A0A077Z8J2_TRITR Loading...

cysteine desulfurase

AlphaFold DB , UniProt , Accession A0A077Z8J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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	31.7	Very low	32	Very low	246 Å²	246	145.1 Å²	145.1	100%	1.212	81%	0.809	S	S	*	*				0	88.4	0	-90.8	-176.4	-99	0	0	109
2	I	26.9	Very low	32.6	Very low	159 Å²	159	139.3 Å²	139.3	82%	0.815	79%	0.785	S	S	*	*			trans	-136.2	104.9	164.1	-62.7	179.7	0	0	0	104.7	V4	I2-V4 HydrophobicContact CG2-CG2 4.26Å
3	S	23.4	Very low	33.2	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	76%	0.76	S	S	*	*			trans	-85.3	111.9	176.6	164.1	0	0	0	0	108
4	V	29.1	Very low	34.1	Very low	127 Å²	127	131.1 Å²	131.1	77%	0.77	74%	0.736	S	S	*	*			trans	-96	110.3	171.7	-174.8	0	0	0	0	108.1	I2	I2-V4 HydrophobicContact CG2-CG2 4.26Å
5	S	30.2	Very low	34.8	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	74%	0.736	S	S	*	*			trans	-61.3	135.9	177.6	60.6	0	0	0	0	111.4	G7	S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 2.85Å
6	K	28.7	Very low	35.3	Very low	215 Å²	215	136.5 Å²	136.5	94%	0.935	73%	0.732	S	S	*	*			trans	-66.2	82.5	167.6	-72.8	-178.1	176.4	178.5	0	110.4
7	G	32.1	Very low	35.9	Very low	61 Å²	61	140.2 Å²	140.2	63%	0.629	73%	0.734	S	S	*	*			trans	-79.8	112	166.1	0	0	0	0	0	110	S5 L9	S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 2.85Å; G7-L9 PolarHBondContact O-N 3.32Å
8	K	34.8	Very low	36.5	Very low	208 Å²	208	135.4 Å²	135.4	90%	0.904	71%	0.711	S	S	*	*			trans	-65.2	111.2	166.1	-73.5	-180	176	179.6	0	108.2
9	L	33.8	Very low	36.9	Very low	153 Å²	153	135.4 Å²	135.4	80%	0.801	71%	0.707	S	S	*	*			trans	-69.9	132.5	168.1	-84.3	158.9	0	0	0	109.2	G7 V11	G7-L9 PolarHBondContact O-N 3.32Å; L9-V11 PolarHBondContact O-N 3Å
10	P	34.4	Very low	37.1	Very low	80 Å²	80	135 Å²	135	52%	0.519	70%	0.701	S	S	.	*			trans	-78.6	123.4	179.9	30.1	-30.4	0	0	0	110	S12 S13	P10-S12 PolarHBondContact O-N 3.2Å; P10-S13 PolarHBondContact O-N 2.85Å
11	V	47	Very low	37.5	Very low	125 Å²	125	131.1 Å²	131.1	76%	0.758	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-11.7	174.8	-177	0	0	0	0	112.9	L9	L9-V11 PolarHBondContact O-N 3Å
12	S	39.6	Very low	37.8	Very low	75 Å²	75	126.5 Å²	126.5	52%	0.524	66%	0.662	S	S	.	*	H	α-helix	trans	-72.3	-24.6	177.8	63.6	0	0	0	0	114.7	P10 K16	P10-S12 PolarHBondContact O-N 3.2Å; S12-K16 PolarHBondContact O-N 3.3Å
13	S	40.2	Very low	38.5	Very low	65 Å²	65	121.8 Å²	121.8	46%	0.455	65%	0.647	S	S	.	*	H	α-helix	trans	-74.2	-30.5	-177.4	73.9	0	0	0	0	112.8	P10 R17	P10-S13 PolarHBondContact O-N 2.85Å; S13-R17 PolarHBondContact O-N 2.67Å
14	F	45	Very low	39.2	Very low	99 Å²	99	119.5 Å²	119.5	43%	0.434	63%	0.628	S	S	.	*	H	α-helix	trans	-77.6	-41.8	178.3	-162.2	-99.7	0	0	0	111.9	K16 R17 V18	F14-K16 VanDerWaalsContact C-N 3.28Å; F14-K16 PolarHBondContact O-N 2.81Å; F14-R17 PolarHBondContact O-N 3.21Å; F14-R17 VanDerWaalsContact O-N 3.12Å; F14-V18 HydrophobicContact CD1-CG2 3.86Å; F14-V18 HydrophobicContact CE1-CG2 3.61Å; F14-V18 HydrophobicContact CZ-CG2 4.12Å; F14-V18 WeakPolarHBondContact O-CG2 3.38Å; F14-V18 PolarHBondContact O-N 3.25Å
15	R	44.4	Very low	39.8	Very low	193 Å²	193	117 Å²	117	73%	0.728	62%	0.616	S	S	*	*	H	α-helix	trans	-56.9	-41.1	172.5	-92.8	-174	172	177.1	-1.9	112.1	Q19	R15-Q19 WeakPolarHBondContact O-CB 3.38Å; R15-Q19 WeakPolarHBondContact O-CG 3.22Å; R15-Q19 PolarHBondContact O-N 3.34Å
16	K	42.8	Very low	40.2	Very low	156 Å²	156	116.3 Å²	116.3	68%	0.678	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-41	174.8	-83.4	-173.4	175.4	-175.9	0	112.8	S12 F14 H20	S12-K16 PolarHBondContact O-N 3.3Å; F14-K16 VanDerWaalsContact C-N 3.28Å; F14-K16 PolarHBondContact O-N 2.81Å; K16-H20 VanDerWaalsContact O-CB 3.28Å; K16-H20 WeakPolarHBondContact O-CB 3.32Å; K16-H20 PolarHBondContact O-N 3.36Å
17	R	45.4	Very low	40.5	Very low	200 Å²	200	110.3 Å²	110.3	76%	0.755	60%	0.602	S	S	*	*	H	α-helix	trans	-68.8	-37.9	178.3	-78	-175	-173.7	-167.3	1.8	113.1	S13 F14 H20 A21	S13-R17 PolarHBondContact O-N 2.67Å; F14-R17 PolarHBondContact O-N 3.21Å; F14-R17 VanDerWaalsContact O-N 3.12Å; R17-H20 PolarHBondContact O-N 3.34Å; R17-A21 WeakPolarHBondContact O-CB 3.25Å; R17-A21 PolarHBondContact O-N 2.8Å
18	V	47.8	Very low	40.7	Very low	54 Å²	54	118 Å²	118	33%	0.327	61%	0.611	S	S	.	*	H	α-helix	trans	-69	-45	176.1	175.7	0	0	0	0	110.5	F14 H20 A21 F22	F14-V18 HydrophobicContact CD1-CG2 3.86Å; F14-V18 HydrophobicContact CE1-CG2 3.61Å; F14-V18 HydrophobicContact CZ-CG2 4.12Å; F14-V18 WeakPolarHBondContact O-CG2 3.38Å; F14-V18 PolarHBondContact O-N 3.25Å; V18-H20 VanDerWaalsContact C-N 3.32Å; V18-H20 PolarHBondContact O-N 3.42Å; V18-A21 PolarHBondContact O-N 3.36Å; V18-F22 HydrophobicContact CG1-CD2 3.62Å; V18-F22 HydrophobicContact CG1-CE2 3.5Å; V18-F22 VanDerWaalsContact CG1-CE2 3.5Å; V18-F22 WeakPolarHBondContact O-CD2 3.17Å; V18-F22 PolarHBondContact O-N 2.8Å
