HydrophobicContact CG-CE 3.72Å; F385-M396 HydrophobicContact CZ-CE 3.35Å
386	L	67.1	Low	66.7	Low	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134	174.3	-158	123.4	0	0	0	109.5	I93 L96 C104 M116 P134 I136	I93-L386 HydrophobicContact CG1-CD2 4.37Å; L96-L386 HydrophobicContact CD1-CB 4.17Å; L96-L386 HydrophobicContact CD1-CD2 3.24Å; L96-L386 HydrophobicContact CD1-CG 4.26Å; C104-L386 PolarHBondContact N-O 2.95Å; C104-L386 PolarHBondContact O-N 2.93Å; M116-L386 HydrophobicContact CE-CD1 3.71Å; M116-L386 HydrophobicContact SD-CD1 3.71Å; P134-L386 HydrophobicContact CB-CD1 4.01Å; P134-L386 HydrophobicContact CB-CD2 3.46Å; P134-L386 VanDerWaalsContact CB-CD2 3.46Å; P134-L386 HydrophobicContact CB-CG 3.71Å; P134-L386 HydrophobicContact CG-CD1 4.21Å; P134-L386 HydrophobicContact CG-CD2 4.17Å; P134-L386 HydrophobicContact CG-CG 4.43Å; I136-L386 HydrophobicContact CG1-CD1 4.22Å
387	T	68.4	Low	68.2	Low	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152	179	-169.6	0	0	0	0	112.5	L103 Y135 S389 L393	L103-T387 HydrophobicContact CD2-CG2 4.18Å; Y135-T387 WeakPolarHBondContact CA-O 3.35Å; Y135-T387 WeakPolarHBondContact CB-O 3.39Å; Y135-T387 PolarHBondContact N-O 2.92Å; Y135-T387 PolarHBondContact O-N 3.35Å; T387-S389 PolarHBondContact OG1-N 3.48Å; T387-L393 HydrophobicContact CG2-CB 3.87Å
388	F	68.8	Low	69.2	Low	31 Å²	31	47.5 Å²	47.5	14%	0.136	23%	0.229	C	C	.	.	S	Bend	trans	-96.3	-5.1	169.6	-66.5	-58.2	0	0	0	113.1	I93 L96 P132 P134	I93-F388 HydrophobicContact CG2-CZ 4.2Å; L96-F388 HydrophobicContact CB-CD2 3.56Å; L96-F388 HydrophobicContact CB-CE2 3.42Å; L96-F388 VanDerWaalsContact CB-CE2 3.42Å; P132-F388 HydrophobicContact CG-CD1 3.87Å; P132-F388 HydrophobicContact CG-CE1 4.28Å; P132-F388 HydrophobicContact CG-CG 4.38Å; P132-F388 WeakPolarHBondContact O-CE1 3.4Å; P134-F388 HydrophobicContact CB-CD1 4.11Å; P134-F388 HydrophobicContact CB-CE1 3.63Å; P134-F388 HydrophobicContact CB-CZ 4.33Å; P134-F388 HydrophobicContact CG-CE1 4.31Å
389	S	70.1	Confident	70	Confident	26 Å²	26	49.6 Å²	49.6	18%	0.182	24%	0.237	C	C	.	.			trans	-100.3	115.8	-176.8	168.1	0	0	0	0	110.5	K100 T387 K391 S392 L393	K100-S389 VanDerWaalsContact O-CB 3.27Å; K100-S389 WeakPolarHBondContact O-CB 3.33Å; T387-S389 PolarHBondContact OG1-N 3.48Å; S389-K391 PolarHBondContact O-N 2.95Å; S389-S392 WeakPolarHBondContact CB-OG 3.43Å; S389-S392 PolarHBondContact O-N 3.41Å; S389-S392 PolarHBondContact OG-N 3.41Å; S389-S392 VanDerWaalsContact OG-N 3.15Å; S389-S392 PolarHBondContact OG-OG 3.06Å; S389-L393 PolarHBondContact O-N 3.27Å
390	E	73.2	Confident	70.7	Confident	141 Å²	141	47.9 Å²	47.9	66%	0.659	23%	0.225	S	C	*	.	H	α-helix	trans	-59.3	-35.2	174.5	-172.2	-178.3	-179.5	0	0	111.7	Y135 L393 W394	Y135-E390 HydrophobicContact CE2-CB 4.29Å; E390-L393 WeakPolarHBondContact O-CB 3.23Å; E390-L393 PolarHBondContact O-N 3.05Å; E390-W394 PolarHBondContact O-N 3.06Å
391	K	73.5	Confident	71.3	Confident	145 Å²	145	50.8 Å²	50.8	63%	0.63	24%	0.235	S	C	*	.	H	α-helix	trans	-63.1	-47.4	175.3	-177.4	177.7	173.3	-178.3	0	111.4	S389 L393 W394 E395	S389-K391 PolarHBondContact O-N 2.95Å; K391-L393 VanDerWaalsContact C-N 3.33Å; K391-L393 PolarHBondContact O-N 3.48Å; K391-W394 PolarHBondContact O-N 2.96Å; K391-E395 WeakPolarHBondContact CE-OE1 3.42Å; K391-E395 IonicContact NZ-OE1 2.7Å; K391-E395 WeakPolarHBondContact O-CG 3.38Å; K391-E395 PolarHBondContact O-N 3.4Å
392	S	69.4	Low	72	Confident	7 Å²	7	56.5 Å²	56.5	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-35.8	179.9	-55.4	0	0	0	0	111.5	S389 M396	S389-S392 WeakPolarHBondContact CB-OG 3.43Å; S389-S392 PolarHBondContact O-N 3.41Å; S389-S392 PolarHBondContact OG-N 3.41Å; S389-S392 VanDerWaalsContact OG-N 3.15Å; S389-S392 PolarHBondContact OG-OG 3.06Å; S392-M396 WeakPolarHBondContact O-CB 3.28Å; S392-M396 PolarHBondContact O-N 2.8Å
393	L	72.7	Confident	72.2	Confident	28 Å²	28	55 Å²	55	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-50	171.4	176.3	72.6	0	0	0	111.3	Y135 I136 T137 T387 S389 E390 K391 M396 N397	Y135-L393 HydrophobicContact CD1-CD2 4.06Å; Y135-L393 HydrophobicContact CG-CD2 3.9Å; I136-L393 WeakPolarHBondContact O-CD1 3.47Å; T137-L393 HydrophobicContact CG2-CD1 3.94Å; T387-L393 HydrophobicContact CG2-CB 3.87Å; S389-L393 PolarHBondContact O-N 3.27Å; E390-L393 WeakPolarHBondContact O-CB 3.23Å; E390-L393 PolarHBondContact O-N 3.05Å; K391-L393 VanDerWaalsContact C-N 3.33Å; K391-L393 PolarHBondContact O-N 3.48Å; L393-M396 PolarHBondContact O-N 3.31Å; L393-N397 VanDerWaalsContact O-CB 3.3Å; L393-N397 WeakPolarHBondContact O-CB 3.43Å; L393-N397 VanDerWaalsContact O-CG 3.26Å; L393-N397 PolarHBondContact O-N 3.44Å; L393-N397 PolarHBondContact O-ND2 2.94Å
394	W	73.9	Confident	72.4	Confident	171 Å²	171	56.8 Å²	56.8	65%	0.648	26%	0.258	S	S	*	.	H	α-helix	trans	-63.7	-49	-179.2	-176.5	87.3	0	0	0	111.5	E390 K391 M396 N397 V398	E390-W394 PolarHBondContact O-N 3.06Å; K391-W394 PolarHBondContact O-N 2.96Å; W394-M396 VanDerWaalsContact C-N 3.33Å; W394-M396 PolarHBondContact O-N 2.8Å; W394-N397 PolarHBondContact O-N 3.45Å; W394-V398 HydrophobicContact CD2-CG2 4.01Å; W394-V398 HydrophobicContact CE3-CG2 4.32Å; W394-V398 HydrophobicContact CH2-CG2 4.2Å; W394-V398 HydrophobicContact CZ2-CG2 3.87Å; W394-V398 HydrophobicContact CZ3-CG2 4.41Å; W394-V398 VanDerWaalsContact O-CG2 3.29Å; W394-V398 WeakPolarHBondContact O-CG2 3.44Å; W394-V398 PolarHBondContact O-N 3.25Å
395	E	73.7	Confident	72.9	Confident	82 Å²	82	62.4 Å²	62.4	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-44.9	178.3	-73.5	175.3	175.6	0	0	111.4	K391 V398 Y399	K391-E395 WeakPolarHBondContact CE-OE1 3.42Å; K391-E395 IonicContact NZ-OE1 2.7Å; K391-E395 WeakPolarHBondContact O-CG 3.38Å; K391-E395 PolarHBondContact O-N 3.4Å; E395-V398 PolarHBondContact O-N 3.48Å; E395-Y399 WeakPolarHBondContact O-CB 3.33Å; E395-Y399 PolarHBondContact O-N 3.22Å
