A0A077YZL7_TRITR Loading...

Thiosulfate sulfurtransferase

AlphaFold DB , UniProt , Accession A0A077YZL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 642 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	42.6	Very low	50.3	Low	153 Å²	153	87.5 Å²	87.5	75%	0.754	50%	0.5	S	S	*	.				0	-50.4	0	-96.2	-160.3	-66.9	0	0	110.2	D3 V4 T5 L74	M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.45Å; M1-V4 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-N 3Å; M1-T5 PolarHBondContact O-OG1 3.15Å; M1-L74 HydrophobicContact CG-CD2 4.2Å
2	E	41	Very low	49.4	Very low	148 Å²	148	94.5 Å²	94.5	69%	0.692	52%	0.52	S	S	*	.	H	α-helix	trans	-47.4	-47.8	174.6	-75.1	176.1	157.3	0	0	113.2	V4 T5 L6	E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 3.47Å; E2-T5 WeakPolarHBondContact CA-OG1 3.34Å; E2-T5 PolarHBondContact O-N 3.18Å; E2-T5 PolarHBondContact O-OG1 3.3Å; E2-T5 VanDerWaalsContact O-OG1 3.12Å; E2-L6 VanDerWaalsContact O-CB 3.26Å; E2-L6 WeakPolarHBondContact O-CB 3.45Å; E2-L6 PolarHBondContact O-N 2.82Å
3	D	48.1	Very low	48.4	Very low	139 Å²	139	101.5 Å²	101.5	74%	0.743	53%	0.534	S	S	*	.	H	α-helix	trans	-64.8	-33.8	179	-71.1	-31.6	0	0	0	114.4	M1 S7	M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.45Å; D3-S7 WeakPolarHBondContact O-CB 3.46Å; D3-S7 PolarHBondContact O-N 2.8Å
4	V	57.1	Low	47.6	Very low	31 Å²	31	106.1 Å²	106.1	19%	0.188	56%	0.559	C	S	.	*	H	α-helix	trans	-75.9	-40.5	179.2	179.9	0	0	0	0	109.9	M1 E2 S7 L8 V75	M1-V4 PolarHBondContact O-N 3.18Å; E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 3.47Å; V4-S7 PolarHBondContact O-N 3.05Å; V4-S7 PolarHBondContact O-OG 3.42Å; V4-L8 HydrophobicContact CG1-CD1 4.36Å; V4-L8 WeakPolarHBondContact O-CG 3.38Å; V4-L8 PolarHBondContact O-N 3.04Å; V4-L8 VanDerWaalsContact O-N 3.14Å; V4-V75 HydrophobicContact CG1-CG2 4.36Å
5	T	54.8	Low	46.9	Very low	22 Å²	22	110.5 Å²	110.5	14%	0.135	58%	0.575	C	S	.	*	H	α-helix	trans	-73	-33.5	176.3	48.2	0	0	0	0	111.9	M1 E2 L8 A9 Y91	M1-T5 PolarHBondContact O-N 3Å; M1-T5 PolarHBondContact O-OG1 3.15Å; E2-T5 WeakPolarHBondContact CA-OG1 3.34Å; E2-T5 PolarHBondContact O-N 3.18Å; E2-T5 PolarHBondContact O-OG1 3.3Å; E2-T5 VanDerWaalsContact O-OG1 3.12Å; T5-L8 PolarHBondContact O-N 3.1Å; T5-A9 WeakPolarHBondContact O-CB 3.32Å; T5-A9 PolarHBondContact O-N 3.31Å; T5-Y91 WeakPolarHBondContact CB-OH 3.21Å; T5-Y91 VanDerWaalsContact CG2-OH 3.26Å; T5-Y91 WeakPolarHBondContact CG2-OH 3.39Å; T5-Y91 PolarHBondContact OG1-OH 2.66Å
6	L	55.9	Low	46.2	Very low	96 Å²	96	115.7 Å²	115.7	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-62.1	-49.8	167.8	-122.2	89.8	0	0	0	109.9	E2 L8 A9 T10	E2-L6 VanDerWaalsContact O-CB 3.26Å; E2-L6 WeakPolarHBondContact O-CB 3.45Å; E2-L6 PolarHBondContact O-N 2.82Å; L6-L8 PolarHBondContact O-N 3.43Å; L6-L8 VanDerWaalsContact O-N 3.11Å; L6-A9 CarbonylContact O-C 3.46Å; L6-A9 PolarHBondContact O-N 3.45Å; L6-T10 HydrophobicContact CB-CG2 4.25Å; L6-T10 HydrophobicContact CD2-CG2 3.88Å; L6-T10 HydrophobicContact CG-CG2 3.79Å; L6-T10 WeakPolarHBondContact O-CB 3.33Å; L6-T10 VanDerWaalsContact O-CG2 3.28Å; L6-T10 WeakPolarHBondContact O-CG2 3.39Å; L6-T10 PolarHBondContact O-N 2.88Å; L6-T10 PolarHBondContact O-OG1 2.66Å
7	S	55.9	Low	45.3	Very low	73 Å²	73	116.2 Å²	116.2	51%	0.51	61%	0.61	S	S	.	*	H	α-helix	trans	-59.7	-28.1	-179.6	79.7	0	0	0	0	113.6	D3 V4	D3-S7 WeakPolarHBondContact O-CB 3.46Å; D3-S7 PolarHBondContact O-N 2.8Å; V4-S7 PolarHBondContact O-N 3.05Å; V4-S7 PolarHBondContact O-OG 3.42Å
8	L	56.4	Low	44.6	Very low	62 Å²	62	118.7 Å²	118.7	33%	0.325	62%	0.624	S	S	.	*	H	α-helix	trans	-83.1	-23.1	174.7	-72.6	170.4	0	0	0	112.9	V4 T5 L6 A46 L50	V4-L8 HydrophobicContact CG1-CD1 4.36Å; V4-L8 WeakPolarHBondContact O-CG 3.38Å; V4-L8 PolarHBondContact O-N 3.04Å; V4-L8 VanDerWaalsContact O-N 3.14Å; T5-L8 PolarHBondContact O-N 3.1Å; L6-L8 PolarHBondContact O-N 3.43Å; L6-L8 VanDerWaalsContact O-N 3.11Å; L8-A46 HydrophobicContact CD2-CB 3.31Å; L8-L50 HydrophobicContact CD1-CD1 4.13Å; L8-L50 HydrophobicContact CD2-CD1 3.75Å; L8-L50 HydrophobicContact CG-CD1 4.06Å
9	A	53.9	Low	44.1	Very low	42 Å²	42	122.8 Å²	122.8	35%	0.347	64%	0.64	S	S	.	*	H	α-helix	trans	-108.1	-13.6	-173.5	0	0	0	0	0	114.9	T5 L6 S11	T5-A9 WeakPolarHBondContact O-CB 3.32Å; T5-A9 PolarHBondContact O-N 3.31Å; L6-A9 CarbonylContact O-C 3.46Å; L6-A9 PolarHBondContact O-N 3.45Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 3.13Å
10	T	46.1	Very low	43.5	Very low	88 Å²	88	120.3 Å²	120.3	54%	0.54	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.6	15.4	-175.4	49.7	0	0	0	0	114.5	L6	L6-T10 HydrophobicContact CB-CG2 4.25Å; L6-T10 HydrophobicContact CD2-CG2 3.88Å; L6-T10 HydrophobicContact CG-CG2 3.79Å; L6-T10 WeakPolarHBondContact O-CB 3.33Å; L6-T10 VanDerWaalsContact O-CG2 3.28Å; L6-T10 WeakPolarHBondContact O-CG2 3.39Å; L6-T10 PolarHBondContact O-N 2.88Å; L6-T10 PolarHBondContact O-OG1 2.66Å
11	S	41.4	Very low	43.1	Very low	109 Å²	109	120.3 Å²	120.3	76%	0.762	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-7.5	-179.7	-174	0	0	0	0	114.8	A9	A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 3.13Å
12	K	39.4	Very low	42.5	Very low	171 Å²	171	120.1 Å²	120.1	74%	0.743	66%	0.655	S	S	*	*	S	Bend	trans	-159.8	10.9	-171.2	-114	-179.8	-172.9	-173.4	0	119.8	D14	K12-D14 PolarHBondContact O-N 3.2Å
13	R	37.2	Very low	42.2	Very low	186 Å²	186	122.1 Å²	122.1	70%	0.702	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	0	-170.6	-105.6	-173	-80	-178.7	-3.2	117
14	D	36.3	Very low	41.3	Very low	165 Å²	165	120.6 Å²	120.6	88%	0.882	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	16.3	-173.1	-64.9	-26.5	0	0	0	115.6	K12	K12-D14 PolarHBondContact O-N 3.2Å
15	Q	37.8	Very low	40.2	Very low	172 Å²	172	125.3 Å²	125.3	80%	0.804	69%	0.685	S	S	*	*	S	Bend	trans	-127.1	-2.2	-171.1	-99.3	-177.3	-18.1	0	0	118.9
16	E	35.4	Very low	39.4	Very low	194 Å²	194	128.8 Å²	128.8	91%	0.907	72%	0.716	S	S	*	*			trans	-133.3	73.2	-179.1	-75.2	176.2	168	0	0	111.5
17	C	30.1	Very low	38.6	Very low	124 Å²	124	133.4 Å²	133.4	84%	0.838	73%	0.732	S	S	*	*			trans	-125.4	90.7	155.7	-79.3	0	0	0	0	107.3
18	D	32.8	Very low	37.8	Very low	161 Å²	161	135.2 Å²	135.2	86%	0.861	73%	0.731	S	S	*	*			trans	-172.4	147.8	151.5	-94.1	-27.7	0	0	0	109.1
19	E	34.8	Very low	37	Very low	197 Å²	197	140.9 Å²	140.9	92%	0.921	76%	0.756	S	S	*	*			trans	79.1	106.5	176.7	-48.6	-172.9	176.8	0	0	115.1
20	G	32.8	Very low	36.5	Very low	73 Å²	73	143.7 Å²	143.7	75%	0.753	77%	0.77	S	S	*	*			cis	84.2	68.5	29	0	0	0	0	0	111.5
21	S	34.4	Very low	36.1	Very low	121 Å²	121	146 Å²	146	85%	0.846	77%	0.774	S	S	*	*			trans	172	133.9	139.7	47.6	0	0	0	0	112.8
22	I	30.9	Very low	36.2	Very low	149 Å²	149	144.5 Å²	144.5	76%	0.764	76%	0.76	S	S	*	*			trans	-53.1	130.3	162.7	-65.4	155.1	0	0	0	108.7
23	F	33.7	Very low	36.5	Very low	190 Å²	190	142.7 Å²	142.7	83%	0.833	75%	0.753	S	S	*	*			trans	169.1	126.2	136.9	-99.9	-77.9	0	0	0	111.8
24	S	30.1	Very low	36.5	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	75%	0.748	S	S	*	*			trans	55.4	96.6	150.9	171.4	0	0	0	0	118.9
25	I	33.8	Very low	37.1	Very low	130 Å²	130	135.6 Å²	135.6	67%	0.667	73%	0.726	S	S	*	*			trans	-122.3	87.6	165.6	-60.8	178.4	0	0	0	110.3	F28	I25-F28 HydrophobicContact CD1-CD2 4.17Å; I25-F28 HydrophobicContact CD1-CE2 4.37Å; I25-F28 HydrophobicContact CG1-CD2 4.15Å; I25-F28 HydrophobicContact CG2-CB 3.51Å; I25-F28 HydrophobicContact CG2-CD2 3.73Å; I25-F28 HydrophobicContact CG2-CG 3.91Å
26	A	38.1	Very low	37.9	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	69%	0.694	S	S	*	*	S	Bend	trans	-111.2	13.1	158.5	0	0	0	0	0	111.9
27	F	39.2	Very low	38.9	Very low	193 Å²	193	123.1 Å²	123.1	85%	0.846	67%	0.673	S	S	*	*	S	Bend	trans	-127.3	7.8	-171	-102.9	-89.9	0	0	0	116
28	F	39	Very low	40.1	Very low	112 Å²	112	121 Å²	121	49%	0.491	65%	0.653	S	S	.	*			trans	-90.6	-2.6	-170.5	-109.2	-101	0	0	0	117.7	I25 F31 V32	I25-F28 HydrophobicContact CD1-CD2 4.17Å; I25-F28 HydrophobicContact CD1-CE2 4.37Å; I25-F28 HydrophobicContact CG1-CD2 4.15Å; I25-F28 HydrophobicContact CG2-CB 3.51Å; I25-F28 HydrophobicContact CG2-CD2 3.73Å; I25-F28 HydrophobicContact CG2-CG 3.91Å; F28-F31 HydrophobicContact CD1-CB 3.94Å; F28-F31 HydrophobicContact CE1-CB 4.11Å; F28-F31 HydrophobicContact CE1-CD1 4.44Å; F28-F31 HydrophobicContact CE1-CG 4.45Å; F28-F31 PolarHBondContact O-N 2.87Å; F28-V32 PolarHBondContact O-N 3.44Å
29	Q	39.7	Very low	41.9	Very low	181 Å²	181	116.3 Å²	116.3	85%	0.846	63%	0.627	S	S	*	*	H	α-helix	trans	-59.1	-34.7	-173.6	-87.7	-155.2	-47.9	0	0	116.5
30	P	43.7	Very low	43.7	Very low	100 Å²	100	111 Å²	111	65%	0.649	60%	0.602	S	S	*	*	H	α-helix	trans	-72.9	-28.9	177.8	8.6	-2.4	0	0	0	113.2	F34	P30-F34 PolarHBondContact O-N 2.91Å
31	F	38.4	Very low	45.9	Very low	138 Å²	138	109.6 Å²	109.6	61%	0.605	58%	0.581	S	S	*	*	H	α-helix	trans	-74.1	-38.1	-176.7	-130.3	-95.9	0	0	0	112	F28 H33 F34 V35	F28-F31 HydrophobicContact CD1-CB 3.94Å; F28-F31 HydrophobicContact CE1-CB 4.11Å; F28-F31 HydrophobicContact CE1-CD1 4.44Å; F28-F31 HydrophobicContact CE1-CG 4.45Å; F28-F31 PolarHBondContact O-N 2.87Å; F31-H33 VanDerWaalsContact C-N 3.33Å; F31-H33 PolarHBondContact O-N 3.35Å; F31-F34 PolarHBondContact O-N 3.49Å; F31-V35 HydrophobicContact CD1-CG2 4.48Å; F31-V35 WeakPolarHBondContact O-CG2 3.3Å; F31-V35 PolarHBondContact O-N 2.9Å; F31-V35 VanDerWaalsContact O-N 3.1Å
32	V	43	Very low	48.2	Very low	77 Å²	77	109.2 Å²	109.2	47%	0.467	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-39	178.2	-179.3	0	0	0	0	111.3	F28 V35 I36	F28-V32 PolarHBondContact O-N 3.44Å; V32-V35 PolarHBondContact O-N 3.22Å; V32-I36 HydrophobicContact CG1-CD1 3.82Å; V32-I36 HydrophobicContact CG1-CG1 4.47Å; V32-I36 VanDerWaalsContact O-CG1 3.24Å; V32-I36 WeakPolarHBondContact O-CG1 3.41Å; V32-I36 PolarHBondContact O-N 2.83Å
33	H	44.9	Very low	50.7	Low	133 Å²	133	103.5 Å²	103.5	62%	0.616	54%	0.536	S	S	*	.	H	α-helix	trans	-67.8	-39.8	178.8	-151.5	73.6	0	0	0	112	F31 I36 V37	F31-H33 VanDerWaalsContact C-N 3.33Å; F31-H33 PolarHBondContact O-N 3.35Å; H33-I36 PolarHBondContact O-N 3.48Å; H33-V37 VanDerWaalsContact O-CG2 3.27Å; H33-V37 WeakPolarHBondContact O-CG2 3.44Å; H33-V37 PolarHBondContact O-N 3.4Å
34	F	37.8	Very low	53.1	Low	134 Å²	134	98 Å²	98	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-64.4	-42.5	177.1	-169.9	-103.6	0	0	0	112.2	P30 F31 V37 L38	P30-F34 PolarHBondContact O-N 2.91Å; F31-F34 PolarHBondContact O-N 3.49Å; F34-V37 PolarHBondContact O-N 3.09Å; F34-L38 HydrophobicContact CD1-CD1 3.82Å; F34-L38 HydrophobicContact CD1-CG 4.45Å; F34-L38 HydrophobicContact CE1-CD1 3.49Å; F34-L38 VanDerWaalsContact CE1-CD1 3.49Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CZ-CD1 4.15Å; F34-L38 HydrophobicContact CZ-CG 4.49Å; F34-L38 WeakPolarHBondContact O-CG 3.33Å; F34-L38 PolarHBondContact O-N 3.39Å
35	V	47.8	Very low	55.8	Low	68 Å²	68	99.2 Å²	99.2	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-42.9	175.5	174.7	0	0	0	0	111.2	F31 V32 V37 L38 I39	F31-V35 HydrophobicContact CD1-CG2 4.48Å; F31-V35 WeakPolarHBondContact O-CG2 3.3Å; F31-V35 PolarHBondContact O-N 2.9Å; F31-V35 VanDerWaalsContact O-N 3.1Å; V32-V35 PolarHBondContact O-N 3.22Å; V35-V37 PolarHBondContact O-N 3.09Å; V35-L38 PolarHBondContact O-N 2.85Å; V35-I39 HydrophobicContact CG1-CD1 3.79Å; V35-I39 WeakPolarHBondContact O-CD1 3.32Å; V35-I39 WeakPolarHBondContact O-CG1 3.36Å; V35-I39 PolarHBondContact O-N 2.85Å; V35-I39 VanDerWaalsContact O-N 3.1Å
36	I	55.2	Low	58.3	Low	28 Å²	28	94 Å²	94	14%	0.144	48%	0.482	C	S	.	.	H	α-helix	trans	-63.1	-42.1	177.4	-69.1	169.1	0	0	0	111.9	V32 H33 I39 Q40	V32-I36 HydrophobicContact CG1-CD1 3.82Å; V32-I36 HydrophobicContact CG1-CG1 4.47Å; V32-I36 VanDerWaalsContact O-CG1 3.24Å; V32-I36 WeakPolarHBondContact O-CG1 3.41Å; V32-I36 PolarHBondContact O-N 2.83Å; H33-I36 PolarHBondContact O-N 3.48Å; I36-I39 PolarHBondContact O-N 3.44Å; I36-Q40 PolarHBondContact O-N 2.89Å
37	V	57.1	Low	60.7	Low	76 Å²	76	92.5 Å²	92.5	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-41.1	179.1	171.5	0	0	0	0	111.5	H33 F34 V35 I39 Q40 S41	H33-V37 VanDerWaalsContact O-CG2 3.27Å; H33-V37 WeakPolarHBondContact O-CG2 3.44Å; H33-V37 PolarHBondContact O-N 3.4Å; F34-V37 PolarHBondContact O-N 3.09Å; V35-V37 PolarHBondContact O-N 3.09Å; V37-I39 VanDerWaalsContact C-N 3.34Å; V37-I39 PolarHBondContact O-N 3.44Å; V37-Q40 PolarHBondContact O-N 3.45Å; V37-S41 PolarHBondContact O-N 2.99Å; V37-S41 VanDerWaalsContact O-N 3.15Å
38	L	55.9	Low	63	Low	80 Å²	80	90.7 Å²	90.7	42%	0.419	44%	0.444	S	S	.	.	H	α-helix	trans	-59.5	-46.3	174.9	-76.2	174.7	0	0	0	111.1	F34 V35 Q40 S41 E42	F34-L38 HydrophobicContact CD1-CD1 3.82Å; F34-L38 HydrophobicContact CD1-CG 4.45Å; F34-L38 HydrophobicContact CE1-CD1 3.49Å; F34-L38 VanDerWaalsContact CE1-CD1 3.49Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CZ-CD1 4.15Å; F34-L38 HydrophobicContact CZ-CG 4.49Å; F34-L38 WeakPolarHBondContact O-CG 3.33Å; F34-L38 PolarHBondContact O-N 3.39Å; V35-L38 PolarHBondContact O-N 2.85Å; L38-Q40 PolarHBondContact O-N 3.4Å; L38-S41 PolarHBondContact O-N 3.32Å; L38-S41 PolarHBondContact O-OG 3.05Å; L38-E42 PolarHBondContact O-N 2.69Å; L38-E42 VanDerWaalsContact O-N 3.16Å
39	I	69.2	Low	65.4	Low	62 Å²	62	92.2 Å²	92.2	32%	0.318	45%	0.452	S	S	.	.	H	α-helix	trans	-61.3	-43.1	179	-65.1	162.6	0	0	0	111.6	V35 I36 V37 S41 E42 I43 R88	V35-I39 HydrophobicContact CG1-CD1 3.79Å; V35-I39 WeakPolarHBondContact O-CD1 3.32Å; V35-I39 WeakPolarHBondContact O-CG1 3.36Å; V35-I39 PolarHBondContact O-N 2.85Å; V35-I39 VanDerWaalsContact O-N 3.1Å; I36-I39 PolarHBondContact O-N 3.44Å; V37-I39 VanDerWaalsContact C-N 3.34Å; V37-I39 PolarHBondContact O-N 3.44Å; I39-S41 VanDerWaalsContact C-N 3.33Å; I39-S41 PolarHBondContact O-N 3.38Å; I39-E42 PolarHBondContact O-N 3.49Å; I39-I43 HydrophobicContact CG2-CD1 3.67Å; I39-I43 HydrophobicContact CG2-CG1 4.3Å; I39-I43 WeakPolarHBondContact O-CD1 3.45Å; I39-I43 VanDerWaalsContact O-CG1 3.26Å; I39-I43 WeakPolarHBondContact O-CG1 3.28Å; I39-I43 PolarHBondContact O-N 3Å; I39-R88 VanDerWaalsContact CG2-NH1 3.26Å
40	Q	74.1	Confident	67.6	Low	86 Å²	86	85 Å²	85	40%	0.402	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-37.3	178.1	-76.7	-167.7	-18.9	0	0	112.8	I36 V37 L38 E42 Q44 K83	I36-Q40 PolarHBondContact O-N 2.89Å; V37-Q40 PolarHBondContact O-N 3.45Å; L38-Q40 PolarHBondContact O-N 3.4Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E42 PolarHBondContact O-N 3.33Å; Q40-Q44 WeakPolarHBondContact O-CB 3.14Å; Q40-Q44 PolarHBondContact O-N 2.78Å; Q40-K83 PolarHBondContact NE2-O 3.06Å
41	S	78.1	Confident	69.8	Low	43 Å²	43	80.8 Å²	80.8	30%	0.301	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-36.5	177.7	83.1	0	0	0	0	112.1	V37 L38 I39 K45	V37-S41 PolarHBondContact O-N 2.99Å; V37-S41 VanDerWaalsContact O-N 3.15Å; L38-S41 PolarHBondContact O-N 3.32Å; L38-S41 PolarHBondContact O-OG 3.05Å; I39-S41 VanDerWaalsContact C-N 3.33Å; I39-S41 PolarHBondContact O-N 3.38Å; S41-K45 VanDerWaalsContact O-CG 3.31Å; S41-K45 WeakPolarHBondContact O-CG 3.48Å; S41-K45 PolarHBondContact O-N 3.45Å
42	E	82.6	Confident	72.1	Confident	113 Å²	113	82.8 Å²	82.8	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-71	-45.3	176.9	-70.6	-178.4	175.5	0	0	111.4	L38 I39 Q40 Q44 K45 A46	L38-E42 PolarHBondContact O-N 2.69Å; L38-E42 VanDerWaalsContact O-N 3.16Å; I39-E42 PolarHBondContact O-N 3.49Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E42 PolarHBondContact O-N 3.33Å; E42-Q44 VanDerWaalsContact C-N 3.26Å; E42-Q44 PolarHBondContact O-N 3.17Å; E42-K45 PolarHBondContact O-N 2.89Å; E42-K45 VanDerWaalsContact O-N 3.12Å; E42-A46 WeakPolarHBondContact O-CB 3.42Å; E42-A46 PolarHBondContact O-N 3.4Å
43	I	82.4	Confident	74.2	Confident	29 Å²	29	84.9 Å²	84.9	15%	0.149	40%	0.4	C	S	.	.	H	α-helix	trans	-55.9	-43.9	174.1	-67.7	162.9	0	0	0	110.2	I39 A46 Y47 Y79 L82	I39-I43 HydrophobicContact CG2-CD1 3.67Å; I39-I43 HydrophobicContact CG2-CG1 4.3Å; I39-I43 WeakPolarHBondContact O-CD1 3.45Å; I39-I43 VanDerWaalsContact O-CG1 3.26Å; I39-I43 WeakPolarHBondContact O-CG1 3.28Å; I39-I43 PolarHBondContact O-N 3Å; I43-A46 PolarHBondContact O-N 2.86Å; I43-Y47 WeakPolarHBondContact O-CB 3.19Å; I43-Y47 PolarHBondContact O-N 3.45Å; I43-Y79 HydrophobicContact CG2-CD2 3.86Å; I43-Y79 HydrophobicContact CG2-CE2 4.12Å; I43-L82 HydrophobicContact CD1-CB 4.19Å; I43-L82 HydrophobicContact CG2-CB 4.17Å
44	Q	84.9	Confident	76.1	Confident	75 Å²	75	81.1 Å²	81.1	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-39.7	178.7	-165.7	-178.9	25	0	0	112.5	Q40 E42 R48 Y79	Q40-Q44 WeakPolarHBondContact O-CB 3.14Å; Q40-Q44 PolarHBondContact O-N 2.78Å; E42-Q44 VanDerWaalsContact C-N 3.26Å; E42-Q44 PolarHBondContact O-N 3.17Å; Q44-R48 VanDerWaalsContact CD-NH2 3.34Å; Q44-R48 VanDerWaalsContact O-CG 3.28Å; Q44-R48 WeakPolarHBondContact O-CG 3.34Å; Q44-R48 PolarHBondContact O-N 2.95Å; Q44-Y79 HydrophobicContact CB-CE2 4.42Å; Q44-Y79 HydrophobicContact CG-CE2 4.48Å
45	K	87.5	Confident	78.4	Confident	132 Å²	132	78 Å²	78	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-63.8	-45.7	175.2	-74.8	171.3	-173.8	173.3	0	111.1	S41 E42 R48 Q49	S41-K45 VanDerWaalsContact O-CG 3.31Å; S41-K45 WeakPolarHBondContact O-CG 3.48Å; S41-K45 PolarHBondContact O-N 3.45Å; E42-K45 PolarHBondContact O-N 2.89Å; E42-K45 VanDerWaalsContact O-N 3.12Å; K45-R48 PolarHBondContact O-N 3.1Å; K45-Q49 WeakPolarHBondContact O-CG 3.46Å; K45-Q49 PolarHBondContact O-N 3.33Å
46	A	85.8	Confident	80.1	Confident	21 Å²	21	76.5 Å²	76.5	17%	0.174	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-42.5	-179.7	0	0	0	0	0	111.8	L8 E42 I43 R48 Q49 L50	L8-A46 HydrophobicContact CD2-CB 3.31Å; E42-A46 WeakPolarHBondContact O-CB 3.42Å; E42-A46 PolarHBondContact O-N 3.4Å; I43-A46 PolarHBondContact O-N 2.86Å; A46-R48 PolarHBondContact O-N 2.94Å; A46-Q49 PolarHBondContact O-N 3.43Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.88Å
47	Y	88.3	Confident	81.5	Confident	62 Å²	62	81.5 Å²	81.5	24%	0.243	39%	0.386	C	S	.	.	H	α-helix	trans	-55.5	-48.9	171.2	171.6	-108.8	0	0	0	111.5	I43 Q49 L50 A51 V75 Y79	I43-Y47 WeakPolarHBondContact O-CB 3.19Å; I43-Y47 PolarHBondContact O-N 3.45Å; Y47-Q49 VanDerWaalsContact C-N 3.31Å; Y47-Q49 PolarHBondContact O-N 3.42Å; Y47-L50 PolarHBondContact O-N 2.87Å; Y47-A51 HydrophobicContact CD2-CB 4.47Å; Y47-A51 HydrophobicContact CE2-CB 4.14Å; Y47-A51 WeakPolarHBondContact O-CB 3.19Å; Y47-A51 PolarHBondContact O-N 3.2Å; Y47-V75 HydrophobicContact CD2-CG1 3.64Å; Y47-V75 HydrophobicContact CE2-CG1 3.93Å; Y47-Y79 HydrophobicContact CD1-CD1 4.1Å; Y47-Y79 HydrophobicContact CD1-CD2 4.14Å; Y47-Y79 HydrophobicContact CD1-CE1 4.31Å; Y47-Y79 HydrophobicContact CD1-CE2 4.36Å; Y47-Y79 HydrophobicContact CD1-CG 4.01Å; Y47-Y79 VanDerWaalsContact CD2-CB 3.43Å; Y47-Y79 HydrophobicContact CD2-CD1 4.29Å; Y47-Y79 HydrophobicContact CD2-CD2 4.22Å; Y47-Y79 AromaticContact CD2-CG 3.73Å; Y47-Y79 HydrophobicContact CD2-CG 3.73Å; Y47-Y79 HydrophobicContact CE1-CD1 4.16Å; Y47-Y79 HydrophobicContact CE1-CE1 4.41Å; Y47-Y79 HydrophobicContact CE1-CG 4.45Å; Y47-Y79 HydrophobicContact CE2-CD1 4.36Å; Y47-Y79 HydrophobicContact CE2-CG 4.2Å; Y47-Y79 HydrophobicContact CG-CD1 4.16Å; Y47-Y79 AromaticContact CG-CD2 3.71Å; Y47-Y79 HydrophobicContact CG-CD2 3.71Å; Y47-Y79 HydrophobicContact CG-CE2 4.33Å; Y47-Y79 AromaticContact CG-CG 3.62Å; Y47-Y79 HydrophobicContact CG-CG 3.62Å
48	R	87.9	Confident	82.8	Confident	155 Å²	155	83.4 Å²	83.4	59%	0.585	39%	0.388	S	S	*	.	H	α-helix	trans	-61	-38.5	178.8	-72	174.7	-170.3	-175.6	6.6	112.4	Q44 K45 A46 R52	Q44-R48 VanDerWaalsContact CD-NH2 3.34Å; Q44-R48 VanDerWaalsContact O-CG 3.28Å; Q44-R48 WeakPolarHBondContact O-CG 3.34Å; Q44-R48 PolarHBondContact O-N 2.95Å; K45-R48 PolarHBondContact O-N 3.1Å; A46-R48 PolarHBondContact O-N 2.94Å; R48-R52 WeakPolarHBondContact O-CB 3.38Å; R48-R52 PolarHBondContact O-N 3.35Å; R48-R52 VanDerWaalsContact O-N 3.09Å
49	Q	88.4	Confident	84.1	Confident	143 Å²	143	82.6 Å²	82.6	67%	0.668	38%	0.382	S	S	*	.	H	α-helix	trans	-67.1	-48.7	177.3	-72.4	175.9	-6.3	0	0	111.8	K45 A46 Y47 R52 K53	K45-Q49 WeakPolarHBondContact O-CG 3.46Å; K45-Q49 PolarHBondContact O-N 3.33Å; A46-Q49 PolarHBondContact O-N 3.43Å; Y47-Q49 VanDerWaalsContact C-N 3.31Å; Y47-Q49 PolarHBondContact O-N 3.42Å; Q49-R52 PolarHBondContact O-N 3.08Å; Q49-K53 PolarHBondContact O-N 2.95Å
50	L	87.6	Confident	84.5	Confident	30 Å²	30	88.8 Å²	88.8	16%	0.157	41%	0.407	C	S	.	.	H	α-helix	trans	-68.3	-44.3	180	-68.2	174.9	0	0	0	112.2	L8 A46 Y47 R52 K53 Y54 V75	L8-L50 HydrophobicContact CD1-CD1 4.13Å; L8-L50 HydrophobicContact CD2-CD1 3.75Å; L8-L50 HydrophobicContact CG-CD1 4.06Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.88Å; Y47-L50 PolarHBondContact O-N 2.87Å; L50-R52 PolarHBondContact O-N 3.15Å; L50-K53 WeakPolarHBondContact O-CB 3.29Å; L50-K53 PolarHBondContact O-N 3.32Å; L50-Y54 HydrophobicContact CD2-CE2 4.02Å; L50-Y54 WeakPolarHBondContact O-CD2 3.47Å; L50-Y54 PolarHBondContact O-N 3.3Å; L50-V75 HydrophobicContact CB-CG1 3.81Å; L50-V75 HydrophobicContact CB-CG2 4.08Å; L50-V75 HydrophobicContact CD1-CG2 4.34Å
51	A	88.4	Confident	84.9	Confident	12 Å²	12	90 Å²	90	10%	0.099	42%	0.416	C	S	.	.	H	α-helix	trans	-58.6	-38.3	174.6	0	0	0	0	0	111.3	Y47 K53 H55 F72	Y47-A51 HydrophobicContact CD2-CB 4.47Å; Y47-A51 HydrophobicContact CE2-CB 4.14Å; Y47-A51 WeakPolarHBondContact O-CB 3.19Å; Y47-A51 PolarHBondContact O-N 3.2Å; A51-K53 VanDerWaalsContact C-N 3.35Å; A51-H55 WeakPolarHBondContact O-CB 3.24Å; A51-H55 PolarHBondContact O-N 2.64Å; A51-H55 VanDerWaalsContact O-N 3.09Å; A51-F72 HydrophobicContact CB-CD2 4.37Å; A51-F72 HydrophobicContact CB-CE2 3.74Å
52	R	87.9	Confident	85.1	Confident	179 Å²	179	96.1 Å²	96.1	68%	0.675	44%	0.44	S	S	*	.	H	α-helix	trans	-72.6	-24.5	174.9	-175.3	172.5	-173.5	-155.5	0.6	113.1	R48 Q49 L50 K58	R48-R52 WeakPolarHBondContact O-CB 3.38Å; R48-R52 PolarHBondContact O-N 3.35Å; R48-R52 VanDerWaalsContact O-N 3.09Å; Q49-R52 PolarHBondContact O-N 3.08Å; L50-R52 PolarHBondContact O-N 3.15Å; R52-K58 VanDerWaalsContact CG-NZ 3.33Å; R52-K58 VanDerWaalsContact O-CD 3.23Å; R52-K58 WeakPolarHBondContact O-CD 3.35Å; R52-K58 WeakPolarHBondContact O-CE 3.5Å; R52-K58 PolarHBondContact O-NZ 3.27Å
53	K	86.2	Confident	85.1	Confident	122 Å²	122	98 Å²	98	53%	0.53	45%	0.449	S	S	.	.	H	α-helix	trans	-79.6	-44.1	176.7	-173.7	-177.8	177.7	-169.2	0	111.5	Q49 L50 A51	Q49-K53 PolarHBondContact O-N 2.95Å; L50-K53 WeakPolarHBondContact O-CB 3.29Å; L50-K53 PolarHBondContact O-N 3.32Å; A51-K53 VanDerWaalsContact C-N 3.35Å
54	Y	85.5	Confident	85	Confident	54 Å²	54	98.4 Å²	98.4	21%	0.212	45%	0.454	C	S	.	.	S	Bend	trans	-99.2	16.6	-175.9	-58.7	-63.5	0	0	0	113.9	L50 A68 L71 V75	L50-Y54 HydrophobicContact CD2-CE2 4.02Å; L50-Y54 WeakPolarHBondContact O-CD2 3.47Å; L50-Y54 PolarHBondContact O-N 3.3Å; Y54-A68 VanDerWaalsContact O-O 3.12Å; Y54-L71 HydrophobicContact CD1-CB 3.99Å; Y54-L71 HydrophobicContact CD1-CD1 3.69Å; Y54-L71 HydrophobicContact CD1-CG 4.48Å; Y54-L71 HydrophobicContact CD2-CB 4.37Å; Y54-L71 HydrophobicContact CE1-CD1 3.59Å; Y54-L71 HydrophobicContact CG-CB 3.93Å; Y54-L71 HydrophobicContact CG-CD1 4.44Å; Y54-V75 HydrophobicContact CD2-CG2 4.34Å
55	H	86	Confident	85	Confident	69 Å²	69	99.2 Å²	99.2	32%	0.319	46%	0.456	S	S	.	.			trans	-63.6	129.4	175.1	-161.5	-84.1	0	0	0	110.1	A51 D57 K58	A51-H55 WeakPolarHBondContact O-CB 3.24Å; A51-H55 PolarHBondContact O-N 2.64Å; A51-H55 VanDerWaalsContact O-N 3.09Å; H55-D57 IonicContact CE1-OD2 3.14Å; H55-D57 PolarHBondContact CE1-OD2 3.38Å; H55-D57 WeakPolarHBondContact ND1-CB 3.44Å; H55-D57 PolarHBondContact ND1-N 3.3Å; H55-D57 IonicContact ND1-OD2 3.06Å; H55-D57 PolarHBondContact O-N 3.39Å; H55-K58 PolarHBondContact O-N 3.13Å
56	P	82.4	Confident	84.8	Confident	36 Å²	36	95.7 Å²	95.7	23%	0.234	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-57.5	-35.8	-174.7	20.6	-32.4	0	0	0	112.5	K58 Q59	P56-K58 PolarHBondContact O-N 2.63Å; P56-K58 VanDerWaalsContact O-N 3.12Å; P56-Q59 PolarHBondContact O-N 3.28Å
57	D	85.9	Confident	84.7	Confident	133 Å²	133	100.5 Å²	100.5	71%	0.711	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-65.4	-14.6	179.2	-60.4	-10.9	0	0	0	115.1	H55	H55-D57 IonicContact CE1-OD2 3.14Å; H55-D57 PolarHBondContact CE1-OD2 3.38Å; H55-D57 WeakPolarHBondContact ND1-CB 3.44Å; H55-D57 PolarHBondContact ND1-N 3.3Å; H55-D57 IonicContact ND1-OD2 3.06Å; H55-D57 PolarHBondContact O-N 3.39Å
58	K	83.8	Confident	84.6	Confident	115 Å²	115	97.7 Å²	97.7	50%	0.5	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-86.3	-17.5	178.4	-76.9	-161.7	178.4	-178.6	0	114.1	R52 H55 P56	R52-K58 VanDerWaalsContact CG-NZ 3.33Å; R52-K58 VanDerWaalsContact O-CD 3.23Å; R52-K58 WeakPolarHBondContact O-CD 3.35Å; R52-K58 WeakPolarHBondContact O-CE 3.5Å; R52-K58 PolarHBondContact O-NZ 3.27Å; H55-K58 PolarHBondContact O-N 3.13Å; P56-K58 PolarHBondContact O-N 2.63Å; P56-K58 VanDerWaalsContact O-N 3.12Å
59	Q	83.2	Confident	84.6	Confident	63 Å²	63	96.2 Å²	96.2	29%	0.294	46%	0.46	S	S	.	.			trans	-89.5	134.2	178.7	-56.2	-58.1	-15.2	0	0	109.3	P56 K65 A68	P56-Q59 PolarHBondContact O-N 3.28Å; Q59-K65 HydrophobicContact CB-CG 3.86Å; Q59-K65 WeakPolarHBondContact O-CE 3.42Å; Q59-A68 HydrophobicContact CG-CB 3.64Å
60	K	78.5	Confident	84.4	Confident	192 Å²	192	94 Å²	94	84%	0.835	45%	0.449	S	S	*	.			trans	-85.6	-40.2	-179	-68.5	-177.4	178.8	179.5	0	111.5
61	D	82.5	Confident	84.4	Confident	111 Å²	111	95.2 Å²	95.2	59%	0.594	46%	0.456	S	S	*	.	S	Bend	trans	-84.8	144.3	-174.5	-55.6	-37.1	0	0	0	111.8	E63 S64 K65	D61-E63 PolarHBondContact O-N 3.25Å; D61-S64 PolarHBondContact O-N 3.01Å; D61-K65 WeakPolarHBondContact O-CG 3.43Å; D61-K65 PolarHBondContact O-N 3.36Å
62	E	81.7	Confident	84.4	Confident	173 Å²	173	97.4 Å²	97.4	81%	0.808	46%	0.463	S	S	*	.	H	α-helix	trans	-66.4	-38	-173.6	-164.2	169.2	-163.3	0	0	112.6	K65 A66	E62-K65 WeakPolarHBondContact O-CB 3.37Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-A66 PolarHBondContact O-N 2.95Å
63	E	81.3	Confident	84.4	Confident	153 Å²	153	95.6 Å²	95.6	72%	0.715	46%	0.456	S	S	*	.	H	α-helix	trans	-65.8	-46.5	175.1	-167.6	171	-159.6	0	0	111.3	D61 K65 A66 E67	D61-E63 PolarHBondContact O-N 3.25Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.5Å; E63-A66 WeakPolarHBondContact O-CB 3.48Å; E63-A66 PolarHBondContact O-N 2.95Å; E63-A66 VanDerWaalsContact O-N 3.11Å; E63-E67 PolarHBondContact O-N 3.37Å; E63-E67 VanDerWaalsContact O-N 3.09Å
64	S	80.8	Confident	84.4	Confident	36 Å²	36	92.4 Å²	92.4	25%	0.252	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-28.8	176	-54.4	0	0	0	0	113	D61 A68	D61-S64 PolarHBondContact O-N 3.01Å; S64-A68 WeakPolarHBondContact O-CB 3.46Å; S64-A68 PolarHBondContact O-N 2.87Å
65	K	84.6	Confident	84.5	Confident	92 Å²	92	90.1 Å²	90.1	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-42.7	171.8	-78.3	178.3	-176.5	177.4	0	111.9	Q59 D61 E62 E63 A68 Q69	Q59-K65 HydrophobicContact CB-CG 3.86Å; Q59-K65 WeakPolarHBondContact O-CE 3.42Å; D61-K65 WeakPolarHBondContact O-CG 3.43Å; D61-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact O-CB 3.37Å; E62-K65 PolarHBondContact O-N 3.09Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.5Å; K65-A68 PolarHBondContact O-N 3.39Å; K65-Q69 WeakPolarHBondContact O-CB 3.35Å; K65-Q69 PolarHBondContact O-N 2.83Å
66	A	84	Confident	84.6	Confident	58 Å²	58	87.9 Å²	87.9	48%	0.479	43%	0.43	S	S	.	.	H	α-helix	trans	-63.8	-45.5	177.8	0	0	0	0	0	111.4	E62 E63 Q69 E70	E62-A66 PolarHBondContact O-N 2.95Å; E63-A66 WeakPolarHBondContact O-CB 3.48Å; E63-A66 PolarHBondContact O-N 2.95Å; E63-A66 VanDerWaalsContact O-N 3.11Å; A66-Q69 PolarHBondContact O-N 2.94Å; A66-E70 PolarHBondContact O-N 3.36Å; A66-E70 VanDerWaalsContact O-N 3.09Å
67	E	83.9	Confident	84.7	Confident	122 Å²	122	88.8 Å²	88.8	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-62.3	-44.4	175.2	-68.1	-175.5	165.3	0	0	112.2	E63 Q69 E70 L71	E63-E67 PolarHBondContact O-N 3.37Å; E63-E67 VanDerWaalsContact O-N 3.09Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 2.86Å; E67-E70 PolarHBondContact O-N 3.48Å; E67-L71 WeakPolarHBondContact O-CB 3.49Å; E67-L71 WeakPolarHBondContact O-CG 3.26Å; E67-L71 PolarHBondContact O-N 3.33Å
68	A	85.9	Confident	84.6	Confident	3 Å²	3	83.1 Å²	83.1	3%	0.025	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-36.3	176.8	0	0	0	0	0	112.1	Y54 Q59 S64 K65 L71 F72	Y54-A68 VanDerWaalsContact O-O 3.12Å; Q59-A68 HydrophobicContact CG-CB 3.64Å; S64-A68 WeakPolarHBondContact O-CB 3.46Å; S64-A68 PolarHBondContact O-N 2.87Å; K65-A68 PolarHBondContact O-N 3.39Å; A68-L71 PolarHBondContact O-N 3.2Å; A68-F72 WeakPolarHBondContact O-CB 3.27Å; A68-F72 PolarHBondContact O-N 3.48Å
69	Q	87.2	Confident	84.8	Confident	125 Å²	125	79.9 Å²	79.9	58%	0.584	39%	0.392	S	S	*	.	H	α-helix	trans	-65.2	-44.1	176.2	-176.8	174.8	-17.8	0	0	112.1	K65 A66 E67 F72 R73	K65-Q69 WeakPolarHBondContact O-CB 3.35Å; K65-Q69 PolarHBondContact O-N 2.83Å; A66-Q69 PolarHBondContact O-N 2.94Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 2.86Å; Q69-F72 PolarHBondContact O-N 3.09Å; Q69-R73 WeakPolarHBondContact O-CB 3.35Å; Q69-R73 PolarHBondContact O-N 3.25Å
70	E	85.4	Confident	84.9	Confident	95 Å²	95	82.3 Å²	82.3	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-45.1	174.1	-81.3	-59.9	146.9	0	0	111.6	A66 E67 F72 R73 L74	A66-E70 PolarHBondContact O-N 3.36Å; A66-E70 VanDerWaalsContact O-N 3.09Å; E67-E70 PolarHBondContact O-N 3.48Å; E70-F72 VanDerWaalsContact C-N 3.33Å; E70-F72 PolarHBondContact O-N 3.37Å; E70-R73 WeakPolarHBondContact O-CB 3.36Å; E70-R73 PolarHBondContact O-N 3.38Å; E70-R73 IonicContact OE1-NE 3.22Å; E70-R73 IonicContact OE1-NH2 3.98Å; E70-R73 IonicContact OE2-CZ 2.65Å; E70-R73 IonicContact OE2-NE 2.66Å; E70-R73 PolarHBondContact OE2-NE 3.33Å; E70-R73 IonicContact OE2-NH2 2.9Å; E70-R73 PolarHBondContact OE2-NH2 3Å; E70-L74 WeakPolarHBondContact O-CG 3.06Å; E70-L74 PolarHBondContact O-N 3.19Å
71	L	86.8	Confident	85	Confident	56 Å²	56	75.7 Å²	75.7	29%	0.293	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-39.5	176.6	-72.7	169.7	0	0	0	112.1	Y54 E67 A68 L74 V75	Y54-L71 HydrophobicContact CD1-CB 3.99Å; Y54-L71 HydrophobicContact CD1-CD1 3.69Å; Y54-L71 HydrophobicContact CD1-CG 4.48Å; Y54-L71 HydrophobicContact CD2-CB 4.37Å; Y54-L71 HydrophobicContact CE1-CD1 3.59Å; Y54-L71 HydrophobicContact CG-CB 3.93Å; Y54-L71 HydrophobicContact CG-CD1 4.44Å; E67-L71 WeakPolarHBondContact O-CB 3.49Å; E67-L71 WeakPolarHBondContact O-CG 3.26Å; E67-L71 PolarHBondContact O-N 3.33Å; A68-L71 PolarHBondContact O-N 3.2Å; L71-L74 PolarHBondContact O-N 2.94Å; L71-V75 WeakPolarHBondContact O-CB 3.33Å; L71-V75 VanDerWaalsContact O-CG2 3.24Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 3.26Å
72	F	89.4	Confident	85	Confident	58 Å²	58	71.5 Å²	71.5	25%	0.254	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-43	175.4	-172.4	-93	0	0	0	111.5	A51 A68 Q69 E70 L74 V75 A76	A51-F72 HydrophobicContact CB-CD2 4.37Å; A51-F72 HydrophobicContact CB-CE2 3.74Å; A68-F72 WeakPolarHBondContact O-CB 3.27Å; A68-F72 PolarHBondContact O-N 3.48Å; Q69-F72 PolarHBondContact O-N 3.09Å; E70-F72 VanDerWaalsContact C-N 3.33Å; E70-F72 PolarHBondContact O-N 3.37Å; F72-L74 VanDerWaalsContact C-N 3.34Å; F72-L74 PolarHBondContact O-N 2.78Å; F72-V75 PolarHBondContact O-N 3.4Å; F72-A76 WeakPolarHBondContact O-CB 3.43Å; F72-A76 PolarHBondContact O-N 2.89Å
73	R	88	Confident	85.1	Confident	141 Å²	141	69.2 Å²	69.2	53%	0.532	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.1	-169.7	179.7	71.5	104.6	-1.2	111.5	Q69 E70 A76 T77	Q69-R73 WeakPolarHBondContact O-CB 3.35Å; Q69-R73 PolarHBondContact O-N 3.25Å; E70-R73 WeakPolarHBondContact O-CB 3.36Å; E70-R73 PolarHBondContact O-N 3.38Å; E70-R73 IonicContact OE1-NE 3.22Å; E70-R73 IonicContact OE1-NH2 3.98Å; E70-R73 IonicContact OE2-CZ 2.65Å; E70-R73 IonicContact OE2-NE 2.66Å; E70-R73 PolarHBondContact OE2-NE 3.33Å; E70-R73 IonicContact OE2-NH2 2.9Å; E70-R73 PolarHBondContact OE2-NH2 3Å; R73-A76 PolarHBondContact O-N 3.02Å; R73-T77 WeakPolarHBondContact O-CB 3.34Å; R73-T77 PolarHBondContact O-N 3.41Å; R73-T77 PolarHBondContact O-OG1 3.34Å
74	L	86	Confident	85	Confident	56 Å²	56	65.4 Å²	65.4	29%	0.293	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175.2	-71.6	172.6	0	0	0	112	M1 E70 L71 F72 T77 A78	M1-L74 HydrophobicContact CG-CD2 4.2Å; E70-L74 WeakPolarHBondContact O-CG 3.06Å; E70-L74 PolarHBondContact O-N 3.19Å; L71-L74 PolarHBondContact O-N 2.94Å; F72-L74 VanDerWaalsContact C-N 3.34Å; F72-L74 PolarHBondContact O-N 2.78Å; L74-T77 PolarHBondContact O-N 3.09Å; L74-A78 WeakPolarHBondContact O-CB 3.33Å; L74-A78 PolarHBondContact O-N 3.44Å
75	V	86.7	Confident	84.9	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-40.8	177.1	168.6	0	0	0	0	111.4	V4 Y47 L50 Y54 L71 F72 A78 Y79	V4-V75 HydrophobicContact CG1-CG2 4.36Å; Y47-V75 HydrophobicContact CD2-CG1 3.64Å; Y47-V75 HydrophobicContact CE2-CG1 3.93Å; L50-V75 HydrophobicContact CB-CG1 3.81Å; L50-V75 HydrophobicContact CB-CG2 4.08Å; L50-V75 HydrophobicContact CD1-CG2 4.34Å; Y54-V75 HydrophobicContact CD2-CG2 4.34Å; L71-V75 WeakPolarHBondContact O-CB 3.33Å; L71-V75 VanDerWaalsContact O-CG2 3.24Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 3.26Å; F72-V75 PolarHBondContact O-N 3.4Å; V75-A78 PolarHBondContact O-N 2.99Å; V75-Y79 WeakPolarHBondContact O-CB 3.42Å; V75-Y79 PolarHBondContact O-N 2.71Å
76	A	88.9	Confident	84.5	Confident	23 Å²	23	67.9 Å²	67.9	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-44.1	174.6	0	0	0	0	0	111.8	F72 R73 A78 Y79 E80	F72-A76 WeakPolarHBondContact O-CB 3.43Å; F72-A76 PolarHBondContact O-N 2.89Å; R73-A76 PolarHBondContact O-N 3.02Å; A76-A78 PolarHBondContact O-N 3.23Å; A76-Y79 PolarHBondContact O-N 3.5Å; A76-E80 PolarHBondContact O-N 3.47Å
77	T	85	Confident	84	Confident	55 Å²	55	66.9 Å²	66.9	34%	0.337	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-43.8	177	-52.1	0	0	0	0	111.1	R73 L74 Y79 E80 T81	R73-T77 WeakPolarHBondContact O-CB 3.34Å; R73-T77 PolarHBondContact O-N 3.41Å; R73-T77 PolarHBondContact O-OG1 3.34Å; L74-T77 PolarHBondContact O-N 3.09Å; T77-Y79 VanDerWaalsContact C-N 3.34Å; T77-Y79 PolarHBondContact O-N 3.15Å; T77-E80 PolarHBondContact O-N 2.95Å; T77-T81 WeakPolarHBondContact O-CG2 3.35Å; T77-T81 PolarHBondContact O-N 3.28Å; T77-T81 PolarHBondContact O-OG1 3.22Å
78	A	84	Confident	83.8	Confident	14 Å²	14	62.5 Å²	62.5	12%	0.116	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-37	176.4	0	0	0	0	0	112.4	L74 V75 A76 T81 L82	L74-A78 WeakPolarHBondContact O-CB 3.33Å; L74-A78 PolarHBondContact O-N 3.44Å; V75-A78 PolarHBondContact O-N 2.99Å; A76-A78 PolarHBondContact O-N 3.23Å; A78-T81 WeakPolarHBondContact CA-OG1 3.09Å; A78-T81 PolarHBondContact O-OG1 3.21Å; A78-L82 VanDerWaalsContact O-CB 3.31Å; A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 WeakPolarHBondContact O-CG 3.18Å; A78-L82 PolarHBondContact O-N 2.77Å
79	Y	87.1	Confident	83.5	Confident	47 Å²	47	68 Å²	68	18%	0.184	33%	0.328	C	S	.	.	H	α-helix	trans	-67.2	-41.5	174.9	178.7	-110	0	0	0	112	I43 Q44 Y47 V75 A76 T77 L82 K83	I43-Y79 HydrophobicContact CG2-CD2 3.86Å; I43-Y79 HydrophobicContact CG2-CE2 4.12Å; Q44-Y79 HydrophobicContact CB-CE2 4.42Å; Q44-Y79 HydrophobicContact CG-CE2 4.48Å; Y47-Y79 HydrophobicContact CD1-CD1 4.1Å; Y47-Y79 HydrophobicContact CD1-CD2 4.14Å; Y47-Y79 HydrophobicContact CD1-CE1 4.31Å; Y47-Y79 HydrophobicContact CD1-CE2 4.36Å; Y47-Y79 HydrophobicContact CD1-CG 4.01Å; Y47-Y79 VanDerWaalsContact CD2-CB 3.43Å; Y47-Y79 HydrophobicContact CD2-CD1 4.29Å; Y47-Y79 HydrophobicContact CD2-CD2 4.22Å; Y47-Y79 AromaticContact CD2-CG 3.73Å; Y47-Y79 HydrophobicContact CD2-CG 3.73Å; Y47-Y79 HydrophobicContact CE1-CD1 4.16Å; Y47-Y79 HydrophobicContact CE1-CE1 4.41Å; Y47-Y79 HydrophobicContact CE1-CG 4.45Å; Y47-Y79 HydrophobicContact CE2-CD1 4.36Å; Y47-Y79 HydrophobicContact CE2-CG 4.2Å; Y47-Y79 HydrophobicContact CG-CD1 4.16Å; Y47-Y79 AromaticContact CG-CD2 3.71Å; Y47-Y79 HydrophobicContact CG-CD2 3.71Å; Y47-Y79 HydrophobicContact CG-CE2 4.33Å; Y47-Y79 AromaticContact CG-CG 3.62Å; Y47-Y79 HydrophobicContact CG-CG 3.62Å; V75-Y79 WeakPolarHBondContact O-CB 3.42Å; V75-Y79 PolarHBondContact O-N 2.71Å; A76-Y79 PolarHBondContact O-N 3.5Å; T77-Y79 VanDerWaalsContact C-N 3.34Å; T77-Y79 PolarHBondContact O-N 3.15Å; Y79-L82 PolarHBondContact O-N 3.04Å; Y79-K83 HydrophobicContact CE1-CD 4.07Å; Y79-K83 WeakPolarHBondContact O-CB 3.4Å; Y79-K83 PolarHBondContact O-N 3.37Å
80	E	85.9	Confident	82.8	Confident	114 Å²	114	64.3 Å²	64.3	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-43.8	175.9	-74.2	-175.8	179	0	0	112.3	A76 T77 R120	A76-E80 PolarHBondContact O-N 3.47Å; T77-E80 PolarHBondContact O-N 2.95Å; E80-R120 IonicContact OE2-NH2 3.96Å
81	T	80.3	Confident	82.2	Confident	52 Å²	52	61.9 Å²	61.9	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-69.1	-38.5	179.6	53.4	0	0	0	0	112.7	T77 A78 S87 R88	T77-T81 WeakPolarHBondContact O-CG2 3.35Å; T77-T81 PolarHBondContact O-N 3.28Å; T77-T81 PolarHBondContact O-OG1 3.22Å; A78-T81 WeakPolarHBondContact CA-OG1 3.09Å; A78-T81 PolarHBondContact O-OG1 3.21Å; T81-S87 VanDerWaalsContact O-CB 3.3Å; T81-S87 WeakPolarHBondContact O-CB 3.46Å; T81-R88 PolarHBondContact O-N 3.46Å
82	L	83.1	Confident	81.8	Confident	24 Å²	24	62.3 Å²	62.3	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-81.8	-20.6	-178.4	-66.7	174.7	0	0	0	113.8	I43 A78 Y79 R88 Y91	I43-L82 HydrophobicContact CD1-CB 4.19Å; I43-L82 HydrophobicContact CG2-CB 4.17Å; A78-L82 VanDerWaalsContact O-CB 3.31Å; A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 WeakPolarHBondContact O-CG 3.18Å; A78-L82 PolarHBondContact O-N 2.77Å; Y79-L82 PolarHBondContact O-N 3.04Å; L82-R88 HydrophobicContact CD2-CG 4.03Å; L82-Y91 HydrophobicContact CD2-CD1 4.26Å
83	K	82.3	Confident	81.1	Confident	125 Å²	125	63.5 Å²	63.5	54%	0.543	31%	0.306	S	S	.	.	H	α-helix	trans	-71.3	-38.7	179.1	179.9	-177.1	178.3	-173.2	0	112.1	Q40 Y79	Q40-K83 PolarHBondContact NE2-O 3.06Å; Y79-K83 HydrophobicContact CE1-CD 4.07Å; Y79-K83 WeakPolarHBondContact O-CB 3.4Å; Y79-K83 PolarHBondContact O-N 3.37Å
84	D	80.4	Confident	80.3	Confident	73 Å²	73	60.1 Å²	60.1	39%	0.39	30%	0.297	S	S	.	.	S	Bend	trans	-83.5	123.8	178.6	179.9	70.7	0	0	0	110.4	E86 S87 R88	D84-E86 VanDerWaalsContact C-N 3.31Å; D84-E86 PolarHBondContact O-N 3.04Å; D84-S87 PolarHBondContact O-N 2.68Å; D84-S87 VanDerWaalsContact OD2-CB 3.31Å; D84-S87 WeakPolarHBondContact OD2-CB 3.06Å; D84-S87 PolarHBondContact OD2-N 3.32Å; D84-S87 PolarHBondContact OD2-OG 2.86Å; D84-R88 WeakPolarHBondContact O-CB 3.38Å; D84-R88 PolarHBondContact O-N 3.49Å
85	E	78.9	Confident	79.5	Confident	79 Å²	79	61.5 Å²	61.5	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-37	-171.6	-167.9	-170.5	151.8	0	0	112.3	K89	E85-K89 WeakPolarHBondContact O-CG 3.33Å; E85-K89 PolarHBondContact O-N 3.48Å; E85-K89 VanDerWaalsContact OE1-CE 3.29Å; E85-K89 WeakPolarHBondContact OE1-CE 3.44Å; E85-K89 IonicContact OE1-NZ 3.21Å; E85-K89 PolarHBondContact OE1-NZ 3.41Å
86	E	74.6	Confident	79.1	Confident	100 Å²	100	67.2 Å²	67.2	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-74	-43.2	-179.1	-166.9	169.6	-170.2	0	0	111.1	D84 R88 K89 N90 H119	D84-E86 VanDerWaalsContact C-N 3.31Å; D84-E86 PolarHBondContact O-N 3.04Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.24Å; E86-K89 PolarHBondContact O-N 3.07Å; E86-N90 PolarHBondContact O-N 3.5Å; E86-N90 PolarHBondContact O-ND2 2.84Å; E86-H119 IonicContact OE1-CE1 3.64Å; E86-H119 PolarHBondContact OE1-CE1 3.5Å; E86-H119 IonicContact OE1-NE2 3.51Å; E86-H119 IonicContact OE2-CE1 2.64Å; E86-H119 PolarHBondContact OE2-CE1 3.28Å; E86-H119 IonicContact OE2-NE2 3.52Å
87	S	74.9	Confident	78.2	Confident	37 Å²	37	69.1 Å²	69.1	26%	0.259	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-39.8	172.1	-58.4	0	0	0	0	112	T81 D84 N90 Y91	T81-S87 VanDerWaalsContact O-CB 3.3Å; T81-S87 WeakPolarHBondContact O-CB 3.46Å; D84-S87 PolarHBondContact O-N 2.68Å; D84-S87 VanDerWaalsContact OD2-CB 3.31Å; D84-S87 WeakPolarHBondContact OD2-CB 3.06Å; D84-S87 PolarHBondContact OD2-N 3.32Å; D84-S87 PolarHBondContact OD2-OG 2.86Å; S87-N90 PolarHBondContact O-N 3.02Å; S87-Y91 WeakPolarHBondContact O-CB 3.46Å; S87-Y91 PolarHBondContact O-N 3.41Å
88	R	80.2	Confident	77.3	Confident	30 Å²	30	71 Å²	71	11%	0.113	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-47.9	174.7	-172.2	-179.8	72.4	175.3	1.8	111.7	I39 T81 L82 D84 E86 N90 Y91 D92	I39-R88 VanDerWaalsContact CG2-NH1 3.26Å; T81-R88 PolarHBondContact O-N 3.46Å; L82-R88 HydrophobicContact CD2-CG 4.03Å; D84-R88 WeakPolarHBondContact O-CB 3.38Å; D84-R88 PolarHBondContact O-N 3.49Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.24Å; R88-N90 VanDerWaalsContact C-N 3.28Å; R88-N90 PolarHBondContact O-N 3.49Å; R88-Y91 WeakPolarHBondContact O-CB 3.36Å; R88-Y91 PolarHBondContact O-N 2.93Å; R88-Y91 VanDerWaalsContact O-N 3.08Å; R88-D92 VanDerWaalsContact O-CG 3.26Å; R88-D92 PolarHBondContact O-N 3.31Å
89	K	79.6	Confident	76.3	Confident	118 Å²	118	74.6 Å²	74.6	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-57.7	-40.8	176.3	-76.7	173.9	-174.2	165.2	0	112.4	E85 E86 Y91 Y93	E85-K89 WeakPolarHBondContact O-CG 3.33Å; E85-K89 PolarHBondContact O-N 3.48Å; E85-K89 VanDerWaalsContact OE1-CE 3.29Å; E85-K89 WeakPolarHBondContact OE1-CE 3.44Å; E85-K89 IonicContact OE1-NZ 3.21Å; E85-K89 PolarHBondContact OE1-NZ 3.41Å; E86-K89 PolarHBondContact O-N 3.07Å; K89-Y91 VanDerWaalsContact C-N 3.35Å; K89-Y93 WeakPolarHBondContact O-CB 3.22Å; K89-Y93 PolarHBondContact O-N 2.94Å
90	N	71.1	Confident	74.9	Confident	49 Å²	49	73 Å²	73	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-66.7	-37.4	176.6	-73.1	-36.1	0	0	0	112.2	E86 S87 R88 M94	E86-N90 PolarHBondContact O-N 3.5Å; E86-N90 PolarHBondContact O-ND2 2.84Å; S87-N90 PolarHBondContact O-N 3.02Å; R88-N90 VanDerWaalsContact C-N 3.28Å; R88-N90 PolarHBondContact O-N 3.49Å; N90-M94 PolarHBondContact O-N 3.4Å; N90-M94 VanDerWaalsContact O-N 3.16Å
91	Y	72.9	Confident	73.5	Confident	43 Å²	43	73.9 Å²	73.9	17%	0.169	38%	0.38	C	S	.	.	H	α-helix	trans	-68.9	-43.7	175.6	179.2	-96.4	0	0	0	112.1	T5 L82 S87 R88 K89 Y93 M94 L95	T5-Y91 WeakPolarHBondContact CB-OH 3.21Å; T5-Y91 VanDerWaalsContact CG2-OH 3.26Å; T5-Y91 WeakPolarHBondContact CG2-OH 3.39Å; T5-Y91 PolarHBondContact OG1-OH 2.66Å; L82-Y91 HydrophobicContact CD2-CD1 4.26Å; S87-Y91 WeakPolarHBondContact O-CB 3.46Å; S87-Y91 PolarHBondContact O-N 3.41Å; R88-Y91 WeakPolarHBondContact O-CB 3.36Å; R88-Y91 PolarHBondContact O-N 2.93Å; R88-Y91 VanDerWaalsContact O-N 3.08Å; K89-Y91 VanDerWaalsContact C-N 3.35Å; Y91-Y93 VanDerWaalsContact C-N 3.35Å; Y91-Y93 PolarHBondContact O-N 2.95Å; Y91-M94 HydrophobicContact CD2-CE 3.77Å; Y91-M94 HydrophobicContact CE2-CE 3.67Å; Y91-M94 WeakPolarHBondContact O-CB 3.48Å; Y91-M94 PolarHBondContact O-N 3.36Å; Y91-M94 VanDerWaalsContact O-N 3.14Å; Y91-L95 HydrophobicContact CD1-CD1 4.04Å; Y91-L95 HydrophobicContact CE1-CD1 3.38Å; Y91-L95 HydrophobicContact CE1-CG 4.04Å; Y91-L95 PolarHBondContact O-N 2.69Å; Y91-L95 VanDerWaalsContact O-N 3.07Å
92	D	79.5	Confident	72.3	Confident	66 Å²	66	74.4 Å²	74.4	35%	0.353	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.3	-64.7	-22.1	0	0	0	110.6	R88 M94 L95 D96	R88-D92 VanDerWaalsContact O-CG 3.26Å; R88-D92 PolarHBondContact O-N 3.31Å; D92-M94 VanDerWaalsContact C-N 3.26Å; D92-M94 PolarHBondContact O-N 3.38Å; D92-L95 WeakPolarHBondContact O-CB 3.38Å; D92-L95 PolarHBondContact O-N 3.37Å; D92-L95 VanDerWaalsContact O-N 3.12Å; D92-D96 PolarHBondContact O-N 3.41Å
93	Y	74	Confident	70.6	Confident	83 Å²	83	79.4 Å²	79.4	33%	0.325	42%	0.422	S	S	.	.	H	α-helix	trans	-58.2	-37.3	173.6	179.6	-93.9	0	0	0	112.9	K89 Y91 D96 N97 H112	K89-Y93 WeakPolarHBondContact O-CB 3.22Å; K89-Y93 PolarHBondContact O-N 2.94Å; Y91-Y93 VanDerWaalsContact C-N 3.35Å; Y91-Y93 PolarHBondContact O-N 2.95Å; Y93-D96 PolarHBondContact O-N 3.17Å; Y93-N97 WeakPolarHBondContact CE2-ND2 3.39Å; Y93-N97 WeakPolarHBondContact O-CB 2.91Å; Y93-N97 PolarHBondContact O-N 3.23Å; Y93-N97 VanDerWaalsContact O-N 3.1Å; Y93-N97 PolarHBondContact O-ND2 3.1Å; Y93-H112 AromaticContact CD1-CE1 3.61Å; Y93-H112 AromaticContact CD1-NE2 3.76Å; Y93-H112 AromaticContact CE1-CE1 3.75Å; Y93-H112 AromaticContact CE1-NE2 3.51Å
94	M	70.3	Confident	69.1	Low	70 Å²	70	81.6 Å²	81.6	35%	0.345	44%	0.439	S	S	.	.	H	α-helix	trans	-67.9	-38.6	177.1	-175.2	-170.9	73.7	0	0	111.9	N90 Y91 D92 N97 Y101	N90-M94 PolarHBondContact O-N 3.4Å; N90-M94 VanDerWaalsContact O-N 3.16Å; Y91-M94 HydrophobicContact CD2-CE 3.77Å; Y91-M94 HydrophobicContact CE2-CE 3.67Å; Y91-M94 WeakPolarHBondContact O-CB 3.48Å; Y91-M94 PolarHBondContact O-N 3.36Å; Y91-M94 VanDerWaalsContact O-N 3.14Å; D92-M94 VanDerWaalsContact C-N 3.26Å; D92-M94 PolarHBondContact O-N 3.38Å; M94-N97 CarbonylContact O-C 3.46Å; M94-N97 PolarHBondContact O-N 3.12Å; M94-Y101 HydrophobicContact CG-CD2 4.17Å; M94-Y101 HydrophobicContact CG-CE2 4.46Å; M94-Y101 HydrophobicContact SD-CD2 4.36Å; M94-Y101 HydrophobicContact SD-CE2 4.14Å
95	L	70.8	Confident	67.8	Low	84 Å²	84	86.4 Å²	86.4	44%	0.44	46%	0.463	S	S	.	.	H	α-helix	trans	-66.5	-38.5	175.1	-76.8	173.5	0	0	0	112.1	Y91 D92 N97	Y91-L95 HydrophobicContact CD1-CD1 4.04Å; Y91-L95 HydrophobicContact CE1-CD1 3.38Å; Y91-L95 HydrophobicContact CE1-CG 4.04Å; Y91-L95 PolarHBondContact O-N 2.69Å; Y91-L95 VanDerWaalsContact O-N 3.07Å; D92-L95 WeakPolarHBondContact O-CB 3.38Å; D92-L95 PolarHBondContact O-N 3.37Å; D92-L95 VanDerWaalsContact O-N 3.12Å; L95-N97 VanDerWaalsContact C-N 3.31Å
96	D	77.7	Confident	66.7	Low	126 Å²	126	84.4 Å²	84.4	67%	0.674	46%	0.459	S	S	*	.	H	α-helix	trans	-74.6	-21.6	179.9	-68.3	-20	0	0	0	112.8	D92 Y93 P98	D92-D96 PolarHBondContact O-N 3.41Å; Y93-D96 PolarHBondContact O-N 3.17Å; D96-P98 VanDerWaalsContact C-CD 3.44Å; D96-P98 WeakPolarHBondContact O-CD 3.41Å
97	N	69.1	Low	65.9	Low	63 Å²	63	86.9 Å²	86.9	34%	0.337	48%	0.475	S	S	.	.			trans	-125.1	63.4	-176.5	-60.4	-86.3	0	0	0	112.6	Y93 M94 L95 A99 A100	Y93-N97 WeakPolarHBondContact CE2-ND2 3.39Å; Y93-N97 WeakPolarHBondContact O-CB 2.91Å; Y93-N97 PolarHBondContact O-N 3.23Å; Y93-N97 VanDerWaalsContact O-N 3.1Å; Y93-N97 PolarHBondContact O-ND2 3.1Å; M94-N97 CarbonylContact O-C 3.46Å; M94-N97 PolarHBondContact O-N 3.12Å; L95-N97 VanDerWaalsContact C-N 3.31Å; N97-A99 PolarHBondContact O-N 3.26Å; N97-A100 HydrophobicContact CB-CB 4.23Å; N97-A100 WeakPolarHBondContact O-CB 3.44Å; N97-A100 PolarHBondContact O-N 2.94Å; N97-A100 VanDerWaalsContact O-N 3.13Å
98	P	66.5	Low	65	Low	95 Å²	95	88.4 Å²	88.4	62%	0.617	48%	0.478	S	S	*	.	H	α-helix	trans	-62.1	-29.2	-178.5	24.7	-33.2	0	0	0	112.7	D96 A100 Y101 G102	D96-P98 VanDerWaalsContact C-CD 3.44Å; D96-P98 WeakPolarHBondContact O-CD 3.41Å; P98-A100 VanDerWaalsContact C-N 3.28Å; P98-A100 PolarHBondContact O-N 3.29Å; P98-Y101 PolarHBondContact O-N 2.95Å; P98-G102 PolarHBondContact O-N 3.39Å
99	A	63.1	Low	64.1	Low	88 Å²	88	89 Å²	89	73%	0.727	48%	0.484	S	S	*	.	H	α-helix	trans	-64	-29.2	178.2	0	0	0	0	0	113.5	N97 Y101 G102	N97-A99 PolarHBondContact O-N 3.26Å; A99-Y101 PolarHBondContact O-N 3.48Å; A99-G102 PolarHBondContact O-N 3.13Å
100	A	57.6	Low	63.2	Low	15 Å²	15	91.5 Å²	91.5	12%	0.124	49%	0.492	C	S	.	.	H	α-helix	trans	-67	-26.5	178.7	0	0	0	0	0	112.6	N97 P98 S106 E108	N97-A100 HydrophobicContact CB-CB 4.23Å; N97-A100 WeakPolarHBondContact O-CB 3.44Å; N97-A100 PolarHBondContact O-N 2.94Å; N97-A100 VanDerWaalsContact O-N 3.13Å; P98-A100 VanDerWaalsContact C-N 3.28Å; P98-A100 PolarHBondContact O-N 3.29Å; A100-S106 PolarHBondContact O-OG 3.02Å; A100-E108 HydrophobicContact CB-CB 4.43Å; A100-E108 WeakPolarHBondContact CB-OE2 3.47Å
101	Y	56.4	Low	62.8	Low	132 Å²	132	94 Å²	94	52%	0.518	50%	0.498	S	S	.	.	H	α-helix	trans	-95.3	-19.4	-178.2	-132.8	-93.1	0	0	0	113.3	M94 P98 A99 L103	M94-Y101 HydrophobicContact CG-CD2 4.17Å; M94-Y101 HydrophobicContact CG-CE2 4.46Å; M94-Y101 HydrophobicContact SD-CD2 4.36Å; M94-Y101 HydrophobicContact SD-CE2 4.14Å; P98-Y101 PolarHBondContact O-N 2.95Å; A99-Y101 PolarHBondContact O-N 3.48Å; Y101-L103 PolarHBondContact O-N 3.44Å
102	G	54.7	Low	62.4	Low	62 Å²	62	93.6 Å²	93.6	64%	0.639	50%	0.497	S	S	*	.	S	Bend	trans	-76.9	-13.5	-173.4	0	0	0	0	0	116.1	P98 A99	P98-G102 PolarHBondContact O-N 3.39Å; A99-G102 PolarHBondContact O-N 3.13Å
103	L	48.9	Very low	61.8	Low	130 Å²	130	97 Å²	97	68%	0.681	51%	0.506	S	S	*	.	S	Bend	trans	-109.9	110.4	171.4	-102.5	91.3	0	0	0	109.9	Y101 L105 S106	Y101-L103 PolarHBondContact O-N 3.44Å; L103-L105 PolarHBondContact O-N 3.22Å; L103-S106 PolarHBondContact O-N 2.98Å