19	Q	43.6	Very low	40.7	Very low	135 Å²	135	111.4 Å²	111.4	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-61.2	-38.7	172.6	-78.6	179.2	-29.8	0	0	112.5	R15 A23	R15-Q19 WeakPolarHBondContact O-CB 3.38Å; R15-Q19 WeakPolarHBondContact O-CG 3.22Å; R15-Q19 PolarHBondContact O-N 3.34Å; Q19-A23 VanDerWaalsContact O-CB 3.24Å; Q19-A23 WeakPolarHBondContact O-CB 3.46Å; Q19-A23 PolarHBondContact O-N 3.43Å
20	H	42	Very low	40.7	Very low	127 Å²	127	110.2 Å²	110.2	59%	0.588	59%	0.59	S	S	*	*	H	α-helix	trans	-68.8	-38.6	176.9	-142.8	-51.6	0	0	0	111.7	K16 R17 V18 A23 T24	K16-H20 VanDerWaalsContact O-CB 3.28Å; K16-H20 WeakPolarHBondContact O-CB 3.32Å; K16-H20 PolarHBondContact O-N 3.36Å; R17-H20 PolarHBondContact O-N 3.34Å; V18-H20 VanDerWaalsContact C-N 3.32Å; V18-H20 PolarHBondContact O-N 3.42Å; H20-A23 PolarHBondContact O-N 3.16Å; H20-T24 PolarHBondContact O-N 2.99Å; H20-T24 PolarHBondContact O-OG1 2.92Å
21	A	43.8	Very low	40.9	Very low	54 Å²	54	112.7 Å²	112.7	45%	0.446	60%	0.604	S	S	.	*	H	α-helix	trans	-64	-43.6	175.5	0	0	0	0	0	111.8	R17 V18 T24 S25	R17-A21 WeakPolarHBondContact O-CB 3.25Å; R17-A21 PolarHBondContact O-N 2.8Å; V18-A21 PolarHBondContact O-N 3.36Å; A21-T24 PolarHBondContact O-N 2.86Å; A21-T24 PolarHBondContact O-OG1 2.83Å; A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 2.64Å; A21-S25 PolarHBondContact O-OG 3.21Å; A21-S25 VanDerWaalsContact O-OG 3.12Å
22	F	38.7	Very low	40.4	Very low	149 Å²	149	112.9 Å²	112.9	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-66.7	-34.2	173.5	-80.6	-69.6	0	0	0	112.8	V18 S25 A26	V18-F22 HydrophobicContact CG1-CD2 3.62Å; V18-F22 HydrophobicContact CG1-CE2 3.5Å; V18-F22 VanDerWaalsContact CG1-CE2 3.5Å; V18-F22 WeakPolarHBondContact O-CD2 3.17Å; V18-F22 PolarHBondContact O-N 2.8Å; F22-S25 WeakPolarHBondContact CA-OG 3.4Å; F22-S25 PolarHBondContact O-OG 3.46Å; F22-S25 VanDerWaalsContact O-OG 3.1Å; F22-A26 WeakPolarHBondContact O-CB 3.4Å; F22-A26 PolarHBondContact O-N 2.9Å
23	A	40.9	Very low	40.4	Very low	60 Å²	60	113.3 Å²	113.3	50%	0.496	60%	0.604	S	S	.	*	H	α-helix	trans	-74.4	-33.5	176.2	0	0	0	0	0	113	Q19 H20	Q19-A23 VanDerWaalsContact O-CB 3.24Å; Q19-A23 WeakPolarHBondContact O-CB 3.46Å; Q19-A23 PolarHBondContact O-N 3.43Å; H20-A23 PolarHBondContact O-N 3.16Å
24	T	39.7	Very low	40.2	Very low	73 Å²	73	116.9 Å²	116.9	45%	0.448	62%	0.617	S	S	.	*	H	α-helix	trans	-82.5	-22.8	175.4	42.6	0	0	0	0	113.9	H20 A21 A26	H20-T24 PolarHBondContact O-N 2.99Å; H20-T24 PolarHBondContact O-OG1 2.92Å; A21-T24 PolarHBondContact O-N 2.86Å; A21-T24 PolarHBondContact O-OG1 2.83Å; T24-A26 VanDerWaalsContact C-N 3.35Å
25	S	40.8	Very low	39.8	Very low	75 Å²	75	116.1 Å²	116.1	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-77.2	-24.2	169.5	62	0	0	0	0	112.3	A21 F22 S27	A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 2.64Å; A21-S25 PolarHBondContact O-OG 3.21Å; A21-S25 VanDerWaalsContact O-OG 3.12Å; F22-S25 WeakPolarHBondContact CA-OG 3.4Å; F22-S25 PolarHBondContact O-OG 3.46Å; F22-S25 VanDerWaalsContact O-OG 3.1Å; S25-S27 VanDerWaalsContact C-N 3.29Å; S25-S27 PolarHBondContact O-N 3.15Å
26	A	38.3	Very low	39.3	Very low	85 Å²	85	110.8 Å²	110.8	70%	0.702	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-11.2	176.8	0	0	0	0	0	114.1	F22 T24	F22-A26 WeakPolarHBondContact O-CB 3.4Å; F22-A26 PolarHBondContact O-N 2.9Å; T24-A26 VanDerWaalsContact C-N 3.35Å
27	S	36.5	Very low	39.1	Very low	90 Å²	90	110.5 Å²	110.5	63%	0.629	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	11.1	-174.7	77.1	0	0	0	0	115	S25	S25-S27 VanDerWaalsContact C-N 3.29Å; S25-S27 PolarHBondContact O-N 3.15Å
28	R	34.4	Very low	38.5	Very low	222 Å²	222	107.9 Å²	107.9	84%	0.838	62%	0.62	S	S	*	*			trans	-144	20.1	-179.5	-81.4	-170.5	175.9	174.1	-2	114.5	D30	R28-D30 VanDerWaalsContact C-N 3.29Å; R28-D30 PolarHBondContact O-N 3.02Å
29	A	35.8	Very low	38	Very low	70 Å²	70	113.4 Å²	113.4	58%	0.579	64%	0.642	S	S	*	*			trans	-76.5	90.2	165.2	0	0	0	0	0	108.2	T31	A29-T31 PolarHBondContact O-N 3.43Å
30	D	34.3	Very low	37.9	Very low	127 Å²	127	114.2 Å²	114.2	68%	0.679	64%	0.639	S	S	*	*			trans	-47.4	124.7	162.7	-85.1	-39.1	0	0	0	109.2	R28 D32 S33	R28-D30 VanDerWaalsContact C-N 3.29Å; R28-D30 PolarHBondContact O-N 3.02Å; D30-D32 PolarHBondContact O-N 2.88Å; D30-S33 PolarHBondContact O-N 3.1Å; D30-S33 VanDerWaalsContact O-N 3.11Å; D30-S33 PolarHBondContact O-OG 3.42Å
31	T	37.2	Very low	38.4	Very low	133 Å²	133	113 Å²	113	82%	0.816	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-1	-177.7	34.6	0	0	0	0	115	A29	A29-T31 PolarHBondContact O-N 3.43Å