396	M	73.8	Confident	73.2	Confident	13 Å²	13	64.1 Å²	64.1	6%	0.064	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-41.1	179.4	-168.6	56	138.1	0	0	112.3	L103 T137 F385 S392 L393 W394 V398 Y399 L400	L103-M396 HydrophobicContact CD1-CB 4.24Å; L103-M396 HydrophobicContact CD1-CE 3.53Å; L103-M396 HydrophobicContact CD1-CG 3.99Å; L103-M396 HydrophobicContact CD1-SD 4.04Å; T137-M396 HydrophobicContact CG2-CB 3.95Å; T137-M396 HydrophobicContact CG2-CG 3.8Å; F385-M396 HydrophobicContact CD1-CE 3.84Å; F385-M396 HydrophobicContact CD2-CE 3.42Å; F385-M396 VanDerWaalsContact CD2-CE 3.42Å; F385-M396 HydrophobicContact CD2-CG 4.15Å; F385-M396 HydrophobicContact CE1-CE 3.65Å; F385-M396 HydrophobicContact CE2-CE 3.23Å; F385-M396 HydrophobicContact CG-CE 3.72Å; F385-M396 HydrophobicContact CZ-CE 3.35Å; S392-M396 WeakPolarHBondContact O-CB 3.28Å; S392-M396 PolarHBondContact O-N 2.8Å; L393-M396 PolarHBondContact O-N 3.31Å; W394-M396 VanDerWaalsContact C-N 3.33Å; W394-M396 PolarHBondContact O-N 2.8Å; M396-V398 VanDerWaalsContact C-N 3.35Å; M396-V398 PolarHBondContact O-N 2.87Å; M396-Y399 PolarHBondContact O-N 3.06Å; M396-Y399 HydrophobicContact SD-CD1 4.14Å; M396-L400 HydrophobicContact CG-CD1 4.14Å; M396-L400 HydrophobicContact CG-CG 4.32Å; M396-L400 WeakPolarHBondContact O-CB 3.28Å; M396-L400 VanDerWaalsContact O-CG 3.23Å; M396-L400 WeakPolarHBondContact O-CG 3.12Å; M396-L400 PolarHBondContact O-N 3.36Å; M396-L400 HydrophobicContact SD-CG 4.41Å
397	N	76.3	Confident	73.2	Confident	50 Å²	50	65 Å²	65	27%	0.267	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-39.1	176.9	-78	-23.7	0	0	0	112.2	T137 R138 L393 W394 K401	T137-N397 WeakPolarHBondContact CA-OD1 3.46Å; T137-N397 WeakPolarHBondContact CB-OD1 3.24Å; R138-N397 PolarHBondContact N-OD1 2.84Å; L393-N397 VanDerWaalsContact O-CB 3.3Å; L393-N397 WeakPolarHBondContact O-CB 3.43Å; L393-N397 VanDerWaalsContact O-CG 3.26Å; L393-N397 PolarHBondContact O-N 3.44Å; L393-N397 PolarHBondContact O-ND2 2.94Å; W394-N397 PolarHBondContact O-N 3.45Å; N397-K401 VanDerWaalsContact O-CB 3.31Å; N397-K401 WeakPolarHBondContact O-CB 3.5Å; N397-K401 PolarHBondContact O-N 3.44Å
398	V	75.5	Confident	73.2	Confident	70 Å²	70	71.7 Å²	71.7	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-64.2	-43.4	173.3	171.7	0	0	0	0	110.4	W394 E395 M396 K401 Y402	W394-V398 HydrophobicContact CD2-CG2 4.01Å; W394-V398 HydrophobicContact CE3-CG2 4.32Å; W394-V398 HydrophobicContact CH2-CG2 4.2Å; W394-V398 HydrophobicContact CZ2-CG2 3.87Å; W394-V398 HydrophobicContact CZ3-CG2 4.41Å; W394-V398 VanDerWaalsContact O-CG2 3.29Å; W394-V398 WeakPolarHBondContact O-CG2 3.44Å; W394-V398 PolarHBondContact O-N 3.25Å; E395-V398 PolarHBondContact O-N 3.48Å; M396-V398 VanDerWaalsContact C-N 3.35Å; M396-V398 PolarHBondContact O-N 2.87Å; V398-K401 PolarHBondContact O-N 3.36Å; V398-Y402 WeakPolarHBondContact O-CB 3.39Å; V398-Y402 PolarHBondContact O-N 3.35Å
399	Y	76.2	Confident	72.9	Confident	67 Å²	67	70.9 Å²	70.9	26%	0.263	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-45.5	178.2	-176	-111.6	0	0	0	112.8	V71 E395 M396 K401 Y402 L403	V71-Y399 HydrophobicContact CG1-CE1 4.47Å; E395-Y399 WeakPolarHBondContact O-CB 3.33Å; E395-Y399 PolarHBondContact O-N 3.22Å; M396-Y399 PolarHBondContact O-N 3.06Å; M396-Y399 HydrophobicContact SD-CD1 4.14Å; Y399-K401 VanDerWaalsContact C-N 3.34Å; Y399-K401 PolarHBondContact O-N 2.87Å; Y399-Y402 WeakPolarHBondContact O-CB 3.21Å; Y399-Y402 PolarHBondContact O-N 3.48Å; Y399-L403 HydrophobicContact CD1-CD1 3.93Å; Y399-L403 HydrophobicContact CD1-CG 4.42Å; Y399-L403 HydrophobicContact CE1-CD1 3.43Å; Y399-L403 VanDerWaalsContact CE1-CD1 3.43Å; Y399-L403 HydrophobicContact CE1-CG 4.06Å; Y399-L403 HydrophobicContact CE2-CG 4.42Å; Y399-L403 WeakPolarHBondContact O-CG 3.22Å; Y399-L403 PolarHBondContact O-N 2.9Å
400	L	74	Confident	72.4	Confident	14 Å²	14	74.4 Å²	74.4	7%	0.073	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-42.5	176	-72.9	175.1	0	0	0	111.7	R138 F140 M396 L403 Q404	R138-L400 WeakPolarHBondContact O-CD1 3.29Å; F140-L400 HydrophobicContact CB-CD2 4.09Å; F140-L400 HydrophobicContact CD2-CD2 3.51Å; F140-L400 HydrophobicContact CE2-CD2 4.42Å; F140-L400 HydrophobicContact CG-CD2 4.26Å; M396-L400 HydrophobicContact CG-CD1 4.14Å; M396-L400 HydrophobicContact CG-CG 4.32Å; M396-L400 WeakPolarHBondContact O-CB 3.28Å; M396-L400 VanDerWaalsContact O-CG 3.23Å; M396-L400 WeakPolarHBondContact O-CG 3.12Å; M396-L400 PolarHBondContact O-N 3.36Å; M396-L400 HydrophobicContact SD-CG 4.41Å; L400-L403 PolarHBondContact O-N 3.45Å; L400-Q404 WeakPolarHBondContact O-CB 3.47Å; L400-Q404 PolarHBondContact O-N 2.85Å
401	K	76.1	Confident	71.7	Confident	114 Å²	114	73.3 Å²	73.3	50%	0.496	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-44.6	174	-175.5	175.8	179.9	-179.6	0	111.3	N397 V398 Y399 L403 Q404 D405	N397-K401 VanDerWaalsContact O-CB 3.31Å; N397-K401 WeakPolarHBondContact O-CB 3.5Å; N397-K401 PolarHBondContact O-N 3.44Å; V398-K401 PolarHBondContact O-N 3.36Å; Y399-K401 VanDerWaalsContact C-N 3.34Å; Y399-K401 PolarHBondContact O-N 2.87Å; K401-L403 PolarHBondContact O-N 2.92Å; K401-Q404 PolarHBondContact O-N 2.77Å; K401-D405 WeakPolarHBondContact O-CB 3.32Å; K401-D405 VanDerWaalsContact O-CG 3.27Å; K401-D405 PolarHBondContact O-N 3Å
402	Y	78.3	Confident	71	Confident	127 Å²	127	67.4 Å²	67.4	50%	0.498	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.6	173.8	-98.5	0	0	0	112.6	V398 Y399 Q404 S406	V398-Y402 WeakPolarHBondContact O-CB 3.39Å; V398-Y402 PolarHBondContact O-N 3.35Å; Y399-Y402 WeakPolarHBondContact O-CB 3.21Å; Y399-Y402 PolarHBondContact O-N 3.48Å; Y402-Q404 VanDerWaalsContact C-N 3.34Å; Y402-Q404 PolarHBondContact O-N 3.17Å; Y402-S406 WeakPolarHBondContact O-CB 3.36Å; Y402-S406 PolarHBondContact O-N 3.14Å; Y402-S406 PolarHBondContact O-OG 3.39Å
403	L	72.1	Confident	70.2	Confident	22 Å²	22	73 Å²	73	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-38.5	175.7	-74.8	179.1	0	0	0	112.6	Y399 L400 K401 S406 G407 R408 L409	Y399-L403 HydrophobicContact CD1-CD1 3.93Å; Y399-L403 HydrophobicContact CD1-CG 4.42Å; Y399-L403 HydrophobicContact CE1-CD1 3.43Å; Y399-L403 VanDerWaalsContact CE1-CD1 3.43Å; Y399-L403 HydrophobicContact CE1-CG 4.06Å; Y399-L403 HydrophobicContact CE2-CG 4.42Å; Y399-L403 WeakPolarHBondContact O-CG 3.22Å; Y399-L403 PolarHBondContact O-N 2.9Å; L400-L403 PolarHBondContact O-N 3.45Å; K401-L403 PolarHBondContact O-N 2.92Å; L403-S406 PolarHBondContact O-OG 3.03Å; L403-G407 PolarHBondContact O-N 3.49Å; L403-R408 HydrophobicContact CD2-CB 4.21Å; L403-R408 PolarHBondContact O-N 3.48Å; L403-L409 HydrophobicContact CB-CB 4.45Å; L403-L409 PolarHBondContact O-N 3.4Å
404	Q	73.1	Confident	69	Low	70 Å²	70	75 Å²	75	33%	0.327	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-49.7	176.2	-172.7	175.1	13.1	0	0	111.3	R138 L400 K401 Y402 S406 G407	R138-Q404 VanDerWaalsContact CZ-OE1 3.26Å; L400-Q404 WeakPolarHBondContact O-CB 3.47Å; L400-Q404 PolarHBondContact O-N 2.85Å; K401-Q404 PolarHBondContact O-N 2.77Å; Y402-Q404 VanDerWaalsContact C-N 3.34Å; Y402-Q404 PolarHBondContact O-N 3.17Å; Q404-S406 VanDerWaalsContact C-N 3.35Å; Q404-S406 PolarHBondContact O-N 3.47Å; Q404-G407 PolarHBondContact O-N 3.43Å