104	L	50.5	Low	61.4	Low	171 Å²	171	99 Å²	99	90%	0.895	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	12.6	-179.3	-88.8	154.8	0	0	0	116.7
105	L	52.1	Low	61.3	Low	173 Å²	173	99.8 Å²	99.8	91%	0.906	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.2	12.3	-172.6	-75.1	163.8	0	0	0	114.7	L103	L103-L105 PolarHBondContact O-N 3.22Å
106	S	55.3	Low	61.2	Low	38 Å²	38	101.8 Å²	101.8	27%	0.266	52%	0.516	S	S	.	.			trans	-86.1	144.8	178.9	71.4	0	0	0	0	112.9	A100 L103 E108 V109	A100-S106 PolarHBondContact O-OG 3.02Å; L103-S106 PolarHBondContact O-N 2.98Å; S106-E108 PolarHBondContact O-N 3.19Å; S106-V109 PolarHBondContact O-N 3.09Å
107	D	57.8	Low	60.7	Low	151 Å²	151	101.5 Å²	101.5	81%	0.807	51%	0.506	S	S	*	.	H	α-helix	trans	-50.1	-24.2	174.6	-102.2	-7.7	0	0	0	113.3	R111	D107-R111 WeakPolarHBondContact O-CB 3.41Å; D107-R111 PolarHBondContact O-N 3.26Å
108	E	57.9	Low	60.9	Low	69 Å²	69	104.3 Å²	104.3	32%	0.322	51%	0.512	S	S	.	.	H	α-helix	trans	-72.8	-40.4	-176.5	-67.6	177.4	150.1	0	0	112.4	A100 S106 Y110 R111 H112	A100-E108 HydrophobicContact CB-CB 4.43Å; A100-E108 WeakPolarHBondContact CB-OE2 3.47Å; S106-E108 PolarHBondContact O-N 3.19Å; E108-Y110 VanDerWaalsContact C-N 3.32Å; E108-Y110 PolarHBondContact O-N 3.47Å; E108-R111 WeakPolarHBondContact O-CB 3.41Å; E108-R111 PolarHBondContact O-N 3.39Å; E108-R111 IonicContact OE1-NH2 3.17Å; E108-H112 PolarHBondContact O-CD2 2.69Å; E108-H112 PolarHBondContact O-N 3.2Å
109	V	59.6	Low	60.9	Low	42 Å²	42	103.4 Å²	103.4	26%	0.255	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-42	175.4	-178.9	0	0	0	0	110.3	S106 H112 Y113	S106-V109 PolarHBondContact O-N 3.09Å; V109-H112 PolarHBondContact O-N 3.27Å; V109-Y113 WeakPolarHBondContact O-CB 3.34Å; V109-Y113 PolarHBondContact O-N 3.12Å
110	Y	60.5	Low	61.1	Low	172 Å²	172	106.4 Å²	106.4	68%	0.675	49%	0.492	S	S	*	.	H	α-helix	trans	-66.2	-39.6	178.1	-150.4	-90.8	0	0	0	111.7	E108 Y113 W114	E108-Y110 VanDerWaalsContact C-N 3.32Å; E108-Y110 PolarHBondContact O-N 3.47Å; Y110-Y113 PolarHBondContact O-N 2.84Å; Y110-W114 WeakPolarHBondContact O-CB 3.41Å; Y110-W114 PolarHBondContact O-N 2.99Å
111	R	64.2	Low	61.5	Low	102 Å²	102	109.6 Å²	109.6	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-59.3	-45.7	173.2	-173.5	179.9	68.4	-166.8	-2.6	111.2	D107 E108 W114 Y115	D107-R111 WeakPolarHBondContact O-CB 3.41Å; D107-R111 PolarHBondContact O-N 3.26Å; E108-R111 WeakPolarHBondContact O-CB 3.41Å; E108-R111 PolarHBondContact O-N 3.39Å; E108-R111 IonicContact OE1-NH2 3.17Å; R111-W114 PolarHBondContact O-N 3.04Å; R111-Y115 HydrophobicContact CG-CD2 3.83Å; R111-Y115 HydrophobicContact CG-CE2 3.59Å; R111-Y115 WeakPolarHBondContact O-CD2 3.45Å; R111-Y115 PolarHBondContact O-N 3.36Å
112	H	64.7	Low	61.7	Low	34 Å²	34	106.6 Å²	106.6	16%	0.157	51%	0.505	C	S	.	.	H	α-helix	trans	-69.3	-41.4	178.6	-69.9	-61.7	0	0	0	113.1	Y93 E108 V109 W114 Y115 Y116	Y93-H112 AromaticContact CD1-CE1 3.61Å; Y93-H112 AromaticContact CD1-NE2 3.76Å; Y93-H112 AromaticContact CE1-CE1 3.75Å; Y93-H112 AromaticContact CE1-NE2 3.51Å; E108-H112 PolarHBondContact O-CD2 2.69Å; E108-H112 PolarHBondContact O-N 3.2Å; V109-H112 PolarHBondContact O-N 3.27Å; H112-W114 VanDerWaalsContact C-N 3.29Å; H112-W114 PolarHBondContact O-N 3.32Å; H112-Y115 PolarHBondContact O-N 3.09Å; H112-Y116 WeakPolarHBondContact O-CB 3.48Å; H112-Y116 PolarHBondContact O-N 3.02Å
113	Y	66.5	Low	62.1	Low	137 Å²	137	108 Å²	108	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-44.2	171.6	178.8	-98.1	0	0	0	110.9	V109 Y110 Y116 Y117	V109-Y113 WeakPolarHBondContact O-CB 3.34Å; V109-Y113 PolarHBondContact O-N 3.12Å; Y110-Y113 PolarHBondContact O-N 2.84Å; Y113-Y116 PolarHBondContact O-N 3.42Å; Y113-Y117 HydrophobicContact CE1-CD2 4.31Å; Y113-Y117 AromaticContact CZ-CD2 3.98Å; Y113-Y117 VanDerWaalsContact O-CB 3.31Å; Y113-Y117 WeakPolarHBondContact O-CB 3.23Å; Y113-Y117 PolarHBondContact O-N 3.27Å
114	W	64.8	Low	63.1	Low	124 Å²	124	112.2 Å²	112.2	47%	0.47	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-41.1	176.7	-170.8	88.4	0	0	0	112.3	Y110 R111 H112 Y117 R118	Y110-W114 WeakPolarHBondContact O-CB 3.41Å; Y110-W114 PolarHBondContact O-N 2.99Å; R111-W114 PolarHBondContact O-N 3.04Å; H112-W114 VanDerWaalsContact C-N 3.29Å; H112-W114 PolarHBondContact O-N 3.32Å; W114-Y117 PolarHBondContact O-N 3.06Å; W114-R118 WeakPolarHBondContact O-CB 3.15Å; W114-R118 PolarHBondContact O-N 3.12Å
115	Y	69.2	Low	64.3	Low	87 Å²	87	108.1 Å²	108.1	34%	0.341	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-47.9	173.8	-86.1	-68.8	0	0	0	112.1	R111 H112 Y117 R118 H119	R111-Y115 HydrophobicContact CG-CD2 3.83Å; R111-Y115 HydrophobicContact CG-CE2 3.59Å; R111-Y115 WeakPolarHBondContact O-CD2 3.45Å; R111-Y115 PolarHBondContact O-N 3.36Å; H112-Y115 PolarHBondContact O-N 3.09Å; Y115-Y117 VanDerWaalsContact C-N 3.34Å; Y115-Y117 PolarHBondContact O-N 3.35Å; Y115-R118 WeakPolarHBondContact O-CB 3.41Å; Y115-R118 PolarHBondContact O-N 3.35Å; Y115-H119 PolarHBondContact O-CD2 3.2Å; Y115-H119 PolarHBondContact O-N 3.02Å
116	Y	68.1	Low	65.6	Low	127 Å²	127	103 Å²	103	50%	0.498	47%	0.471	S	S	.	.	H	α-helix	trans	-57.8	-46.3	175.8	170.2	-98.2	0	0	0	111.8	H112 Y113 H119 R120	H112-Y116 WeakPolarHBondContact O-CB 3.48Å; H112-Y116 PolarHBondContact O-N 3.02Å; Y113-Y116 PolarHBondContact O-N 3.42Å; Y116-H119 PolarHBondContact O-N 3.31Å; Y116-R120 HydrophobicContact CE2-CG 4.36Å; Y116-R120 PolarHBondContact O-N 3.16Å; Y116-R120 VanDerWaalsContact O-N 3.08Å; Y116-R120 WeakPolarHBondContact OH-CD 3.06Å; Y116-R120 PolarHBondContact OH-NH1 3.41Å
117	Y	68	Low	66.8	Low	119 Å²	119	105.2 Å²	105.2	47%	0.467	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-38.2	178	-148.9	-89.1	0	0	0	111.6	Y113 W114 Y115 R120 V121	Y113-Y117 HydrophobicContact CE1-CD2 4.31Å; Y113-Y117 AromaticContact CZ-CD2 3.98Å; Y113-Y117 VanDerWaalsContact O-CB 3.31Å; Y113-Y117 WeakPolarHBondContact O-CB 3.23Å; Y113-Y117 PolarHBondContact O-N 3.27Å; W114-Y117 PolarHBondContact O-N 3.06Å; Y115-Y117 VanDerWaalsContact C-N 3.34Å; Y115-Y117 PolarHBondContact O-N 3.35Å; Y117-R120 PolarHBondContact O-N 3.06Å; Y117-V121 HydrophobicContact CD1-CB 3.82Å; Y117-V121 HydrophobicContact CD1-CG1 4.37Å; Y117-V121 HydrophobicContact CD1-CG2 3.67Å; Y117-V121 HydrophobicContact CD2-CG2 4.29Å; Y117-V121 HydrophobicContact CE1-CB 3.75Å; Y117-V121 HydrophobicContact CE1-CG1 3.81Å; Y117-V121 HydrophobicContact CE1-CG2 3.56Å; Y117-V121 HydrophobicContact CE2-CG2 4.2Å; Y117-V121 HydrophobicContact CG-CG2 4.04Å; Y117-V121 WeakPolarHBondContact O-CA 3.28Å; Y117-V121 VanDerWaalsContact O-CB 3.27Å; Y117-V121 WeakPolarHBondContact O-CB 3.41Å; Y117-V121 WeakPolarHBondContact O-CG2 3.31Å; Y117-V121 PolarHBondContact O-N 3.22Å
118	R	71.7	Confident	68.2	Low	122 Å²	122	106.5 Å²	106.5	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-48.4	174.7	-174.5	-177.8	175.8	96.6	-0.7	110.2	W114 Y115 R120 T122	W114-R118 WeakPolarHBondContact O-CB 3.15Å; W114-R118 PolarHBondContact O-N 3.12Å; Y115-R118 WeakPolarHBondContact O-CB 3.41Å; Y115-R118 PolarHBondContact O-N 3.35Å; R118-R120 PolarHBondContact O-N 2.79Å; R118-T122 HydrophobicContact CB-CG2 4.3Å; R118-T122 HydrophobicContact CG-CG2 3.6Å; R118-T122 WeakPolarHBondContact O-CB 3.48Å; R118-T122 VanDerWaalsContact O-CG2 3.23Å; R118-T122 WeakPolarHBondContact O-CG2 3.45Å; R118-T122 PolarHBondContact O-N 3.15Å; R118-T122 PolarHBondContact O-OG1 3.48Å
119	H	66.5	Low	69.5	Low	76 Å²	76	108.3 Å²	108.3	35%	0.352	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-35.6	-179.6	-75	-64.5	0	0	0	113.7	E86 Y115 Y116	E86-H119 IonicContact OE1-CE1 3.64Å; E86-H119 PolarHBondContact OE1-CE1 3.5Å; E86-H119 IonicContact OE1-NE2 3.51Å; E86-H119 IonicContact OE2-CE1 2.64Å; E86-H119 PolarHBondContact OE2-CE1 3.28Å; E86-H119 IonicContact OE2-NE2 3.52Å; Y115-H119 PolarHBondContact O-CD2 3.2Å; Y115-H119 PolarHBondContact O-N 3.02Å; Y116-H119 PolarHBondContact O-N 3.31Å
120	R	68.1	Low	70.8	Confident	151 Å²	151	109.6 Å²	109.6	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-84.6	-34.1	-179.3	-76.6	-163.2	163.9	-163.5	-12.4	114.5	E80 Y116 Y117 R118	E80-R120 IonicContact OE2-NH2 3.96Å; Y116-R120 HydrophobicContact CE2-CG 4.36Å; Y116-R120 PolarHBondContact O-N 3.16Å; Y116-R120 VanDerWaalsContact O-N 3.08Å; Y116-R120 WeakPolarHBondContact OH-CD 3.06Å; Y116-R120 PolarHBondContact OH-NH1 3.41Å; Y117-R120 PolarHBondContact O-N 3.06Å; R118-R120 PolarHBondContact O-N 2.79Å
121	V	65.4	Low	72.2	Confident	83 Å²	83	106 Å²	106	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-112.9	-14.9	-166.7	-165.6	0	0	0	0	112.9	Y117	Y117-V121 HydrophobicContact CD1-CB 3.82Å; Y117-V121 HydrophobicContact CD1-CG1 4.37Å; Y117-V121 HydrophobicContact CD1-CG2 3.67Å; Y117-V121 HydrophobicContact CD2-CG2 4.29Å; Y117-V121 HydrophobicContact CE1-CB 3.75Å; Y117-V121 HydrophobicContact CE1-CG1 3.81Å; Y117-V121 HydrophobicContact CE1-CG2 3.56Å; Y117-V121 HydrophobicContact CE2-CG2 4.2Å; Y117-V121 HydrophobicContact CG-CG2 4.04Å; Y117-V121 WeakPolarHBondContact O-CA 3.28Å; Y117-V121 VanDerWaalsContact O-CB 3.27Å; Y117-V121 WeakPolarHBondContact O-CB 3.41Å; Y117-V121 WeakPolarHBondContact O-CG2 3.31Å; Y117-V121 PolarHBondContact O-N 3.22Å
122	T	60.8	Low	73.4	Confident	69 Å²	69	105.5 Å²	105.5	42%	0.423	49%	0.494	S	S	.	.	S	Bend	trans	-65.3	134.9	175.9	53	0	0	0	0	111.4	R118 K124	R118-T122 HydrophobicContact CB-CG2 4.3Å; R118-T122 HydrophobicContact CG-CG2 3.6Å; R118-T122 WeakPolarHBondContact O-CB 3.48Å; R118-T122 VanDerWaalsContact O-CG2 3.23Å; R118-T122 WeakPolarHBondContact O-CG2 3.45Å; R118-T122 PolarHBondContact O-N 3.15Å; R118-T122 PolarHBondContact O-OG1 3.48Å; T122-K124 PolarHBondContact O-N 3.37Å
123	P	63.9	Low	74.6	Confident	90 Å²	90	106.6 Å²	106.6	58%	0.584	51%	0.51	S	S	*	.			trans	-59.8	130.6	173	23.8	-30.8	0	0	0	108.9	V125 V127	P123-V125 PolarHBondContact O-N 3.35Å; P123-V125 VanDerWaalsContact O-N 3.08Å; P123-V127 HydrophobicContact CG-CG2 4.43Å
124	K	69.4	Low	75.9	Confident	220 Å²	220	104 Å²	104	96%	0.957	50%	0.504	S	S	*	.	S	Bend	trans	-62.6	-13.4	176.2	-64.1	-175.1	179.1	-178.3	0	113.1	T122	T122-K124 PolarHBondContact O-N 3.37Å
125	V	75.9	Confident	77.2	Confident	85 Å²	85	99.6 Å²	99.6	52%	0.515	49%	0.491	S	S	.	.	S	Bend	trans	-92.4	129.9	176.5	-173.8	0	0	0	0	109.1	P123 V127 V130	P123-V125 PolarHBondContact O-N 3.35Å; P123-V125 VanDerWaalsContact O-N 3.08Å; V125-V127 PolarHBondContact O-N 3.3Å; V125-V130 HydrophobicContact CG1-CG2 4.28Å
126	D	78.9	Confident	78.3	Confident	64 Å²	64	99 Å²	99	34%	0.342	50%	0.496	S	S	.	.			trans	-58	120.3	175.2	-169.7	-28.9	0	0	0	110.8	R128 I129	D126-R128 PolarHBondContact O-N 2.99Å; D126-R128 VanDerWaalsContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CB 2.99Å; D126-R128 VanDerWaalsContact OD1-CG 3.26Å; D126-R128 WeakPolarHBondContact OD1-CG 2.96Å; D126-R128 PolarHBondContact OD1-N 3.34Å; D126-R128 IonicContact OD1-NE 3.74Å; D126-R128 PolarHBondContact OD1-NE 3.17Å; D126-R128 IonicContact OD2-CZ 3.86Å; D126-R128 IonicContact OD2-NE 3.59Å; D126-R128 PolarHBondContact OD2-NE 3.04Å; D126-R128 IonicContact OD2-NH2 3.88Å; D126-R128 PolarHBondContact OD2-NH2 3.38Å; D126-I129 HydrophobicContact CB-CD1 4.01Å; D126-I129 HydrophobicContact CB-CG1 4.19Å; D126-I129 WeakPolarHBondContact O-CB 3.27Å; D126-I129 PolarHBondContact O-N 3.49Å
127	V	81.6	Confident	79.5	Confident	85 Å²	85	98.7 Å²	98.7	52%	0.515	50%	0.501	S	S	.	.	H	α-helix	trans	-54.7	-29.1	-178.5	-177.4	0	0	0	0	111.6	P123 V125 I129 V130 I131	P123-V127 HydrophobicContact CG-CG2 4.43Å; V125-V127 PolarHBondContact O-N 3.3Å; V127-I129 VanDerWaalsContact C-N 3.31Å; V127-I129 PolarHBondContact O-N 1.97Å; V127-V130 WeakPolarHBondContact O-CB 3.27Å; V127-V130 PolarHBondContact O-N 2.95Å; V127-I131 HydrophobicContact CG1-CD1 4.07Å; V127-I131 HydrophobicContact CG1-CG1 4.41Å; V127-I131 WeakPolarHBondContact O-CG1 3.21Å; V127-I131 PolarHBondContact O-N 3.27Å
128	R	85.9	Confident	80.7	Confident	178 Å²	178	96.2 Å²	96.2	67%	0.672	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-39	177.3	-62.6	178.3	-70.9	-177.5	-0.1	112.3	D126 V130 I131 V132	D126-R128 PolarHBondContact O-N 2.99Å; D126-R128 VanDerWaalsContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CB 2.99Å; D126-R128 VanDerWaalsContact OD1-CG 3.26Å; D126-R128 WeakPolarHBondContact OD1-CG 2.96Å; D126-R128 PolarHBondContact OD1-N 3.34Å; D126-R128 IonicContact OD1-NE 3.74Å; D126-R128 PolarHBondContact OD1-NE 3.17Å; D126-R128 IonicContact OD2-CZ 3.86Å; D126-R128 IonicContact OD2-NE 3.59Å; D126-R128 PolarHBondContact OD2-NE 3.04Å; D126-R128 IonicContact OD2-NH2 3.88Å; D126-R128 PolarHBondContact OD2-NH2 3.38Å; R128-V130 VanDerWaalsContact C-N 3.33Å; R128-I131 PolarHBondContact O-N 3.43Å; R128-V132 WeakPolarHBondContact O-CG2 3.46Å; R128-V132 PolarHBondContact O-N 3.11Å
129	I	87	Confident	81.7	Confident	107 Å²	107	90.9 Å²	90.9	55%	0.549	48%	0.476	S	S	.	.	H	α-helix	trans	-65.7	-41.8	179	-60.7	172.5	0	0	0	109.9	D126 V127 V132 A133	D126-I129 HydrophobicContact CB-CD1 4.01Å; D126-I129 HydrophobicContact CB-CG1 4.19Å; D126-I129 WeakPolarHBondContact O-CB 3.27Å; D126-I129 PolarHBondContact O-N 3.49Å; V127-I129 VanDerWaalsContact C-N 3.31Å; V127-I129 PolarHBondContact O-N 1.97Å; I129-V132 PolarHBondContact O-N 2.94Å; I129-A133 WeakPolarHBondContact O-CB 3.36Å; I129-A133 PolarHBondContact O-N 3.3Å
130	V	86	Confident	83	Confident	70 Å²	70	91.3 Å²	91.3	42%	0.424	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-43.9	177.5	-176.8	0	0	0	0	110.7	V125 V127 R128 A133 I134	V125-V130 HydrophobicContact CG1-CG2 4.28Å; V127-V130 WeakPolarHBondContact O-CB 3.27Å; V127-V130 PolarHBondContact O-N 2.95Å; R128-V130 VanDerWaalsContact C-N 3.33Å; V130-A133 PolarHBondContact O-N 3.37Å; V130-I134 HydrophobicContact CG1-CD1 3.91Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.18Å; V130-I134 PolarHBondContact O-N 2.88Å
131	I	89	Confident	84.1	Confident	95 Å²	95	88.5 Å²	88.5	49%	0.487	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-47.1	176.9	-66.9	167.3	0	0	0	111	V127 R128 A133 I134 V135	V127-I131 HydrophobicContact CG1-CD1 4.07Å; V127-I131 HydrophobicContact CG1-CG1 4.41Å; V127-I131 WeakPolarHBondContact O-CG1 3.21Å; V127-I131 PolarHBondContact O-N 3.27Å; R128-I131 PolarHBondContact O-N 3.43Å; I131-A133 VanDerWaalsContact C-N 3.35Å; I131-A133 PolarHBondContact O-N 3.42Å; I131-I134 PolarHBondContact O-N 2.9Å; I131-V135 HydrophobicContact CG2-CG2 4.43Å; I131-V135 WeakPolarHBondContact O-CG2 2.64Å; I131-V135 PolarHBondContact O-N 2.78Å
132	V	90.9	Very high	85.3	Confident	92 Å²	92	88.2 Å²	88.2	56%	0.558	48%	0.476	S	S	*	.	H	α-helix	trans	-60.7	-44.3	177.9	172.1	0	0	0	0	111.1	R128 I129 I134 V135 V136	R128-V132 WeakPolarHBondContact O-CG2 3.46Å; R128-V132 PolarHBondContact O-N 3.11Å; I129-V132 PolarHBondContact O-N 2.94Å; V132-I134 VanDerWaalsContact C-N 3.34Å; V132-I134 PolarHBondContact O-N 2.97Å; V132-V135 PolarHBondContact O-N 2.95Å; V132-V136 HydrophobicContact CG1-CG2 4.39Å; V132-V136 WeakPolarHBondContact O-CG2 3.28Å; V132-V136 PolarHBondContact O-N 3.24Å
133	A	89.6	Confident	86.8	Confident	58 Å²	58	88.6 Å²	88.6	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-42	177.8	0	0	0	0	0	112.2	I129 V130 I131 V136 M137	I129-A133 WeakPolarHBondContact O-CB 3.36Å; I129-A133 PolarHBondContact O-N 3.3Å; V130-A133 PolarHBondContact O-N 3.37Å; I131-A133 VanDerWaalsContact C-N 3.35Å; I131-A133 PolarHBondContact O-N 3.42Å; A133-V136 PolarHBondContact O-N 3.44Å; A133-M137 WeakPolarHBondContact O-CB 3.3Å; A133-M137 PolarHBondContact O-N 2.86Å
134	I	93	Very high	88	Confident	82 Å²	82	87.4 Å²	87.4	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-45.4	175.8	-68.4	166.7	0	0	0	110.9	V130 I131 V132 V136 M137 I138	V130-I134 HydrophobicContact CG1-CD1 3.91Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.18Å; V130-I134 PolarHBondContact O-N 2.88Å; I131-I134 PolarHBondContact O-N 2.9Å; V132-I134 VanDerWaalsContact C-N 3.34Å; V132-I134 PolarHBondContact O-N 2.97Å; I134-V136 VanDerWaalsContact C-N 3.34Å; I134-V136 PolarHBondContact O-N 3.06Å; I134-M137 PolarHBondContact O-N 3.43Å; I134-I138 HydrophobicContact CG2-CD1 3.72Å; I134-I138 HydrophobicContact CG2-CG1 4.37Å; I134-I138 VanDerWaalsContact O-CG1 3.3Å; I134-I138 WeakPolarHBondContact O-CG1 3.38Å; I134-I138 PolarHBondContact O-N 3.45Å
135	V	92.7	Very high	89	Confident	31 Å²	31	79.3 Å²	79.3	19%	0.188	43%	0.433	C	S	.	.	H	α-helix	trans	-61.9	-41.5	178.8	169.3	0	0	0	0	111.6	I131 V132 S139 L226 A227 I230	I131-V135 HydrophobicContact CG2-CG2 4.43Å; I131-V135 WeakPolarHBondContact O-CG2 2.64Å; I131-V135 PolarHBondContact O-N 2.78Å; V132-V135 PolarHBondContact O-N 2.95Å; V135-S139 WeakPolarHBondContact O-CB 3.18Å; V135-S139 PolarHBondContact O-N 3.02Å; V135-S139 PolarHBondContact O-OG 3.35Å; V135-L226 HydrophobicContact CG1-CG 4.49Å; V135-A227 HydrophobicContact CG1-CB 4.08Å; V135-I230 HydrophobicContact CG1-CD1 3.78Å; V135-I230 HydrophobicContact CG2-CD1 4.23Å
136	V	92.2	Very high	89.4	Confident	75 Å²	75	77.9 Å²	77.9	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.4	172	0	0	0	0	110.5	V132 A133 I134 I138 S139 V140	V132-V136 HydrophobicContact CG1-CG2 4.39Å; V132-V136 WeakPolarHBondContact O-CG2 3.28Å; V132-V136 PolarHBondContact O-N 3.24Å; A133-V136 PolarHBondContact O-N 3.44Å; I134-V136 VanDerWaalsContact C-N 3.34Å; I134-V136 PolarHBondContact O-N 3.06Å; V136-I138 PolarHBondContact O-N 3.49Å; V136-S139 WeakPolarHBondContact O-CB 3.34Å; V136-S139 PolarHBondContact O-N 3.31Å; V136-S139 VanDerWaalsContact O-N 3.13Å; V136-V140 WeakPolarHBondContact O-CG2 3.38Å; V136-V140 PolarHBondContact O-N 3.33Å
137	M	92.8	Very high	89.7	Confident	120 Å²	120	79.1 Å²	79.1	59%	0.591	43%	0.426	S	S	*	.	H	α-helix	trans	-58.2	-47.9	177.6	-172	-140	-64.9	0	0	111.5	A133 I134 S139 V140 V141	A133-M137 WeakPolarHBondContact O-CB 3.3Å; A133-M137 PolarHBondContact O-N 2.86Å; I134-M137 PolarHBondContact O-N 3.43Å; M137-S139 VanDerWaalsContact C-N 3.29Å; M137-S139 PolarHBondContact O-N 3.43Å; M137-V140 PolarHBondContact O-N 3.22Å; M137-V141 WeakPolarHBondContact O-CG2 3.43Å; M137-V141 PolarHBondContact O-N 3.35Å
138	I	94	Very high	90	Very high	68 Å²	68	80 Å²	80	35%	0.349	42%	0.424	S	S	.	.	H	α-helix	trans	-60.1	-41.7	176.6	-68.1	168.3	0	0	0	110.7	I134 V136 V140 V141 Q142 L226	I134-I138 HydrophobicContact CG2-CD1 3.72Å; I134-I138 HydrophobicContact CG2-CG1 4.37Å; I134-I138 VanDerWaalsContact O-CG1 3.3Å; I134-I138 WeakPolarHBondContact O-CG1 3.38Å; I134-I138 PolarHBondContact O-N 3.45Å; V136-I138 PolarHBondContact O-N 3.49Å; I138-V140 PolarHBondContact O-N 2.95Å; I138-V141 PolarHBondContact O-N 2.94Å; I138-Q142 HydrophobicContact CG2-CG 4.24Å; I138-Q142 WeakPolarHBondContact O-CB 3.38Å; I138-Q142 VanDerWaalsContact O-CG 3.27Å; I138-Q142 WeakPolarHBondContact O-CG 3.35Å; I138-Q142 PolarHBondContact O-N 3.25Å; I138-L226 HydrophobicContact CB-CD2 4.45Å; I138-L226 HydrophobicContact CG2-CD2 3.89Å
139	S	93.1	Very high	89.8	Confident	9 Å²	9	76.6 Å²	76.6	6%	0.063	42%	0.415	C	S	.	.	H	α-helix	trans	-64.4	-39.2	179.9	-60.7	0	0	0	0	112.5	V135 V136 M137 Q142 Y143 A227	V135-S139 WeakPolarHBondContact O-CB 3.18Å; V135-S139 PolarHBondContact O-N 3.02Å; V135-S139 PolarHBondContact O-OG 3.35Å; V136-S139 WeakPolarHBondContact O-CB 3.34Å; V136-S139 PolarHBondContact O-N 3.31Å; V136-S139 VanDerWaalsContact O-N 3.13Å; M137-S139 VanDerWaalsContact C-N 3.29Å; M137-S139 PolarHBondContact O-N 3.43Å; S139-Q142 PolarHBondContact O-N 2.94Å; S139-Y143 WeakPolarHBondContact O-CB 3.26Å; S139-Y143 PolarHBondContact O-N 3.01Å; S139-A227 VanDerWaalsContact OG-CB 3.26Å; S139-A227 WeakPolarHBondContact OG-CB 3.36Å; S139-A227 PolarHBondContact OG-N 2.99Å
140	V	92.2	Very high	89.7	Confident	85 Å²	85	72.2 Å²	72.2	52%	0.515	39%	0.391	S	S	.	.	H	α-helix	trans	-64.6	-47.9	174.2	172.9	0	0	0	0	110.5	V136 M137 I138 Q142 Y143 V144	V136-V140 WeakPolarHBondContact O-CG2 3.38Å; V136-V140 PolarHBondContact O-N 3.33Å; M137-V140 PolarHBondContact O-N 3.22Å; I138-V140 PolarHBondContact O-N 2.95Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.42Å; V140-Y143 PolarHBondContact O-N 2.72Å; V140-V144 HydrophobicContact CG1-CG2 4.37Å; V140-V144 WeakPolarHBondContact O-CG2 3.35Å; V140-V144 PolarHBondContact O-N 2.89Å
141	V	92.2	Very high	89.6	Confident	92 Å²	92	73.3 Å²	73.3	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-60.6	-42	177.9	173	0	0	0	0	111.3	M137 I138 S145	M137-V141 WeakPolarHBondContact O-CG2 3.43Å; M137-V141 PolarHBondContact O-N 3.35Å; I138-V141 PolarHBondContact O-N 2.94Å; V141-S145 VanDerWaalsContact O-CB 3.22Å; V141-S145 WeakPolarHBondContact O-CB 3.49Å; V141-S145 PolarHBondContact O-N 3.31Å
142	Q	90.5	Very high	89.3	Confident	77 Å²	77	73.8 Å²	73.8	36%	0.36	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-46.5	175.1	-78.1	177.8	-19.5	0	0	111.9	I138 S139 V140 S145 S146 L226	I138-Q142 HydrophobicContact CG2-CG 4.24Å; I138-Q142 WeakPolarHBondContact O-CB 3.38Å; I138-Q142 VanDerWaalsContact O-CG 3.27Å; I138-Q142 WeakPolarHBondContact O-CG 3.35Å; I138-Q142 PolarHBondContact O-N 3.25Å; S139-Q142 PolarHBondContact O-N 2.94Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.42Å; Q142-S145 PolarHBondContact O-N 3.46Å; Q142-S146 WeakPolarHBondContact O-CB 3.49Å; Q142-S146 PolarHBondContact O-N 3.28Å; Q142-S146 PolarHBondContact O-OG 3.46Å; Q142-S146 VanDerWaalsContact O-OG 3.07Å; Q142-L226 VanDerWaalsContact OE1-CB 3.3Å; Q142-L226 VanDerWaalsContact OE1-N 3.1Å
143	Y	91.2	Very high	88.8	Confident	77 Å²	77	69.9 Å²	69.9	30%	0.302	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-47.3	179.3	-174.8	-95.9	0	0	0	111.7	S139 V140 S145 S146 W147 P220 I222 T225	S139-Y143 WeakPolarHBondContact O-CB 3.26Å; S139-Y143 PolarHBondContact O-N 3.01Å; V140-Y143 PolarHBondContact O-N 2.72Å; Y143-S145 PolarHBondContact O-N 3.35Å; Y143-S146 PolarHBondContact O-N 2.78Å; Y143-W147 PolarHBondContact O-N 3.48Å; Y143-P220 HydrophobicContact CD2-CB 4.14Å; Y143-P220 HydrophobicContact CE2-CB 3.83Å; Y143-P220 HydrophobicContact CE2-CG 4.34Å; Y143-I222 HydrophobicContact CE2-CG1 4.06Å; Y143-T225 HydrophobicContact CD2-CG2 4.26Å
144	V	90.9	Very high	88.4	Confident	66 Å²	66	67.7 Å²	67.7	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-43.1	177.4	174.2	0	0	0	0	110.9	V140 S146 W147 H148	V140-V144 HydrophobicContact CG1-CG2 4.37Å; V140-V144 WeakPolarHBondContact O-CG2 3.35Å; V140-V144 PolarHBondContact O-N 2.89Å; V144-S146 PolarHBondContact O-N 2.96Å; V144-W147 WeakPolarHBondContact O-CB 3.47Å; V144-W147 PolarHBondContact O-N 3.29Å; V144-H148 VanDerWaalsContact CG1-CE1 3.43Å; V144-H148 WeakPolarHBondContact CG1-CE1 3.37Å; V144-H148 PolarHBondContact O-N 2.97Å; V144-H148 PolarHBondContact O-ND1 2.84Å
145	S	89	Confident	88	Confident	50 Å²	50	70.9 Å²	70.9	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-42.7	176.9	-178.6	0	0	0	0	112.1	V141 Q142 Y143 W147 H148 K149	V141-S145 VanDerWaalsContact O-CB 3.22Å; V141-S145 WeakPolarHBondContact O-CB 3.49Å; V141-S145 PolarHBondContact O-N 3.31Å; Q142-S145 PolarHBondContact O-N 3.46Å; Y143-S145 PolarHBondContact O-N 3.35Å; S145-W147 VanDerWaalsContact C-N 3.31Å; S145-W147 PolarHBondContact O-N 2.9Å; S145-H148 PolarHBondContact O-N 3.2Å; S145-K149 WeakPolarHBondContact O-CG 3.45Å; S145-K149 PolarHBondContact O-N 3.22Å
146	S	84.2	Confident	87.4	Confident	54 Å²	54	74.4 Å²	74.4	38%	0.378	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-35.4	175.8	-64.9	0	0	0	0	112.3	Q142 Y143 V144 Y150	Q142-S146 WeakPolarHBondContact O-CB 3.49Å; Q142-S146 PolarHBondContact O-N 3.28Å; Q142-S146 PolarHBondContact O-OG 3.46Å; Q142-S146 VanDerWaalsContact O-OG 3.07Å; Y143-S146 PolarHBondContact O-N 2.78Å; V144-S146 PolarHBondContact O-N 2.96Å; S146-Y150 WeakPolarHBondContact O-CB 3.49Å; S146-Y150 PolarHBondContact O-N 3.44Å
147	W	86.6	Confident	86.7	Confident	90 Å²	90	71 Å²	71	34%	0.341	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-49.3	173.1	-170.6	-82.3	0	0	0	112.2	Y143 V144 S145 K149 Y150 E151 P220	Y143-W147 PolarHBondContact O-N 3.48Å; V144-W147 WeakPolarHBondContact O-CB 3.47Å; V144-W147 PolarHBondContact O-N 3.29Å; S145-W147 VanDerWaalsContact C-N 3.31Å; S145-W147 PolarHBondContact O-N 2.9Å; W147-K149 VanDerWaalsContact C-N 3.34Å; W147-K149 PolarHBondContact O-N 3.24Å; W147-Y150 PolarHBondContact O-N 2.97Å; W147-E151 PolarHBondContact NE1-OE1 2.87Å; W147-E151 PolarHBondContact O-N 3.47Å; W147-P220 HydrophobicContact CB-CG 4.09Å; W147-P220 HydrophobicContact CD2-CG 4.09Å; W147-P220 HydrophobicContact CE3-CG 3.28Å; W147-P220 HydrophobicContact CG-CG 4.48Å; W147-P220 HydrophobicContact CZ3-CG 3.94Å
148	H	87.5	Confident	86.2	Confident	103 Å²	103	66.3 Å²	66.3	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-44.8	178	-75.1	77.9	0	0	0	111.6	V144 S145 Y150 E151 D152	V144-H148 VanDerWaalsContact CG1-CE1 3.43Å; V144-H148 WeakPolarHBondContact CG1-CE1 3.37Å; V144-H148 PolarHBondContact O-N 2.97Å; V144-H148 PolarHBondContact O-ND1 2.84Å; S145-H148 PolarHBondContact O-N 3.2Å; H148-Y150 VanDerWaalsContact C-N 3.33Å; H148-Y150 PolarHBondContact O-N 3.08Å; H148-E151 PolarHBondContact O-N 3.04Å; H148-D152 WeakPolarHBondContact O-CB 3.44Å; H148-D152 PolarHBondContact O-N 2.97Å
149	K	81.9	Confident	85.6	Confident	108 Å²	108	66.9 Å²	66.9	47%	0.47	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-41.7	176.7	-71.2	173.2	-176.7	178	0	112.6	S145 W147 A153 Y217	S145-K149 WeakPolarHBondContact O-CG 3.45Å; S145-K149 PolarHBondContact O-N 3.22Å; W147-K149 VanDerWaalsContact C-N 3.34Å; W147-K149 PolarHBondContact O-N 3.24Å; K149-A153 WeakPolarHBondContact O-CB 3.46Å; K149-A153 PolarHBondContact O-N 2.64Å; K149-Y217 HydrophobicContact CB-CD1 4.06Å; K149-Y217 HydrophobicContact CB-CE1 4.02Å; K149-Y217 HydrophobicContact CD-CE1 4.37Å
150	Y	83.5	Confident	85.1	Confident	14 Å²	14	69 Å²	69	6%	0.055	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-44	176.6	176.7	-99.9	0	0	0	111.6	S146 W147 H148 A153 V154 A208 D209 K219	S146-Y150 WeakPolarHBondContact O-CB 3.49Å; S146-Y150 PolarHBondContact O-N 3.44Å; W147-Y150 PolarHBondContact O-N 2.97Å; H148-Y150 VanDerWaalsContact C-N 3.33Å; H148-Y150 PolarHBondContact O-N 3.08Å; Y150-A153 PolarHBondContact O-N 2.91Å; Y150-V154 HydrophobicContact CD1-CG2 4.43Å; Y150-V154 HydrophobicContact CE1-CG2 4.08Å; Y150-V154 HydrophobicContact CE2-CG2 4.38Å; Y150-V154 WeakPolarHBondContact O-CG2 3.49Å; Y150-V154 PolarHBondContact O-N 3.07Å; Y150-A208 HydrophobicContact CE2-CB 4.24Å; Y150-D209 WeakPolarHBondContact CE2-OD1 3.2Å; Y150-D209 PolarHBondContact OH-OD1 3.32Å; Y150-K219 HydrophobicContact CE2-CB 4.13Å
151	E	83.9	Confident	84.7	Confident	94 Å²	94	68.1 Å²	68.1	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.8	-75.6	-167.9	162.3	0	0	112.9	W147 H148 A153 V154 K155	W147-E151 PolarHBondContact NE1-OE1 2.87Å; W147-E151 PolarHBondContact O-N 3.47Å; H148-E151 PolarHBondContact O-N 3.04Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 2.85Å; E151-V154 PolarHBondContact O-N 2.91Å; E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 PolarHBondContact O-N 2.97Å
152	D	83.4	Confident	84.2	Confident	104 Å²	104	70.2 Å²	70.2	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-61.5	-41.4	176	-75.5	-25.7	0	0	0	111.4	H148 K155 Y156	H148-D152 WeakPolarHBondContact O-CB 3.44Å; H148-D152 PolarHBondContact O-N 2.97Å; D152-K155 PolarHBondContact O-N 2.96Å; D152-Y156 WeakPolarHBondContact O-CB 3.38Å; D152-Y156 PolarHBondContact O-N 3.5Å
153	A	81	Confident	83.7	Confident	11 Å²	11	68.2 Å²	68.2	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-45.7	174.6	0	0	0	0	0	112	K149 Y150 E151 K155 Y156 M157 L214 Y217	K149-A153 WeakPolarHBondContact O-CB 3.46Å; K149-A153 PolarHBondContact O-N 2.64Å; Y150-A153 PolarHBondContact O-N 2.91Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 2.85Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 3.41Å; A153-Y156 PolarHBondContact O-N 3.04Å; A153-M157 PolarHBondContact O-N 3.4Å; A153-L214 HydrophobicContact CB-CD2 4.41Å; A153-Y217 HydrophobicContact CB-CD2 4.1Å; A153-Y217 HydrophobicContact CB-CG 4.23Å
154	V	81.4	Confident	83.3	Confident	11 Å²	11	68.7 Å²	68.7	7%	0.067	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-41.4	176.3	171.5	0	0	0	0	111.4	Y150 E151 M157 S158 I204 K205 A208	Y150-V154 HydrophobicContact CD1-CG2 4.43Å; Y150-V154 HydrophobicContact CE1-CG2 4.08Å; Y150-V154 HydrophobicContact CE2-CG2 4.38Å; Y150-V154 WeakPolarHBondContact O-CG2 3.49Å; Y150-V154 PolarHBondContact O-N 3.07Å; E151-V154 PolarHBondContact O-N 2.91Å; V154-M157 HydrophobicContact CB-CE 4.44Å; V154-M157 HydrophobicContact CG2-CE 4.07Å; V154-M157 PolarHBondContact O-N 3.05Å; V154-S158 WeakPolarHBondContact O-CB 3.4Å; V154-S158 PolarHBondContact O-N 3.44Å; V154-I204 HydrophobicContact CG1-CG2 4.37Å; V154-K205 HydrophobicContact CG1-CG 3.89Å; V154-K205 HydrophobicContact CG2-CG 4.08Å; V154-A208 HydrophobicContact CG2-CB 4.18Å
155	K	83.5	Confident	83	Confident	149 Å²	149	70.1 Å²	70.1	65%	0.648	35%	0.351	S	S	*	.	H	α-helix	trans	-62.8	-45.8	176.4	-173	179.6	179.2	-176.6	0	110.9	E151 D152 A153 M157 S158 S159	E151-K155 WeakPolarHBondContact O-CB 3.37Å; E151-K155 PolarHBondContact O-N 2.97Å; D152-K155 PolarHBondContact O-N 2.96Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 3.41Å; K155-M157 PolarHBondContact O-N 3.47Å; K155-S158 PolarHBondContact O-N 3.43Å; K155-S158 PolarHBondContact O-OG 3.41Å; K155-S159 PolarHBondContact O-N 3Å; K155-S159 VanDerWaalsContact O-N 3.09Å
156	Y	81.8	Confident	82.7	Confident	106 Å²	106	73.9 Å²	73.9	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-47.6	175.2	178.9	-101.5	0	0	0	112.1	D152 A153 S158 S159 Q160 L214	D152-Y156 WeakPolarHBondContact O-CB 3.38Å; D152-Y156 PolarHBondContact O-N 3.5Å; A153-Y156 PolarHBondContact O-N 3.04Å; Y156-S158 VanDerWaalsContact C-N 3.31Å; Y156-S158 PolarHBondContact O-N 3.35Å; Y156-S159 WeakPolarHBondContact O-CB 3.37Å; Y156-S159 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-OG 3.1Å; Y156-Q160 HydrophobicContact CE1-CG 4.2Å; Y156-Q160 HydrophobicContact CE2-CG 4.44Å; Y156-Q160 PolarHBondContact O-N 3.49Å; Y156-Q160 VanDerWaalsContact O-N 3.13Å; Y156-Q160 PolarHBondContact OH-NE2 3.1Å; Y156-L214 HydrophobicContact CD1-CD2 4.5Å
157	M	77	Confident	82.7	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-40.7	175	-77.3	-174.7	-80.9	0	0	112.7	A153 V154 K155 S159 Q160 Y163 I204 A208 L214	A153-M157 PolarHBondContact O-N 3.4Å; V154-M157 HydrophobicContact CB-CE 4.44Å; V154-M157 HydrophobicContact CG2-CE 4.07Å; V154-M157 PolarHBondContact O-N 3.05Å; K155-M157 PolarHBondContact O-N 3.47Å; M157-S159 PolarHBondContact O-N 3.02Å; M157-Q160 PolarHBondContact O-N 3.43Å; M157-Y163 HydrophobicContact CB-CD2 4.41Å; M157-Y163 HydrophobicContact CB-CG 4.23Å; M157-Y163 HydrophobicContact CG-CD1 4.19Å; M157-Y163 HydrophobicContact CG-CD2 4.19Å; M157-Y163 HydrophobicContact CG-CE1 4.44Å; M157-Y163 HydrophobicContact CG-CE2 4.43Å; M157-Y163 HydrophobicContact CG-CG 4.06Å; M157-Y163 WeakPolarHBondContact O-CB 3.12Å; M157-Y163 HydrophobicContact SD-CD1 4.38Å; M157-I204 HydrophobicContact CB-CG2 3.6Å; M157-I204 HydrophobicContact CE-CG2 3.94Å; M157-I204 HydrophobicContact CG-CG2 4.41Å; M157-I204 HydrophobicContact SD-CG2 3.87Å; M157-A208 HydrophobicContact CE-CB 3.31Å; M157-A208 HydrophobicContact SD-CB 4.3Å; M157-L214 HydrophobicContact CE-CD1 3.79Å; M157-L214 HydrophobicContact CG-CD1 3.93Å; M157-L214 HydrophobicContact CG-CD2 4.17Å; M157-L214 HydrophobicContact SD-CD1 3.33Å; M157-L214 WeakPolarHBondContact SD-CD1 3.44Å
158	S	80.9	Confident	82.6	Confident	23 Å²	23	72.1 Å²	72.1	16%	0.161	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-20.7	176.9	77.3	0	0	0	0	113.3	V154 K155 Y156 R164	V154-S158 WeakPolarHBondContact O-CB 3.4Å; V154-S158 PolarHBondContact O-N 3.44Å; K155-S158 PolarHBondContact O-N 3.43Å; K155-S158 PolarHBondContact O-OG 3.41Å; Y156-S158 VanDerWaalsContact C-N 3.31Å; Y156-S158 PolarHBondContact O-N 3.35Å; S158-R164 WeakPolarHBondContact O-CD 3.37Å; S158-R164 WeakPolarHBondContact O-CG 3.5Å
159	S	82.5	Confident	82.5	Confident	79 Å²	79	72.3 Å²	72.3	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-84.1	-36.7	177.2	78.6	0	0	0	0	112.7	K155 Y156 M157	K155-S159 PolarHBondContact O-N 3Å; K155-S159 VanDerWaalsContact O-N 3.09Å; Y156-S159 WeakPolarHBondContact O-CB 3.37Å; Y156-S159 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-OG 3.1Å; M157-S159 PolarHBondContact O-N 3.02Å
160	Q	81.8	Confident	82.6	Confident	53 Å²	53	68.2 Å²	68.2	25%	0.248	33%	0.329	C	S	.	.	S	Bend	trans	-78.2	130.6	-176	-79.3	-144.6	-2.7	0	0	112.9	Y156 M157 K162 Y163 R164	Y156-Q160 HydrophobicContact CE1-CG 4.2Å; Y156-Q160 HydrophobicContact CE2-CG 4.44Å; Y156-Q160 PolarHBondContact O-N 3.49Å; Y156-Q160 VanDerWaalsContact O-N 3.13Å; Y156-Q160 PolarHBondContact OH-NE2 3.1Å; M157-Q160 PolarHBondContact O-N 3.43Å; Q160-K162 VanDerWaalsContact C-N 3.32Å; Q160-K162 PolarHBondContact O-N 3.33Å; Q160-Y163 HydrophobicContact CB-CD2 3.72Å; Q160-Y163 HydrophobicContact CB-CE2 4.26Å; Q160-Y163 PolarHBondContact O-N 3.38Å; Q160-R164 WeakPolarHBondContact O-CG 3.43Å; Q160-R164 PolarHBondContact O-N 3.4Å
161	A	83.9	Confident	82.6	Confident	68 Å²	68	67.5 Å²	67.5	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-59.9	-38.5	-177.4	0	0	0	0	0	113.4	Y163 R164 I165	A161-Y163 PolarHBondContact O-N 3.17Å; A161-R164 PolarHBondContact O-N 3.06Å; A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.33Å; A161-I165 PolarHBondContact O-N 3.23Å
162	K	82	Confident	82.6	Confident	136 Å²	136	70 Å²	70	59%	0.591	34%	0.336	S	S	*	.	H	α-helix	trans	-53.8	-49.8	-179.7	-176	-175.4	176.8	-169.9	0	112	Q160 R166	Q160-K162 VanDerWaalsContact C-N 3.32Å; Q160-K162 PolarHBondContact O-N 3.33Å; K162-R166 PolarHBondContact O-N 2.87Å
163	Y	80.1	Confident	82.6	Confident	35 Å²	35	72.7 Å²	72.7	14%	0.137	35%	0.345	C	S	.	.	H	α-helix	trans	-74.4	-35.5	-178.6	-60.5	-79.9	0	0	0	112.2	M157 Q160 A161 R166 A167	M157-Y163 HydrophobicContact CB-CD2 4.41Å; M157-Y163 HydrophobicContact CB-CG 4.23Å; M157-Y163 HydrophobicContact CG-CD1 4.19Å; M157-Y163 HydrophobicContact CG-CD2 4.19Å; M157-Y163 HydrophobicContact CG-CE1 4.44Å; M157-Y163 HydrophobicContact CG-CE2 4.43Å; M157-Y163 HydrophobicContact CG-CG 4.06Å; M157-Y163 WeakPolarHBondContact O-CB 3.12Å; M157-Y163 HydrophobicContact SD-CD1 4.38Å; Q160-Y163 HydrophobicContact CB-CD2 3.72Å; Q160-Y163 HydrophobicContact CB-CE2 4.26Å; Q160-Y163 PolarHBondContact O-N 3.38Å; A161-Y163 PolarHBondContact O-N 3.17Å; Y163-R166 PolarHBondContact O-N 2.89Å; Y163-A167 VanDerWaalsContact O-CB 3.26Å; Y163-A167 WeakPolarHBondContact O-CB 3.41Å; Y163-A167 PolarHBondContact O-N 3.17Å
164	R	83.4	Confident	82.6	Confident	86 Å²	86	77.5 Å²	77.5	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-41	175.8	-67.3	-175	89.6	153.2	1.2	112.6	S158 Q160 A161 A167 K168 E197	S158-R164 WeakPolarHBondContact O-CD 3.37Å; S158-R164 WeakPolarHBondContact O-CG 3.5Å; Q160-R164 WeakPolarHBondContact O-CG 3.43Å; Q160-R164 PolarHBondContact O-N 3.4Å; A161-R164 PolarHBondContact O-N 3.06Å; R164-A167 PolarHBondContact O-N 3.3Å; R164-K168 WeakPolarHBondContact O-CG 3.26Å; R164-K168 PolarHBondContact O-N 3.43Å; R164-E197 IonicContact NH2-OE1 3.68Å
165	I	84.1	Confident	82.4	Confident	97 Å²	97	77.9 Å²	77.9	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-52.5	178.1	-68.2	163.9	0	0	0	109.3	A161 A167 K168 E169	A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.33Å; A161-I165 PolarHBondContact O-N 3.23Å; I165-A167 VanDerWaalsContact C-N 3.34Å; I165-A167 PolarHBondContact O-N 3.06Å; I165-K168 WeakPolarHBondContact O-CB 3.39Å; I165-K168 PolarHBondContact O-N 3.15Å; I165-K168 VanDerWaalsContact O-N 3.09Å; I165-E169 PolarHBondContact O-N 3.24Å
166	R	82.7	Confident	82.1	Confident	129 Å²	129	75.1 Å²	75.1	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-56.9	-45.9	177.1	-168.8	173.7	-174.9	177.8	3.7	112.1	K162 Y163 K168 E169 I170	K162-R166 PolarHBondContact O-N 2.87Å; Y163-R166 PolarHBondContact O-N 2.89Å; R166-K168 VanDerWaalsContact C-N 3.31Å; R166-K168 PolarHBondContact O-N 3.38Å; R166-E169 PolarHBondContact O-N 3.18Å; R166-I170 HydrophobicContact CG-CD1 3.7Å; R166-I170 WeakPolarHBondContact O-CD1 3.38Å; R166-I170 PolarHBondContact O-N 3.09Å; R166-I170 VanDerWaalsContact O-N 3.09Å
167	A	83.8	Confident	81.4	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-36.5	177.6	0	0	0	0	0	112.9	Y163 R164 I165 A171 I200 V203 I204	Y163-A167 VanDerWaalsContact O-CB 3.26Å; Y163-A167 WeakPolarHBondContact O-CB 3.41Å; Y163-A167 PolarHBondContact O-N 3.17Å; R164-A167 PolarHBondContact O-N 3.3Å; I165-A167 VanDerWaalsContact C-N 3.34Å; I165-A167 PolarHBondContact O-N 3.06Å; A167-A171 VanDerWaalsContact O-CB 3.24Å; A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 3.23Å; A167-I200 HydrophobicContact CB-CG2 4.2Å; A167-V203 HydrophobicContact CB-CB 4.45Å; A167-V203 HydrophobicContact CB-CG1 3.97Å; A167-I204 HydrophobicContact CB-CD1 4.27Å; A167-I204 HydrophobicContact CB-CG1 3.66Å
168	K	85.1	Confident	80.8	Confident	105 Å²	105	78.5 Å²	78.5	46%	0.457	37%	0.374	S	S	.	.	H	α-helix	trans	-68.7	-38.2	174.9	-76.6	-179.7	178.5	-171.4	0	112.6	R164 I165 R166 A171 K172 I200	R164-K168 WeakPolarHBondContact O-CG 3.26Å; R164-K168 PolarHBondContact O-N 3.43Å; I165-K168 WeakPolarHBondContact O-CB 3.39Å; I165-K168 PolarHBondContact O-N 3.15Å; I165-K168 VanDerWaalsContact O-N 3.09Å; R166-K168 VanDerWaalsContact C-N 3.31Å; R166-K168 PolarHBondContact O-N 3.38Å; K168-A171 PolarHBondContact O-N 3.21Å; K168-K172 WeakPolarHBondContact O-CB 3.48Å; K168-K172 PolarHBondContact O-N 3.43Å; K168-I200 HydrophobicContact CD-CD1 4.43Å; K168-I200 HydrophobicContact CG-CD1 3.97Å; K168-I200 HydrophobicContact CG-CG1 4.15Å
169	E	84.3	Confident	79.9	Confident	108 Å²	108	83.6 Å²	83.6	51%	0.505	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-50.6	176.2	-72.1	167.8	174.8	0	0	110.7	I165 R166 A171 K172 E173	I165-E169 PolarHBondContact O-N 3.24Å; R166-E169 PolarHBondContact O-N 3.18Å; E169-A171 PolarHBondContact O-N 3.35Å; E169-K172 WeakPolarHBondContact O-CA 3.13Å; E169-K172 WeakPolarHBondContact O-CB 3.49Å; E169-K172 PolarHBondContact O-N 3.47Å; E169-K172 VanDerWaalsContact O-N 3.1Å; E169-E173 WeakPolarHBondContact O-CG 3.18Å; E169-E173 PolarHBondContact O-N 3.09Å
170	I	84.2	Confident	79.1	Confident	21 Å²	21	81.4 Å²	81.4	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-64.8	-39	176.4	-71.3	116.9	0	0	0	112.3	R166 K172 E173 R174 V203 F207	R166-I170 HydrophobicContact CG-CD1 3.7Å; R166-I170 WeakPolarHBondContact O-CD1 3.38Å; R166-I170 PolarHBondContact O-N 3.09Å; R166-I170 VanDerWaalsContact O-N 3.09Å; I170-K172 PolarHBondContact O-N 2.9Å; I170-E173 PolarHBondContact O-N 2.88Å; I170-R174 HydrophobicContact CG2-CG 4.29Å; I170-R174 WeakPolarHBondContact O-CB 2.92Å; I170-R174 WeakPolarHBondContact O-CG 3.25Å; I170-R174 PolarHBondContact O-N 2.61Å; I170-V203 HydrophobicContact CB-CG1 4.31Å; I170-V203 HydrophobicContact CG2-CG1 4.11Å; I170-F207 HydrophobicContact CB-CE2 3.75Å; I170-F207 HydrophobicContact CB-CZ 3.83Å; I170-F207 HydrophobicContact CD1-CD2 4.43Å; I170-F207 HydrophobicContact CD1-CE1 3.86Å; I170-F207 HydrophobicContact CD1-CE2 3.37Å; I170-F207 HydrophobicContact CD1-CZ 3.05Å; I170-F207 HydrophobicContact CG1-CE1 4.46Å; I170-F207 HydrophobicContact CG1-CE2 3.8Å; I170-F207 HydrophobicContact CG1-CZ 3.4Å; I170-F207 VanDerWaalsContact CG1-CZ 3.4Å; I170-F207 HydrophobicContact CG2-CE2 3.71Å; I170-F207 HydrophobicContact CG2-CZ 3.72Å
171	A	83.8	Confident	78.2	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-62.6	-31.5	175.3	0	0	0	0	0	112.3	A167 K168 E169 G175 Y176 L177 I199 V203	A167-A171 VanDerWaalsContact O-CB 3.24Å; A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 3.23Å; K168-A171 PolarHBondContact O-N 3.21Å; E169-A171 PolarHBondContact O-N 3.35Å; A171-G175 PolarHBondContact O-N 2.67Å; A171-Y176 PolarHBondContact O-N 2.72Å; A171-L177 HydrophobicContact CB-CD1 3.73Å; A171-I199 HydrophobicContact CB-CG2 4.22Å; A171-V203 HydrophobicContact CB-CG2 4.24Å
172	K	83.6	Confident	77.1	Confident	146 Å²	146	88.1 Å²	88.1	64%	0.635	41%	0.405	S	S	*	.	H	α-helix	trans	-73.7	-46.1	173.9	-172.8	-175.2	177.4	-171.2	0	111.3	K168 E169 I170 R174 G175	K168-K172 WeakPolarHBondContact O-CB 3.48Å; K168-K172 PolarHBondContact O-N 3.43Å; E169-K172 WeakPolarHBondContact O-CA 3.13Å; E169-K172 WeakPolarHBondContact O-CB 3.49Å; E169-K172 PolarHBondContact O-N 3.47Å; E169-K172 VanDerWaalsContact O-N 3.1Å; I170-K172 PolarHBondContact O-N 2.9Å; K172-R174 PolarHBondContact O-N 2.94Å; K172-G175 PolarHBondContact O-N 3.33Å
173	E	83.7	Confident	75.9	Confident	161 Å²	161	83.6 Å²	83.6	75%	0.752	40%	0.397	S	S	*	.	H	α-helix	trans	-58.2	-37.1	176.2	-73	175.1	175.1	0	0	112.4	E169 I170 G175	E169-E173 WeakPolarHBondContact O-CG 3.18Å; E169-E173 PolarHBondContact O-N 3.09Å; I170-E173 PolarHBondContact O-N 2.88Å; E173-G175 VanDerWaalsContact C-N 3.32Å
174	R	80.9	Confident	74.5	Confident	112 Å²	112	92.4 Å²	92.4	42%	0.423	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1	178	-64.6	-179.7	-177.6	-175.8	4.4	114.3	I170 K172 Y176 E206	I170-R174 HydrophobicContact CG2-CG 4.29Å; I170-R174 WeakPolarHBondContact O-CB 2.92Å; I170-R174 WeakPolarHBondContact O-CG 3.25Å; I170-R174 PolarHBondContact O-N 2.61Å; K172-R174 PolarHBondContact O-N 2.94Å; R174-Y176 VanDerWaalsContact C-N 3.28Å; R174-Y176 HydrophobicContact CB-CD2 3.73Å; R174-Y176 HydrophobicContact CB-CE2 3.69Å; R174-Y176 HydrophobicContact CB-CG 4.45Å; R174-Y176 HydrophobicContact CG-CE2 4.33Å; R174-Y176 PolarHBondContact O-N 2.92Å; R174-E206 IonicContact CZ-OE2 3.5Å; R174-E206 IonicContact NH1-OE1 3.52Å; R174-E206 IonicContact NH1-OE2 2.66Å; R174-E206 PolarHBondContact NH1-OE2 2.92Å; R174-E206 IonicContact NH2-OE2 2.74Å
175	G	78.1	Confident	73.3	Confident	18 Å²	18	98.5 Å²	98.5	19%	0.186	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	5.1	178.4	0	0	0	0	0	115.8	A171 K172 E173 L177 E178 M179	A171-G175 PolarHBondContact O-N 2.67Å; K172-G175 PolarHBondContact O-N 3.33Å; E173-G175 VanDerWaalsContact C-N 3.32Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.45Å; G175-E178 PolarHBondContact O-N 2.87Å; G175-E178 VanDerWaalsContact O-N 3.09Å; G175-M179 PolarHBondContact O-N 2.84Å; G175-M179 VanDerWaalsContact O-N 3.09Å
176	Y	75.8	Confident	72	Confident	92 Å²	92	106.3 Å²	106.3	36%	0.361	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-34.8	-178.6	-66.5	-49.8	0	0	0	112.9	A171 R174 E178 L180 I199 V203	A171-Y176 PolarHBondContact O-N 2.72Å; R174-Y176 VanDerWaalsContact C-N 3.28Å; R174-Y176 HydrophobicContact CB-CD2 3.73Å; R174-Y176 HydrophobicContact CB-CE2 3.69Å; R174-Y176 HydrophobicContact CB-CG 4.45Å; R174-Y176 HydrophobicContact CG-CE2 4.33Å; R174-Y176 PolarHBondContact O-N 2.92Å; Y176-E178 VanDerWaalsContact C-N 3.34Å; Y176-L180 PolarHBondContact O-N 3.29Å; Y176-I199 HydrophobicContact CG-CG2 4.47Å; Y176-V203 HydrophobicContact CD2-CG2 4.47Å
177	L	67.6	Low	71	Confident	47 Å²	47	103.4 Å²	103.4	25%	0.246	47%	0.473	C	S	.	.	H	α-helix	trans	-71.9	-26.5	175.5	-109.8	107.2	0	0	0	113.3	A171 G175	A171-L177 HydrophobicContact CB-CD1 3.73Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.45Å
178	E	65.2	Low	70.5	Confident	131 Å²	131	109 Å²	109	61%	0.612	50%	0.503	S	S	*	.	H	α-helix	trans	-79.7	-33.1	177.8	-61.8	-166.6	162.5	0	0	111.4	G175 Y176 L180 K181 S182	G175-E178 PolarHBondContact O-N 2.87Å; G175-E178 VanDerWaalsContact O-N 3.09Å; Y176-E178 VanDerWaalsContact C-N 3.34Å; E178-L180 VanDerWaalsContact C-N 3.29Å; E178-L180 PolarHBondContact O-N 3.04Å; E178-K181 PolarHBondContact O-N 3.39Å; E178-K181 VanDerWaalsContact O-N 3.1Å; E178-S182 PolarHBondContact O-N 2.88Å; E178-S182 VanDerWaalsContact O-N 3.13Å
179	M	62	Low	70	Confident	130 Å²	130	110.8 Å²	110.8	64%	0.64	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-34	172.5	-70.6	-173.7	72.3	0	0	113.2	G175 K181 S182 G183	G175-M179 PolarHBondContact O-N 2.84Å; G175-M179 VanDerWaalsContact O-N 3.09Å; M179-K181 VanDerWaalsContact C-N 3.26Å; M179-K181 PolarHBondContact O-N 2.87Å; M179-S182 PolarHBondContact O-N 2.88Å; M179-S182 PolarHBondContact O-OG 3.3Å; M179-G183 PolarHBondContact O-N 3.26Å
180	L	64.8	Low	69.7	Low	34 Å²	34	112.3 Å²	112.3	18%	0.178	52%	0.518	C	S	.	.	H	α-helix	trans	-63.9	-33	174.1	-76.2	172.7	0	0	0	112.5	Y176 E178 E195 E196 I199	Y176-L180 PolarHBondContact O-N 3.29Å; E178-L180 VanDerWaalsContact C-N 3.29Å; E178-L180 PolarHBondContact O-N 3.04Å; L180-E195 HydrophobicContact CD2-CB 3.75Å; L180-E195 WeakPolarHBondContact CD2-OE2 3.41Å; L180-E196 HydrophobicContact CD1-CB 4.4Å; L180-E196 HydrophobicContact CD1-CG 3.51Å; L180-I199 HydrophobicContact CD1-CD1 3.52Å; L180-I199 HydrophobicContact CD2-CD1 4.08Å; L180-I199 HydrophobicContact CG-CD1 3.75Å
181	K	63.9	Low	69.5	Low	176 Å²	176	115.9 Å²	115.9	77%	0.765	53%	0.534	S	S	*	.	H	α-helix	trans	-83.9	-23.2	-179.1	-66	-178.6	-179.4	178.4	0	113.3	E178 M179	E178-K181 PolarHBondContact O-N 3.39Å; E178-K181 VanDerWaalsContact O-N 3.1Å; M179-K181 VanDerWaalsContact C-N 3.26Å; M179-K181 PolarHBondContact O-N 2.87Å
182	S	59.7	Low	68.9	Low	86 Å²	86	119.7 Å²	119.7	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-90	-8.7	-179.2	69.7	0	0	0	0	114.2	E178 M179 K184	E178-S182 PolarHBondContact O-N 2.88Å; E178-S182 VanDerWaalsContact O-N 3.13Å; M179-S182 PolarHBondContact O-N 2.88Å; M179-S182 PolarHBondContact O-OG 3.3Å; S182-K184 PolarHBondContact O-N 3.04Å
183	G	57.8	Low	68.8	Low	41 Å²	41	119.3 Å²	119.3	42%	0.423	55%	0.548	S	S	.	.			trans	-64.7	110.5	176	0	0	0	0	0	112.7	M179 R185	M179-G183 PolarHBondContact O-N 3.26Å; G183-R185 PolarHBondContact O-N 3.29Å
184	K	51	Low	68.9	Low	220 Å²	220	116.9 Å²	116.9	96%	0.957	54%	0.539	S	S	*	.	S	Bend	trans	-61.5	19.3	-176.1	-73.8	179.7	174.1	176.4	0	117.3	S182	S182-K184 PolarHBondContact O-N 3.04Å
185	R	57	Low	69	Low	214 Å²	214	114.5 Å²	114.5	81%	0.808	53%	0.533	S	S	*	.	S	Bend	trans	-116.9	131.7	176	-77.3	-176.5	175.3	177.5	-1.3	109.9	G183 K187	G183-R185 PolarHBondContact O-N 3.29Å; R185-K187 PolarHBondContact O-N 3.47Å
186	R	56.4	Low	69.2	Low	260 Å²	260	117.2 Å²	117.2	98%	0.981	54%	0.541	S	S	*	.			trans	-59.7	90.9	163.6	-91.7	-178.5	169.3	171.2	-3.3	107.4
187	K	63	Low	69.6	Low	68 Å²	68	116.4 Å²	116.4	30%	0.296	54%	0.54	S	S	.	.			trans	-82.1	145.3	169.7	-64.9	-172.8	-172.7	-175.3	0	108.7	R185 E191 M192 E195	R185-K187 PolarHBondContact O-N 3.47Å; K187-E191 HydrophobicContact CB-CB 4.45Å; K187-M192 HydrophobicContact CB-CG 3.89Å; K187-E195 IonicContact NZ-OE1 2.61Å; K187-E195 PolarHBondContact NZ-OE1 3.39Å; K187-E195 IonicContact NZ-OE2 3.52Å; K187-E195 PolarHBondContact NZ-OE2 3.14Å
188	D	72	Confident	70.5	Confident	118 Å²	118	117 Å²	117	63%	0.631	55%	0.551	S	S	*	*			trans	-64.6	150.2	175	-84.9	-23.7	0	0	0	110.4	E190 E191 M192	D188-E190 PolarHBondContact O-N 2.56Å; D188-E190 VanDerWaalsContact O-N 3.15Å; D188-E191 HydrophobicContact CB-CG 4.27Å; D188-E191 PolarHBondContact N-OE2 3.08Å; D188-E191 PolarHBondContact O-N 3.31Å; D188-M192 PolarHBondContact O-N 3.43Å
189	K	75.6	Confident	71.4	Confident	143 Å²	143	112.5 Å²	112.5	62%	0.622	53%	0.532	S	S	*	.	H	α-helix	trans	-57.9	-30.2	-179.8	-172.1	178.1	-179.9	179	0	112.3	M192 R193	K189-M192 HydrophobicContact CB-CE 4.49Å; K189-R193 WeakPolarHBondContact O-CG 3.5Å; K189-R193 PolarHBondContact O-N 3.47Å
190	E	78.4	Confident	72.5	Confident	140 Å²	140	106.8 Å²	106.8	65%	0.654	50%	0.504	S	S	*	.	H	α-helix	trans	-65.6	-49	174	-154.4	90.7	-169.6	0	0	111.3	D188 M192 R193 L194	D188-E190 PolarHBondContact O-N 2.56Å; D188-E190 VanDerWaalsContact O-N 3.15Å; E190-M192 PolarHBondContact O-N 2.88Å; E190-R193 WeakPolarHBondContact O-CB 3.14Å; E190-R193 PolarHBondContact O-N 3.06Å; E190-L194 WeakPolarHBondContact O-CG 3.23Å; E190-L194 PolarHBondContact O-N 2.97Å
191	E	79.5	Confident	73.4	Confident	97 Å²	97	111.5 Å²	111.5	45%	0.453	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-42.7	-179.5	-66.4	-176.5	151.7	0	0	111.5	K187 D188 R193 L194 E195	K187-E191 HydrophobicContact CB-CB 4.45Å; D188-E191 HydrophobicContact CB-CG 4.27Å; D188-E191 PolarHBondContact N-OE2 3.08Å; D188-E191 PolarHBondContact O-N 3.31Å; E191-R193 VanDerWaalsContact C-N 3.28Å; E191-R193 PolarHBondContact O-N 3.14Å; E191-L194 PolarHBondContact O-N 2.99Å; E191-E195 WeakPolarHBondContact O-CG 3.23Å; E191-E195 PolarHBondContact O-N 2.85Å