32	D	37	Very low	38.3	Very low	128 Å²	128	114.4 Å²	114.4	68%	0.684	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-12	178	-74.8	-34.9	0	0	0	114.3	D30 S35	D30-D32 PolarHBondContact O-N 2.88Å; D32-S35 PolarHBondContact O-N 3.24Å; D32-S35 PolarHBondContact O-OG 3.18Å
33	S	39.7	Very low	38.4	Very low	84 Å²	84	111.7 Å²	111.7	59%	0.587	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-86.5	-8.8	-175.2	62.7	0	0	0	0	115.3	D30	D30-S33 PolarHBondContact O-N 3.1Å; D30-S33 VanDerWaalsContact O-N 3.11Å; D30-S33 PolarHBondContact O-OG 3.42Å
34	L	36.6	Very low	38.9	Very low	140 Å²	140	114.8 Å²	114.8	73%	0.733	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-84.1	-8.6	169.8	-80.6	159.9	0	0	0	113.2	A36	L34-A36 VanDerWaalsContact C-N 3.26Å; L34-A36 PolarHBondContact O-N 3.32Å
35	S	35.7	Very low	39.2	Very low	84 Å²	84	116.7 Å²	116.7	59%	0.587	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-81.4	1.7	-178	72.3	0	0	0	0	114.6	D32	D32-S35 PolarHBondContact O-N 3.24Å; D32-S35 PolarHBondContact O-OG 3.18Å
36	A	34.9	Very low	39.2	Very low	80 Å²	80	121.7 Å²	121.7	66%	0.661	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-117.8	6.7	-172	0	0	0	0	0	115.9	L34 K38	L34-A36 VanDerWaalsContact C-N 3.26Å; L34-A36 PolarHBondContact O-N 3.32Å; A36-K38 PolarHBondContact O-N 3.31Å
37	I	38	Very low	39.8	Very low	150 Å²	150	128.8 Å²	128.8	77%	0.769	67%	0.665	S	S	*	*			trans	-79.9	66.2	161.2	-53.5	177.3	0	0	0	108	Q39	I37-Q39 PolarHBondContact O-N 3.44Å
38	K	33.6	Very low	40.4	Very low	145 Å²	145	128.2 Å²	128.2	63%	0.63	67%	0.665	S	S	*	*			trans	-95.6	75.5	170.2	-85.9	-177.6	170.4	170.4	0	108.9	A36 R40	A36-K38 PolarHBondContact O-N 3.31Å; K38-R40 HydrophobicContact CG-CG 4.01Å
39	Q	37.5	Very low	41.1	Very low	170 Å²	170	121.1 Å²	121.1	79%	0.794	66%	0.661	S	S	*	*				-90.7	89	129.3	-97	-175.2	-17.8	0	0	105.9	I37 T41	I37-Q39 PolarHBondContact O-N 3.44Å; Q39-T41 VanDerWaalsContact C-N 3.27Å; Q39-T41 PolarHBondContact O-N 2.83Å
40	R	41.3	Very low	42.5	Very low	153 Å²	153	123.6 Å²	123.6	58%	0.577	67%	0.669	S	S	*	*			trans	-83.6	88.5	176.8	-105.6	170	91.1	133.5	177.4	107.9	K38 E43	K38-R40 HydrophobicContact CG-CG 4.01Å; R40-E43 HydrophobicContact CB-CG 3.86Å; R40-E43 WeakPolarHBondContact CB-OE1 3.33Å; R40-E43 VanDerWaalsContact CD-OE1 3.24Å; R40-E43 WeakPolarHBondContact CD-OE1 3.41Å; R40-E43 HydrophobicContact CG-CG 3.44Å; R40-E43 VanDerWaalsContact CG-CG 3.44Å; R40-E43 WeakPolarHBondContact CG-OE1 3.3Å; R40-E43 IonicContact CZ-OE1 2.71Å; R40-E43 IonicContact CZ-OE2 3.34Å; R40-E43 VanDerWaalsContact CZ-OE2 3.3Å; R40-E43 IonicContact NE-OE1 2.66Å; R40-E43 PolarHBondContact NE-OE1 3.02Å; R40-E43 IonicContact NE-OE2 3.17Å; R40-E43 PolarHBondContact NE-OE2 3.48Å; R40-E43 IonicContact NH1-OE1 3.17Å; R40-E43 IonicContact NH1-OE2 2.69Å; R40-E43 PolarHBondContact NH1-OE2 3.19Å
41	T	51.9	Low	44.6	Very low	102 Å²	102	128 Å²	128	63%	0.626	68%	0.676	S	S	*	*			trans	-136.1	156.1	164.9	50.8	0	0	0	0	102	Q39 E43	Q39-T41 VanDerWaalsContact C-N 3.27Å; Q39-T41 PolarHBondContact O-N 2.83Å; T41-E43 PolarHBondContact O-N 3.05Å; T41-E43 VanDerWaalsContact O-N 3.12Å
42	V	41.2	Very low	46.9	Very low	82 Å²	82	123.9 Å²	123.9	50%	0.497	65%	0.652	S	S	.	*	S	Bend	trans	66	9.8	-174.3	-176.7	0	0	0	0	113.2	D44 Y45	V42-D44 PolarHBondContact O-N 3.38Å; V42-Y45 HydrophobicContact CB-CD2 3.53Å; V42-Y45 HydrophobicContact CB-CE2 3.95Å; V42-Y45 HydrophobicContact CB-CG 4.37Å; V42-Y45 HydrophobicContact CG1-CD2 3.29Å; V42-Y45 HydrophobicContact CG1-CE2 4.07Å; V42-Y45 HydrophobicContact CG1-CG 3.64Å; V42-Y45 HydrophobicContact CG2-CD2 3.74Å; V42-Y45 HydrophobicContact CG2-CE2 3.64Å; V42-Y45 PolarHBondContact O-N 3.3Å
43	E	42.2	Very low	49.5	Very low	93 Å²	93	119.7 Å²	119.7	44%	0.435	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.2	-27.1	168.8	-79.8	-170.3	-147	0	0	112.5	R40 T41	R40-E43 HydrophobicContact CB-CG 3.86Å; R40-E43 WeakPolarHBondContact CB-OE1 3.33Å; R40-E43 VanDerWaalsContact CD-OE1 3.24Å; R40-E43 WeakPolarHBondContact CD-OE1 3.41Å; R40-E43 HydrophobicContact CG-CG 3.44Å; R40-E43 VanDerWaalsContact CG-CG 3.44Å; R40-E43 WeakPolarHBondContact CG-OE1 3.3Å; R40-E43 IonicContact CZ-OE1 2.71Å; R40-E43 IonicContact CZ-OE2 3.34Å; R40-E43 VanDerWaalsContact CZ-OE2 3.3Å; R40-E43 IonicContact NE-OE1 2.66Å; R40-E43 PolarHBondContact NE-OE1 3.02Å; R40-E43 IonicContact NE-OE2 3.17Å; R40-E43 PolarHBondContact NE-OE2 3.48Å; R40-E43 IonicContact NH1-OE1 3.17Å; R40-E43 IonicContact NH1-OE2 2.69Å; R40-E43 PolarHBondContact NH1-OE2 3.19Å; T41-E43 PolarHBondContact O-N 3.05Å; T41-E43 VanDerWaalsContact O-N 3.12Å
44	D	50.3	Low	52	Low	124 Å²	124	119.8 Å²	119.8	66%	0.663	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-25	-177	-57.3	-53.1	0	0	0	113.8	V42 E46 R47	V42-D44 PolarHBondContact O-N 3.38Å; D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 3.18Å; D44-R47 PolarHBondContact O-N 3.41Å