405	D	74.5	Confident	67.8	Low	118 Å²	118	72.6 Å²	72.6	63%	0.631	35%	0.348	S	S	*	.	H	α-helix	trans	-68.2	-33.3	-177.7	-68.6	-14.1	0	0	0	112.1	K401 G407	K401-D405 WeakPolarHBondContact O-CB 3.32Å; K401-D405 VanDerWaalsContact O-CG 3.27Å; K401-D405 PolarHBondContact O-N 3Å; D405-G407 VanDerWaalsContact C-N 3.25Å; D405-G407 PolarHBondContact O-N 2.9Å
406	S	76.7	Confident	66.6	Low	48 Å²	48	75.8 Å²	75.8	34%	0.336	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.7	177.2	62.8	0	0	0	0	114.1	Y402 L403 Q404 R408	Y402-S406 WeakPolarHBondContact O-CB 3.36Å; Y402-S406 PolarHBondContact O-N 3.14Å; Y402-S406 PolarHBondContact O-OG 3.39Å; L403-S406 PolarHBondContact O-OG 3.03Å; Q404-S406 VanDerWaalsContact C-N 3.35Å; Q404-S406 PolarHBondContact O-N 3.47Å; S406-R408 PolarHBondContact O-N 3.35Å; S406-R408 WeakPolarHBondContact OG-CG 3.24Å
407	G	67.6	Low	65.3	Low	21 Å²	21	80.3 Å²	80.3	22%	0.216	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	1.7	-174.9	0	0	0	0	0	114.6	L403 Q404 D405 L409 Y410 N411	L403-G407 PolarHBondContact O-N 3.49Å; Q404-G407 PolarHBondContact O-N 3.43Å; D405-G407 VanDerWaalsContact C-N 3.25Å; D405-G407 PolarHBondContact O-N 2.9Å; G407-L409 PolarHBondContact O-N 3.46Å; G407-Y410 PolarHBondContact O-N 2.7Å; G407-N411 PolarHBondContact O-N 2.86Å
408	R	67.6	Low	64	Low	141 Å²	141	81 Å²	81	53%	0.532	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.8	-178.8	-74	-175.2	177.9	-167	0.6	111.9	L403 S406 Y410 N411 I412	L403-R408 HydrophobicContact CD2-CB 4.21Å; L403-R408 PolarHBondContact O-N 3.48Å; S406-R408 PolarHBondContact O-N 3.35Å; S406-R408 WeakPolarHBondContact OG-CG 3.24Å; R408-Y410 VanDerWaalsContact C-N 3.32Å; R408-Y410 PolarHBondContact O-N 2.89Å; R408-N411 PolarHBondContact O-N 2.88Å; R408-N411 VanDerWaalsContact O-N 3.14Å; R408-I412 WeakPolarHBondContact O-CG1 3.29Å; R408-I412 PolarHBondContact O-N 2.99Å
409	L	63.1	Low	62.7	Low	13 Å²	13	78.4 Å²	78.4	7%	0.068	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-45.7	175.7	-167.2	68.6	0	0	0	111.7	F140 L403 G407 N411 I412 F422	F140-L409 HydrophobicContact CD2-CD1 3.87Å; F140-L409 HydrophobicContact CE2-CD1 3.15Å; F140-L409 HydrophobicContact CZ-CD1 3.61Å; L403-L409 HydrophobicContact CB-CB 4.45Å; L403-L409 PolarHBondContact O-N 3.4Å; G407-L409 PolarHBondContact O-N 3.46Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 2.86Å; L409-I412 HydrophobicContact CD1-CD1 4.44Å; L409-F422 HydrophobicContact CB-CE2 4.46Å; L409-F422 HydrophobicContact CD1-CE1 4.28Å; L409-F422 HydrophobicContact CD1-CE2 3.96Å; L409-F422 HydrophobicContact CD1-CZ 3.57Å; L409-F422 HydrophobicContact CD2-CD1 4.19Å; L409-F422 HydrophobicContact CD2-CD2 4.48Å; L409-F422 HydrophobicContact CD2-CE1 3.8Å; L409-F422 HydrophobicContact CD2-CE2 4.15Å; L409-F422 HydrophobicContact CD2-CZ 3.82Å; L409-F422 HydrophobicContact CG-CD2 4.07Å; L409-F422 HydrophobicContact CG-CE1 3.96Å; L409-F422 HydrophobicContact CG-CE2 3.47Å; L409-F422 VanDerWaalsContact CG-CE2 3.47Å; L409-F422 HydrophobicContact CG-CZ 3.42Å; L409-F422 VanDerWaalsContact CG-CZ 3.42Å; L409-F422 VanDerWaalsContact O-CE2 3.26Å; L409-F422 WeakPolarHBondContact O-CE2 3.47Å
410	Y	59.2	Low	61.5	Low	100 Å²	100	76.3 Å²	76.3	39%	0.392	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.8	178.6	-55.6	-84.4	0	0	0	113.6	G407 R408 F422	G407-Y410 PolarHBondContact O-N 2.7Å; R408-Y410 VanDerWaalsContact C-N 3.32Å; R408-Y410 PolarHBondContact O-N 2.89Å; Y410-F422 HydrophobicContact CD1-CB 3.66Å; Y410-F422 HydrophobicContact CD1-CD2 4.2Å; Y410-F422 HydrophobicContact CD1-CG 4.31Å; Y410-F422 HydrophobicContact CE1-CB 3.44Å; Y410-F422 VanDerWaalsContact CE1-CB 3.44Å; Y410-F422 HydrophobicContact CE1-CG 4.26Å
411	N	57.7	Low	60.4	Low	118 Å²	118	78.7 Å²	78.7	63%	0.631	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	7	-177.6	-84.8	-28.7	0	0	0	113.7	G407 R408 L409 K413	G407-N411 PolarHBondContact O-N 2.86Å; R408-N411 PolarHBondContact O-N 2.88Å; R408-N411 VanDerWaalsContact O-N 3.14Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 2.86Å; N411-K413 PolarHBondContact O-N 2.95Å
412	I	59.1	Low	59.1	Low	21 Å²	21	74.5 Å²	74.5	11%	0.108	37%	0.369	C	S	.	.			trans	-67	103.9	171.5	-57.9	176.8	0	0	0	107	Q76 R408 L409 A419 F420	Q76-I412 HydrophobicContact CG-CG2 4.37Å; R408-I412 WeakPolarHBondContact O-CG1 3.29Å; R408-I412 PolarHBondContact O-N 2.99Å; L409-I412 HydrophobicContact CD1-CD1 4.44Å; I412-A419 HydrophobicContact CG2-CB 4.01Å; I412-A419 WeakPolarHBondContact O-CB 3.38Å; I412-A419 PolarHBondContact O-N 3.41Å; I412-F420 HydrophobicContact CB-CD2 4.13Å; I412-F420 HydrophobicContact CB-CE2 4.45Å; I412-F420 HydrophobicContact CD1-CD2 4.26Å; I412-F420 HydrophobicContact CD1-CE2 4.24Å; I412-F420 HydrophobicContact CG2-CD2 4.17Å; I412-F420 HydrophobicContact CG2-CE2 4.04Å
413	K	52	Low	57.8	Low	125 Å²	125	69 Å²	69	54%	0.543	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.9	175.7	-66.8	-176.8	-178.5	-174.7	0	110.4	Q76 N411 E417	Q76-K413 PolarHBondContact NE2-O 2.95Å; N411-K413 PolarHBondContact O-N 2.95Å; K413-E417 CarbonylContact C-O 3.49Å; K413-E417 WeakPolarHBondContact CA-O 3.48Å; K413-E417 WeakPolarHBondContact CB-O 3.47Å
414	H	47.6	Very low	56.7	Low	71 Å²	71	71.6 Å²	71.6	33%	0.329	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.9	164.6	-174.6	-83.2	0	0	0	107.1	N416 E417 A419	H414-N416 PolarHBondContact O-N 3.37Å; H414-E417 PolarHBondContact N-O 3.45Å; H414-E417 PolarHBondContact O-N 2.88Å; H414-A419 HydrophobicContact CB-CB 3.71Å
415	I	49.2	Very low	55.3	Low	119 Å²	119	76.2 Å²	76.2	61%	0.61	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	60.8	178.6	-49.8	173.9	0	0	0	111.7	E417	I415-E417 PolarHBondContact O-N 3.25Å
416	N	49.1	Very low	53.8	Low	149 Å²	149	77.3 Å²	77.3	80%	0.797	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-4.3	177.5	-59.9	-30.5	0	0	0	117.3	H414	H414-N416 PolarHBondContact O-N 3.37Å
417	E	46.6	Very low	52.4	Low	109 Å²	109	79.1 Å²	79.1	51%	0.509	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.2	174	-67.5	179.1	176.5	0	0	110.3	K413 H414 I415 A419	K413-E417 CarbonylContact C-O 3.49Å; K413-E417 WeakPolarHBondContact CA-O 3.48Å; K413-E417 WeakPolarHBondContact CB-O 3.47Å; H414-E417 PolarHBondContact N-O 3.45Å; H414-E417 PolarHBondContact O-N 2.88Å; I415-E417 PolarHBondContact O-N 3.25Å; E417-A419 PolarHBondContact O-N 2.9Å
418	P	49.4	Very low	51.2	Low	64 Å²	64	79.5 Å²	79.5	42%	0.416	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	120	173.8	25.8	-31.9	0	0	0	109.1	Q338 F420	Q338-P418 PolarHBondContact NE2-O 2.9Å; P418-F420 PolarHBondContact O-N 2.93Å