192	M	72	Confident	74.4	Confident	79 Å²	79	105.3 Å²	105.3	39%	0.389	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-38.9	176	-71.4	-173	-74.5	0	0	111.9	K187 D188 K189 E190 E195 E196	K187-M192 HydrophobicContact CB-CG 3.89Å; D188-M192 PolarHBondContact O-N 3.43Å; K189-M192 HydrophobicContact CB-CE 4.49Å; E190-M192 PolarHBondContact O-N 2.88Å; M192-E195 PolarHBondContact O-N 3.12Å; M192-E196 WeakPolarHBondContact O-CB 3.37Å; M192-E196 WeakPolarHBondContact O-CG 3.48Å; M192-E196 PolarHBondContact O-N 2.8Å
193	R	81.2	Confident	75.6	Confident	139 Å²	139	101.3 Å²	101.3	53%	0.525	47%	0.473	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175.8	-76	171.5	167.9	176.1	-7	111.9	K189 E190 E191 E195 E196 E197	K189-R193 WeakPolarHBondContact O-CG 3.5Å; K189-R193 PolarHBondContact O-N 3.47Å; E190-R193 WeakPolarHBondContact O-CB 3.14Å; E190-R193 PolarHBondContact O-N 3.06Å; E191-R193 VanDerWaalsContact C-N 3.28Å; E191-R193 PolarHBondContact O-N 3.14Å; R193-E195 VanDerWaalsContact C-N 3.34Å; R193-E196 PolarHBondContact O-N 3.4Å; R193-E197 WeakPolarHBondContact O-CB 3.46Å; R193-E197 WeakPolarHBondContact O-CG 3.36Å; R193-E197 PolarHBondContact O-N 3.05Å
194	L	84.2	Confident	76.7	Confident	110 Å²	110	99.5 Å²	99.5	58%	0.576	45%	0.453	S	S	*	.	H	α-helix	trans	-64.7	-39.3	177.4	-70.1	172.4	0	0	0	111.8	E190 E191 E197 A198	E190-L194 WeakPolarHBondContact O-CG 3.23Å; E190-L194 PolarHBondContact O-N 2.97Å; E191-L194 PolarHBondContact O-N 2.99Å; L194-E197 PolarHBondContact O-N 3.5Å; L194-A198 VanDerWaalsContact O-CB 3.3Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 3.33Å
195	E	83.7	Confident	78.1	Confident	62 Å²	62	94 Å²	94	29%	0.29	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-44.3	175.4	-71.4	-177.9	170.7	0	0	111.9	L180 K187 E191 M192 R193 E197 A198 I199	L180-E195 HydrophobicContact CD2-CB 3.75Å; L180-E195 WeakPolarHBondContact CD2-OE2 3.41Å; K187-E195 IonicContact NZ-OE1 2.61Å; K187-E195 PolarHBondContact NZ-OE1 3.39Å; K187-E195 IonicContact NZ-OE2 3.52Å; K187-E195 PolarHBondContact NZ-OE2 3.14Å; E191-E195 WeakPolarHBondContact O-CG 3.23Å; E191-E195 PolarHBondContact O-N 2.85Å; M192-E195 PolarHBondContact O-N 3.12Å; R193-E195 VanDerWaalsContact C-N 3.34Å; E195-E197 VanDerWaalsContact C-N 3.32Å; E195-E197 PolarHBondContact O-N 2.86Å; E195-A198 PolarHBondContact O-N 2.69Å; E195-I199 VanDerWaalsContact O-CG1 3.32Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 2.9Å
196	E	81.9	Confident	79	Confident	75 Å²	75	87.7 Å²	87.7	35%	0.35	41%	0.409	S	S	.	.	H	α-helix	trans	-58	-44.8	172.2	-78.1	-177.4	178.3	0	0	111.3	L180 M192 R193 I199 I200	L180-E196 HydrophobicContact CD1-CB 4.4Å; L180-E196 HydrophobicContact CD1-CG 3.51Å; M192-E196 WeakPolarHBondContact O-CB 3.37Å; M192-E196 WeakPolarHBondContact O-CG 3.48Å; M192-E196 PolarHBondContact O-N 2.8Å; R193-E196 PolarHBondContact O-N 3.4Å; E196-I199 PolarHBondContact O-N 3.43Å; E196-I200 WeakPolarHBondContact O-CB 3.27Å; E196-I200 WeakPolarHBondContact O-CD1 3.2Å; E196-I200 WeakPolarHBondContact O-CG1 3.23Å; E196-I200 PolarHBondContact O-N 3.01Å
197	E	84.6	Confident	79.6	Confident	75 Å²	75	77.1 Å²	77.1	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-37.3	176.3	-75.6	-163.2	163.4	0	0	112.7	R164 R193 L194 E195 I200 R201	R164-E197 IonicContact NH2-OE1 3.68Å; R193-E197 WeakPolarHBondContact O-CB 3.46Å; R193-E197 WeakPolarHBondContact O-CG 3.36Å; R193-E197 PolarHBondContact O-N 3.05Å; L194-E197 PolarHBondContact O-N 3.5Å; E195-E197 VanDerWaalsContact C-N 3.32Å; E195-E197 PolarHBondContact O-N 2.86Å; E197-I200 PolarHBondContact O-N 2.99Å; E197-R201 WeakPolarHBondContact O-CB 3.39Å; E197-R201 VanDerWaalsContact O-CG 3.28Å; E197-R201 WeakPolarHBondContact O-CG 3.3Å; E197-R201 PolarHBondContact O-N 3.11Å
198	A	86	Confident	79.7	Confident	58 Å²	58	74.2 Å²	74.2	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-42.3	175.4	0	0	0	0	0	111.5	L194 E195 R201 A202	L194-A198 VanDerWaalsContact O-CB 3.3Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 3.33Å; E195-A198 PolarHBondContact O-N 2.69Å; A198-R201 PolarHBondContact O-N 3.4Å; A198-A202 WeakPolarHBondContact O-CB 3.29Å; A198-A202 PolarHBondContact O-N 2.89Å
199	I	85.2	Confident	79.1	Confident	38 Å²	38	72.1 Å²	72.1	20%	0.195	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-46.9	174.6	-67.2	174.2	0	0	0	110.2	A171 Y176 L180 E195 E196 R201 A202 V203	A171-I199 HydrophobicContact CB-CG2 4.22Å; Y176-I199 HydrophobicContact CG-CG2 4.47Å; L180-I199 HydrophobicContact CD1-CD1 3.52Å; L180-I199 HydrophobicContact CD2-CD1 4.08Å; L180-I199 HydrophobicContact CG-CD1 3.75Å; E195-I199 VanDerWaalsContact O-CG1 3.32Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 2.9Å; E196-I199 PolarHBondContact O-N 3.43Å; I199-R201 VanDerWaalsContact C-N 3.32Å; I199-R201 PolarHBondContact O-N 3.11Å; I199-A202 PolarHBondContact O-N 2.98Å; I199-A202 VanDerWaalsContact O-N 3.17Å; I199-V203 HydrophobicContact CG2-CG2 4.32Å; I199-V203 WeakPolarHBondContact O-CB 3.4Å; I199-V203 VanDerWaalsContact O-CG2 3.29Å; I199-V203 WeakPolarHBondContact O-CG2 3.24Å; I199-V203 PolarHBondContact O-N 3.35Å
200	I	83.8	Confident	78.1	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-44.7	177.5	-69.1	163.6	0	0	0	110.2	A167 K168 E196 E197 V203 I204	A167-I200 HydrophobicContact CB-CG2 4.2Å; K168-I200 HydrophobicContact CD-CD1 4.43Å; K168-I200 HydrophobicContact CG-CD1 3.97Å; K168-I200 HydrophobicContact CG-CG1 4.15Å; E196-I200 WeakPolarHBondContact O-CB 3.27Å; E196-I200 WeakPolarHBondContact O-CD1 3.2Å; E196-I200 WeakPolarHBondContact O-CG1 3.23Å; E196-I200 PolarHBondContact O-N 3.01Å; E197-I200 PolarHBondContact O-N 2.99Å; I200-V203 PolarHBondContact O-N 3.32Å; I200-I204 HydrophobicContact CG2-CD1 3.74Å; I200-I204 HydrophobicContact CG2-CG1 4.39Å; I200-I204 WeakPolarHBondContact O-CB 3.41Å; I200-I204 WeakPolarHBondContact O-CG1 3.49Å; I200-I204 PolarHBondContact O-N 2.74Å
201	R	85	Confident	76.9	Confident	132 Å²	132	65.4 Å²	65.4	50%	0.498	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-37.6	176.2	-74.7	-179.5	-168.4	-168.7	8.6	112.5	E197 A198 I199 I204 K205	E197-R201 WeakPolarHBondContact O-CB 3.39Å; E197-R201 VanDerWaalsContact O-CG 3.28Å; E197-R201 WeakPolarHBondContact O-CG 3.3Å; E197-R201 PolarHBondContact O-N 3.11Å; A198-R201 PolarHBondContact O-N 3.4Å; I199-R201 VanDerWaalsContact C-N 3.32Å; I199-R201 PolarHBondContact O-N 3.11Å; R201-I204 PolarHBondContact O-N 3.22Å; R201-K205 WeakPolarHBondContact O-CG 3.26Å; R201-K205 PolarHBondContact O-N 3.14Å
202	A	84.8	Confident	75.5	Confident	47 Å²	47	62.7 Å²	62.7	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-46.1	176.9	0	0	0	0	0	111.2	A198 I199 I204 K205 E206	A198-A202 WeakPolarHBondContact O-CB 3.29Å; A198-A202 PolarHBondContact O-N 2.89Å; I199-A202 PolarHBondContact O-N 2.98Å; I199-A202 VanDerWaalsContact O-N 3.17Å; A202-I204 VanDerWaalsContact C-N 3.34Å; A202-I204 PolarHBondContact O-N 3.24Å; A202-K205 WeakPolarHBondContact O-CB 3.28Å; A202-K205 PolarHBondContact O-N 3.14Å; A202-K205 VanDerWaalsContact O-N 3.15Å; A202-E206 PolarHBondContact O-N 3.4Å; A202-E206 VanDerWaalsContact O-N 3.08Å
203	V	84	Confident	74.5	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.1	174.2	0	0	0	0	110.5	A167 I170 A171 Y176 I199 I200 K205 E206 F207	A167-V203 HydrophobicContact CB-CB 4.45Å; A167-V203 HydrophobicContact CB-CG1 3.97Å; I170-V203 HydrophobicContact CB-CG1 4.31Å; I170-V203 HydrophobicContact CG2-CG1 4.11Å; A171-V203 HydrophobicContact CB-CG2 4.24Å; Y176-V203 HydrophobicContact CD2-CG2 4.47Å; I199-V203 HydrophobicContact CG2-CG2 4.32Å; I199-V203 WeakPolarHBondContact O-CB 3.4Å; I199-V203 VanDerWaalsContact O-CG2 3.29Å; I199-V203 WeakPolarHBondContact O-CG2 3.24Å; I199-V203 PolarHBondContact O-N 3.35Å; I200-V203 PolarHBondContact O-N 3.32Å; V203-K205 VanDerWaalsContact C-N 3.34Å; V203-K205 PolarHBondContact O-N 3.35Å; V203-E206 PolarHBondContact O-N 3.45Å; V203-F207 HydrophobicContact CG1-CD2 3.62Å; V203-F207 HydrophobicContact CG1-CE2 3.37Å; V203-F207 WeakPolarHBondContact O-CD2 3.28Å; V203-F207 PolarHBondContact O-N 3.26Å
204	I	80.8	Confident	73.1	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-39.7	173.7	-71.7	170.2	0	0	0	111.6	V154 M157 A167 I200 R201 A202 E206 F207 A208	V154-I204 HydrophobicContact CG1-CG2 4.37Å; M157-I204 HydrophobicContact CB-CG2 3.6Å; M157-I204 HydrophobicContact CE-CG2 3.94Å; M157-I204 HydrophobicContact CG-CG2 4.41Å; M157-I204 HydrophobicContact SD-CG2 3.87Å; A167-I204 HydrophobicContact CB-CD1 4.27Å; A167-I204 HydrophobicContact CB-CG1 3.66Å; I200-I204 HydrophobicContact CG2-CD1 3.74Å; I200-I204 HydrophobicContact CG2-CG1 4.39Å; I200-I204 WeakPolarHBondContact O-CB 3.41Å; I200-I204 WeakPolarHBondContact O-CG1 3.49Å; I200-I204 PolarHBondContact O-N 2.74Å; R201-I204 PolarHBondContact O-N 3.22Å; A202-I204 VanDerWaalsContact C-N 3.34Å; A202-I204 PolarHBondContact O-N 3.24Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 2.87Å; I204-F207 CarbonylContact O-C 3.53Å; I204-F207 PolarHBondContact O-N 3.1Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.04Å
205	K	81	Confident	71.6	Confident	103 Å²	103	55.3 Å²	55.3	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.8	-79.2	174.2	175.3	-175.9	0	112.1	V154 R201 A202 V203 A208 D209	V154-K205 HydrophobicContact CG1-CG 3.89Å; V154-K205 HydrophobicContact CG2-CG 4.08Å; R201-K205 WeakPolarHBondContact O-CG 3.26Å; R201-K205 PolarHBondContact O-N 3.14Å; A202-K205 WeakPolarHBondContact O-CB 3.28Å; A202-K205 PolarHBondContact O-N 3.14Å; A202-K205 VanDerWaalsContact O-N 3.15Å; V203-K205 VanDerWaalsContact C-N 3.34Å; V203-K205 PolarHBondContact O-N 3.35Å; K205-A208 WeakPolarHBondContact O-CB 3.41Å; K205-A208 PolarHBondContact O-N 3.23Å; K205-D209 PolarHBondContact O-N 3.31Å
206	E	76	Confident	70.3	Confident	82 Å²	82	54.3 Å²	54.3	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-65.3	-40.8	173.3	-67.8	-179.5	-169.7	0	0	111.8	R174 A202 V203 I204 D209 I210	R174-E206 IonicContact CZ-OE2 3.5Å; R174-E206 IonicContact NH1-OE1 3.52Å; R174-E206 IonicContact NH1-OE2 2.66Å; R174-E206 PolarHBondContact NH1-OE2 2.92Å; R174-E206 IonicContact NH2-OE2 2.74Å; A202-E206 PolarHBondContact O-N 3.4Å; A202-E206 VanDerWaalsContact O-N 3.08Å; V203-E206 PolarHBondContact O-N 3.45Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 2.87Å; E206-D209 PolarHBondContact O-N 3.2Å; E206-I210 WeakPolarHBondContact O-CD1 3.34Å; E206-I210 WeakPolarHBondContact O-CG1 3.48Å; E206-I210 PolarHBondContact O-N 3.21Å
207	F	69.4	Low	69.4	Low	39 Å²	39	56 Å²	56	17%	0.171	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-35.2	173.6	-79.7	-63.4	0	0	0	112.8	I170 V203 I204 D209 I210 S211	I170-F207 HydrophobicContact CB-CE2 3.75Å; I170-F207 HydrophobicContact CB-CZ 3.83Å; I170-F207 HydrophobicContact CD1-CD2 4.43Å; I170-F207 HydrophobicContact CD1-CE1 3.86Å; I170-F207 HydrophobicContact CD1-CE2 3.37Å; I170-F207 HydrophobicContact CD1-CZ 3.05Å; I170-F207 HydrophobicContact CG1-CE1 4.46Å; I170-F207 HydrophobicContact CG1-CE2 3.8Å; I170-F207 HydrophobicContact CG1-CZ 3.4Å; I170-F207 VanDerWaalsContact CG1-CZ 3.4Å; I170-F207 HydrophobicContact CG2-CE2 3.71Å; I170-F207 HydrophobicContact CG2-CZ 3.72Å; V203-F207 HydrophobicContact CG1-CD2 3.62Å; V203-F207 HydrophobicContact CG1-CE2 3.37Å; V203-F207 WeakPolarHBondContact O-CD2 3.28Å; V203-F207 PolarHBondContact O-N 3.26Å; I204-F207 CarbonylContact O-C 3.53Å; I204-F207 PolarHBondContact O-N 3.1Å; F207-D209 PolarHBondContact O-N 2.66Å; F207-I210 CarbonylContact O-C 3.56Å; F207-I210 PolarHBondContact O-N 3.43Å; F207-I210 VanDerWaalsContact O-N 3.1Å; F207-S211 WeakPolarHBondContact O-CA 3.31Å; F207-S211 WeakPolarHBondContact O-CB 3.46Å; F207-S211 PolarHBondContact O-N 3.45Å; F207-S211 PolarHBondContact O-OG 3.47Å
208	A	64	Low	68.7	Low	6 Å²	6	57.8 Å²	57.8	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-40.7	176.3	0	0	0	0	0	110.7	Y150 V154 M157 I204 K205 I210	Y150-A208 HydrophobicContact CE2-CB 4.24Å; V154-A208 HydrophobicContact CG2-CB 4.18Å; M157-A208 HydrophobicContact CE-CB 3.31Å; M157-A208 HydrophobicContact SD-CB 4.3Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.04Å; K205-A208 WeakPolarHBondContact O-CB 3.41Å; K205-A208 PolarHBondContact O-N 3.23Å; A208-I210 VanDerWaalsContact C-N 3.27Å; A208-I210 PolarHBondContact O-N 3.08Å
209	D	60	Low	68.3	Low	74 Å²	74	60.9 Å²	60.9	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-25.5	179.1	-70.3	-13.3	0	0	0	112.6	Y150 K205 E206 F207	Y150-D209 WeakPolarHBondContact CE2-OD1 3.2Å; Y150-D209 PolarHBondContact OH-OD1 3.32Å; K205-D209 PolarHBondContact O-N 3.31Å; E206-D209 PolarHBondContact O-N 3.2Å; F207-D209 PolarHBondContact O-N 2.66Å
210	I	54.9	Low	68.1	Low	116 Å²	116	59.8 Å²	59.8	60%	0.595	32%	0.316	S	S	*	.	H	α-helix	trans	-98.4	-28.1	-178.4	-59.6	166	0	0	0	112	E206 F207 A208 C212	E206-I210 WeakPolarHBondContact O-CD1 3.34Å; E206-I210 WeakPolarHBondContact O-CG1 3.48Å; E206-I210 PolarHBondContact O-N 3.21Å; F207-I210 CarbonylContact O-C 3.56Å; F207-I210 PolarHBondContact O-N 3.43Å; F207-I210 VanDerWaalsContact O-N 3.1Å; A208-I210 VanDerWaalsContact C-N 3.27Å; A208-I210 PolarHBondContact O-N 3.08Å; I210-C212 PolarHBondContact O-SG 3.07Å; I210-C212 VanDerWaalsContact O-SG 3.38Å
211	S	52.1	Low	68.1	Low	26 Å²	26	61.7 Å²	61.7	18%	0.182	33%	0.33	C	S	.	.			trans	-92.9	125.9	-165.1	64.3	0	0	0	0	113	F207	F207-S211 WeakPolarHBondContact O-CA 3.31Å; F207-S211 WeakPolarHBondContact O-CB 3.46Å; F207-S211 PolarHBondContact O-N 3.45Å; F207-S211 PolarHBondContact O-OG 3.47Å
212	C	51.5	Low	68.2	Low	40 Å²	40	60.6 Å²	60.6	27%	0.27	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-88.1	-17.7	-169	-44.9	0	0	0	0	112.3	I210 L214 G215 C280	I210-C212 PolarHBondContact O-SG 3.07Å; I210-C212 VanDerWaalsContact O-SG 3.38Å; C212-L214 PolarHBondContact O-N 2.86Å; C212-G215 PolarHBondContact O-N 3.34Å; C212-C280 HydrophobicContact CB-CB 3.19Å; C212-C280 WeakPolarHBondContact CB-SG 2.93Å; C212-C280 WeakPolarHBondContact SG-CA 3.3Å; C212-C280 WeakPolarHBondContact SG-CB 3.31Å; C212-C280 CovalentContact SG-SG 1.97Å; C212-C280 PolarHBondContact SG-SG 3.19Å
213	D	50.5	Low	68.2	Low	97 Å²	97	66 Å²	66	52%	0.519	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-58.1	-16.9	-176.9	-63.9	-8.2	0	0	0	113.4
214	L	50.7	Low	68.1	Low	27 Å²	27	71.5 Å²	71.5	14%	0.141	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-99.6	7.1	-172.8	-75.8	137	0	0	0	114.3	A153 Y156 M157 C212 Y217	A153-L214 HydrophobicContact CB-CD2 4.41Å; Y156-L214 HydrophobicContact CD1-CD2 4.5Å; M157-L214 HydrophobicContact CE-CD1 3.79Å; M157-L214 HydrophobicContact CG-CD1 3.93Å; M157-L214 HydrophobicContact CG-CD2 4.17Å; M157-L214 HydrophobicContact SD-CD1 3.33Å; M157-L214 WeakPolarHBondContact SD-CD1 3.44Å; C212-L214 PolarHBondContact O-N 2.86Å; L214-Y217 HydrophobicContact CB-CD2 4.12Å; L214-Y217 WeakPolarHBondContact O-CD2 3.37Å; L214-Y217 WeakPolarHBondContact O-CE2 3.38Å
215	G	53	Low	68.5	Low	50 Å²	50	72 Å²	72	52%	0.515	37%	0.374	S	S	.	.	S	Bend	trans	77.7	25.1	178.9	0	0	0	0	0	114.2	C212	C212-G215 PolarHBondContact O-N 3.34Å
216	G	56.6	Low	68.9	Low	40 Å²	40	69.8 Å²	69.8	41%	0.412	37%	0.367	S	S	.	.	S	Bend	trans	88.5	24	168.3	0	0	0	0	0	116.1	Q218	G216-Q218 PolarHBondContact O-N 2.77Å
217	Y	64.3	Low	69.6	Low	111 Å²	111	67.2 Å²	67.2	44%	0.435	36%	0.359	S	S	.	.			trans	-71.7	98.1	172.8	-62.1	-71	0	0	0	110.9	K149 A153 L214	K149-Y217 HydrophobicContact CB-CD1 4.06Å; K149-Y217 HydrophobicContact CB-CE1 4.02Å; K149-Y217 HydrophobicContact CD-CE1 4.37Å; A153-Y217 HydrophobicContact CB-CD2 4.1Å; A153-Y217 HydrophobicContact CB-CG 4.23Å; L214-Y217 HydrophobicContact CB-CD2 4.12Å; L214-Y217 WeakPolarHBondContact O-CD2 3.37Å; L214-Y217 WeakPolarHBondContact O-CE2 3.38Å
218	Q	69.3	Low	70.6	Confident	113 Å²	113	67.1 Å²	67.1	53%	0.528	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-95.9	155.8	172.7	-66.6	180	-19.6	0	0	110.6	G216	G216-Q218 PolarHBondContact O-N 2.77Å
219	K	77.3	Confident	71.8	Confident	122 Å²	122	71.4 Å²	71.4	53%	0.53	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-51.7	130.8	169.1	-172.8	177.9	-178.3	178.1	0	110.2	Y150 S221	Y150-K219 HydrophobicContact CE2-CB 4.13Å; K219-S221 PolarHBondContact O-N 3.47Å
220	P	81.8	Confident	73.2	Confident	15 Å²	15	71.8 Å²	71.8	10%	0.097	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-62.6	122.9	-174.5	25.6	-36.4	0	0	0	111.2	Y143 W147	Y143-P220 HydrophobicContact CD2-CB 4.14Å; Y143-P220 HydrophobicContact CE2-CB 3.83Å; Y143-P220 HydrophobicContact CE2-CG 4.34Å; W147-P220 HydrophobicContact CB-CG 4.09Å; W147-P220 HydrophobicContact CD2-CG 4.09Å; W147-P220 HydrophobicContact CE3-CG 3.28Å; W147-P220 HydrophobicContact CG-CG 4.48Å; W147-P220 HydrophobicContact CZ3-CG 3.94Å
221	S	83.8	Confident	74.9	Confident	50 Å²	50	71.7 Å²	71.7	35%	0.35	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-102.9	138.1	177.3	178.8	0	0	0	0	110.4	K219 Y223 E224	K219-S221 PolarHBondContact O-N 3.47Å; S221-Y223 PolarHBondContact O-N 3.08Å; S221-Y223 WeakPolarHBondContact OG-CD2 3.21Å; S221-Y223 PolarHBondContact OG-N 2.91Å; S221-E224 PolarHBondContact O-N 2.77Å; S221-E224 VanDerWaalsContact O-N 3.12Å
222	I	85.9	Confident	76.7	Confident	110 Å²	110	74.1 Å²	74.1	56%	0.564	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-62.7	-29.1	176.9	-57.6	171.2	0	0	0	110.4	Y143 E224 T225 V228	Y143-I222 HydrophobicContact CE2-CG1 4.06Å; I222-E224 PolarHBondContact O-N 3.25Å; I222-T225 WeakPolarHBondContact O-CB 3.29Å; I222-T225 WeakPolarHBondContact O-CG2 3.38Å; I222-T225 PolarHBondContact O-N 3.41Å; I222-T225 PolarHBondContact O-OG1 3.09Å; I222-V228 HydrophobicContact CG2-CG2 4.08Å; I222-V228 WeakPolarHBondContact O-CG2 3.42Å
223	Y	85.5	Confident	78.6	Confident	161 Å²	161	76.5 Å²	76.5	63%	0.631	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20	177.5	-62.4	-77.1	0	0	0	114.1	S221 T225 V228 L232	S221-Y223 PolarHBondContact O-N 3.08Å; S221-Y223 WeakPolarHBondContact OG-CD2 3.21Å; S221-Y223 PolarHBondContact OG-N 2.91Å; Y223-T225 VanDerWaalsContact C-N 3.34Å; Y223-V228 HydrophobicContact CD1-CG1 3.94Å; Y223-L232 HydrophobicContact CD1-CD1 4.31Å
224	E	82.5	Confident	80.5	Confident	116 Å²	116	75.8 Å²	75.8	54%	0.542	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-84.6	-9.3	178.2	-71	-62.3	148.5	0	0	113.3	S221 I222 K229	S221-E224 PolarHBondContact O-N 2.77Å; S221-E224 VanDerWaalsContact O-N 3.12Å; I222-E224 PolarHBondContact O-N 3.25Å; E224-K229 WeakPolarHBondContact O-CE 3.46Å; E224-K229 PolarHBondContact O-NZ 2.91Å; E224-K229 VanDerWaalsContact OE2-CE 3.23Å; E224-K229 WeakPolarHBondContact OE2-CE 3.36Å; E224-K229 IonicContact OE2-NZ 2.66Å; E224-K229 PolarHBondContact OE2-NZ 2.99Å
225	T	88.9	Confident	82.5	Confident	14 Å²	14	77.8 Å²	77.8	9%	0.086	42%	0.419	C	S	.	.	S	Bend	trans	-71	150.3	-179.8	65.6	0	0	0	0	112.3	Y143 I222 Y223 A227 V228 K229	Y143-T225 HydrophobicContact CD2-CG2 4.26Å; I222-T225 WeakPolarHBondContact O-CB 3.29Å; I222-T225 WeakPolarHBondContact O-CG2 3.38Å; I222-T225 PolarHBondContact O-N 3.41Å; I222-T225 PolarHBondContact O-OG1 3.09Å; Y223-T225 VanDerWaalsContact C-N 3.34Å; T225-A227 VanDerWaalsContact C-N 3.33Å; T225-A227 PolarHBondContact O-N 3.35Å; T225-V228 PolarHBondContact O-N 3.46Å; T225-V228 WeakPolarHBondContact OG1-CG2 3.47Å; T225-K229 WeakPolarHBondContact O-CB 3.4Å; T225-K229 WeakPolarHBondContact O-CG 3.24Å; T225-K229 PolarHBondContact O-N 3.13Å
226	L	90	Very high	84.1	Confident	57 Å²	57	78.1 Å²	78.1	30%	0.298	42%	0.417	S	S	.	.	H	α-helix	trans	-56.2	-44.3	-179.3	-179.3	65.2	0	0	0	112.7	V135 I138 Q142 V228 K229 I230	V135-L226 HydrophobicContact CG1-CG 4.49Å; I138-L226 HydrophobicContact CB-CD2 4.45Å; I138-L226 HydrophobicContact CG2-CD2 3.89Å; Q142-L226 VanDerWaalsContact OE1-CB 3.3Å; Q142-L226 VanDerWaalsContact OE1-N 3.1Å; L226-V228 PolarHBondContact O-N 3.33Å; L226-K229 PolarHBondContact O-N 3.44Å; L226-I230 HydrophobicContact CD1-CD1 4.03Å; L226-I230 HydrophobicContact CD1-CG1 4.24Å; L226-I230 HydrophobicContact CD2-CD1 4.46Å; L226-I230 HydrophobicContact CG-CD1 3.82Å; L226-I230 HydrophobicContact CG-CG1 4.43Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.23Å; L226-I230 PolarHBondContact O-N 3.41Å
227	A	89.4	Confident	85.7	Confident	28 Å²	28	80.2 Å²	80.2	23%	0.231	42%	0.418	C	S	.	.	H	α-helix	trans	-58.7	-48.3	-179.9	0	0	0	0	0	111.9	V135 S139 T225 I230 V231	V135-A227 HydrophobicContact CG1-CB 4.08Å; S139-A227 VanDerWaalsContact OG-CB 3.26Å; S139-A227 WeakPolarHBondContact OG-CB 3.36Å; S139-A227 PolarHBondContact OG-N 2.99Å; T225-A227 VanDerWaalsContact C-N 3.33Å; T225-A227 PolarHBondContact O-N 3.35Å; A227-I230 PolarHBondContact O-N 2.96Å; A227-V231 WeakPolarHBondContact O-CG2 3.27Å; A227-V231 PolarHBondContact O-N 2.95Å
228	V	90.2	Very high	87	Confident	36 Å²	36	82.6 Å²	82.6	22%	0.218	43%	0.427	C	S	.	.	H	α-helix	trans	-69.1	-37.7	179.4	-179.8	0	0	0	0	111.2	I222 Y223 T225 L226 I230 V231 L232	I222-V228 HydrophobicContact CG2-CG2 4.08Å; I222-V228 WeakPolarHBondContact O-CG2 3.42Å; Y223-V228 HydrophobicContact CD1-CG1 3.94Å; T225-V228 PolarHBondContact O-N 3.46Å; T225-V228 WeakPolarHBondContact OG1-CG2 3.47Å; L226-V228 PolarHBondContact O-N 3.33Å; V228-I230 VanDerWaalsContact C-N 3.33Å; V228-I230 PolarHBondContact O-N 3.11Å; V228-V231 PolarHBondContact O-N 3.06Å; V228-L232 HydrophobicContact CG1-CD1 3.72Å; V228-L232 HydrophobicContact CG1-CG 4.11Å; V228-L232 WeakPolarHBondContact O-CB 3.07Å; V228-L232 WeakPolarHBondContact O-CG 3.06Å; V228-L232 PolarHBondContact O-N 3.28Å
229	K	89.3	Confident	88	Confident	97 Å²	97	85.7 Å²	85.7	42%	0.422	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-39.3	173.7	-77.9	179.2	173	158.6	0	112.6	E224 T225 L226 L232 L233	E224-K229 WeakPolarHBondContact O-CE 3.46Å; E224-K229 PolarHBondContact O-NZ 2.91Å; E224-K229 VanDerWaalsContact OE2-CE 3.23Å; E224-K229 WeakPolarHBondContact OE2-CE 3.36Å; E224-K229 IonicContact OE2-NZ 2.66Å; E224-K229 PolarHBondContact OE2-NZ 2.99Å; T225-K229 WeakPolarHBondContact O-CB 3.4Å; T225-K229 WeakPolarHBondContact O-CG 3.24Å; T225-K229 PolarHBondContact O-N 3.13Å; L226-K229 PolarHBondContact O-N 3.44Å; K229-L232 CarbonylContact O-C 3.56Å; K229-L232 PolarHBondContact O-N 2.93Å; K229-L233 WeakPolarHBondContact O-CA 3.2Å; K229-L233 VanDerWaalsContact O-CB 3.29Å; K229-L233 WeakPolarHBondContact O-CB 3.22Å; K229-L233 PolarHBondContact O-N 2.92Å
230	I	90.2	Very high	88.6	Confident	82 Å²	82	87 Å²	87	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-43	174.9	-71.5	166.9	0	0	0	110.5	V135 L226 A227 V228 L233	V135-I230 HydrophobicContact CG1-CD1 3.78Å; V135-I230 HydrophobicContact CG2-CD1 4.23Å; L226-I230 HydrophobicContact CD1-CD1 4.03Å; L226-I230 HydrophobicContact CD1-CG1 4.24Å; L226-I230 HydrophobicContact CD2-CD1 4.46Å; L226-I230 HydrophobicContact CG-CD1 3.82Å; L226-I230 HydrophobicContact CG-CG1 4.43Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.23Å; L226-I230 PolarHBondContact O-N 3.41Å; A227-I230 PolarHBondContact O-N 2.96Å; V228-I230 VanDerWaalsContact C-N 3.33Å; V228-I230 PolarHBondContact O-N 3.11Å; I230-L233 VanDerWaalsContact O-CB 3.28Å; I230-L233 WeakPolarHBondContact O-CB 3.13Å; I230-L233 PolarHBondContact O-N 3.4Å
231	V	90	Very high	89	Confident	113 Å²	113	90.2 Å²	90.2	69%	0.685	45%	0.452	S	S	*	.	H	α-helix	trans	-65.9	-38.7	177.7	173	0	0	0	0	111.7	A227 V228 L233 P234	A227-V231 WeakPolarHBondContact O-CG2 3.27Å; A227-V231 PolarHBondContact O-N 2.95Å; V228-V231 PolarHBondContact O-N 3.06Å; V231-L233 VanDerWaalsContact C-N 3.34Å; V231-P234 WeakPolarHBondContact O-CD 3.41Å
232	L	90.6	Very high	89.4	Confident	78 Å²	78	94.4 Å²	94.4	41%	0.408	46%	0.461	S	S	.	.	H	α-helix	trans	-84.7	-6.1	178.3	-65.7	178.8	0	0	0	113.7	Y223 V228 K229 V235 A236	Y223-L232 HydrophobicContact CD1-CD1 4.31Å; V228-L232 HydrophobicContact CG1-CD1 3.72Å; V228-L232 HydrophobicContact CG1-CG 4.11Å; V228-L232 WeakPolarHBondContact O-CB 3.07Å; V228-L232 WeakPolarHBondContact O-CG 3.06Å; V228-L232 PolarHBondContact O-N 3.28Å; K229-L232 CarbonylContact O-C 3.56Å; K229-L232 PolarHBondContact O-N 2.93Å; L232-V235 PolarHBondContact O-N 3.48Å; L232-V235 VanDerWaalsContact O-N 3.12Å; L232-A236 WeakPolarHBondContact O-CB 3.31Å; L232-A236 PolarHBondContact O-N 3.16Å
233	L	90.8	Very high	89.4	Confident	89 Å²	89	92.2 Å²	92.2	47%	0.466	45%	0.447	S	S	.	.	H	α-helix	trans	-56.1	-43.9	-176.4	-179.4	149.5	0	0	0	112.6	K229 I230 V231 V235 A236 L237	K229-L233 WeakPolarHBondContact O-CA 3.2Å; K229-L233 VanDerWaalsContact O-CB 3.29Å; K229-L233 WeakPolarHBondContact O-CB 3.22Å; K229-L233 PolarHBondContact O-N 2.92Å; I230-L233 VanDerWaalsContact O-CB 3.28Å; I230-L233 WeakPolarHBondContact O-CB 3.13Å; I230-L233 PolarHBondContact O-N 3.4Å; V231-L233 VanDerWaalsContact C-N 3.34Å; L233-V235 VanDerWaalsContact C-N 3.33Å; L233-V235 PolarHBondContact O-N 3.45Å; L233-A236 PolarHBondContact O-N 3.38Å; L233-L237 HydrophobicContact CD2-CD1 3.41Å; L233-L237 VanDerWaalsContact CD2-CD1 3.41Å; L233-L237 HydrophobicContact CD2-CG 4.01Å; L233-L237 HydrophobicContact CG-CD1 4.26Å; L233-L237 HydrophobicContact CG-CG 4.35Å; L233-L237 WeakPolarHBondContact O-CB 2.83Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.9Å
234	P	91.1	Very high	89.4	Confident	82 Å²	82	87.9 Å²	87.9	53%	0.532	43%	0.433	S	S	.	.	H	α-helix	trans	-61.1	-40.3	177	-24.2	35.3	0	0	0	113	V231 Y238	V231-P234 WeakPolarHBondContact O-CD 3.41Å; P234-Y238 WeakPolarHBondContact O-CB 3.15Å; P234-Y238 PolarHBondContact O-N 3.42Å
235	V	91.4	Very high	89.8	Confident	70 Å²	70	87.8 Å²	87.8	42%	0.424	44%	0.435	S	S	.	.	H	α-helix	trans	-69.2	-43.1	178.1	-176.4	0	0	0	0	110.5	L232 L233 Y238 R239	L232-V235 PolarHBondContact O-N 3.48Å; L232-V235 VanDerWaalsContact O-N 3.12Å; L233-V235 VanDerWaalsContact C-N 3.33Å; L233-V235 PolarHBondContact O-N 3.45Å; V235-Y238 PolarHBondContact O-N 2.88Å; V235-R239 WeakPolarHBondContact O-CG 3.11Å; V235-R239 PolarHBondContact O-N 3.47Å
236	A	86.9	Confident	89.7	Confident	57 Å²	57	88.6 Å²	88.6	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176.2	0	0	0	0	0	111.7	L232 L233 R239 W240	L232-A236 WeakPolarHBondContact O-CB 3.31Å; L232-A236 PolarHBondContact O-N 3.16Å; L233-A236 PolarHBondContact O-N 3.38Å; A236-R239 PolarHBondContact O-N 3.4Å; A236-W240 VanDerWaalsContact O-CB 3.28Å; A236-W240 WeakPolarHBondContact O-CB 3.12Å; A236-W240 PolarHBondContact O-N 2.88Å
237	L	89.8	Confident	89.4	Confident	84 Å²	84	87.7 Å²	87.7	44%	0.44	43%	0.432	S	S	.	.	H	α-helix	trans	-62	-46.6	173.9	-78.4	-179.6	0	0	0	111.4	L233 R239 W240 I241	L233-L237 HydrophobicContact CD2-CD1 3.41Å; L233-L237 VanDerWaalsContact CD2-CD1 3.41Å; L233-L237 HydrophobicContact CD2-CG 4.01Å; L233-L237 HydrophobicContact CG-CD1 4.26Å; L233-L237 HydrophobicContact CG-CG 4.35Å; L233-L237 WeakPolarHBondContact O-CB 2.83Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.9Å; L237-R239 PolarHBondContact O-N 3.09Å; L237-W240 PolarHBondContact O-N 3.21Å; L237-I241 WeakPolarHBondContact O-CB 3.01Å; L237-I241 VanDerWaalsContact O-CG1 3.27Å; L237-I241 WeakPolarHBondContact O-CG1 3.31Å; L237-I241 PolarHBondContact O-N 2.8Å
238	Y	92.8	Very high	89.2	Confident	161 Å²	161	91.9 Å²	91.9	63%	0.631	45%	0.445	S	S	*	.	H	α-helix	trans	-58.5	-48.8	176.8	172.9	-98.6	0	0	0	111.9	P234 V235 W240 I241 Y242	P234-Y238 WeakPolarHBondContact O-CB 3.15Å; P234-Y238 PolarHBondContact O-N 3.42Å; V235-Y238 PolarHBondContact O-N 2.88Å; Y238-W240 VanDerWaalsContact C-N 3.3Å; Y238-W240 PolarHBondContact O-N 2.77Å; Y238-I241 PolarHBondContact O-N 2.9Å; Y238-Y242 WeakPolarHBondContact O-CB 3.49Å; Y238-Y242 PolarHBondContact O-N 3.46Å
239	R	90.2	Very high	88.9	Confident	178 Å²	178	97.1 Å²	97.1	67%	0.672	46%	0.461	S	S	*	.	H	α-helix	trans	-61.2	-39	176.9	-74.8	179.7	175.2	172.5	-0.6	112.2	V235 A236 L237 F243	V235-R239 WeakPolarHBondContact O-CG 3.11Å; V235-R239 PolarHBondContact O-N 3.47Å; A236-R239 PolarHBondContact O-N 3.4Å; L237-R239 PolarHBondContact O-N 3.09Å; R239-F243 WeakPolarHBondContact O-CB 3.5Å; R239-F243 PolarHBondContact O-N 3.12Å
240	W	89.7	Confident	88.7	Confident	149 Å²	149	96 Å²	96	56%	0.564	45%	0.454	S	S	*	.	H	α-helix	trans	-67.9	-45.7	177.3	179.7	82.2	0	0	0	111.8	A236 L237 Y238 F243 Q244	A236-W240 VanDerWaalsContact O-CB 3.28Å; A236-W240 WeakPolarHBondContact O-CB 3.12Å; A236-W240 PolarHBondContact O-N 2.88Å; L237-W240 PolarHBondContact O-N 3.21Å; Y238-W240 VanDerWaalsContact C-N 3.3Å; Y238-W240 PolarHBondContact O-N 2.77Å; W240-F243 PolarHBondContact O-N 3.31Å; W240-Q244 HydrophobicContact CD2-CG 4.12Å; W240-Q244 HydrophobicContact CE3-CG 4.48Å; W240-Q244 HydrophobicContact CH2-CG 4.3Å; W240-Q244 HydrophobicContact CZ2-CG 3.92Å; W240-Q244 WeakPolarHBondContact O-CG 3.28Å; W240-Q244 PolarHBondContact O-N 3.4Å
241	I	89.9	Confident	88.3	Confident	83 Å²	83	94 Å²	94	43%	0.426	44%	0.444	S	S	.	.	H	α-helix	trans	-60.1	-47.7	175.5	-69	168.1	0	0	0	110.1	L237 Y238 F243 Q244 L245	L237-I241 WeakPolarHBondContact O-CB 3.01Å; L237-I241 VanDerWaalsContact O-CG1 3.27Å; L237-I241 WeakPolarHBondContact O-CG1 3.31Å; L237-I241 PolarHBondContact O-N 2.8Å; Y238-I241 PolarHBondContact O-N 2.9Å; I241-F243 VanDerWaalsContact C-N 3.34Å; I241-F243 PolarHBondContact O-N 2.91Å; I241-Q244 PolarHBondContact O-N 3.28Å; I241-L245 HydrophobicContact CG2-CD1 3.78Å; I241-L245 HydrophobicContact CG2-CG 4.22Å; I241-L245 WeakPolarHBondContact O-CB 3.49Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 3.03Å
242	Y	91.3	Very high	87.9	Confident	137 Å²	137	92.5 Å²	92.5	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-56.1	-49.2	175.8	177	-95.2	0	0	0	111.1	Y238 Q244 L245 D246	Y238-Y242 WeakPolarHBondContact O-CB 3.49Å; Y238-Y242 PolarHBondContact O-N 3.46Å; Y242-Q244 VanDerWaalsContact C-N 3.34Å; Y242-Q244 PolarHBondContact O-N 3.35Å; Y242-L245 PolarHBondContact O-N 2.71Å; Y242-D246 HydrophobicContact CE1-CB 4.43Å; Y242-D246 WeakPolarHBondContact O-CB 3.49Å; Y242-D246 PolarHBondContact O-N 2.94Å
243	F	87.2	Confident	87.5	Confident	64 Å²	64	92.9 Å²	92.9	28%	0.281	44%	0.436	S	S	.	.	H	α-helix	trans	-58.5	-42	176.8	174.6	-98.1	0	0	0	112.6	R239 W240 I241 W247 Y265	R239-F243 WeakPolarHBondContact O-CB 3.5Å; R239-F243 PolarHBondContact O-N 3.12Å; W240-F243 PolarHBondContact O-N 3.31Å; I241-F243 VanDerWaalsContact C-N 3.34Å; I241-F243 PolarHBondContact O-N 2.91Å; F243-W247 HydrophobicContact CE1-CE3 4.2Å; F243-W247 AromaticContact CE2-CE3 3.98Å; F243-W247 HydrophobicContact CE2-CE3 3.98Å; F243-W247 HydrophobicContact CE2-CZ3 4.47Å; F243-W247 HydrophobicContact CZ-CD2 4.42Å; F243-W247 AromaticContact CZ-CE3 3.51Å; F243-W247 HydrophobicContact CZ-CE3 3.51Å; F243-W247 AromaticContact CZ-CZ3 3.93Å; F243-W247 HydrophobicContact CZ-CZ3 3.93Å; F243-W247 WeakPolarHBondContact O-CB 3.12Å; F243-W247 PolarHBondContact O-N 2.95Å; F243-Y265 HydrophobicContact CE1-CE1 4.23Å; F243-Y265 HydrophobicContact CE1-CE2 4.27Å; F243-Y265 AromaticContact CE1-CZ 3.89Å; F243-Y265 HydrophobicContact CZ-CD1 4.38Å; F243-Y265 HydrophobicContact CZ-CD2 4.37Å; F243-Y265 HydrophobicContact CZ-CE1 4.15Å; F243-Y265 HydrophobicContact CZ-CE2 4.15Å; F243-Y265 HydrophobicContact CZ-CG 4.49Å
244	Q	86.2	Confident	87.1	Confident	71 Å²	71	96.1 Å²	96.1	33%	0.332	44%	0.442	S	S	.	.	H	α-helix	trans	-66.9	-44.4	177.8	-68.3	-62.1	-19.9	0	0	112.3	W240 I241 Y242 W247 F248	W240-Q244 HydrophobicContact CD2-CG 4.12Å; W240-Q244 HydrophobicContact CE3-CG 4.48Å; W240-Q244 HydrophobicContact CH2-CG 4.3Å; W240-Q244 HydrophobicContact CZ2-CG 3.92Å; W240-Q244 WeakPolarHBondContact O-CG 3.28Å; W240-Q244 PolarHBondContact O-N 3.4Å; I241-Q244 PolarHBondContact O-N 3.28Å; Y242-Q244 VanDerWaalsContact C-N 3.34Å; Y242-Q244 PolarHBondContact O-N 3.35Å; Q244-W247 PolarHBondContact O-N 2.92Å; Q244-F248 VanDerWaalsContact O-CB 3.24Å; Q244-F248 WeakPolarHBondContact O-CB 3.35Å; Q244-F248 PolarHBondContact O-N 3.34Å
245	L	89.4	Confident	86.5	Confident	113 Å²	113	102.5 Å²	102.5	59%	0.592	46%	0.456	S	S	*	.	H	α-helix	trans	-64.9	-44.4	178.7	-70.5	175.3	0	0	0	111.3	I241 Y242 F248 W249	I241-L245 HydrophobicContact CG2-CD1 3.78Å; I241-L245 HydrophobicContact CG2-CG 4.22Å; I241-L245 WeakPolarHBondContact O-CB 3.49Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 3.03Å; Y242-L245 PolarHBondContact O-N 2.71Å; L245-F248 PolarHBondContact O-N 2.78Å; L245-W249 VanDerWaalsContact O-CB 3.31Å; L245-W249 WeakPolarHBondContact O-CB 3.1Å; L245-W249 PolarHBondContact O-N 2.83Å
246	D	87.1	Confident	86	Confident	32 Å²	32	103.4 Å²	103.4	17%	0.171	46%	0.456	C	S	.	.	H	α-helix	trans	-65.6	-41.7	177.6	-176.7	39.1	0	0	0	111.6	Y242 W249 R250	Y242-D246 HydrophobicContact CE1-CB 4.43Å; Y242-D246 WeakPolarHBondContact O-CB 3.49Å; Y242-D246 PolarHBondContact O-N 2.94Å; D246-W249 PolarHBondContact O-N 3.29Å; D246-R250 WeakPolarHBondContact O-CB 3.47Å; D246-R250 WeakPolarHBondContact O-CG 3.47Å; D246-R250 PolarHBondContact O-N 2.98Å; D246-R250 IonicContact OD1-CZ 2.68Å; D246-R250 VanDerWaalsContact OD1-CZ 3.22Å; D246-R250 IonicContact OD1-NE 2.72Å; D246-R250 IonicContact OD1-NH1 3.99Å; D246-R250 PolarHBondContact OD1-NH1 3.39Å; D246-R250 IonicContact OD1-NH2 3.67Å; D246-R250 IonicContact OD2-CZ 2.61Å; D246-R250 IonicContact OD2-NE 2.76Å; D246-R250 IonicContact OD2-NH1 3.19Å; D246-R250 PolarHBondContact OD2-NH1 3.21Å; D246-R250 IonicContact OD2-NH2 2.61Å; D246-R250 PolarHBondContact OD2-NH2 3.37Å
247	W	83.7	Confident	85.6	Confident	38 Å²	38	109.9 Å²	109.9	14%	0.144	48%	0.476	C	S	.	.	H	α-helix	trans	-61.2	-49.4	172	-175.1	-73.5	0	0	0	111.8	F243 Q244 W249 R250 I251 L258 E262 Y265 L266	F243-W247 HydrophobicContact CE1-CE3 4.2Å; F243-W247 AromaticContact CE2-CE3 3.98Å; F243-W247 HydrophobicContact CE2-CE3 3.98Å; F243-W247 HydrophobicContact CE2-CZ3 4.47Å; F243-W247 HydrophobicContact CZ-CD2 4.42Å; F243-W247 AromaticContact CZ-CE3 3.51Å; F243-W247 HydrophobicContact CZ-CE3 3.51Å; F243-W247 AromaticContact CZ-CZ3 3.93Å; F243-W247 HydrophobicContact CZ-CZ3 3.93Å; F243-W247 WeakPolarHBondContact O-CB 3.12Å; F243-W247 PolarHBondContact O-N 2.95Å; Q244-W247 PolarHBondContact O-N 2.92Å; W247-W249 VanDerWaalsContact C-N 3.32Å; W247-W249 PolarHBondContact O-N 3.08Å; W247-R250 PolarHBondContact O-N 2.92Å; W247-I251 HydrophobicContact CD2-CD1 3.46Å; W247-I251 VanDerWaalsContact CD2-CD1 3.46Å; W247-I251 HydrophobicContact CE3-CD1 3.83Å; W247-I251 HydrophobicContact CG-CD1 3.98Å; W247-I251 HydrophobicContact CH2-CD1 3.83Å; W247-I251 HydrophobicContact CZ2-CD1 3.46Å; W247-I251 VanDerWaalsContact CZ2-CD1 3.46Å; W247-I251 HydrophobicContact CZ3-CD1 4Å; W247-I251 WeakPolarHBondContact O-CB 3.28Å; W247-I251 PolarHBondContact O-N 3.48Å; W247-L258 HydrophobicContact CH2-CD2 4.32Å; W247-L258 HydrophobicContact CZ2-CD2 4.32Å; W247-E262 HydrophobicContact CH2-CB 3.84Å; W247-E262 HydrophobicContact CH2-CG 4.21Å; W247-E262 HydrophobicContact CZ3-CB 3.91Å; W247-E262 HydrophobicContact CZ3-CG 3.82Å; W247-Y265 AromaticContact CH2-CD1 3.85Å; W247-Y265 HydrophobicContact CH2-CD1 3.85Å; W247-Y265 HydrophobicContact CH2-CE1 4.46Å; W247-Y265 AromaticContact CZ3-CD1 3.88Å; W247-Y265 HydrophobicContact CZ3-CD1 3.88Å; W247-Y265 HydrophobicContact CZ3-CE1 4.43Å; W247-L266 HydrophobicContact CH2-CD1 4.38Å; W247-L266 HydrophobicContact CH2-CD2 4.28Å; W247-L266 HydrophobicContact CH2-CG 4.07Å; W247-L266 HydrophobicContact CZ2-CD1 4.29Å; W247-L266 HydrophobicContact CZ2-CD2 4.06Å; W247-L266 HydrophobicContact CZ2-CG 4.21Å
248	F	85.3	Confident	85.2	Confident	116 Å²	116	108.3 Å²	108.3	51%	0.509	47%	0.468	S	S	.	.	I	π-helix	trans	-60.1	-43.1	178.7	-176	-102.4	0	0	0	111.2	Q244 L245 T252 I253	Q244-F248 VanDerWaalsContact O-CB 3.24Å; Q244-F248 WeakPolarHBondContact O-CB 3.35Å; Q244-F248 PolarHBondContact O-N 3.34Å; L245-F248 PolarHBondContact O-N 2.78Å; F248-T252 HydrophobicContact CD2-CG2 4.12Å; F248-T252 HydrophobicContact CE2-CG2 3.82Å; F248-T252 HydrophobicContact CZ-CG2 4.44Å; F248-T252 WeakPolarHBondContact O-CA 3.37Å; F248-T252 WeakPolarHBondContact O-CB 3.38Å; F248-T252 PolarHBondContact O-N 3.35Å; F248-I253 HydrophobicContact CD1-CD1 3.95Å; F248-I253 HydrophobicContact CD1-CG1 4.47Å; F248-I253 HydrophobicContact CE1-CD1 3.7Å; F248-I253 HydrophobicContact CE1-CG1 4.19Å; F248-I253 PolarHBondContact O-N 2.87Å
249	W	85.1	Confident	84.8	Confident	146 Å²	146	102 Å²	102	55%	0.553	45%	0.452	S	S	*	.	I	π-helix	trans	-65.8	-51.7	177.2	-174.6	-103.9	0	0	0	112.6	L245 D246 W247 I253 R254	L245-W249 VanDerWaalsContact O-CB 3.31Å; L245-W249 WeakPolarHBondContact O-CB 3.1Å; L245-W249 PolarHBondContact O-N 2.83Å; D246-W249 PolarHBondContact O-N 3.29Å; W247-W249 VanDerWaalsContact C-N 3.32Å; W247-W249 PolarHBondContact O-N 3.08Å; W249-I253 HydrophobicContact CD2-CD1 4.48Å; W249-I253 HydrophobicContact CE3-CB 4.42Å; W249-I253 HydrophobicContact CE3-CD1 3.51Å; W249-I253 HydrophobicContact CE3-CG2 4.34Å; W249-I253 HydrophobicContact CZ3-CD1 3.84Å; W249-I253 HydrophobicContact CZ3-CG2 4.25Å; W249-I253 WeakPolarHBondContact O-CB 3.33Å; W249-R254 PolarHBondContact O-N 3.33Å
250	R	84.8	Confident	84.6	Confident	74 Å²	74	99 Å²	99	28%	0.279	44%	0.444	S	S	.	.	I	π-helix	trans	-69.1	-44.8	-176.4	-72.2	-161.2	-64.8	-111	-5.1	113.4	D246 W247 R254 R255 Q256	D246-R250 WeakPolarHBondContact O-CB 3.47Å; D246-R250 WeakPolarHBondContact O-CG 3.47Å; D246-R250 PolarHBondContact O-N 2.98Å; D246-R250 IonicContact OD1-CZ 2.68Å; D246-R250 VanDerWaalsContact OD1-CZ 3.22Å; D246-R250 IonicContact OD1-NE 2.72Å; D246-R250 IonicContact OD1-NH1 3.99Å; D246-R250 PolarHBondContact OD1-NH1 3.39Å; D246-R250 IonicContact OD1-NH2 3.67Å; D246-R250 IonicContact OD2-CZ 2.61Å; D246-R250 IonicContact OD2-NE 2.76Å; D246-R250 IonicContact OD2-NH1 3.19Å; D246-R250 PolarHBondContact OD2-NH1 3.21Å; D246-R250 IonicContact OD2-NH2 2.61Å; D246-R250 PolarHBondContact OD2-NH2 3.37Å; W247-R250 PolarHBondContact O-N 2.92Å; R250-R254 WeakPolarHBondContact O-CB 3.34Å; R250-R255 PolarHBondContact O-N 3.03Å; R250-Q256 PolarHBondContact O-N 2.95Å; R250-Q256 VanDerWaalsContact O-N 3.17Å
251	I	81.6	Confident	84.4	Confident	40 Å²	40	95.3 Å²	95.3	21%	0.205	45%	0.445	C	S	.	.	I	π-helix	trans	-95.4	-46.3	-170.5	-65.6	165	0	0	0	111.3	W247 R255 L258 E262	W247-I251 HydrophobicContact CD2-CD1 3.46Å; W247-I251 VanDerWaalsContact CD2-CD1 3.46Å; W247-I251 HydrophobicContact CE3-CD1 3.83Å; W247-I251 HydrophobicContact CG-CD1 3.98Å; W247-I251 HydrophobicContact CH2-CD1 3.83Å; W247-I251 HydrophobicContact CZ2-CD1 3.46Å; W247-I251 VanDerWaalsContact CZ2-CD1 3.46Å; W247-I251 HydrophobicContact CZ3-CD1 4Å; W247-I251 WeakPolarHBondContact O-CB 3.28Å; W247-I251 PolarHBondContact O-N 3.48Å; I251-R255 WeakPolarHBondContact O-CA 3.34Å; I251-R255 PolarHBondContact O-N 3.3Å; I251-L258 HydrophobicContact CD1-CD2 3.9Å; I251-E262 HydrophobicContact CD1-CG 4.38Å
252	T	80.2	Confident	84.1	Confident	80 Å²	80	93.9 Å²	93.9	49%	0.491	44%	0.436	S	S	.	.	I	π-helix	trans	-79.5	-44	-176.3	-49	0	0	0	0	112.1	F248	F248-T252 HydrophobicContact CD2-CG2 4.12Å; F248-T252 HydrophobicContact CE2-CG2 3.82Å; F248-T252 HydrophobicContact CZ-CG2 4.44Å; F248-T252 WeakPolarHBondContact O-CA 3.37Å; F248-T252 WeakPolarHBondContact O-CB 3.38Å; F248-T252 PolarHBondContact O-N 3.35Å
253	I	82.7	Confident	84	Confident	86 Å²	86	90.1 Å²	90.1	44%	0.441	42%	0.423	S	S	.	.	I	π-helix	trans	-87.7	-55.4	-177.3	-64	170.5	0	0	0	111.7	F248 W249 R255	F248-I253 HydrophobicContact CD1-CD1 3.95Å; F248-I253 HydrophobicContact CD1-CG1 4.47Å; F248-I253 HydrophobicContact CE1-CD1 3.7Å; F248-I253 HydrophobicContact CE1-CG1 4.19Å; F248-I253 PolarHBondContact O-N 2.87Å; W249-I253 HydrophobicContact CD2-CD1 4.48Å; W249-I253 HydrophobicContact CE3-CB 4.42Å; W249-I253 HydrophobicContact CE3-CD1 3.51Å; W249-I253 HydrophobicContact CE3-CG2 4.34Å; W249-I253 HydrophobicContact CZ3-CD1 3.84Å; W249-I253 HydrophobicContact CZ3-CG2 4.25Å; W249-I253 WeakPolarHBondContact O-CB 3.33Å; I253-R255 VanDerWaalsContact C-N 3.31Å; I253-R255 PolarHBondContact O-N 2.89Å
254	R	82.6	Confident	84.1	Confident	157 Å²	157	89 Å²	89	59%	0.592	42%	0.418	S	S	*	.	S	Bend	trans	-79.6	-9	-176.7	-64	-170.6	84.2	179	7.8	114.5	W249 R250 Q256	W249-R254 PolarHBondContact O-N 3.33Å; R250-R254 WeakPolarHBondContact O-CB 3.34Å; R254-Q256 HydrophobicContact CB-CG 4.08Å; R254-Q256 PolarHBondContact O-N 3.12Å; R254-Q256 VanDerWaalsContact O-N 3.17Å
255	R	78.9	Confident	84.2	Confident	217 Å²	217	88.5 Å²	88.5	82%	0.819	41%	0.413	S	S	*	.			trans	48.7	39.4	-179.2	-60.8	-174	178.4	-170	-0.1	113.5	R250 I251 I253	R250-R255 PolarHBondContact O-N 3.03Å; I251-R255 WeakPolarHBondContact O-CA 3.34Å; I251-R255 PolarHBondContact O-N 3.3Å; I253-R255 VanDerWaalsContact C-N 3.31Å; I253-R255 PolarHBondContact O-N 2.89Å
256	Q	80.6	Confident	84	Confident	89 Å²	89	84.6 Å²	84.6	42%	0.416	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.1	147.3	175.8	-67.9	-176.6	-40	0	0	110.7	R250 R254	R250-Q256 PolarHBondContact O-N 2.95Å; R250-Q256 VanDerWaalsContact O-N 3.17Å; R254-Q256 HydrophobicContact CB-CG 4.08Å; R254-Q256 PolarHBondContact O-N 3.12Å; R254-Q256 VanDerWaalsContact O-N 3.17Å
257	E	79.2	Confident	84.1	Confident	193 Å²	193	83 Å²	83	90%	0.902	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-63.1	138.5	173.8	-65.4	-175.5	173.6	0	0	110.6	G259	E257-G259 PolarHBondContact O-N 3.34Å
258	L	79.7	Confident	84.3	Confident	50 Å²	50	84.5 Å²	84.5	26%	0.262	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-67.5	116.2	179.6	-73.6	143.6	0	0	0	110.1	W247 I251 E262 K263 L266	W247-L258 HydrophobicContact CH2-CD2 4.32Å; W247-L258 HydrophobicContact CZ2-CD2 4.32Å; I251-L258 HydrophobicContact CD1-CD2 3.9Å; L258-E262 HydrophobicContact CD2-CB 3.73Å; L258-K263 HydrophobicContact CB-CG 3.99Å; L258-K263 VanDerWaalsContact O-CE 3.23Å; L258-K263 WeakPolarHBondContact O-CE 3.47Å; L258-L266 HydrophobicContact CD2-CD1 3.95Å
259	G	84.7	Confident	84.3	Confident	30 Å²	30	86.9 Å²	86.9	31%	0.309	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-66.8	172	171.7	0	0	0	0	0	112.9	E257 A261 E262 K263	E257-G259 PolarHBondContact O-N 3.34Å; G259-A261 VanDerWaalsContact C-N 3.26Å; G259-A261 PolarHBondContact O-N 2.93Å; G259-E262 WeakPolarHBondContact CA-OE2 3.26Å; G259-E262 PolarHBondContact N-OE2 3.3Å; G259-E262 PolarHBondContact O-N 3.49Å; G259-K263 WeakPolarHBondContact O-CG 3.46Å; G259-K263 PolarHBondContact O-N 3.28Å
260	K	86	Confident	84.4	Confident	115 Å²	115	81.5 Å²	81.5	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-37.8	-179	-166.5	176.4	-177.1	175.1	0	111.5	F264 E287 L290	K260-F264 HydrophobicContact CD-CE2 4Å; K260-F264 HydrophobicContact CD-CZ 4.37Å; K260-F264 HydrophobicContact CG-CD2 4.08Å; K260-F264 HydrophobicContact CG-CE2 3.61Å; K260-F264 HydrophobicContact CG-CZ 4.09Å; K260-F264 VanDerWaalsContact O-CD2 3.24Å; K260-F264 WeakPolarHBondContact O-CD2 3.42Å; K260-F264 WeakPolarHBondContact O-CG 3.42Å; K260-F264 PolarHBondContact O-N 2.84Å; K260-E287 IonicContact NZ-OE1 3.99Å; K260-L290 HydrophobicContact CD-CD1 4.24Å; K260-L290 HydrophobicContact CG-CD1 3.93Å
261	A	85.2	Confident	84.4	Confident	71 Å²	71	79 Å²	79	59%	0.587	37%	0.37	S	S	*	.	H	α-helix	trans	-69	-42	-179.4	0	0	0	0	0	112.7	G259 F264 Y265	G259-A261 VanDerWaalsContact C-N 3.26Å; G259-A261 PolarHBondContact O-N 2.93Å; A261-F264 PolarHBondContact O-N 3.22Å; A261-Y265 PolarHBondContact O-N 2.98Å
262	E	85.4	Confident	84.4	Confident	52 Å²	52	83.1 Å²	83.1	24%	0.243	39%	0.388	C	S	.	.	H	α-helix	trans	-67.7	-40.4	177.4	-64.1	80	-177.4	0	0	111.2	W247 I251 L258 G259 Y265 L266	W247-E262 HydrophobicContact CH2-CB 3.84Å; W247-E262 HydrophobicContact CH2-CG 4.21Å; W247-E262 HydrophobicContact CZ3-CB 3.91Å; W247-E262 HydrophobicContact CZ3-CG 3.82Å; I251-E262 HydrophobicContact CD1-CG 4.38Å; L258-E262 HydrophobicContact CD2-CB 3.73Å; G259-E262 WeakPolarHBondContact CA-OE2 3.26Å; G259-E262 PolarHBondContact N-OE2 3.3Å; G259-E262 PolarHBondContact O-N 3.49Å; E262-Y265 WeakPolarHBondContact O-CB 3.14Å; E262-Y265 PolarHBondContact O-N 3.25Å; E262-L266 PolarHBondContact O-N 2.67Å
263	K	88.8	Confident	84.1	Confident	58 Å²	58	79.7 Å²	79.7	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-48.1	172.8	-72.9	175.7	174.7	179.7	0	111.1	L258 G259 Y265 L266 I267 L290 W295	L258-K263 HydrophobicContact CB-CG 3.99Å; L258-K263 VanDerWaalsContact O-CE 3.23Å; L258-K263 WeakPolarHBondContact O-CE 3.47Å; G259-K263 WeakPolarHBondContact O-CG 3.46Å; G259-K263 PolarHBondContact O-N 3.28Å; K263-Y265 VanDerWaalsContact C-N 3.32Å; K263-Y265 PolarHBondContact O-N 3.08Å; K263-L266 PolarHBondContact O-N 3.24Å; K263-I267 VanDerWaalsContact O-CG1 3.26Å; K263-I267 WeakPolarHBondContact O-CG1 3.26Å; K263-I267 PolarHBondContact O-N 2.95Å; K263-L290 HydrophobicContact CB-CD2 3.76Å; K263-L290 HydrophobicContact CD-CD2 4.19Å; K263-W295 HydrophobicContact CB-CD2 4.39Å; K263-W295 HydrophobicContact CB-CE3 4.02Å; K263-W295 HydrophobicContact CD-CD2 4.19Å; K263-W295 HydrophobicContact CD-CE3 3.85Å; K263-W295 HydrophobicContact CD-CH2 4Å; K263-W295 HydrophobicContact CD-CZ2 4.33Å; K263-W295 HydrophobicContact CD-CZ3 3.71Å; K263-W295 HydrophobicContact CG-CD2 3.92Å; K263-W295 HydrophobicContact CG-CE3 3.85Å; K263-W295 HydrophobicContact CG-CG 4.32Å; K263-W295 HydrophobicContact CG-CZ3 4.25Å
264	F	89.4	Confident	83.6	Confident	41 Å²	41	78 Å²	78	18%	0.18	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-38.1	175.6	-73.5	-38.3	0	0	0	113.3	K260 A261 L266 I267 R268 F278 R286 L290	K260-F264 HydrophobicContact CD-CE2 4Å; K260-F264 HydrophobicContact CD-CZ 4.37Å; K260-F264 HydrophobicContact CG-CD2 4.08Å; K260-F264 HydrophobicContact CG-CE2 3.61Å; K260-F264 HydrophobicContact CG-CZ 4.09Å; K260-F264 VanDerWaalsContact O-CD2 3.24Å; K260-F264 WeakPolarHBondContact O-CD2 3.42Å; K260-F264 WeakPolarHBondContact O-CG 3.42Å; K260-F264 PolarHBondContact O-N 2.84Å; A261-F264 PolarHBondContact O-N 3.22Å; F264-L266 PolarHBondContact O-N 3.27Å; F264-I267 HydrophobicContact CD1-CD1 4.32Å; F264-I267 PolarHBondContact O-N 2.89Å; F264-R268 VanDerWaalsContact O-CB 3.25Å; F264-R268 WeakPolarHBondContact O-CB 3.39Å; F264-R268 PolarHBondContact O-N 3.4Å; F264-F278 HydrophobicContact CB-CE1 3.92Å; F264-F278 HydrophobicContact CB-CZ 4.31Å; F264-F278 AromaticContact CD1-CE1 3.73Å; F264-F278 HydrophobicContact CD1-CE1 3.73Å; F264-F278 AromaticContact CD1-CZ 3.62Å; F264-F278 HydrophobicContact CD1-CZ 3.62Å; F264-F278 HydrophobicContact CE1-CE1 4.34Å; F264-F278 HydrophobicContact CE1-CZ 4.2Å; F264-F278 AromaticContact CG-CE1 3.9Å; F264-F278 HydrophobicContact CG-CE1 3.9Å; F264-F278 HydrophobicContact CG-CZ 4.22Å; F264-R286 HydrophobicContact CE1-CB 4.06Å; F264-R286 HydrophobicContact CZ-CB 4.25Å; F264-L290 HydrophobicContact CD1-CD1 4.39Å; F264-L290 HydrophobicContact CD1-CD2 4.04Å; F264-L290 HydrophobicContact CD1-CG 4.21Å; F264-L290 HydrophobicContact CE1-CD1 3.48Å; F264-L290 VanDerWaalsContact CE1-CD1 3.48Å; F264-L290 HydrophobicContact CE1-CD2 3.88Å; F264-L290 HydrophobicContact CE1-CG 3.56Å; F264-L290 HydrophobicContact CE2-CD1 4.37Å; F264-L290 HydrophobicContact CZ-CD1 3.47Å; F264-L290 VanDerWaalsContact CZ-CD1 3.47Å; F264-L290 HydrophobicContact CZ-CG 4.12Å
265	Y	86.8	Confident	83.3	Confident	60 Å²	60	77.1 Å²	77.1	24%	0.235	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-44.8	174.9	174.1	-95.7	0	0	0	112.1	F243 W247 A261 E262 K263 R269	F243-Y265 HydrophobicContact CE1-CE1 4.23Å; F243-Y265 HydrophobicContact CE1-CE2 4.27Å; F243-Y265 AromaticContact CE1-CZ 3.89Å; F243-Y265 HydrophobicContact CZ-CD1 4.38Å; F243-Y265 HydrophobicContact CZ-CD2 4.37Å; F243-Y265 HydrophobicContact CZ-CE1 4.15Å; F243-Y265 HydrophobicContact CZ-CE2 4.15Å; F243-Y265 HydrophobicContact CZ-CG 4.49Å; W247-Y265 AromaticContact CH2-CD1 3.85Å; W247-Y265 HydrophobicContact CH2-CD1 3.85Å; W247-Y265 HydrophobicContact CH2-CE1 4.46Å; W247-Y265 AromaticContact CZ3-CD1 3.88Å; W247-Y265 HydrophobicContact CZ3-CD1 3.88Å; W247-Y265 HydrophobicContact CZ3-CE1 4.43Å; A261-Y265 PolarHBondContact O-N 2.98Å; E262-Y265 WeakPolarHBondContact O-CB 3.14Å; E262-Y265 PolarHBondContact O-N 3.25Å; K263-Y265 VanDerWaalsContact C-N 3.32Å; K263-Y265 PolarHBondContact O-N 3.08Å; Y265-R269 WeakPolarHBondContact O-CB 3.28Å; Y265-R269 PolarHBondContact O-N 2.96Å
266	L	86.8	Confident	82.8	Confident	31 Å²	31	68.6 Å²	68.6	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-67.1	-42.7	177.5	-69.9	174.3	0	0	0	112.3	W247 L258 E262 K263 F264 R269 N270 W295	W247-L266 HydrophobicContact CH2-CD1 4.38Å; W247-L266 HydrophobicContact CH2-CD2 4.28Å; W247-L266 HydrophobicContact CH2-CG 4.07Å; W247-L266 HydrophobicContact CZ2-CD1 4.29Å; W247-L266 HydrophobicContact CZ2-CD2 4.06Å; W247-L266 HydrophobicContact CZ2-CG 4.21Å; L258-L266 HydrophobicContact CD2-CD1 3.95Å; E262-L266 PolarHBondContact O-N 2.67Å; K263-L266 PolarHBondContact O-N 3.24Å; F264-L266 PolarHBondContact O-N 3.27Å; L266-R269 WeakPolarHBondContact O-CB 3.34Å; L266-R269 PolarHBondContact O-N 3.27Å; L266-N270 VanDerWaalsContact O-CG 3.29Å; L266-N270 PolarHBondContact O-N 2.93Å; L266-W295 HydrophobicContact CB-CB 3.71Å; L266-W295 HydrophobicContact CD1-CB 4.06Å