45	Y	46.8	Very low	54.6	Low	113 Å²	113	113.1 Å²	113.1	44%	0.443	58%	0.582	S	S	.	*	H	α-helix	trans	-77.2	-21.7	-173.9	-66.6	-99	0	0	0	112.6	V42 R47 P52	V42-Y45 HydrophobicContact CB-CD2 3.53Å; V42-Y45 HydrophobicContact CB-CE2 3.95Å; V42-Y45 HydrophobicContact CB-CG 4.37Å; V42-Y45 HydrophobicContact CG1-CD2 3.29Å; V42-Y45 HydrophobicContact CG1-CE2 4.07Å; V42-Y45 HydrophobicContact CG1-CG 3.64Å; V42-Y45 HydrophobicContact CG2-CD2 3.74Å; V42-Y45 HydrophobicContact CG2-CE2 3.64Å; V42-Y45 PolarHBondContact O-N 3.3Å; Y45-R47 VanDerWaalsContact C-N 3.34Å; Y45-P52 HydrophobicContact CD1-CG 4.33Å; Y45-P52 HydrophobicContact CE1-CB 4.38Å; Y45-P52 VanDerWaalsContact CE1-CD 3.42Å; Y45-P52 HydrophobicContact CE1-CG 3.57Å
46	E	39.5	Very low	57.4	Low	181 Å²	181	110.1 Å²	110.1	85%	0.846	56%	0.56	S	S	*	*	H	α-helix	trans	-79.6	-13.5	175.4	-70.9	-173.4	152.2	0	0	113.2	D44	D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 3.18Å
47	R	52	Low	60.2	Low	234 Å²	234	106.8 Å²	106.8	88%	0.883	53%	0.531	S	S	*	.	H	α-helix	trans	-89.5	-16.4	174.9	-82.9	-177.4	174.6	171.4	-1.2	114.6	D44 Y45	D44-R47 PolarHBondContact O-N 3.41Å; Y45-R47 VanDerWaalsContact C-N 3.34Å
48	A	49.4	Very low	62.9	Low	78 Å²	78	99.7 Å²	99.7	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-112.4	-2.2	-171.1	0	0	0	0	0	115.7	V50	A48-V50 VanDerWaalsContact C-N 3.3Å; A48-V50 PolarHBondContact O-N 2.96Å; A48-V50 VanDerWaalsContact O-N 3.1Å
49	G	48.8	Very low	65.6	Low	73 Å²	73	93.8 Å²	93.8	75%	0.753	47%	0.471	S	S	*	.	S	Bend	trans	70.3	3.3	166.1	0	0	0	0	0	118.2
50	V	64.7	Low	68.4	Low	121 Å²	121	86.9 Å²	86.9	73%	0.733	44%	0.441	S	S	*	.			trans	-144.1	134	175.9	-167.9	0	0	0	0	110.9	A48	A48-V50 VanDerWaalsContact C-N 3.3Å; A48-V50 PolarHBondContact O-N 2.96Å; A48-V50 VanDerWaalsContact O-N 3.1Å
51	R	78.7	Confident	71.1	Confident	219 Å²	219	79.8 Å²	79.8	83%	0.826	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-77.3	146.5	175.3	-70	180	66	102.9	1.3	110.7
52	P	85.2	Confident	73.3	Confident	48 Å²	48	77.7 Å²	77.7	31%	0.312	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-70.6	152.9	178.3	32.9	-37.1	0	0	0	110.6	Y45	Y45-P52 HydrophobicContact CD1-CG 4.33Å; Y45-P52 HydrophobicContact CE1-CB 4.38Å; Y45-P52 VanDerWaalsContact CE1-CD 3.42Å; Y45-P52 HydrophobicContact CE1-CG 3.57Å
53	L	91.1	Very high	76	Confident	39 Å²	39	77 Å²	77	20%	0.204	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141	171.7	-55.9	-174.2	0	0	0	110.3	A357 E401 Y404	L53-A357 WeakPolarHBondContact O-CB 3.44Å; L53-A357 PolarHBondContact O-N 3.04Å; L53-E401 HydrophobicContact CD1-CB 3.97Å; L53-E401 HydrophobicContact CD1-CG 4.13Å; L53-E401 HydrophobicContact CD2-CG 3.93Å; L53-Y404 HydrophobicContact CD1-CD1 3.47Å; L53-Y404 VanDerWaalsContact CD1-CD1 3.47Å; L53-Y404 HydrophobicContact CD1-CE1 4.25Å; L53-Y404 HydrophobicContact CD1-CG 4.1Å; L53-Y404 HydrophobicContact CG-CD1 4.4Å
54	Y	91.8	Very high	78.7	Confident	87 Å²	87	72.7 Å²	72.7	34%	0.341	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	97.4	-177.9	-167.7	-105.3	0	0	0	111.6	D56 V57 T60 A357	Y54-D56 HydrophobicContact CE2-CB 3.99Å; Y54-D56 PolarHBondContact OH-O 3.21Å; Y54-D56 VanDerWaalsContact OH-O 3.06Å; Y54-V57 HydrophobicContact CD1-CG1 4.13Å; Y54-V57 HydrophobicContact CE1-CG1 4.04Å; Y54-T60 VanDerWaalsContact CE1-O 3.3Å; Y54-T60 WeakPolarHBondContact CE1-O 3.29Å; Y54-T60 WeakPolarHBondContact OH-CG2 3.29Å; Y54-T60 PolarHBondContact OH-O 3.41Å; Y54-A357 HydrophobicContact CD2-CB 4.24Å
55	M	92.8	Very high	81	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.371	C	S	.	.			trans	-114.1	40.9	179.8	-63.5	-68.8	-79.4	0	0	110.7	L323 V356 A357 L358 G392 I393 T397 V402 T405	M55-L323 HydrophobicContact CE-CD1 3.53Å; M55-V356 HydrophobicContact CB-CG1 3.82Å; M55-V356 HydrophobicContact CG-CG1 3.63Å; M55-A357 CarbonylContact C-O 3.53Å; M55-A357 PolarHBondContact N-O 3.05Å; M55-A357 VanDerWaalsContact N-O 3.16Å; M55-L358 HydrophobicContact CB-CD2 3.49Å; M55-L358 VanDerWaalsContact CB-CD2 3.49Å; M55-G392 CarbonylContact C-O 3.57Å; M55-G392 VanDerWaalsContact CA-O 3.23Å; M55-G392 WeakPolarHBondContact CA-O 3.35Å; M55-G392 WeakPolarHBondContact O-CA 3.28Å; M55-G392 PolarHBondContact O-N 2.88Å; M55-I393 HydrophobicContact CE-CD1 4.45Å; M55-I393 HydrophobicContact CE-CG1 3.83Å; M55-T397 HydrophobicContact CE-CG2 4.43Å; M55-T397 HydrophobicContact SD-CG2 3.71Å; M55-V402 HydrophobicContact CE-CG2 4.35Å; M55-T405 HydrophobicContact CE-CG2 4.4Å