419	A	48.2	Very low	50.1	Low	16 Å²	16	75.8 Å²	75.8	13%	0.132	38%	0.378	C	S	.	.	S	Bend	trans	-69.1	-22	-176.7	0	0	0	0	0	112.7	I412 H414 E417	I412-A419 HydrophobicContact CG2-CB 4.01Å; I412-A419 WeakPolarHBondContact O-CB 3.38Å; I412-A419 PolarHBondContact O-N 3.41Å; H414-A419 HydrophobicContact CB-CB 3.71Å; E417-A419 PolarHBondContact O-N 2.9Å
420	F	51.2	Low	49.2	Very low	23 Å²	23	79 Å²	79	10%	0.101	40%	0.395	C	S	.	.			trans	-141	107.8	-178.7	-59.7	-71.8	0	0	0	107.9	I75 I335 I412 P418 F422	I75-F420 HydrophobicContact CG2-CE2 4.29Å; I75-F420 HydrophobicContact CG2-CZ 3.93Å; I335-F420 HydrophobicContact CD1-CD1 3.79Å; I335-F420 HydrophobicContact CD1-CE1 3.93Å; I335-F420 HydrophobicContact CG1-CD1 4.21Å; I335-F420 HydrophobicContact CG2-CD1 4.15Å; I335-F420 HydrophobicContact CG2-CE1 3.87Å; I412-F420 HydrophobicContact CB-CD2 4.13Å; I412-F420 HydrophobicContact CB-CE2 4.45Å; I412-F420 HydrophobicContact CD1-CD2 4.26Å; I412-F420 HydrophobicContact CD1-CE2 4.24Å; I412-F420 HydrophobicContact CG2-CD2 4.17Å; I412-F420 HydrophobicContact CG2-CE2 4.04Å; P418-F420 PolarHBondContact O-N 2.93Å; F420-F422 VanDerWaalsContact C-N 3.27Å; F420-F422 HydrophobicContact CB-CD2 3.54Å; F420-F422 HydrophobicContact CB-CE2 3.11Å; F420-F422 HydrophobicContact CB-CG 4.38Å; F420-F422 HydrophobicContact CB-CZ 3.69Å; F420-F422 HydrophobicContact CD2-CE2 4.03Å; F420-F422 HydrophobicContact CD2-CZ 4.27Å; F420-F422 AromaticContact CG-CE2 3.75Å; F420-F422 HydrophobicContact CG-CE2 3.75Å; F420-F422 AromaticContact CG-CZ 3.93Å; F420-F422 HydrophobicContact CG-CZ 3.93Å; F420-F422 WeakPolarHBondContact O-CD2 3.4Å; F420-F422 PolarHBondContact O-N 3.49Å; F420-F422 VanDerWaalsContact O-N 3.07Å
421	D	49.8	Very low	48.7	Very low	64 Å²	64	78.1 Å²	78.1	34%	0.342	40%	0.397	S	S	.	.			trans	-81.7	83.6	167.3	-157.1	4.1	0	0	0	108.1	T423 N431	D421-T423 HydrophobicContact CB-CG2 4.21Å; D421-T423 VanDerWaalsContact CG-CG2 3.44Å; D421-T423 PolarHBondContact O-N 2.95Å; D421-T423 PolarHBondContact O-OG1 3.02Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.28Å; D421-T423 WeakPolarHBondContact OD2-CG2 3.49Å; D421-N431 PolarHBondContact OD2-ND2 3.44Å
422	F	49.8	Very low	48.2	Very low	25 Å²	25	73.9 Å²	73.9	11%	0.11	37%	0.374	C	S	.	.			trans	-66.7	74	175.5	-70.5	-84.7	0	0	0	109.6	F140 T141 L409 Y410 F420 T424	F140-F422 HydrophobicContact CE1-CZ 4.29Å; F140-F422 HydrophobicContact CZ-CZ 4.22Å; F140-F422 WeakPolarHBondContact O-CE1 3.38Å; T141-F422 VanDerWaalsContact CB-CE1 3.49Å; T141-F422 VanDerWaalsContact OG1-CE1 3.28Å; T141-F422 WeakPolarHBondContact OG1-CE1 3.21Å; L409-F422 HydrophobicContact CB-CE2 4.46Å; L409-F422 HydrophobicContact CD1-CE1 4.28Å; L409-F422 HydrophobicContact CD1-CE2 3.96Å; L409-F422 HydrophobicContact CD1-CZ 3.57Å; L409-F422 HydrophobicContact CD2-CD1 4.19Å; L409-F422 HydrophobicContact CD2-CD2 4.48Å; L409-F422 HydrophobicContact CD2-CE1 3.8Å; L409-F422 HydrophobicContact CD2-CE2 4.15Å; L409-F422 HydrophobicContact CD2-CZ 3.82Å; L409-F422 HydrophobicContact CG-CD2 4.07Å; L409-F422 HydrophobicContact CG-CE1 3.96Å; L409-F422 HydrophobicContact CG-CE2 3.47Å; L409-F422 VanDerWaalsContact CG-CE2 3.47Å; L409-F422 HydrophobicContact CG-CZ 3.42Å; L409-F422 VanDerWaalsContact CG-CZ 3.42Å; L409-F422 VanDerWaalsContact O-CE2 3.26Å; L409-F422 WeakPolarHBondContact O-CE2 3.47Å; Y410-F422 HydrophobicContact CD1-CB 3.66Å; Y410-F422 HydrophobicContact CD1-CD2 4.2Å; Y410-F422 HydrophobicContact CD1-CG 4.31Å; Y410-F422 HydrophobicContact CE1-CB 3.44Å; Y410-F422 VanDerWaalsContact CE1-CB 3.44Å; Y410-F422 HydrophobicContact CE1-CG 4.26Å; F420-F422 VanDerWaalsContact C-N 3.27Å; F420-F422 HydrophobicContact CB-CD2 3.54Å; F420-F422 HydrophobicContact CB-CE2 3.11Å; F420-F422 HydrophobicContact CB-CG 4.38Å; F420-F422 HydrophobicContact CB-CZ 3.69Å; F420-F422 HydrophobicContact CD2-CE2 4.03Å; F420-F422 HydrophobicContact CD2-CZ 4.27Å; F420-F422 AromaticContact CG-CE2 3.75Å; F420-F422 HydrophobicContact CG-CE2 3.75Å; F420-F422 AromaticContact CG-CZ 3.93Å; F420-F422 HydrophobicContact CG-CZ 3.93Å; F420-F422 WeakPolarHBondContact O-CD2 3.4Å; F420-F422 PolarHBondContact O-N 3.49Å; F420-F422 VanDerWaalsContact O-N 3.07Å; F422-T424 PolarHBondContact O-N 3.12Å
423	T	49.8	Very low	47.8	Very low	11 Å²	11	73 Å²	73	7%	0.067	37%	0.37	C	S	.	.			trans	-84.5	116.3	-170.6	29.3	0	0	0	0	108.9	K144 D421 Q427 N431	K144-T423 WeakPolarHBondContact CE-O 3.44Å; K144-T423 VanDerWaalsContact CE-OG1 3.23Å; K144-T423 WeakPolarHBondContact CE-OG1 3.37Å; K144-T423 PolarHBondContact NZ-O 2.98Å; K144-T423 PolarHBondContact NZ-OG1 2.67Å; D421-T423 HydrophobicContact CB-CG2 4.21Å; D421-T423 VanDerWaalsContact CG-CG2 3.44Å; D421-T423 PolarHBondContact O-N 2.95Å; D421-T423 PolarHBondContact O-OG1 3.02Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.28Å; D421-T423 WeakPolarHBondContact OD2-CG2 3.49Å; T423-Q427 HydrophobicContact CG2-CB 3.55Å; T423-N431 WeakPolarHBondContact CG2-ND2 3.34Å
424	T	48.5	Very low	47.8	Very low	78 Å²	78	68 Å²	68	48%	0.479	35%	0.35	S	S	.	.			trans	-51.4	160.5	169.4	55.5	0	0	0	0	111	F422 L426 Q427 M428	F422-T424 PolarHBondContact O-N 3.12Å; T424-L426 PolarHBondContact O-N 3.41Å; T424-Q427 PolarHBondContact O-N 3.49Å; T424-Q427 PolarHBondContact OG1-OE1 3.5Å; T424-M428 PolarHBondContact O-N 3.35Å; T424-M428 VanDerWaalsContact O-N 3.12Å
425	K	43.7	Very low	47.9	Very low	166 Å²	166	65.6 Å²	65.6	72%	0.722	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-24.7	176.7	-84.7	-170.4	176.4	-172.3	0	114	M428	K425-M428 WeakPolarHBondContact O-CB 3.42Å
426	L	43.1	Very low	47.9	Very low	141 Å²	141	64.8 Å²	64.8	74%	0.738	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-47.6	176.8	-132.2	82.7	0	0	0	112	T424 M428 H429	T424-L426 PolarHBondContact O-N 3.41Å; L426-M428 PolarHBondContact O-N 3.23Å; L426-H429 PolarHBondContact O-N 3.03Å; L426-H429 VanDerWaalsContact O-N 3.11Å
427	Q	47.4	Very low	47.8	Very low	86 Å²	86	65.3 Å²	65.3	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-14.2	-180	-67.2	169.6	-44.2	0	0	113.4	T423 T424 H429 N431	T423-Q427 HydrophobicContact CG2-CB 3.55Å; T424-Q427 PolarHBondContact O-N 3.49Å; T424-Q427 PolarHBondContact OG1-OE1 3.5Å; Q427-H429 VanDerWaalsContact C-N 3.26Å; Q427-H429 PolarHBondContact O-N 2.98Å; Q427-N431 PolarHBondContact O-N 3.49Å