267	I	88.9	Confident	82.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-49.5	175.5	-68.3	166.6	0	0	0	110.2	K263 F264 R269 N270 L271 F278 F289 L290 L294 W295	K263-I267 VanDerWaalsContact O-CG1 3.26Å; K263-I267 WeakPolarHBondContact O-CG1 3.26Å; K263-I267 PolarHBondContact O-N 2.95Å; F264-I267 HydrophobicContact CD1-CD1 4.32Å; F264-I267 PolarHBondContact O-N 2.89Å; I267-R269 VanDerWaalsContact C-N 3.28Å; I267-R269 PolarHBondContact O-N 2.87Å; I267-N270 PolarHBondContact O-N 3.14Å; I267-N270 VanDerWaalsContact O-N 3.15Å; I267-L271 HydrophobicContact CG2-CD1 3.68Å; I267-L271 HydrophobicContact CG2-CG 4.47Å; I267-L271 WeakPolarHBondContact O-CB 3.5Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 3.21Å; I267-F278 HydrophobicContact CG2-CE2 3.83Å; I267-F278 HydrophobicContact CG2-CZ 4.23Å; I267-F289 HydrophobicContact CD1-CB 4.16Å; I267-F289 HydrophobicContact CG2-CB 4.16Å; I267-F289 HydrophobicContact CG2-CD2 4.13Å; I267-F289 HydrophobicContact CG2-CG 4.46Å; I267-L290 HydrophobicContact CD1-CD2 3.9Å; I267-L290 HydrophobicContact CD1-CG 4.48Å; I267-L294 HydrophobicContact CG1-CB 4.1Å; I267-L294 HydrophobicContact CG2-CB 4.48Å; I267-W295 HydrophobicContact CD1-CE3 4.33Å; I267-W295 HydrophobicContact CG1-CB 4.16Å
268	R	87.4	Confident	82.3	Confident	68 Å²	68	57 Å²	57	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-40.5	177.3	-177.5	-178.7	70.1	91.4	-1.3	112	F264 Q272 M273 F278	F264-R268 VanDerWaalsContact O-CB 3.25Å; F264-R268 WeakPolarHBondContact O-CB 3.39Å; F264-R268 PolarHBondContact O-N 3.4Å; R268-Q272 PolarHBondContact O-N 3.38Å; R268-M273 HydrophobicContact CG-CB 4.33Å; R268-M273 WeakPolarHBondContact CG-O 3.43Å; R268-M273 PolarHBondContact NH1-O 2.97Å; R268-M273 PolarHBondContact O-N 3.45Å; R268-M273 VanDerWaalsContact O-N 3.15Å; R268-F278 HydrophobicContact CB-CD2 4.17Å; R268-F278 HydrophobicContact CB-CG 4.25Å; R268-F278 HydrophobicContact CG-CB 4.13Å; R268-F278 HydrophobicContact CG-CD2 4.47Å; R268-F278 HydrophobicContact CG-CG 4.31Å
269	R	86.5	Confident	82.2	Confident	167 Å²	167	58.6 Å²	58.6	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-42.4	176.3	-176.7	-179.1	178.4	-177.6	0.7	111.8	Y265 L266 I267 Q272	Y265-R269 WeakPolarHBondContact O-CB 3.28Å; Y265-R269 PolarHBondContact O-N 2.96Å; L266-R269 WeakPolarHBondContact O-CB 3.34Å; L266-R269 PolarHBondContact O-N 3.27Å; I267-R269 VanDerWaalsContact C-N 3.28Å; I267-R269 PolarHBondContact O-N 2.87Å; R269-Q272 PolarHBondContact O-N 2.81Å
270	N	87.2	Confident	81.4	Confident	32 Å²	32	59.5 Å²	59.5	17%	0.171	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-43.4	178	-71.3	-15	0	0	0	111.5	L266 I267 Q272 L294 W295 F300	L266-N270 VanDerWaalsContact O-CG 3.29Å; L266-N270 PolarHBondContact O-N 2.93Å; I267-N270 PolarHBondContact O-N 3.14Å; I267-N270 VanDerWaalsContact O-N 3.15Å; N270-Q272 PolarHBondContact O-N 3.25Å; N270-L294 PolarHBondContact ND2-O 3.29Å; N270-W295 PolarHBondContact ND2-O 3.36Å; N270-F300 VanDerWaalsContact C-CZ 3.42Å; N270-F300 HydrophobicContact CB-CB 4.44Å; N270-F300 HydrophobicContact CB-CD1 3.83Å; N270-F300 HydrophobicContact CB-CD2 3.82Å; N270-F300 HydrophobicContact CB-CE1 4Å; N270-F300 HydrophobicContact CB-CE2 3.99Å; N270-F300 HydrophobicContact CB-CG 3.73Å; N270-F300 HydrophobicContact CB-CZ 4.08Å; N270-F300 WeakPolarHBondContact O-CE1 3.49Å; N270-F300 WeakPolarHBondContact O-CZ 3.33Å
271	L	84.4	Confident	80.9	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-71.2	-13.9	175.6	-70.9	166.5	0	0	0	114	I267 M273 F278 F289 F300 W303	I267-L271 HydrophobicContact CG2-CD1 3.68Å; I267-L271 HydrophobicContact CG2-CG 4.47Å; I267-L271 WeakPolarHBondContact O-CB 3.5Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 3.21Å; L271-M273 VanDerWaalsContact C-N 3.28Å; L271-M273 HydrophobicContact CB-CG 3.9Å; L271-M273 HydrophobicContact CB-SD 3.83Å; L271-M273 HydrophobicContact CD1-SD 3.89Å; L271-M273 HydrophobicContact CG-SD 4.38Å; L271-M273 PolarHBondContact O-N 3.14Å; L271-F278 HydrophobicContact CD1-CE2 4.37Å; L271-F289 HydrophobicContact CD1-CD2 4.22Å; L271-F289 HydrophobicContact CD1-CE2 3.94Å; L271-F300 HydrophobicContact CD2-CE2 3.72Å; L271-F300 HydrophobicContact CD2-CZ 4.48Å; L271-F300 HydrophobicContact CG-CE2 4.02Å; L271-W303 HydrophobicContact CD2-CH2 4Å; L271-W303 HydrophobicContact CD2-CZ3 3.81Å
272	Q	81.9	Confident	80.6	Confident	127 Å²	127	57.6 Å²	57.6	59%	0.593	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	39.5	-173.3	-39.9	-178	-7.9	0	0	113.8	R268 R269 N270 F349	R268-Q272 PolarHBondContact O-N 3.38Å; R269-Q272 PolarHBondContact O-N 2.81Å; N270-Q272 PolarHBondContact O-N 3.25Å; Q272-F349 HydrophobicContact CB-CD1 3.88Å; Q272-F349 HydrophobicContact CB-CE1 3.61Å; Q272-F349 VanDerWaalsContact CD-CE1 3.45Å; Q272-F349 HydrophobicContact CG-CD1 4.35Å; Q272-F349 HydrophobicContact CG-CE1 3.77Å
273	M	73.7	Confident	80.4	Confident	9 Å²	9	60.1 Å²	60.1	4%	0.044	29%	0.291	C	S	.	.			trans	-95.1	147.1	178.2	-68	171.8	53.7	0	0	111.7	R268 L271 Q277 F278 L281 Y347	R268-M273 HydrophobicContact CG-CB 4.33Å; R268-M273 WeakPolarHBondContact CG-O 3.43Å; R268-M273 PolarHBondContact NH1-O 2.97Å; R268-M273 PolarHBondContact O-N 3.45Å; R268-M273 VanDerWaalsContact O-N 3.15Å; L271-M273 VanDerWaalsContact C-N 3.28Å; L271-M273 HydrophobicContact CB-CG 3.9Å; L271-M273 HydrophobicContact CB-SD 3.83Å; L271-M273 HydrophobicContact CD1-SD 3.89Å; L271-M273 HydrophobicContact CG-SD 4.38Å; L271-M273 PolarHBondContact O-N 3.14Å; M273-Q277 HydrophobicContact CB-CB 4.37Å; M273-Q277 VanDerWaalsContact CE-C 3.45Å; M273-Q277 HydrophobicContact CE-CB 3.9Å; M273-Q277 VanDerWaalsContact CE-O 3.23Å; M273-Q277 WeakPolarHBondContact CE-O 3.43Å; M273-F278 HydrophobicContact CE-CB 4.09Å; M273-F278 HydrophobicContact CE-CD2 4.19Å; M273-F278 HydrophobicContact SD-CD2 4.5Å; M273-L281 HydrophobicContact CE-CD1 3.81Å; M273-L281 HydrophobicContact CE-CG 4.2Å; M273-L281 HydrophobicContact SD-CD1 4.48Å; M273-Y347 HydrophobicContact CE-CD1 4.26Å; M273-Y347 HydrophobicContact CE-CE1 3.23Å; M273-Y347 VanDerWaalsContact CE-CZ 3.45Å; M273-Y347 WeakPolarHBondContact CE-OH 3.48Å; M273-Y347 HydrophobicContact CG-CD1 3.77Å; M273-Y347 HydrophobicContact CG-CE1 3.67Å; M273-Y347 HydrophobicContact SD-CD1 3.95Å; M273-Y347 HydrophobicContact SD-CE1 3.31Å; M273-Y347 WeakPolarHBondContact SD-CE1 3.23Å; M273-Y347 HydrophobicContact SD-CE2 4.06Å; M273-Y347 PolarHBondContact SD-OH 3.44Å
274	S	72.3	Confident	80.2	Confident	50 Å²	50	62.6 Å²	62.6	35%	0.35	30%	0.303	S	S	.	.			trans	-66	159.1	167	69.8	0	0	0	0	110.6	A276 Q277 F278	S274-A276 VanDerWaalsContact C-N 3.29Å; S274-A276 PolarHBondContact O-N 3.13Å; S274-Q277 PolarHBondContact O-N 3.08Å; S274-Q277 WeakPolarHBondContact OG-CB 3.47Å; S274-Q277 VanDerWaalsContact OG-CD 3.29Å; S274-Q277 WeakPolarHBondContact OG-CG 3.38Å; S274-Q277 PolarHBondContact OG-N 3.33Å; S274-Q277 VanDerWaalsContact OG-N 3.17Å; S274-Q277 PolarHBondContact OG-OE1 3.4Å; S274-Q277 VanDerWaalsContact OG-OE1 3.06Å; S274-F278 PolarHBondContact O-N 3.35Å
275	K	75.8	Confident	79.9	Confident	139 Å²	139	64.1 Å²	64.1	60%	0.604	31%	0.311	S	S	*	.	H	α-helix	trans	-58.7	-44.6	176.2	-178	-179.2	175.1	-173	0	111.1	Q277 F278 D279	K275-Q277 PolarHBondContact O-N 2.92Å; K275-F278 PolarHBondContact O-N 3.05Å; K275-F278 VanDerWaalsContact O-N 3.11Å; K275-D279 VanDerWaalsContact CE-OD2 3.29Å; K275-D279 WeakPolarHBondContact CE-OD2 3.15Å; K275-D279 WeakPolarHBondContact CG-OD2 3.49Å; K275-D279 VanDerWaalsContact O-CG 3.32Å; K275-D279 PolarHBondContact O-N 2.83Å
276	A	68.5	Low	79.8	Confident	37 Å²	37	63.7 Å²	63.7	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-57.4	-47.6	177.1	0	0	0	0	0	111.8	S274 F278 D279 C280	S274-A276 VanDerWaalsContact C-N 3.29Å; S274-A276 PolarHBondContact O-N 3.13Å; A276-F278 VanDerWaalsContact C-N 3.27Å; A276-F278 PolarHBondContact O-N 3.09Å; A276-D279 PolarHBondContact O-N 3.27Å; A276-C280 WeakPolarHBondContact O-CB 3.44Å; A276-C280 PolarHBondContact O-N 2.86Å; A276-C280 PolarHBondContact O-SG 3.41Å
277	Q	70.1	Confident	79.8	Confident	33 Å²	33	66.8 Å²	66.8	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-30.3	177.4	-73.1	166.1	-29.2	0	0	113.3	M273 S274 K275 C280	M273-Q277 HydrophobicContact CB-CB 4.37Å; M273-Q277 VanDerWaalsContact CE-C 3.45Å; M273-Q277 HydrophobicContact CE-CB 3.9Å; M273-Q277 VanDerWaalsContact CE-O 3.23Å; M273-Q277 WeakPolarHBondContact CE-O 3.43Å; S274-Q277 PolarHBondContact O-N 3.08Å; S274-Q277 WeakPolarHBondContact OG-CB 3.47Å; S274-Q277 VanDerWaalsContact OG-CD 3.29Å; S274-Q277 WeakPolarHBondContact OG-CG 3.38Å; S274-Q277 PolarHBondContact OG-N 3.33Å; S274-Q277 VanDerWaalsContact OG-N 3.17Å; S274-Q277 PolarHBondContact OG-OE1 3.4Å; S274-Q277 VanDerWaalsContact OG-OE1 3.06Å; K275-Q277 PolarHBondContact O-N 2.92Å; Q277-C280 VanDerWaalsContact O-CB 3.25Å; Q277-C280 WeakPolarHBondContact O-CB 3.28Å
278	F	79.2	Confident	79.8	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-80.1	-40.6	179.2	-170.8	-93.7	0	0	0	112.7	F264 I267 R268 L271 M273 S274 K275 A276 C280 L281 R286 F289	F264-F278 HydrophobicContact CB-CE1 3.92Å; F264-F278 HydrophobicContact CB-CZ 4.31Å; F264-F278 AromaticContact CD1-CE1 3.73Å; F264-F278 HydrophobicContact CD1-CE1 3.73Å; F264-F278 AromaticContact CD1-CZ 3.62Å; F264-F278 HydrophobicContact CD1-CZ 3.62Å; F264-F278 HydrophobicContact CE1-CE1 4.34Å; F264-F278 HydrophobicContact CE1-CZ 4.2Å; F264-F278 AromaticContact CG-CE1 3.9Å; F264-F278 HydrophobicContact CG-CE1 3.9Å; F264-F278 HydrophobicContact CG-CZ 4.22Å; I267-F278 HydrophobicContact CG2-CE2 3.83Å; I267-F278 HydrophobicContact CG2-CZ 4.23Å; R268-F278 HydrophobicContact CB-CD2 4.17Å; R268-F278 HydrophobicContact CB-CG 4.25Å; R268-F278 HydrophobicContact CG-CB 4.13Å; R268-F278 HydrophobicContact CG-CD2 4.47Å; R268-F278 HydrophobicContact CG-CG 4.31Å; L271-F278 HydrophobicContact CD1-CE2 4.37Å; M273-F278 HydrophobicContact CE-CB 4.09Å; M273-F278 HydrophobicContact CE-CD2 4.19Å; M273-F278 HydrophobicContact SD-CD2 4.5Å; S274-F278 PolarHBondContact O-N 3.35Å; K275-F278 PolarHBondContact O-N 3.05Å; K275-F278 VanDerWaalsContact O-N 3.11Å; A276-F278 VanDerWaalsContact C-N 3.27Å; A276-F278 PolarHBondContact O-N 3.09Å; F278-C280 PolarHBondContact O-N 2.94Å; F278-L281 HydrophobicContact CD2-CD1 3.95Å; F278-L281 HydrophobicContact CE2-CD1 4.17Å; F278-L281 WeakPolarHBondContact O-CB 3.36Å; F278-L281 PolarHBondContact O-N 2.67Å; F278-R286 HydrophobicContact CE1-CG 4.45Å; F278-R286 HydrophobicContact CZ-CG 4.36Å; F278-F289 HydrophobicContact CE2-CD2 4.25Å
279	D	77.1	Confident	79.9	Confident	83 Å²	83	66 Å²	66	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-23.6	177.4	-69	-17.6	0	0	0	112.4	K275 A276	K275-D279 VanDerWaalsContact CE-OD2 3.29Å; K275-D279 WeakPolarHBondContact CE-OD2 3.15Å; K275-D279 WeakPolarHBondContact CG-OD2 3.49Å; K275-D279 VanDerWaalsContact O-CG 3.32Å; K275-D279 PolarHBondContact O-N 2.83Å; A276-D279 PolarHBondContact O-N 3.27Å
280	C	67.6	Low	80	Confident	49 Å²	49	59.5 Å²	59.5	33%	0.331	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.9	176.5	-100.2	0	0	0	0	116.2	C212 A276 Q277 F278	C212-C280 HydrophobicContact CB-CB 3.19Å; C212-C280 WeakPolarHBondContact CB-SG 2.93Å; C212-C280 WeakPolarHBondContact SG-CA 3.3Å; C212-C280 WeakPolarHBondContact SG-CB 3.31Å; C212-C280 CovalentContact SG-SG 1.97Å; C212-C280 PolarHBondContact SG-SG 3.19Å; A276-C280 WeakPolarHBondContact O-CB 3.44Å; A276-C280 PolarHBondContact O-N 2.86Å; A276-C280 PolarHBondContact O-SG 3.41Å; Q277-C280 VanDerWaalsContact O-CB 3.25Å; Q277-C280 WeakPolarHBondContact O-CB 3.28Å; F278-C280 PolarHBondContact O-N 2.94Å
281	L	76.2	Confident	80.1	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.094	33%	0.33	C	S	.	.	S	Bend	trans	-71.1	144.7	178.3	-68.1	171.9	0	0	0	110.3	M273 F278 E285 R286 F289 Y347	M273-L281 HydrophobicContact CE-CD1 3.81Å; M273-L281 HydrophobicContact CE-CG 4.2Å; M273-L281 HydrophobicContact SD-CD1 4.48Å; F278-L281 HydrophobicContact CD2-CD1 3.95Å; F278-L281 HydrophobicContact CE2-CD1 4.17Å; F278-L281 WeakPolarHBondContact O-CB 3.36Å; F278-L281 PolarHBondContact O-N 2.67Å; L281-E285 WeakPolarHBondContact CD2-OE2 3.02Å; L281-R286 HydrophobicContact CB-CG 3.73Å; L281-R286 HydrophobicContact CD1-CG 4.48Å; L281-R286 PolarHBondContact O-NE 3.15Å; L281-F289 HydrophobicContact CD1-CE2 3.68Å; L281-Y347 WeakPolarHBondContact CD2-OH 3.25Å
282	E	78.3	Confident	80.3	Confident	128 Å²	128	68.9 Å²	68.9	60%	0.598	35%	0.345	S	S	*	.			trans	-58.8	146.2	175.2	-64.3	-168.8	-166.7	0	0	110.5	H284 E285 R286	E282-H284 VanDerWaalsContact CB-ND1 3.28Å; E282-H284 WeakPolarHBondContact CB-ND1 3.42Å; E282-H284 PolarHBondContact O-N 2.9Å; E282-H284 VanDerWaalsContact O-N 3.16Å; E282-H284 IonicContact OE2-CE1 3.89Å; E282-H284 PolarHBondContact OE2-CE1 3.35Å; E282-H284 IonicContact OE2-ND1 2.62Å; E282-H284 PolarHBondContact OE2-ND1 3Å; E282-E285 HydrophobicContact CB-CG 4.39Å; E282-E285 PolarHBondContact O-N 3.24Å; E282-R286 PolarHBondContact O-N 3.46Å; E282-R286 VanDerWaalsContact O-N 3.13Å
283	D	80.9	Confident	80.7	Confident	106 Å²	106	66.2 Å²	66.2	57%	0.567	33%	0.333	S	S	*	.	H	α-helix	trans	-53.9	-39.8	-177.5	-69.4	-23.5	0	0	0	111.9	E285 R286 E287	D283-E285 PolarHBondContact O-N 3.1Å; D283-R286 PolarHBondContact O-N 3.22Å; D283-R286 IonicContact OD1-CZ 3.75Å; D283-R286 IonicContact OD1-NE 2.81Å; D283-R286 IonicContact OD1-NH2 3.64Å; D283-R286 PolarHBondContact OD1-NH2 2.95Å; D283-E287 WeakPolarHBondContact O-CB 3.45Å; D283-E287 WeakPolarHBondContact O-CG 3.34Å; D283-E287 PolarHBondContact O-N 3.32Å
284	H	85.7	Confident	81.4	Confident	109 Å²	109	65.8 Å²	65.8	51%	0.505	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-38	178.7	83.8	-91.3	0	0	0	112.7	E282 E287 S288	E282-H284 VanDerWaalsContact CB-ND1 3.28Å; E282-H284 WeakPolarHBondContact CB-ND1 3.42Å; E282-H284 PolarHBondContact O-N 2.9Å; E282-H284 VanDerWaalsContact O-N 3.16Å; E282-H284 IonicContact OE2-CE1 3.89Å; E282-H284 PolarHBondContact OE2-CE1 3.35Å; E282-H284 IonicContact OE2-ND1 2.62Å; E282-H284 PolarHBondContact OE2-ND1 3Å; H284-E287 PolarHBondContact O-N 3.15Å; H284-S288 WeakPolarHBondContact O-CB 3.45Å; H284-S288 PolarHBondContact O-N 3.34Å
285	E	83.5	Confident	82.2	Confident	73 Å²	73	65.3 Å²	65.3	34%	0.341	32%	0.321	S	S	.	.	H	α-helix	trans	-68.9	-42.5	177.4	-65.2	-167.2	154.3	0	0	110.5	L281 E282 D283 E287 S288 F289	L281-E285 WeakPolarHBondContact CD2-OE2 3.02Å; E282-E285 HydrophobicContact CB-CG 4.39Å; E282-E285 PolarHBondContact O-N 3.24Å; D283-E285 PolarHBondContact O-N 3.1Å; E285-E287 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 2.98Å; E285-S288 WeakPolarHBondContact O-CB 3.33Å; E285-S288 PolarHBondContact O-N 2.99Å; E285-S288 PolarHBondContact O-OG 2.89Å; E285-F289 WeakPolarHBondContact O-CG 3.28Å; E285-F289 PolarHBondContact O-N 3.42Å; E285-F289 VanDerWaalsContact O-N 3.1Å
286	R	84	Confident	82.8	Confident	52 Å²	52	61.6 Å²	61.6	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-38.2	177.4	-64.1	-168.7	-72	-177.8	-5.8	111.7	F264 F278 L281 E282 D283 F289 L290	F264-R286 HydrophobicContact CE1-CB 4.06Å; F264-R286 HydrophobicContact CZ-CB 4.25Å; F278-R286 HydrophobicContact CE1-CG 4.45Å; F278-R286 HydrophobicContact CZ-CG 4.36Å; L281-R286 HydrophobicContact CB-CG 3.73Å; L281-R286 HydrophobicContact CD1-CG 4.48Å; L281-R286 PolarHBondContact O-NE 3.15Å; E282-R286 PolarHBondContact O-N 3.46Å; E282-R286 VanDerWaalsContact O-N 3.13Å; D283-R286 PolarHBondContact O-N 3.22Å; D283-R286 IonicContact OD1-CZ 3.75Å; D283-R286 IonicContact OD1-NE 2.81Å; D283-R286 IonicContact OD1-NH2 3.64Å; D283-R286 PolarHBondContact OD1-NH2 2.95Å; R286-F289 PolarHBondContact O-N 3.48Å; R286-L290 PolarHBondContact O-N 3.4Å
287	E	87.3	Confident	83.6	Confident	96 Å²	96	66.9 Å²	66.9	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-68.4	-40.7	174.4	-72.4	-177.4	166.7	0	0	111.9	K260 D283 H284 E285 F289 L290 E291	K260-E287 IonicContact NZ-OE1 3.99Å; D283-E287 WeakPolarHBondContact O-CB 3.45Å; D283-E287 WeakPolarHBondContact O-CG 3.34Å; D283-E287 PolarHBondContact O-N 3.32Å; H284-E287 PolarHBondContact O-N 3.15Å; E285-E287 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 2.98Å; E287-F289 PolarHBondContact O-N 2.96Å; E287-L290 WeakPolarHBondContact O-CA 3.47Å; E287-L290 WeakPolarHBondContact O-CB 3.47Å; E287-L290 PolarHBondContact O-N 3.43Å; E287-E291 PolarHBondContact O-N 3.23Å
288	S	88.6	Confident	84.5	Confident	36 Å²	36	72.8 Å²	72.8	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-37	174.2	83.2	0	0	0	0	112.8	H284 E285 L290 E291 Q292	H284-S288 WeakPolarHBondContact O-CB 3.45Å; H284-S288 PolarHBondContact O-N 3.34Å; E285-S288 WeakPolarHBondContact O-CB 3.33Å; E285-S288 PolarHBondContact O-N 2.99Å; E285-S288 PolarHBondContact O-OG 2.89Å; S288-L290 VanDerWaalsContact C-N 3.3Å; S288-L290 PolarHBondContact O-N 3.02Å; S288-E291 PolarHBondContact O-N 3.36Å; S288-Q292 WeakPolarHBondContact O-CB 3.06Å; S288-Q292 VanDerWaalsContact O-CG 3.32Å; S288-Q292 WeakPolarHBondContact O-CG 3.24Å; S288-Q292 PolarHBondContact O-N 3.33Å
289	F	89.8	Confident	85	Confident	15 Å²	15	77 Å²	77	7%	0.066	37%	0.37	C	S	.	.	H	α-helix	trans	-69.5	-29.4	176.9	-62.8	-18.4	0	0	0	112.9	I267 L271 F278 L281 E285 R286 E287 E293 L294 W303	I267-F289 HydrophobicContact CD1-CB 4.16Å; I267-F289 HydrophobicContact CG2-CB 4.16Å; I267-F289 HydrophobicContact CG2-CD2 4.13Å; I267-F289 HydrophobicContact CG2-CG 4.46Å; L271-F289 HydrophobicContact CD1-CD2 4.22Å; L271-F289 HydrophobicContact CD1-CE2 3.94Å; F278-F289 HydrophobicContact CE2-CD2 4.25Å; L281-F289 HydrophobicContact CD1-CE2 3.68Å; E285-F289 WeakPolarHBondContact O-CG 3.28Å; E285-F289 PolarHBondContact O-N 3.42Å; E285-F289 VanDerWaalsContact O-N 3.1Å; R286-F289 PolarHBondContact O-N 3.48Å; E287-F289 PolarHBondContact O-N 2.96Å; F289-E293 PolarHBondContact O-N 3.26Å; F289-L294 HydrophobicContact CB-CD1 3.83Å; F289-L294 HydrophobicContact CB-CG 4.45Å; F289-L294 HydrophobicContact CD1-CD1 3.45Å; F289-L294 VanDerWaalsContact CD1-CD1 3.45Å; F289-L294 HydrophobicContact CE1-CD1 4.21Å; F289-L294 HydrophobicContact CG-CD1 3.77Å; F289-L294 PolarHBondContact O-N 3.46Å; F289-W303 HydrophobicContact CD1-CZ2 4.49Å; F289-W303 HydrophobicContact CE1-CH2 4.36Å; F289-W303 AromaticContact CE1-CZ2 3.82Å; F289-W303 HydrophobicContact CE1-CZ2 3.82Å
290	L	88.7	Confident	85.6	Confident	31 Å²	31	74 Å²	74	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-72.9	-42.9	172.5	-70.6	172.7	0	0	0	111	K260 K263 F264 I267 R286 E287 S288 Q292 E293 W295	K260-L290 HydrophobicContact CD-CD1 4.24Å; K260-L290 HydrophobicContact CG-CD1 3.93Å; K263-L290 HydrophobicContact CB-CD2 3.76Å; K263-L290 HydrophobicContact CD-CD2 4.19Å; F264-L290 HydrophobicContact CD1-CD1 4.39Å; F264-L290 HydrophobicContact CD1-CD2 4.04Å; F264-L290 HydrophobicContact CD1-CG 4.21Å; F264-L290 HydrophobicContact CE1-CD1 3.48Å; F264-L290 VanDerWaalsContact CE1-CD1 3.48Å; F264-L290 HydrophobicContact CE1-CD2 3.88Å; F264-L290 HydrophobicContact CE1-CG 3.56Å; F264-L290 HydrophobicContact CE2-CD1 4.37Å; F264-L290 HydrophobicContact CZ-CD1 3.47Å; F264-L290 VanDerWaalsContact CZ-CD1 3.47Å; F264-L290 HydrophobicContact CZ-CG 4.12Å; I267-L290 HydrophobicContact CD1-CD2 3.9Å; I267-L290 HydrophobicContact CD1-CG 4.48Å; R286-L290 PolarHBondContact O-N 3.4Å; E287-L290 WeakPolarHBondContact O-CA 3.47Å; E287-L290 WeakPolarHBondContact O-CB 3.47Å; E287-L290 PolarHBondContact O-N 3.43Å; S288-L290 VanDerWaalsContact C-N 3.3Å; S288-L290 PolarHBondContact O-N 3.02Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 3.26Å; L290-E293 PolarHBondContact O-N 2.88Å; L290-E293 VanDerWaalsContact O-N 3.14Å; L290-W295 HydrophobicContact CD2-CE3 4.45Å; L290-W295 HydrophobicContact CD2-CZ3 4.24Å; L290-W295 WeakPolarHBondContact O-CZ3 3.33Å
291	E	89.2	Confident	86.5	Confident	160 Å²	160	75.5 Å²	75.5	75%	0.748	36%	0.357	S	S	*	.	H	α-helix	trans	-62.8	-38.1	177.2	-68.9	176.9	175.6	0	0	112.3	E287 S288 E293	E287-E291 PolarHBondContact O-N 3.23Å; S288-E291 PolarHBondContact O-N 3.36Å; E291-E293 PolarHBondContact O-N 3.44Å
292	Q	88	Confident	87.1	Confident	90 Å²	90	77.4 Å²	77.4	42%	0.421	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.6	177.2	-69.8	175.4	-10.8	0	0	114.1	S288 L290 L294	S288-Q292 WeakPolarHBondContact O-CB 3.06Å; S288-Q292 VanDerWaalsContact O-CG 3.32Å; S288-Q292 WeakPolarHBondContact O-CG 3.24Å; S288-Q292 PolarHBondContact O-N 3.33Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 3.26Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-L294 HydrophobicContact CB-CD2 4.04Å; Q292-L294 HydrophobicContact CB-CG 3.96Å; Q292-L294 PolarHBondContact O-N 2.89Å
293	E	89.8	Confident	87.8	Confident	70 Å²	70	73.2 Å²	73.2	33%	0.327	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	40	180	-48.3	-165.2	151.5	0	0	114.7	F289 L290 E291 W295 I296 K299	F289-E293 PolarHBondContact O-N 3.26Å; L290-E293 PolarHBondContact O-N 2.88Å; L290-E293 VanDerWaalsContact O-N 3.14Å; E291-E293 PolarHBondContact O-N 3.44Å; E293-W295 VanDerWaalsContact CA-CZ3 3.48Å; E293-W295 HydrophobicContact CB-CD2 4.37Å; E293-W295 HydrophobicContact CB-CE3 4.3Å; E293-W295 HydrophobicContact CB-CH2 3.63Å; E293-W295 HydrophobicContact CB-CZ2 3.69Å; E293-W295 HydrophobicContact CB-CZ3 3.98Å; E293-W295 HydrophobicContact CG-CH2 3.45Å; E293-W295 VanDerWaalsContact CG-CH2 3.45Å; E293-W295 HydrophobicContact CG-CZ2 3.73Å; E293-W295 HydrophobicContact CG-CZ3 4.14Å; E293-W295 PolarHBondContact O-N 3.36Å; E293-I296 HydrophobicContact CB-CD1 4.42Å; E293-I296 PolarHBondContact O-N 2.85Å; E293-K299 HydrophobicContact CB-CD 3.84Å; E293-K299 IonicContact OE2-NZ 2.89Å; E293-K299 PolarHBondContact OE2-NZ 3.39Å
294	L	89.4	Confident	88.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-1.2	-175.6	-60.5	-177.2	0	0	0	114.6	I267 N270 F289 Q292 I296 W303	I267-L294 HydrophobicContact CG1-CB 4.1Å; I267-L294 HydrophobicContact CG2-CB 4.48Å; N270-L294 PolarHBondContact ND2-O 3.29Å; F289-L294 HydrophobicContact CB-CD1 3.83Å; F289-L294 HydrophobicContact CB-CG 4.45Å; F289-L294 HydrophobicContact CD1-CD1 3.45Å; F289-L294 VanDerWaalsContact CD1-CD1 3.45Å; F289-L294 HydrophobicContact CE1-CD1 4.21Å; F289-L294 HydrophobicContact CG-CD1 3.77Å; F289-L294 PolarHBondContact O-N 3.46Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-L294 HydrophobicContact CB-CD2 4.04Å; Q292-L294 HydrophobicContact CB-CG 3.96Å; Q292-L294 PolarHBondContact O-N 2.89Å; L294-I296 VanDerWaalsContact C-N 3.25Å; L294-W303 HydrophobicContact CD1-CD2 4.03Å; L294-W303 HydrophobicContact CD1-CE3 4.38Å; L294-W303 HydrophobicContact CD1-CG 4.35Å; L294-W303 HydrophobicContact CD1-CZ2 4.33Å; L294-W303 HydrophobicContact CD2-CB 3.55Å; L294-W303 HydrophobicContact CD2-CD2 3.99Å; L294-W303 HydrophobicContact CD2-CE3 4.5Å; L294-W303 HydrophobicContact CD2-CG 3.56Å
295	W	87.9	Confident	88.2	Confident	39 Å²	39	73 Å²	73	15%	0.148	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.6	168.6	65.7	85.6	0	0	0	112.1	K263 L266 I267 N270 L290 E293	K263-W295 HydrophobicContact CB-CD2 4.39Å; K263-W295 HydrophobicContact CB-CE3 4.02Å; K263-W295 HydrophobicContact CD-CD2 4.19Å; K263-W295 HydrophobicContact CD-CE3 3.85Å; K263-W295 HydrophobicContact CD-CH2 4Å; K263-W295 HydrophobicContact CD-CZ2 4.33Å; K263-W295 HydrophobicContact CD-CZ3 3.71Å; K263-W295 HydrophobicContact CG-CD2 3.92Å; K263-W295 HydrophobicContact CG-CE3 3.85Å; K263-W295 HydrophobicContact CG-CG 4.32Å; K263-W295 HydrophobicContact CG-CZ3 4.25Å; L266-W295 HydrophobicContact CB-CB 3.71Å; L266-W295 HydrophobicContact CD1-CB 4.06Å; I267-W295 HydrophobicContact CD1-CE3 4.33Å; I267-W295 HydrophobicContact CG1-CB 4.16Å; N270-W295 PolarHBondContact ND2-O 3.36Å; L290-W295 HydrophobicContact CD2-CE3 4.45Å; L290-W295 HydrophobicContact CD2-CZ3 4.24Å; L290-W295 WeakPolarHBondContact O-CZ3 3.33Å; E293-W295 VanDerWaalsContact CA-CZ3 3.48Å; E293-W295 HydrophobicContact CB-CD2 4.37Å; E293-W295 HydrophobicContact CB-CE3 4.3Å; E293-W295 HydrophobicContact CB-CH2 3.63Å; E293-W295 HydrophobicContact CB-CZ2 3.69Å; E293-W295 HydrophobicContact CB-CZ3 3.98Å; E293-W295 HydrophobicContact CG-CH2 3.45Å; E293-W295 VanDerWaalsContact CG-CH2 3.45Å; E293-W295 HydrophobicContact CG-CZ2 3.73Å; E293-W295 HydrophobicContact CG-CZ3 4.14Å; E293-W295 PolarHBondContact O-N 3.36Å
296	I	88.6	Confident	88.5	Confident	62 Å²	62	74.4 Å²	74.4	32%	0.318	36%	0.355	S	S	.	.	S	Bend	trans	-81.5	121.6	174	-56.3	179.1	0	0	0	108.7	E293 L294 E298 K299 F300	E293-I296 HydrophobicContact CB-CD1 4.42Å; E293-I296 PolarHBondContact O-N 2.85Å; L294-I296 VanDerWaalsContact C-N 3.25Å; I296-E298 VanDerWaalsContact C-N 3.28Å; I296-E298 HydrophobicContact CG2-CB 4.44Å; I296-E298 PolarHBondContact O-N 2.97Å; I296-K299 HydrophobicContact CB-CB 4.31Å; I296-K299 HydrophobicContact CB-CD 4.45Å; I296-K299 HydrophobicContact CB-CG 4.33Å; I296-K299 HydrophobicContact CD1-CD 4.24Å; I296-K299 HydrophobicContact CG2-CG 4.41Å; I296-K299 PolarHBondContact O-N 2.9Å; I296-F300 WeakPolarHBondContact O-CB 3.48Å; I296-F300 PolarHBondContact O-N 3.23Å
297	K	86.1	Confident	88.6	Confident	147 Å²	147	75.2 Å²	75.2	64%	0.639	36%	0.36	S	S	*	.	H	α-helix	trans	-58.2	-37.6	-173.7	-169.8	177.6	179	-174.1	0	113.3	L301	K297-L301 HydrophobicContact CG-CD1 4.43Å; K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.49Å; K297-L301 PolarHBondContact O-N 3.33Å
298	E	88.6	Confident	88.3	Confident	158 Å²	158	74.2 Å²	74.2	74%	0.738	36%	0.355	S	S	*	.	H	α-helix	trans	-67.4	-47.5	179.2	-65.5	175.7	-175.9	0	0	112.1	I296 F300 L301 A302	I296-E298 VanDerWaalsContact C-N 3.28Å; I296-E298 HydrophobicContact CG2-CB 4.44Å; I296-E298 PolarHBondContact O-N 2.97Å; E298-F300 VanDerWaalsContact C-N 3.3Å; E298-F300 PolarHBondContact O-N 3.26Å; E298-L301 PolarHBondContact O-N 2.94Å; E298-A302 PolarHBondContact O-N 3.43Å
299	K	89.5	Confident	88.1	Confident	95 Å²	95	75.2 Å²	75.2	41%	0.413	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-39.4	175.5	-68.8	-171	173.2	-172.2	0	111.6	E293 I296 A302 W303	E293-K299 HydrophobicContact CB-CD 3.84Å; E293-K299 IonicContact OE2-NZ 2.89Å; E293-K299 PolarHBondContact OE2-NZ 3.39Å; I296-K299 HydrophobicContact CB-CB 4.31Å; I296-K299 HydrophobicContact CB-CD 4.45Å; I296-K299 HydrophobicContact CB-CG 4.33Å; I296-K299 HydrophobicContact CD1-CD 4.24Å; I296-K299 HydrophobicContact CG2-CG 4.41Å; I296-K299 PolarHBondContact O-N 2.9Å; K299-A302 PolarHBondContact O-N 2.88Å; K299-W303 VanDerWaalsContact O-CB 3.28Å; K299-W303 WeakPolarHBondContact O-CB 3.37Å; K299-W303 PolarHBondContact O-N 3.12Å
300	F	89.4	Confident	88	Confident	20 Å²	20	80.2 Å²	80.2	9%	0.088	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-44.3	174.2	171	-102.3	0	0	0	112.8	N270 L271 I296 E298 W303 K304	N270-F300 VanDerWaalsContact C-CZ 3.42Å; N270-F300 HydrophobicContact CB-CB 4.44Å; N270-F300 HydrophobicContact CB-CD1 3.83Å; N270-F300 HydrophobicContact CB-CD2 3.82Å; N270-F300 HydrophobicContact CB-CE1 4Å; N270-F300 HydrophobicContact CB-CE2 3.99Å; N270-F300 HydrophobicContact CB-CG 3.73Å; N270-F300 HydrophobicContact CB-CZ 4.08Å; N270-F300 WeakPolarHBondContact O-CE1 3.49Å; N270-F300 WeakPolarHBondContact O-CZ 3.33Å; L271-F300 HydrophobicContact CD2-CE2 3.72Å; L271-F300 HydrophobicContact CD2-CZ 4.48Å; L271-F300 HydrophobicContact CG-CE2 4.02Å; I296-F300 WeakPolarHBondContact O-CB 3.48Å; I296-F300 PolarHBondContact O-N 3.23Å; E298-F300 VanDerWaalsContact C-N 3.3Å; E298-F300 PolarHBondContact O-N 3.26Å; F300-W303 HydrophobicContact CD2-CE3 4.33Å; F300-W303 HydrophobicContact CE2-CE3 4.28Å; F300-W303 HydrophobicContact CE2-CZ3 4.23Å; F300-W303 PolarHBondContact O-N 2.82Å; F300-K304 HydrophobicContact CE1-CD 4.41Å; F300-K304 HydrophobicContact CZ-CD 4.35Å; F300-K304 VanDerWaalsContact O-CB 3.25Å; F300-K304 WeakPolarHBondContact O-CB 3.46Å; F300-K304 PolarHBondContact O-N 3.28Å
301	L	86.4	Confident	87.3	Confident	80 Å²	80	80.2 Å²	80.2	42%	0.419	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-45.2	178	-73	170.2	0	0	0	111.4	K297 E298 K304 E305	K297-L301 HydrophobicContact CG-CD1 4.43Å; K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.49Å; K297-L301 PolarHBondContact O-N 3.33Å; E298-L301 PolarHBondContact O-N 2.94Å; L301-K304 WeakPolarHBondContact O-CB 3.25Å; L301-K304 PolarHBondContact O-N 3.14Å; L301-E305 WeakPolarHBondContact O-CG 3.36Å; L301-E305 PolarHBondContact O-N 2.76Å
302	A	90	Very high	86.8	Confident	57 Å²	57	79.4 Å²	79.4	47%	0.471	38%	0.38	S	S	.	.	H	α-helix	trans	-61.7	-45.3	176.5	0	0	0	0	0	112.3	E298 K299 K304 E305 E306	E298-A302 PolarHBondContact O-N 3.43Å; K299-A302 PolarHBondContact O-N 2.88Å; A302-K304 VanDerWaalsContact C-N 3.31Å; A302-K304 PolarHBondContact O-N 3.16Å; A302-E305 PolarHBondContact O-N 3.01Å; A302-E306 WeakPolarHBondContact O-CB 3.48Å; A302-E306 PolarHBondContact O-N 3.36Å
303	W	91.8	Very high	86.6	Confident	41 Å²	41	77.2 Å²	77.2	16%	0.155	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-42	174.8	173.1	89.7	0	0	0	112.1	L271 F289 L294 K299 F300 E306 K307	L271-W303 HydrophobicContact CD2-CH2 4Å; L271-W303 HydrophobicContact CD2-CZ3 3.81Å; F289-W303 HydrophobicContact CD1-CZ2 4.49Å; F289-W303 HydrophobicContact CE1-CH2 4.36Å; F289-W303 AromaticContact CE1-CZ2 3.82Å; F289-W303 HydrophobicContact CE1-CZ2 3.82Å; L294-W303 HydrophobicContact CD1-CD2 4.03Å; L294-W303 HydrophobicContact CD1-CE3 4.38Å; L294-W303 HydrophobicContact CD1-CG 4.35Å; L294-W303 HydrophobicContact CD1-CZ2 4.33Å; L294-W303 HydrophobicContact CD2-CB 3.55Å; L294-W303 HydrophobicContact CD2-CD2 3.99Å; L294-W303 HydrophobicContact CD2-CE3 4.5Å; L294-W303 HydrophobicContact CD2-CG 3.56Å; K299-W303 VanDerWaalsContact O-CB 3.28Å; K299-W303 WeakPolarHBondContact O-CB 3.37Å; K299-W303 PolarHBondContact O-N 3.12Å; F300-W303 HydrophobicContact CD2-CE3 4.33Å; F300-W303 HydrophobicContact CE2-CE3 4.28Å; F300-W303 HydrophobicContact CE2-CZ3 4.23Å; F300-W303 PolarHBondContact O-N 2.82Å; W303-E306 PolarHBondContact O-N 3.07Å; W303-K307 HydrophobicContact CH2-CD 3.62Å; W303-K307 HydrophobicContact CZ2-CD 3.68Å; W303-K307 HydrophobicContact CZ3-CD 4.22Å; W303-K307 WeakPolarHBondContact O-CB 3.47Å; W303-K307 PolarHBondContact O-N 3.49Å
304	K	89.1	Confident	86.2	Confident	77 Å²	77	81 Å²	81	34%	0.335	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-48.7	178	-179.3	179.8	172.6	-178.2	0	110.3	F300 L301 A302 E306 K307 E308	F300-K304 HydrophobicContact CE1-CD 4.41Å; F300-K304 HydrophobicContact CZ-CD 4.35Å; F300-K304 VanDerWaalsContact O-CB 3.25Å; F300-K304 WeakPolarHBondContact O-CB 3.46Å; F300-K304 PolarHBondContact O-N 3.28Å; L301-K304 WeakPolarHBondContact O-CB 3.25Å; L301-K304 PolarHBondContact O-N 3.14Å; A302-K304 VanDerWaalsContact C-N 3.31Å; A302-K304 PolarHBondContact O-N 3.16Å; K304-E306 VanDerWaalsContact C-N 3.34Å; K304-E306 PolarHBondContact O-N 2.99Å; K304-K307 PolarHBondContact O-N 3.49Å; K304-E308 WeakPolarHBondContact CE-OE1 3.22Å; K304-E308 HydrophobicContact CG-CG 4.36Å; K304-E308 IonicContact NZ-OE1 3.71Å; K304-E308 WeakPolarHBondContact O-CB 3.24Å; K304-E308 VanDerWaalsContact O-CG 3.23Å; K304-E308 WeakPolarHBondContact O-CG 3.12Å; K304-E308 PolarHBondContact O-N 3.3Å
305	E	86.4	Confident	85.5	Confident	134 Å²	134	83.8 Å²	83.8	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-59.6	-42.6	176.7	-72.9	178	179.2	0	0	112.2	L301 A302 E308 A309	L301-E305 WeakPolarHBondContact O-CG 3.36Å; L301-E305 PolarHBondContact O-N 2.76Å; A302-E305 PolarHBondContact O-N 3.01Å; E305-E308 PolarHBondContact O-N 3.45Å; E305-A309 VanDerWaalsContact O-CB 3.26Å; E305-A309 WeakPolarHBondContact O-CB 3.38Å; E305-A309 PolarHBondContact O-N 3.48Å
306	E	89.8	Confident	84.7	Confident	101 Å²	101	85.3 Å²	85.3	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-43.6	177.3	-167.9	-168.8	160.6	0	0	111.8	A302 W303 K304 A309 K310	A302-E306 WeakPolarHBondContact O-CB 3.48Å; A302-E306 PolarHBondContact O-N 3.36Å; W303-E306 PolarHBondContact O-N 3.07Å; K304-E306 VanDerWaalsContact C-N 3.34Å; K304-E306 PolarHBondContact O-N 2.99Å; E306-A309 PolarHBondContact O-N 2.91Å; E306-K310 HydrophobicContact CG-CD 4.37Å; E306-K310 WeakPolarHBondContact O-CB 3.34Å; E306-K310 WeakPolarHBondContact O-CG 3.33Å; E306-K310 PolarHBondContact O-N 3.19Å; E306-K310 VanDerWaalsContact OE1-CE 3.23Å; E306-K310 WeakPolarHBondContact OE1-CE 3.35Å; E306-K310 IonicContact OE1-NZ 2.64Å; E306-K310 PolarHBondContact OE1-NZ 3.2Å
307	K	86.2	Confident	84.2	Confident	70 Å²	70	89 Å²	89	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-45.8	177.9	-170	174.4	-177.7	175.7	0	111.4	W303 K304 A309 K310 E311	W303-K307 HydrophobicContact CH2-CD 3.62Å; W303-K307 HydrophobicContact CZ2-CD 3.68Å; W303-K307 HydrophobicContact CZ3-CD 4.22Å; W303-K307 WeakPolarHBondContact O-CB 3.47Å; W303-K307 PolarHBondContact O-N 3.49Å; K304-K307 PolarHBondContact O-N 3.49Å; K307-A309 VanDerWaalsContact C-N 3.3Å; K307-A309 PolarHBondContact O-N 3.11Å; K307-K310 PolarHBondContact O-N 2.78Å; K307-E311 WeakPolarHBondContact CE-OE1 3.47Å; K307-E311 WeakPolarHBondContact O-CG 3.27Å; K307-E311 PolarHBondContact O-N 3.48Å
308	E	81.1	Confident	83.9	Confident	75 Å²	75	84 Å²	84	35%	0.35	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-38.9	175	-68.9	-177.7	172.3	0	0	111.5	K304 E305 K312 Y345	K304-E308 WeakPolarHBondContact CE-OE1 3.22Å; K304-E308 HydrophobicContact CG-CG 4.36Å; K304-E308 IonicContact NZ-OE1 3.71Å; K304-E308 WeakPolarHBondContact O-CB 3.24Å; K304-E308 VanDerWaalsContact O-CG 3.23Å; K304-E308 WeakPolarHBondContact O-CG 3.12Å; K304-E308 PolarHBondContact O-N 3.3Å; E305-E308 PolarHBondContact O-N 3.45Å; E308-K312 WeakPolarHBondContact O-CB 3.5Å; E308-K312 PolarHBondContact O-N 3.35Å; E308-Y345 HydrophobicContact CG-CE1 4.32Å; E308-Y345 WeakPolarHBondContact CG-OH 2.89Å
309	A	84.9	Confident	83.4	Confident	56 Å²	56	78.6 Å²	78.6	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-44.4	175.9	0	0	0	0	0	112.6	E305 E306 K307 K312 A313	E305-A309 VanDerWaalsContact O-CB 3.26Å; E305-A309 WeakPolarHBondContact O-CB 3.38Å; E305-A309 PolarHBondContact O-N 3.48Å; E306-A309 PolarHBondContact O-N 2.91Å; K307-A309 VanDerWaalsContact C-N 3.3Å; K307-A309 PolarHBondContact O-N 3.11Å; A309-K312 PolarHBondContact O-N 2.7Å; A309-A313 WeakPolarHBondContact O-CB 3.35Å; A309-A313 PolarHBondContact O-N 3.14Å
310	K	87.6	Confident	82.3	Confident	120 Å²	120	81.2 Å²	81.2	52%	0.522	42%	0.418	S	S	.	.	H	α-helix	trans	-60.9	-44.5	175.6	-79.8	171.8	170.7	167.9	0	111.6	E306 K307 A313 K314	E306-K310 HydrophobicContact CG-CD 4.37Å; E306-K310 WeakPolarHBondContact O-CB 3.34Å; E306-K310 WeakPolarHBondContact O-CG 3.33Å; E306-K310 PolarHBondContact O-N 3.19Å; E306-K310 VanDerWaalsContact OE1-CE 3.23Å; E306-K310 WeakPolarHBondContact OE1-CE 3.35Å; E306-K310 IonicContact OE1-NZ 2.64Å; E306-K310 PolarHBondContact OE1-NZ 3.2Å; K307-K310 PolarHBondContact O-N 2.78Å; K310-A313 PolarHBondContact O-N 2.75Å; K310-K314 WeakPolarHBondContact O-CG 3.41Å; K310-K314 PolarHBondContact O-N 2.9Å
311	E	73.8	Confident	81.3	Confident	32 Å²	32	83.4 Å²	83.4	15%	0.15	43%	0.426	C	S	.	.	H	α-helix	trans	-67.4	-41.8	176.9	-74.5	175.4	-170.3	0	0	111.7	K307 A313 K314 L315 P344 Y345	K307-E311 WeakPolarHBondContact CE-OE1 3.47Å; K307-E311 WeakPolarHBondContact O-CG 3.27Å; K307-E311 PolarHBondContact O-N 3.48Å; E311-A313 VanDerWaalsContact C-N 3.28Å; E311-A313 PolarHBondContact O-N 3.45Å; E311-K314 PolarHBondContact O-N 3.13Å; E311-L315 WeakPolarHBondContact O-CB 3.24Å; E311-L315 PolarHBondContact O-N 3.38Å; E311-P344 HydrophobicContact CB-CB 4.47Å; E311-P344 HydrophobicContact CG-CB 4.47Å; E311-Y345 WeakPolarHBondContact OE2-CE1 3.38Å; E311-Y345 VanDerWaalsContact OE2-CZ 3.3Å
312	K	78	Confident	80.7	Confident	143 Å²	143	84.8 Å²	84.8	62%	0.622	43%	0.429	S	S	*	.	H	α-helix	trans	-60	-38	173.1	-174.2	178	-178.4	179.3	0	112	E308 A309 L315 L316	E308-K312 WeakPolarHBondContact O-CB 3.5Å; E308-K312 PolarHBondContact O-N 3.35Å; A309-K312 PolarHBondContact O-N 2.7Å; K312-L315 PolarHBondContact O-N 3.02Å; K312-L316 HydrophobicContact CG-CD1 4.25Å; K312-L316 WeakPolarHBondContact O-CB 3.38Å; K312-L316 WeakPolarHBondContact O-CD1 3.48Å; K312-L316 VanDerWaalsContact O-CG 3.24Å; K312-L316 WeakPolarHBondContact O-CG 3.2Å; K312-L316 PolarHBondContact O-N 3.36Å
313	A	84	Confident	79.7	Confident	44 Å²	44	90.8 Å²	90.8	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-65.8	-47	174.1	0	0	0	0	0	112	A309 K310 E311 L315 L316 E317	A309-A313 WeakPolarHBondContact O-CB 3.35Å; A309-A313 PolarHBondContact O-N 3.14Å; K310-A313 PolarHBondContact O-N 2.75Å; E311-A313 VanDerWaalsContact C-N 3.28Å; E311-A313 PolarHBondContact O-N 3.45Å; A313-L315 VanDerWaalsContact C-N 3.28Å; A313-L315 PolarHBondContact O-N 2.92Å; A313-L316 WeakPolarHBondContact O-CB 3.46Å; A313-L316 PolarHBondContact O-N 3.34Å; A313-L316 VanDerWaalsContact O-N 3.14Å; A313-E317 WeakPolarHBondContact O-CG 3.32Å; A313-E317 PolarHBondContact O-N 2.88Å
314	K	81	Confident	78.6	Confident	150 Å²	150	93.6 Å²	93.6	65%	0.652	46%	0.455	S	S	*	.	H	α-helix	trans	-58.4	-41.1	173	-72	-178.9	-179.6	-178.1	0	111.9	K310 E311 E317 S318	K310-K314 WeakPolarHBondContact O-CG 3.41Å; K310-K314 PolarHBondContact O-N 2.9Å; E311-K314 PolarHBondContact O-N 3.13Å; K314-E317 PolarHBondContact O-N 3.05Å; K314-S318 PolarHBondContact O-N 3.22Å
315	L	74.3	Confident	77.7	Confident	58 Å²	58	94.5 Å²	94.5	30%	0.304	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-42	177.3	-154.4	116.2	0	0	0	110.4	E311 K312 A313 E317 S318 Y321 P344	E311-L315 WeakPolarHBondContact O-CB 3.24Å; E311-L315 PolarHBondContact O-N 3.38Å; K312-L315 PolarHBondContact O-N 3.02Å; A313-L315 VanDerWaalsContact C-N 3.28Å; A313-L315 PolarHBondContact O-N 2.92Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 3.18Å; L315-S318 WeakPolarHBondContact O-CB 3.48Å; L315-S318 PolarHBondContact O-N 2.9Å; L315-S318 PolarHBondContact O-OG 3.44Å; L315-Y321 HydrophobicContact CD2-CD2 3.26Å; L315-Y321 HydrophobicContact CD2-CE2 3.56Å; L315-Y321 HydrophobicContact CD2-CG 3.87Å; L315-Y321 HydrophobicContact CG-CD2 4.24Å; L315-Y321 HydrophobicContact CG-CG 4.47Å; L315-Y321 WeakPolarHBondContact O-CB 3.22Å; L315-P344 HydrophobicContact CD1-CG 3.88Å
316	L	72.8	Confident	77	Confident	71 Å²	71	95.9 Å²	95.9	37%	0.372	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-35.8	173.4	-79.9	160.7	0	0	0	113.2	K312 A313 Y321 K322	K312-L316 HydrophobicContact CG-CD1 4.25Å; K312-L316 WeakPolarHBondContact O-CB 3.38Å; K312-L316 WeakPolarHBondContact O-CD1 3.48Å; K312-L316 VanDerWaalsContact O-CG 3.24Å; K312-L316 WeakPolarHBondContact O-CG 3.2Å; K312-L316 PolarHBondContact O-N 3.36Å; A313-L316 WeakPolarHBondContact O-CB 3.46Å; A313-L316 PolarHBondContact O-N 3.34Å; A313-L316 VanDerWaalsContact O-N 3.14Å; L316-Y321 HydrophobicContact CD2-CD1 4.05Å; L316-Y321 HydrophobicContact CD2-CE1 3.39Å; L316-Y321 HydrophobicContact CG-CD1 4.5Å; L316-Y321 HydrophobicContact CG-CE1 4.07Å; L316-K322 WeakPolarHBondContact O-CE 3.49Å
317	E	77.9	Confident	75.8	Confident	141 Å²	141	95.3 Å²	95.3	66%	0.659	45%	0.453	S	S	*	.	H	α-helix	trans	-73.7	-32.3	176.6	-73.8	177.3	178.9	0	0	112.6	A313 K314 L315 G319 K322	A313-E317 WeakPolarHBondContact O-CG 3.32Å; A313-E317 PolarHBondContact O-N 2.88Å; K314-E317 PolarHBondContact O-N 3.05Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 3.18Å; E317-G319 PolarHBondContact O-N 3.47Å; E317-K322 WeakPolarHBondContact O-CE 3.36Å; E317-K322 PolarHBondContact O-NZ 2.86Å
318	S	78.4	Confident	74.7	Confident	40 Å²	40	98.4 Å²	98.4	28%	0.28	47%	0.47	S	S	.	.	S	Bend	trans	-55	133.4	-178.5	81.3	0	0	0	0	112.2	K314 L315 Q320 Y321 K322	K314-S318 PolarHBondContact O-N 3.22Å; L315-S318 WeakPolarHBondContact O-CB 3.48Å; L315-S318 PolarHBondContact O-N 2.9Å; L315-S318 PolarHBondContact O-OG 3.44Å; S318-Q320 PolarHBondContact O-N 3Å; S318-Y321 PolarHBondContact O-N 3.11Å; S318-Y321 VanDerWaalsContact OG-CB 3.24Å; S318-Y321 WeakPolarHBondContact OG-CB 3.34Å; S318-Y321 PolarHBondContact OG-N 3.25Å; S318-K322 PolarHBondContact O-N 3.49Å
319	G	78	Confident	74.1	Confident	46 Å²	46	104.2 Å²	104.2	47%	0.474	49%	0.489	S	S	.	.	H	α-helix	trans	-60	-32.3	178.4	0	0	0	0	0	112.8	E317 R323	E317-G319 PolarHBondContact O-N 3.47Å; G319-R323 WeakPolarHBondContact O-CG 3.13Å; G319-R323 PolarHBondContact O-N 3.43Å
320	Q	66.6	Low	72.9	Confident	149 Å²	149	112.3 Å²	112.3	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-66	-46.9	177.7	-77.3	179	-24.8	0	0	112.1	S318 K322 R323 M324	S318-Q320 PolarHBondContact O-N 3Å; Q320-K322 PolarHBondContact O-N 3.05Å; Q320-R323 WeakPolarHBondContact O-CB 3.19Å; Q320-R323 PolarHBondContact O-N 3.35Å; Q320-R323 VanDerWaalsContact O-N 3.1Å; Q320-M324 PolarHBondContact O-N 2.9Å
321	Y	70.1	Confident	71	Confident	67 Å²	67	108.9 Å²	108.9	26%	0.263	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-39.3	177.2	-175	-101.2	0	0	0	112.3	L315 L316 S318 R323 M324 K325	L315-Y321 HydrophobicContact CD2-CD2 3.26Å; L315-Y321 HydrophobicContact CD2-CE2 3.56Å; L315-Y321 HydrophobicContact CD2-CG 3.87Å; L315-Y321 HydrophobicContact CG-CD2 4.24Å; L315-Y321 HydrophobicContact CG-CG 4.47Å; L315-Y321 WeakPolarHBondContact O-CB 3.22Å; L316-Y321 HydrophobicContact CD2-CD1 4.05Å; L316-Y321 HydrophobicContact CD2-CE1 3.39Å; L316-Y321 HydrophobicContact CG-CD1 4.5Å; L316-Y321 HydrophobicContact CG-CE1 4.07Å; S318-Y321 PolarHBondContact O-N 3.11Å; S318-Y321 VanDerWaalsContact OG-CB 3.24Å; S318-Y321 WeakPolarHBondContact OG-CB 3.34Å; S318-Y321 PolarHBondContact OG-N 3.25Å; Y321-R323 VanDerWaalsContact C-N 3.25Å; Y321-R323 PolarHBondContact O-N 3.46Å; Y321-M324 HydrophobicContact CD2-CE 4.41Å; Y321-M324 PolarHBondContact O-N 3.1Å; Y321-K325 HydrophobicContact CE1-CD 4.29Å; Y321-K325 WeakPolarHBondContact O-CB 3.36Å; Y321-K325 PolarHBondContact O-N 3.48Å
322	K	73.8	Confident	69.8	Low	108 Å²	108	113.6 Å²	113.6	47%	0.47	54%	0.537	S	S	.	.	H	α-helix	trans	-62.7	-31.1	173.4	-69	177.3	-177.4	165.5	0	112.4	L316 E317 S318 Q320 R326	L316-K322 WeakPolarHBondContact O-CE 3.49Å; E317-K322 WeakPolarHBondContact O-CE 3.36Å; E317-K322 PolarHBondContact O-NZ 2.86Å; S318-K322 PolarHBondContact O-N 3.49Å; Q320-K322 PolarHBondContact O-N 3.05Å; K322-R326 WeakPolarHBondContact O-CG 3.39Å; K322-R326 PolarHBondContact O-N 3.2Å; K322-R326 PolarHBondContact O-NE 3.44Å
323	R	68.7	Low	68.1	Low	184 Å²	184	108.9 Å²	108.9	69%	0.694	53%	0.529	S	S	*	.	H	α-helix	trans	-71.5	-48.3	171.3	-74.5	176.5	-169.2	-166.8	3.5	111.1	G319 Q320 Y321 K325 R326 Y327	G319-R323 WeakPolarHBondContact O-CG 3.13Å; G319-R323 PolarHBondContact O-N 3.43Å; Q320-R323 WeakPolarHBondContact O-CB 3.19Å; Q320-R323 PolarHBondContact O-N 3.35Å; Q320-R323 VanDerWaalsContact O-N 3.1Å; Y321-R323 VanDerWaalsContact C-N 3.25Å; Y321-R323 PolarHBondContact O-N 3.46Å; R323-K325 VanDerWaalsContact C-N 3.35Å; R323-K325 PolarHBondContact O-N 2.89Å; R323-R326 WeakPolarHBondContact O-CB 3.42Å; R323-R326 PolarHBondContact O-N 2.94Å; R323-R326 VanDerWaalsContact O-N 3.14Å; R323-Y327 PolarHBondContact O-N 3.32Å
324	M	68	Low	66.1	Low	100 Å²	100	116.4 Å²	116.4	49%	0.493	56%	0.557	S	S	.	*	H	α-helix	trans	-59.6	-42.3	178.7	-175.6	149.1	67.4	0	0	112.3	Q320 Y321 R326 Y327 M328	Q320-M324 PolarHBondContact O-N 2.9Å; Y321-M324 HydrophobicContact CD2-CE 4.41Å; Y321-M324 PolarHBondContact O-N 3.1Å; M324-R326 PolarHBondContact O-N 2.69Å; M324-Y327 WeakPolarHBondContact O-CB 3.45Å; M324-Y327 PolarHBondContact O-N 3.28Å; M324-M328 WeakPolarHBondContact O-CG 3.42Å; M324-M328 PolarHBondContact O-N 3.24Å
325	K	70.5	Confident	64.3	Low	95 Å²	95	113.5 Å²	113.5	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-67.5	-34.4	176	-166.1	176.3	-177.4	177.7	0	113	Y321 R323 Y327 R329	Y321-K325 HydrophobicContact CE1-CD 4.29Å; Y321-K325 WeakPolarHBondContact O-CB 3.36Å; Y321-K325 PolarHBondContact O-N 3.48Å; R323-K325 VanDerWaalsContact C-N 3.35Å; R323-K325 PolarHBondContact O-N 2.89Å; K325-Y327 VanDerWaalsContact C-N 3.33Å; K325-R329 WeakPolarHBondContact O-CG 3.48Å; K325-R329 PolarHBondContact O-N 2.89Å
326	R	71	Confident	62.6	Low	163 Å²	163	116.8 Å²	116.8	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-37.1	172.1	-85.9	-174.1	-84.7	-170.9	-5.1	111.6	K322 R323 M324	K322-R326 WeakPolarHBondContact O-CG 3.39Å; K322-R326 PolarHBondContact O-N 3.2Å; K322-R326 PolarHBondContact O-NE 3.44Å; R323-R326 WeakPolarHBondContact O-CB 3.42Å; R323-R326 PolarHBondContact O-N 2.94Å; R323-R326 VanDerWaalsContact O-N 3.14Å; M324-R326 PolarHBondContact O-N 2.69Å
327	Y	64.6	Low	60.9	Low	90 Å²	90	120 Å²	120	35%	0.353	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-47.1	175.4	-178.9	-96.5	0	0	0	112	R323 M324 K325 R329 R330 G333 I335	R323-Y327 PolarHBondContact O-N 3.32Å; M324-Y327 WeakPolarHBondContact O-CB 3.45Å; M324-Y327 PolarHBondContact O-N 3.28Å; K325-Y327 VanDerWaalsContact C-N 3.33Å; Y327-R329 PolarHBondContact O-N 3.43Å; Y327-R329 VanDerWaalsContact O-N 3.12Å; Y327-R330 WeakPolarHBondContact O-CB 3.4Å; Y327-R330 PolarHBondContact O-N 2.91Å; Y327-G333 PolarHBondContact OH-O 2.62Å; Y327-G333 VanDerWaalsContact OH-O 3.11Å; Y327-I335 HydrophobicContact CE1-CD1 4.29Å; Y327-I335 HydrophobicContact CE2-CD1 4.01Å; Y327-I335 WeakPolarHBondContact OH-CD1 3.23Å; Y327-I335 WeakPolarHBondContact OH-CG1 3.45Å
328	M	64.1	Low	58.9	Low	134 Å²	134	119.3 Å²	119.3	66%	0.66	59%	0.587	S	S	*	*	H	α-helix	trans	-60.5	-25	178	-68.2	-132.6	-80.8	0	0	113.7	M324 R330	M324-M328 WeakPolarHBondContact O-CG 3.42Å; M324-M328 PolarHBondContact O-N 3.24Å; M328-R330 VanDerWaalsContact C-N 3.33Å
329	R	68.8	Low	57.1	Low	198 Å²	198	124 Å²	124	75%	0.747	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-15.5	173	-74.3	178.8	176	179.7	-2.9	114.2	K325 Y327	K325-R329 WeakPolarHBondContact O-CG 3.48Å; K325-R329 PolarHBondContact O-N 2.89Å; Y327-R329 PolarHBondContact O-N 3.43Å; Y327-R329 VanDerWaalsContact O-N 3.12Å
330	R	59.8	Low	55	Low	225 Å²	225	128.9 Å²	128.9	85%	0.849	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	4.1	-176.2	-80	-175	173	174.2	-3.1	114.9	Y327 M328	Y327-R330 WeakPolarHBondContact O-CB 3.4Å; Y327-R330 PolarHBondContact O-N 2.91Å; M328-R330 VanDerWaalsContact C-N 3.33Å
331	G	47.9	Very low	53.5	Low	49 Å²	49	129.2 Å²	129.2	51%	0.505	63%	0.625	S	S	.	*			trans	91.3	131.4	179.5	0	0	0	0	0	112.1	G333	G331-G333 PolarHBondContact O-N 3.38Å; G331-G333 VanDerWaalsContact O-N 3.14Å
332	V	48.4	Very low	51.8	Low	130 Å²	130	135.5 Å²	135.5	79%	0.788	65%	0.65	S	S	*	*			trans	-85.7	88.6	-164.5	-167.5	0	0	0	0	110.2
333	G	42.4	Very low	50	Low	45 Å²	45	133.7 Å²	133.7	46%	0.464	65%	0.651	S	S	.	*			trans	-85	135.8	158.8	0	0	0	0	0	110.1	Y327 G331 I335	Y327-G333 PolarHBondContact OH-O 2.62Å; Y327-G333 VanDerWaalsContact OH-O 3.11Å; G331-G333 PolarHBondContact O-N 3.38Å; G331-G333 VanDerWaalsContact O-N 3.14Å; G333-I335 PolarHBondContact O-N 3.16Å
334	Q	40.9	Very low	48.6	Very low	201 Å²	201	127.1 Å²	127.1	94%	0.939	63%	0.632	S	S	*	*			trans	-41	116.3	-179.2	-90.8	172.8	-33.6	0	0	113
335	I	43.4	Very low	47.1	Very low	90 Å²	90	126.7 Å²	126.7	46%	0.462	63%	0.625	S	S	.	*			trans	-127.9	115.7	157.1	-63.2	-179.7	0	0	0	107.4	Y327 G333 F337	Y327-I335 HydrophobicContact CE1-CD1 4.29Å; Y327-I335 HydrophobicContact CE2-CD1 4.01Å; Y327-I335 WeakPolarHBondContact OH-CD1 3.23Å; Y327-I335 WeakPolarHBondContact OH-CG1 3.45Å; G333-I335 PolarHBondContact O-N 3.16Å; I335-F337 HydrophobicContact CB-CD2 4.4Å; I335-F337 HydrophobicContact CB-CE2 4.04Å; I335-F337 HydrophobicContact CB-CZ 4.34Å; I335-F337 HydrophobicContact CD1-CZ 4.5Å; I335-F337 HydrophobicContact CG2-CD1 4.14Å; I335-F337 HydrophobicContact CG2-CD2 3.92Å; I335-F337 HydrophobicContact CG2-CE1 4.02Å; I335-F337 HydrophobicContact CG2-CE2 3.79Å; I335-F337 HydrophobicContact CG2-CG 4.09Å; I335-F337 HydrophobicContact CG2-CZ 3.84Å; I335-F337 PolarHBondContact O-N 3.08Å
336	T	37.8	Very low	45.6	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	64%	0.638	S	S	*	*			trans	-69.7	99	157.5	45.2	0	0	0	0	107.2	V338	T336-V338 VanDerWaalsContact C-N 3.33Å; T336-V338 PolarHBondContact O-N 2.89Å
337	F	37.3	Very low	44	Very low	138 Å²	138	122 Å²	122	61%	0.605	62%	0.619	S	S	*	*			trans	-71.9	99	163.5	-70.2	-80.8	0	0	0	107	I335 D339	I335-F337 HydrophobicContact CB-CD2 4.4Å; I335-F337 HydrophobicContact CB-CE2 4.04Å; I335-F337 HydrophobicContact CB-CZ 4.34Å; I335-F337 HydrophobicContact CD1-CZ 4.5Å; I335-F337 HydrophobicContact CG2-CD1 4.14Å; I335-F337 HydrophobicContact CG2-CD2 3.92Å; I335-F337 HydrophobicContact CG2-CE1 4.02Å; I335-F337 HydrophobicContact CG2-CE2 3.79Å; I335-F337 HydrophobicContact CG2-CG 4.09Å; I335-F337 HydrophobicContact CG2-CZ 3.84Å; I335-F337 PolarHBondContact O-N 3.08Å; F337-D339 VanDerWaalsContact C-N 3.29Å; F337-D339 PolarHBondContact O-N 2.9Å