56	D	93	Very high	83.4	Confident	21 Å²	21	70.9 Å²	70.9	11%	0.112	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-133.9	33.9	-173.5	-166.9	36.7	0	0	0	113.6	Y54 Q58 S59 R390	Y54-D56 HydrophobicContact CE2-CB 3.99Å; Y54-D56 PolarHBondContact OH-O 3.21Å; Y54-D56 VanDerWaalsContact OH-O 3.06Å; D56-Q58 PolarHBondContact O-N 2.92Å; D56-Q58 VanDerWaalsContact O-N 3.07Å; D56-S59 WeakPolarHBondContact O-CB 3.43Å; D56-S59 PolarHBondContact O-N 3.24Å; D56-S59 PolarHBondContact OD1-OG 3.28Å; D56-S59 WeakPolarHBondContact OD2-CB 3.4Å; D56-S59 PolarHBondContact OD2-OG 2.95Å; D56-R390 IonicContact OD1-CZ 3.45Å; D56-R390 IonicContact OD1-NE 3.3Å; D56-R390 IonicContact OD1-NH2 3.85Å; D56-R390 PolarHBondContact OD1-NH2 3.16Å
57	V	95.6	Very high	86.2	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.055	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.2	-172	-58	0	0	0	0	114.6	Y54 S59 T60 T61 I393	Y54-V57 HydrophobicContact CD1-CG1 4.13Å; Y54-V57 HydrophobicContact CE1-CG1 4.04Å; V57-S59 VanDerWaalsContact C-N 3.3Å; V57-S59 PolarHBondContact O-N 3.19Å; V57-T60 WeakPolarHBondContact CA-O 3.32Å; V57-T60 CarbonylContact O-C 3.25Å; V57-T60 PolarHBondContact O-N 3.48Å; V57-T61 HydrophobicContact CB-CG2 4.22Å; V57-I393 WeakPolarHBondContact CG2-O 3.01Å
58	Q	93	Very high	88.5	Confident	2 Å²	2	55 Å²	55	1%	0.009	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.2	174.6	-77.5	69.6	28.9	0	0	112.9	D56 Q229 K252 G346 E347 R390	D56-Q58 PolarHBondContact O-N 2.92Å; D56-Q58 VanDerWaalsContact O-N 3.07Å; Q58-Q229 PolarHBondContact O-NE2 2.68Å; Q58-K252 WeakPolarHBondContact O-CE 3.41Å; Q58-K252 PolarHBondContact O-NZ 3.26Å; Q58-G346 PolarHBondContact NE2-O 3.02Å; Q58-E347 HydrophobicContact CG-CG 3.56Å; Q58-E347 WeakPolarHBondContact CG-OE1 3.31Å; Q58-E347 PolarHBondContact NE2-OE1 2.99Å; Q58-R390 VanDerWaalsContact CB-CZ 3.43Å
59	S	91.4	Very high	90.8	Very high	20 Å²	20	56.8 Å²	56.8	14%	0.14	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-53.1	169.8	-64.6	0	0	0	0	109.6	D56 V57 H251 K252 A363 R390	D56-S59 WeakPolarHBondContact O-CB 3.43Å; D56-S59 PolarHBondContact O-N 3.24Å; D56-S59 PolarHBondContact OD1-OG 3.28Å; D56-S59 WeakPolarHBondContact OD2-CB 3.4Å; D56-S59 PolarHBondContact OD2-OG 2.95Å; V57-S59 VanDerWaalsContact C-N 3.3Å; V57-S59 PolarHBondContact O-N 3.19Å; S59-H251 PolarHBondContact O-CE1 3.33Å; S59-H251 VanDerWaalsContact O-CE1 3.26Å; S59-K252 VanDerWaalsContact O-CE 3.31Å; S59-K252 WeakPolarHBondContact O-CE 3.43Å; S59-A363 WeakPolarHBondContact OG-CB 3.47Å; S59-R390 PolarHBondContact OG-NH2 3.46Å
60	T	96.6	Very high	93.2	Very high	26 Å²	26	54.4 Å²	54.4	16%	0.16	28%	0.28	C	S	.	.			trans	-162.8	149.5	174	-161.7	0	0	0	0	110.8	Y54 V57 H251 K257	Y54-T60 VanDerWaalsContact CE1-O 3.3Å; Y54-T60 WeakPolarHBondContact CE1-O 3.29Å; Y54-T60 WeakPolarHBondContact OH-CG2 3.29Å; Y54-T60 PolarHBondContact OH-O 3.41Å; V57-T60 WeakPolarHBondContact CA-O 3.32Å; V57-T60 CarbonylContact O-C 3.25Å; V57-T60 PolarHBondContact O-N 3.48Å; T60-H251 PolarHBondContact OG1-ND1 2.89Å; T60-K257 WeakPolarHBondContact OG1-CE 3.24Å; T60-K257 PolarHBondContact OG1-NZ 3.45Å
61	T	97.5	Very high	94.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-94.2	152.6	173.6	54.6	0	0	0	0	111	V57 H251 Y254	V57-T61 HydrophobicContact CB-CG2 4.22Å; T61-H251 PolarHBondContact N-O 3.21Å; T61-H251 PolarHBondContact OG1-O 3.43Å; T61-Y254 HydrophobicContact CG2-CD1 3.98Å; T61-Y254 HydrophobicContact CG2-CE1 3.79Å; T61-Y254 HydrophobicContact CG2-CG 4.5Å; T61-Y254 WeakPolarHBondContact OG1-CA 3.27Å; T61-Y254 PolarHBondContact OG1-N 3.23Å
62	P	97	Very high	95.7	Very high	58 Å²	58	42.7 Å²	42.7	38%	0.377	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-59.4	150.3	160.5	28.9	-35.2	0	0	0	109.9	Y254 F396	P62-Y254 HydrophobicContact CG-CD1 4.42Å; P62-Y254 WeakPolarHBondContact O-CA 3.46Å; P62-Y254 WeakPolarHBondContact O-CD1 3.22Å; P62-F396 HydrophobicContact CG-CD2 3.6Å; P62-F396 HydrophobicContact CG-CE2 3.95Å
63	M	98.2	Very high	96.4	Very high	69 Å²	69	41.6 Å²	41.6	34%	0.34	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-73.3	132.8	174.6	-173.2	-180	-62.1	0	0	109.2	V67 L68 M71 Y254 P256	M63-V67 HydrophobicContact CG-CB 4.03Å; M63-V67 HydrophobicContact CG-CG1 3.83Å; M63-V67 HydrophobicContact SD-CG1 4.14Å; M63-L68 HydrophobicContact CG-CB 4.44Å; M63-L68 HydrophobicContact SD-CB 3.71Å; M63-L68 HydrophobicContact SD-CD1 3.94Å; M63-L68 HydrophobicContact SD-CG 4.38Å; M63-M71 HydrophobicContact CE-CE 4.42Å; M63-M71 HydrophobicContact CE-SD 3.97Å; M63-M71 HydrophobicContact SD-SD 3.83Å; M63-Y254 WeakPolarHBondContact CA-O 3.48Å; M63-P256 HydrophobicContact CE-CB 3.73Å