428	M	43.9	Very low	47.9	Very low	30 Å²	30	63.8 Å²	63.8	15%	0.148	33%	0.325	C	S	.	.	H	α-helix	trans	-49.2	-49.3	164.1	-104.1	-58.6	-163.7	0	0	111.3	K144 L380 T424 K425 L426 L432	K144-M428 HydrophobicContact CB-CE 3.66Å; K144-M428 HydrophobicContact CB-SD 4.17Å; K144-M428 HydrophobicContact CD-CE 3.39Å; K144-M428 HydrophobicContact CD-CG 4.27Å; K144-M428 HydrophobicContact CD-SD 3.25Å; K144-M428 WeakPolarHBondContact CD-SD 3.42Å; K144-M428 WeakPolarHBondContact CE-SD 3.05Å; K144-M428 HydrophobicContact CG-CE 3.26Å; K144-M428 HydrophobicContact CG-SD 3.84Å; K144-M428 PolarHBondContact NZ-SD 2.99Å; L380-M428 HydrophobicContact CD2-CE 3.24Å; T424-M428 PolarHBondContact O-N 3.35Å; T424-M428 VanDerWaalsContact O-N 3.12Å; K425-M428 WeakPolarHBondContact O-CB 3.42Å; L426-M428 PolarHBondContact O-N 3.23Å; M428-L432 PolarHBondContact O-N 3.14Å; M428-L432 HydrophobicContact SD-CD1 3.57Å; M428-L432 VanDerWaalsContact SD-CD1 3.57Å
429	H	42.7	Very low	47.8	Very low	63 Å²	63	65.2 Å²	65.2	29%	0.292	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-46.2	-172.5	-88.7	-32.2	0	0	0	110.7	Q376 L426 Q427 N431 C433	Q376-H429 PolarHBondContact NE2-NE2 3Å; Q376-H429 VanDerWaalsContact NE2-NE2 3.12Å; L426-H429 PolarHBondContact O-N 3.03Å; L426-H429 VanDerWaalsContact O-N 3.11Å; Q427-H429 VanDerWaalsContact C-N 3.26Å; Q427-H429 PolarHBondContact O-N 2.98Å; H429-N431 VanDerWaalsContact C-N 3.29Å; H429-N431 PolarHBondContact O-N 2.66Å; H429-C433 WeakPolarHBondContact O-CA 3.29Å; H429-C433 WeakPolarHBondContact O-CB 3.42Å; H429-C433 PolarHBondContact O-N 2.9Å
430	D	45.4	Very low	47.7	Very low	81 Å²	81	71.1 Å²	71.1	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-31.6	-176	-56.6	-26.9	0	0	0	112.9
431	N	47.9	Very low	47.6	Very low	81 Å²	81	73.1 Å²	73.1	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	-87.9	-33.7	-175.4	-75.3	1.6	0	0	0	113.8	D421 T423 Q427 H429	D421-N431 PolarHBondContact OD2-ND2 3.44Å; T423-N431 WeakPolarHBondContact CG2-ND2 3.34Å; Q427-N431 PolarHBondContact O-N 3.49Å; H429-N431 VanDerWaalsContact C-N 3.29Å; H429-N431 PolarHBondContact O-N 2.66Å
432	L	48.2	Very low	47.5	Very low	28 Å²	28	80.2 Å²	80.2	15%	0.147	40%	0.399	C	S	.	.	H	α-helix	trans	-101.1	-27.1	-177.7	-82.9	123.7	0	0	0	114.1	K144 P145 V146 L355 M428	K144-L432 HydrophobicContact CB-CD1 4.45Å; K144-L432 HydrophobicContact CD-CD1 4.37Å; P145-L432 WeakPolarHBondContact O-CD2 3.36Å; V146-L432 HydrophobicContact CB-CD2 4.5Å; V146-L432 HydrophobicContact CG1-CD2 3.65Å; V146-L432 HydrophobicContact CG1-CG 4.37Å; L355-L432 PolarHBondContact N-O 2.91Å; M428-L432 PolarHBondContact O-N 3.14Å; M428-L432 HydrophobicContact SD-CD1 3.57Å; M428-L432 VanDerWaalsContact SD-CD1 3.57Å
433	C	49.1	Very low	47.6	Very low	3 Å²	3	81.1 Å²	81.1	2%	0.02	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-104.9	147.9	-177.7	-59.5	0	0	0	0	111.1	C357 H429 T435	C357-C433 HydrophobicContact CB-CB 3.45Å; C357-C433 VanDerWaalsContact CB-CB 3.45Å; C357-C433 WeakPolarHBondContact CB-SG 3.49Å; C357-C433 WeakPolarHBondContact SG-CB 3.33Å; C357-C433 CovalentContact SG-SG 2.02Å; C357-C433 PolarHBondContact SG-SG 2.83Å; H429-C433 WeakPolarHBondContact O-CA 3.29Å; H429-C433 WeakPolarHBondContact O-CB 3.42Å; H429-C433 PolarHBondContact O-N 2.9Å; C433-T435 PolarHBondContact O-N 3.13Å
434	V	52.8	Low	47.7	Very low	19 Å²	19	84.9 Å²	84.9	12%	0.115	43%	0.429	C	S	.	.			trans	-80.3	103.1	165.6	-177.8	0	0	0	0	107.8	K354 L355	K354-V434 HydrophobicContact CB-CG2 3.91Å; K354-V434 HydrophobicContact CD-CG2 4.03Å; L355-V434 PolarHBondContact O-N 3.19Å
435	T	49.3	Very low	48.1	Very low	21 Å²	21	86.8 Å²	86.8	13%	0.129	44%	0.435	C	S	.	.			trans	-75.7	155.5	176.2	60.8	0	0	0	0	110.5	C433 E437 D438	C433-T435 PolarHBondContact O-N 3.13Å; T435-E437 PolarHBondContact O-N 2.96Å; T435-D438 PolarHBondContact O-N 2.9Å
436	K	50.9	Low	48.7	Very low	103 Å²	103	86 Å²	86	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-58.9	-28.2	175.7	-75.2	177.9	-179.4	167.8	0	111.9	K439 D440	K436-K439 VanDerWaalsContact O-CB 3.31Å; K436-K439 WeakPolarHBondContact O-CB 3.44Å; K436-K439 PolarHBondContact O-N 3.19Å; K436-K439 VanDerWaalsContact O-N 3.16Å; K436-D440 PolarHBondContact O-N 2.65Å
437	E	45.7	Very low	49.5	Very low	160 Å²	160	85.8 Å²	85.8	75%	0.748	43%	0.426	S	S	*	.	H	α-helix	trans	-69.8	-32.7	-179.5	-62.9	-171.7	166.9	0	0	113.4	T435 K439 D440 S441	T435-E437 PolarHBondContact O-N 2.96Å; E437-K439 PolarHBondContact O-N 3.26Å; E437-D440 PolarHBondContact O-N 2.98Å; E437-S441 PolarHBondContact O-N 2.58Å
438	D	48	Very low	50.2	Low	77 Å²	77	89.5 Å²	89.5	41%	0.412	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-32	171.9	-89.6	-13	0	0	0	111.2	K354 T435 D440 S441	K354-D438 IonicContact NZ-OD2 2.89Å; T435-D438 PolarHBondContact O-N 2.9Å; D438-D440 VanDerWaalsContact C-N 3.33Å; D438-D440 PolarHBondContact O-N 2.86Å; D438-S441 PolarHBondContact O-OG 3.1Å
439	K	48.1	Very low	51.1	Low	93 Å²	93	89 Å²	89	40%	0.404	44%	0.439	S	S	.	.	H	α-helix	trans	-71.2	-26.1	178.7	-59	179.6	178.8	171.3	0	113	T275 K436 E437	T275-K439 HydrophobicContact CG2-CG 4.43Å; K436-K439 VanDerWaalsContact O-CB 3.31Å; K436-K439 WeakPolarHBondContact O-CB 3.44Å; K436-K439 PolarHBondContact O-N 3.19Å; K436-K439 VanDerWaalsContact O-N 3.16Å; E437-K439 PolarHBondContact O-N 3.26Å
440	D	47.1	Very low	52.3	Low	140 Å²	140	91.3 Å²	91.3	75%	0.749	45%	0.451	S	S	*	.	H	α-helix	trans	-103.4	0.2	-173.4	-71.9	-22	0	0	0	114.1	K436 E437 D438	K436-D440 PolarHBondContact O-N 2.65Å; E437-D440 PolarHBondContact O-N 2.98Å; D438-D440 VanDerWaalsContact C-N 3.33Å; D438-D440 PolarHBondContact O-N 2.86Å
441	S	48.6	Very low	53.6	Low	66 Å²	66	91.5 Å²	91.5	46%	0.462	45%	0.452	S	S	.	.	S	Bend	trans	-60.9	139.7	177.4	68.8	0	0	0	0	111.4	E437 D438 I443	E437-S441 PolarHBondContact O-N 2.58Å; D438-S441 PolarHBondContact O-OG 3.1Å; S441-I443 VanDerWaalsContact C-N 3.34Å; S441-I443 VanDerWaalsContact O-CG1 3.3Å; S441-I443 WeakPolarHBondContact O-CG1 3.35Å; S441-I443 PolarHBondContact O-N 3.39Å
442	K	46.8	Very low	54.9	Low	213 Å²	213	87.7 Å²	87.7	93%	0.926	43%	0.432	S	S	*	.			trans	-63.9	88.4	-179.2	-75.2	178.6	179.9	174.3	0	110.7
443	I	51.7	Low	56.4	Low	44 Å²	44	88.9 Å²	88.9	23%	0.226	44%	0.441	C	S	.	.			trans	-78.7	127.8	-176	-67	149.1	0	0	0	110.1	Y274 S441	Y274-I443 HydrophobicContact CD1-CD1 3.99Å; Y274-I443 HydrophobicContact CD1-CG1 4.43Å; Y274-I443 HydrophobicContact CD1-CG2 4.02Å; Y274-I443 HydrophobicContact CD2-CG2 4.14Å; Y274-I443 HydrophobicContact CE1-CG2 3.54Å; Y274-I443 HydrophobicContact CE2-CG2 3.7Å; Y274-I443 HydrophobicContact CG-CD1 4.08Å; Y274-I443 HydrophobicContact CG-CG2 4.28Å; S441-I443 VanDerWaalsContact C-N 3.34Å; S441-I443 VanDerWaalsContact O-CG1 3.3Å; S441-I443 WeakPolarHBondContact O-CG1 3.35Å; S441-I443 PolarHBondContact O-N 3.39Å