338	V	36.5	Very low	42.7	Very low	128 Å²	128	125.9 Å²	125.9	78%	0.776	64%	0.638	S	S	*	*			trans	-80.8	89.2	156.1	179.4	0	0	0	0	104.1	T336	T336-V338 VanDerWaalsContact C-N 3.33Å; T336-V338 PolarHBondContact O-N 2.89Å
339	D	39.7	Very low	41.3	Very low	139 Å²	139	124.7 Å²	124.7	74%	0.743	63%	0.629	S	S	*	*			trans	-153.2	106.9	166.8	-80.5	-41.1	0	0	0	108.8	F337	F337-D339 VanDerWaalsContact C-N 3.29Å; F337-D339 PolarHBondContact O-N 2.9Å
340	D	34.6	Very low	39.8	Very low	147 Å²	147	117.8 Å²	117.8	79%	0.786	61%	0.61	S	S	*	*			trans	-54.4	164	147.6	-81.5	-50.9	0	0	0	110
341	E	34.5	Very low	38.9	Very low	157 Å²	157	110.6 Å²	110.6	73%	0.734	60%	0.598	S	S	*	*			trans	83.2	75	173.9	-54.1	-175.4	150.5	0	0	117.1
342	Y	35.4	Very low	38.5	Very low	199 Å²	199	113.5 Å²	113.5	78%	0.78	60%	0.602	S	S	*	*				171.7	89.7	120.7	-140.8	-103.6	0	0	0	109.6
343	S	35.8	Very low	38.1	Very low	69 Å²	69	113.3 Å²	113.3	48%	0.483	59%	0.593	S	S	.	*			trans	-94.8	121.8	158	169.7	0	0	0	0	106.7	Y345	S343-Y345 PolarHBondContact O-N 3.34Å; S343-Y345 VanDerWaalsContact O-N 3.08Å; S343-Y345 PolarHBondContact OG-N 3.45Å; S343-Y345 PolarHBondContact OG-O 3.2Å
344	P	39.4	Very low	38	Very low	46 Å²	46	119.6 Å²	119.6	30%	0.299	60%	0.603	S	S	.	*	S	Bend	trans	-62.8	-14.8	178.4	-17.5	30.5	0	0	0	113.1	E311 L315 P346	E311-P344 HydrophobicContact CB-CB 4.47Å; E311-P344 HydrophobicContact CG-CB 4.47Å; L315-P344 HydrophobicContact CD1-CG 3.88Å; P344-P346 WeakPolarHBondContact O-CD 3.27Å
345	Y	37.2	Very low	37.9	Very low	91 Å²	91	115.5 Å²	115.5	36%	0.357	59%	0.586	S	S	.	*			trans	-92.9	117.6	173.6	-51.8	-74.4	0	0	0	110.2	E308 E311 S343 Y347	E308-Y345 HydrophobicContact CG-CE1 4.32Å; E308-Y345 WeakPolarHBondContact CG-OH 2.89Å; E311-Y345 WeakPolarHBondContact OE2-CE1 3.38Å; E311-Y345 VanDerWaalsContact OE2-CZ 3.3Å; S343-Y345 PolarHBondContact O-N 3.34Å; S343-Y345 VanDerWaalsContact O-N 3.08Å; S343-Y345 PolarHBondContact OG-N 3.45Å; S343-Y345 PolarHBondContact OG-O 3.2Å; Y345-Y347 PolarHBondContact O-N 3.41Å
346	P	38.3	Very low	37.6	Very low	105 Å²	105	117.3 Å²	117.3	68%	0.682	59%	0.593	S	S	*	*	S	Bend	trans	-68.2	-5.9	165.2	28.7	-31.8	0	0	0	111.8	P344 K348	P344-P346 WeakPolarHBondContact O-CD 3.27Å; P346-K348 PolarHBondContact O-N 3.34Å
347	Y	38.3	Very low	37.6	Very low	56 Å²	56	117.3 Å²	117.3	22%	0.22	59%	0.586	C	S	.	*			trans	-97.9	82.9	174.5	-60.6	-67.2	0	0	0	110.8	M273 L281 Y345 F349	M273-Y347 HydrophobicContact CE-CD1 4.26Å; M273-Y347 HydrophobicContact CE-CE1 3.23Å; M273-Y347 VanDerWaalsContact CE-CZ 3.45Å; M273-Y347 WeakPolarHBondContact CE-OH 3.48Å; M273-Y347 HydrophobicContact CG-CD1 3.77Å; M273-Y347 HydrophobicContact CG-CE1 3.67Å; M273-Y347 HydrophobicContact SD-CD1 3.95Å; M273-Y347 HydrophobicContact SD-CE1 3.31Å; M273-Y347 WeakPolarHBondContact SD-CE1 3.23Å; M273-Y347 HydrophobicContact SD-CE2 4.06Å; M273-Y347 PolarHBondContact SD-OH 3.44Å; L281-Y347 WeakPolarHBondContact CD2-OH 3.25Å; Y345-Y347 PolarHBondContact O-N 3.41Å; Y347-F349 PolarHBondContact O-N 2.98Å
348	K	36.2	Very low	37.8	Very low	171 Å²	171	116.1 Å²	116.1	74%	0.743	58%	0.58	S	S	*	*			trans	-64.3	105.4	151	-89.9	-179.6	176.2	173.8	0	106.1	P346	P346-K348 PolarHBondContact O-N 3.34Å
349	F	35.7	Very low	38	Very low	108 Å²	108	114.5 Å²	114.5	47%	0.474	57%	0.566	S	S	.	*			trans	-47.5	134.2	167	-72.7	-86.7	0	0	0	107.9	Q272 Y347 A351	Q272-F349 HydrophobicContact CB-CD1 3.88Å; Q272-F349 HydrophobicContact CB-CE1 3.61Å; Q272-F349 VanDerWaalsContact CD-CE1 3.45Å; Q272-F349 HydrophobicContact CG-CD1 4.35Å; Q272-F349 HydrophobicContact CG-CE1 3.77Å; Y347-F349 PolarHBondContact O-N 2.98Å; F349-A351 PolarHBondContact O-N 3.46Å
350	P	36.7	Very low	37.8	Very low	54 Å²	54	115.4 Å²	115.4	35%	0.351	56%	0.564	S	S	.	*			trans	-53.7	115.3	-175.8	-18.5	28	0	0	0	109.4	D352 H353	P350-D352 WeakPolarHBondContact CA-OD1 3.34Å; P350-D352 WeakPolarHBondContact CB-OD1 3.02Å; P350-D352 WeakPolarHBondContact CB-OD2 3.37Å; P350-D352 PolarHBondContact O-N 3.34Å; P350-H353 PolarHBondContact O-N 2.93Å
351	A	40.7	Very low	37.8	Very low	73 Å²	73	112 Å²	112	60%	0.603	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	1.8	178.2	0	0	0	0	0	112.4	F349 H353 W354 L355	F349-A351 PolarHBondContact O-N 3.46Å; A351-H353 PolarHBondContact O-N 3.21Å; A351-W354 CarbonylContact O-C 3.57Å; A351-W354 VanDerWaalsContact O-CA 3.31Å; A351-W354 WeakPolarHBondContact O-CA 3.32Å; A351-W354 WeakPolarHBondContact O-CB 3.42Å; A351-W354 PolarHBondContact O-N 3.06Å; A351-L355 PolarHBondContact O-N 3.04Å; A351-L355 VanDerWaalsContact O-N 3.08Å
352	D	40.1	Very low	37.8	Very low	110 Å²	110	113.2 Å²	113.2	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-65.5	-23.2	173	19.9	-50.2	0	0	0	112.5	P350 W354 Q356	P350-D352 WeakPolarHBondContact CA-OD1 3.34Å; P350-D352 WeakPolarHBondContact CB-OD1 3.02Å; P350-D352 WeakPolarHBondContact CB-OD2 3.37Å; P350-D352 PolarHBondContact O-N 3.34Å; D352-W354 VanDerWaalsContact C-N 3.32Å; D352-Q356 WeakPolarHBondContact O-CG 3.19Å; D352-Q356 PolarHBondContact O-N 3.28Å; D352-Q356 VanDerWaalsContact O-N 3.09Å
353	H	39.1	Very low	37.9	Very low	127 Å²	127	109.2 Å²	109.2	59%	0.588	55%	0.551	S	S	*	*	H	α-helix	trans	-74.8	-24.7	165.9	-140	-70.2	0	0	0	112.2	P350 A351 M357	P350-H353 PolarHBondContact O-N 2.93Å; A351-H353 PolarHBondContact O-N 3.21Å; H353-M357 VanDerWaalsContact O-CB 3.24Å; H353-M357 WeakPolarHBondContact O-CB 3.35Å; H353-M357 WeakPolarHBondContact O-CG 3.23Å; H353-M357 PolarHBondContact O-N 3.44Å
354	W	39.6	Very low	37.8	Very low	177 Å²	177	109.6 Å²	109.6	67%	0.67	55%	0.553	S	S	*	*	H	α-helix	trans	-74.5	-33.5	173.4	-115.5	76.2	0	0	0	111.8	A351 D352 K358	A351-W354 CarbonylContact O-C 3.57Å; A351-W354 VanDerWaalsContact O-CA 3.31Å; A351-W354 WeakPolarHBondContact O-CA 3.32Å; A351-W354 WeakPolarHBondContact O-CB 3.42Å; A351-W354 PolarHBondContact O-N 3.06Å; D352-W354 VanDerWaalsContact C-N 3.32Å; W354-K358 HydrophobicContact CE3-CD 3.97Å; W354-K358 VanDerWaalsContact CE3-CE 3.49Å; W354-K358 HydrophobicContact CE3-CG 4.45Å; W354-K358 HydrophobicContact CZ3-CD 4.25Å; W354-K358 VanDerWaalsContact O-CB 3.23Å; W354-K358 WeakPolarHBondContact O-CB 3.36Å; W354-K358 WeakPolarHBondContact O-CG 3.11Å; W354-K358 PolarHBondContact O-N 3.39Å
355	L	38.8	Very low	37.6	Very low	114 Å²	114	116.1 Å²	116.1	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-73.9	-39.4	173.5	-142.5	87.3	0	0	0	111.4	A351 K358 I359	A351-L355 PolarHBondContact O-N 3.04Å; A351-L355 VanDerWaalsContact O-N 3.08Å; L355-K358 PolarHBondContact O-N 2.98Å; L355-I359 HydrophobicContact CD2-CD1 3.98Å; L355-I359 HydrophobicContact CG-CD1 4.08Å; L355-I359 VanDerWaalsContact O-CB 3.27Å; L355-I359 WeakPolarHBondContact O-CB 3.47Å; L355-I359 WeakPolarHBondContact O-CD1 3.26Å; L355-I359 WeakPolarHBondContact O-CG1 3.35Å; L355-I359 PolarHBondContact O-N 3.18Å
356	Q	38	Very low	38.1	Very low	129 Å²	129	121.4 Å²	121.4	60%	0.603	60%	0.604	S	S	*	*	H	α-helix	trans	-66.1	-40.8	173.2	-75.3	179.4	-2.7	0	0	111.9	D352 I359 F360	D352-Q356 WeakPolarHBondContact O-CG 3.19Å; D352-Q356 PolarHBondContact O-N 3.28Å; D352-Q356 VanDerWaalsContact O-N 3.09Å; Q356-I359 PolarHBondContact O-N 3.17Å; Q356-F360 WeakPolarHBondContact O-CB 3.5Å; Q356-F360 PolarHBondContact O-N 2.94Å
357	M	38.6	Very low	39.3	Very low	126 Å²	126	120 Å²	120	62%	0.621	60%	0.601	S	S	*	*	H	α-helix	trans	-68.4	-34.7	174.6	-71.5	-77.4	-86.9	0	0	112.6	H353 S361	H353-M357 VanDerWaalsContact O-CB 3.24Å; H353-M357 WeakPolarHBondContact O-CB 3.35Å; H353-M357 WeakPolarHBondContact O-CG 3.23Å; H353-M357 PolarHBondContact O-N 3.44Å; M357-S361 VanDerWaalsContact O-CB 3.28Å; M357-S361 WeakPolarHBondContact O-CB 3.24Å; M357-S361 PolarHBondContact O-N 2.89Å
358	K	39.7	Very low	41.2	Very low	113 Å²	113	119.8 Å²	119.8	49%	0.491	61%	0.606	S	S	.	*	H	α-helix	trans	-75.2	-35.6	173.7	-83.7	-177.7	167	179.4	0	113.2	W354 L355 F360 S361 F362	W354-K358 HydrophobicContact CE3-CD 3.97Å; W354-K358 VanDerWaalsContact CE3-CE 3.49Å; W354-K358 HydrophobicContact CE3-CG 4.45Å; W354-K358 HydrophobicContact CZ3-CD 4.25Å; W354-K358 VanDerWaalsContact O-CB 3.23Å; W354-K358 WeakPolarHBondContact O-CB 3.36Å; W354-K358 WeakPolarHBondContact O-CG 3.11Å; W354-K358 PolarHBondContact O-N 3.39Å; L355-K358 PolarHBondContact O-N 2.98Å; K358-F360 VanDerWaalsContact C-N 3.35Å; K358-S361 CarbonylContact O-C 3.57Å; K358-S361 PolarHBondContact O-N 3.2Å; K358-S361 PolarHBondContact O-OG 2.86Å; K358-F362 WeakPolarHBondContact O-CB 3.08Å; K358-F362 PolarHBondContact O-N 3.38Å
359	I	41.7	Very low	43.6	Very low	94 Å²	94	119.2 Å²	119.2	48%	0.482	60%	0.603	S	S	.	*	H	α-helix	trans	-69.2	-38.5	173.8	-68.3	164.3	0	0	0	109	L355 Q356 F362 V363	L355-I359 HydrophobicContact CD2-CD1 3.98Å; L355-I359 HydrophobicContact CG-CD1 4.08Å; L355-I359 VanDerWaalsContact O-CB 3.27Å; L355-I359 WeakPolarHBondContact O-CB 3.47Å; L355-I359 WeakPolarHBondContact O-CD1 3.26Å; L355-I359 WeakPolarHBondContact O-CG1 3.35Å; L355-I359 PolarHBondContact O-N 3.18Å; Q356-I359 PolarHBondContact O-N 3.17Å; I359-F362 PolarHBondContact O-N 3.23Å; I359-V363 HydrophobicContact CG2-CG2 4.07Å; I359-V363 WeakPolarHBondContact O-CB 3.07Å; I359-V363 WeakPolarHBondContact O-CG2 3.45Å; I359-V363 PolarHBondContact O-N 3.47Å
360	F	35	Very low	46.2	Very low	157 Å²	157	115 Å²	115	69%	0.689	59%	0.587	S	S	*	*	H	α-helix	trans	-64.1	-37.9	168.8	-128.4	-99.2	0	0	0	112	Q356 K358 C364	Q356-F360 WeakPolarHBondContact O-CB 3.5Å; Q356-F360 PolarHBondContact O-N 2.94Å; K358-F360 VanDerWaalsContact C-N 3.35Å; F360-C364 WeakPolarHBondContact O-CB 3.38Å; F360-C364 PolarHBondContact O-N 2.86Å; F360-C364 VanDerWaalsContact O-N 3.09Å; F360-C364 PolarHBondContact O-SG 3.31Å
361	S	34.4	Very low	48.9	Very low	77 Å²	77	113.9 Å²	113.9	54%	0.538	58%	0.577	S	S	.	*	H	α-helix	trans	-79.3	-12.9	176.7	97.5	0	0	0	0	114.9	M357 K358	M357-S361 VanDerWaalsContact O-CB 3.28Å; M357-S361 WeakPolarHBondContact O-CB 3.24Å; M357-S361 PolarHBondContact O-N 2.89Å; K358-S361 CarbonylContact O-C 3.57Å; K358-S361 PolarHBondContact O-N 3.2Å; K358-S361 PolarHBondContact O-OG 2.86Å
362	F	34.8	Very low	51.5	Low	181 Å²	181	110.9 Å²	110.9	79%	0.794	55%	0.552	S	S	*	*	H	α-helix	trans	-102.5	-28.3	179.9	-162.6	-94.4	0	0	0	111.2	K358 I359	K358-F362 WeakPolarHBondContact O-CB 3.08Å; K358-F362 PolarHBondContact O-N 3.38Å; I359-F362 PolarHBondContact O-N 3.23Å
363	V	38.7	Very low	54	Low	116 Å²	116	108.4 Å²	108.4	70%	0.703	54%	0.543	S	S	*	.	H	α-helix	trans	-84.6	-26.5	173.1	176.7	0	0	0	0	111.8	I359 Q365	I359-V363 HydrophobicContact CG2-CG2 4.07Å; I359-V363 WeakPolarHBondContact O-CB 3.07Å; I359-V363 WeakPolarHBondContact O-CG2 3.45Å; I359-V363 PolarHBondContact O-N 3.47Å; V363-Q365 PolarHBondContact O-N 2.85Å
364	C	32.8	Very low	56.5	Low	76 Å²	76	102.5 Å²	102.5	51%	0.514	52%	0.516	S	S	.	.	S	Bend	trans	-71.1	95.8	155.7	-68.2	0	0	0	0	107.7	F360 K366	F360-C364 WeakPolarHBondContact O-CB 3.38Å; F360-C364 PolarHBondContact O-N 2.86Å; F360-C364 VanDerWaalsContact O-N 3.09Å; F360-C364 PolarHBondContact O-SG 3.31Å; C364-K366 PolarHBondContact O-N 2.65Å
365	Q	34.7	Very low	59.1	Low	184 Å²	184	98.2 Å²	98.2	86%	0.86	51%	0.507	S	S	*	.			trans	-40.2	115.1	161.7	-92.1	178.5	-11.9	0	0	107.6	V363 A367	V363-Q365 PolarHBondContact O-N 2.85Å; Q365-A367 VanDerWaalsContact C-N 3.31Å; Q365-A367 PolarHBondContact O-N 2.66Å
366	K	48.9	Very low	61.7	Low	202 Å²	202	96.2 Å²	96.2	88%	0.878	49%	0.491	S	S	*	.			trans	-48.5	92.3	-168.8	-148.6	-179.1	-167.6	-179	0	109.5	C364 V368	C364-K366 PolarHBondContact O-N 2.65Å; K366-V368 PolarHBondContact O-N 2.81Å
367	A	62.1	Low	64.4	Low	74 Å²	74	90 Å²	90	61%	0.612	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58	127.3	-177.9	0	0	0	0	0	107.1	Q365 K369	Q365-A367 VanDerWaalsContact C-N 3.31Å; Q365-A367 PolarHBondContact O-N 2.66Å; A367-K369 PolarHBondContact O-N 3.45Å
368	V	77.9	Confident	66.9	Low	53 Å²	53	85.4 Å²	85.4	32%	0.321	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-62.5	124.8	-178.9	177.3	0	0	0	0	107.4	K366 K477 S479	K366-V368 PolarHBondContact O-N 2.81Å; V368-K477 HydrophobicContact CG2-CB 4.33Å; V368-K477 HydrophobicContact CG2-CG 4.04Å; V368-S479 WeakPolarHBondContact CG1-OG 3.41Å
369	K	87.9	Confident	69.4	Low	158 Å²	158	86 Å²	86	69%	0.687	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-63.2	134.6	-178.5	-66.7	-175.3	178	-175.2	0	109.2	A367 L371 S479	A367-K369 PolarHBondContact O-N 3.45Å; K369-L371 PolarHBondContact O-N 2.89Å; K369-S479 WeakPolarHBondContact O-CB 3.14Å; K369-S479 PolarHBondContact O-OG 3.28Å
370	P	90.3	Very high	71.8	Confident	21 Å²	21	84.5 Å²	84.5	14%	0.136	44%	0.443	C	S	.	.	S	Bend	trans	-65.5	-24.9	178	26.5	-35.5	0	0	0	112.3	W467 S479 V480 L610 N613 V614	P370-W467 HydrophobicContact CB-CZ2 4.1Å; P370-S479 CarbonylContact O-C 3.53Å; P370-S479 WeakPolarHBondContact O-CA 3.46Å; P370-V480 PolarHBondContact O-N 2.97Å; P370-L610 HydrophobicContact CB-CD1 3.78Å; P370-N613 WeakPolarHBondContact CB-OD1 3.32Å; P370-N613 WeakPolarHBondContact CG-OD1 3.35Å; P370-V614 HydrophobicContact CB-CG2 4.5Å; P370-V614 HydrophobicContact CG-CG2 3.82Å
371	L	93.2	Very high	74.4	Confident	29 Å²	29	78.8 Å²	78.8	15%	0.152	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.5	177.5	-65	179.9	0	0	0	111.8	K369 V480 I574 L610 V614	K369-L371 PolarHBondContact O-N 2.89Å; L371-V480 WeakPolarHBondContact CA-O 3.39Å; L371-V480 HydrophobicContact CD2-CB 4.02Å; L371-V480 HydrophobicContact CD2-CG1 4.44Å; L371-I574 HydrophobicContact CD1-CB 4.3Å; L371-I574 HydrophobicContact CD1-CD1 3.77Å; L371-I574 HydrophobicContact CD1-CG2 4.3Å; L371-I574 HydrophobicContact CD2-CD1 3.56Å; L371-I574 HydrophobicContact CG-CD1 4.32Å; L371-L610 HydrophobicContact CD2-CD1 4.43Å; L371-L610 HydrophobicContact CD2-CD2 4.07Å; L371-L610 HydrophobicContact CD2-CG 4.4Å; L371-V614 HydrophobicContact CD1-CG1 4.35Å; L371-V614 HydrophobicContact CD1-CG2 3.47Å; L371-V614 VanDerWaalsContact CD1-CG2 3.47Å; L371-V614 HydrophobicContact CG-CG2 3.7Å
372	V	94.3	Very high	76.9	Confident	11 Å²	11	80 Å²	80	7%	0.067	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.5	170.7	-67.8	0	0	0	0	110.4	W376 V449 V480 L481 N482	V372-W376 HydrophobicContact CB-CD2 4.15Å; V372-W376 HydrophobicContact CB-CE3 3.61Å; V372-W376 HydrophobicContact CB-CZ3 4.18Å; V372-W376 HydrophobicContact CG1-CD2 3.93Å; V372-W376 HydrophobicContact CG1-CE3 3.55Å; V372-W376 HydrophobicContact CG1-CH2 4.33Å; V372-W376 HydrophobicContact CG1-CZ3 3.78Å; V372-W376 HydrophobicContact CG2-CE3 4.16Å; V372-W376 HydrophobicContact CG2-CZ3 4.43Å; V372-V449 HydrophobicContact CG2-CG1 3.74Å; V372-V449 HydrophobicContact CG2-CG2 4.21Å; V372-V480 PolarHBondContact N-O 3.44Å; V372-L481 HydrophobicContact CG2-CD1 4.41Å; V372-N482 PolarHBondContact O-N 2.98Å
373	S	93.3	Very high	79.5	Confident	57 Å²	57	74 Å²	74	40%	0.399	40%	0.404	S	S	.	.			trans	-82.1	161	175.2	64.5	0	0	0	0	111.3	D375 W376 L377	S373-D375 VanDerWaalsContact C-N 3.27Å; S373-D375 PolarHBondContact O-N 3.19Å; S373-W376 PolarHBondContact O-N 3.46Å; S373-W376 WeakPolarHBondContact OG-CB 3.43Å; S373-W376 PolarHBondContact OG-N 3.1Å; S373-W376 VanDerWaalsContact OG-N 3.17Å; S373-L377 PolarHBondContact O-N 2.9Å
374	A	92.7	Very high	81.7	Confident	3 Å²	3	73.4 Å²	73.4	3%	0.025	40%	0.403	C	S	.	.	H	α-helix	trans	-62.5	-34.4	173.1	0	0	0	0	0	112.4	L377 A378 L481 W488 Q491	A374-L377 PolarHBondContact O-N 2.93Å; A374-A378 WeakPolarHBondContact O-CB 3.41Å; A374-A378 PolarHBondContact O-N 3.11Å; A374-L481 HydrophobicContact CB-CD1 4.44Å; A374-W488 HydrophobicContact CB-CE3 3.84Å; A374-W488 HydrophobicContact CB-CZ3 4.21Å; A374-W488 WeakPolarHBondContact O-CZ3 3.36Å; A374-Q491 VanDerWaalsContact CB-OE1 3.27Å
375	D	93	Very high	84.4	Confident	88 Å²	88	72.8 Å²	72.8	47%	0.471	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-49.7	172	-62.1	-60	0	0	0	111.5	S373 L377 A378 D379 R493	S373-D375 VanDerWaalsContact C-N 3.27Å; S373-D375 PolarHBondContact O-N 3.19Å; D375-L377 VanDerWaalsContact C-N 3.31Å; D375-L377 PolarHBondContact O-N 3.2Å; D375-A378 WeakPolarHBondContact O-CB 3.49Å; D375-A378 PolarHBondContact O-N 3.33Å; D375-A378 VanDerWaalsContact O-N 3.17Å; D375-D379 PolarHBondContact O-N 2.61Å; D375-R493 IonicContact OD1-CZ 2.91Å; D375-R493 IonicContact OD1-NH2 2.87Å; D375-R493 PolarHBondContact OD1-NH2 3.08Å
376	W	93.8	Very high	87.1	Confident	71 Å²	71	64.7 Å²	64.7	27%	0.269	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-43.8	-179.9	-177.7	89.9	0	0	0	111.5	V372 S373 A378 D379 H380 L386 H447 V449	V372-W376 HydrophobicContact CB-CD2 4.15Å; V372-W376 HydrophobicContact CB-CE3 3.61Å; V372-W376 HydrophobicContact CB-CZ3 4.18Å; V372-W376 HydrophobicContact CG1-CD2 3.93Å; V372-W376 HydrophobicContact CG1-CE3 3.55Å; V372-W376 HydrophobicContact CG1-CH2 4.33Å; V372-W376 HydrophobicContact CG1-CZ3 3.78Å; V372-W376 HydrophobicContact CG2-CE3 4.16Å; V372-W376 HydrophobicContact CG2-CZ3 4.43Å; S373-W376 PolarHBondContact O-N 3.46Å; S373-W376 WeakPolarHBondContact OG-CB 3.43Å; S373-W376 PolarHBondContact OG-N 3.1Å; S373-W376 VanDerWaalsContact OG-N 3.17Å; W376-A378 VanDerWaalsContact C-N 3.33Å; W376-A378 PolarHBondContact O-N 3.46Å; W376-D379 PolarHBondContact O-N 3.43Å; W376-H380 AromaticContact CD1-CE1 3.57Å; W376-H380 AromaticContact CD1-ND1 3.84Å; W376-H380 AromaticContact CD2-ND1 3.77Å; W376-H380 AromaticContact CE2-CE1 3.57Å; W376-H380 AromaticContact CE2-CG 3.93Å; W376-H380 AromaticContact CE2-ND1 3.55Å; W376-H380 AromaticContact CE2-NE2 3.9Å; W376-H380 AromaticContact CG-ND1 3.96Å; W376-H380 HydrophobicContact CH2-CB 4.34Å; W376-H380 AromaticContact CZ2-CD2 3.87Å; W376-H380 AromaticContact CZ2-CG 3.88Å; W376-H380 AromaticContact CZ2-ND1 4Å; W376-H380 AromaticContact CZ2-NE2 3.98Å; W376-H380 HydrophobicContact CZ3-CB 4.42Å; W376-H380 AromaticContact NE1-CE1 3.18Å; W376-H380 PolarHBondContact NE1-CE1 3.36Å; W376-H380 AromaticContact NE1-ND1 3.6Å; W376-H380 AromaticContact NE1-NE2 3.66Å; W376-H380 PolarHBondContact O-N 3.17Å; W376-H380 PolarHBondContact O-ND1 3.04Å; W376-L386 HydrophobicContact CH2-CD1 4.34Å; W376-L386 HydrophobicContact CZ3-CD1 4.35Å; W376-H447 AromaticContact CH2-CE1 3.36Å; W376-H447 WeakPolarHBondContact CH2-CE1 3.46Å; W376-H447 AromaticContact CH2-ND1 3.49Å; W376-H447 WeakPolarHBondContact CH2-ND1 3.31Å; W376-H447 AromaticContact CZ2-CE1 3.89Å; W376-V449 HydrophobicContact CZ3-CG2 3.98Å
377	L	93.7	Very high	89.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-42.3	178.9	179.1	61.3	0	0	0	111	S373 A374 D375 D379 H380 L381 L386 I388 I404 V449 L481 W488	S373-L377 PolarHBondContact O-N 2.9Å; A374-L377 PolarHBondContact O-N 2.93Å; D375-L377 VanDerWaalsContact C-N 3.31Å; D375-L377 PolarHBondContact O-N 3.2Å; L377-D379 PolarHBondContact O-N 2.86Å; L377-H380 CarbonylContact O-C 3.54Å; L377-H380 PolarHBondContact O-N 3.37Å; L377-L381 HydrophobicContact CD1-CD2 4.39Å; L377-L381 HydrophobicContact CG-CD2 4.36Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.47Å; L377-L381 VanDerWaalsContact O-N 3.11Å; L377-L386 HydrophobicContact CD1-CD2 3.82Å; L377-I388 HydrophobicContact CD1-CD1 3.86Å; L377-I388 HydrophobicContact CD1-CG1 4.15Å; L377-I404 HydrophobicContact CD2-CD1 3.96Å; L377-I404 HydrophobicContact CD2-CG2 4.42Å; L377-V449 HydrophobicContact CD1-CB 4.48Å; L377-V449 HydrophobicContact CD1-CG1 4.23Å; L377-V449 HydrophobicContact CD2-CG1 4.4Å; L377-L481 HydrophobicContact CB-CD1 4.18Å; L377-L481 HydrophobicContact CD2-CD1 3.9Å; L377-L481 HydrophobicContact CD2-CD2 3.89Å; L377-L481 HydrophobicContact CD2-CG 4.43Å; L377-W488 HydrophobicContact CB-CZ3 3.95Å; L377-W488 HydrophobicContact CD2-CE3 4.21Å; L377-W488 HydrophobicContact CD2-CH2 4.3Å; L377-W488 HydrophobicContact CD2-CZ3 3.78Å; L377-W488 HydrophobicContact CG-CH2 4.25Å; L377-W488 HydrophobicContact CG-CZ3 3.93Å
378	A	92.2	Very high	90.6	Very high	29 Å²	29	55 Å²	55	24%	0.24	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-43.2	177.3	0	0	0	0	0	112.6	A374 D375 W376 H380 L381 W488	A374-A378 WeakPolarHBondContact O-CB 3.41Å; A374-A378 PolarHBondContact O-N 3.11Å; D375-A378 WeakPolarHBondContact O-CB 3.49Å; D375-A378 PolarHBondContact O-N 3.33Å; D375-A378 VanDerWaalsContact O-N 3.17Å; W376-A378 VanDerWaalsContact C-N 3.33Å; W376-A378 PolarHBondContact O-N 3.46Å; A378-H380 PolarHBondContact O-N 2.95Å; A378-L381 PolarHBondContact O-N 3.38Å; A378-W488 HydrophobicContact CB-CH2 4.05Å; A378-W488 HydrophobicContact CB-CZ3 4.45Å
379	D	91.9	Very high	91.4	Very high	124 Å²	124	52.5 Å²	52.5	66%	0.663	29%	0.287	S	S	*	.	H	α-helix	trans	-65	-26.1	177.8	-66.4	-19.5	0	0	0	112.9	D375 W376 L377	D375-D379 PolarHBondContact O-N 2.61Å; W376-D379 PolarHBondContact O-N 3.43Å; L377-D379 PolarHBondContact O-N 2.86Å
380	H	92	Very high	91.6	Very high	64 Å²	64	45 Å²	45	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-104.5	3.9	-175.6	-65.7	75	0	0	0	114.1	W376 L377 A378 S382 N383 L386	W376-H380 AromaticContact CD1-CE1 3.57Å; W376-H380 AromaticContact CD1-ND1 3.84Å; W376-H380 AromaticContact CD2-ND1 3.77Å; W376-H380 AromaticContact CE2-CE1 3.57Å; W376-H380 AromaticContact CE2-CG 3.93Å; W376-H380 AromaticContact CE2-ND1 3.55Å; W376-H380 AromaticContact CE2-NE2 3.9Å; W376-H380 AromaticContact CG-ND1 3.96Å; W376-H380 HydrophobicContact CH2-CB 4.34Å; W376-H380 AromaticContact CZ2-CD2 3.87Å; W376-H380 AromaticContact CZ2-CG 3.88Å; W376-H380 AromaticContact CZ2-ND1 4Å; W376-H380 AromaticContact CZ2-NE2 3.98Å; W376-H380 HydrophobicContact CZ3-CB 4.42Å; W376-H380 AromaticContact NE1-CE1 3.18Å; W376-H380 PolarHBondContact NE1-CE1 3.36Å; W376-H380 AromaticContact NE1-ND1 3.6Å; W376-H380 AromaticContact NE1-NE2 3.66Å; W376-H380 PolarHBondContact O-N 3.17Å; W376-H380 PolarHBondContact O-ND1 3.04Å; L377-H380 CarbonylContact O-C 3.54Å; L377-H380 PolarHBondContact O-N 3.37Å; A378-H380 PolarHBondContact O-N 2.95Å; H380-S382 PolarHBondContact O-N 3.04Å; H380-S382 VanDerWaalsContact O-N 3.08Å; H380-N383 VanDerWaalsContact O-CB 3.28Å; H380-N383 WeakPolarHBondContact O-CB 3.36Å; H380-N383 PolarHBondContact O-N 3.26Å; H380-L386 HydrophobicContact CB-CD2 4.27Å; H380-L386 VanDerWaalsContact O-CD2 3.32Å; H380-L386 WeakPolarHBondContact O-CD2 3.34Å
381	L	88.9	Confident	91.5	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.194	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.9	178.4	-73.3	178.5	0	0	0	113.3	L377 A378 N383 I388 I404 K406 W488	L377-L381 HydrophobicContact CD1-CD2 4.39Å; L377-L381 HydrophobicContact CG-CD2 4.36Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.47Å; L377-L381 VanDerWaalsContact O-N 3.11Å; A378-L381 PolarHBondContact O-N 3.38Å; L381-N383 VanDerWaalsContact C-N 3.34Å; L381-I388 HydrophobicContact CD2-CD1 3.6Å; L381-I404 HydrophobicContact CD2-CG2 4.42Å; L381-K406 PolarHBondContact O-NZ 3.24Å; L381-W488 HydrophobicContact CD1-CH2 4.35Å
382	S	87.5	Confident	91	Very high	102 Å²	102	43 Å²	43	71%	0.713	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.8	177.3	58.5	0	0	0	0	113.7	H380 P384	H380-S382 PolarHBondContact O-N 3.04Å; H380-S382 VanDerWaalsContact O-N 3.08Å; S382-P384 WeakPolarHBondContact O-CD 3.26Å
383	N	88.9	Confident	90.1	Very high	55 Å²	55	45.4 Å²	45.4	29%	0.294	25%	0.253	S	S	.	.			trans	-71.4	120.6	-175.4	-177.3	-5.7	0	0	0	111.5	H380 L381 T385 L386	H380-N383 VanDerWaalsContact O-CB 3.28Å; H380-N383 WeakPolarHBondContact O-CB 3.36Å; H380-N383 PolarHBondContact O-N 3.26Å; L381-N383 VanDerWaalsContact C-N 3.34Å; N383-T385 VanDerWaalsContact CG-OG1 3.25Å; N383-T385 PolarHBondContact ND2-OG1 3.1Å; N383-T385 VanDerWaalsContact ND2-OG1 3.14Å; N383-T385 PolarHBondContact O-N 2.98Å; N383-T385 PolarHBondContact OD1-N 3.38Å; N383-T385 PolarHBondContact OD1-OG1 3.17Å; N383-L386 HydrophobicContact CB-CB 4.22Å; N383-L386 WeakPolarHBondContact O-CB 3.39Å; N383-L386 PolarHBondContact O-N 3.44Å
384	P	85.8	Confident	88.6	Confident	103 Å²	103	46 Å²	46	67%	0.669	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.8	-178.9	27.1	-35.7	0	0	0	114	S382 L386 R387	S382-P384 WeakPolarHBondContact O-CD 3.26Å; P384-L386 VanDerWaalsContact C-N 3.34Å; P384-R387 PolarHBondContact O-NH1 3Å
385	T	88.4	Confident	87.1	Confident	63 Å²	63	49.6 Å²	49.6	39%	0.387	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.5	-180	62.8	0	0	0	0	113.4	N383 N446 H447	N383-T385 VanDerWaalsContact CG-OG1 3.25Å; N383-T385 PolarHBondContact ND2-OG1 3.1Å; N383-T385 VanDerWaalsContact ND2-OG1 3.14Å; N383-T385 PolarHBondContact O-N 2.98Å; N383-T385 PolarHBondContact OD1-N 3.38Å; N383-T385 PolarHBondContact OD1-OG1 3.17Å; T385-N446 WeakPolarHBondContact O-CA 3.28Å; T385-N446 WeakPolarHBondContact O-CB 3.31Å; T385-N446 PolarHBondContact O-ND2 2.99Å; T385-H447 PolarHBondContact O-N 3.37Å
386	L	91.9	Very high	85.7	Confident	14 Å²	14	49 Å²	49	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.2	176.8	-174.3	69.7	0	0	0	110.2	W376 L377 H380 N383 P384 I388 H447 V449	W376-L386 HydrophobicContact CH2-CD1 4.34Å; W376-L386 HydrophobicContact CZ3-CD1 4.35Å; L377-L386 HydrophobicContact CD1-CD2 3.82Å; H380-L386 HydrophobicContact CB-CD2 4.27Å; H380-L386 VanDerWaalsContact O-CD2 3.32Å; H380-L386 WeakPolarHBondContact O-CD2 3.34Å; N383-L386 HydrophobicContact CB-CB 4.22Å; N383-L386 WeakPolarHBondContact O-CB 3.39Å; N383-L386 PolarHBondContact O-N 3.44Å; P384-L386 VanDerWaalsContact C-N 3.34Å; L386-I388 HydrophobicContact CD2-CD1 4.27Å; L386-I388 HydrophobicContact CD2-CG1 4.2Å; L386-I388 HydrophobicContact CG-CG1 4.19Å; L386-H447 HydrophobicContact CD1-CB 4.4Å; L386-V449 HydrophobicContact CD1-CB 4.44Å; L386-V449 HydrophobicContact CD1-CG2 3.64Å
387	R	92.1	Very high	84.3	Confident	68 Å²	68	50.3 Å²	50.3	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.7	171.1	-68.7	-68.4	179.7	-91.6	-0.7	108.6	P384 G441 V442 N446 H447 V448 V449	P384-R387 PolarHBondContact O-NH1 3Å; R387-G441 PolarHBondContact NE-O 3.47Å; R387-V442 HydrophobicContact CB-CG2 4.2Å; R387-V442 HydrophobicContact CG-CG2 4.19Å; R387-N446 HydrophobicContact CG-CB 4Å; R387-H447 PolarHBondContact N-O 3.04Å; R387-V448 CarbonylContact O-C 3.41Å; R387-V448 WeakPolarHBondContact O-CA 3.35Å; R387-V449 PolarHBondContact O-N 3.02Å
388	I	93.7	Very high	83.4	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.1	-177.2	-51.2	172.5	0	0	0	107.7	L377 L381 L386 I404 A407 V408 V449 Y451	L377-I388 HydrophobicContact CD1-CD1 3.86Å; L377-I388 HydrophobicContact CD1-CG1 4.15Å; L381-I388 HydrophobicContact CD2-CD1 3.6Å; L386-I388 HydrophobicContact CD2-CD1 4.27Å; L386-I388 HydrophobicContact CD2-CG1 4.2Å; L386-I388 HydrophobicContact CG-CG1 4.19Å; I388-I404 HydrophobicContact CD1-CG2 4.19Å; I388-A407 HydrophobicContact CB-CB 4.19Å; I388-A407 HydrophobicContact CG2-CB 3.96Å; I388-A407 CarbonylContact O-C 3.6Å; I388-A407 VanDerWaalsContact O-CA 3.28Å; I388-A407 WeakPolarHBondContact O-CA 3.4Å; I388-V408 PolarHBondContact O-N 3.47Å; I388-V449 CarbonylContact C-O 3.58Å; I388-V449 VanDerWaalsContact CA-O 3.32Å; I388-V449 WeakPolarHBondContact CA-O 3.49Å; I388-Y451 HydrophobicContact CG2-CD1 3.78Å; I388-Y451 HydrophobicContact CG2-CE1 3.57Å
389	L	93.2	Very high	82.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.6	-177.2	-59.3	-175.4	0	0	0	110.7	V408 F410 L440 V448 V449 V450 Y451 V466 F470	L389-V408 CarbonylContact C-O 3.6Å; L389-V408 WeakPolarHBondContact CA-O 3.36Å; L389-V408 HydrophobicContact CD2-CB 4.34Å; L389-F410 HydrophobicContact CB-CB 4.41Å; L389-F410 HydrophobicContact CD1-CD2 4.08Å; L389-L440 HydrophobicContact CD1-CD1 4.13Å; L389-L440 HydrophobicContact CD2-CB 4.27Å; L389-L440 HydrophobicContact CD2-CD1 4.27Å; L389-L440 HydrophobicContact CD2-CD2 4.03Å; L389-L440 HydrophobicContact CD2-CG 4.42Å; L389-V448 HydrophobicContact CD1-CG1 3.41Å; L389-V448 VanDerWaalsContact CD1-CG1 3.41Å; L389-V448 HydrophobicContact CG-CG1 3.87Å; L389-V449 PolarHBondContact N-O 2.91Å; L389-V450 HydrophobicContact CB-CG1 4.28Å; L389-V450 HydrophobicContact CB-CG2 4.37Å; L389-V450 HydrophobicContact CD1-CG2 4.33Å; L389-Y451 VanDerWaalsContact O-CD1 3.24Å; L389-Y451 WeakPolarHBondContact O-CD1 3.46Å; L389-Y451 PolarHBondContact O-N 2.8Å; L389-V466 HydrophobicContact CD1-CG1 4.35Å; L389-F470 HydrophobicContact CD1-CE2 3.63Å; L389-F470 HydrophobicContact CD1-CZ 3.86Å
390	H	92	Very high	82.1	Confident	0 Å²	0	49 Å²	49	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.1	174.9	173.8	-80.1	0	0	0	110	F399 A407 V408 H409 F410 Y451 A453	H390-F399 HydrophobicContact CB-CD2 3.71Å; H390-F399 HydrophobicContact CB-CE2 3.86Å; H390-F399 AromaticContact CD2-CD2 3.89Å; H390-F399 AromaticContact CG-CD2 3.49Å; H390-F399 VanDerWaalsContact CG-CD2 3.49Å; H390-F399 AromaticContact ND1-CD2 3.59Å; H390-A407 HydrophobicContact CB-CB 4.36Å; H390-V408 PolarHBondContact N-O 3.47Å; H390-H409 AromaticContact ND1-ND1 3.52Å; H390-H409 PolarHBondContact O-ND1 3.36Å; H390-F410 PolarHBondContact O-N 3.33Å; H390-Y451 HydrophobicContact CB-CE1 4.04Å; H390-Y451 HydrophobicContact CB-CE2 4.25Å; H390-Y451 AromaticContact CD2-CE2 3.47Å; H390-Y451 VanDerWaalsContact CD2-CE2 3.47Å; H390-Y451 WeakPolarHBondContact CD2-CE2 3.45Å; H390-Y451 AromaticContact CD2-CZ 3.58Å; H390-Y451 PolarHBondContact CD2-OH 2.87Å; H390-Y451 VanDerWaalsContact CD2-OH 3.28Å; H390-Y451 AromaticContact CG-CZ 4Å; H390-A453 WeakPolarHBondContact CE1-CB 3.32Å; H390-A453 WeakPolarHBondContact NE2-CB 3.43Å
391	C	89.8	Confident	81.6	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.6	178.5	-62.4	0	0	0	0	110.6	V450 Y451 D452 A453 C462	C391-V450 WeakPolarHBondContact SG-CG1 3.18Å; C391-Y451 PolarHBondContact N-O 2.86Å; C391-D452 CarbonylContact O-C 3.53Å; C391-D452 WeakPolarHBondContact O-CA 3.32Å; C391-A453 VanDerWaalsContact O-CB 3.28Å; C391-A453 WeakPolarHBondContact O-CB 3.33Å; C391-A453 PolarHBondContact O-N 2.95Å; C391-C462 HydrophobicContact CB-CB 3.72Å
392	S	82.2	Confident	81.5	Confident	7 Å²	7	51.9 Å²	51.9	5%	0.049	31%	0.313	C	S	.	.			trans	-109.1	151.9	170.8	54.1	0	0	0	0	111.2	L396 N397 H409	S392-L396 WeakPolarHBondContact CB-O 3.43Å; S392-N397 PolarHBondContact OG-OD1 3.47Å; S392-H409 PolarHBondContact OG-CE1 2.94Å
393	K	74.2	Confident	81.6	Confident	60 Å²	60	47 Å²	47	26%	0.261	28%	0.279	S	S	.	.			trans	-64.5	145.9	163.5	-69.4	-174.6	-178.7	-172.1	0	109.1	G395 L396 E461	K393-G395 PolarHBondContact O-N 2.87Å; K393-L396 HydrophobicContact CB-CB 4.49Å; K393-L396 PolarHBondContact O-N 2.93Å; K393-E461 WeakPolarHBondContact CE-OE1 3.3Å; K393-E461 WeakPolarHBondContact CE-OE2 3.45Å; K393-E461 IonicContact NZ-OE1 3.51Å; K393-E461 PolarHBondContact NZ-OE1 2.88Å; K393-E461 IonicContact NZ-OE2 2.69Å; K393-E461 PolarHBondContact NZ-OE2 2.79Å
394	P	63.5	Low	81.7	Confident	70 Å²	70	44.4 Å²	44.4	46%	0.455	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	124.5	173.9	-26.5	34.4	0	0	0	112	K413	P394-K413 HydrophobicContact CB-CD 4.16Å; P394-K413 HydrophobicContact CG-CD 4.38Å; P394-K413 HydrophobicContact CG-CG 4.25Å
395	G	61.2	Low	81.9	Confident	78 Å²	78	41.2 Å²	41.2	80%	0.804	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-9	-179.2	0	0	0	0	0	115.2	K393	K393-G395 PolarHBondContact O-N 2.87Å
396	L	63.2	Low	81.8	Confident	76 Å²	76	44.2 Å²	44.2	40%	0.398	25%	0.252	S	S	.	.			trans	-109.6	58.5	177.1	-139	102.6	0	0	0	110.6	S392 K393 N398	S392-L396 WeakPolarHBondContact CB-O 3.43Å; K393-L396 HydrophobicContact CB-CB 4.49Å; K393-L396 PolarHBondContact O-N 2.93Å; L396-N398 VanDerWaalsContact C-N 3.32Å; L396-N398 PolarHBondContact O-N 3.43Å
397	N	63.5	Low	81.8	Confident	98 Å²	98	43.6 Å²	43.6	52%	0.524	25%	0.248	S	C	.	.			trans	-84.5	69.1	-173.3	-75.5	-1	0	0	0	112.6	S392 F399	S392-N397 PolarHBondContact OG-OD1 3.47Å; N397-F399 PolarHBondContact O-N 3.34Å
398	N	76	Confident	81.7	Confident	40 Å²	40	41 Å²	41	21%	0.214	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-78.2	5.5	177.9	-63	5.7	0	0	0	113.6	L396 A400 E401 C402	L396-N398 VanDerWaalsContact C-N 3.32Å; L396-N398 PolarHBondContact O-N 3.43Å; N398-A400 VanDerWaalsContact C-N 3.35Å; N398-A400 PolarHBondContact O-N 2.84Å; N398-E401 PolarHBondContact O-N 3.15Å; N398-E401 VanDerWaalsContact O-N 3.1Å; N398-C402 PolarHBondContact O-N 2.68Å
399	F	77.9	Confident	81.6	Confident	20 Å²	20	42.7 Å²	42.7	9%	0.088	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.5	-42.9	-173.9	-176.5	-108.7	0	0	0	112.2	H390 N397 E401 H403 A407 H409 L499	H390-F399 HydrophobicContact CB-CD2 3.71Å; H390-F399 HydrophobicContact CB-CE2 3.86Å; H390-F399 AromaticContact CD2-CD2 3.89Å; H390-F399 AromaticContact CG-CD2 3.49Å; H390-F399 VanDerWaalsContact CG-CD2 3.49Å; H390-F399 AromaticContact ND1-CD2 3.59Å; N397-F399 PolarHBondContact O-N 3.34Å; F399-E401 PolarHBondContact O-N 2.88Å; F399-H403 HydrophobicContact CD2-CB 3.64Å; F399-H403 AromaticContact CD2-CG 3.76Å; F399-H403 AromaticContact CD2-ND1 3.95Å; F399-H403 HydrophobicContact CE2-CB 3.67Å; F399-H403 AromaticContact CE2-CD2 3.63Å; F399-H403 AromaticContact CE2-CG 3.46Å; F399-H403 VanDerWaalsContact CE2-CG 3.46Å; F399-H403 AromaticContact CE2-ND1 3.83Å; F399-H403 AromaticContact CZ-CD2 3.92Å; F399-H403 AromaticContact CZ-NE2 3.92Å; F399-H403 PolarHBondContact O-ND1 3.37Å; F399-A407 HydrophobicContact CE2-CB 4.4Å; F399-A407 WeakPolarHBondContact CZ-O 3.08Å; F399-H409 HydrophobicContact CB-CB 4.4Å; F399-H409 HydrophobicContact CD1-CB 3.78Å; F399-H409 HydrophobicContact CD2-CB 3.99Å; F399-H409 HydrophobicContact CE1-CB 3.97Å; F399-H409 HydrophobicContact CE2-CB 4.17Å; F399-H409 HydrophobicContact CG-CB 3.78Å; F399-H409 HydrophobicContact CZ-CB 4.17Å; F399-L499 HydrophobicContact CD1-CD2 3.89Å; F399-L499 HydrophobicContact CE1-CD2 3.59Å
400	A	77.9	Confident	81.4	Confident	67 Å²	67	42.7 Å²	42.7	55%	0.554	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.9	-22.6	179.1	0	0	0	0	0	113.2	N398 S497	N398-A400 VanDerWaalsContact C-N 3.35Å; N398-A400 PolarHBondContact O-N 2.84Å; A400-S497 WeakPolarHBondContact O-CB 3.49Å
401	E	82.3	Confident	81.2	Confident	144 Å²	144	44.6 Å²	44.6	67%	0.673	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-46.1	-178.5	-61.5	179.7	177.2	0	0	112.1	N398 F399	N398-E401 PolarHBondContact O-N 3.15Å; N398-E401 VanDerWaalsContact O-N 3.1Å; F399-E401 PolarHBondContact O-N 2.88Å
402	C	86.1	Confident	81	Confident	17 Å²	17	44.9 Å²	44.9	12%	0.115	26%	0.259	C	S	.	.			trans	-160.1	112.5	-169.8	172.3	0	0	0	0	111.8	N398 L485	N398-C402 PolarHBondContact O-N 2.68Å; C402-L485 WeakPolarHBondContact O-CD2 3.35Å
403	H	89.6	Confident	81.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-141.7	168.2	173.4	60.8	-89.1	0	0	0	112.5	F399 Y451 V495 T496 E498	F399-H403 HydrophobicContact CD2-CB 3.64Å; F399-H403 AromaticContact CD2-CG 3.76Å; F399-H403 AromaticContact CD2-ND1 3.95Å; F399-H403 HydrophobicContact CE2-CB 3.67Å; F399-H403 AromaticContact CE2-CD2 3.63Å; F399-H403 AromaticContact CE2-CG 3.46Å; F399-H403 VanDerWaalsContact CE2-CG 3.46Å; F399-H403 AromaticContact CE2-ND1 3.83Å; F399-H403 AromaticContact CZ-CD2 3.92Å; F399-H403 AromaticContact CZ-NE2 3.92Å; F399-H403 PolarHBondContact O-ND1 3.37Å; H403-Y451 WeakPolarHBondContact CB-OH 3.46Å; H403-V495 CarbonylContact O-C 3.59Å; H403-V495 VanDerWaalsContact O-CA 3.28Å; H403-V495 WeakPolarHBondContact O-CA 3.32Å; H403-T496 PolarHBondContact CE1-O 3.2Å; H403-T496 PolarHBondContact N-O 2.93Å; H403-T496 PolarHBondContact ND1-O 3.27Å; H403-T496 VanDerWaalsContact ND1-O 3.14Å; H403-T496 WeakPolarHBondContact NE2-CG2 3.13Å; H403-T496 PolarHBondContact O-N 3.29Å; H403-E498 PolarHBondContact CE1-O 3.07Å; H403-E498 PolarHBondContact NE2-O 2.91Å
404	I	91.5	Very high	81.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.289	C	S	.	.			trans	-72	136.9	177.6	-60.8	-179.9	0	0	0	108.4	L377 L381 I388 K406 A407 Y451 L481 L485 W488	L377-I404 HydrophobicContact CD2-CD1 3.96Å; L377-I404 HydrophobicContact CD2-CG2 4.42Å; L381-I404 HydrophobicContact CD2-CG2 4.42Å; I388-I404 HydrophobicContact CD1-CG2 4.19Å; I404-K406 PolarHBondContact O-N 2.87Å; I404-A407 HydrophobicContact CB-CB 4.37Å; I404-A407 WeakPolarHBondContact O-CB 3.36Å; I404-A407 PolarHBondContact O-N 2.93Å; I404-Y451 HydrophobicContact CB-CE1 4.12Å; I404-Y451 HydrophobicContact CD1-CD1 3.91Å; I404-Y451 HydrophobicContact CD1-CD2 4.32Å; I404-Y451 HydrophobicContact CD1-CE1 3.73Å; I404-Y451 HydrophobicContact CD1-CE2 4.17Å; I404-Y451 HydrophobicContact CD1-CG 4.18Å; I404-Y451 HydrophobicContact CG1-CE1 3.99Å; I404-Y451 HydrophobicContact CG1-CE2 4.21Å; I404-Y451 PolarHBondContact N-OH 3.31Å; I404-L481 HydrophobicContact CD1-CD2 3.59Å; I404-L485 HydrophobicContact CG1-CD1 4.13Å; I404-W488 HydrophobicContact CD1-CB 4.46Å; I404-W488 HydrophobicContact CD1-CD2 3.82Å; I404-W488 HydrophobicContact CD1-CE3 4.12Å; I404-W488 HydrophobicContact CD1-CG 3.97Å; I404-W488 HydrophobicContact CG1-CD2 4.11Å; I404-W488 HydrophobicContact CG1-CG 4.09Å; I404-W488 HydrophobicContact CG2-CH2 4.4Å; I404-W488 HydrophobicContact CG2-CZ2 3.94Å
405	P	89.3	Confident	82.7	Confident	35 Å²	35	48.4 Å²	48.4	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	136	177.7	-28.5	35.3	0	0	0	112.8	A407 P494 T496	P405-A407 PolarHBondContact O-N 3.34Å; P405-P494 WeakPolarHBondContact CD-O 3.31Å; P405-T496 HydrophobicContact CB-CG2 4.41Å; P405-T496 HydrophobicContact CG-CG2 4.36Å
406	K	87.6	Confident	84	Confident	127 Å²	127	46 Å²	46	55%	0.552	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.4	1.8	-174.6	-51.3	178.8	175.1	178.8	0	116	L381 I404	L381-K406 PolarHBondContact O-NZ 3.24Å; I404-K406 PolarHBondContact O-N 2.87Å
407	A	91.6	Very high	85.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.1	175.5	0	0	0	0	0	111.6	I388 H390 F399 I404 P405 Y451 S500	I388-A407 HydrophobicContact CB-CB 4.19Å; I388-A407 HydrophobicContact CG2-CB 3.96Å; I388-A407 CarbonylContact O-C 3.6Å; I388-A407 VanDerWaalsContact O-CA 3.28Å; I388-A407 WeakPolarHBondContact O-CA 3.4Å; H390-A407 HydrophobicContact CB-CB 4.36Å; F399-A407 HydrophobicContact CE2-CB 4.4Å; F399-A407 WeakPolarHBondContact CZ-O 3.08Å; I404-A407 HydrophobicContact CB-CB 4.37Å; I404-A407 WeakPolarHBondContact O-CB 3.36Å; I404-A407 PolarHBondContact O-N 2.93Å; P405-A407 PolarHBondContact O-N 3.34Å; A407-Y451 HydrophobicContact CB-CE1 3.88Å; A407-Y451 WeakPolarHBondContact CB-OH 3.44Å; A407-S500 WeakPolarHBondContact O-CB 3.24Å
408	V	90.6	Very high	86.4	Confident	13 Å²	13	47.7 Å²	47.7	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.9	174.6	-178.1	0	0	0	0	108.1	I388 L389 H390 F410 L440 P502	I388-V408 PolarHBondContact O-N 3.47Å; L389-V408 CarbonylContact C-O 3.6Å; L389-V408 WeakPolarHBondContact CA-O 3.36Å; L389-V408 HydrophobicContact CD2-CB 4.34Å; H390-V408 PolarHBondContact N-O 3.47Å; V408-F410 PolarHBondContact O-N 2.94Å; V408-L440 HydrophobicContact CG1-CD2 4.12Å; V408-P502 HydrophobicContact CG1-CG 4.21Å; V408-P502 HydrophobicContact CG2-CB 4.36Å; V408-P502 HydrophobicContact CG2-CG 3.86Å
409	H	90	Very high	87.1	Confident	42 Å²	42	50.1 Å²	50.1	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.9	179.8	-175.9	31.8	0	0	0	111.2	H390 S392 F399	H390-H409 AromaticContact ND1-ND1 3.52Å; H390-H409 PolarHBondContact O-ND1 3.36Å; S392-H409 PolarHBondContact OG-CE1 2.94Å; F399-H409 HydrophobicContact CB-CB 4.4Å; F399-H409 HydrophobicContact CD1-CB 3.78Å; F399-H409 HydrophobicContact CD2-CB 3.99Å; F399-H409 HydrophobicContact CE1-CB 3.97Å; F399-H409 HydrophobicContact CE2-CB 4.17Å; F399-H409 HydrophobicContact CG-CB 3.78Å; F399-H409 HydrophobicContact CZ-CB 4.17Å
410	F	90.4	Very high	87.6	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.4	168.6	-172	-75.7	0	0	0	109.3	L389 H390 V408 L412 C415 Y435 L440 V466 F470	L389-F410 HydrophobicContact CB-CB 4.41Å; L389-F410 HydrophobicContact CD1-CD2 4.08Å; H390-F410 PolarHBondContact O-N 3.33Å; V408-F410 PolarHBondContact O-N 2.94Å; F410-L412 HydrophobicContact CE1-CD1 4.18Å; F410-C415 HydrophobicContact CE1-CB 3.9Å; F410-C415 HydrophobicContact CE2-CB 4.49Å; F410-C415 HydrophobicContact CZ-CB 3.58Å; F410-Y435 AromaticContact CD2-CE1 3.92Å; F410-Y435 HydrophobicContact CD2-CE1 3.92Å; F410-Y435 HydrophobicContact CE2-CD1 4.17Å; F410-Y435 AromaticContact CE2-CE1 3.73Å; F410-Y435 HydrophobicContact CE2-CE1 3.73Å; F410-Y435 HydrophobicContact CG-CE1 4.4Å; F410-Y435 HydrophobicContact CZ-CD1 4.48Å; F410-Y435 HydrophobicContact CZ-CE1 4.05Å; F410-L440 HydrophobicContact CB-CD2 4.48Å; F410-L440 HydrophobicContact CD2-CD1 3.47Å; F410-L440 VanDerWaalsContact CD2-CD1 3.47Å; F410-L440 HydrophobicContact CD2-CD2 4.08Å; F410-L440 HydrophobicContact CD2-CG 4.4Å; F410-L440 HydrophobicContact CE2-CD1 3.71Å; F410-V466 HydrophobicContact CD1-CG1 4.45Å; F410-V466 HydrophobicContact CD1-CG2 3.47Å; F410-V466 VanDerWaalsContact CD1-CG2 3.47Å; F410-V466 HydrophobicContact CD2-CG1 4.02Å; F410-V466 HydrophobicContact CD2-CG2 4.48Å; F410-V466 HydrophobicContact CE1-CB 4.48Å; F410-V466 HydrophobicContact CE1-CG1 4.36Å; F410-V466 HydrophobicContact CE1-CG2 3.34Å; F410-V466 HydrophobicContact CE2-CG1 3.91Å; F410-V466 HydrophobicContact CE2-CG2 4.37Å; F410-V466 HydrophobicContact CG-CG1 4.29Å; F410-V466 HydrophobicContact CG-CG2 4.07Å; F410-V466 HydrophobicContact CZ-CG1 4.09Å; F410-V466 HydrophobicContact CZ-CG2 3.82Å; F410-F470 HydrophobicContact CE2-CE2 4.26Å
411	D	86.7	Confident	88.1	Confident	39 Å²	39	51.6 Å²	51.6	21%	0.209	27%	0.271	C	S	.	.			trans	-92.1	105.6	175.4	-176.7	-0.6	0	0	0	109.8	K413 Q414 C415 Y435	D411-K413 PolarHBondContact O-N 3.21Å; D411-K413 WeakPolarHBondContact OD1-CB 3.37Å; D411-K413 PolarHBondContact OD1-N 3.02Å; D411-Q414 HydrophobicContact CB-CB 4.38Å; D411-Q414 HydrophobicContact CB-CG 4.14Å; D411-Q414 PolarHBondContact O-N 3.43Å; D411-Q414 WeakPolarHBondContact OD2-CG 3.43Å; D411-Q414 PolarHBondContact OD2-NE2 3.01Å; D411-C415 PolarHBondContact O-N 2.95Å; D411-Y435 PolarHBondContact N-OH 3.46Å
412	L	85.7	Confident	88.4	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.042	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.8	179.6	-172.4	63.7	0	0	0	112.1	F410 Q414 C415 I416 R465 V603	F410-L412 HydrophobicContact CE1-CD1 4.18Å; L412-Q414 VanDerWaalsContact C-N 3.26Å; L412-Q414 PolarHBondContact O-N 3.21Å; L412-C415 CarbonylContact O-C 3.56Å; L412-C415 PolarHBondContact O-N 3.5Å; L412-I416 WeakPolarHBondContact O-CG2 3.19Å; L412-R465 HydrophobicContact CD1-CG 3.97Å; L412-V603 HydrophobicContact CD2-CG2 4.28Å
413	K	84.6	Confident	88.5	Confident	119 Å²	119	48.3 Å²	48.3	52%	0.517	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.6	179.6	-74.2	-178.6	159.3	175.4	0	113.9	P394 D411 I416	P394-K413 HydrophobicContact CB-CD 4.16Å; P394-K413 HydrophobicContact CG-CD 4.38Å; P394-K413 HydrophobicContact CG-CG 4.25Å; D411-K413 PolarHBondContact O-N 3.21Å; D411-K413 WeakPolarHBondContact OD1-CB 3.37Å; D411-K413 PolarHBondContact OD1-N 3.02Å; K413-I416 VanDerWaalsContact O-CG1 3.31Å; K413-I416 WeakPolarHBondContact O-CG1 3.26Å
414	Q	84.8	Confident	88.4	Confident	89 Å²	89	49.9 Å²	49.9	42%	0.416	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-29	175.7	-68.8	-179.1	37.9	0	0	111.7	D411 L412 Q431 Y435	D411-Q414 HydrophobicContact CB-CB 4.38Å; D411-Q414 HydrophobicContact CB-CG 4.14Å; D411-Q414 PolarHBondContact O-N 3.43Å; D411-Q414 WeakPolarHBondContact OD2-CG 3.43Å; D411-Q414 PolarHBondContact OD2-NE2 3.01Å; L412-Q414 VanDerWaalsContact C-N 3.26Å; L412-Q414 PolarHBondContact O-N 3.21Å; Q414-Q431 PolarHBondContact O-NE2 3.37Å; Q414-Q431 VanDerWaalsContact O-NE2 3.08Å; Q414-Y435 HydrophobicContact CB-CD2 4.17Å; Q414-Y435 HydrophobicContact CB-CE2 3.61Å; Q414-Y435 HydrophobicContact CG-CE2 4.47Å
415	C	86.2	Confident	88.3	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.027	27%	0.274	C	S	.	.	S	Bend	trans	-103.1	48	-175.8	-166.2	0	0	0	0	112.4	F410 D411 L412 Y435	F410-C415 HydrophobicContact CE1-CB 3.9Å; F410-C415 HydrophobicContact CE2-CB 4.49Å; F410-C415 HydrophobicContact CZ-CB 3.58Å; D411-C415 PolarHBondContact O-N 2.95Å; L412-C415 CarbonylContact O-C 3.56Å; L412-C415 PolarHBondContact O-N 3.5Å; C415-Y435 HydrophobicContact CB-CD1 3.8Å; C415-Y435 HydrophobicContact CB-CE1 3.91Å; C415-Y435 HydrophobicContact CB-CG 4.42Å
416	I	89	Confident	88.4	Confident	26 Å²	26	50.7 Å²	50.7	13%	0.133	27%	0.268	C	S	.	.	S	Bend	trans	-133.7	154	175.4	52.6	166.9	0	0	0	109.5	L412 K413 K418 N424 M425 Q431	L412-I416 WeakPolarHBondContact O-CG2 3.19Å; K413-I416 VanDerWaalsContact O-CG1 3.31Å; K413-I416 WeakPolarHBondContact O-CG1 3.26Å; I416-K418 PolarHBondContact O-N 2.88Å; I416-K418 VanDerWaalsContact O-N 3.1Å; I416-N424 HydrophobicContact CG2-CB 4.44Å; I416-M425 WeakPolarHBondContact CA-O 3Å; I416-Q431 PolarHBondContact O-NE2 3.36Å; I416-Q431 PolarHBondContact O-OE1 2.95Å
417	D	90.7	Very high	88.6	Confident	55 Å²	55	45 Å²	45	29%	0.294	24%	0.244	S	C	.	.			trans	-67.9	108.8	170.1	178.7	13.9	0	0	0	110	A419 M425 L426	D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 WeakPolarHBondContact OD1-CB 3.45Å; D417-A419 PolarHBondContact OD1-N 3.25Å; D417-M425 HydrophobicContact CB-CB 4.2Å; D417-M425 PolarHBondContact N-O 3.23Å; D417-L426 WeakPolarHBondContact CB-O 3.48Å
418	K	87	Confident	88.4	Confident	155 Å²	155	48 Å²	48	67%	0.674	27%	0.265	S	S	*	.	S	Bend	trans	-79.2	-14.8	180	-63.9	-177.8	-177.5	177.2	0	112.9	I416	I416-K418 PolarHBondContact O-N 2.88Å; I416-K418 VanDerWaalsContact O-N 3.1Å
419	A	89.3	Confident	88.2	Confident	92 Å²	92	49.4 Å²	49.4	76%	0.76	28%	0.275	S	S	*	.	S	Bend	trans	-80.7	-22.6	177.5	0	0	0	0	0	111.8	D417	D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 WeakPolarHBondContact OD1-CB 3.45Å; D417-A419 PolarHBondContact OD1-N 3.25Å
420	S	88.9	Confident	88	Confident	28 Å²	28	53 Å²	53	20%	0.196	30%	0.296	C	S	.	.	S	Bend	trans	-72.1	138.1	-179.6	-166.7	0	0	0	0	112.7	Y422 M425	S420-Y422 PolarHBondContact O-N 2.99Å; S420-Y422 WeakPolarHBondContact OG-CD2 3.26Å; S420-Y422 PolarHBondContact OG-N 2.92Å; S420-M425 WeakPolarHBondContact OG-CG 3.31Å
421	P	89.1	Confident	87.9	Confident	90 Å²	90	55.6 Å²	55.6	58%	0.584	31%	0.308	S	S	*	.	S	Bend	trans	-74.9	-3.4	172.5	32.9	-36.7	0	0	0	113.2	K632	P421-K632 PolarHBondContact O-NZ 3.16Å
422	Y	88.8	Confident	88	Confident	37 Å²	37	53.7 Å²	53.7	15%	0.145	30%	0.298	C	S	.	.	S	Bend	trans	-103.9	138.9	179.5	-47.6	-67.9	0	0	0	110.4	S420 M425 Q629 K632 L633	S420-Y422 PolarHBondContact O-N 2.99Å; S420-Y422 WeakPolarHBondContact OG-CD2 3.26Å; S420-Y422 PolarHBondContact OG-N 2.92Å; Y422-M425 WeakPolarHBondContact O-CG 3.28Å; Y422-Q629 HydrophobicContact CD1-CB 3.77Å; Y422-Q629 HydrophobicContact CD1-CG 4.06Å; Y422-Q629 HydrophobicContact CD2-CB 4.49Å; Y422-Q629 HydrophobicContact CD2-CG 4.25Å; Y422-Q629 HydrophobicContact CE1-CB 3.96Å; Y422-Q629 HydrophobicContact CE1-CG 3.81Å; Y422-Q629 HydrophobicContact CE2-CG 4.01Å; Y422-Q629 HydrophobicContact CG-CB 4.06Å; Y422-Q629 HydrophobicContact CG-CG 4.28Å; Y422-K632 HydrophobicContact CD1-CD 4.08Å; Y422-K632 HydrophobicContact CE1-CB 4.28Å; Y422-K632 HydrophobicContact CE1-CD 3.8Å; Y422-L633 WeakPolarHBondContact OH-CD1 3.49Å; Y422-L633 WeakPolarHBondContact OH-CD2 3.45Å; Y422-L633 WeakPolarHBondContact OH-CG 3.43Å
423	P	86.4	Confident	87.9	Confident	55 Å²	55	54.7 Å²	54.7	36%	0.357	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	146.7	-176.8	29.7	-36	0	0	0	111.9	M425 T601	P423-M425 PolarHBondContact O-N 3.14Å; P423-T601 HydrophobicContact CB-CG2 4.24Å; P423-T601 HydrophobicContact CG-CG2 3.51Å
424	N	87.5	Confident	88	Confident	32 Å²	32	51.2 Å²	51.2	17%	0.171	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	17.1	169.9	-53.9	-41.3	0	0	0	116.5	I416 R465 T601 V603	I416-N424 HydrophobicContact CG2-CB 4.44Å; N424-R465 PolarHBondContact O-NH2 3.36Å; N424-T601 PolarHBondContact ND2-OG1 3.26Å; N424-V603 HydrophobicContact CB-CG2 3.98Å; N424-V603 WeakPolarHBondContact ND2-CG2 3.32Å
425	M	91	Very high	88.1	Confident	34 Å²	34	47.9 Å²	47.9	17%	0.167	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-56.7	145.2	175.7	-66	-63.2	-65	0	0	111.7	I416 D417 S420 Y422 P423 D624 G625	I416-M425 WeakPolarHBondContact CA-O 3Å; D417-M425 HydrophobicContact CB-CB 4.2Å; D417-M425 PolarHBondContact N-O 3.23Å; S420-M425 WeakPolarHBondContact OG-CG 3.31Å; Y422-M425 WeakPolarHBondContact O-CG 3.28Å; P423-M425 PolarHBondContact O-N 3.14Å; M425-D624 WeakPolarHBondContact CA-OD2 3.45Å; M425-D624 HydrophobicContact CE-CB 4.12Å; M425-D624 HydrophobicContact SD-CB 4.21Å; M425-G625 VanDerWaalsContact SD-CA 3.52Å