64	D	98.6	Very high	96.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.011	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.2	133.3	173.3	-169.6	-62.9	0	0	0	109.2	R66 V67 L68 Y254 R395	D64-R66 PolarHBondContact O-N 2.91Å; D64-R66 VanDerWaalsContact O-N 3.13Å; D64-R66 VanDerWaalsContact OD1-CB 3.26Å; D64-R66 WeakPolarHBondContact OD1-CB 3.34Å; D64-R66 WeakPolarHBondContact OD1-CG 3.33Å; D64-R66 IonicContact OD1-CZ 3.66Å; D64-R66 PolarHBondContact OD1-N 2.86Å; D64-R66 IonicContact OD1-NE 3.48Å; D64-R66 PolarHBondContact OD1-NE 3.44Å; D64-R66 IonicContact OD1-NH2 3.63Å; D64-R66 IonicContact OD2-CZ 2.74Å; D64-R66 IonicContact OD2-NE 3.76Å; D64-R66 PolarHBondContact OD2-NE 2.8Å; D64-R66 IonicContact OD2-NH2 2.8Å; D64-R66 PolarHBondContact OD2-NH2 2.73Å; D64-V67 HydrophobicContact CB-CB 4.2Å; D64-V67 HydrophobicContact CB-CG2 3.86Å; D64-V67 WeakPolarHBondContact O-CA 3.43Å; D64-V67 VanDerWaalsContact O-CB 3.27Å; D64-V67 WeakPolarHBondContact O-CB 3.47Å; D64-V67 PolarHBondContact O-N 3.03Å; D64-L68 PolarHBondContact O-N 3.4Å; D64-Y254 PolarHBondContact N-O 3.14Å; D64-R395 IonicContact OD2-CZ 3.36Å; D64-R395 IonicContact OD2-NH1 3.65Å; D64-R395 PolarHBondContact OD2-NH1 2.6Å
65	P	98.5	Very high	97	Very high	90 Å²	90	43.4 Å²	43.4	58%	0.584	23%	0.229	S	C	*	.	H	α-helix	trans	-54.2	-34	178.8	-28	35.6	0	0	0	113.6	V67 L68 D69	P65-V67 VanDerWaalsContact C-N 3.3Å; P65-V67 PolarHBondContact O-N 3.07Å; P65-L68 PolarHBondContact O-N 2.95Å; P65-D69 PolarHBondContact O-N 2.94Å
66	R	98.7	Very high	97.1	Very high	108 Å²	108	47 Å²	47	41%	0.408	25%	0.251	S	S	.	.	H	α-helix	trans	-69.5	-30	176.9	-61.4	168	-70.9	-175.8	-2.5	112.2	D64 A70 I304 E308	D64-R66 PolarHBondContact O-N 2.91Å; D64-R66 VanDerWaalsContact O-N 3.13Å; D64-R66 VanDerWaalsContact OD1-CB 3.26Å; D64-R66 WeakPolarHBondContact OD1-CB 3.34Å; D64-R66 WeakPolarHBondContact OD1-CG 3.33Å; D64-R66 IonicContact OD1-CZ 3.66Å; D64-R66 PolarHBondContact OD1-N 2.86Å; D64-R66 IonicContact OD1-NE 3.48Å; D64-R66 PolarHBondContact OD1-NE 3.44Å; D64-R66 IonicContact OD1-NH2 3.63Å; D64-R66 IonicContact OD2-CZ 2.74Å; D64-R66 IonicContact OD2-NE 3.76Å; D64-R66 PolarHBondContact OD2-NE 2.8Å; D64-R66 IonicContact OD2-NH2 2.8Å; D64-R66 PolarHBondContact OD2-NH2 2.73Å; R66-A70 PolarHBondContact O-N 3Å; R66-I304 HydrophobicContact CB-CD1 3.74Å; R66-I304 VanDerWaalsContact NH2-CG2 3.25Å; R66-E308 IonicContact CZ-OE1 3.2Å; R66-E308 IonicContact CZ-OE2 2.67Å; R66-E308 IonicContact NH1-OE1 2.95Å; R66-E308 PolarHBondContact NH1-OE1 3.06Å; R66-E308 IonicContact NH1-OE2 3.92Å; R66-E308 IonicContact NH2-OE1 2.63Å; R66-E308 PolarHBondContact NH2-OE1 2.96Å; R66-E308 IonicContact NH2-OE2 3.71Å; R66-E308 PolarHBondContact NH2-OE2 3.07Å
67	V	98.8	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-47.3	172	169.6	0	0	0	0	109.9	M63 D64 P65 D69 A70 M71 G297 A300 A301 I304	M63-V67 HydrophobicContact CG-CB 4.03Å; M63-V67 HydrophobicContact CG-CG1 3.83Å; M63-V67 HydrophobicContact SD-CG1 4.14Å; D64-V67 HydrophobicContact CB-CB 4.2Å; D64-V67 HydrophobicContact CB-CG2 3.86Å; D64-V67 WeakPolarHBondContact O-CA 3.43Å; D64-V67 VanDerWaalsContact O-CB 3.27Å; D64-V67 WeakPolarHBondContact O-CB 3.47Å; D64-V67 PolarHBondContact O-N 3.03Å; P65-V67 VanDerWaalsContact C-N 3.3Å; P65-V67 PolarHBondContact O-N 3.07Å; V67-D69 VanDerWaalsContact C-N 3.33Å; V67-D69 PolarHBondContact O-N 3.44Å; V67-A70 WeakPolarHBondContact O-CB 3.34Å; V67-A70 PolarHBondContact O-N 2.99Å; V67-M71 HydrophobicContact CG1-SD 3.95Å; V67-M71 VanDerWaalsContact O-CG 3.28Å; V67-M71 WeakPolarHBondContact O-CG 3.49Å; V67-M71 PolarHBondContact O-N 3.13Å; V67-G297 VanDerWaalsContact CG1-O 3.28Å; V67-G297 WeakPolarHBondContact CG1-O 3.35Å; V67-A300 HydrophobicContact CG2-CB 4.18Å; V67-A301 HydrophobicContact CG2-CB 3.78Å; V67-I304 HydrophobicContact CG2-CD1 3.81Å
68	L	98.6	Very high	97.2	Very high	82 Å²	82	53.9 Å²	53.9	43%	0.429	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-47	178.3	179.7	59.3	0	0	0	111.4	M63 D64 P65 A70 M71 L72	M63-L68 HydrophobicContact CG-CB 4.44Å; M63-L68 HydrophobicContact SD-CB 3.71Å; M63-L68 HydrophobicContact SD-CD1 3.94Å; M63-L68 HydrophobicContact SD-CG 4.38Å; D64-L68 PolarHBondContact O-N 3.4Å; P65-L68 PolarHBondContact O-N 2.95Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.45Å; L68-M71 WeakPolarHBondContact O-CB 3.37Å; L68-M71 PolarHBondContact O-N 3.4Å; L68-L72 HydrophobicContact CD1-CD2 4.41Å; L68-L72 HydrophobicContact CD1-CG 4.42Å; L68-L72 HydrophobicContact CG-CG 4.49Å; L68-L72 WeakPolarHBondContact O-CG 3.43Å; L68-L72 PolarHBondContact O-N 2.92Å; L68-L72 VanDerWaalsContact O-N 3.15Å
69	D	98.5	Very high	97.4	Very high	116 Å²	116	59.7 Å²	59.7	62%	0.62	30%	0.303	S	S	*	.	H	α-helix	trans	-56.7	-43.1	178.3	-170.9	64	0	0	0	112	P65 V67 M71 L72 P73	P65-D69 PolarHBondContact O-N 2.94Å; V67-D69 VanDerWaalsContact C-N 3.33Å; V67-D69 PolarHBondContact O-N 3.44Å; D69-M71 PolarHBondContact O-N 3.16Å; D69-L72 PolarHBondContact O-N 2.96Å; D69-P73 VanDerWaalsContact O-CD 3.31Å; D69-P73 WeakPolarHBondContact O-CD 3.28Å