444	P	53.6	Low	58	Low	89 Å²	89	93 Å²	93	58%	0.578	46%	0.462	S	S	*	.			trans	-70.8	137.2	173.6	28.5	-33.3	0	0	0	110.8	R446	P444-R446 PolarHBondContact O-N 3.49Å
445	I	56.9	Low	59.4	Low	118 Å²	118	96.5 Å²	96.5	61%	0.605	48%	0.48	S	S	*	.			trans	-59.9	111.7	171.9	-58.8	169.8	0	0	0	108.1
446	R	55.7	Low	61	Low	150 Å²	150	99.6 Å²	99.6	57%	0.566	49%	0.492	S	S	*	.			trans	-86	140.3	-179.5	-68.8	-172.5	-177.9	163.9	-2.3	110.4	Y274 P444 K448 Q449	Y274-R446 WeakPolarHBondContact OH-CD 3.28Å; Y274-R446 WeakPolarHBondContact OH-CG 2.96Å; Y274-R446 PolarHBondContact OH-NE 3.24Å; Y274-R446 VanDerWaalsContact OH-NE 3.13Å; P444-R446 PolarHBondContact O-N 3.49Å; R446-K448 PolarHBondContact O-N 2.87Å; R446-Q449 PolarHBondContact O-N 2.97Å
447	L	59.8	Low	62.6	Low	136 Å²	136	101.1 Å²	101.1	71%	0.712	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-48.2	-29.1	178.7	-136.4	90	0	0	0	113.9	Q449 M450 N451	L447-Q449 PolarHBondContact O-N 3.06Å; L447-M450 WeakPolarHBondContact O-CA 3.38Å; L447-M450 PolarHBondContact O-N 3.28Å; L447-N451 PolarHBondContact O-N 3.26Å; L447-N451 PolarHBondContact O-OD1 2.95Å
448	K	61.7	Low	64.6	Low	164 Å²	164	97.9 Å²	97.9	71%	0.713	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-55.1	-32.9	177.2	-69.4	-172.1	178.2	-176.5	0	113.2	R446 M450 N451	R446-K448 PolarHBondContact O-N 2.87Å; K448-M450 VanDerWaalsContact C-N 3.32Å; K448-N451 WeakPolarHBondContact O-CB 3.38Å
449	Q	63	Low	66.5	Low	20 Å²	20	97.2 Å²	97.2	9%	0.093	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-77.9	-15.9	176	-67.7	171.9	-30.4	0	0	112.3	Y169 I270 R446 L447	Y169-Q449 WeakPolarHBondContact CE1-O 3.22Å; Y169-Q449 PolarHBondContact OH-O 3.29Å; I270-Q449 PolarHBondContact O-NE2 3.31Å; R446-Q449 PolarHBondContact O-N 2.97Å; L447-Q449 PolarHBondContact O-N 3.06Å
450	M	67.9	Low	68.3	Low	111 Å²	111	94.8 Å²	94.8	55%	0.547	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-9.7	175.4	-59.3	-174.7	98.8	0	0	112.8	L447 K448 G452 P453 L454	L447-M450 WeakPolarHBondContact O-CA 3.38Å; L447-M450 PolarHBondContact O-N 3.28Å; K448-M450 VanDerWaalsContact C-N 3.32Å; M450-G452 VanDerWaalsContact C-N 3.26Å; M450-G452 PolarHBondContact O-N 3.15Å; M450-P453 WeakPolarHBondContact O-CD 3.19Å; M450-L454 VanDerWaalsContact O-CB 3.26Å; M450-L454 WeakPolarHBondContact O-CB 3.33Å; M450-L454 PolarHBondContact O-N 2.85Å; M450-L454 VanDerWaalsContact O-N 3.08Å
451	N	72.6	Confident	70.2	Confident	86 Å²	86	90 Å²	90	46%	0.46	47%	0.469	S	S	.	.	H	α-helix	trans	-58.3	-37.9	-178.9	-73.1	-4	0	0	0	112.6	L447 K448 L455	L447-N451 PolarHBondContact O-N 3.26Å; L447-N451 PolarHBondContact O-OD1 2.95Å; K448-N451 WeakPolarHBondContact O-CB 3.38Å; N451-L455 WeakPolarHBondContact O-CB 3.33Å; N451-L455 PolarHBondContact O-N 3.18Å
452	G	75.8	Confident	72.3	Confident	1 Å²	1	92 Å²	92	1%	0.01	48%	0.475	C	S	.	.	H	α-helix	trans	-59.7	-65.6	178.3	0	0	0	0	0	113.5	G167 M450 L454 L455 F456	G167-G452 WeakPolarHBondContact O-CA 3.25Å; M450-G452 VanDerWaalsContact C-N 3.26Å; M450-G452 PolarHBondContact O-N 3.15Å; G452-L454 PolarHBondContact O-N 2.86Å; G452-L455 WeakPolarHBondContact O-CB 3.35Å; G452-L455 PolarHBondContact O-N 3.02Å; G452-L455 VanDerWaalsContact O-N 3.1Å; G452-F456 WeakPolarHBondContact O-CD2 3.44Å; G452-F456 PolarHBondContact O-N 2.92Å
453	P	79.1	Confident	74.4	Confident	53 Å²	53	83.8 Å²	83.8	34%	0.344	44%	0.444	S	S	.	.	H	α-helix	trans	-54.1	-38.6	175.8	-28.4	35	0	0	0	113.5	Y169 F170 M450 F456 M457	Y169-P453 HydrophobicContact CE1-CG 4.37Å; F170-P453 HydrophobicContact CD1-CG 3.99Å; F170-P453 HydrophobicContact CG-CG 4.3Å; M450-P453 WeakPolarHBondContact O-CD 3.19Å; P453-F456 PolarHBondContact O-N 3.28Å; P453-M457 PolarHBondContact O-N 3.44Å
454	L	82.3	Confident	76.1	Confident	88 Å²	88	83.9 Å²	83.9	46%	0.461	45%	0.451	S	S	.	.	H	α-helix	trans	-65.5	-40.9	178.1	-171.6	144.8	0	0	0	112	M450 G452 M457 I458	M450-L454 VanDerWaalsContact O-CB 3.26Å; M450-L454 WeakPolarHBondContact O-CB 3.33Å; M450-L454 PolarHBondContact O-N 2.85Å; M450-L454 VanDerWaalsContact O-N 3.08Å; G452-L454 PolarHBondContact O-N 2.86Å; L454-M457 HydrophobicContact CG-CE 4.46Å; L454-M457 WeakPolarHBondContact O-CB 3.46Å; L454-M457 PolarHBondContact O-N 3.1Å; L454-I458 HydrophobicContact CD2-CD1 3.59Å; L454-I458 HydrophobicContact CD2-CG1 4.41Å; L454-I458 WeakPolarHBondContact O-CG1 3.18Å; L454-I458 PolarHBondContact O-N 3.2Å
455	L	83.1	Confident	77.9	Confident	94 Å²	94	83.9 Å²	83.9	49%	0.492	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-41.5	174.4	179.1	144.9	0	0	0	111.4	N451 G452 M457 I458 I459	N451-L455 WeakPolarHBondContact O-CB 3.33Å; N451-L455 PolarHBondContact O-N 3.18Å; G452-L455 WeakPolarHBondContact O-CB 3.35Å; G452-L455 PolarHBondContact O-N 3.02Å; G452-L455 VanDerWaalsContact O-N 3.1Å; L455-M457 VanDerWaalsContact C-N 3.34Å; L455-M457 PolarHBondContact O-N 3.12Å; L455-I458 PolarHBondContact O-N 3.49Å; L455-I459 HydrophobicContact CD2-CD1 3.45Å; L455-I459 VanDerWaalsContact CD2-CD1 3.45Å; L455-I459 HydrophobicContact CD2-CG1 4.4Å; L455-I459 HydrophobicContact CG-CD1 4.16Å; L455-I459 WeakPolarHBondContact O-CG1 3.32Å; L455-I459 PolarHBondContact O-N 2.8Å
456	F	82.1	Confident	79.5	Confident	86 Å²	86	84 Å²	84	38%	0.377	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-36.6	174.4	-89.3	-97.3	0	0	0	113	M168 F170 L171 G452 P453 I459 G460	M168-F456 HydrophobicContact CE-CZ 4.08Å; M168-F456 HydrophobicContact SD-CE2 3.41Å; M168-F456 WeakPolarHBondContact SD-CE2 3.37Å; M168-F456 HydrophobicContact SD-CZ 3.52Å; M168-F456 VanDerWaalsContact SD-CZ 3.52Å; F170-F456 AromaticContact CE1-CD2 3.68Å; F170-F456 HydrophobicContact CE1-CD2 3.68Å; F170-F456 AromaticContact CE1-CE2 3.79Å; F170-F456 HydrophobicContact CE1-CE2 3.79Å; F170-F456 HydrophobicContact CE1-CG 4.47Å; F170-F456 HydrophobicContact CZ-CD1 4.31Å; F170-F456 AromaticContact CZ-CD2 3.42Å; F170-F456 HydrophobicContact CZ-CD2 3.42Å; F170-F456 VanDerWaalsContact CZ-CD2 3.42Å; F170-F456 HydrophobicContact CZ-CE1 4.38Å; F170-F456 AromaticContact CZ-CE2 3.5Å; F170-F456 HydrophobicContact CZ-CE2 3.5Å; F170-F456 AromaticContact CZ-CG 3.84Å; F170-F456 HydrophobicContact CZ-CG 3.84Å; F170-F456 AromaticContact CZ-CZ 4Å; F170-F456 HydrophobicContact CZ-CZ 4Å; L171-F456 HydrophobicContact CD1-CZ 4.39Å; G452-F456 WeakPolarHBondContact O-CD2 3.44Å; G452-F456 PolarHBondContact O-N 2.92Å; P453-F456 PolarHBondContact O-N 3.28Å; F456-I459 PolarHBondContact O-N 3.36Å; F456-G460 PolarHBondContact O-N 3.32Å