426	L	91.2	Very high	88.1	Confident	18 Å²	18	47.7 Å²	47.7	9%	0.094	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56.2	136	177.5	-75	168.6	0	0	0	110.1	D417 F468 T469 Y472 V518 D624	D417-L426 WeakPolarHBondContact CB-O 3.48Å; L426-F468 HydrophobicContact CD1-CE1 4.38Å; L426-T469 HydrophobicContact CD2-CG2 3.94Å; L426-T469 WeakPolarHBondContact CD2-OG1 3.47Å; L426-Y472 HydrophobicContact CD1-CD1 3.98Å; L426-Y472 HydrophobicContact CD1-CD2 4.16Å; L426-Y472 HydrophobicContact CD1-CE1 4.01Å; L426-Y472 HydrophobicContact CD1-CE2 4.21Å; L426-Y472 HydrophobicContact CD1-CG 4.04Å; L426-V518 HydrophobicContact CD1-CG2 3.55Å; L426-D624 WeakPolarHBondContact CG-OD2 3.38Å; L426-D624 PolarHBondContact N-OD2 3.47Å
427	P	91.2	Very high	87.7	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.052	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.3	168.2	178.1	32.4	-38.5	0	0	0	111.3	Q431 F432 F473	P427-Q431 HydrophobicContact CB-CB 4.12Å; P427-Q431 HydrophobicContact CB-CG 4.1Å; P427-F432 HydrophobicContact CG-CB 3.94Å; P427-F432 HydrophobicContact CG-CD2 4.46Å; P427-F473 HydrophobicContact CG-CE2 4.12Å; P427-F473 HydrophobicContact CG-CZ 4.27Å; P427-F473 WeakPolarHBondContact O-CZ 3.45Å
428	S	88	Confident	87.4	Confident	63 Å²	63	53.6 Å²	53.6	44%	0.441	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-66	160	165.3	69.1	0	0	0	0	111.1	D430 Q431 F432	S428-D430 PolarHBondContact O-N 3.33Å; S428-Q431 PolarHBondContact O-N 2.72Å; S428-Q431 WeakPolarHBondContact OG-CB 3.19Å; S428-Q431 PolarHBondContact OG-N 2.97Å; S428-F432 PolarHBondContact O-N 3.25Å
429	S	86.5	Confident	87.2	Confident	43 Å²	43	48.7 Å²	48.7	30%	0.301	28%	0.279	S	S	.	.	H	α-helix	trans	-51.6	-46.5	175.2	49.9	0	0	0	0	111.9	Q431 F432 F433	S429-Q431 PolarHBondContact O-N 3.46Å; S429-F432 PolarHBondContact O-N 3.35Å; S429-F433 WeakPolarHBondContact O-CB 3.43Å; S429-F433 WeakPolarHBondContact O-CD2 3.48Å; S429-F433 WeakPolarHBondContact O-CG 3.31Å; S429-F433 PolarHBondContact O-N 3.13Å
430	D	85.6	Confident	87.1	Confident	118 Å²	118	44.3 Å²	44.3	63%	0.631	24%	0.243	S	C	*	.	H	α-helix	trans	-69	-39.6	-174.2	-59.2	-9.4	0	0	0	111.4	S428 S434	S428-D430 PolarHBondContact O-N 3.33Å; D430-S434 WeakPolarHBondContact O-CB 3.47Å; D430-S434 PolarHBondContact O-N 2.86Å
431	Q	87.4	Confident	87	Confident	54 Å²	54	43 Å²	43	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-44.2	175.6	-176.7	-176.9	0.3	0	0	110.9	Q414 I416 P427 S428 S429 Y435	Q414-Q431 PolarHBondContact O-NE2 3.37Å; Q414-Q431 VanDerWaalsContact O-NE2 3.08Å; I416-Q431 PolarHBondContact O-NE2 3.36Å; I416-Q431 PolarHBondContact O-OE1 2.95Å; P427-Q431 HydrophobicContact CB-CB 4.12Å; P427-Q431 HydrophobicContact CB-CG 4.1Å; S428-Q431 PolarHBondContact O-N 2.72Å; S428-Q431 WeakPolarHBondContact OG-CB 3.19Å; S428-Q431 PolarHBondContact OG-N 2.97Å; S429-Q431 PolarHBondContact O-N 3.46Å; Q431-Y435 VanDerWaalsContact O-CB 3.26Å; Q431-Y435 WeakPolarHBondContact O-CB 3.43Å; Q431-Y435 PolarHBondContact O-N 3.4Å
432	F	88.6	Confident	86.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-51.3	177.3	177.7	-102.8	0	0	0	112	P427 S428 S429 S434 Y435 A436 T469 F470 F473	P427-F432 HydrophobicContact CG-CB 3.94Å; P427-F432 HydrophobicContact CG-CD2 4.46Å; S428-F432 PolarHBondContact O-N 3.25Å; S429-F432 PolarHBondContact O-N 3.35Å; F432-S434 PolarHBondContact O-N 3.07Å; F432-Y435 PolarHBondContact O-N 2.9Å; F432-A436 WeakPolarHBondContact O-CB 3.49Å; F432-A436 PolarHBondContact O-N 3.39Å; F432-T469 HydrophobicContact CD2-CG2 3.77Å; F432-T469 HydrophobicContact CE2-CG2 3.66Å; F432-F470 HydrophobicContact CE1-CD1 4.48Å; F432-F470 HydrophobicContact CE2-CE2 4.5Å; F432-F470 HydrophobicContact CE2-CZ 4.45Å; F432-F470 AromaticContact CZ-CD1 3.69Å; F432-F470 HydrophobicContact CZ-CD1 3.69Å; F432-F470 HydrophobicContact CZ-CD2 4.35Å; F432-F470 AromaticContact CZ-CE1 3.72Å; F432-F470 HydrophobicContact CZ-CE1 3.72Å; F432-F470 HydrophobicContact CZ-CE2 4.38Å; F432-F470 HydrophobicContact CZ-CG 4.01Å; F432-F470 HydrophobicContact CZ-CZ 4.07Å; F432-F473 HydrophobicContact CB-CD2 3.91Å; F432-F473 HydrophobicContact CB-CE1 4.43Å; F432-F473 HydrophobicContact CB-CE2 3.52Å; F432-F473 HydrophobicContact CB-CZ 3.82Å; F432-F473 HydrophobicContact CD1-CB 3.82Å; F432-F473 HydrophobicContact CD1-CD1 4.29Å; F432-F473 AromaticContact CD1-CD2 3.24Å; F432-F473 HydrophobicContact CD1-CD2 3.24Å; F432-F473 AromaticContact CD1-CE2 3.82Å; F432-F473 HydrophobicContact CD1-CE2 3.82Å; F432-F473 AromaticContact CD1-CG 3.52Å; F432-F473 HydrophobicContact CD1-CG 3.52Å; F432-F473 AromaticContact CD2-CD2 3.71Å; F432-F473 HydrophobicContact CD2-CD2 3.71Å; F432-F473 AromaticContact CD2-CE2 3.74Å; F432-F473 HydrophobicContact CD2-CE2 3.74Å; F432-F473 HydrophobicContact CE1-CB 3.7Å; F432-F473 AromaticContact CE1-CD2 3.58Å; F432-F473 HydrophobicContact CE1-CD2 3.58Å; F432-F473 HydrophobicContact CE1-CE2 4.49Å; F432-F473 AromaticContact CE1-CG 3.87Å; F432-F473 HydrophobicContact CE1-CG 3.87Å; F432-F473 HydrophobicContact CE2-CD2 4.02Å; F432-F473 HydrophobicContact CE2-CE2 4.43Å; F432-F473 AromaticContact CG-CD2 3.31Å; F432-F473 HydrophobicContact CG-CD2 3.31Å; F432-F473 AromaticContact CG-CE2 3.39Å; F432-F473 HydrophobicContact CG-CE2 3.39Å; F432-F473 HydrophobicContact CG-CG 4.02Å; F432-F473 HydrophobicContact CG-CZ 4.16Å; F432-F473 AromaticContact CZ-CD2 3.95Å; F432-F473 HydrophobicContact CZ-CD2 3.95Å
433	F	85.1	Confident	86.7	Confident	28 Å²	28	39 Å²	39	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-43.1	-178.3	-62.2	-40.5	0	0	0	111.4	S429 Y435 A436 C437 F473 Y507 A509	S429-F433 WeakPolarHBondContact O-CB 3.43Å; S429-F433 WeakPolarHBondContact O-CD2 3.48Å; S429-F433 WeakPolarHBondContact O-CG 3.31Å; S429-F433 PolarHBondContact O-N 3.13Å; F433-Y435 VanDerWaalsContact C-N 3.34Å; F433-Y435 PolarHBondContact O-N 3.17Å; F433-A436 PolarHBondContact O-N 3.43Å; F433-C437 WeakPolarHBondContact O-CB 3.47Å; F433-C437 PolarHBondContact O-N 3.17Å; F433-C437 PolarHBondContact O-SG 3.42Å; F433-F473 HydrophobicContact CE1-CB 4.08Å; F433-F473 HydrophobicContact CE1-CG 4.48Å; F433-F473 HydrophobicContact CZ-CB 4.42Å; F433-F473 HydrophobicContact CZ-CD1 4.3Å; F433-Y507 HydrophobicContact CB-CD1 4.4Å; F433-Y507 AromaticContact CD1-CD1 3.39Å; F433-Y507 HydrophobicContact CD1-CD1 3.39Å; F433-Y507 AromaticContact CD1-CE1 3.37Å; F433-Y507 HydrophobicContact CD1-CE1 3.37Å; F433-Y507 HydrophobicContact CD1-CG 4.49Å; F433-Y507 AromaticContact CE1-CD1 3.93Å; F433-Y507 HydrophobicContact CE1-CD1 3.93Å; F433-Y507 AromaticContact CE1-CE1 3.44Å; F433-Y507 HydrophobicContact CE1-CE1 3.44Å; F433-Y507 VanDerWaalsContact CE1-CE1 3.44Å; F433-Y507 HydrophobicContact CG-CD1 4.1Å; F433-Y507 HydrophobicContact CG-CE1 4.44Å; F433-A509 HydrophobicContact CD2-CB 4.29Å; F433-A509 HydrophobicContact CE1-CB 4.29Å; F433-A509 HydrophobicContact CE2-CB 3.58Å; F433-A509 HydrophobicContact CZ-CB 3.59Å
434	S	85.5	Confident	86.6	Confident	46 Å²	46	40.8 Å²	40.8	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-43.4	175.1	-175.7	0	0	0	0	112	D430 F432 R438	D430-S434 WeakPolarHBondContact O-CB 3.47Å; D430-S434 PolarHBondContact O-N 2.86Å; F432-S434 PolarHBondContact O-N 3.07Å; S434-R438 VanDerWaalsContact O-CB 3.3Å; S434-R438 WeakPolarHBondContact O-CB 3.08Å; S434-R438 WeakPolarHBondContact O-CG 3.39Å; S434-R438 PolarHBondContact O-N 3.42Å
435	Y	86.7	Confident	86.5	Confident	20 Å²	20	44 Å²	44	8%	0.078	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-45	177.1	-174.2	-107.3	0	0	0	112.2	F410 D411 Q414 C415 Q431 F432 F433 C437 S439 L440	F410-Y435 AromaticContact CD2-CE1 3.92Å; F410-Y435 HydrophobicContact CD2-CE1 3.92Å; F410-Y435 HydrophobicContact CE2-CD1 4.17Å; F410-Y435 AromaticContact CE2-CE1 3.73Å; F410-Y435 HydrophobicContact CE2-CE1 3.73Å; F410-Y435 HydrophobicContact CG-CE1 4.4Å; F410-Y435 HydrophobicContact CZ-CD1 4.48Å; F410-Y435 HydrophobicContact CZ-CE1 4.05Å; D411-Y435 PolarHBondContact N-OH 3.46Å; Q414-Y435 HydrophobicContact CB-CD2 4.17Å; Q414-Y435 HydrophobicContact CB-CE2 3.61Å; Q414-Y435 HydrophobicContact CG-CE2 4.47Å; C415-Y435 HydrophobicContact CB-CD1 3.8Å; C415-Y435 HydrophobicContact CB-CE1 3.91Å; C415-Y435 HydrophobicContact CB-CG 4.42Å; Q431-Y435 VanDerWaalsContact O-CB 3.26Å; Q431-Y435 WeakPolarHBondContact O-CB 3.43Å; Q431-Y435 PolarHBondContact O-N 3.4Å; F432-Y435 PolarHBondContact O-N 2.9Å; F433-Y435 VanDerWaalsContact C-N 3.34Å; F433-Y435 PolarHBondContact O-N 3.17Å; Y435-C437 PolarHBondContact O-N 2.94Å; Y435-S439 WeakPolarHBondContact CD2-OG 3.24Å; Y435-S439 WeakPolarHBondContact O-CB 3.28Å; Y435-S439 PolarHBondContact O-N 2.74Å; Y435-L440 HydrophobicContact CD1-CD1 4.24Å; Y435-L440 HydrophobicContact CD1-CG 4.45Å; Y435-L440 HydrophobicContact CE1-CD1 4.12Å; Y435-L440 HydrophobicContact CE1-CD2 4.19Å; Y435-L440 HydrophobicContact CE1-CG 4.21Å; Y435-L440 PolarHBondContact O-N 3.14Å
436	A	85.9	Confident	86.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-62.7	-40.8	178.3	0	0	0	0	0	112.6	F432 F433 L440 G441 V442	F432-A436 WeakPolarHBondContact O-CB 3.49Å; F432-A436 PolarHBondContact O-N 3.39Å; F433-A436 PolarHBondContact O-N 3.43Å; A436-L440 WeakPolarHBondContact O-CB 3.5Å; A436-G441 PolarHBondContact O-N 2.85Å; A436-G441 VanDerWaalsContact O-N 3.1Å; A436-V442 PolarHBondContact O-N 2.89Å; A436-V442 VanDerWaalsContact O-N 3.14Å
437	C	81.2	Confident	86.4	Confident	19 Å²	19	43.4 Å²	43.4	13%	0.128	23%	0.226	C	C	.	.	I	π-helix	trans	-63	-59	173.7	-77.1	0	0	0	0	113	F433 Y435 G441 P504 T505 Y507	F433-C437 WeakPolarHBondContact O-CB 3.47Å; F433-C437 PolarHBondContact O-N 3.17Å; F433-C437 PolarHBondContact O-SG 3.42Å; Y435-C437 PolarHBondContact O-N 2.94Å; C437-G441 PolarHBondContact O-N 3.17Å; C437-P504 WeakPolarHBondContact O-CA 3.38Å; C437-T505 WeakPolarHBondContact CB-O 3.43Å; C437-T505 PolarHBondContact O-N 3.44Å; C437-T505 PolarHBondContact SG-O 3.18Å; C437-Y507 WeakPolarHBondContact SG-CB 3.49Å; C437-Y507 PolarHBondContact SG-N 3.45Å
438	R	83.8	Confident	86.5	Confident	186 Å²	186	43 Å²	43	70%	0.702	22%	0.224	S	C	*	.	I	π-helix	trans	-82.5	-41	-162	-66.5	178.5	178.5	-174.6	1.3	111.9	S434	S434-R438 VanDerWaalsContact O-CB 3.3Å; S434-R438 WeakPolarHBondContact O-CB 3.08Å; S434-R438 WeakPolarHBondContact O-CG 3.39Å; S434-R438 PolarHBondContact O-N 3.42Å
439	S	84.4	Confident	86.9	Confident	51 Å²	51	40 Å²	40	36%	0.357	20%	0.203	S	C	.	.	I	π-helix	trans	-94.2	-35.2	-174.1	-54.6	0	0	0	0	112.3	Y435	Y435-S439 WeakPolarHBondContact CD2-OG 3.24Å; Y435-S439 WeakPolarHBondContact O-CB 3.28Å; Y435-S439 PolarHBondContact O-N 2.74Å
440	L	87.1	Confident	87.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-103.4	-20.9	-172.8	-48.9	178.5	0	0	0	113.8	L389 V408 F410 Y435 A436 V442 F470	L389-L440 HydrophobicContact CD1-CD1 4.13Å; L389-L440 HydrophobicContact CD2-CB 4.27Å; L389-L440 HydrophobicContact CD2-CD1 4.27Å; L389-L440 HydrophobicContact CD2-CD2 4.03Å; L389-L440 HydrophobicContact CD2-CG 4.42Å; V408-L440 HydrophobicContact CG1-CD2 4.12Å; F410-L440 HydrophobicContact CB-CD2 4.48Å; F410-L440 HydrophobicContact CD2-CD1 3.47Å; F410-L440 VanDerWaalsContact CD2-CD1 3.47Å; F410-L440 HydrophobicContact CD2-CD2 4.08Å; F410-L440 HydrophobicContact CD2-CG 4.4Å; F410-L440 HydrophobicContact CE2-CD1 3.71Å; Y435-L440 HydrophobicContact CD1-CD1 4.24Å; Y435-L440 HydrophobicContact CD1-CG 4.45Å; Y435-L440 HydrophobicContact CE1-CD1 4.12Å; Y435-L440 HydrophobicContact CE1-CD2 4.19Å; Y435-L440 HydrophobicContact CE1-CG 4.21Å; Y435-L440 PolarHBondContact O-N 3.14Å; A436-L440 WeakPolarHBondContact O-CB 3.5Å; L440-V442 VanDerWaalsContact C-N 3.28Å; L440-V442 HydrophobicContact CB-CG2 3.74Å; L440-V442 PolarHBondContact O-N 2.94Å; L440-F470 HydrophobicContact CD1-CZ 4.22Å
441	G	85.7	Confident	87.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.			trans	58.8	39.6	-174.5	0	0	0	0	0	112.9	R387 A436 C437 T505	R387-G441 PolarHBondContact NE-O 3.47Å; A436-G441 PolarHBondContact O-N 2.85Å; A436-G441 VanDerWaalsContact O-N 3.1Å; C437-G441 PolarHBondContact O-N 3.17Å; G441-T505 VanDerWaalsContact C-OG1 3.3Å
442	V	87.2	Confident	87.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.			trans	-93.5	138	176.8	177.8	0	0	0	0	109.2	R387 A436 L440 N446 V448 F470 T505 Y507	R387-V442 HydrophobicContact CB-CG2 4.2Å; R387-V442 HydrophobicContact CG-CG2 4.19Å; A436-V442 PolarHBondContact O-N 2.89Å; A436-V442 VanDerWaalsContact O-N 3.14Å; L440-V442 VanDerWaalsContact C-N 3.28Å; L440-V442 HydrophobicContact CB-CG2 3.74Å; L440-V442 PolarHBondContact O-N 2.94Å; V442-N446 HydrophobicContact CG1-CB 4.33Å; V442-V448 HydrophobicContact CG1-CG2 3.65Å; V442-V448 HydrophobicContact CG2-CG2 4.18Å; V442-F470 HydrophobicContact CG1-CE1 4.15Å; V442-T505 VanDerWaalsContact C-OG1 3.26Å; V442-T505 PolarHBondContact N-OG1 3.36Å; V442-T505 PolarHBondContact O-OG1 3.39Å; V442-Y507 HydrophobicContact CG1-CD2 4.42Å; V442-Y507 HydrophobicContact CG1-CE2 4.18Å; V442-Y507 WeakPolarHBondContact O-CD2 3.12Å
443	D	83.9	Confident	87.9	Confident	43 Å²	43	30.2 Å²	30.2	23%	0.23	15%	0.149	C	C	.	.			trans	-115.5	161.6	170.7	175.8	35.9	0	0	0	109.7	N445 N446 H475 T505	D443-N445 PolarHBondContact O-N 3.44Å; D443-N445 VanDerWaalsContact O-N 3.08Å; D443-N445 PolarHBondContact OD2-ND2 3.4Å; D443-N445 VanDerWaalsContact OD2-ND2 3.13Å; D443-N446 WeakPolarHBondContact CB-OD1 3.4Å; D443-N446 PolarHBondContact N-OD1 3.28Å; D443-N446 WeakPolarHBondContact O-CB 3.32Å; D443-N446 PolarHBondContact O-N 2.98Å; D443-H475 PolarHBondContact O-CE1 3.03Å; D443-T505 HydrophobicContact CB-CG2 4.49Å
444	K	84.8	Confident	87.8	Confident	94 Å²	94	29.4 Å²	29.4	41%	0.409	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-32.7	175.2	175.1	178	176.9	177.8	0	113.2	H475 A510	K444-H475 PolarHBondContact O-CE1 3.47Å; K444-A510 HydrophobicContact CD-CB 4.48Å; K444-A510 HydrophobicContact CG-CB 4.18Å
445	N	85	Confident	87.5	Confident	98 Å²	98	29.2 Å²	29.2	52%	0.524	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.9	-176.3	-64.4	-55.7	0	0	0	114.3	D443 K477	D443-N445 PolarHBondContact O-N 3.44Å; D443-N445 VanDerWaalsContact O-N 3.08Å; D443-N445 PolarHBondContact OD2-ND2 3.4Å; D443-N445 VanDerWaalsContact OD2-ND2 3.13Å; N445-K477 PolarHBondContact O-NZ 3.07Å
446	N	89.1	Confident	87	Confident	11 Å²	11	37.3 Å²	37.3	6%	0.059	18%	0.179	C	C	.	.			trans	-67	149.2	-176.2	-70.3	136.3	0	0	0	111.8	T385 R387 V442 D443 H475 K477	T385-N446 WeakPolarHBondContact O-CA 3.28Å; T385-N446 WeakPolarHBondContact O-CB 3.31Å; T385-N446 PolarHBondContact O-ND2 2.99Å; R387-N446 HydrophobicContact CG-CB 4Å; V442-N446 HydrophobicContact CG1-CB 4.33Å; D443-N446 WeakPolarHBondContact CB-OD1 3.4Å; D443-N446 PolarHBondContact N-OD1 3.28Å; D443-N446 WeakPolarHBondContact O-CB 3.32Å; D443-N446 PolarHBondContact O-N 2.98Å; N446-H475 PolarHBondContact O-CE1 3.44Å; N446-H475 PolarHBondContact O-NE2 3.28Å; N446-H475 VanDerWaalsContact O-NE2 3.11Å; N446-K477 WeakPolarHBondContact O-CB 3.44Å
447	H	92.3	Very high	86.7	Confident	30 Å²	30	42.2 Å²	42.2	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.1	164.4	-173.9	175.6	0	0	0	107.6	W376 T385 L386 R387 K477 S479	W376-H447 AromaticContact CH2-CE1 3.36Å; W376-H447 WeakPolarHBondContact CH2-CE1 3.46Å; W376-H447 AromaticContact CH2-ND1 3.49Å; W376-H447 WeakPolarHBondContact CH2-ND1 3.31Å; W376-H447 AromaticContact CZ2-CE1 3.89Å; T385-H447 PolarHBondContact O-N 3.37Å; L386-H447 HydrophobicContact CD1-CB 4.4Å; R387-H447 PolarHBondContact N-O 3.04Å; H447-K477 CarbonylContact C-O 3.49Å; H447-K477 WeakPolarHBondContact CA-O 3.26Å; H447-K477 HydrophobicContact CB-CB 4.49Å; H447-K477 PolarHBondContact CD2-O 3.34Å; H447-K477 VanDerWaalsContact CD2-O 3.25Å; H447-S479 PolarHBondContact NE2-OG 3.42Å
448	V	93.9	Very high	86.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.6	179.2	179.1	0	0	0	0	109.6	R387 L389 V442 V450 F470 K477 V478 S479	R387-V448 CarbonylContact O-C 3.41Å; R387-V448 WeakPolarHBondContact O-CA 3.35Å; L389-V448 HydrophobicContact CD1-CG1 3.41Å; L389-V448 VanDerWaalsContact CD1-CG1 3.41Å; L389-V448 HydrophobicContact CG-CG1 3.87Å; V442-V448 HydrophobicContact CG1-CG2 3.65Å; V442-V448 HydrophobicContact CG2-CG2 4.18Å; V448-V450 HydrophobicContact CG1-CG2 3.85Å; V448-F470 HydrophobicContact CG1-CD2 4.44Å; V448-F470 HydrophobicContact CG1-CE2 4.13Å; V448-F470 HydrophobicContact CG1-CZ 4.19Å; V448-F470 HydrophobicContact CG2-CD1 4.46Å; V448-F470 HydrophobicContact CG2-CE1 4.1Å; V448-F470 HydrophobicContact CG2-CZ 4.42Å; V448-K477 PolarHBondContact N-O 2.88Å; V448-V478 HydrophobicContact CB-CB 4.4Å; V448-V478 HydrophobicContact CB-CG2 4.08Å; V448-V478 HydrophobicContact CG1-CG2 4.1Å; V448-V478 CarbonylContact O-C 3.6Å; V448-V478 VanDerWaalsContact O-CA 3.31Å; V448-V478 WeakPolarHBondContact O-CA 3.43Å; V448-S479 PolarHBondContact O-N 2.83Å
449	V	95.4	Very high	86.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.5	172	175.9	0	0	0	0	109.3	V372 W376 L377 L386 R387 I388 L389 S479 L481	V372-V449 HydrophobicContact CG2-CG1 3.74Å; V372-V449 HydrophobicContact CG2-CG2 4.21Å; W376-V449 HydrophobicContact CZ3-CG2 3.98Å; L377-V449 HydrophobicContact CD1-CB 4.48Å; L377-V449 HydrophobicContact CD1-CG1 4.23Å; L377-V449 HydrophobicContact CD2-CG1 4.4Å; L386-V449 HydrophobicContact CD1-CB 4.44Å; L386-V449 HydrophobicContact CD1-CG2 3.64Å; R387-V449 PolarHBondContact O-N 3.02Å; I388-V449 CarbonylContact C-O 3.58Å; I388-V449 VanDerWaalsContact CA-O 3.32Å; I388-V449 WeakPolarHBondContact CA-O 3.49Å; L389-V449 PolarHBondContact N-O 2.91Å; V449-S479 CarbonylContact C-O 3.54Å; V449-S479 VanDerWaalsContact CA-O 3.32Å; V449-S479 WeakPolarHBondContact CA-O 3.42Å; V449-L481 HydrophobicContact CG1-CB 4.28Å
450	V	95.3	Very high	86.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.5	-175.1	-165.7	0	0	0	0	110.3	L389 C391 V448 A463 V466 V478 S479 V480 L481	L389-V450 HydrophobicContact CB-CG1 4.28Å; L389-V450 HydrophobicContact CB-CG2 4.37Å; L389-V450 HydrophobicContact CD1-CG2 4.33Å; C391-V450 WeakPolarHBondContact SG-CG1 3.18Å; V448-V450 HydrophobicContact CG1-CG2 3.85Å; V450-A463 HydrophobicContact CG1-CB 3.98Å; V450-V466 HydrophobicContact CG1-CB 3.98Å; V450-V466 HydrophobicContact CG1-CG1 3.94Å; V450-V466 HydrophobicContact CG2-CG1 4Å; V450-V478 HydrophobicContact CG2-CG2 4.07Å; V450-S479 PolarHBondContact N-O 2.8Å; V450-V480 CarbonylContact O-C 3.52Å; V450-V480 WeakPolarHBondContact O-CA 3.5Å; V450-L481 PolarHBondContact O-N 3.17Å
451	Y	94.4	Very high	86.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152	175.8	73.6	-90	0	0	0	112.6	I388 L389 H390 C391 H403 I404 A407 L481 L485	I388-Y451 HydrophobicContact CG2-CD1 3.78Å; I388-Y451 HydrophobicContact CG2-CE1 3.57Å; L389-Y451 VanDerWaalsContact O-CD1 3.24Å; L389-Y451 WeakPolarHBondContact O-CD1 3.46Å; L389-Y451 PolarHBondContact O-N 2.8Å; H390-Y451 HydrophobicContact CB-CE1 4.04Å; H390-Y451 HydrophobicContact CB-CE2 4.25Å; H390-Y451 AromaticContact CD2-CE2 3.47Å; H390-Y451 VanDerWaalsContact CD2-CE2 3.47Å; H390-Y451 WeakPolarHBondContact CD2-CE2 3.45Å; H390-Y451 AromaticContact CD2-CZ 3.58Å; H390-Y451 PolarHBondContact CD2-OH 2.87Å; H390-Y451 VanDerWaalsContact CD2-OH 3.28Å; H390-Y451 AromaticContact CG-CZ 4Å; C391-Y451 PolarHBondContact N-O 2.86Å; H403-Y451 WeakPolarHBondContact CB-OH 3.46Å; I404-Y451 HydrophobicContact CB-CE1 4.12Å; I404-Y451 HydrophobicContact CD1-CD1 3.91Å; I404-Y451 HydrophobicContact CD1-CD2 4.32Å; I404-Y451 HydrophobicContact CD1-CE1 3.73Å; I404-Y451 HydrophobicContact CD1-CE2 4.17Å; I404-Y451 HydrophobicContact CD1-CG 4.18Å; I404-Y451 HydrophobicContact CG1-CE1 3.99Å; I404-Y451 HydrophobicContact CG1-CE2 4.21Å; I404-Y451 PolarHBondContact N-OH 3.31Å; A407-Y451 HydrophobicContact CB-CE1 3.88Å; A407-Y451 WeakPolarHBondContact CB-OH 3.44Å; Y451-L481 HydrophobicContact CG-CD2 4.3Å; Y451-L485 HydrophobicContact CD2-CB 4Å; Y451-L485 HydrophobicContact CE2-CB 3.93Å; Y451-L485 HydrophobicContact CE2-CD1 4.1Å; Y451-L485 HydrophobicContact CE2-CD2 4.45Å; Y451-L485 HydrophobicContact CE2-CG 4.39Å
452	D	91.4	Very high	86.9	Confident	6 Å²	6	34.3 Å²	34.3	3%	0.032	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.6	175.6	-85.5	-22.6	0	0	0	111.8	C391 S454 S459 L460 E461 C462 A463 L485	C391-D452 CarbonylContact O-C 3.53Å; C391-D452 WeakPolarHBondContact O-CA 3.32Å; D452-S454 VanDerWaalsContact C-N 3.25Å; D452-S454 PolarHBondContact O-N 2.91Å; D452-S459 VanDerWaalsContact OD2-O 3.04Å; D452-S459 PolarHBondContact OD2-OG 3.34Å; D452-L460 VanDerWaalsContact OD2-C 3.29Å; D452-L460 WeakPolarHBondContact OD2-CA 3.36Å; D452-L460 PolarHBondContact OD2-N 3.15Å; D452-E461 PolarHBondContact OD2-N 2.97Å; D452-C462 WeakPolarHBondContact OD1-CA 3.24Å; D452-C462 VanDerWaalsContact OD1-CB 3.24Å; D452-C462 WeakPolarHBondContact OD1-CB 3.41Å; D452-C462 PolarHBondContact OD1-N 3.3Å; D452-C462 PolarHBondContact OD2-N 2.98Å; D452-A463 HydrophobicContact CB-CB 4.42Å; D452-A463 PolarHBondContact OD1-N 3.49Å; D452-L485 WeakPolarHBondContact O-CB 3.46Å; D452-L485 PolarHBondContact O-N 3.12Å; D452-L485 VanDerWaalsContact O-N 3.08Å
453	A	87.6	Confident	87.1	Confident	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.166	C	C	.	.			trans	-72.1	-9.2	-176.5	0	0	0	0	0	115.2	H390 C391 V455	H390-A453 WeakPolarHBondContact CE1-CB 3.32Å; H390-A453 WeakPolarHBondContact NE2-CB 3.43Å; C391-A453 VanDerWaalsContact O-CB 3.28Å; C391-A453 WeakPolarHBondContact O-CB 3.33Å; C391-A453 PolarHBondContact O-N 2.95Å; A453-V455 PolarHBondContact O-N 3Å
454	S	83.9	Confident	87.6	Confident	11 Å²	11	32.3 Å²	32.3	8%	0.077	16%	0.155	C	C	.	.			trans	-65.4	121.7	-172.7	-179.9	0	0	0	0	111.1	D452 Y457 F486	D452-S454 VanDerWaalsContact C-N 3.25Å; D452-S454 PolarHBondContact O-N 2.91Å; S454-Y457 WeakPolarHBondContact CB-O 3.35Å; S454-Y457 PolarHBondContact OG-N 3.24Å; S454-Y457 PolarHBondContact OG-O 3.45Å; S454-F486 WeakPolarHBondContact O-CB 3.34Å; S454-F486 PolarHBondContact O-N 3.08Å
455	V	78	Confident	88	Confident	43 Å²	43	27.9 Å²	27.9	26%	0.261	14%	0.136	S	C	.	.	S	Bend	trans	-96	-15.9	176.7	-172.1	0	0	0	0	111.8	A453 L485 F486 K489	A453-V455 PolarHBondContact O-N 3Å; V455-L485 HydrophobicContact CG2-CD2 3.79Å; V455-L485 HydrophobicContact CG2-CG 4.31Å; V455-F486 VanDerWaalsContact O-CD2 3.28Å; V455-F486 WeakPolarHBondContact O-CD2 3.4Å; V455-K489 HydrophobicContact CG1-CD 3.89Å
456	K	77.9	Confident	88.4	Confident	189 Å²	189	23.3 Å²	23.3	82%	0.822	11%	0.111	S	C	*	.	S	Bend	trans	-92.5	-35	-174.7	-67.9	-175.5	179.8	-179.4	0	113
457	Y	78.4	Confident	88.7	Confident	103 Å²	103	22.9 Å²	22.9	40%	0.404	11%	0.109	S	C	.	.	S	Bend	trans	-148.2	149.1	-177	56	-91.9	0	0	0	110	S454 S459	S454-Y457 WeakPolarHBondContact CB-O 3.35Å; S454-Y457 PolarHBondContact OG-N 3.24Å; S454-Y457 PolarHBondContact OG-O 3.45Å; Y457-S459 PolarHBondContact O-N 2.96Å
458	P	78.4	Confident	88.7	Confident	23 Å²	23	21.8 Å²	21.8	15%	0.149	10%	0.104	C	C	.	.			trans	-62.2	127.4	172.9	29.6	-37	0	0	0	109.5	I567 K572	P458-I567 HydrophobicContact CB-CD1 4.37Å; P458-I567 HydrophobicContact CB-CG2 4.18Å; P458-I567 HydrophobicContact CG-CD1 4.48Å; P458-I567 HydrophobicContact CG-CG2 3.84Å; P458-K572 HydrophobicContact CB-CB 4.28Å; P458-K572 WeakPolarHBondContact CB-O 3.4Å; P458-K572 HydrophobicContact CG-CB 3.91Å; P458-K572 HydrophobicContact CG-CD 4.03Å; P458-K572 HydrophobicContact CG-CG 4.43Å
459	S	83.6	Confident	88.6	Confident	13 Å²	13	22 Å²	22	9%	0.091	11%	0.105	C	C	.	.			trans	-124.3	146.4	174.8	-166	0	0	0	0	108.4	D452 Y457	D452-S459 VanDerWaalsContact OD2-O 3.04Å; D452-S459 PolarHBondContact OD2-OG 3.34Å; Y457-S459 PolarHBondContact O-N 2.96Å
460	L	86.3	Confident	88.5	Confident	8 Å²	8	22 Å²	22	4%	0.042	11%	0.105	C	C	.	.			trans	-134.3	27.3	178.5	-167.5	62.8	0	0	0	110.3	D452 A464 V480 L563 I574 A607 L610	D452-L460 VanDerWaalsContact OD2-C 3.29Å; D452-L460 WeakPolarHBondContact OD2-CA 3.36Å; D452-L460 PolarHBondContact OD2-N 3.15Å; L460-A464 HydrophobicContact CG-CB 4.22Å; L460-A464 WeakPolarHBondContact O-CB 3.37Å; L460-V480 HydrophobicContact CD1-CG1 3.75Å; L460-L563 HydrophobicContact CB-CD1 4.39Å; L460-I574 HydrophobicContact CD1-CD1 3.84Å; L460-I574 HydrophobicContact CD2-CD1 3.44Å; L460-I574 VanDerWaalsContact CD2-CD1 3.44Å; L460-I574 HydrophobicContact CD2-CG1 3.75Å; L460-I574 HydrophobicContact CG-CD1 4.28Å; L460-A607 HydrophobicContact CB-CB 4.48Å; L460-A607 HydrophobicContact CD2-CB 4.09Å; L460-A607 HydrophobicContact CG-CB 4.14Å; L460-A607 WeakPolarHBondContact O-CB 3.34Å; L460-L610 HydrophobicContact CD1-CD2 3.79Å; L460-L610 HydrophobicContact CD2-CD2 4.16Å; L460-L610 HydrophobicContact CG-CD2 4.17Å
461	E	87.1	Confident	88.2	Confident	42 Å²	42	25 Å²	25	20%	0.196	12%	0.116	C	C	.	.	S	Bend	trans	-88.7	-63.4	-170.9	-62.5	178.5	-141.6	0	0	110.5	K393 D452 R465 L563 V603 T604	K393-E461 WeakPolarHBondContact CE-OE1 3.3Å; K393-E461 WeakPolarHBondContact CE-OE2 3.45Å; K393-E461 IonicContact NZ-OE1 3.51Å; K393-E461 PolarHBondContact NZ-OE1 2.88Å; K393-E461 IonicContact NZ-OE2 2.69Å; K393-E461 PolarHBondContact NZ-OE2 2.79Å; D452-E461 PolarHBondContact OD2-N 2.97Å; E461-R465 WeakPolarHBondContact O-CB 3.38Å; E461-R465 PolarHBondContact O-N 3.3Å; E461-L563 HydrophobicContact CG-CD2 3.38Å; E461-V603 HydrophobicContact CB-CG1 4.23Å; E461-V603 WeakPolarHBondContact O-CG1 3.39Å; E461-T604 HydrophobicContact CB-CG2 4.43Å; E461-T604 HydrophobicContact CG-CG2 3.9Å
462	C	90.3	Very high	88.1	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.027	12%	0.122	C	C	.	.	H	α-helix	trans	-75.2	-40.1	-175.2	-57.7	0	0	0	0	110.6	C391 D452 A464 R465 V466	C391-C462 HydrophobicContact CB-CB 3.72Å; D452-C462 WeakPolarHBondContact OD1-CA 3.24Å; D452-C462 VanDerWaalsContact OD1-CB 3.24Å; D452-C462 WeakPolarHBondContact OD1-CB 3.41Å; D452-C462 PolarHBondContact OD1-N 3.3Å; D452-C462 PolarHBondContact OD2-N 2.98Å; C462-A464 PolarHBondContact O-N 3.33Å; C462-R465 PolarHBondContact O-N 3.42Å; C462-V466 WeakPolarHBondContact O-CG2 3.45Å; C462-V466 PolarHBondContact O-N 3.15Å
463	A	93.1	Very high	88	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-42.6	179	0	0	0	0	0	112.6	V450 D452 W467 V480	V450-A463 HydrophobicContact CG1-CB 3.98Å; D452-A463 HydrophobicContact CB-CB 4.42Å; D452-A463 PolarHBondContact OD1-N 3.49Å; A463-W467 WeakPolarHBondContact O-CB 3.41Å; A463-W467 PolarHBondContact O-N 3Å; A463-V480 HydrophobicContact CB-CG1 4Å
464	A	93.7	Very high	87.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.3	-38.3	176.4	0	0	0	0	0	112	L460 C462 W467 F468 C606 A607 L610	L460-A464 HydrophobicContact CG-CB 4.22Å; L460-A464 WeakPolarHBondContact O-CB 3.37Å; C462-A464 PolarHBondContact O-N 3.33Å; A464-W467 PolarHBondContact O-N 3.46Å; A464-F468 WeakPolarHBondContact O-CB 3.44Å; A464-F468 PolarHBondContact O-N 3.29Å; A464-C606 HydrophobicContact CB-CB 4.08Å; A464-C606 WeakPolarHBondContact O-CB 3.15Å; A464-A607 HydrophobicContact CB-CB 4.09Å; A464-L610 HydrophobicContact CB-CB 4.49Å; A464-L610 HydrophobicContact CB-CD2 4.12Å
465	R	93.5	Very high	88	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-49.4	174.2	173.9	57.8	177.2	-150.5	8.6	111.7	L412 N424 E461 C462 F468 T469 G602 V603 C606 D624	L412-R465 HydrophobicContact CD1-CG 3.97Å; N424-R465 PolarHBondContact O-NH2 3.36Å; E461-R465 WeakPolarHBondContact O-CB 3.38Å; E461-R465 PolarHBondContact O-N 3.3Å; C462-R465 PolarHBondContact O-N 3.42Å; R465-F468 WeakPolarHBondContact O-CB 3.4Å; R465-F468 PolarHBondContact O-N 3.45Å; R465-T469 PolarHBondContact O-N 3.14Å; R465-T469 PolarHBondContact O-OG1 3.3Å; R465-T469 VanDerWaalsContact O-OG1 3.07Å; R465-G602 PolarHBondContact NH1-O 3.45Å; R465-V603 HydrophobicContact CB-CG1 3.99Å; R465-V603 HydrophobicContact CG-CG1 4.47Å; R465-V603 HydrophobicContact CG-CG2 4.46Å; R465-C606 HydrophobicContact CB-CB 4.48Å; R465-D624 IonicContact CZ-OD1 2.85Å; R465-D624 IonicContact NH1-OD1 3.32Å; R465-D624 PolarHBondContact NH1-OD1 3.15Å; R465-D624 IonicContact NH2-OD1 2.72Å; R465-D624 PolarHBondContact NH2-OD1 2.87Å; R465-D624 IonicContact NH2-OD2 2.88Å
466	V	93.5	Very high	88.2	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-43.9	179.5	173.1	0	0	0	0	110.9	L389 F410 V450 C462 F468 T469 F470	L389-V466 HydrophobicContact CD1-CG1 4.35Å; F410-V466 HydrophobicContact CD1-CG1 4.45Å; F410-V466 HydrophobicContact CD1-CG2 3.47Å; F410-V466 VanDerWaalsContact CD1-CG2 3.47Å; F410-V466 HydrophobicContact CD2-CG1 4.02Å; F410-V466 HydrophobicContact CD2-CG2 4.48Å; F410-V466 HydrophobicContact CE1-CB 4.48Å; F410-V466 HydrophobicContact CE1-CG1 4.36Å; F410-V466 HydrophobicContact CE1-CG2 3.34Å; F410-V466 HydrophobicContact CE2-CG1 3.91Å; F410-V466 HydrophobicContact CE2-CG2 4.37Å; F410-V466 HydrophobicContact CG-CG1 4.29Å; F410-V466 HydrophobicContact CG-CG2 4.07Å; F410-V466 HydrophobicContact CZ-CG1 4.09Å; F410-V466 HydrophobicContact CZ-CG2 3.82Å; V450-V466 HydrophobicContact CG1-CB 3.98Å; V450-V466 HydrophobicContact CG1-CG1 3.94Å; V450-V466 HydrophobicContact CG2-CG1 4Å; C462-V466 WeakPolarHBondContact O-CG2 3.45Å; C462-V466 PolarHBondContact O-N 3.15Å; V466-F468 VanDerWaalsContact C-N 3.28Å; V466-F468 PolarHBondContact O-N 3.12Å; V466-T469 PolarHBondContact O-N 2.8Å; V466-T469 VanDerWaalsContact O-N 3.15Å; V466-F470 HydrophobicContact CG1-CD2 3.72Å; V466-F470 HydrophobicContact CG1-CE2 3.62Å; V466-F470 VanDerWaalsContact O-CD2 3.31Å; V466-F470 WeakPolarHBondContact O-CD2 3.37Å; V466-F470 PolarHBondContact O-N 3.23Å
467	W	94.1	Very high	88.8	Confident	2 Å²	2	26 Å²	26	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-53.3	-45.8	172.3	167.2	88.5	0	0	0	112.2	P370 A463 A464 F470 R471 V478 V480 I609 L610 N613	P370-W467 HydrophobicContact CB-CZ2 4.1Å; A463-W467 WeakPolarHBondContact O-CB 3.41Å; A463-W467 PolarHBondContact O-N 3Å; A464-W467 PolarHBondContact O-N 3.46Å; W467-F470 PolarHBondContact O-N 3.36Å; W467-R471 VanDerWaalsContact CE2-CD 3.41Å; W467-R471 WeakPolarHBondContact O-CG 3.39Å; W467-R471 PolarHBondContact O-N 3.04Å; W467-R471 VanDerWaalsContact O-N 3.12Å; W467-V478 HydrophobicContact CB-CG2 4.38Å; W467-V478 HydrophobicContact CG-CG1 4.41Å; W467-V478 HydrophobicContact CG-CG2 4.49Å; W467-V478 PolarHBondContact NE1-O 3.22Å; W467-V480 HydrophobicContact CB-CG2 3.55Å; W467-V480 HydrophobicContact CG-CG2 3.82Å; W467-I609 HydrophobicContact CH2-CG2 4.19Å; W467-I609 HydrophobicContact CZ3-CB 4.47Å; W467-I609 HydrophobicContact CZ3-CG2 3.93Å; W467-L610 HydrophobicContact CD2-CD1 3.7Å; W467-L610 HydrophobicContact CE3-CB 4.1Å; W467-L610 HydrophobicContact CE3-CD1 3.9Å; W467-L610 HydrophobicContact CG-CD1 4.3Å; W467-L610 HydrophobicContact CH2-CB 4.17Å; W467-L610 HydrophobicContact CH2-CD1 3.82Å; W467-L610 HydrophobicContact CZ2-CD1 3.62Å; W467-L610 HydrophobicContact CZ3-CB 3.79Å; W467-L610 HydrophobicContact CZ3-CD1 3.97Å; W467-N613 HydrophobicContact CH2-CB 3.91Å; W467-N613 HydrophobicContact CZ2-CB 4.17Å
468	F	93.5	Very high	89.5	Confident	7 Å²	7	21.3 Å²	21.3	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176.8	-178.3	-91	0	0	0	111.9	L426 A464 R465 V466 F470 R471 Y472 V518 C606 I609 L622	L426-F468 HydrophobicContact CD1-CE1 4.38Å; A464-F468 WeakPolarHBondContact O-CB 3.44Å; A464-F468 PolarHBondContact O-N 3.29Å; R465-F468 WeakPolarHBondContact O-CB 3.4Å; R465-F468 PolarHBondContact O-N 3.45Å; V466-F468 VanDerWaalsContact C-N 3.28Å; V466-F468 PolarHBondContact O-N 3.12Å; F468-F470 PolarHBondContact O-N 2.81Å; F468-R471 PolarHBondContact O-N 3.43Å; F468-R471 VanDerWaalsContact O-N 3.15Å; F468-Y472 WeakPolarHBondContact O-CB 3.15Å; F468-Y472 PolarHBondContact O-N 3.17Å; F468-V518 HydrophobicContact CE1-CG2 4.18Å; F468-V518 HydrophobicContact CZ-CG2 4.25Å; F468-C606 HydrophobicContact CB-CB 3.99Å; F468-I609 HydrophobicContact CD2-CD1 3.92Å; F468-I609 HydrophobicContact CD2-CG2 4.04Å; F468-I609 HydrophobicContact CE2-CD1 3.71Å; F468-I609 HydrophobicContact CE2-CG2 4.28Å; F468-I609 HydrophobicContact CZ-CD1 4.47Å; F468-L622 HydrophobicContact CD1-CD2 3.8Å; F468-L622 HydrophobicContact CE1-CB 3.84Å; F468-L622 HydrophobicContact CE1-CD2 3.48Å; F468-L622 VanDerWaalsContact CE1-CD2 3.48Å; F468-L622 HydrophobicContact CE1-CG 4.31Å; F468-L622 HydrophobicContact CE2-CB 4.09Å; F468-L622 HydrophobicContact CZ-CB 3.5Å; F468-L622 VanDerWaalsContact CZ-CB 3.5Å; F468-L622 HydrophobicContact CZ-CD2 4.06Å; F468-L622 HydrophobicContact CZ-CG 4.43Å
469	T	92.4	Very high	90.3	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-58.9	-44.2	177.5	-57.7	0	0	0	0	111.9	L426 F432 R465 V466 R471 Y472 F473	L426-T469 HydrophobicContact CD2-CG2 3.94Å; L426-T469 WeakPolarHBondContact CD2-OG1 3.47Å; F432-T469 HydrophobicContact CD2-CG2 3.77Å; F432-T469 HydrophobicContact CE2-CG2 3.66Å; R465-T469 PolarHBondContact O-N 3.14Å; R465-T469 PolarHBondContact O-OG1 3.3Å; R465-T469 VanDerWaalsContact O-OG1 3.07Å; V466-T469 PolarHBondContact O-N 2.8Å; V466-T469 VanDerWaalsContact O-N 3.15Å; T469-R471 VanDerWaalsContact C-N 3.35Å; T469-R471 PolarHBondContact O-N 3.18Å; T469-Y472 WeakPolarHBondContact O-CB 3.22Å; T469-Y472 PolarHBondContact O-N 3.44Å; T469-F473 HydrophobicContact CG2-CD2 3.91Å; T469-F473 HydrophobicContact CG2-CE2 3.73Å; T469-F473 WeakPolarHBondContact O-CD2 3.28Å; T469-F473 PolarHBondContact O-N 3.47Å; T469-F473 VanDerWaalsContact O-N 3.14Å
470	F	91.7	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-43.5	174.7	-87.3	-82.8	0	0	0	112	L389 F410 F432 L440 V442 V448 V466 W467 F468 F473 N474 H475 V478	L389-F470 HydrophobicContact CD1-CE2 3.63Å; L389-F470 HydrophobicContact CD1-CZ 3.86Å; F410-F470 HydrophobicContact CE2-CE2 4.26Å; F432-F470 HydrophobicContact CE1-CD1 4.48Å; F432-F470 HydrophobicContact CE2-CE2 4.5Å; F432-F470 HydrophobicContact CE2-CZ 4.45Å; F432-F470 AromaticContact CZ-CD1 3.69Å; F432-F470 HydrophobicContact CZ-CD1 3.69Å; F432-F470 HydrophobicContact CZ-CD2 4.35Å; F432-F470 AromaticContact CZ-CE1 3.72Å; F432-F470 HydrophobicContact CZ-CE1 3.72Å; F432-F470 HydrophobicContact CZ-CE2 4.38Å; F432-F470 HydrophobicContact CZ-CG 4.01Å; F432-F470 HydrophobicContact CZ-CZ 4.07Å; L440-F470 HydrophobicContact CD1-CZ 4.22Å; V442-F470 HydrophobicContact CG1-CE1 4.15Å; V448-F470 HydrophobicContact CG1-CD2 4.44Å; V448-F470 HydrophobicContact CG1-CE2 4.13Å; V448-F470 HydrophobicContact CG1-CZ 4.19Å; V448-F470 HydrophobicContact CG2-CD1 4.46Å; V448-F470 HydrophobicContact CG2-CE1 4.1Å; V448-F470 HydrophobicContact CG2-CZ 4.42Å; V466-F470 HydrophobicContact CG1-CD2 3.72Å; V466-F470 HydrophobicContact CG1-CE2 3.62Å; V466-F470 VanDerWaalsContact O-CD2 3.31Å; V466-F470 WeakPolarHBondContact O-CD2 3.37Å; V466-F470 PolarHBondContact O-N 3.23Å; W467-F470 PolarHBondContact O-N 3.36Å; F468-F470 PolarHBondContact O-N 2.81Å; F470-F473 CarbonylContact O-C 3.5Å; F470-F473 PolarHBondContact O-N 2.63Å; F470-N474 PolarHBondContact O-N 3.18Å; F470-H475 HydrophobicContact CB-CB 4.2Å; F470-H475 HydrophobicContact CD1-CB 3.98Å; F470-H475 AromaticContact CD1-CG 3.94Å; F470-H475 VanDerWaalsContact O-CB 3.26Å; F470-H475 WeakPolarHBondContact O-CB 3.47Å; F470-H475 PolarHBondContact O-N 2.88Å; F470-V478 HydrophobicContact CB-CB 4.07Å; F470-V478 HydrophobicContact CB-CG1 3.94Å; F470-V478 HydrophobicContact CB-CG2 3.98Å; F470-V478 HydrophobicContact CD2-CG2 4.38Å; F470-V478 HydrophobicContact CG-CG2 4.26Å
471	R	90.3	Very high	91.3	Very high	64 Å²	64	19.4 Å²	19.4	24%	0.242	10%	0.099	C	C	.	.	H	α-helix	trans	-65	-40.3	176.6	-71	-170.5	67.5	-162	-0.1	112.5	W467 F468 T469 F473 N474 V478 L514 N613	W467-R471 VanDerWaalsContact CE2-CD 3.41Å; W467-R471 WeakPolarHBondContact O-CG 3.39Å; W467-R471 PolarHBondContact O-N 3.04Å; W467-R471 VanDerWaalsContact O-N 3.12Å; F468-R471 PolarHBondContact O-N 3.43Å; F468-R471 VanDerWaalsContact O-N 3.15Å; T469-R471 VanDerWaalsContact C-N 3.35Å; T469-R471 PolarHBondContact O-N 3.18Å; R471-F473 VanDerWaalsContact C-N 3.26Å; R471-F473 PolarHBondContact O-N 3.2Å; R471-N474 WeakPolarHBondContact O-CA 3.38Å; R471-N474 PolarHBondContact O-N 3.43Å; R471-V478 HydrophobicContact CG-CG1 3.59Å; R471-L514 WeakPolarHBondContact O-CD1 3.2Å; R471-N613 PolarHBondContact NH1-ND2 2.93Å
472	Y	90.8	Very high	91.6	Very high	29 Å²	29	18.7 Å²	18.7	11%	0.114	10%	0.097	C	C	.	.	H	α-helix	trans	-56.4	-42.4	176	176.6	-102.7	0	0	0	111.1	L426 F468 T469 N474 P513 L514 L515 T517 V518	L426-Y472 HydrophobicContact CD1-CD1 3.98Å; L426-Y472 HydrophobicContact CD1-CD2 4.16Å; L426-Y472 HydrophobicContact CD1-CE1 4.01Å; L426-Y472 HydrophobicContact CD1-CE2 4.21Å; L426-Y472 HydrophobicContact CD1-CG 4.04Å; F468-Y472 WeakPolarHBondContact O-CB 3.15Å; F468-Y472 PolarHBondContact O-N 3.17Å; T469-Y472 WeakPolarHBondContact O-CB 3.22Å; T469-Y472 PolarHBondContact O-N 3.44Å; Y472-N474 PolarHBondContact O-N 3.07Å; Y472-P513 HydrophobicContact CD1-CB 4.17Å; Y472-P513 HydrophobicContact CE1-CB 3.64Å; Y472-P513 HydrophobicContact CE1-CG 4.5Å; Y472-P513 HydrophobicContact CE2-CB 4.36Å; Y472-P513 CarbonylContact O-C 3.53Å; Y472-P513 VanDerWaalsContact O-CA 3.24Å; Y472-P513 WeakPolarHBondContact O-CA 3.28Å; Y472-L514 PolarHBondContact O-N 3.06Å; Y472-L515 VanDerWaalsContact OH-CD2 3.3Å; Y472-L515 WeakPolarHBondContact OH-CD2 3.45Å; Y472-T517 WeakPolarHBondContact CD2-OG1 3.46Å; Y472-V518 HydrophobicContact CD2-CG2 3.56Å; Y472-V518 HydrophobicContact CE2-CB 4.09Å; Y472-V518 HydrophobicContact CE2-CG2 3.35Å
473	F	89.1	Confident	91.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	25.5	174.2	-64.8	-66.8	0	0	0	114.3	P427 F432 F433 T469 F470 R471 H475 P513	P427-F473 HydrophobicContact CG-CE2 4.12Å; P427-F473 HydrophobicContact CG-CZ 4.27Å; P427-F473 WeakPolarHBondContact O-CZ 3.45Å; F432-F473 HydrophobicContact CB-CD2 3.91Å; F432-F473 HydrophobicContact CB-CE1 4.43Å; F432-F473 HydrophobicContact CB-CE2 3.52Å; F432-F473 HydrophobicContact CB-CZ 3.82Å; F432-F473 HydrophobicContact CD1-CB 3.82Å; F432-F473 HydrophobicContact CD1-CD1 4.29Å; F432-F473 AromaticContact CD1-CD2 3.24Å; F432-F473 HydrophobicContact CD1-CD2 3.24Å; F432-F473 AromaticContact CD1-CE2 3.82Å; F432-F473 HydrophobicContact CD1-CE2 3.82Å; F432-F473 AromaticContact CD1-CG 3.52Å; F432-F473 HydrophobicContact CD1-CG 3.52Å; F432-F473 AromaticContact CD2-CD2 3.71Å; F432-F473 HydrophobicContact CD2-CD2 3.71Å; F432-F473 AromaticContact CD2-CE2 3.74Å; F432-F473 HydrophobicContact CD2-CE2 3.74Å; F432-F473 HydrophobicContact CE1-CB 3.7Å; F432-F473 AromaticContact CE1-CD2 3.58Å; F432-F473 HydrophobicContact CE1-CD2 3.58Å; F432-F473 HydrophobicContact CE1-CE2 4.49Å; F432-F473 AromaticContact CE1-CG 3.87Å; F432-F473 HydrophobicContact CE1-CG 3.87Å; F432-F473 HydrophobicContact CE2-CD2 4.02Å; F432-F473 HydrophobicContact CE2-CE2 4.43Å; F432-F473 AromaticContact CG-CD2 3.31Å; F432-F473 HydrophobicContact CG-CD2 3.31Å; F432-F473 AromaticContact CG-CE2 3.39Å; F432-F473 HydrophobicContact CG-CE2 3.39Å; F432-F473 HydrophobicContact CG-CG 4.02Å; F432-F473 HydrophobicContact CG-CZ 4.16Å; F432-F473 AromaticContact CZ-CD2 3.95Å; F432-F473 HydrophobicContact CZ-CD2 3.95Å; F433-F473 HydrophobicContact CE1-CB 4.08Å; F433-F473 HydrophobicContact CE1-CG 4.48Å; F433-F473 HydrophobicContact CZ-CB 4.42Å; F433-F473 HydrophobicContact CZ-CD1 4.3Å; T469-F473 HydrophobicContact CG2-CD2 3.91Å; T469-F473 HydrophobicContact CG2-CE2 3.73Å; T469-F473 WeakPolarHBondContact O-CD2 3.28Å; T469-F473 PolarHBondContact O-N 3.47Å; T469-F473 VanDerWaalsContact O-N 3.14Å; F470-F473 CarbonylContact O-C 3.5Å; F470-F473 PolarHBondContact O-N 2.63Å; R471-F473 VanDerWaalsContact C-N 3.26Å; R471-F473 PolarHBondContact O-N 3.2Å; F473-H475 VanDerWaalsContact C-N 3.27Å; F473-H475 PolarHBondContact O-N 2.91Å; F473-P513 HydrophobicContact CD1-CB 4.18Å; F473-P513 HydrophobicContact CD1-CG 3.91Å; F473-P513 HydrophobicContact CE1-CB 4.33Å; F473-P513 HydrophobicContact CE1-CG 3.98Å
474	N	85.8	Confident	91.5	Very high	65 Å²	65	19 Å²	19	35%	0.348	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	23.7	174.4	-154.8	40.8	0	0	0	115.7	F470 R471 Y472 S476 A510	F470-N474 PolarHBondContact O-N 3.18Å; R471-N474 WeakPolarHBondContact O-CA 3.38Å; R471-N474 PolarHBondContact O-N 3.43Å; Y472-N474 PolarHBondContact O-N 3.07Å; N474-S476 PolarHBondContact O-N 3.1Å; N474-A510 HydrophobicContact CB-CB 4.46Å; N474-A510 PolarHBondContact ND2-O 2.83Å; N474-A510 VanDerWaalsContact ND2-O 3.08Å; N474-A510 VanDerWaalsContact O-CB 3.27Å; N474-A510 WeakPolarHBondContact O-CB 3.5Å
475	H	87.3	Confident	91.3	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.101	C	C	.	.			trans	-86.7	98	173.1	-167.2	90.3	0	0	0	110.3	D443 K444 N446 F470 F473 K477 Y507	D443-H475 PolarHBondContact O-CE1 3.03Å; K444-H475 PolarHBondContact O-CE1 3.47Å; N446-H475 PolarHBondContact O-CE1 3.44Å; N446-H475 PolarHBondContact O-NE2 3.28Å; N446-H475 VanDerWaalsContact O-NE2 3.11Å; F470-H475 HydrophobicContact CB-CB 4.2Å; F470-H475 HydrophobicContact CD1-CB 3.98Å; F470-H475 AromaticContact CD1-CG 3.94Å; F470-H475 VanDerWaalsContact O-CB 3.26Å; F470-H475 WeakPolarHBondContact O-CB 3.47Å; F470-H475 PolarHBondContact O-N 2.88Å; F473-H475 VanDerWaalsContact C-N 3.27Å; F473-H475 PolarHBondContact O-N 2.91Å; H475-K477 PolarHBondContact O-N 3.37Å; H475-Y507 AromaticContact ND1-CE2 3.85Å; H475-Y507 AromaticContact ND1-CZ 3.87Å; H475-Y507 PolarHBondContact ND1-OH 2.61Å
476	S	82.2	Confident	91.2	Very high	94 Å²	94	21.5 Å²	21.5	66%	0.657	11%	0.112	S	C	*	.			trans	-73.5	-26	-171.9	60.5	0	0	0	0	114.5	N474 V478	N474-S476 PolarHBondContact O-N 3.1Å; S476-V478 VanDerWaalsContact C-N 3.33Å; S476-V478 PolarHBondContact O-N 3.25Å; S476-V478 VanDerWaalsContact O-N 3.15Å
477	K	90.2	Very high	91.1	Very high	81 Å²	81	23 Å²	23	35%	0.352	12%	0.119	S	C	.	.			trans	-90.5	59.4	-175.4	-57.2	-174.8	-175	171.8	0	112.5	V368 N445 N446 H447 V448 H475	V368-K477 HydrophobicContact CG2-CB 4.33Å; V368-K477 HydrophobicContact CG2-CG 4.04Å; N445-K477 PolarHBondContact O-NZ 3.07Å; N446-K477 WeakPolarHBondContact O-CB 3.44Å; H447-K477 CarbonylContact C-O 3.49Å; H447-K477 WeakPolarHBondContact CA-O 3.26Å; H447-K477 HydrophobicContact CB-CB 4.49Å; H447-K477 PolarHBondContact CD2-O 3.34Å; H447-K477 VanDerWaalsContact CD2-O 3.25Å; V448-K477 PolarHBondContact N-O 2.88Å; H475-K477 PolarHBondContact O-N 3.37Å
478	V	93.2	Very high	90.9	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.8	177.2	63.7	0	0	0	0	111.6	V448 V450 W467 F470 R471 S476	V448-V478 HydrophobicContact CB-CB 4.4Å; V448-V478 HydrophobicContact CB-CG2 4.08Å; V448-V478 HydrophobicContact CG1-CG2 4.1Å; V448-V478 CarbonylContact O-C 3.6Å; V448-V478 VanDerWaalsContact O-CA 3.31Å; V448-V478 WeakPolarHBondContact O-CA 3.43Å; V450-V478 HydrophobicContact CG2-CG2 4.07Å; W467-V478 HydrophobicContact CB-CG2 4.38Å; W467-V478 HydrophobicContact CG-CG1 4.41Å; W467-V478 HydrophobicContact CG-CG2 4.49Å; W467-V478 PolarHBondContact NE1-O 3.22Å; F470-V478 HydrophobicContact CB-CB 4.07Å; F470-V478 HydrophobicContact CB-CG1 3.94Å; F470-V478 HydrophobicContact CB-CG2 3.98Å; F470-V478 HydrophobicContact CD2-CG2 4.38Å; F470-V478 HydrophobicContact CG-CG2 4.26Å; R471-V478 HydrophobicContact CG-CG1 3.59Å; S476-V478 VanDerWaalsContact C-N 3.33Å; S476-V478 PolarHBondContact O-N 3.25Å; S476-V478 VanDerWaalsContact O-N 3.15Å
479	S	95.3	Very high	90.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.1	-179.7	-55.2	0	0	0	0	111.2	V368 K369 P370 H447 V448 V449 V450	V368-S479 WeakPolarHBondContact CG1-OG 3.41Å; K369-S479 WeakPolarHBondContact O-CB 3.14Å; K369-S479 PolarHBondContact O-OG 3.28Å; P370-S479 CarbonylContact O-C 3.53Å; P370-S479 WeakPolarHBondContact O-CA 3.46Å; H447-S479 PolarHBondContact NE2-OG 3.42Å; V448-S479 PolarHBondContact O-N 2.83Å; V449-S479 CarbonylContact C-O 3.54Å; V449-S479 VanDerWaalsContact CA-O 3.32Å; V449-S479 WeakPolarHBondContact CA-O 3.42Å; V450-S479 PolarHBondContact N-O 2.8Å
480	V	95.8	Very high	90.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.2	174.2	178.4	0	0	0	0	110.1	P370 L371 V372 V450 L460 A463 W467 N482 L610	P370-V480 PolarHBondContact O-N 2.97Å; L371-V480 WeakPolarHBondContact CA-O 3.39Å; L371-V480 HydrophobicContact CD2-CB 4.02Å; L371-V480 HydrophobicContact CD2-CG1 4.44Å; V372-V480 PolarHBondContact N-O 3.44Å; V450-V480 CarbonylContact O-C 3.52Å; V450-V480 WeakPolarHBondContact O-CA 3.5Å; L460-V480 HydrophobicContact CD1-CG1 3.75Å; A463-V480 HydrophobicContact CB-CG1 4Å; W467-V480 HydrophobicContact CB-CG2 3.55Å; W467-V480 HydrophobicContact CG-CG2 3.82Å; V480-N482 PolarHBondContact O-N 3.4Å; V480-L610 HydrophobicContact CB-CD2 4.05Å; V480-L610 HydrophobicContact CG1-CD2 4.28Å; V480-L610 HydrophobicContact CG2-CD1 4.31Å; V480-L610 HydrophobicContact CG2-CD2 3.86Å
481	L	95.1	Very high	90.5	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.8	174	-178.8	63.5	0	0	0	110	V372 A374 L377 I404 V449 V450 Y451 G483 G484 W488	V372-L481 HydrophobicContact CG2-CD1 4.41Å; A374-L481 HydrophobicContact CB-CD1 4.44Å; L377-L481 HydrophobicContact CB-CD1 4.18Å; L377-L481 HydrophobicContact CD2-CD1 3.9Å; L377-L481 HydrophobicContact CD2-CD2 3.89Å; L377-L481 HydrophobicContact CD2-CG 4.43Å; I404-L481 HydrophobicContact CD1-CD2 3.59Å; V449-L481 HydrophobicContact CG1-CB 4.28Å; V450-L481 PolarHBondContact O-N 3.17Å; Y451-L481 HydrophobicContact CG-CD2 4.3Å; L481-G483 PolarHBondContact O-N 3.46Å; L481-G484 PolarHBondContact O-N 3.19Å; L481-G484 VanDerWaalsContact O-N 3.07Å; L481-W488 HydrophobicContact CD2-CE3 4.29Å
482	N	93.2	Very high	90.4	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	120.6	-178.3	-166.8	3.5	0	0	0	110.7	V372 V480 I574	V372-N482 PolarHBondContact O-N 2.98Å; V480-N482 PolarHBondContact O-N 3.4Å; N482-I574 PolarHBondContact OD1-N 3.32Å
483	G	88.9	Confident	90.4	Very high	9 Å²	9	36.2 Å²	36.2	9%	0.093	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-4.2	-177	0	0	0	0	0	115.8	L481 H487	L481-G483 PolarHBondContact O-N 3.46Å; G483-H487 WeakPolarHBondContact O-CB 3.46Å; G483-H487 PolarHBondContact O-N 2.91Å; G483-H487 VanDerWaalsContact O-N 3.08Å
484	G	91.5	Very high	90.4	Very high	4 Å²	4	40.1 Å²	40.1	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	57.7	-154.3	174	0	0	0	0	0	115	L481 F486 H487 W488	L481-G484 PolarHBondContact O-N 3.19Å; L481-G484 VanDerWaalsContact O-N 3.07Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 3.47Å; G484-H487 PolarHBondContact O-N 3.06Å; G484-W488 PolarHBondContact O-N 2.94Å
485	L	90.9	Very high	90.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-33	179.7	-170.9	59.6	0	0	0	112.5	C402 I404 Y451 D452 V455 W488 K489 V495	C402-L485 WeakPolarHBondContact O-CD2 3.35Å; I404-L485 HydrophobicContact CG1-CD1 4.13Å; Y451-L485 HydrophobicContact CD2-CB 4Å; Y451-L485 HydrophobicContact CE2-CB 3.93Å; Y451-L485 HydrophobicContact CE2-CD1 4.1Å; Y451-L485 HydrophobicContact CE2-CD2 4.45Å; Y451-L485 HydrophobicContact CE2-CG 4.39Å; D452-L485 WeakPolarHBondContact O-CB 3.46Å; D452-L485 PolarHBondContact O-N 3.12Å; D452-L485 VanDerWaalsContact O-N 3.08Å; V455-L485 HydrophobicContact CG2-CD2 3.79Å; V455-L485 HydrophobicContact CG2-CG 4.31Å; L485-W488 PolarHBondContact O-N 2.7Å; L485-K489 WeakPolarHBondContact O-CB 3.3Å; L485-K489 PolarHBondContact O-N 3.44Å; L485-V495 HydrophobicContact CD1-CG1 4.39Å
486	F	90.1	Very high	90.8	Very high	53 Å²	53	41.3 Å²	41.3	23%	0.232	24%	0.243	C	C	.	.	H	α-helix	trans	-53.7	-54.9	174.8	178.2	-90.9	0	0	0	111.6	S454 V455 G484 K489 S490 K572	S454-F486 WeakPolarHBondContact O-CB 3.34Å; S454-F486 PolarHBondContact O-N 3.08Å; V455-F486 VanDerWaalsContact O-CD2 3.28Å; V455-F486 WeakPolarHBondContact O-CD2 3.4Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 3.47Å; F486-K489 PolarHBondContact O-N 3.3Å; F486-S490 WeakPolarHBondContact O-CB 3.48Å; F486-S490 PolarHBondContact O-N 3.07Å; F486-K572 HydrophobicContact CD1-CB 4.19Å; F486-K572 HydrophobicContact CE1-CB 3.79Å; F486-K572 HydrophobicContact CE1-CG 3.78Å; F486-K572 HydrophobicContact CZ-CG 4.34Å
487	H	90.9	Very high	91	Very high	32 Å²	32	40.4 Å²	40.4	15%	0.148	24%	0.237	C	C	.	.	H	α-helix	trans	-70.1	-39.1	-177.6	-170.2	64.7	0	0	0	112.1	G483 G484 K489 S490 Q491 L573	G483-H487 WeakPolarHBondContact O-CB 3.46Å; G483-H487 PolarHBondContact O-N 2.91Å; G483-H487 VanDerWaalsContact O-N 3.08Å; G484-H487 PolarHBondContact O-N 3.06Å; H487-K489 VanDerWaalsContact C-N 3.33Å; H487-K489 PolarHBondContact O-N 3.07Å; H487-S490 WeakPolarHBondContact CA-OG 3.46Å; H487-S490 PolarHBondContact ND1-OG 3.18Å; H487-S490 PolarHBondContact O-N 3.34Å; H487-S490 VanDerWaalsContact O-N 3.17Å; H487-S490 PolarHBondContact O-OG 2.98Å; H487-Q491 PolarHBondContact NE2-NE2 3.47Å; H487-Q491 PolarHBondContact O-N 2.83Å; H487-Q491 VanDerWaalsContact O-N 3.12Å; H487-L573 HydrophobicContact CB-CD2 4.23Å