70	A	98.6	Very high	97.6	Very high	23 Å²	23	59.1 Å²	59.1	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-28.6	175.8	0	0	0	0	0	113.4	R66 V67 L68 Y74 V296 A300	R66-A70 PolarHBondContact O-N 3Å; V67-A70 WeakPolarHBondContact O-CB 3.34Å; V67-A70 PolarHBondContact O-N 2.99Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.45Å; A70-Y74 WeakPolarHBondContact O-CD2 3.3Å; A70-Y74 WeakPolarHBondContact O-CE2 3.48Å; A70-V296 HydrophobicContact CB-CG1 4.17Å; A70-V296 VanDerWaalsContact O-CG1 3.27Å; A70-V296 WeakPolarHBondContact O-CG1 3.44Å; A70-A300 HydrophobicContact CB-CB 3.84Å
71	M	98.7	Very high	97.7	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-81.8	-34.5	-178.2	-64.7	175.2	62.3	0	0	113.4	M63 V67 L68 D69 P73 Y74 F75 P256 P293 L294	M63-M71 HydrophobicContact CE-CE 4.42Å; M63-M71 HydrophobicContact CE-SD 3.97Å; M63-M71 HydrophobicContact SD-SD 3.83Å; V67-M71 HydrophobicContact CG1-SD 3.95Å; V67-M71 VanDerWaalsContact O-CG 3.28Å; V67-M71 WeakPolarHBondContact O-CG 3.49Å; V67-M71 PolarHBondContact O-N 3.13Å; L68-M71 WeakPolarHBondContact O-CB 3.37Å; L68-M71 PolarHBondContact O-N 3.4Å; D69-M71 PolarHBondContact O-N 3.16Å; M71-P73 VanDerWaalsContact C-CD 3.45Å; M71-Y74 PolarHBondContact O-N 2.81Å; M71-Y74 VanDerWaalsContact O-N 3.1Å; M71-F75 HydrophobicContact CB-CE2 4.13Å; M71-F75 HydrophobicContact CE-CE2 3.97Å; M71-F75 HydrophobicContact CE-CZ 4.23Å; M71-F75 WeakPolarHBondContact O-CD2 3.4Å; M71-P256 HydrophobicContact CE-CB 3.82Å; M71-P256 HydrophobicContact CE-CG 3.9Å; M71-P256 HydrophobicContact SD-CB 4.06Å; M71-P256 HydrophobicContact SD-CG 3.87Å; M71-P293 WeakPolarHBondContact CG-O 3.41Å; M71-L294 HydrophobicContact CE-CD2 3.86Å
72	L	98.5	Very high	97.7	Very high	89 Å²	89	61 Å²	61	47%	0.466	31%	0.309	S	S	.	.	H	α-helix	trans	-54.8	-40.2	-170.1	-74.8	172	0	0	0	115.4	L68 D69 Y74 F75 T76	L68-L72 HydrophobicContact CD1-CD2 4.41Å; L68-L72 HydrophobicContact CD1-CG 4.42Å; L68-L72 HydrophobicContact CG-CG 4.49Å; L68-L72 WeakPolarHBondContact O-CG 3.43Å; L68-L72 PolarHBondContact O-N 2.92Å; L68-L72 VanDerWaalsContact O-N 3.15Å; D69-L72 PolarHBondContact O-N 2.96Å; L72-Y74 PolarHBondContact O-N 3.1Å; L72-F75 PolarHBondContact O-N 3.25Å; L72-T76 PolarHBondContact O-OG1 2.8Å
73	P	98.3	Very high	97.7	Very high	25 Å²	25	60.9 Å²	60.9	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-37.5	177.1	-29.2	37.7	0	0	0	113.7	D69 M71 F75 T76 Y77 Q78	D69-P73 VanDerWaalsContact O-CD 3.31Å; D69-P73 WeakPolarHBondContact O-CD 3.28Å; M71-P73 VanDerWaalsContact C-CD 3.45Å; P73-F75 VanDerWaalsContact C-N 3.3Å; P73-F75 PolarHBondContact O-N 2.92Å; P73-T76 PolarHBondContact O-N 3.28Å; P73-T76 PolarHBondContact O-OG1 3.1Å; P73-Y77 HydrophobicContact CB-CE1 4.14Å; P73-Y77 HydrophobicContact CB-CE2 4.2Å; P73-Y77 PolarHBondContact O-N 2.83Å; P73-Y77 VanDerWaalsContact O-N 3.1Å; P73-Q78 PolarHBondContact O-N 3.17Å
74	Y	98.3	Very high	97.6	Very high	42 Å²	42	59.2 Å²	59.2	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-79.4	-12.7	-173.3	-58.8	-82.3	0	0	0	113.6	A70 M71 L72 Q78 A96 T292 V296	A70-Y74 WeakPolarHBondContact O-CD2 3.3Å; A70-Y74 WeakPolarHBondContact O-CE2 3.48Å; M71-Y74 PolarHBondContact O-N 2.81Å; M71-Y74 VanDerWaalsContact O-N 3.1Å; L72-Y74 PolarHBondContact O-N 3.1Å; Y74-Q78 WeakPolarHBondContact CA-O 3.38Å; Y74-Q78 HydrophobicContact CD1-CB 3.75Å; Y74-Q78 WeakPolarHBondContact CD1-O 3.5Å; Y74-Q78 HydrophobicContact CE1-CB 4.04Å; Y74-Q78 VanDerWaalsContact CE1-OE1 3.32Å; Y74-Q78 HydrophobicContact CG-CB 4.42Å; Y74-A96 HydrophobicContact CD1-CB 4.35Å; Y74-A96 HydrophobicContact CE1-CB 3.35Å; Y74-A96 VanDerWaalsContact OH-CB 3.28Å; Y74-A96 WeakPolarHBondContact OH-CB 3.49Å; Y74-T292 HydrophobicContact CD1-CG2 3.51Å; Y74-T292 HydrophobicContact CE1-CG2 4.04Å; Y74-T292 HydrophobicContact CG-CG2 4.09Å; Y74-V296 HydrophobicContact CD1-CG2 4.46Å; Y74-V296 HydrophobicContact CD2-CB 4.13Å; Y74-V296 HydrophobicContact CD2-CG1 3.96Å; Y74-V296 HydrophobicContact CD2-CG2 3.95Å; Y74-V296 HydrophobicContact CE1-CG2 4.24Å; Y74-V296 HydrophobicContact CE2-CB 4.09Å; Y74-V296 HydrophobicContact CE2-CG1 3.62Å; Y74-V296 HydrophobicContact CE2-CG2 3.73Å; Y74-V296 HydrophobicContact CG-CG2 4.32Å
75	F	97.4	Very high	97.4	Very high	121 Å²	121	66.4 Å²	66.4	53%	0.531	33%	0.326	S	S	.	.	H	α-helix	trans	-85.5	-16.4	169.4	-73.9	-69.4	0	0	0	113.4	M71 L72 P73 P293	M71-F75 HydrophobicContact CB-CE2 4.13Å; M71-F75 HydrophobicContact CE-CE2 3.97Å; M71-F75 HydrophobicContact CE-CZ 4.23Å; M71-F75 WeakPolarHBondContact O-CD2 3.4Å; L72-F75 PolarHBondContact O-N 3.25Å; P73-F75 VanDerWaalsContact C-N 3.3Å; P73-F75 PolarHBondContact O-N 2.92Å; F75-P293 HydrophobicContact CD1-CB 4.23Å; F75-P293 HydrophobicContact CD1-CG 4.07Å; F75-P293 HydrophobicContact CD2-CB 3.96Å; F75-P293 HydrophobicContact CE1-CB 3.82Å; F75-P293 HydrophobicContact CE1-CG 3.93Å; F75-P293 HydrophobicContact CE2-CB 3.54Å; F75-P293 HydrophobicContact CE2-CG 4.39Å; F75-P293 HydrophobicContact CG-CB 4.3Å; F75-P293 HydrophobicContact CG-CG 4.36Å; F75-P293 HydrophobicContact CZ-CB 3.46Å; F75-P293 VanDerWaalsContact CZ-CB 3.46Å; F75-P293 HydrophobicContact CZ-CG 4.11Å