457	M	84.8	Confident	81	Confident	135 Å²	135	82.8 Å²	82.8	67%	0.665	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-42.4	174.6	-174.5	-179	67.6	0	0	111.6	P453 L454 L455 G460 G461	P453-M457 PolarHBondContact O-N 3.44Å; L454-M457 HydrophobicContact CG-CE 4.46Å; L454-M457 WeakPolarHBondContact O-CB 3.46Å; L454-M457 PolarHBondContact O-N 3.1Å; L455-M457 VanDerWaalsContact C-N 3.34Å; L455-M457 PolarHBondContact O-N 3.12Å; M457-G460 PolarHBondContact O-N 3.19Å; M457-G461 PolarHBondContact O-N 2.93Å
458	I	87.5	Confident	82.3	Confident	92 Å²	92	82.3 Å²	82.3	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-64.5	-47.9	176.3	-66.7	169.3	0	0	0	110.6	L454 L455 G460 G461 L462	L454-I458 HydrophobicContact CD2-CD1 3.59Å; L454-I458 HydrophobicContact CD2-CG1 4.41Å; L454-I458 WeakPolarHBondContact O-CG1 3.18Å; L454-I458 PolarHBondContact O-N 3.2Å; L455-I458 PolarHBondContact O-N 3.49Å; I458-G460 VanDerWaalsContact C-N 3.35Å; I458-G460 PolarHBondContact O-N 3.09Å; I458-G461 PolarHBondContact O-N 3.12Å; I458-L462 HydrophobicContact CG2-CD1 4.07Å; I458-L462 HydrophobicContact CG2-CG 4.49Å; I458-L462 WeakPolarHBondContact O-CG 3.37Å; I458-L462 PolarHBondContact O-N 2.82Å
459	I	87.6	Confident	83.6	Confident	63 Å²	63	79.4 Å²	79.4	32%	0.323	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-46	178.1	-68	173.2	0	0	0	110.5	L455 F456 G461 L462 C463	L455-I459 HydrophobicContact CD2-CD1 3.45Å; L455-I459 VanDerWaalsContact CD2-CD1 3.45Å; L455-I459 HydrophobicContact CD2-CG1 4.4Å; L455-I459 HydrophobicContact CG-CD1 4.16Å; L455-I459 WeakPolarHBondContact O-CG1 3.32Å; L455-I459 PolarHBondContact O-N 2.8Å; F456-I459 PolarHBondContact O-N 3.36Å; I459-G461 VanDerWaalsContact C-N 3.34Å; I459-G461 PolarHBondContact O-N 3.18Å; I459-L462 PolarHBondContact O-N 3.46Å; I459-C463 WeakPolarHBondContact O-CB 3.04Å; I459-C463 PolarHBondContact O-N 3.27Å; I459-C463 PolarHBondContact O-SG 3.36Å; I459-C463 VanDerWaalsContact O-SG 3.35Å
460	G	85.7	Confident	84.7	Confident	42 Å²	42	81.8 Å²	81.8	43%	0.433	45%	0.453	S	S	.	.	H	α-helix	trans	-59.4	-42.7	176.8	0	0	0	0	0	112.8	F456 M457 I458 C463 A464	F456-G460 PolarHBondContact O-N 3.32Å; M457-G460 PolarHBondContact O-N 3.19Å; I458-G460 VanDerWaalsContact C-N 3.35Å; I458-G460 PolarHBondContact O-N 3.09Å; G460-C463 PolarHBondContact O-N 3.47Å; G460-A464 PolarHBondContact O-N 3Å
461	G	88.8	Confident	85.7	Confident	38 Å²	38	82.4 Å²	82.4	39%	0.392	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-44.8	174.8	0	0	0	0	0	112.9	M457 I458 I459 A464 V465	M457-G461 PolarHBondContact O-N 2.93Å; I458-G461 PolarHBondContact O-N 3.12Å; I459-G461 VanDerWaalsContact C-N 3.34Å; I459-G461 PolarHBondContact O-N 3.18Å; G461-A464 PolarHBondContact O-N 3.48Å; G461-V465 WeakPolarHBondContact O-CG2 3.27Å; G461-V465 PolarHBondContact O-N 3.22Å; G461-V465 VanDerWaalsContact O-N 3.09Å
462	L	91.5	Very high	86.4	Confident	109 Å²	109	85.2 Å²	85.2	57%	0.571	46%	0.46	S	S	*	.	H	α-helix	trans	-63.7	-41.8	176.3	-71.2	173.2	0	0	0	112	I458 I459 A464 V465 M466	I458-L462 HydrophobicContact CG2-CD1 4.07Å; I458-L462 HydrophobicContact CG2-CG 4.49Å; I458-L462 WeakPolarHBondContact O-CG 3.37Å; I458-L462 PolarHBondContact O-N 2.82Å; I459-L462 PolarHBondContact O-N 3.46Å; L462-A464 VanDerWaalsContact C-N 3.35Å; L462-A464 PolarHBondContact O-N 3.05Å; L462-V465 PolarHBondContact O-N 3.02Å; L462-M466 WeakPolarHBondContact O-CG 3.42Å; L462-M466 PolarHBondContact O-N 3.43Å
463	C	90.4	Very high	86.9	Confident	41 Å²	41	89.9 Å²	89.9	28%	0.277	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-40.6	175.3	-73	0	0	0	0	112.2	I459 G460 M466 M467	I459-C463 WeakPolarHBondContact O-CB 3.04Å; I459-C463 PolarHBondContact O-N 3.27Å; I459-C463 PolarHBondContact O-SG 3.36Å; I459-C463 VanDerWaalsContact O-SG 3.35Å; G460-C463 PolarHBondContact O-N 3.47Å; C463-M466 PolarHBondContact O-N 3.47Å; C463-M467 WeakPolarHBondContact O-CG 3.34Å; C463-M467 PolarHBondContact O-N 2.95Å
464	A	89	Confident	87.3	Confident	45 Å²	45	94.3 Å²	94.3	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.4	0	0	0	0	0	112	G460 G461 L462 M466 M467 H468	G460-A464 PolarHBondContact O-N 3Å; G461-A464 PolarHBondContact O-N 3.48Å; L462-A464 VanDerWaalsContact C-N 3.35Å; L462-A464 PolarHBondContact O-N 3.05Å; A464-M466 VanDerWaalsContact C-N 3.35Å; A464-M466 PolarHBondContact O-N 3.48Å; A464-M467 PolarHBondContact O-N 3.33Å; A464-H468 PolarHBondContact O-CD2 2.86Å; A464-H468 VanDerWaalsContact O-CD2 3.26Å; A464-H468 PolarHBondContact O-N 3.36Å
465	V	90.1	Very high	87.4	Confident	89 Å²	89	97.2 Å²	97.2	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-59.8	-46.2	174.4	173.4	0	0	0	0	110.7	G461 L462 M467 H468 M469	G461-V465 WeakPolarHBondContact O-CG2 3.27Å; G461-V465 PolarHBondContact O-N 3.22Å; G461-V465 VanDerWaalsContact O-N 3.09Å; L462-V465 PolarHBondContact O-N 3.02Å; V465-M467 PolarHBondContact O-N 3.33Å; V465-H468 PolarHBondContact O-N 3.42Å; V465-M469 HydrophobicContact CG1-CG 4.44Å; V465-M469 VanDerWaalsContact O-CG 3.3Å; V465-M469 WeakPolarHBondContact O-CG 3.34Å; V465-M469 PolarHBondContact O-N 3.45Å
466	M	90.9	Very high	87.6	Confident	120 Å²	120	96.5 Å²	96.5	59%	0.591	50%	0.497	S	S	*	.	H	α-helix	trans	-61.8	-41	177.7	-72.8	-66.3	-65.7	0	0	112.5	L462 C463 A464 M469 S470	L462-M466 WeakPolarHBondContact O-CG 3.42Å; L462-M466 PolarHBondContact O-N 3.43Å; C463-M466 PolarHBondContact O-N 3.47Å; A464-M466 VanDerWaalsContact C-N 3.35Å; A464-M466 PolarHBondContact O-N 3.48Å; M466-M469 PolarHBondContact O-N 3.42Å; M466-S470 WeakPolarHBondContact O-CB 3.31Å; M466-S470 PolarHBondContact O-N 3.39Å
467	M	87.5	Confident	87.7	Confident	125 Å²	125	97 Å²	97	62%	0.616	51%	0.506	S	S	*	.	H	α-helix	trans	-62.5	-47.6	175.9	-77.8	-173.3	177.1	0	0	111.6	C463 A464 V465 M469 S470 E471	C463-M467 WeakPolarHBondContact O-CG 3.34Å; C463-M467 PolarHBondContact O-N 2.95Å; A464-M467 PolarHBondContact O-N 3.33Å; V465-M467 PolarHBondContact O-N 3.33Å; M467-M469 VanDerWaalsContact C-N 3.33Å; M467-M469 PolarHBondContact O-N 3.05Å; M467-S470 PolarHBondContact O-N 2.87Å; M467-S470 VanDerWaalsContact O-N 3.12Å; M467-S470 PolarHBondContact O-OG 3.46Å; M467-E471 PolarHBondContact O-N 3.35Å
468	H	86.3	Confident	87.5	Confident	126 Å²	126	96.4 Å²	96.4	58%	0.583	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-38.9	176.9	-78.4	-57.8	0	0	0	112.9	A464 V465 S470 E471 Y472	A464-H468 PolarHBondContact O-CD2 2.86Å; A464-H468 VanDerWaalsContact O-CD2 3.26Å; A464-H468 PolarHBondContact O-N 3.36Å; V465-H468 PolarHBondContact O-N 3.42Å; H468-S470 VanDerWaalsContact C-N 3.32Å; H468-S470 PolarHBondContact O-N 3.1Å; H468-E471 IonicContact ND1-OE2 3.87Å; H468-E471 PolarHBondContact O-N 2.84Å; H468-Y472 VanDerWaalsContact O-CB 3.28Å; H468-Y472 WeakPolarHBondContact O-CB 3.01Å; H468-Y472 PolarHBondContact O-N 3.05Å