488	W	91.4	Very high	90.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-54.6	-48.6	174.8	-176.4	-91	0	0	0	111.9	A374 L377 A378 L381 I404 L481 G484 L485 Q491 R493 P494	A374-W488 HydrophobicContact CB-CE3 3.84Å; A374-W488 HydrophobicContact CB-CZ3 4.21Å; A374-W488 WeakPolarHBondContact O-CZ3 3.36Å; L377-W488 HydrophobicContact CB-CZ3 3.95Å; L377-W488 HydrophobicContact CD2-CE3 4.21Å; L377-W488 HydrophobicContact CD2-CH2 4.3Å; L377-W488 HydrophobicContact CD2-CZ3 3.78Å; L377-W488 HydrophobicContact CG-CH2 4.25Å; L377-W488 HydrophobicContact CG-CZ3 3.93Å; A378-W488 HydrophobicContact CB-CH2 4.05Å; A378-W488 HydrophobicContact CB-CZ3 4.45Å; L381-W488 HydrophobicContact CD1-CH2 4.35Å; I404-W488 HydrophobicContact CD1-CB 4.46Å; I404-W488 HydrophobicContact CD1-CD2 3.82Å; I404-W488 HydrophobicContact CD1-CE3 4.12Å; I404-W488 HydrophobicContact CD1-CG 3.97Å; I404-W488 HydrophobicContact CG1-CD2 4.11Å; I404-W488 HydrophobicContact CG1-CG 4.09Å; I404-W488 HydrophobicContact CG2-CH2 4.4Å; I404-W488 HydrophobicContact CG2-CZ2 3.94Å; L481-W488 HydrophobicContact CD2-CE3 4.29Å; G484-W488 PolarHBondContact O-N 2.94Å; L485-W488 PolarHBondContact O-N 2.7Å; W488-Q491 PolarHBondContact O-N 3.08Å; W488-R493 HydrophobicContact CD2-CB 3.81Å; W488-R493 HydrophobicContact CD2-CG 4.32Å; W488-R493 VanDerWaalsContact CE3-CD 3.41Å; W488-R493 HydrophobicContact CG-CB 4.07Å; W488-R493 HydrophobicContact CH2-CB 4.45Å; W488-R493 HydrophobicContact CZ2-CB 3.75Å; W488-R493 HydrophobicContact CZ2-CG 4.39Å; W488-R493 VanDerWaalsContact CZ3-CD 3.44Å; W488-R493 WeakPolarHBondContact O-CB 3.37Å; W488-R493 PolarHBondContact O-N 3.21Å; W488-P494 PolarHBondContact NE1-O 2.79Å
489	K	90.4	Very high	90	Very high	109 Å²	109	49.4 Å²	49.4	47%	0.474	28%	0.283	S	S	.	.	H	α-helix	trans	-68	-37.5	177.5	-168.2	174.9	-176.5	173.1	0	112.3	V455 L485 F486 H487 Q491 G492	V455-K489 HydrophobicContact CG1-CD 3.89Å; L485-K489 WeakPolarHBondContact O-CB 3.3Å; L485-K489 PolarHBondContact O-N 3.44Å; F486-K489 PolarHBondContact O-N 3.3Å; H487-K489 VanDerWaalsContact C-N 3.33Å; H487-K489 PolarHBondContact O-N 3.07Å; K489-Q491 PolarHBondContact O-N 2.96Å; K489-G492 PolarHBondContact O-N 2.78Å
490	S	88.8	Confident	88.9	Confident	77 Å²	77	51.2 Å²	51.2	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-27.2	177.7	78.6	0	0	0	0	113.4	F486 H487 G492	F486-S490 WeakPolarHBondContact O-CB 3.48Å; F486-S490 PolarHBondContact O-N 3.07Å; H487-S490 WeakPolarHBondContact CA-OG 3.46Å; H487-S490 PolarHBondContact ND1-OG 3.18Å; H487-S490 PolarHBondContact O-N 3.34Å; H487-S490 VanDerWaalsContact O-N 3.17Å; H487-S490 PolarHBondContact O-OG 2.98Å; S490-G492 VanDerWaalsContact C-N 3.29Å
491	Q	89.5	Confident	87.9	Confident	77 Å²	77	58.3 Å²	58.3	36%	0.36	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4	175.5	-68	-169.8	-19.7	0	0	113.4	A374 H487 W488 K489 R493	A374-Q491 VanDerWaalsContact CB-OE1 3.27Å; H487-Q491 PolarHBondContact NE2-NE2 3.47Å; H487-Q491 PolarHBondContact O-N 2.83Å; H487-Q491 VanDerWaalsContact O-N 3.12Å; W488-Q491 PolarHBondContact O-N 3.08Å; K489-Q491 PolarHBondContact O-N 2.96Å; Q491-R493 VanDerWaalsContact C-N 3.3Å; Q491-R493 HydrophobicContact CB-CG 4.14Å; Q491-R493 PolarHBondContact O-N 3.02Å; Q491-R493 VanDerWaalsContact OE1-CZ 3.25Å
492	G	88.6	Confident	86.9	Confident	70 Å²	70	59.7 Å²	59.7	72%	0.722	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	22.5	179.3	0	0	0	0	0	114.3	K489 S490	K489-G492 PolarHBondContact O-N 2.78Å; S490-G492 VanDerWaalsContact C-N 3.29Å
493	R	90	Very high	86	Confident	50 Å²	50	67.2 Å²	67.2	19%	0.189	37%	0.374	C	S	.	.			trans	-76.5	153.7	-178.4	-66.7	-173.3	-171.6	-83.1	-6.1	112.2	D375 W488 Q491	D375-R493 IonicContact OD1-CZ 2.91Å; D375-R493 IonicContact OD1-NH2 2.87Å; D375-R493 PolarHBondContact OD1-NH2 3.08Å; W488-R493 HydrophobicContact CD2-CB 3.81Å; W488-R493 HydrophobicContact CD2-CG 4.32Å; W488-R493 VanDerWaalsContact CE3-CD 3.41Å; W488-R493 HydrophobicContact CG-CB 4.07Å; W488-R493 HydrophobicContact CH2-CB 4.45Å; W488-R493 HydrophobicContact CZ2-CB 3.75Å; W488-R493 HydrophobicContact CZ2-CG 4.39Å; W488-R493 VanDerWaalsContact CZ3-CD 3.44Å; W488-R493 WeakPolarHBondContact O-CB 3.37Å; W488-R493 PolarHBondContact O-N 3.21Å; Q491-R493 VanDerWaalsContact C-N 3.3Å; Q491-R493 HydrophobicContact CB-CG 4.14Å; Q491-R493 PolarHBondContact O-N 3.02Å; Q491-R493 VanDerWaalsContact OE1-CZ 3.25Å
494	P	90.5	Very high	85.5	Confident	85 Å²	85	71.5 Å²	71.5	55%	0.552	40%	0.4	S	S	*	.			trans	-62.9	139.6	-177.2	25.8	-35.2	0	0	0	111.5	P405 W488	P405-P494 WeakPolarHBondContact CD-O 3.31Å; W488-P494 PolarHBondContact NE1-O 2.79Å
495	V	90.5	Very high	84.8	Confident	60 Å²	60	73.1 Å²	73.1	36%	0.364	41%	0.409	S	S	.	.			trans	-129.1	150.9	171.9	-67.3	0	0	0	0	107.9	H403 L485	H403-V495 CarbonylContact O-C 3.59Å; H403-V495 VanDerWaalsContact O-CA 3.28Å; H403-V495 WeakPolarHBondContact O-CA 3.32Å; L485-V495 HydrophobicContact CD1-CG1 4.39Å
496	T	89.8	Confident	83.7	Confident	32 Å²	32	77.3 Å²	77.3	20%	0.196	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-129.8	161.2	179.4	-171.4	0	0	0	0	110.6	H403 P405 E498	H403-T496 PolarHBondContact CE1-O 3.2Å; H403-T496 PolarHBondContact N-O 2.93Å; H403-T496 PolarHBondContact ND1-O 3.27Å; H403-T496 VanDerWaalsContact ND1-O 3.14Å; H403-T496 WeakPolarHBondContact NE2-CG2 3.13Å; H403-T496 PolarHBondContact O-N 3.29Å; P405-T496 HydrophobicContact CB-CG2 4.41Å; P405-T496 HydrophobicContact CG-CG2 4.36Å; T496-E498 PolarHBondContact OG1-N 3.2Å; T496-E498 VanDerWaalsContact OG1-N 3.11Å
497	S	86.4	Confident	82.6	Confident	74 Å²	74	75.6 Å²	75.6	52%	0.517	44%	0.436	S	S	.	.			trans	-108.4	-1.9	168.6	53.3	0	0	0	0	112.2	A400 L499	A400-S497 WeakPolarHBondContact O-CB 3.49Å; S497-L499 PolarHBondContact O-N 3.19Å
498	E	83.4	Confident	81.4	Confident	152 Å²	152	80.9 Å²	80.9	71%	0.71	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-71.4	122.1	179.9	-67.2	-177.9	170.6	0	0	111.8	H403 T496 S500	H403-E498 PolarHBondContact CE1-O 3.07Å; H403-E498 PolarHBondContact NE2-O 2.91Å; T496-E498 PolarHBondContact OG1-N 3.2Å; T496-E498 VanDerWaalsContact OG1-N 3.11Å; E498-S500 PolarHBondContact O-N 3.23Å
499	L	78.9	Confident	80	Confident	122 Å²	122	83.3 Å²	83.3	64%	0.639	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-69.2	124.8	179.9	-63	173	0	0	0	111.5	F399 S497	F399-L499 HydrophobicContact CD1-CD2 3.89Å; F399-L499 HydrophobicContact CE1-CD2 3.59Å; S497-L499 PolarHBondContact O-N 3.19Å
500	S	73.7	Confident	78.6	Confident	39 Å²	39	79.1 Å²	79.1	27%	0.273	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-84.3	119	172.1	-175.2	0	0	0	0	110.4	A407 E498 P502	A407-S500 WeakPolarHBondContact O-CB 3.24Å; E498-S500 PolarHBondContact O-N 3.23Å; S500-P502 VanDerWaalsContact O-CD 3.26Å; S500-P502 WeakPolarHBondContact O-CD 3.38Å
501	N	72.9	Confident	77.6	Confident	150 Å²	150	76.7 Å²	76.7	80%	0.802	45%	0.454	S	S	*	.			trans	-104.3	91.6	171	-76.7	-18	0	0	0	109.4
502	P	74	Confident	76.8	Confident	32 Å²	32	77.8 Å²	77.8	21%	0.208	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-66.2	143.8	179.1	30.8	-36.8	0	0	0	110.4	V408 S500	V408-P502 HydrophobicContact CG1-CG 4.21Å; V408-P502 HydrophobicContact CG2-CB 4.36Å; V408-P502 HydrophobicContact CG2-CG 3.86Å; S500-P502 VanDerWaalsContact O-CD 3.26Å; S500-P502 WeakPolarHBondContact O-CD 3.38Å
503	K	76.2	Confident	76.1	Confident	184 Å²	184	76.4 Å²	76.4	80%	0.8	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-66.5	131.5	171.5	-69.4	-175.6	179.4	-177.9	0	108.8	T505	K503-T505 PolarHBondContact O-N 2.93Å
504	P	77.3	Confident	75.6	Confident	98 Å²	98	77.3 Å²	77.3	64%	0.636	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-55.3	138.9	174.3	-26.2	34.6	0	0	0	111.5	C437	C437-P504 WeakPolarHBondContact O-CA 3.38Å
505	T	76.4	Confident	74.7	Confident	38 Å²	38	79 Å²	79	23%	0.233	46%	0.46	C	S	.	.			trans	-113.8	153.7	179.1	45.8	0	0	0	0	110.1	C437 G441 V442 D443 K503 Y507	C437-T505 WeakPolarHBondContact CB-O 3.43Å; C437-T505 PolarHBondContact O-N 3.44Å; C437-T505 PolarHBondContact SG-O 3.18Å; G441-T505 VanDerWaalsContact C-OG1 3.3Å; V442-T505 VanDerWaalsContact C-OG1 3.26Å; V442-T505 PolarHBondContact N-OG1 3.36Å; V442-T505 PolarHBondContact O-OG1 3.39Å; D443-T505 HydrophobicContact CB-CG2 4.49Å; K503-T505 PolarHBondContact O-N 2.93Å; T505-Y507 PolarHBondContact O-N 2.87Å
506	A	68.3	Low	74	Confident	88 Å²	88	80.3 Å²	80.3	73%	0.727	47%	0.472	S	S	*	.			trans	-84.6	103.6	165	0	0	0	0	0	107.8	E508	A506-E508 PolarHBondContact O-N 2.94Å
507	Y	67	Low	73.6	Confident	18 Å²	18	80.1 Å²	80.1	7%	0.071	47%	0.471	C	S	.	.			trans	-84	108.1	176	-169.8	-85.7	0	0	0	107.5	F433 C437 V442 H475 T505	F433-Y507 HydrophobicContact CB-CD1 4.4Å; F433-Y507 AromaticContact CD1-CD1 3.39Å; F433-Y507 HydrophobicContact CD1-CD1 3.39Å; F433-Y507 AromaticContact CD1-CE1 3.37Å; F433-Y507 HydrophobicContact CD1-CE1 3.37Å; F433-Y507 HydrophobicContact CD1-CG 4.49Å; F433-Y507 AromaticContact CE1-CD1 3.93Å; F433-Y507 HydrophobicContact CE1-CD1 3.93Å; F433-Y507 AromaticContact CE1-CE1 3.44Å; F433-Y507 HydrophobicContact CE1-CE1 3.44Å; F433-Y507 VanDerWaalsContact CE1-CE1 3.44Å; F433-Y507 HydrophobicContact CG-CD1 4.1Å; F433-Y507 HydrophobicContact CG-CE1 4.44Å; C437-Y507 WeakPolarHBondContact SG-CB 3.49Å; C437-Y507 PolarHBondContact SG-N 3.45Å; V442-Y507 HydrophobicContact CG1-CD2 4.42Å; V442-Y507 HydrophobicContact CG1-CE2 4.18Å; V442-Y507 WeakPolarHBondContact O-CD2 3.12Å; H475-Y507 AromaticContact ND1-CE2 3.85Å; H475-Y507 AromaticContact ND1-CZ 3.87Å; H475-Y507 PolarHBondContact ND1-OH 2.61Å; T505-Y507 PolarHBondContact O-N 2.87Å
508	E	64.8	Low	73.9	Confident	143 Å²	143	78 Å²	78	67%	0.668	46%	0.455	S	S	*	.			trans	-76.7	126.5	165	-68	-178	177.1	0	0	108.4	A506 A510	A506-E508 PolarHBondContact O-N 2.94Å; E508-A510 PolarHBondContact O-N 3.39Å; E508-A510 VanDerWaalsContact O-N 3.1Å
509	A	63.3	Low	74.3	Confident	52 Å²	52	72.9 Å²	72.9	43%	0.43	43%	0.431	S	S	.	.			trans	-48.1	122.1	177.3	0	0	0	0	0	109.9	F433 G511	F433-A509 HydrophobicContact CD2-CB 4.29Å; F433-A509 HydrophobicContact CE1-CB 4.29Å; F433-A509 HydrophobicContact CE2-CB 3.58Å; F433-A509 HydrophobicContact CZ-CB 3.59Å; A509-G511 PolarHBondContact O-N 3.46Å; A509-G511 VanDerWaalsContact O-N 3.16Å
510	A	61.3	Low	74.9	Confident	20 Å²	20	69.6 Å²	69.6	17%	0.165	42%	0.417	C	S	.	.			trans	-67	-15.1	-180	0	0	0	0	0	112.2	K444 N474 E508	K444-A510 HydrophobicContact CD-CB 4.48Å; K444-A510 HydrophobicContact CG-CB 4.18Å; N474-A510 HydrophobicContact CB-CB 4.46Å; N474-A510 PolarHBondContact ND2-O 2.83Å; N474-A510 VanDerWaalsContact ND2-O 3.08Å; N474-A510 VanDerWaalsContact O-CB 3.27Å; N474-A510 WeakPolarHBondContact O-CB 3.5Å; E508-A510 PolarHBondContact O-N 3.39Å; E508-A510 VanDerWaalsContact O-N 3.1Å
511	G	67.9	Low	75.8	Confident	27 Å²	27	68.9 Å²	68.9	28%	0.278	41%	0.409	S	S	.	.	S	Bend	trans	162.4	-177.5	174.8	0	0	0	0	0	110.2	A509	A509-G511 PolarHBondContact O-N 3.46Å; A509-G511 VanDerWaalsContact O-N 3.16Å
512	S	72	Confident	76.7	Confident	100 Å²	100	67.1 Å²	67.1	70%	0.699	40%	0.4	S	S	*	.	S	Bend	trans	-65.6	148.7	170.9	-56.8	0	0	0	0	110.7
513	P	74.8	Confident	77.5	Confident	40 Å²	40	68.9 Å²	68.9	26%	0.26	41%	0.406	S	S	.	.			trans	-56.3	140.7	174.7	-19.2	28.3	0	0	0	111.8	Y472 F473 L515	Y472-P513 HydrophobicContact CD1-CB 4.17Å; Y472-P513 HydrophobicContact CE1-CB 3.64Å; Y472-P513 HydrophobicContact CE1-CG 4.5Å; Y472-P513 HydrophobicContact CE2-CB 4.36Å; Y472-P513 CarbonylContact O-C 3.53Å; Y472-P513 VanDerWaalsContact O-CA 3.24Å; Y472-P513 WeakPolarHBondContact O-CA 3.28Å; F473-P513 HydrophobicContact CD1-CB 4.18Å; F473-P513 HydrophobicContact CD1-CG 3.91Å; F473-P513 HydrophobicContact CE1-CB 4.33Å; F473-P513 HydrophobicContact CE1-CG 3.98Å; P513-L515 HydrophobicContact CB-CD2 4.28Å; P513-L515 PolarHBondContact O-N 2.94Å
514	L	79	Confident	78.3	Confident	70 Å²	70	60.1 Å²	60.1	37%	0.366	37%	0.368	S	S	.	.			trans	-76.6	73.4	177.6	-66.4	173	0	0	0	110.1	R471 Y472 S516 T517	R471-L514 WeakPolarHBondContact O-CD1 3.2Å; Y472-L514 PolarHBondContact O-N 3.06Å; L514-S516 PolarHBondContact O-N 3.42Å; L514-S516 VanDerWaalsContact O-N 3.07Å; L514-T517 HydrophobicContact CB-CG2 3.88Å; L514-T517 HydrophobicContact CD1-CG2 4.48Å; L514-T517 WeakPolarHBondContact O-CB 3.4Å; L514-T517 PolarHBondContact O-N 3.13Å; L514-T517 PolarHBondContact O-OG1 2.96Å
515	L	70.3	Confident	79.1	Confident	119 Å²	119	58.1 Å²	58.1	62%	0.623	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-53.6	-32.9	-174.7	-62.6	-179.4	0	0	0	113.3	Y472 P513 T517 V518	Y472-L515 VanDerWaalsContact OH-CD2 3.3Å; Y472-L515 WeakPolarHBondContact OH-CD2 3.45Å; P513-L515 HydrophobicContact CB-CD2 4.28Å; P513-L515 PolarHBondContact O-N 2.94Å; L515-T517 PolarHBondContact O-N 3.23Å; L515-T517 VanDerWaalsContact O-N 3.14Å; L515-V518 PolarHBondContact O-N 3.01Å; L515-V518 VanDerWaalsContact O-N 3.08Å
516	S	76.9	Confident	79.8	Confident	88 Å²	88	58.4 Å²	58.4	62%	0.615	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62	-20.4	177.1	57.2	0	0	0	0	114.4	L514 V518 S621	L514-S516 PolarHBondContact O-N 3.42Å; L514-S516 VanDerWaalsContact O-N 3.07Å; S516-V518 VanDerWaalsContact C-N 3.29Å; S516-S621 PolarHBondContact O-OG 2.97Å
517	T	82	Confident	81	Confident	28 Å²	28	55 Å²	55	17%	0.172	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-82.9	-4.4	178.1	65.2	0	0	0	0	113	Y472 L514 L515 S621 L622	Y472-T517 WeakPolarHBondContact CD2-OG1 3.46Å; L514-T517 HydrophobicContact CB-CG2 3.88Å; L514-T517 HydrophobicContact CD1-CG2 4.48Å; L514-T517 WeakPolarHBondContact O-CB 3.4Å; L514-T517 PolarHBondContact O-N 3.13Å; L514-T517 PolarHBondContact O-OG1 2.96Å; L515-T517 PolarHBondContact O-N 3.23Å; L515-T517 VanDerWaalsContact O-N 3.14Å; T517-S621 CarbonylContact O-C 3.52Å; T517-S621 WeakPolarHBondContact O-CA 3.12Å; T517-S621 WeakPolarHBondContact O-CB 3.13Å; T517-L622 PolarHBondContact O-N 3.28Å
518	V	90.8	Very high	82.1	Confident	29 Å²	29	55.5 Å²	55.5	18%	0.176	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.6	175.7	178	0	0	0	0	109.1	L426 F468 Y472 L515 S516 L622 D624	L426-V518 HydrophobicContact CD1-CG2 3.55Å; F468-V518 HydrophobicContact CE1-CG2 4.18Å; F468-V518 HydrophobicContact CZ-CG2 4.25Å; Y472-V518 HydrophobicContact CD2-CG2 3.56Å; Y472-V518 HydrophobicContact CE2-CB 4.09Å; Y472-V518 HydrophobicContact CE2-CG2 3.35Å; L515-V518 PolarHBondContact O-N 3.01Å; L515-V518 VanDerWaalsContact O-N 3.08Å; S516-V518 VanDerWaalsContact C-N 3.29Å; V518-L622 CarbonylContact C-O 3.57Å; V518-L622 VanDerWaalsContact CA-O 3.31Å; V518-L622 WeakPolarHBondContact CA-O 3.43Å; V518-D624 HydrophobicContact CG1-CB 4.07Å
519	K	91.8	Very high	83.2	Confident	46 Å²	46	57.7 Å²	57.7	20%	0.2	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.9	177.8	-68.3	-60.4	-172.9	-175.7	0	111.1	E523 V524 V596 L622	K519-E523 VanDerWaalsContact CA-OE2 3.31Å; K519-E523 WeakPolarHBondContact CA-OE2 3.36Å; K519-E523 HydrophobicContact CD-CB 4.23Å; K519-E523 VanDerWaalsContact CD-CD 3.47Å; K519-E523 WeakPolarHBondContact CD-OE1 3.31Å; K519-E523 WeakPolarHBondContact CD-OE2 3.42Å; K519-E523 IonicContact NZ-OE1 3.14Å; K519-E523 PolarHBondContact NZ-OE1 3.15Å; K519-E523 IonicContact NZ-OE2 3.08Å; K519-V524 HydrophobicContact CB-CG2 4.19Å; K519-V596 HydrophobicContact CB-CG1 4.25Å; K519-V596 HydrophobicContact CG-CG1 3.97Å; K519-V596 HydrophobicContact CG-CG2 3.88Å; K519-L622 PolarHBondContact N-O 3.34Å
520	S	91.9	Very high	84.6	Confident	52 Å²	52	62.4 Å²	62.4	36%	0.364	35%	0.347	S	S	.	.			trans	-79	165.4	173.6	76.5	0	0	0	0	111.5	D522 E523 V524	S520-D522 VanDerWaalsContact C-N 3.29Å; S520-D522 PolarHBondContact O-N 3.32Å; S520-D522 PolarHBondContact OG-N 3.08Å; S520-E523 PolarHBondContact N-OE2 3.04Å; S520-E523 PolarHBondContact O-N 3.13Å; S520-E523 PolarHBondContact OG-N 3.14Å; S520-V524 WeakPolarHBondContact O-CG2 3.45Å; S520-V524 PolarHBondContact O-N 2.94Å
521	F	92.1	Very high	85.9	Confident	24 Å²	24	69.9 Å²	69.9	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-54.9	-45.5	172.2	171.2	-98.6	0	0	0	111.8	E523 V524 L525 Y623 Q629 W630 L633 A634	F521-E523 VanDerWaalsContact C-N 3.33Å; F521-E523 PolarHBondContact O-N 3.04Å; F521-V524 PolarHBondContact O-N 3.01Å; F521-L525 HydrophobicContact CE1-CD2 3.97Å; F521-L525 HydrophobicContact CZ-CD2 4.28Å; F521-L525 WeakPolarHBondContact O-CB 3.29Å; F521-L525 PolarHBondContact O-N 3.3Å; F521-Y623 HydrophobicContact CB-CE2 4.45Å; F521-Q629 HydrophobicContact CD2-CG 4.48Å; F521-W630 AromaticContact CD2-CE3 3.9Å; F521-W630 HydrophobicContact CD2-CE3 3.9Å; F521-W630 HydrophobicContact CD2-CZ3 4.25Å; F521-W630 HydrophobicContact CE2-CD2 4.32Å; F521-W630 AromaticContact CE2-CE3 3.63Å; F521-W630 HydrophobicContact CE2-CE3 3.63Å; F521-W630 AromaticContact CE2-CZ3 3.92Å; F521-W630 HydrophobicContact CE2-CZ3 3.92Å; F521-L633 HydrophobicContact CB-CD1 4.31Å; F521-L633 HydrophobicContact CD1-CB 4.4Å; F521-L633 HydrophobicContact CD1-CD1 3.99Å; F521-L633 HydrophobicContact CD2-CB 4.07Å; F521-L633 HydrophobicContact CD2-CD1 4.06Å; F521-L633 HydrophobicContact CE1-CB 3.94Å; F521-L633 HydrophobicContact CE1-CD1 4.33Å; F521-L633 HydrophobicContact CE2-CB 3.58Å; F521-L633 HydrophobicContact CE2-CD1 4.4Å; F521-L633 HydrophobicContact CG-CB 4.45Å; F521-L633 HydrophobicContact CG-CD1 3.84Å; F521-L633 HydrophobicContact CZ-CB 3.5Å; F521-L633 VanDerWaalsContact CZ-CB 3.5Å; F521-A634 HydrophobicContact CE2-CB 4.08Å; F521-A634 HydrophobicContact CZ-CB 4.15Å
522	D	92.2	Very high	87	Confident	114 Å²	114	72.8 Å²	72.8	61%	0.61	39%	0.389	S	S	*	.	H	α-helix	trans	-63.1	-38.1	-178.1	-59.4	-40.3	0	0	0	112.4	S520 L525 S526	S520-D522 VanDerWaalsContact C-N 3.29Å; S520-D522 PolarHBondContact O-N 3.32Å; S520-D522 PolarHBondContact OG-N 3.08Å; D522-L525 PolarHBondContact O-N 2.68Å; D522-S526 WeakPolarHBondContact O-CB 3.48Å; D522-S526 PolarHBondContact O-N 2.85Å
523	E	92.3	Very high	88	Confident	68 Å²	68	69 Å²	69	32%	0.318	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-43.9	175.8	-71.6	-178	104	0	0	111.3	K519 S520 F521 S526 N527	K519-E523 VanDerWaalsContact CA-OE2 3.31Å; K519-E523 WeakPolarHBondContact CA-OE2 3.36Å; K519-E523 HydrophobicContact CD-CB 4.23Å; K519-E523 VanDerWaalsContact CD-CD 3.47Å; K519-E523 WeakPolarHBondContact CD-OE1 3.31Å; K519-E523 WeakPolarHBondContact CD-OE2 3.42Å; K519-E523 IonicContact NZ-OE1 3.14Å; K519-E523 PolarHBondContact NZ-OE1 3.15Å; K519-E523 IonicContact NZ-OE2 3.08Å; S520-E523 PolarHBondContact N-OE2 3.04Å; S520-E523 PolarHBondContact O-N 3.13Å; S520-E523 PolarHBondContact OG-N 3.14Å; F521-E523 VanDerWaalsContact C-N 3.33Å; F521-E523 PolarHBondContact O-N 3.04Å; E523-S526 PolarHBondContact O-N 2.78Å; E523-S526 PolarHBondContact O-OG 3.08Å; E523-N527 PolarHBondContact O-N 3.04Å
524	V	92.6	Very high	89	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-42	176.7	-180	0	0	0	0	111.2	K519 S520 F521 S526 N527 V528 F533 L535 I555 Y623 W630	K519-V524 HydrophobicContact CB-CG2 4.19Å; S520-V524 WeakPolarHBondContact O-CG2 3.45Å; S520-V524 PolarHBondContact O-N 2.94Å; F521-V524 PolarHBondContact O-N 3.01Å; V524-S526 VanDerWaalsContact C-N 3.34Å; V524-S526 PolarHBondContact O-N 3.2Å; V524-N527 WeakPolarHBondContact O-CB 3.47Å; V524-N527 PolarHBondContact O-N 3.02Å; V524-N527 VanDerWaalsContact O-N 3.14Å; V524-V528 PolarHBondContact O-N 3.18Å; V524-F533 HydrophobicContact CG2-CZ 4.34Å; V524-L535 HydrophobicContact CG1-CD2 4.23Å; V524-I555 HydrophobicContact CG1-CD1 4.18Å; V524-I555 HydrophobicContact CG1-CG2 4.28Å; V524-Y623 HydrophobicContact CG1-CD1 4.49Å; V524-Y623 HydrophobicContact CG2-CD1 4.17Å; V524-Y623 HydrophobicContact CG2-CD2 3.83Å; V524-Y623 HydrophobicContact CG2-CE2 4.32Å; V524-Y623 HydrophobicContact CG2-CG 3.77Å; V524-W630 HydrophobicContact CB-CZ3 4.17Å; V524-W630 HydrophobicContact CG1-CE3 4.15Å; V524-W630 HydrophobicContact CG1-CH2 4.35Å; V524-W630 HydrophobicContact CG1-CZ3 3.67Å
525	L	92.8	Very high	89.7	Confident	56 Å²	56	66 Å²	66	29%	0.293	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-43	174.8	-177.1	62.5	0	0	0	111.7	F521 D522 N527 V528 W630 L638	F521-L525 HydrophobicContact CE1-CD2 3.97Å; F521-L525 HydrophobicContact CZ-CD2 4.28Å; F521-L525 WeakPolarHBondContact O-CB 3.29Å; F521-L525 PolarHBondContact O-N 3.3Å; D522-L525 PolarHBondContact O-N 2.68Å; L525-N527 VanDerWaalsContact C-N 3.27Å; L525-N527 PolarHBondContact O-N 3.24Å; L525-V528 WeakPolarHBondContact O-CB 3.19Å; L525-V528 PolarHBondContact O-N 3.5Å; L525-W630 HydrophobicContact CB-CH2 4.39Å; L525-W630 HydrophobicContact CB-CZ3 4.3Å; L525-W630 HydrophobicContact CD1-CH2 3.97Å; L525-L638 HydrophobicContact CD1-CD1 3.49Å; L525-L638 VanDerWaalsContact CD1-CD1 3.49Å
526	S	92.4	Very high	91	Very high	44 Å²	44	60.4 Å²	60.4	31%	0.308	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-33	176.2	82.6	0	0	0	0	112.6	D522 E523 V524 V528 K529 K530	D522-S526 WeakPolarHBondContact O-CB 3.48Å; D522-S526 PolarHBondContact O-N 2.85Å; E523-S526 PolarHBondContact O-N 2.78Å; E523-S526 PolarHBondContact O-OG 3.08Å; V524-S526 VanDerWaalsContact C-N 3.34Å; V524-S526 PolarHBondContact O-N 3.2Å; S526-V528 VanDerWaalsContact C-N 3.33Å; S526-V528 PolarHBondContact O-N 2.83Å; S526-K529 PolarHBondContact O-N 2.91Å; S526-K530 WeakPolarHBondContact O-CG 3.24Å; S526-K530 PolarHBondContact O-N 3.18Å
527	N	92.5	Very high	91.8	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-30	179.7	-170.6	64.5	0	0	0	112.9	E523 V524 L525 K529 K530 K531 T532 F533	E523-N527 PolarHBondContact O-N 3.04Å; V524-N527 WeakPolarHBondContact O-CB 3.47Å; V524-N527 PolarHBondContact O-N 3.02Å; V524-N527 VanDerWaalsContact O-N 3.14Å; L525-N527 VanDerWaalsContact C-N 3.27Å; L525-N527 PolarHBondContact O-N 3.24Å; N527-K529 PolarHBondContact O-N 3.07Å; N527-K530 PolarHBondContact O-N 3.46Å; N527-K531 WeakPolarHBondContact O-CA 3.48Å; N527-K531 PolarHBondContact O-N 2.8Å; N527-T532 PolarHBondContact OD1-N 2.97Å; N527-T532 PolarHBondContact OD1-OG1 3.29Å; N527-F533 HydrophobicContact CB-CD1 4.11Å; N527-F533 HydrophobicContact CB-CD2 4.36Å; N527-F533 HydrophobicContact CB-CE1 3.46Å; N527-F533 VanDerWaalsContact CB-CE1 3.46Å; N527-F533 HydrophobicContact CB-CE2 3.74Å; N527-F533 HydrophobicContact CB-CZ 3.26Å; N527-F533 VanDerWaalsContact ND2-CD2 3.32Å; N527-F533 WeakPolarHBondContact ND2-CD2 3.33Å; N527-F533 WeakPolarHBondContact ND2-CE2 3.46Å; N527-F533 PolarHBondContact ND2-O 3.38Å; N527-F533 WeakPolarHBondContact OD1-CD1 3.22Å; N527-F533 WeakPolarHBondContact OD1-CG 3.26Å; N527-F533 PolarHBondContact OD1-N 3.1Å; N527-F533 PolarHBondContact OD1-O 3.29Å
528	V	89.7	Confident	92.4	Very high	30 Å²	30	55 Å²	55	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-55.2	-38.3	173.7	174.8	0	0	0	0	111	V524 L525 S526 I555 P556 W630 L638	V524-V528 PolarHBondContact O-N 3.18Å; L525-V528 WeakPolarHBondContact O-CB 3.19Å; L525-V528 PolarHBondContact O-N 3.5Å; S526-V528 VanDerWaalsContact C-N 3.33Å; S526-V528 PolarHBondContact O-N 2.83Å; V528-I555 HydrophobicContact CG2-CG2 4.14Å; V528-P556 HydrophobicContact CG1-CB 3.98Å; V528-P556 HydrophobicContact CG1-CG 4.1Å; V528-W630 HydrophobicContact CG2-CH2 3.79Å; V528-W630 HydrophobicContact CG2-CZ2 4.17Å; V528-L638 HydrophobicContact CG1-CD2 4.31Å
529	K	88.5	Confident	92.5	Very high	188 Å²	188	54.2 Å²	54.2	82%	0.817	27%	0.268	S	S	*	.	H	α-helix	trans	-85.5	-46.9	177.4	-61.4	-175.9	-178.6	179	0	112.7	S526 N527	S526-K529 PolarHBondContact O-N 2.91Å; N527-K529 PolarHBondContact O-N 3.07Å
530	K	91.9	Very high	92.5	Very high	151 Å²	151	55.5 Å²	55.5	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-84.5	-23	-170.4	-64.2	-179.6	177.3	176.8	0	114.6	S526 N527 T532	S526-K530 WeakPolarHBondContact O-CG 3.24Å; S526-K530 PolarHBondContact O-N 3.18Å; N527-K530 PolarHBondContact O-N 3.46Å; K530-T532 VanDerWaalsContact C-N 3.27Å; K530-T532 HydrophobicContact CB-CG2 3.89Å; K530-T532 PolarHBondContact O-N 3.43Å
531	K	90.2	Very high	92.4	Very high	177 Å²	177	55.9 Å²	55.9	77%	0.77	28%	0.284	S	S	*	.			trans	50.4	43	-176	-59.2	-177.4	178.7	-179.3	0	113.6	N527	N527-K531 WeakPolarHBondContact O-CA 3.48Å; N527-K531 PolarHBondContact O-N 2.8Å
532	T	90.8	Very high	92.3	Very high	88 Å²	88	59.8 Å²	59.8	54%	0.54	31%	0.306	S	S	.	.			trans	-72.1	-32.7	-179.5	44.7	0	0	0	0	113.8	N527 K530	N527-T532 PolarHBondContact OD1-N 2.97Å; N527-T532 PolarHBondContact OD1-OG1 3.29Å; K530-T532 VanDerWaalsContact C-N 3.27Å; K530-T532 HydrophobicContact CB-CG2 3.89Å; K530-T532 PolarHBondContact O-N 3.43Å
533	F	93.4	Very high	92.1	Very high	22 Å²	22	56.9 Å²	56.9	10%	0.096	29%	0.29	C	S	.	.	S	Bend	trans	-136.3	157.7	-179.2	57.9	-104.4	0	0	0	111.4	V524 N527 D594 V596	V524-F533 HydrophobicContact CG2-CZ 4.34Å; N527-F533 HydrophobicContact CB-CD1 4.11Å; N527-F533 HydrophobicContact CB-CD2 4.36Å; N527-F533 HydrophobicContact CB-CE1 3.46Å; N527-F533 VanDerWaalsContact CB-CE1 3.46Å; N527-F533 HydrophobicContact CB-CE2 3.74Å; N527-F533 HydrophobicContact CB-CZ 3.26Å; N527-F533 VanDerWaalsContact ND2-CD2 3.32Å; N527-F533 WeakPolarHBondContact ND2-CD2 3.33Å; N527-F533 WeakPolarHBondContact ND2-CE2 3.46Å; N527-F533 PolarHBondContact ND2-O 3.38Å; N527-F533 WeakPolarHBondContact OD1-CD1 3.22Å; N527-F533 WeakPolarHBondContact OD1-CG 3.26Å; N527-F533 PolarHBondContact OD1-N 3.1Å; N527-F533 PolarHBondContact OD1-O 3.29Å; F533-D594 HydrophobicContact CB-CB 3.8Å; F533-V596 HydrophobicContact CB-CG2 4.18Å; F533-V596 HydrophobicContact CD1-CG2 4.13Å; F533-V596 HydrophobicContact CD2-CB 3.66Å; F533-V596 HydrophobicContact CD2-CG2 3.25Å; F533-V596 HydrophobicContact CE1-CG2 4.3Å; F533-V596 HydrophobicContact CE2-CB 3.7Å; F533-V596 HydrophobicContact CE2-CG1 4.21Å; F533-V596 HydrophobicContact CE2-CG2 3.47Å; F533-V596 VanDerWaalsContact CE2-CG2 3.47Å; F533-V596 HydrophobicContact CG-CB 4.48Å; F533-V596 HydrophobicContact CG-CG2 3.6Å; F533-V596 HydrophobicContact CZ-CG2 3.98Å
534	Q	94.4	Very high	92.1	Very high	41 Å²	41	54 Å²	54	19%	0.192	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.7	174.8	-64.6	165.9	99.4	0	0	109.6	N590 D594 I595 V596	Q534-N590 PolarHBondContact NE2-O 3.21Å; Q534-D594 PolarHBondContact N-O 2.81Å; Q534-I595 WeakPolarHBondContact O-CA 3.37Å; Q534-V596 PolarHBondContact O-N 2.81Å
535	L	95.2	Very high	91.9	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.5	178.6	-174.5	63	0	0	0	109.4	V524 I555 A558 I559 V596	V524-L535 HydrophobicContact CG1-CD2 4.23Å; L535-I555 HydrophobicContact CD2-CB 3.65Å; L535-I555 HydrophobicContact CD2-CD1 3.93Å; L535-I555 HydrophobicContact CD2-CG1 4.35Å; L535-I555 HydrophobicContact CD2-CG2 3.48Å; L535-I555 VanDerWaalsContact CD2-CG2 3.48Å; L535-A558 HydrophobicContact CB-CB 4.37Å; L535-A558 HydrophobicContact CD2-CB 4.07Å; L535-A558 HydrophobicContact CG-CB 4.13Å; L535-A558 CarbonylContact O-C 3.53Å; L535-A558 VanDerWaalsContact O-CA 3.26Å; L535-A558 WeakPolarHBondContact O-CA 3.42Å; L535-I559 PolarHBondContact O-N 2.98Å; L535-V596 CarbonylContact C-O 3.53Å; L535-V596 WeakPolarHBondContact CA-O 3.33Å; L535-V596 HydrophobicContact CD1-CB 4.09Å; L535-V596 HydrophobicContact CD1-CG1 3.93Å
536	L	95.9	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.6	178.6	-53	-177.3	0	0	0	110	I559 I561 V589 I595 V596 C597 S598 I608 L612	L536-I559 CarbonylContact C-O 3.54Å; L536-I559 WeakPolarHBondContact CA-O 3.42Å; L536-I559 HydrophobicContact CD2-CB 3.83Å; L536-I559 HydrophobicContact CD2-CD1 4.22Å; L536-I559 HydrophobicContact CD2-CG1 4.48Å; L536-I559 HydrophobicContact CD2-CG2 4.35Å; L536-I561 HydrophobicContact CD1-CD1 4.19Å; L536-I561 HydrophobicContact CD2-CD1 4.26Å; L536-V589 HydrophobicContact CD1-CG1 4.31Å; L536-V589 HydrophobicContact CD1-CG2 4.41Å; L536-V589 HydrophobicContact CD2-CG1 4.27Å; L536-V589 HydrophobicContact CD2-CG2 3.55Å; L536-I595 HydrophobicContact CD1-CG2 3.42Å; L536-I595 VanDerWaalsContact CD1-CG2 3.42Å; L536-I595 HydrophobicContact CG-CG2 3.77Å; L536-V596 PolarHBondContact N-O 2.99Å; L536-C597 CarbonylContact O-C 3.49Å; L536-C597 WeakPolarHBondContact O-CA 3.29Å; L536-S598 PolarHBondContact O-N 3.46Å; L536-I608 HydrophobicContact CB-CD1 4.36Å; L536-I608 HydrophobicContact CD1-CG2 3.92Å; L536-L612 HydrophobicContact CD1-CD1 4.13Å
537	D	95.2	Very high	91	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.2	178.5	-163.5	-43.3	0	0	0	111.6	R539 F544 I559 I561 S598	D537-R539 VanDerWaalsContact OD1-CB 3.24Å; D537-R539 WeakPolarHBondContact OD1-CB 3.5Å; D537-R539 VanDerWaalsContact OD1-CG 3.28Å; D537-R539 WeakPolarHBondContact OD1-CG 3.3Å; D537-R539 PolarHBondContact OD1-N 2.97Å; D537-R539 IonicContact OD1-NE 3.88Å; D537-R539 PolarHBondContact OD1-NE 3.17Å; D537-R539 VanDerWaalsContact OD1-NE 3.14Å; D537-R539 IonicContact OD2-CZ 3.21Å; D537-R539 VanDerWaalsContact OD2-CZ 3.32Å; D537-R539 IonicContact OD2-NE 3.97Å; D537-R539 PolarHBondContact OD2-NE 2.68Å; D537-R539 VanDerWaalsContact OD2-NE 3.08Å; D537-R539 IonicContact OD2-NH2 2.67Å; D537-R539 PolarHBondContact OD2-NH2 2.68Å; D537-F544 HydrophobicContact CB-CD2 3.75Å; D537-F544 HydrophobicContact CB-CE2 3.84Å; D537-I559 PolarHBondContact N-O 3.5Å; D537-I561 CarbonylContact O-C 3.53Å; D537-I561 PolarHBondContact O-N 3.42Å; D537-S598 WeakPolarHBondContact CA-O 3.46Å
538	A	94.1	Very high	90.2	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.017	30%	0.303	C	S	.	.			trans	-85.7	-1.9	-177.9	0	0	0	0	0	115.6	I561 L563 S598 C599 I608	A538-I561 WeakPolarHBondContact CA-O 3.5Å; A538-L563 PolarHBondContact O-N 2.72Å; A538-S598 PolarHBondContact N-O 2.89Å; A538-C599 HydrophobicContact CB-CB 3.95Å; A538-I608 HydrophobicContact CB-CD1 3.49Å; A538-I608 VanDerWaalsContact CB-CD1 3.49Å; A538-I608 HydrophobicContact CB-CG1 3.98Å
539	R	92.2	Very high	89	Confident	12 Å²	12	65.6 Å²	65.6	5%	0.045	34%	0.337	C	S	.	.	S	Bend	trans	-69.4	153.8	-178.7	-69.8	179.3	-67	151.7	2.6	111.6	D537 L543 L551 G553 N560 C599	D537-R539 VanDerWaalsContact OD1-CB 3.24Å; D537-R539 WeakPolarHBondContact OD1-CB 3.5Å; D537-R539 VanDerWaalsContact OD1-CG 3.28Å; D537-R539 WeakPolarHBondContact OD1-CG 3.3Å; D537-R539 PolarHBondContact OD1-N 2.97Å; D537-R539 IonicContact OD1-NE 3.88Å; D537-R539 PolarHBondContact OD1-NE 3.17Å; D537-R539 VanDerWaalsContact OD1-NE 3.14Å; D537-R539 IonicContact OD2-CZ 3.21Å; D537-R539 VanDerWaalsContact OD2-CZ 3.32Å; D537-R539 IonicContact OD2-NE 3.97Å; D537-R539 PolarHBondContact OD2-NE 2.68Å; D537-R539 VanDerWaalsContact OD2-NE 3.08Å; D537-R539 IonicContact OD2-NH2 2.67Å; D537-R539 PolarHBondContact OD2-NH2 2.68Å; R539-L543 HydrophobicContact CB-CB 4.41Å; R539-L551 PolarHBondContact NH1-O 3.45Å; R539-L551 VanDerWaalsContact NH1-O 3.15Å; R539-G553 PolarHBondContact NH1-O 2.76Å; R539-G553 PolarHBondContact NH2-O 2.87Å; R539-N560 PolarHBondContact O-ND2 2.74Å; R539-C599 HydrophobicContact CG-CB 4.22Å
540	P	91.4	Very high	88	Confident	73 Å²	73	65 Å²	65	47%	0.474	33%	0.334	S	S	.	.			trans	-50.7	144	168.1	-24.7	32.9	0	0	0	111.8	D542 L543 F544	P540-D542 PolarHBondContact O-N 3.36Å; P540-L543 HydrophobicContact CG-CD1 4.48Å; P540-L543 PolarHBondContact O-N 3.33Å; P540-F544 PolarHBondContact O-N 3.18Å; P540-F544 VanDerWaalsContact O-N 3.12Å
541	S	91	Very high	87.2	Confident	61 Å²	61	62.7 Å²	62.7	43%	0.427	33%	0.329	S	S	.	.	H	α-helix	trans	-57.5	-34.8	-176	-51.4	0	0	0	0	112.6	L543 F544 A545 N560 P562	S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 3.2Å; S541-F544 PolarHBondContact O-N 3.12Å; S541-A545 WeakPolarHBondContact O-CB 3.41Å; S541-A545 PolarHBondContact O-N 3Å; S541-N560 PolarHBondContact OG-OD1 3.28Å; S541-P562 VanDerWaalsContact OG-CG 3.32Å; S541-P562 WeakPolarHBondContact OG-CG 3.31Å
542	D	89.1	Confident	86.8	Confident	105 Å²	105	54.9 Å²	54.9	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-62.4	-36.9	177.1	-57.8	-31.7	0	0	0	113.5	P540 G546 N547	P540-D542 PolarHBondContact O-N 3.36Å; D542-G546 PolarHBondContact O-N 3.43Å; D542-N547 PolarHBondContact O-N 2.94Å; D542-N547 VanDerWaalsContact O-N 3.16Å
543	L	89.1	Confident	86.7	Confident	53 Å²	53	50.7 Å²	50.7	28%	0.277	27%	0.271	S	S	.	.	H	α-helix	trans	-75.3	-37.7	176	-69.5	-177.6	0	0	0	111.2	R539 P540 S541 S552 G553	R539-L543 HydrophobicContact CB-CB 4.41Å; P540-L543 HydrophobicContact CG-CD1 4.48Å; P540-L543 PolarHBondContact O-N 3.33Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 3.2Å; L543-S552 CarbonylContact O-C 3.6Å; L543-S552 VanDerWaalsContact O-CA 3.28Å; L543-S552 WeakPolarHBondContact O-CA 3.18Å; L543-G553 PolarHBondContact O-N 3.11Å
544	F	90.9	Very high	86.6	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.039	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-42.9	177.8	179.5	-87	0	0	0	112	D537 P540 S541 G546 G553 H554 A558 N560	D537-F544 HydrophobicContact CB-CD2 3.75Å; D537-F544 HydrophobicContact CB-CE2 3.84Å; P540-F544 PolarHBondContact O-N 3.18Å; P540-F544 VanDerWaalsContact O-N 3.12Å; S541-F544 PolarHBondContact O-N 3.12Å; F544-G546 VanDerWaalsContact C-N 3.31Å; F544-G546 PolarHBondContact O-N 3.21Å; F544-G553 CarbonylContact O-C 3.31Å; F544-G553 VanDerWaalsContact O-C 3.31Å; F544-G553 WeakPolarHBondContact O-CA 3.42Å; F544-H554 HydrophobicContact CD1-CB 4.42Å; F544-H554 AromaticContact CD1-ND1 3.82Å; F544-H554 HydrophobicContact CD2-CB 3.41Å; F544-H554 VanDerWaalsContact CD2-CB 3.41Å; F544-H554 AromaticContact CD2-CG 3.92Å; F544-H554 HydrophobicContact CE1-CB 4.28Å; F544-H554 AromaticContact CE1-CD2 3.96Å; F544-H554 AromaticContact CE1-CE1 3.69Å; F544-H554 AromaticContact CE1-CG 3.69Å; F544-H554 AromaticContact CE1-ND1 3.51Å; F544-H554 AromaticContact CE1-NE2 3.98Å; F544-H554 HydrophobicContact CE2-CB 3.25Å; F544-H554 AromaticContact CE2-CD2 3.8Å; F544-H554 AromaticContact CE2-CG 3.46Å; F544-H554 VanDerWaalsContact CE2-CG 3.46Å; F544-H554 HydrophobicContact CG-CB 4.01Å; F544-H554 HydrophobicContact CZ-CB 3.71Å; F544-H554 AromaticContact CZ-CD2 3.37Å; F544-H554 WeakPolarHBondContact CZ-CD2 3.47Å; F544-H554 AromaticContact CZ-CE1 3.91Å; F544-H554 AromaticContact CZ-CG 3.32Å; F544-H554 AromaticContact CZ-ND1 3.67Å; F544-H554 AromaticContact CZ-NE2 3.78Å; F544-H554 PolarHBondContact O-ND1 3.02Å; F544-A558 HydrophobicContact CE2-CB 3.96Å; F544-A558 HydrophobicContact CZ-CB 4.42Å; F544-A558 WeakPolarHBondContact CZ-O 3.12Å; F544-N560 HydrophobicContact CB-CB 4.41Å; F544-N560 WeakPolarHBondContact CB-ND2 3Å; F544-N560 HydrophobicContact CD1-CB 3.75Å; F544-N560 HydrophobicContact CD2-CB 3.83Å; F544-N560 HydrophobicContact CE1-CB 3.9Å; F544-N560 HydrophobicContact CE2-CB 3.96Å; F544-N560 HydrophobicContact CG-CB 3.73Å; F544-N560 WeakPolarHBondContact CG-ND2 3.44Å; F544-N560 HydrophobicContact CZ-CB 4Å
545	A	89.3	Confident	86.5	Confident	8 Å²	8	48.5 Å²	48.5	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-29.7	179.3	0	0	0	0	0	112.7	S541 K641 E642	S541-A545 WeakPolarHBondContact O-CB 3.41Å; S541-A545 PolarHBondContact O-N 3Å; A545-K641 CarbonylContact O-C 3.54Å; A545-K641 WeakPolarHBondContact O-CA 3.43Å; A545-E642 HydrophobicContact CB-CB 4.2Å; A545-E642 HydrophobicContact CB-CG 4.49Å; A545-E642 PolarHBondContact O-N 3.49Å
546	G	85	Confident	86.3	Confident	15 Å²	15	49.9 Å²	49.9	16%	0.155	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.5	6.7	-177.3	0	0	0	0	0	114.9	D542 F544 S548 S552	D542-G546 PolarHBondContact O-N 3.43Å; F544-G546 VanDerWaalsContact C-N 3.31Å; F544-G546 PolarHBondContact O-N 3.21Å; G546-S548 VanDerWaalsContact C-N 3.26Å; G546-S548 PolarHBondContact O-N 3.33Å; G546-S552 PolarHBondContact O-OG 2.83Å
547	N	80.7	Confident	86.1	Confident	123 Å²	123	53.1 Å²	53.1	66%	0.658	30%	0.304	S	S	*	.			trans	-77.1	-6.1	-171.4	-66.4	-23.8	0	0	0	114.6	D542	D542-N547 PolarHBondContact O-N 2.94Å; D542-N547 VanDerWaalsContact O-N 3.16Å
548	S	75.2	Confident	86	Confident	50 Å²	50	53.7 Å²	53.7	35%	0.35	31%	0.308	S	S	.	.	S	Bend	trans	-109.3	157.7	-179.4	-60.3	0	0	0	0	112	G546 S552	G546-S548 VanDerWaalsContact C-N 3.26Å; G546-S548 PolarHBondContact O-N 3.33Å; S548-S552 WeakPolarHBondContact O-CB 3.49Å; S548-S552 PolarHBondContact O-OG 2.77Å
549	E	65.1	Low	86	Confident	193 Å²	193	55.7 Å²	55.7	90%	0.902	32%	0.318	S	S	*	.	S	Bend	trans	-73.5	-30.4	-170.8	-66	-175.8	168.8	0	0	115.2
550	K	67.3	Low	86.2	Confident	175 Å²	175	56.7 Å²	56.7	76%	0.761	33%	0.325	S	S	*	.	S	Bend	trans	-127	132.6	-174.6	-69.1	-175.2	-179.9	177.6	0	112.2	S552	K550-S552 VanDerWaalsContact C-N 3.31Å; K550-S552 PolarHBondContact O-N 2.87Å
551	L	75.3	Confident	86.3	Confident	102 Å²	102	53.4 Å²	53.4	53%	0.534	30%	0.303	S	S	.	.	S	Bend	trans	56.2	41.2	-179.4	-60.4	171.4	0	0	0	113.5	R539 F627 V631	R539-L551 PolarHBondContact NH1-O 3.45Å; R539-L551 VanDerWaalsContact NH1-O 3.15Å; L551-F627 HydrophobicContact CB-CD1 4.4Å; L551-F627 WeakPolarHBondContact O-CE1 3.36Å; L551-V631 HydrophobicContact CD2-CB 4.45Å; L551-V631 HydrophobicContact CD2-CG1 4.47Å; L551-V631 HydrophobicContact CD2-CG2 4.42Å
552	S	82.7	Confident	86.5	Confident	13 Å²	13	51.8 Å²	51.8	9%	0.091	29%	0.291	C	S	.	.			trans	-104.3	155.1	178.2	71.7	0	0	0	0	112	L543 G546 S548 K550	L543-S552 CarbonylContact O-C 3.6Å; L543-S552 VanDerWaalsContact O-CA 3.28Å; L543-S552 WeakPolarHBondContact O-CA 3.18Å; G546-S552 PolarHBondContact O-OG 2.83Å; S548-S552 WeakPolarHBondContact O-CB 3.49Å; S548-S552 PolarHBondContact O-OG 2.77Å; K550-S552 VanDerWaalsContact C-N 3.31Å; K550-S552 PolarHBondContact O-N 2.87Å
553	G	88	Confident	86.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	98.6	-179.9	-169.1	0	0	0	0	0	111.5	R539 L543 F544 F627 V640	R539-G553 PolarHBondContact NH1-O 2.76Å; R539-G553 PolarHBondContact NH2-O 2.87Å; L543-G553 PolarHBondContact O-N 3.11Å; F544-G553 CarbonylContact O-C 3.31Å; F544-G553 VanDerWaalsContact O-C 3.31Å; F544-G553 WeakPolarHBondContact O-CA 3.42Å; G553-F627 VanDerWaalsContact C-CZ 3.49Å; G553-F627 WeakPolarHBondContact O-CE2 3.36Å; G553-F627 WeakPolarHBondContact O-CZ 3.4Å; G553-V640 CarbonylContact C-O 3.39Å; G553-V640 WeakPolarHBondContact CA-O 3.33Å
554	H	91.2	Very high	86.7	Confident	15 Å²	15	49 Å²	49	7%	0.069	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-145.8	168	-174.2	62.6	-87.3	0	0	0	113.3	F544 V640	F544-H554 HydrophobicContact CD1-CB 4.42Å; F544-H554 AromaticContact CD1-ND1 3.82Å; F544-H554 HydrophobicContact CD2-CB 3.41Å; F544-H554 VanDerWaalsContact CD2-CB 3.41Å; F544-H554 AromaticContact CD2-CG 3.92Å; F544-H554 HydrophobicContact CE1-CB 4.28Å; F544-H554 AromaticContact CE1-CD2 3.96Å; F544-H554 AromaticContact CE1-CE1 3.69Å; F544-H554 AromaticContact CE1-CG 3.69Å; F544-H554 AromaticContact CE1-ND1 3.51Å; F544-H554 AromaticContact CE1-NE2 3.98Å; F544-H554 HydrophobicContact CE2-CB 3.25Å; F544-H554 AromaticContact CE2-CD2 3.8Å; F544-H554 AromaticContact CE2-CG 3.46Å; F544-H554 VanDerWaalsContact CE2-CG 3.46Å; F544-H554 HydrophobicContact CG-CB 4.01Å; F544-H554 HydrophobicContact CZ-CB 3.71Å; F544-H554 AromaticContact CZ-CD2 3.37Å; F544-H554 WeakPolarHBondContact CZ-CD2 3.47Å; F544-H554 AromaticContact CZ-CE1 3.91Å; F544-H554 AromaticContact CZ-CG 3.32Å; F544-H554 AromaticContact CZ-ND1 3.67Å; F544-H554 AromaticContact CZ-NE2 3.78Å; F544-H554 PolarHBondContact O-ND1 3.02Å; H554-V640 PolarHBondContact N-O 2.84Å; H554-V640 PolarHBondContact ND1-O 3.38Å; H554-V640 PolarHBondContact O-N 3.4Å
555	I	93	Very high	86.8	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	30%	0.3	C	S	.	.			trans	-75.7	131.4	176.9	-59	176.7	0	0	0	108.2	V524 V528 L535 G557 A558 Y623 F627 W630	V524-I555 HydrophobicContact CG1-CD1 4.18Å; V524-I555 HydrophobicContact CG1-CG2 4.28Å; V528-I555 HydrophobicContact CG2-CG2 4.14Å; L535-I555 HydrophobicContact CD2-CB 3.65Å; L535-I555 HydrophobicContact CD2-CD1 3.93Å; L535-I555 HydrophobicContact CD2-CG1 4.35Å; L535-I555 HydrophobicContact CD2-CG2 3.48Å; L535-I555 VanDerWaalsContact CD2-CG2 3.48Å; I555-G557 PolarHBondContact O-N 2.96Å; I555-A558 HydrophobicContact CB-CB 4.48Å; I555-A558 WeakPolarHBondContact O-CB 3.41Å; I555-A558 PolarHBondContact O-N 2.83Å; I555-Y623 HydrophobicContact CD1-CD1 4.15Å; I555-Y623 HydrophobicContact CD1-CE1 3.92Å; I555-F627 HydrophobicContact CG1-CD2 4.25Å; I555-W630 HydrophobicContact CD1-CB 4.27Å; I555-W630 HydrophobicContact CD1-CD2 3.81Å; I555-W630 HydrophobicContact CD1-CE3 3.97Å; I555-W630 HydrophobicContact CD1-CG 3.96Å; I555-W630 HydrophobicContact CG1-CB 4.46Å; I555-W630 HydrophobicContact CG1-CD2 3.73Å; I555-W630 HydrophobicContact CG1-CE3 4.33Å; I555-W630 HydrophobicContact CG1-CG 3.77Å; I555-W630 HydrophobicContact CG1-CZ2 4.43Å; I555-W630 HydrophobicContact CG2-CD2 4.43Å; I555-W630 HydrophobicContact CG2-CH2 3.96Å; I555-W630 HydrophobicContact CG2-CZ2 3.73Å; I555-W630 HydrophobicContact CG2-CZ3 4.4Å
556	P	91.7	Very high	86.9	Confident	35 Å²	35	50.2 Å²	50.2	23%	0.227	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	128.4	-177.6	-22.9	22.9	0	0	0	113	V528 A558 L638 V640	V528-P556 HydrophobicContact CG1-CB 3.98Å; V528-P556 HydrophobicContact CG1-CG 4.1Å; P556-A558 VanDerWaalsContact C-N 3.31Å; P556-L638 WeakPolarHBondContact CD-O 3.38Å; P556-L638 HydrophobicContact CG-CD2 4.45Å; P556-V640 HydrophobicContact CB-CG2 3.94Å; P556-V640 HydrophobicContact CG-CG2 3.72Å
557	G	90.6	Very high	87.3	Confident	69 Å²	69	50.7 Å²	50.7	71%	0.711	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	5.7	-179.2	0	0	0	0	0	115.2	I555	I555-G557 PolarHBondContact O-N 2.96Å
558	A	93.5	Very high	87.8	Confident	12 Å²	12	46.1 Å²	46.1	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146	171.1	0	0	0	0	0	111.7	L535 F544 I555 P556	L535-A558 HydrophobicContact CB-CB 4.37Å; L535-A558 HydrophobicContact CD2-CB 4.07Å; L535-A558 HydrophobicContact CG-CB 4.13Å; L535-A558 CarbonylContact O-C 3.53Å; L535-A558 VanDerWaalsContact O-CA 3.26Å; L535-A558 WeakPolarHBondContact O-CA 3.42Å; F544-A558 HydrophobicContact CE2-CB 3.96Å; F544-A558 HydrophobicContact CZ-CB 4.42Å; F544-A558 WeakPolarHBondContact CZ-O 3.12Å; I555-A558 HydrophobicContact CB-CB 4.48Å; I555-A558 WeakPolarHBondContact O-CB 3.41Å; I555-A558 PolarHBondContact O-N 2.83Å; P556-A558 VanDerWaalsContact C-N 3.31Å
559	I	94.4	Very high	88.3	Confident	44 Å²	44	48.4 Å²	48.4	23%	0.226	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	175.1	-58.4	170.6	0	0	0	108.1	L535 L536 D537 I561 A587 V589	L535-I559 PolarHBondContact O-N 2.98Å; L536-I559 CarbonylContact C-O 3.54Å; L536-I559 WeakPolarHBondContact CA-O 3.42Å; L536-I559 HydrophobicContact CD2-CB 3.83Å; L536-I559 HydrophobicContact CD2-CD1 4.22Å; L536-I559 HydrophobicContact CD2-CG1 4.48Å; L536-I559 HydrophobicContact CD2-CG2 4.35Å; D537-I559 PolarHBondContact N-O 3.5Å; I559-I561 HydrophobicContact CG2-CG1 4.43Å; I559-A587 HydrophobicContact CG2-CB 4.21Å; I559-A587 WeakPolarHBondContact CG2-O 3.43Å; I559-V589 HydrophobicContact CD1-CG2 4.18Å; I559-V589 HydrophobicContact CG2-CG2 4.37Å
560	N	95.1	Very high	89.3	Confident	34 Å²	34	48.3 Å²	48.3	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.4	179.8	-172.9	-113.2	0	0	0	111.6	R539 S541 F544 P562	R539-N560 PolarHBondContact O-ND2 2.74Å; S541-N560 PolarHBondContact OG-OD1 3.28Å; F544-N560 HydrophobicContact CB-CB 4.41Å; F544-N560 WeakPolarHBondContact CB-ND2 3Å; F544-N560 HydrophobicContact CD1-CB 3.75Å; F544-N560 HydrophobicContact CD2-CB 3.83Å; F544-N560 HydrophobicContact CE1-CB 3.9Å; F544-N560 HydrophobicContact CE2-CB 3.96Å; F544-N560 HydrophobicContact CG-CB 3.73Å; F544-N560 WeakPolarHBondContact CG-ND2 3.44Å; F544-N560 HydrophobicContact CZ-CB 4Å; N560-P562 VanDerWaalsContact OD1-CD 3.3Å; N560-P562 WeakPolarHBondContact OD1-CD 3.4Å; N560-P562 VanDerWaalsContact OD1-CG 3.22Å; N560-P562 WeakPolarHBondContact OD1-CG 3.29Å
561	I	95.1	Very high	90.2	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	27%	0.266	C	S	.	.			trans	-133.1	89.6	170.6	-59.3	-174.1	0	0	0	108.1	L536 D537 A538 I559 L563 L566 L583 F584 A587 V589 I608	L536-I561 HydrophobicContact CD1-CD1 4.19Å; L536-I561 HydrophobicContact CD2-CD1 4.26Å; D537-I561 CarbonylContact O-C 3.53Å; D537-I561 PolarHBondContact O-N 3.42Å; A538-I561 WeakPolarHBondContact CA-O 3.5Å; I559-I561 HydrophobicContact CG2-CG1 4.43Å; I561-L563 PolarHBondContact O-N 2.87Å; I561-L566 HydrophobicContact CG2-CD2 4.24Å; I561-L583 HydrophobicContact CG2-CD2 3.81Å; I561-F584 HydrophobicContact CD1-CD1 3.52Å; I561-F584 HydrophobicContact CD1-CE1 3.72Å; I561-F584 HydrophobicContact CG2-CE1 4.44Å; I561-A587 HydrophobicContact CD1-CB 4.08Å; I561-A587 HydrophobicContact CG1-CB 4.22Å; I561-V589 HydrophobicContact CD1-CG2 3.87Å; I561-I608 HydrophobicContact CB-CD1 4.07Å; I561-I608 HydrophobicContact CG2-CD1 4.41Å; I561-I608 WeakPolarHBondContact O-CD1 3.1Å
562	P	93.5	Very high	90.7	Very high	27 Å²	27	42.5 Å²	42.5	18%	0.175	26%	0.258	C	S	.	.			trans	-59.8	138.1	-177.6	-24.6	34.6	0	0	0	111.6	S541 N560 A564 S565	S541-P562 VanDerWaalsContact OG-CG 3.32Å; S541-P562 WeakPolarHBondContact OG-CG 3.31Å; N560-P562 VanDerWaalsContact OD1-CD 3.3Å; N560-P562 WeakPolarHBondContact OD1-CD 3.4Å; N560-P562 VanDerWaalsContact OD1-CG 3.22Å; N560-P562 WeakPolarHBondContact OD1-CG 3.29Å; P562-A564 PolarHBondContact O-N 2.98Å; P562-S565 WeakPolarHBondContact O-CB 3.46Å; P562-S565 PolarHBondContact O-N 3.3Å; P562-S565 PolarHBondContact O-OG 3.48Å
563	L	91.9	Very high	91.1	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.11	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-47.2	-41.2	175.6	177.1	74.1	0	0	0	113.2	L460 E461 A538 I561 S565 L566 T604 A607	L460-L563 HydrophobicContact CB-CD1 4.39Å; E461-L563 HydrophobicContact CG-CD2 3.38Å; A538-L563 PolarHBondContact O-N 2.72Å; I561-L563 PolarHBondContact O-N 2.87Å; L563-S565 PolarHBondContact O-N 2.9Å; L563-L566 HydrophobicContact CD1-CD1 4.42Å; L563-L566 WeakPolarHBondContact O-CB 3.31Å; L563-L566 PolarHBondContact O-N 2.84Å; L563-L566 VanDerWaalsContact O-N 3.08Å; L563-T604 HydrophobicContact CD2-CG2 4.49Å; L563-A607 HydrophobicContact CD1-CB 3.07Å
564	A	91.3	Very high	91.3	Very high	79 Å²	79	43.9 Å²	43.9	65%	0.653	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.7	-178.1	0	0	0	0	0	113.2	P562 L566 I567	P562-A564 PolarHBondContact O-N 2.98Å; A564-L566 VanDerWaalsContact C-N 3.26Å; A564-L566 PolarHBondContact O-N 3.39Å; A564-I567 PolarHBondContact O-N 2.8Å
565	S	92.4	Very high	91.3	Very high	43 Å²	43	44.4 Å²	44.4	30%	0.301	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-70.3	-22.1	178.7	72.1	0	0	0	0	113.1	P562 L563 I567 L575 L583	P562-S565 WeakPolarHBondContact O-CB 3.46Å; P562-S565 PolarHBondContact O-N 3.3Å; P562-S565 PolarHBondContact O-OG 3.48Å; L563-S565 PolarHBondContact O-N 2.9Å; S565-I567 VanDerWaalsContact C-N 3.31Å; S565-I567 PolarHBondContact O-N 2.93Å; S565-L575 WeakPolarHBondContact O-CD1 3.33Å; S565-L583 WeakPolarHBondContact O-CD1 3.28Å
566	L	92.8	Very high	91.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-78.8	-15.2	179.8	-55.1	177.8	0	0	0	113.2	I561 L563 A564 L575 L580 L583 F584 A607 I608 A611	I561-L566 HydrophobicContact CG2-CD2 4.24Å; L563-L566 HydrophobicContact CD1-CD1 4.42Å; L563-L566 WeakPolarHBondContact O-CB 3.31Å; L563-L566 PolarHBondContact O-N 2.84Å; L563-L566 VanDerWaalsContact O-N 3.08Å; A564-L566 VanDerWaalsContact C-N 3.26Å; A564-L566 PolarHBondContact O-N 3.39Å; L566-L575 WeakPolarHBondContact O-CG 3.42Å; L566-L575 PolarHBondContact O-N 2.63Å; L566-L580 HydrophobicContact CD2-CD2 3.93Å; L566-L583 HydrophobicContact CD2-CD2 4.46Å; L566-F584 HydrophobicContact CD2-CZ 4.26Å; L566-A607 HydrophobicContact CD1-CB 4.38Å; L566-I608 HydrophobicContact CD1-CG1 4.14Å; L566-A611 HydrophobicContact CD1-CB 4.05Å; L566-A611 HydrophobicContact CD2-CB 4.03Å
567	I	92.1	Very high	91.3	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.128	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-105.5	125.9	-175.7	-58	175	0	0	0	108.7	P458 A564 S565	P458-I567 HydrophobicContact CB-CD1 4.37Å; P458-I567 HydrophobicContact CB-CG2 4.18Å; P458-I567 HydrophobicContact CG-CD1 4.48Å; P458-I567 HydrophobicContact CG-CG2 3.84Å; A564-I567 PolarHBondContact O-N 2.8Å; S565-I567 VanDerWaalsContact C-N 3.31Å; S565-I567 PolarHBondContact O-N 2.93Å
568	N	90.9	Very high	91.4	Very high	27 Å²	27	53.1 Å²	53.1	14%	0.144	30%	0.295	C	S	.	.			trans	-65.5	124	176.6	-172.4	-53.5	0	0	0	110.1	K570 T571 K572 L573 L575	N568-K570 PolarHBondContact O-N 3.22Å; N568-K570 WeakPolarHBondContact OD1-CB 3.48Å; N568-K570 PolarHBondContact OD1-N 2.85Å; N568-T571 VanDerWaalsContact CB-OG1 3.26Å; N568-T571 WeakPolarHBondContact CB-OG1 3.17Å; N568-T571 PolarHBondContact OD1-N 2.72Å; N568-K572 VanDerWaalsContact O-CA 3.29Å; N568-K572 WeakPolarHBondContact O-CA 3.39Å; N568-K572 PolarHBondContact O-N 3.06Å; N568-L573 WeakPolarHBondContact CB-O 3.19Å; N568-L573 PolarHBondContact N-O 3.44Å; N568-L575 HydrophobicContact CB-CD2 3.79Å
569	P	86.2	Confident	91.4	Very high	98 Å²	98	56.6 Å²	56.6	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.5	-174.9	25.6	-34.6	0	0	0	113.3	K572	P569-K572 WeakPolarHBondContact O-CD 3.34Å; P569-K572 WeakPolarHBondContact O-CE 3.44Å; P569-K572 PolarHBondContact O-NZ 3.08Å
570	K	85.7	Confident	91.3	Very high	190 Å²	190	54.5 Å²	54.5	83%	0.826	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-54.2	-179.5	-65.8	-178.7	178.3	178.1	0	111.9	N568 K572	N568-K570 PolarHBondContact O-N 3.22Å; N568-K570 WeakPolarHBondContact OD1-CB 3.48Å; N568-K570 PolarHBondContact OD1-N 2.85Å; K570-K572 VanDerWaalsContact C-N 3.34Å
571	T	86.7	Confident	91.3	Very high	74 Å²	74	58.8 Å²	58.8	45%	0.454	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.6	-175.4	64.4	0	0	0	0	112.7	N568 L573	N568-T571 VanDerWaalsContact CB-OG1 3.26Å; N568-T571 WeakPolarHBondContact CB-OG1 3.17Å; N568-T571 PolarHBondContact OD1-N 2.72Å; T571-L573 PolarHBondContact O-N 3.23Å; T571-L573 PolarHBondContact OG1-N 3.19Å
572	K	86.7	Confident	91.2	Very high	81 Å²	81	63 Å²	63	35%	0.352	33%	0.334	S	S	.	.			trans	59.2	18.9	-173.8	-53.6	-56.5	-170.9	-168.3	0	113.4	P458 F486 N568 P569 K570	P458-K572 HydrophobicContact CB-CB 4.28Å; P458-K572 WeakPolarHBondContact CB-O 3.4Å; P458-K572 HydrophobicContact CG-CB 3.91Å; P458-K572 HydrophobicContact CG-CD 4.03Å; P458-K572 HydrophobicContact CG-CG 4.43Å; F486-K572 HydrophobicContact CD1-CB 4.19Å; F486-K572 HydrophobicContact CE1-CB 3.79Å; F486-K572 HydrophobicContact CE1-CG 3.78Å; F486-K572 HydrophobicContact CZ-CG 4.34Å; N568-K572 VanDerWaalsContact O-CA 3.29Å; N568-K572 WeakPolarHBondContact O-CA 3.39Å; N568-K572 PolarHBondContact O-N 3.06Å; P569-K572 WeakPolarHBondContact O-CD 3.34Å; P569-K572 WeakPolarHBondContact O-CE 3.44Å; P569-K572 PolarHBondContact O-NZ 3.08Å; K570-K572 VanDerWaalsContact C-N 3.34Å
573	L	91	Very high	91.2	Very high	34 Å²	34	63.4 Å²	63.4	18%	0.178	34%	0.335	C	S	.	.	S	Bend	trans	-103.9	162.8	174.5	-63	177.5	0	0	0	109.8	H487 N568 T571	H487-L573 HydrophobicContact CB-CD2 4.23Å; N568-L573 WeakPolarHBondContact CB-O 3.19Å; N568-L573 PolarHBondContact N-O 3.44Å; T571-L573 PolarHBondContact O-N 3.23Å; T571-L573 PolarHBondContact OG1-N 3.19Å
574	I	91.4	Very high	91.4	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.046	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-58.4	139.9	167.7	-61.7	168.2	0	0	0	108.7	L371 L460 N482 L580 L610	L371-I574 HydrophobicContact CD1-CB 4.3Å; L371-I574 HydrophobicContact CD1-CD1 3.77Å; L371-I574 HydrophobicContact CD1-CG2 4.3Å; L371-I574 HydrophobicContact CD2-CD1 3.56Å; L371-I574 HydrophobicContact CG-CD1 4.32Å; L460-I574 HydrophobicContact CD1-CD1 3.84Å; L460-I574 HydrophobicContact CD2-CD1 3.44Å; L460-I574 VanDerWaalsContact CD2-CD1 3.44Å; L460-I574 HydrophobicContact CD2-CG1 3.75Å; L460-I574 HydrophobicContact CG-CD1 4.28Å; N482-I574 PolarHBondContact OD1-N 3.32Å; I574-L580 HydrophobicContact CG2-CD1 4.07Å; I574-L610 HydrophobicContact CD1-CD2 4.48Å
575	L	92.1	Very high	91.5	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.136	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-53.7	151.9	176.3	-71.2	172.4	0	0	0	111.6	S565 L566 N568 E579 L580 L583	S565-L575 WeakPolarHBondContact O-CD1 3.33Å; L566-L575 WeakPolarHBondContact O-CG 3.42Å; L566-L575 PolarHBondContact O-N 2.63Å; N568-L575 HydrophobicContact CB-CD2 3.79Å; L575-E579 HydrophobicContact CB-CB 3.98Å; L575-E579 HydrophobicContact CD2-CB 4.23Å; L575-E579 WeakPolarHBondContact CD2-OE2 3.38Å; L575-E579 HydrophobicContact CG-CB 4.47Å; L575-L580 HydrophobicContact CB-CD2 3.76Å; L575-L580 HydrophobicContact CB-CG 3.77Å; L575-L580 HydrophobicContact CD1-CD2 4.17Å; L575-L580 WeakPolarHBondContact O-CD1 2.97Å; L575-L583 HydrophobicContact CD1-CD1 3.81Å
576	Q	91.8	Very high	91.5	Very high	113 Å²	113	67.5 Å²	67.5	53%	0.528	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-66.8	157.4	176.9	-65.7	-59.5	-46.5	0	0	110.9	D578 E579 L580	Q576-D578 PolarHBondContact O-N 3.28Å; Q576-D578 VanDerWaalsContact O-N 3.13Å; Q576-E579 HydrophobicContact CB-CG 4.47Å; Q576-E579 PolarHBondContact N-OE2 2.92Å; Q576-E579 PolarHBondContact O-N 2.98Å; Q576-L580 PolarHBondContact O-N 3.41Å
577	P	92	Very high	91.5	Very high	53 Å²	53	69.3 Å²	69.3	34%	0.344	36%	0.357	S	S	.	.	H	α-helix	trans	-52.3	-38.8	-177.4	-27.7	34.3	0	0	0	114.3	R581 V614	P577-R581 WeakPolarHBondContact O-CB 3.21Å; P577-R581 PolarHBondContact O-N 2.91Å; P577-V614 HydrophobicContact CG-CG1 3.99Å
578	D	92.5	Very high	91.5	Very high	122 Å²	122	70.7 Å²	70.7	65%	0.652	38%	0.378	S	S	*	.	H	α-helix	trans	-69	-39.4	178.2	-62.8	-36.3	0	0	0	112.6	Q576 R581 N582	Q576-D578 PolarHBondContact O-N 3.28Å; Q576-D578 VanDerWaalsContact O-N 3.13Å; D578-R581 PolarHBondContact O-N 3.23Å; D578-N582 VanDerWaalsContact O-CG 3.3Å; D578-N582 PolarHBondContact O-N 3.41Å; D578-N582 PolarHBondContact O-ND2 3.47Å
579	E	93.2	Very high	91.6	Very high	85 Å²	85	69.5 Å²	69.5	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-67.5	-43.1	176.7	-67	177	158.6	0	0	111.2	L575 Q576 R581 N582 L583	L575-E579 HydrophobicContact CB-CB 3.98Å; L575-E579 HydrophobicContact CD2-CB 4.23Å; L575-E579 WeakPolarHBondContact CD2-OE2 3.38Å; L575-E579 HydrophobicContact CG-CB 4.47Å; Q576-E579 HydrophobicContact CB-CG 4.47Å; Q576-E579 PolarHBondContact N-OE2 2.92Å; Q576-E579 PolarHBondContact O-N 2.98Å; E579-R581 VanDerWaalsContact C-N 3.35Å; E579-N582 PolarHBondContact O-N 3.25Å; E579-L583 WeakPolarHBondContact O-CB 3.38Å; E579-L583 PolarHBondContact O-N 3.19Å
580	L	93.7	Very high	91.9	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-44.7	173.8	-73.5	175.1	0	0	0	111.3	L566 I574 L575 Q576 N582 L583 F584 A611 V614 V615	L566-L580 HydrophobicContact CD2-CD2 3.93Å; I574-L580 HydrophobicContact CG2-CD1 4.07Å; L575-L580 HydrophobicContact CB-CD2 3.76Å; L575-L580 HydrophobicContact CB-CG 3.77Å; L575-L580 HydrophobicContact CD1-CD2 4.17Å; L575-L580 WeakPolarHBondContact O-CD1 2.97Å; Q576-L580 PolarHBondContact O-N 3.41Å; L580-N582 VanDerWaalsContact C-N 3.33Å; L580-N582 PolarHBondContact O-N 3.19Å; L580-L583 WeakPolarHBondContact O-CB 3.32Å; L580-L583 PolarHBondContact O-N 3.49Å; L580-F584 HydrophobicContact CB-CE2 4.29Å; L580-F584 WeakPolarHBondContact O-CD2 3.02Å; L580-F584 PolarHBondContact O-N 3.19Å; L580-A611 HydrophobicContact CD1-CB 4.1Å; L580-A611 HydrophobicContact CD2-CB 4.04Å; L580-V614 HydrophobicContact CD1-CB 4.28Å; L580-V614 HydrophobicContact CD1-CG1 4.05Å; L580-V615 HydrophobicContact CB-CG2 3.53Å; L580-V615 HydrophobicContact CD1-CG2 4.27Å
581	R	93.5	Very high	92.1	Very high	124 Å²	124	60.9 Å²	60.9	47%	0.468	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-46.3	177.2	-171.9	-177.7	-177	110.1	1.9	111.2	P577 D578 E579 F584 L585 L591 V615	P577-R581 WeakPolarHBondContact O-CB 3.21Å; P577-R581 PolarHBondContact O-N 2.91Å; D578-R581 PolarHBondContact O-N 3.23Å; E579-R581 VanDerWaalsContact C-N 3.35Å; R581-F584 PolarHBondContact O-N 3.09Å; R581-L585 HydrophobicContact CG-CD1 4.12Å; R581-L585 VanDerWaalsContact O-CG 3.28Å; R581-L585 WeakPolarHBondContact O-CG 3.48Å; R581-L585 PolarHBondContact O-N 3.41Å; R581-L591 HydrophobicContact CG-CD1 3.88Å; R581-V615 HydrophobicContact CB-CG1 4.06Å; R581-V615 HydrophobicContact CG-CG1 4.25Å
582	N	93.9	Very high	92.2	Very high	91 Å²	91	64.5 Å²	64.5	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-39.7	177.5	-70.2	-23.3	0	0	0	112.1	D578 E579 L580 L585 N586	D578-N582 VanDerWaalsContact O-CG 3.3Å; D578-N582 PolarHBondContact O-N 3.41Å; D578-N582 PolarHBondContact O-ND2 3.47Å; E579-N582 PolarHBondContact O-N 3.25Å; L580-N582 VanDerWaalsContact C-N 3.33Å; L580-N582 PolarHBondContact O-N 3.19Å; N582-L585 PolarHBondContact O-N 3.33Å; N582-N586 VanDerWaalsContact O-CB 3.29Å; N582-N586 WeakPolarHBondContact O-CB 3.5Å; N582-N586 PolarHBondContact O-N 3.08Å; N582-N586 PolarHBondContact O-ND2 3.42Å
583	L	94.3	Very high	92.3	Very high	36 Å²	36	61.6 Å²	61.6	19%	0.188	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-48.4	175.7	-174.6	159.7	0	0	0	111.4	I561 S565 L566 L575 E579 L580 N586 A587	I561-L583 HydrophobicContact CG2-CD2 3.81Å; S565-L583 WeakPolarHBondContact O-CD1 3.28Å; L566-L583 HydrophobicContact CD2-CD2 4.46Å; L575-L583 HydrophobicContact CD1-CD1 3.81Å; E579-L583 WeakPolarHBondContact O-CB 3.38Å; E579-L583 PolarHBondContact O-N 3.19Å; L580-L583 WeakPolarHBondContact O-CB 3.32Å; L580-L583 PolarHBondContact O-N 3.49Å; L583-N586 PolarHBondContact O-N 3.06Å; L583-A587 PolarHBondContact O-N 2.79Å; L583-A587 VanDerWaalsContact O-N 3.08Å
584	F	94.7	Very high	92.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-42.7	177.8	-70.3	-59.1	0	0	0	112.7	I561 L566 L580 R581 A587 G588 V589 L591 I608 A611 L612 V615	I561-F584 HydrophobicContact CD1-CD1 3.52Å; I561-F584 HydrophobicContact CD1-CE1 3.72Å; I561-F584 HydrophobicContact CG2-CE1 4.44Å; L566-F584 HydrophobicContact CD2-CZ 4.26Å; L580-F584 HydrophobicContact CB-CE2 4.29Å; L580-F584 WeakPolarHBondContact O-CD2 3.02Å; L580-F584 PolarHBondContact O-N 3.19Å; R581-F584 PolarHBondContact O-N 3.09Å; F584-A587 PolarHBondContact O-N 2.76Å; F584-G588 PolarHBondContact O-N 2.84Å; F584-V589 HydrophobicContact CB-CB 4.28Å; F584-V589 WeakPolarHBondContact O-CB 3.5Å; F584-V589 PolarHBondContact O-N 2.97Å; F584-L591 HydrophobicContact CB-CD2 3.98Å; F584-L591 HydrophobicContact CD2-CD2 4.36Å; F584-L591 HydrophobicContact CG-CD2 4.26Å; F584-I608 HydrophobicContact CE1-CG2 3.96Å; F584-I608 HydrophobicContact CZ-CG2 4.23Å; F584-A611 HydrophobicContact CE2-CB 4.33Å; F584-A611 HydrophobicContact CZ-CB 4.07Å; F584-L612 HydrophobicContact CD1-CD2 4.03Å; F584-L612 HydrophobicContact CD2-CD2 3.8Å; F584-L612 HydrophobicContact CE1-CD2 3.85Å; F584-L612 HydrophobicContact CE1-CG 4.08Å; F584-L612 HydrophobicContact CE2-CD2 3.61Å; F584-L612 HydrophobicContact CE2-CG 4.02Å; F584-L612 HydrophobicContact CG-CD2 4.03Å; F584-L612 HydrophobicContact CZ-CD2 3.65Å; F584-L612 HydrophobicContact CZ-CG 3.69Å; F584-V615 HydrophobicContact CD2-CG2 4.46Å; F584-V615 HydrophobicContact CE2-CG2 4.36Å
585	L	93.3	Very high	92.5	Very high	87 Å²	87	64.6 Å²	64.6	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-41.8	178.3	-70.5	173.2	0	0	0	112	R581 N582 A587 G588	R581-L585 HydrophobicContact CG-CD1 4.12Å; R581-L585 VanDerWaalsContact O-CG 3.28Å; R581-L585 WeakPolarHBondContact O-CG 3.48Å; R581-L585 PolarHBondContact O-N 3.41Å; N582-L585 PolarHBondContact O-N 3.33Å; L585-A587 VanDerWaalsContact C-N 3.28Å; L585-A587 PolarHBondContact O-N 3.33Å; L585-G588 PolarHBondContact O-N 2.89Å
586	N	93.3	Very high	92.6	Very high	143 Å²	143	63.4 Å²	63.4	77%	0.765	35%	0.349	S	S	*	.	H	α-helix	trans	-66.2	-31.2	177.6	-70.7	-14.4	0	0	0	112.4	N582 L583 G588	N582-N586 VanDerWaalsContact O-CB 3.29Å; N582-N586 WeakPolarHBondContact O-CB 3.5Å; N582-N586 PolarHBondContact O-N 3.08Å; N582-N586 PolarHBondContact O-ND2 3.42Å; L583-N586 PolarHBondContact O-N 3.06Å; N586-G588 PolarHBondContact O-N 3.45Å
587	A	92.6	Very high	92.8	Very high	38 Å²	38	58 Å²	58	31%	0.314	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-2	172.3	0	0	0	0	0	113.3	I559 I561 L583 F584 L585 V589	I559-A587 HydrophobicContact CG2-CB 4.21Å; I559-A587 WeakPolarHBondContact CG2-O 3.43Å; I561-A587 HydrophobicContact CD1-CB 4.08Å; I561-A587 HydrophobicContact CG1-CB 4.22Å; L583-A587 PolarHBondContact O-N 2.79Å; L583-A587 VanDerWaalsContact O-N 3.08Å; F584-A587 PolarHBondContact O-N 2.76Å; L585-A587 VanDerWaalsContact C-N 3.28Å; L585-A587 PolarHBondContact O-N 3.33Å; A587-V589 HydrophobicContact CB-CG2 4.26Å
588	G	91.6	Very high	92.9	Very high	54 Å²	54	55.5 Å²	55.5	56%	0.557	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	15.2	-179.5	0	0	0	0	0	114.5	F584 L585 N586	F584-G588 PolarHBondContact O-N 2.84Å; L585-G588 PolarHBondContact O-N 2.89Å; N586-G588 PolarHBondContact O-N 3.45Å
589	V	92.8	Very high	92.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	28%	0.276	C	S	.	.			trans	-81.4	120.9	-179.1	-174.7	0	0	0	0	110.9	L536 I559 I561 F584 A587 L591 I595	L536-V589 HydrophobicContact CD1-CG1 4.31Å; L536-V589 HydrophobicContact CD1-CG2 4.41Å; L536-V589 HydrophobicContact CD2-CG1 4.27Å; L536-V589 HydrophobicContact CD2-CG2 3.55Å; I559-V589 HydrophobicContact CD1-CG2 4.18Å; I559-V589 HydrophobicContact CG2-CG2 4.37Å; I561-V589 HydrophobicContact CD1-CG2 3.87Å; F584-V589 HydrophobicContact CB-CB 4.28Å; F584-V589 WeakPolarHBondContact O-CB 3.5Å; F584-V589 PolarHBondContact O-N 2.97Å; A587-V589 HydrophobicContact CB-CG2 4.26Å; V589-L591 PolarHBondContact O-N 3.35Å; V589-I595 HydrophobicContact CG1-CD1 3.76Å; V589-I595 HydrophobicContact CG1-CG1 4.39Å
590	N	92	Very high	92.7	Very high	88 Å²	88	46.7 Å²	46.7	47%	0.471	27%	0.268	S	S	.	.			trans	-79.3	102.5	170.3	-179.1	2.6	0	0	0	110.5	Q534 N592 G593	Q534-N590 PolarHBondContact NE2-O 3.21Å; N590-N592 PolarHBondContact O-N 3.19Å; N590-N592 VanDerWaalsContact O-N 3.15Å; N590-N592 WeakPolarHBondContact OD1-CB 3.36Å; N590-N592 PolarHBondContact OD1-N 3.34Å; N590-G593 PolarHBondContact O-N 3.42Å; N590-G593 VanDerWaalsContact O-N 3.08Å
591	L	90.4	Very high	92.5	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.099	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.6	179.7	-64.2	175.7	0	0	0	114.2	R581 F584 V589 L612 V615 K617	R581-L591 HydrophobicContact CG-CD1 3.88Å; F584-L591 HydrophobicContact CB-CD2 3.98Å; F584-L591 HydrophobicContact CD2-CD2 4.36Å; F584-L591 HydrophobicContact CG-CD2 4.26Å; V589-L591 PolarHBondContact O-N 3.35Å; L591-L612 HydrophobicContact CD2-CD2 3.7Å; L591-V615 HydrophobicContact CD1-CG1 4.2Å; L591-K617 WeakPolarHBondContact O-CD 3.42Å; L591-K617 WeakPolarHBondContact O-CE 3.42Å
592	N	89.6	Confident	92.2	Very high	149 Å²	149	43 Å²	43	80%	0.797	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-20	177.4	-63.9	-28.5	0	0	0	112.7	N590	N590-N592 PolarHBondContact O-N 3.19Å; N590-N592 VanDerWaalsContact O-N 3.15Å; N590-N592 WeakPolarHBondContact OD1-CB 3.36Å; N590-N592 PolarHBondContact OD1-N 3.34Å
593	G	87.5	Confident	92.1	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	24%	0.238	C	C	.	.	S	Bend	trans	-80.9	176.3	179.6	0	0	0	0	0	113.5	N590 K617	N590-G593 PolarHBondContact O-N 3.42Å; N590-G593 VanDerWaalsContact O-N 3.08Å; G593-K617 VanDerWaalsContact O-CE 3.24Å; G593-K617 WeakPolarHBondContact O-CE 3.36Å; G593-K617 PolarHBondContact O-NZ 3.29Å
594	D	92.6	Very high	92	Very high	104 Å²	104	38.7 Å²	38.7	56%	0.556	24%	0.237	S	C	*	.			trans	-76.2	135.2	170.9	-70.5	-21.7	0	0	0	110.1	F533 Q534	F533-D594 HydrophobicContact CB-CB 3.8Å; Q534-D594 PolarHBondContact N-O 2.81Å
595	I	94.3	Very high	92	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.8	-174.1	-59.1	174.4	0	0	0	108.7	Q534 L536 V589 L612 C620 S621	Q534-I595 WeakPolarHBondContact O-CA 3.37Å; L536-I595 HydrophobicContact CD1-CG2 3.42Å; L536-I595 VanDerWaalsContact CD1-CG2 3.42Å; L536-I595 HydrophobicContact CG-CG2 3.77Å; V589-I595 HydrophobicContact CG1-CD1 3.76Å; V589-I595 HydrophobicContact CG1-CG1 4.39Å; I595-L612 HydrophobicContact CD1-CD1 4.3Å; I595-L612 HydrophobicContact CD1-CD2 4.24Å; I595-L612 HydrophobicContact CG2-CD1 3.84Å; I595-C620 WeakPolarHBondContact O-CA 3.49Å; I595-S621 PolarHBondContact O-N 2.69Å
596	V	95.1	Very high	92	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	173.9	-178.7	0	0	0	0	108.3	K519 F533 Q534 L535 L536 S621	K519-V596 HydrophobicContact CB-CG1 4.25Å; K519-V596 HydrophobicContact CG-CG1 3.97Å; K519-V596 HydrophobicContact CG-CG2 3.88Å; F533-V596 HydrophobicContact CB-CG2 4.18Å; F533-V596 HydrophobicContact CD1-CG2 4.13Å; F533-V596 HydrophobicContact CD2-CB 3.66Å; F533-V596 HydrophobicContact CD2-CG2 3.25Å; F533-V596 HydrophobicContact CE1-CG2 4.3Å; F533-V596 HydrophobicContact CE2-CB 3.7Å; F533-V596 HydrophobicContact CE2-CG1 4.21Å; F533-V596 HydrophobicContact CE2-CG2 3.47Å; F533-V596 VanDerWaalsContact CE2-CG2 3.47Å; F533-V596 HydrophobicContact CG-CB 4.48Å; F533-V596 HydrophobicContact CG-CG2 3.6Å; F533-V596 HydrophobicContact CZ-CG2 3.98Å; Q534-V596 PolarHBondContact O-N 2.81Å; L535-V596 CarbonylContact C-O 3.53Å; L535-V596 WeakPolarHBondContact CA-O 3.33Å; L535-V596 HydrophobicContact CD1-CB 4.09Å; L535-V596 HydrophobicContact CD1-CG1 3.93Å; L536-V596 PolarHBondContact N-O 2.99Å; V596-S621 CarbonylContact C-O 3.56Å; V596-S621 VanDerWaalsContact CA-O 3.29Å; V596-S621 WeakPolarHBondContact CA-O 3.49Å
597	C	95.8	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.4	178.3	-58.5	0	0	0	0	110.7	L536 A605 I609 S621 Y623	L536-C597 CarbonylContact O-C 3.49Å; L536-C597 WeakPolarHBondContact O-CA 3.29Å; C597-A605 HydrophobicContact CB-CB 4.04Å; C597-I609 HydrophobicContact CB-CD1 4.12Å; C597-I609 HydrophobicContact CB-CG1 3.8Å; C597-S621 PolarHBondContact N-O 3.34Å; C597-Y623 PolarHBondContact O-N 3.48Å
598	S	94.7	Very high	92.2	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	163.9	178.3	-177.1	0	0	0	0	109.7	L536 D537 A538	L536-S598 PolarHBondContact O-N 3.46Å; D537-S598 WeakPolarHBondContact CA-O 3.46Å; A538-S598 PolarHBondContact N-O 2.89Å
599	C	92.1	Very high	92.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	14%	0.139	C	C	.	.			trans	-152.9	-135	167.8	65.3	0	0	0	0	110.5	A538 R539 G602 T604 A605 S626 F627	A538-C599 HydrophobicContact CB-CB 3.95Å; R539-C599 HydrophobicContact CG-CB 4.22Å; C599-G602 PolarHBondContact SG-N 3.14Å; C599-T604 WeakPolarHBondContact CB-OG1 3.5Å; C599-T604 PolarHBondContact SG-OG1 3.39Å; C599-A605 HydrophobicContact CB-CB 4.14Å; C599-A605 PolarHBondContact SG-N 2.96Å; C599-S626 PolarHBondContact N-OG 3.04Å; C599-S626 VanDerWaalsContact N-OG 3.09Å; C599-S626 WeakPolarHBondContact O-CB 3.34Å; C599-F627 WeakPolarHBondContact O-CB 3.26Å; C599-F627 PolarHBondContact O-N 2.84Å
600	G	89.1	Confident	92.4	Very high	21 Å²	21	23.5 Å²	23.5	22%	0.216	14%	0.139	C	C	.	.	S	Bend	trans	-79.9	-50	170.1	0	0	0	0	0	113.1	S626 F627 S628	G600-S626 VanDerWaalsContact C-CB 3.47Å; G600-S626 WeakPolarHBondContact O-CB 3.4Å; G600-F627 PolarHBondContact O-N 3.18Å; G600-S628 WeakPolarHBondContact O-CB 3.37Å; G600-S628 PolarHBondContact O-N 3.38Å; G600-S628 PolarHBondContact O-OG 3.13Å
601	T	88.9	Confident	92.5	Very high	45 Å²	45	19.4 Å²	19.4	28%	0.276	12%	0.117	S	C	.	.	S	Bend	trans	-138.7	23.2	-167.5	60.8	0	0	0	0	113.4	P423 N424 V603	P423-T601 HydrophobicContact CB-CG2 4.24Å; P423-T601 HydrophobicContact CG-CG2 3.51Å; N424-T601 PolarHBondContact ND2-OG1 3.26Å; T601-V603 VanDerWaalsContact C-N 3.26Å; T601-V603 PolarHBondContact O-N 2.88Å
602	G	88.3	Confident	92.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	76.3	-2.7	178	0	0	0	0	0	116.3	R465 C599 C606 D624 S626	R465-G602 PolarHBondContact NH1-O 3.45Å; C599-G602 PolarHBondContact SG-N 3.14Å; G602-C606 PolarHBondContact O-SG 3.39Å; G602-C606 VanDerWaalsContact O-SG 3.36Å; G602-D624 WeakPolarHBondContact CA-O 3.35Å; G602-D624 PolarHBondContact N-O 3.45Å; G602-S626 VanDerWaalsContact CA-OG 3.32Å; G602-S626 WeakPolarHBondContact CA-OG 3.42Å; G602-S626 VanDerWaalsContact N-CB 3.33Å; G602-S626 PolarHBondContact N-OG 3.01Å
603	V	90.9	Very high	92.8	Very high	10 Å²	10	12.3 Å²	12.3	6%	0.061	8%	0.079	C	C	.	.	S	Bend	trans	-83	-60.2	-177	179.5	0	0	0	0	111.8	L412 N424 E461 R465 T601 A605 C606	L412-V603 HydrophobicContact CD2-CG2 4.28Å; N424-V603 HydrophobicContact CB-CG2 3.98Å; N424-V603 WeakPolarHBondContact ND2-CG2 3.32Å; E461-V603 HydrophobicContact CB-CG1 4.23Å; E461-V603 WeakPolarHBondContact O-CG1 3.39Å; R465-V603 HydrophobicContact CB-CG1 3.99Å; R465-V603 HydrophobicContact CG-CG1 4.47Å; R465-V603 HydrophobicContact CG-CG2 4.46Å; T601-V603 VanDerWaalsContact C-N 3.26Å; T601-V603 PolarHBondContact O-N 2.88Å; V603-A605 VanDerWaalsContact C-N 3.25Å; V603-A605 PolarHBondContact O-N 2.75Å; V603-C606 WeakPolarHBondContact O-CB 3.24Å; V603-C606 PolarHBondContact O-N 3.35Å
604	T	92.2	Very high	93.1	Very high	28 Å²	28	12.8 Å²	12.8	17%	0.172	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.7	-175	62.2	0	0	0	0	113.4	E461 L563 C599 C606 A607	E461-T604 HydrophobicContact CB-CG2 4.43Å; E461-T604 HydrophobicContact CG-CG2 3.9Å; L563-T604 HydrophobicContact CD2-CG2 4.49Å; C599-T604 WeakPolarHBondContact CB-OG1 3.5Å; C599-T604 PolarHBondContact SG-OG1 3.39Å; T604-C606 PolarHBondContact O-N 2.84Å; T604-A607 VanDerWaalsContact O-CB 3.3Å; T604-A607 WeakPolarHBondContact O-CB 3.22Å; T604-A607 PolarHBondContact O-N 2.96Å; T604-A607 VanDerWaalsContact O-N 3.12Å
605	A	94.2	Very high	93	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.1	-34.8	173.8	0	0	0	0	0	112.4	C597 C599 V603 A607 I608 I609 L622	C597-A605 HydrophobicContact CB-CB 4.04Å; C599-A605 HydrophobicContact CB-CB 4.14Å; C599-A605 PolarHBondContact SG-N 2.96Å; V603-A605 VanDerWaalsContact C-N 3.25Å; V603-A605 PolarHBondContact O-N 2.75Å; A605-A607 PolarHBondContact O-N 3.26Å; A605-I608 PolarHBondContact O-N 3.3Å; A605-I608 VanDerWaalsContact O-N 3.11Å; A605-I609 PolarHBondContact O-N 2.8Å; A605-L622 HydrophobicContact CB-CD1 3.44Å; A605-L622 VanDerWaalsContact CB-CD1 3.44Å
606	C	94.5	Very high	92.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.1	-24.8	177.7	-61.8	0	0	0	0	112.9	A464 R465 F468 G602 V603 T604 I609 L610	A464-C606 HydrophobicContact CB-CB 4.08Å; A464-C606 WeakPolarHBondContact O-CB 3.15Å; R465-C606 HydrophobicContact CB-CB 4.48Å; F468-C606 HydrophobicContact CB-CB 3.99Å; G602-C606 PolarHBondContact O-SG 3.39Å; G602-C606 VanDerWaalsContact O-SG 3.36Å; V603-C606 WeakPolarHBondContact O-CB 3.24Å; V603-C606 PolarHBondContact O-N 3.35Å; T604-C606 PolarHBondContact O-N 2.84Å; C606-I609 PolarHBondContact O-N 2.82Å; C606-L610 WeakPolarHBondContact O-CB 3.38Å; C606-L610 PolarHBondContact O-N 2.91Å
607	A	94.2	Very high	92.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71	-36.5	176	0	0	0	0	0	112.5	L460 A464 L563 L566 T604 A605 L610 A611	L460-A607 HydrophobicContact CB-CB 4.48Å; L460-A607 HydrophobicContact CD2-CB 4.09Å; L460-A607 HydrophobicContact CG-CB 4.14Å; L460-A607 WeakPolarHBondContact O-CB 3.34Å; A464-A607 HydrophobicContact CB-CB 4.09Å; L563-A607 HydrophobicContact CD1-CB 3.07Å; L566-A607 HydrophobicContact CD1-CB 4.38Å; T604-A607 VanDerWaalsContact O-CB 3.3Å; T604-A607 WeakPolarHBondContact O-CB 3.22Å; T604-A607 PolarHBondContact O-N 2.96Å; T604-A607 VanDerWaalsContact O-N 3.12Å; A605-A607 PolarHBondContact O-N 3.26Å; A607-L610 PolarHBondContact O-N 2.92Å; A607-A611 WeakPolarHBondContact O-CB 3.28Å; A607-A611 PolarHBondContact O-N 3.08Å
608	I	94.9	Very high	91.9	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-45.1	171.1	-61.2	178.8	0	0	0	109.4	L536 A538 I561 L566 F584 A605 L610 A611 L612	L536-I608 HydrophobicContact CB-CD1 4.36Å; L536-I608 HydrophobicContact CD1-CG2 3.92Å; A538-I608 HydrophobicContact CB-CD1 3.49Å; A538-I608 VanDerWaalsContact CB-CD1 3.49Å; A538-I608 HydrophobicContact CB-CG1 3.98Å; I561-I608 HydrophobicContact CB-CD1 4.07Å; I561-I608 HydrophobicContact CG2-CD1 4.41Å; I561-I608 WeakPolarHBondContact O-CD1 3.1Å; L566-I608 HydrophobicContact CD1-CG1 4.14Å; F584-I608 HydrophobicContact CE1-CG2 3.96Å; F584-I608 HydrophobicContact CZ-CG2 4.23Å; A605-I608 PolarHBondContact O-N 3.3Å; A605-I608 VanDerWaalsContact O-N 3.11Å; I608-L610 VanDerWaalsContact C-N 3.28Å; I608-L610 PolarHBondContact O-N 3.45Å; I608-A611 PolarHBondContact O-N 3.14Å; I608-A611 VanDerWaalsContact O-N 3.13Å; I608-L612 HydrophobicContact CG2-CD1 3.86Å; I608-L612 HydrophobicContact CG2-CG 4.27Å; I608-L612 WeakPolarHBondContact O-CG 3.36Å; I608-L612 PolarHBondContact O-N 2.87Å
609	I	94.8	Very high	91.4	Very high	4 Å²	4	25 Å²	25	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-42.9	177	-62.3	175.2	0	0	0	110.7	W467 F468 C597 A605 C606 L612 N613 C620 L622	W467-I609 HydrophobicContact CH2-CG2 4.19Å; W467-I609 HydrophobicContact CZ3-CB 4.47Å; W467-I609 HydrophobicContact CZ3-CG2 3.93Å; F468-I609 HydrophobicContact CD2-CD1 3.92Å; F468-I609 HydrophobicContact CD2-CG2 4.04Å; F468-I609 HydrophobicContact CE2-CD1 3.71Å; F468-I609 HydrophobicContact CE2-CG2 4.28Å; F468-I609 HydrophobicContact CZ-CD1 4.47Å; C597-I609 HydrophobicContact CB-CD1 4.12Å; C597-I609 HydrophobicContact CB-CG1 3.8Å; A605-I609 PolarHBondContact O-N 2.8Å; C606-I609 PolarHBondContact O-N 2.82Å; I609-L612 PolarHBondContact O-N 3.24Å; I609-N613 WeakPolarHBondContact O-CB 3.3Å; I609-N613 PolarHBondContact O-N 3.26Å; I609-C620 HydrophobicContact CG1-CB 4.29Å; I609-C620 HydrophobicContact CG2-CB 4.07Å; I609-L622 HydrophobicContact CD1-CB 3.8Å; I609-L622 HydrophobicContact CD1-CD1 4.16Å
610	L	94.3	Very high	91.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-45.4	175.4	-179	66.9	0	0	0	111.7	P370 L371 L460 A464 W467 V480 I574 C606 A607 I608 N613 V614	P370-L610 HydrophobicContact CB-CD1 3.78Å; L371-L610 HydrophobicContact CD2-CD1 4.43Å; L371-L610 HydrophobicContact CD2-CD2 4.07Å; L371-L610 HydrophobicContact CD2-CG 4.4Å; L460-L610 HydrophobicContact CD1-CD2 3.79Å; L460-L610 HydrophobicContact CD2-CD2 4.16Å; L460-L610 HydrophobicContact CG-CD2 4.17Å; A464-L610 HydrophobicContact CB-CB 4.49Å; A464-L610 HydrophobicContact CB-CD2 4.12Å; W467-L610 HydrophobicContact CD2-CD1 3.7Å; W467-L610 HydrophobicContact CE3-CB 4.1Å; W467-L610 HydrophobicContact CE3-CD1 3.9Å; W467-L610 HydrophobicContact CG-CD1 4.3Å; W467-L610 HydrophobicContact CH2-CB 4.17Å; W467-L610 HydrophobicContact CH2-CD1 3.82Å; W467-L610 HydrophobicContact CZ2-CD1 3.62Å; W467-L610 HydrophobicContact CZ3-CB 3.79Å; W467-L610 HydrophobicContact CZ3-CD1 3.97Å; V480-L610 HydrophobicContact CB-CD2 4.05Å; V480-L610 HydrophobicContact CG1-CD2 4.28Å; V480-L610 HydrophobicContact CG2-CD1 4.31Å; V480-L610 HydrophobicContact CG2-CD2 3.86Å; I574-L610 HydrophobicContact CD1-CD2 4.48Å; C606-L610 WeakPolarHBondContact O-CB 3.38Å; C606-L610 PolarHBondContact O-N 2.91Å; A607-L610 PolarHBondContact O-N 2.92Å; I608-L610 VanDerWaalsContact C-N 3.28Å; I608-L610 PolarHBondContact O-N 3.45Å; L610-N613 WeakPolarHBondContact O-CB 3.22Å; L610-N613 PolarHBondContact O-N 2.89Å; L610-V614 VanDerWaalsContact O-CG2 3.32Å; L610-V614 WeakPolarHBondContact O-CG2 3.46Å; L610-V614 PolarHBondContact O-N 2.85Å
611	A	94.3	Very high	91.6	Very high	1 Å²	1	25 Å²	25	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-41.4	177.3	0	0	0	0	0	112.5	L566 L580 F584 A607 I608 N613 V614 V615	L566-A611 HydrophobicContact CD1-CB 4.05Å; L566-A611 HydrophobicContact CD2-CB 4.03Å; L580-A611 HydrophobicContact CD1-CB 4.1Å; L580-A611 HydrophobicContact CD2-CB 4.04Å; F584-A611 HydrophobicContact CE2-CB 4.33Å; F584-A611 HydrophobicContact CZ-CB 4.07Å; A607-A611 WeakPolarHBondContact O-CB 3.28Å; A607-A611 PolarHBondContact O-N 3.08Å; I608-A611 PolarHBondContact O-N 3.14Å; I608-A611 VanDerWaalsContact O-N 3.13Å; A611-N613 VanDerWaalsContact C-N 3.3Å; A611-N613 PolarHBondContact O-N 2.92Å; A611-V614 WeakPolarHBondContact O-CB 3.45Å; A611-V614 PolarHBondContact O-N 3.23Å; A611-V615 WeakPolarHBondContact O-CG2 3.24Å; A611-V615 PolarHBondContact O-N 3.05Å
612	L	93.8	Very high	91.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-39.3	173.5	-73.6	168.9	0	0	0	111.5	L536 F584 L591 I595 I608 I609 V614 V615 G616 K617 C620	L536-L612 HydrophobicContact CD1-CD1 4.13Å; F584-L612 HydrophobicContact CD1-CD2 4.03Å; F584-L612 HydrophobicContact CD2-CD2 3.8Å; F584-L612 HydrophobicContact CE1-CD2 3.85Å; F584-L612 HydrophobicContact CE1-CG 4.08Å; F584-L612 HydrophobicContact CE2-CD2 3.61Å; F584-L612 HydrophobicContact CE2-CG 4.02Å; F584-L612 HydrophobicContact CG-CD2 4.03Å; F584-L612 HydrophobicContact CZ-CD2 3.65Å; F584-L612 HydrophobicContact CZ-CG 3.69Å; L591-L612 HydrophobicContact CD2-CD2 3.7Å; I595-L612 HydrophobicContact CD1-CD1 4.3Å; I595-L612 HydrophobicContact CD1-CD2 4.24Å; I595-L612 HydrophobicContact CG2-CD1 3.84Å; I608-L612 HydrophobicContact CG2-CD1 3.86Å; I608-L612 HydrophobicContact CG2-CG 4.27Å; I608-L612 WeakPolarHBondContact O-CG 3.36Å; I608-L612 PolarHBondContact O-N 2.87Å; I609-L612 PolarHBondContact O-N 3.24Å; L612-V614 VanDerWaalsContact C-N 3.33Å; L612-V614 PolarHBondContact O-N 3.15Å; L612-V615 PolarHBondContact O-N 3.4Å; L612-G616 PolarHBondContact O-N 3.23Å; L612-K617 CarbonylContact C-O 3.54Å; L612-K617 HydrophobicContact CB-CB 4.33Å; L612-K617 PolarHBondContact O-N 3.21Å; L612-C620 VanDerWaalsContact CD1-SG 3.54Å
613	N	92.7	Very high	92.3	Very high	19 Å²	19	22.9 Å²	22.9	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-37.6	175.5	-164.2	-102.4	0	0	0	112.3	P370 W467 R471 I609 L610 A611 V615 G616 K617	P370-N613 WeakPolarHBondContact CB-OD1 3.32Å; P370-N613 WeakPolarHBondContact CG-OD1 3.35Å; W467-N613 HydrophobicContact CH2-CB 3.91Å; W467-N613 HydrophobicContact CZ2-CB 4.17Å; R471-N613 PolarHBondContact NH1-ND2 2.93Å; I609-N613 WeakPolarHBondContact O-CB 3.3Å; I609-N613 PolarHBondContact O-N 3.26Å; L610-N613 WeakPolarHBondContact O-CB 3.22Å; L610-N613 PolarHBondContact O-N 2.89Å; A611-N613 VanDerWaalsContact C-N 3.3Å; A611-N613 PolarHBondContact O-N 2.92Å; N613-V615 VanDerWaalsContact C-N 3.3Å; N613-V615 PolarHBondContact O-N 3.47Å; N613-G616 PolarHBondContact O-N 2.85Å; N613-K617 WeakPolarHBondContact CA-O 3.37Å; N613-K617 PolarHBondContact N-O 2.92Å
614	V	92.4	Very high	92.3	Very high	31 Å²	31	22.7 Å²	22.7	19%	0.188	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-33.2	174.3	172	0	0	0	0	112.2	P370 L371 P577 L580 L610 A611 L612 G616	P370-V614 HydrophobicContact CB-CG2 4.5Å; P370-V614 HydrophobicContact CG-CG2 3.82Å; L371-V614 HydrophobicContact CD1-CG1 4.35Å; L371-V614 HydrophobicContact CD1-CG2 3.47Å; L371-V614 VanDerWaalsContact CD1-CG2 3.47Å; L371-V614 HydrophobicContact CG-CG2 3.7Å; P577-V614 HydrophobicContact CG-CG1 3.99Å; L580-V614 HydrophobicContact CD1-CB 4.28Å; L580-V614 HydrophobicContact CD1-CG1 4.05Å; L610-V614 VanDerWaalsContact O-CG2 3.32Å; L610-V614 WeakPolarHBondContact O-CG2 3.46Å; L610-V614 PolarHBondContact O-N 2.85Å; A611-V614 WeakPolarHBondContact O-CB 3.45Å; A611-V614 PolarHBondContact O-N 3.23Å; L612-V614 VanDerWaalsContact C-N 3.33Å; L612-V614 PolarHBondContact O-N 3.15Å; V614-G616 PolarHBondContact O-N 3.22Å
615	V	91.7	Very high	92.2	Very high	29 Å²	29	21.4 Å²	21.4	18%	0.176	13%	0.127	C	C	.	.	H	α-helix	trans	-75.6	-13.1	174.4	178.9	0	0	0	0	112.2	L580 R581 F584 L591 A611 L612 N613	L580-V615 HydrophobicContact CB-CG2 3.53Å; L580-V615 HydrophobicContact CD1-CG2 4.27Å; R581-V615 HydrophobicContact CB-CG1 4.06Å; R581-V615 HydrophobicContact CG-CG1 4.25Å; F584-V615 HydrophobicContact CD2-CG2 4.46Å; F584-V615 HydrophobicContact CE2-CG2 4.36Å; L591-V615 HydrophobicContact CD1-CG1 4.2Å; A611-V615 WeakPolarHBondContact O-CG2 3.24Å; A611-V615 PolarHBondContact O-N 3.05Å; L612-V615 PolarHBondContact O-N 3.4Å; N613-V615 VanDerWaalsContact C-N 3.3Å; N613-V615 PolarHBondContact O-N 3.47Å
616	G	88.9	Confident	92.1	Very high	57 Å²	57	21.4 Å²	21.4	59%	0.588	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.2	7.3	179.2	0	0	0	0	0	114.9	L612 N613 V614	L612-G616 PolarHBondContact O-N 3.23Å; N613-G616 PolarHBondContact O-N 2.85Å; V614-G616 PolarHBondContact O-N 3.22Å
617	K	88.4	Confident	91.9	Very high	36 Å²	36	21.5 Å²	21.5	16%	0.157	13%	0.127	C	C	.	.			trans	-91.5	102.3	174.3	-179.1	66.3	167.1	174.9	0	109.5	L591 G593 L612 N613 C620	L591-K617 WeakPolarHBondContact O-CD 3.42Å; L591-K617 WeakPolarHBondContact O-CE 3.42Å; G593-K617 VanDerWaalsContact O-CE 3.24Å; G593-K617 WeakPolarHBondContact O-CE 3.36Å; G593-K617 PolarHBondContact O-NZ 3.29Å; L612-K617 CarbonylContact C-O 3.54Å; L612-K617 HydrophobicContact CB-CB 4.33Å; L612-K617 PolarHBondContact O-N 3.21Å; N613-K617 WeakPolarHBondContact CA-O 3.37Å; N613-K617 PolarHBondContact N-O 2.92Å; K617-C620 VanDerWaalsContact CG-SG 3.56Å
618	E	84.3	Confident	91.8	Very high	116 Å²	116	22 Å²	22	54%	0.542	13%	0.131	S	C	.	.			trans	-88.3	-27.8	-176.3	-57.2	-170.7	167.6	0	0	114.1	C620	E618-C620 PolarHBondContact O-N 2.7Å
619	N	84.9	Confident	91.6	Very high	125 Å²	125	23.1 Å²	23.1	67%	0.668	14%	0.136	S	C	*	.			trans	-90.3	70.4	-176	-62.1	-12	0	0	0	111
620	C	91.3	Very high	91.5	Very high	5 Å²	5	23 Å²	23	3%	0.034	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.3	172.3	-64.7	0	0	0	0	109.5	I595 I609 L612 K617 E618	I595-C620 WeakPolarHBondContact O-CA 3.49Å; I609-C620 HydrophobicContact CG1-CB 4.29Å; I609-C620 HydrophobicContact CG2-CB 4.07Å; L612-C620 VanDerWaalsContact CD1-SG 3.54Å; K617-C620 VanDerWaalsContact CG-SG 3.56Å; E618-C620 PolarHBondContact O-N 2.7Å
621	S	94.1	Very high	91.2	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156.5	178.9	-51	0	0	0	0	111.6	S516 T517 I595 V596 C597	S516-S621 PolarHBondContact O-OG 2.97Å; T517-S621 CarbonylContact O-C 3.52Å; T517-S621 WeakPolarHBondContact O-CA 3.12Å; T517-S621 WeakPolarHBondContact O-CB 3.13Å; I595-S621 PolarHBondContact O-N 2.69Å; V596-S621 CarbonylContact C-O 3.56Å; V596-S621 VanDerWaalsContact CA-O 3.29Å; V596-S621 WeakPolarHBondContact CA-O 3.49Å; C597-S621 PolarHBondContact N-O 3.34Å
622	L	95.6	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	177.8	176.9	67.4	0	0	0	110	F468 T517 V518 K519 A605 I609 D624	F468-L622 HydrophobicContact CD1-CD2 3.8Å; F468-L622 HydrophobicContact CE1-CB 3.84Å; F468-L622 HydrophobicContact CE1-CD2 3.48Å; F468-L622 VanDerWaalsContact CE1-CD2 3.48Å; F468-L622 HydrophobicContact CE1-CG 4.31Å; F468-L622 HydrophobicContact CE2-CB 4.09Å; F468-L622 HydrophobicContact CZ-CB 3.5Å; F468-L622 VanDerWaalsContact CZ-CB 3.5Å; F468-L622 HydrophobicContact CZ-CD2 4.06Å; F468-L622 HydrophobicContact CZ-CG 4.43Å; T517-L622 PolarHBondContact O-N 3.28Å; V518-L622 CarbonylContact C-O 3.57Å; V518-L622 VanDerWaalsContact CA-O 3.31Å; V518-L622 WeakPolarHBondContact CA-O 3.43Å; K519-L622 PolarHBondContact N-O 3.34Å; A605-L622 HydrophobicContact CB-CD1 3.44Å; A605-L622 VanDerWaalsContact CB-CD1 3.44Å; I609-L622 HydrophobicContact CD1-CB 3.8Å; I609-L622 HydrophobicContact CD1-CD1 4.16Å; L622-D624 HydrophobicContact CD2-CB 4.39Å; L622-D624 PolarHBondContact O-N 3.23Å
623	Y	95.1	Very high	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	97.3	161.2	175.5	-140.4	0	0	0	109.2	F521 V524 I555 C597 S626 Q629 W630	F521-Y623 HydrophobicContact CB-CE2 4.45Å; V524-Y623 HydrophobicContact CG1-CD1 4.49Å; V524-Y623 HydrophobicContact CG2-CD1 4.17Å; V524-Y623 HydrophobicContact CG2-CD2 3.83Å; V524-Y623 HydrophobicContact CG2-CE2 4.32Å; V524-Y623 HydrophobicContact CG2-CG 3.77Å; I555-Y623 HydrophobicContact CD1-CD1 4.15Å; I555-Y623 HydrophobicContact CD1-CE1 3.92Å; C597-Y623 PolarHBondContact O-N 3.48Å; Y623-S626 VanDerWaalsContact CD1-CA 3.48Å; Y623-S626 VanDerWaalsContact CE1-C 3.43Å; Y623-S626 VanDerWaalsContact CE1-CA 3.45Å; Y623-S626 WeakPolarHBondContact CE1-O 3.19Å; Y623-S626 WeakPolarHBondContact O-CA 3.33Å; Y623-S626 PolarHBondContact O-N 3.12Å; Y623-S626 PolarHBondContact O-OG 3.41Å; Y623-S626 PolarHBondContact OH-O 2.88Å; Y623-Q629 VanDerWaalsContact CE2-OE1 3.27Å; Y623-Q629 PolarHBondContact OH-OE1 2.95Å; Y623-W630 HydrophobicContact CE1-CB 4.43Å; Y623-W630 HydrophobicContact CE1-CE3 4.46Å; Y623-W630 PolarHBondContact OH-N 2.96Å
624	D	91.8	Very high	90.5	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.027	20%	0.201	C	C	.	.	S	Bend	trans	-67.3	-46.6	-165.5	-166.7	30.8	0	0	0	113	M425 L426 R465 V518 G602 L622 S626	M425-D624 WeakPolarHBondContact CA-OD2 3.45Å; M425-D624 HydrophobicContact CE-CB 4.12Å; M425-D624 HydrophobicContact SD-CB 4.21Å; L426-D624 WeakPolarHBondContact CG-OD2 3.38Å; L426-D624 PolarHBondContact N-OD2 3.47Å; R465-D624 IonicContact CZ-OD1 2.85Å; R465-D624 IonicContact NH1-OD1 3.32Å; R465-D624 PolarHBondContact NH1-OD1 3.15Å; R465-D624 IonicContact NH2-OD1 2.72Å; R465-D624 PolarHBondContact NH2-OD1 2.87Å; R465-D624 IonicContact NH2-OD2 2.88Å; V518-D624 HydrophobicContact CG1-CB 4.07Å; G602-D624 WeakPolarHBondContact CA-O 3.35Å; G602-D624 PolarHBondContact N-O 3.45Å; L622-D624 HydrophobicContact CD2-CB 4.39Å; L622-D624 PolarHBondContact O-N 3.23Å; D624-S626 PolarHBondContact O-N 3.2Å
625	G	89.5	Confident	90.2	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	-65.7	-22.8	175.8	0	0	0	0	0	113.4	M425 S628 Q629	M425-G625 VanDerWaalsContact SD-CA 3.52Å; G625-S628 PolarHBondContact O-OG 2.83Å; G625-Q629 WeakPolarHBondContact O-CB 3.28Å; G625-Q629 PolarHBondContact O-N 2.84Å
626	S	91.8	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	53.5	-158.9	171.2	-86	0	0	0	0	112.2	C599 G600 G602 Y623 D624 S628 Q629 W630	C599-S626 PolarHBondContact N-OG 3.04Å; C599-S626 VanDerWaalsContact N-OG 3.09Å; C599-S626 WeakPolarHBondContact O-CB 3.34Å; G600-S626 VanDerWaalsContact C-CB 3.47Å; G600-S626 WeakPolarHBondContact O-CB 3.4Å; G602-S626 VanDerWaalsContact CA-OG 3.32Å; G602-S626 WeakPolarHBondContact CA-OG 3.42Å; G602-S626 VanDerWaalsContact N-CB 3.33Å; G602-S626 PolarHBondContact N-OG 3.01Å; Y623-S626 VanDerWaalsContact CD1-CA 3.48Å; Y623-S626 VanDerWaalsContact CE1-C 3.43Å; Y623-S626 VanDerWaalsContact CE1-CA 3.45Å; Y623-S626 WeakPolarHBondContact CE1-O 3.19Å; Y623-S626 WeakPolarHBondContact O-CA 3.33Å; Y623-S626 PolarHBondContact O-N 3.12Å; Y623-S626 PolarHBondContact O-OG 3.41Å; Y623-S626 PolarHBondContact OH-O 2.88Å; D624-S626 PolarHBondContact O-N 3.2Å; S626-S628 PolarHBondContact O-N 3.2Å; S626-Q629 PolarHBondContact O-N 2.98Å; S626-W630 PolarHBondContact O-N 2.64Å
627	F	91.4	Very high	89.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-28.1	-178	-163.2	-111.8	0	0	0	113.3	L551 G553 I555 C599 G600 Q629 W630 V631 V639	L551-F627 HydrophobicContact CB-CD1 4.4Å; L551-F627 WeakPolarHBondContact O-CE1 3.36Å; G553-F627 VanDerWaalsContact C-CZ 3.49Å; G553-F627 WeakPolarHBondContact O-CE2 3.36Å; G553-F627 WeakPolarHBondContact O-CZ 3.4Å; I555-F627 HydrophobicContact CG1-CD2 4.25Å; C599-F627 WeakPolarHBondContact O-CB 3.26Å; C599-F627 PolarHBondContact O-N 2.84Å; G600-F627 PolarHBondContact O-N 3.18Å; F627-Q629 PolarHBondContact O-N 3.29Å; F627-W630 HydrophobicContact CD2-CB 4.36Å; F627-W630 WeakPolarHBondContact O-CB 3.45Å; F627-W630 PolarHBondContact O-N 3.34Å; F627-V631 HydrophobicContact CD1-CG2 3.59Å; F627-V631 HydrophobicContact CD2-CG2 4.23Å; F627-V631 HydrophobicContact CE1-CG2 3.25Å; F627-V631 HydrophobicContact CE2-CG2 3.93Å; F627-V631 HydrophobicContact CG-CG2 4.08Å; F627-V631 HydrophobicContact CZ-CG2 3.44Å; F627-V631 VanDerWaalsContact CZ-CG2 3.44Å; F627-V631 WeakPolarHBondContact O-CG2 3.05Å; F627-V631 PolarHBondContact O-N 3.36Å; F627-V639 HydrophobicContact CE2-CG1 4.34Å; F627-V639 HydrophobicContact CZ-CG1 3.86Å
628	S	91	Very high	89.4	Confident	11 Å²	11	53.5 Å²	53.5	8%	0.077	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-36.2	177.4	73.7	0	0	0	0	113.8	G600 G625 S626 K632	G600-S628 WeakPolarHBondContact O-CB 3.37Å; G600-S628 PolarHBondContact O-N 3.38Å; G600-S628 PolarHBondContact O-OG 3.13Å; G625-S628 PolarHBondContact O-OG 2.83Å; S626-S628 PolarHBondContact O-N 3.2Å; S628-K632 WeakPolarHBondContact O-CG 3.25Å
629	Q	92.2	Very high	89.6	Confident	24 Å²	24	49.7 Å²	49.7	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-75.6	-39.7	171	177.8	175.5	44	0	0	110.6	Y422 F521 Y623 G625 S626 F627 K632 L633	Y422-Q629 HydrophobicContact CD1-CB 3.77Å; Y422-Q629 HydrophobicContact CD1-CG 4.06Å; Y422-Q629 HydrophobicContact CD2-CB 4.49Å; Y422-Q629 HydrophobicContact CD2-CG 4.25Å; Y422-Q629 HydrophobicContact CE1-CB 3.96Å; Y422-Q629 HydrophobicContact CE1-CG 3.81Å; Y422-Q629 HydrophobicContact CE2-CG 4.01Å; Y422-Q629 HydrophobicContact CG-CB 4.06Å; Y422-Q629 HydrophobicContact CG-CG 4.28Å; F521-Q629 HydrophobicContact CD2-CG 4.48Å; Y623-Q629 VanDerWaalsContact CE2-OE1 3.27Å; Y623-Q629 PolarHBondContact OH-OE1 2.95Å; G625-Q629 WeakPolarHBondContact O-CB 3.28Å; G625-Q629 PolarHBondContact O-N 2.84Å; S626-Q629 PolarHBondContact O-N 2.98Å; F627-Q629 PolarHBondContact O-N 3.29Å; Q629-K632 PolarHBondContact O-N 2.82Å; Q629-L633 HydrophobicContact CG-CD1 3.73Å; Q629-L633 HydrophobicContact CG-CG 4.39Å; Q629-L633 PolarHBondContact O-N 3.15Å; Q629-L633 VanDerWaalsContact O-N 3.15Å
630	W	91.6	Very high	89.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-54	-179.5	-171.3	-97.1	0	0	0	112.4	F521 V524 L525 V528 I555 Y623 S626 F627 K632 L633 A634 L638	F521-W630 AromaticContact CD2-CE3 3.9Å; F521-W630 HydrophobicContact CD2-CE3 3.9Å; F521-W630 HydrophobicContact CD2-CZ3 4.25Å; F521-W630 HydrophobicContact CE2-CD2 4.32Å; F521-W630 AromaticContact CE2-CE3 3.63Å; F521-W630 HydrophobicContact CE2-CE3 3.63Å; F521-W630 AromaticContact CE2-CZ3 3.92Å; F521-W630 HydrophobicContact CE2-CZ3 3.92Å; V524-W630 HydrophobicContact CB-CZ3 4.17Å; V524-W630 HydrophobicContact CG1-CE3 4.15Å; V524-W630 HydrophobicContact CG1-CH2 4.35Å; V524-W630 HydrophobicContact CG1-CZ3 3.67Å; L525-W630 HydrophobicContact CB-CH2 4.39Å; L525-W630 HydrophobicContact CB-CZ3 4.3Å; L525-W630 HydrophobicContact CD1-CH2 3.97Å; V528-W630 HydrophobicContact CG2-CH2 3.79Å; V528-W630 HydrophobicContact CG2-CZ2 4.17Å; I555-W630 HydrophobicContact CD1-CB 4.27Å; I555-W630 HydrophobicContact CD1-CD2 3.81Å; I555-W630 HydrophobicContact CD1-CE3 3.97Å; I555-W630 HydrophobicContact CD1-CG 3.96Å; I555-W630 HydrophobicContact CG1-CB 4.46Å; I555-W630 HydrophobicContact CG1-CD2 3.73Å; I555-W630 HydrophobicContact CG1-CE3 4.33Å; I555-W630 HydrophobicContact CG1-CG 3.77Å; I555-W630 HydrophobicContact CG1-CZ2 4.43Å; I555-W630 HydrophobicContact CG2-CD2 4.43Å; I555-W630 HydrophobicContact CG2-CH2 3.96Å; I555-W630 HydrophobicContact CG2-CZ2 3.73Å; I555-W630 HydrophobicContact CG2-CZ3 4.4Å; Y623-W630 HydrophobicContact CE1-CB 4.43Å; Y623-W630 HydrophobicContact CE1-CE3 4.46Å; Y623-W630 PolarHBondContact OH-N 2.96Å; S626-W630 PolarHBondContact O-N 2.64Å; F627-W630 HydrophobicContact CD2-CB 4.36Å; F627-W630 WeakPolarHBondContact O-CB 3.45Å; F627-W630 PolarHBondContact O-N 3.34Å; W630-K632 PolarHBondContact O-N 3.26Å; W630-K632 VanDerWaalsContact O-N 3.13Å; W630-L633 PolarHBondContact O-N 3.44Å; W630-L633 VanDerWaalsContact O-N 3.15Å; W630-A634 HydrophobicContact CD2-CB 3.89Å; W630-A634 HydrophobicContact CE3-CB 4.45Å; W630-A634 HydrophobicContact CG-CB 4.18Å; W630-A634 HydrophobicContact CZ2-CB 4.05Å; W630-A634 VanDerWaalsContact O-CB 3.25Å; W630-A634 WeakPolarHBondContact O-CB 3.1Å; W630-A634 PolarHBondContact O-N 3.42Å; W630-L638 HydrophobicContact CZ2-CB 3.97Å; W630-L638 HydrophobicContact CZ2-CD1 4.44Å; W630-L638 PolarHBondContact NE1-O 3.45Å
631	V	89.6	Confident	89.3	Confident	62 Å²	62	52.2 Å²	52.2	38%	0.376	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-24.5	-178.3	174.7	0	0	0	0	112.6	L551 F627	L551-V631 HydrophobicContact CD2-CB 4.45Å; L551-V631 HydrophobicContact CD2-CG1 4.47Å; L551-V631 HydrophobicContact CD2-CG2 4.42Å; F627-V631 HydrophobicContact CD1-CG2 3.59Å; F627-V631 HydrophobicContact CD2-CG2 4.23Å; F627-V631 HydrophobicContact CE1-CG2 3.25Å; F627-V631 HydrophobicContact CE2-CG2 3.93Å; F627-V631 HydrophobicContact CG-CG2 4.08Å; F627-V631 HydrophobicContact CZ-CG2 3.44Å; F627-V631 VanDerWaalsContact CZ-CG2 3.44Å; F627-V631 WeakPolarHBondContact O-CG2 3.05Å; F627-V631 PolarHBondContact O-N 3.36Å
632	K	89	Confident	88.5	Confident	133 Å²	133	60.1 Å²	60.1	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-84.7	-27	179.1	-73.9	-179	176.9	-174	0	113.7	P421 Y422 S628 Q629 W630	P421-K632 PolarHBondContact O-NZ 3.16Å; Y422-K632 HydrophobicContact CD1-CD 4.08Å; Y422-K632 HydrophobicContact CE1-CB 4.28Å; Y422-K632 HydrophobicContact CE1-CD 3.8Å; S628-K632 WeakPolarHBondContact O-CG 3.25Å; Q629-K632 PolarHBondContact O-N 2.82Å; W630-K632 PolarHBondContact O-N 3.26Å; W630-K632 VanDerWaalsContact O-N 3.13Å
633	L	89.9	Confident	88.2	Confident	81 Å²	81	63.2 Å²	63.2	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-114	-30.6	-171.2	-69.5	-176.8	0	0	0	113.9	Y422 F521 Q629 W630	Y422-L633 WeakPolarHBondContact OH-CD1 3.49Å; Y422-L633 WeakPolarHBondContact OH-CD2 3.45Å; Y422-L633 WeakPolarHBondContact OH-CG 3.43Å; F521-L633 HydrophobicContact CB-CD1 4.31Å; F521-L633 HydrophobicContact CD1-CB 4.4Å; F521-L633 HydrophobicContact CD1-CD1 3.99Å; F521-L633 HydrophobicContact CD2-CB 4.07Å; F521-L633 HydrophobicContact CD2-CD1 4.06Å; F521-L633 HydrophobicContact CE1-CB 3.94Å; F521-L633 HydrophobicContact CE1-CD1 4.33Å; F521-L633 HydrophobicContact CE2-CB 3.58Å; F521-L633 HydrophobicContact CE2-CD1 4.4Å; F521-L633 HydrophobicContact CG-CB 4.45Å; F521-L633 HydrophobicContact CG-CD1 3.84Å; F521-L633 HydrophobicContact CZ-CB 3.5Å; F521-L633 VanDerWaalsContact CZ-CB 3.5Å; Q629-L633 HydrophobicContact CG-CD1 3.73Å; Q629-L633 HydrophobicContact CG-CG 4.39Å; Q629-L633 PolarHBondContact O-N 3.15Å; Q629-L633 VanDerWaalsContact O-N 3.15Å; W630-L633 PolarHBondContact O-N 3.44Å; W630-L633 VanDerWaalsContact O-N 3.15Å
634	A	87	Confident	87.8	Confident	15 Å²	15	66.5 Å²	66.5	12%	0.124	33%	0.329	C	S	.	.	S	Bend	trans	-82.6	150.2	-179.5	0	0	0	0	0	111	F521 W630 L638	F521-A634 HydrophobicContact CE2-CB 4.08Å; F521-A634 HydrophobicContact CZ-CB 4.15Å; W630-A634 HydrophobicContact CD2-CB 3.89Å; W630-A634 HydrophobicContact CE3-CB 4.45Å; W630-A634 HydrophobicContact CG-CB 4.18Å; W630-A634 HydrophobicContact CZ2-CB 4.05Å; W630-A634 VanDerWaalsContact O-CB 3.25Å; W630-A634 WeakPolarHBondContact O-CB 3.1Å; W630-A634 PolarHBondContact O-N 3.42Å; A634-L638 HydrophobicContact CB-CB 4.34Å; A634-L638 HydrophobicContact CB-CD1 4.46Å
635	D	85.8	Confident	87.6	Confident	118 Å²	118	69.9 Å²	69.9	63%	0.631	35%	0.346	S	S	*	.			trans	-59.8	146.6	170.9	-59.1	-44.1	0	0	0	110.6	E637 L638	D635-E637 PolarHBondContact O-N 2.79Å; D635-E637 VanDerWaalsContact O-N 3.14Å; D635-L638 WeakPolarHBondContact O-CB 3.07Å; D635-L638 PolarHBondContact O-N 3.24Å
636	E	82.6	Confident	87.5	Confident	182 Å²	182	73.9 Å²	73.9	85%	0.85	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-58.8	-29.2	-178.1	-66.5	-173.1	169.8	0	0	112.8	L638 V639	E636-L638 PolarHBondContact O-N 3.1Å; E636-V639 PolarHBondContact O-N 3.14Å; E636-V639 VanDerWaalsContact O-N 3.1Å
637	E	84.5	Confident	87.2	Confident	185 Å²	185	78.6 Å²	78.6	86%	0.864	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22	175.5	-61.6	-175.7	175.5	0	0	113.2	D635 V639	D635-E637 PolarHBondContact O-N 2.79Å; D635-E637 VanDerWaalsContact O-N 3.14Å; E637-V639 VanDerWaalsContact C-N 3.27Å; E637-V639 PolarHBondContact O-N 2.92Å
638	L	85.3	Confident	86.9	Confident	40 Å²	40	83.7 Å²	83.7	21%	0.209	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-91.3	16.3	177.1	-60.8	178.7	0	0	0	112.6	L525 V528 P556 W630 A634 D635 E636	L525-L638 HydrophobicContact CD1-CD1 3.49Å; L525-L638 VanDerWaalsContact CD1-CD1 3.49Å; V528-L638 HydrophobicContact CG1-CD2 4.31Å; P556-L638 WeakPolarHBondContact CD-O 3.38Å; P556-L638 HydrophobicContact CG-CD2 4.45Å; W630-L638 HydrophobicContact CZ2-CB 3.97Å; W630-L638 HydrophobicContact CZ2-CD1 4.44Å; W630-L638 PolarHBondContact NE1-O 3.45Å; A634-L638 HydrophobicContact CB-CB 4.34Å; A634-L638 HydrophobicContact CB-CD1 4.46Å; D635-L638 WeakPolarHBondContact O-CB 3.07Å; D635-L638 PolarHBondContact O-N 3.24Å; E636-L638 PolarHBondContact O-N 3.1Å
639	V	87.1	Confident	86.6	Confident	35 Å²	35	88.9 Å²	88.9	21%	0.212	44%	0.438	C	S	.	.			trans	-112.5	102.9	171.1	-178.1	0	0	0	0	108.8	F627 E636 E637	F627-V639 HydrophobicContact CE2-CG1 4.34Å; F627-V639 HydrophobicContact CZ-CG1 3.86Å; E636-V639 PolarHBondContact O-N 3.14Å; E636-V639 VanDerWaalsContact O-N 3.1Å; E637-V639 VanDerWaalsContact C-N 3.27Å; E637-V639 PolarHBondContact O-N 2.92Å
640	V	86.4	Confident	86.2	Confident	52 Å²	52	93.8 Å²	93.8	32%	0.315	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-84	137.8	-178.4	-175	0	0	0	0	110	G553 H554 P556	G553-V640 CarbonylContact C-O 3.39Å; G553-V640 WeakPolarHBondContact CA-O 3.33Å; H554-V640 PolarHBondContact N-O 2.84Å; H554-V640 PolarHBondContact ND1-O 3.38Å; H554-V640 PolarHBondContact O-N 3.4Å; P556-V640 HydrophobicContact CB-CG2 3.94Å; P556-V640 HydrophobicContact CG-CG2 3.72Å
641	K	85.2	Confident	85.8	Confident	131 Å²	131	101.7 Å²	101.7	57%	0.57	50%	0.502	S	S	*	.			trans	-122.4	145.4	168.2	-60.8	-178.6	-176.9	179.4	0	107.9	A545	A545-K641 CarbonylContact O-C 3.54Å; A545-K641 WeakPolarHBondContact O-CA 3.43Å
642	E	77.1	Confident	85.4	Confident	186 Å²	186	105.3 Å²	105.3	87%	0.869	51%	0.513	S	S	*	.			trans	-83.6	0	178.9	-68.4	-175.2	164.7	0	0	112.7	A545	A545-E642 HydrophobicContact CB-CB 4.2Å; A545-E642 HydrophobicContact CB-CG 4.49Å; A545-E642 PolarHBondContact O-N 3.49Å

Retrieved 642 of 642 residues in 408.2 ms (Link to these results)

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