469	M	88.8	Confident	86.7	Confident	104 Å²	104	97.4 Å²	97.4	51%	0.512	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-40.5	173.9	-70.6	-59.6	-66.3	0	0	111.5	V465 M466 M467 Y472 I473	V465-M469 HydrophobicContact CG1-CG 4.44Å; V465-M469 VanDerWaalsContact O-CG 3.3Å; V465-M469 WeakPolarHBondContact O-CG 3.34Å; V465-M469 PolarHBondContact O-N 3.45Å; M466-M469 PolarHBondContact O-N 3.42Å; M467-M469 VanDerWaalsContact C-N 3.33Å; M467-M469 PolarHBondContact O-N 3.05Å; M469-Y472 PolarHBondContact O-N 2.73Å; M469-I473 WeakPolarHBondContact O-CD1 3.36Å; M469-I473 WeakPolarHBondContact O-CG1 3.29Å; M469-I473 PolarHBondContact O-N 3.47Å
470	S	88	Confident	85.1	Confident	69 Å²	69	107.4 Å²	107.4	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-66.8	-39.9	177.1	74.1	0	0	0	0	112.9	M466 M467 H468 I473 Y474	M466-S470 WeakPolarHBondContact O-CB 3.31Å; M466-S470 PolarHBondContact O-N 3.39Å; M467-S470 PolarHBondContact O-N 2.87Å; M467-S470 VanDerWaalsContact O-N 3.12Å; M467-S470 PolarHBondContact O-OG 3.46Å; H468-S470 VanDerWaalsContact C-N 3.32Å; H468-S470 PolarHBondContact O-N 3.1Å; S470-I473 PolarHBondContact O-N 2.97Å; S470-Y474 WeakPolarHBondContact O-CB 3.18Å; S470-Y474 PolarHBondContact O-N 3.4Å
471	E	87.7	Confident	85.1	Confident	124 Å²	124	110.7 Å²	110.7	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-64.5	-43.6	175.1	-175.5	-178.7	-169.3	0	0	111	M467 H468 Y474 Y475	M467-E471 PolarHBondContact O-N 3.35Å; H468-E471 IonicContact ND1-OE2 3.87Å; H468-E471 PolarHBondContact O-N 2.84Å; E471-Y474 WeakPolarHBondContact O-CB 3.34Å; E471-Y474 PolarHBondContact O-N 3.36Å; E471-Y475 WeakPolarHBondContact O-CB 3.49Å; E471-Y475 PolarHBondContact O-N 2.87Å
472	Y	86.5	Confident	84.9	Confident	146 Å²	146	114.5 Å²	114.5	57%	0.573	56%	0.557	S	S	*	*	H	α-helix	trans	-61.6	-45.1	176.4	-178.6	-106.9	0	0	0	112.2	H468 M469 Y474 Y475 I476	H468-Y472 VanDerWaalsContact O-CB 3.28Å; H468-Y472 WeakPolarHBondContact O-CB 3.01Å; H468-Y472 PolarHBondContact O-N 3.05Å; M469-Y472 PolarHBondContact O-N 2.73Å; Y472-Y474 VanDerWaalsContact C-N 3.34Å; Y472-Y474 PolarHBondContact O-N 3.08Å; Y472-Y475 PolarHBondContact O-N 3.39Å; Y472-I476 HydrophobicContact CD1-CD1 3.71Å; Y472-I476 HydrophobicContact CE1-CD1 3.24Å; Y472-I476 HydrophobicContact CE1-CG1 4.38Å; Y472-I476 HydrophobicContact CE2-CD1 4.18Å; Y472-I476 HydrophobicContact CG-CD1 4.36Å; Y472-I476 WeakPolarHBondContact O-CG1 3.31Å; Y472-I476 PolarHBondContact O-N 3.42Å
473	I	88	Confident	84.5	Confident	99 Å²	99	114.8 Å²	114.8	51%	0.508	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-44.6	175	-68.6	163.9	0	0	0	110.4	M469 S470 Y475 I476 V477	M469-I473 WeakPolarHBondContact O-CD1 3.36Å; M469-I473 WeakPolarHBondContact O-CG1 3.29Å; M469-I473 PolarHBondContact O-N 3.47Å; S470-I473 PolarHBondContact O-N 2.97Å; I473-Y475 PolarHBondContact O-N 3.03Å; I473-I476 PolarHBondContact O-N 2.88Å; I473-V477 WeakPolarHBondContact O-CG2 3.33Å; I473-V477 PolarHBondContact O-N 3.42Å
474	Y	85.9	Confident	84.1	Confident	145 Å²	145	119.2 Å²	119.2	57%	0.569	57%	0.573	S	S	*	*	H	α-helix	trans	-59.8	-45.1	177.7	179.3	-98	0	0	0	111.9	S470 E471 Y472 I476 V477 M478	S470-Y474 WeakPolarHBondContact O-CB 3.18Å; S470-Y474 PolarHBondContact O-N 3.4Å; E471-Y474 WeakPolarHBondContact O-CB 3.34Å; E471-Y474 PolarHBondContact O-N 3.36Å; Y472-Y474 VanDerWaalsContact C-N 3.34Å; Y472-Y474 PolarHBondContact O-N 3.08Å; Y474-I476 PolarHBondContact O-N 3.07Å; Y474-V477 PolarHBondContact O-N 2.87Å; Y474-M478 HydrophobicContact CE1-CG 4Å; Y474-M478 HydrophobicContact CE2-CG 4.33Å; Y474-M478 PolarHBondContact O-N 3.26Å; Y474-M478 VanDerWaalsContact OH-CE 3.31Å; Y474-M478 WeakPolarHBondContact OH-CE 3.33Å
475	Y	86.4	Confident	83.8	Confident	149 Å²	149	123.8 Å²	123.8	58%	0.584	59%	0.586	S	S	*	*	H	α-helix	trans	-63.4	-40.6	178.4	-170.2	-101.2	0	0	0	112.4	E471 Y472 I473 V477 M478 N479	E471-Y475 WeakPolarHBondContact O-CB 3.49Å; E471-Y475 PolarHBondContact O-N 2.87Å; Y472-Y475 PolarHBondContact O-N 3.39Å; I473-Y475 PolarHBondContact O-N 3.03Å; Y475-V477 VanDerWaalsContact C-N 3.33Å; Y475-V477 PolarHBondContact O-N 2.91Å; Y475-M478 PolarHBondContact O-N 2.82Å; Y475-N479 WeakPolarHBondContact CE1-ND2 3.3Å; Y475-N479 WeakPolarHBondContact O-CB 3.27Å; Y475-N479 PolarHBondContact O-N 2.64Å; Y475-N479 PolarHBondContact OH-ND2 3.49Å
476	I	86.1	Confident	83.4	Confident	80 Å²	80	126.1 Å²	126.1	41%	0.41	59%	0.589	S	S	.	*	H	α-helix	trans	-61.3	-42.3	174.3	-71.9	169.3	0	0	0	111.5	Y472 I473 Y474	Y472-I476 HydrophobicContact CD1-CD1 3.71Å; Y472-I476 HydrophobicContact CE1-CD1 3.24Å; Y472-I476 HydrophobicContact CE1-CG1 4.38Å; Y472-I476 HydrophobicContact CE2-CD1 4.18Å; Y472-I476 HydrophobicContact CG-CD1 4.36Å; Y472-I476 WeakPolarHBondContact O-CG1 3.31Å; Y472-I476 PolarHBondContact O-N 3.42Å; I473-I476 PolarHBondContact O-N 2.88Å; Y474-I476 PolarHBondContact O-N 3.07Å
477	V	85	Confident	82.9	Confident	96 Å²	96	126.6 Å²	126.6	58%	0.582	59%	0.588	S	S	*	*	H	α-helix	trans	-70.4	-36.9	-179	173.1	0	0	0	0	111.6	I473 Y474 Y475	I473-V477 WeakPolarHBondContact O-CG2 3.33Å; I473-V477 PolarHBondContact O-N 3.42Å; Y474-V477 PolarHBondContact O-N 2.87Å; Y475-V477 VanDerWaalsContact C-N 3.33Å; Y475-V477 PolarHBondContact O-N 2.91Å
478	M	79.6	Confident	82.5	Confident	122 Å²	122	126.7 Å²	126.7	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-74.9	-30	178.3	-95.4	-69.4	-158	0	0	113.9	Y474 Y475 R480	Y474-M478 HydrophobicContact CE1-CG 4Å; Y474-M478 HydrophobicContact CE2-CG 4.33Å; Y474-M478 PolarHBondContact O-N 3.26Å; Y474-M478 VanDerWaalsContact OH-CE 3.31Å; Y474-M478 WeakPolarHBondContact OH-CE 3.33Å; Y475-M478 PolarHBondContact O-N 2.82Å; M478-R480 PolarHBondContact O-N 3.44Å
479	N	71.7	Confident	82.2	Confident	113 Å²	113	126.8 Å²	126.8	60%	0.604	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	6.8	177.4	-89	-7.1	0	0	0	114.1	Y475	Y475-N479 WeakPolarHBondContact CE1-ND2 3.3Å; Y475-N479 WeakPolarHBondContact O-CB 3.27Å; Y475-N479 PolarHBondContact O-N 2.64Å; Y475-N479 PolarHBondContact OH-ND2 3.49Å
480	R	53.2	Low	81.6	Confident	274 Å²	274	128.8 Å²	128.8	100%	1.034	59%	0.593	S	S	*	*			trans	-114.9	0	177.6	-159.5	-179.2	-164.2	178.6	4.8	109.8	M478	M478-R480 PolarHBondContact O-N 3.44Å

Retrieved 480 of 480 residues in 98.5 ms (Link to these results)

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