76	T	95.7	Very high	97.3	Very high	77 Å²	77	68.1 Å²	68.1	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-120.1	-69.9	-165.9	52.7	0	0	0	0	112.8	L72 P73 F79	L72-T76 PolarHBondContact O-OG1 2.8Å; P73-T76 PolarHBondContact O-N 3.28Å; P73-T76 PolarHBondContact O-OG1 3.1Å; T76-F79 WeakPolarHBondContact O-CD1 3.02Å
77	Y	95.1	Very high	97.2	Very high	125 Å²	125	66.3 Å²	66.3	49%	0.49	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-15.4	-173.4	59	-90.6	0	0	0	114	P73	P73-Y77 HydrophobicContact CB-CE1 4.14Å; P73-Y77 HydrophobicContact CB-CE2 4.2Å; P73-Y77 PolarHBondContact O-N 2.83Å; P73-Y77 VanDerWaalsContact O-N 3.1Å
78	Q	95.2	Very high	97.1	Very high	48 Å²	48	69.9 Å²	69.9	22%	0.224	35%	0.352	C	S	.	.			trans	-107.6	50.1	171.5	-68.8	-177.8	-24.6	0	0	111.6	P73 Y74 G80	P73-Q78 PolarHBondContact O-N 3.17Å; Y74-Q78 WeakPolarHBondContact CA-O 3.38Å; Y74-Q78 HydrophobicContact CD1-CB 3.75Å; Y74-Q78 WeakPolarHBondContact CD1-O 3.5Å; Y74-Q78 HydrophobicContact CE1-CB 4.04Å; Y74-Q78 VanDerWaalsContact CE1-OE1 3.32Å; Y74-Q78 HydrophobicContact CG-CB 4.42Å; Q78-G80 VanDerWaalsContact C-N 3.34Å; Q78-G80 PolarHBondContact O-N 3.03Å
79	F	96.5	Very high	97	Very high	125 Å²	125	71.8 Å²	71.8	55%	0.548	36%	0.355	S	S	.	.			trans	-87.2	7.9	-170.2	61.7	-93.4	0	0	0	114.9	T76 Y89	T76-F79 WeakPolarHBondContact O-CD1 3.02Å; F79-Y89 HydrophobicContact CE1-CD1 4.46Å; F79-Y89 HydrophobicContact CE1-CE1 4.28Å; F79-Y89 HydrophobicContact CZ-CD1 4.39Å; F79-Y89 HydrophobicContact CZ-CE1 4.31Å
80	G	97.4	Very high	97	Very high	8 Å²	8	66.2 Å²	66.2	8%	0.082	33%	0.325	C	S	.	.			trans	-63.2	152.4	-171.5	0	0	0	0	0	113.3	Q78 Y89 S93	Q78-G80 VanDerWaalsContact C-N 3.34Å; Q78-G80 PolarHBondContact O-N 3.03Å; G80-Y89 WeakPolarHBondContact CA-O 3.28Å; G80-S93 VanDerWaalsContact C-OG 3.31Å; G80-S93 WeakPolarHBondContact CA-OG 3.4Å; G80-S93 PolarHBondContact N-OG 2.65Å; G80-S93 WeakPolarHBondContact O-CB 3.29Å; G80-S93 PolarHBondContact O-OG 3.37Å
81	N	97.7	Very high	97	Very high	61 Å²	61	71.5 Å²	71.5	33%	0.326	34%	0.34	S	S	.	.			trans	-74.7	123.4	169.5	-175.2	-26.3	0	0	0	108.9	H83 S84 G90	N81-H83 PolarHBondContact O-N 3.33Å; N81-H83 WeakPolarHBondContact OD1-CB 3.44Å; N81-H83 PolarHBondContact OD1-CD2 3.46Å; N81-H83 PolarHBondContact OD1-N 3.44Å; N81-S84 WeakPolarHBondContact O-CB 3.37Å; N81-S84 PolarHBondContact O-N 2.93Å; N81-G90 VanDerWaalsContact O-CA 3.31Å; N81-G90 WeakPolarHBondContact O-CA 3.46Å
82	P	97.4	Very high	96.9	Very high	6 Å²	6	75 Å²	75	4%	0.039	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.8	-179	27.5	-35.8	0	0	0	113.1	E94 V97 V290 T292	P82-E94 HydrophobicContact CB-CB 4.42Å; P82-V97 HydrophobicContact CB-CG2 4.03Å; P82-V97 HydrophobicContact CG-CG2 4.22Å; P82-V290 HydrophobicContact CG-CB 4.05Å; P82-T292 WeakPolarHBondContact CD-OG1 3.09Å; P82-T292 WeakPolarHBondContact CG-OG1 3.42Å
83	H	96.8	Very high	96.9	Very high	56 Å²	56	70.7 Å²	70.7	26%	0.259	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.5	176	-53.8	-55.8	0	0	0	113.3	N81 R85 Q281 V290	N81-H83 PolarHBondContact O-N 3.33Å; N81-H83 WeakPolarHBondContact OD1-CB 3.44Å; N81-H83 PolarHBondContact OD1-CD2 3.46Å; N81-H83 PolarHBondContact OD1-N 3.44Å; H83-R85 PolarHBondContact O-N 3.41Å; H83-Q281 VanDerWaalsContact CE1-CG 3.4Å; H83-Q281 WeakPolarHBondContact CE1-CG 3.39Å; H83-Q281 WeakPolarHBondContact NE2-CG 3.43Å; H83-V290 PolarHBondContact NE2-N 2.99Å
84	S	96	Very high	96.9	Very high	34 Å²	34	71.8 Å²	71.8	24%	0.238	34%	0.337	C	S	.	.			trans	-75.7	105.9	176.5	-72.7	0	0	0	0	111.4	N81 H87 G90	N81-S84 WeakPolarHBondContact O-CB 3.37Å; N81-S84 PolarHBondContact O-N 2.93Å; S84-H87 VanDerWaalsContact CB-CE1 3.48Å; S84-H87 WeakPolarHBondContact CB-CE1 3.46Å; S84-H87 VanDerWaalsContact CB-NE2 3.29Å; S84-H87 WeakPolarHBondContact CB-NE2 3.34Å; S84-H87 PolarHBondContact OG-NE2 2.8Å; S84-G90 WeakPolarHBondContact O-CA 3.46Å
85	R	95.2	Very high	96.9	Very high	153 Å²	153	72.8 Å²	72.8	58%	0.577	35%	0.354	S	S	*	.			trans	-85.4	-9.9	-172.8	-61.6	-63.6	-178.4	169.4	-13.8	115.7	H83 W91 E94	H83-R85 PolarHBondContact O-N 3.41Å; R85-W91 PolarHBondContact O-NE1 3.12Å; R85-E94 IonicContact CZ-OE1 3.47Å; R85-E94 IonicContact CZ-OE2 2.65Å; R85-E94 IonicContact NH1-OE1 3.19Å; R85-E94 PolarHBondContact NH1-OE1 2.94Å; R85-E94 IonicContact NH1-OE2 3.54Å; R85-E94 PolarHBondContact NH1-OE2 3.43Å; R85-E94 IonicContact NH2-OE1 2.92Å; R85-E94 PolarHBondContact NH2-OE1 3.28Å
86	T	96.4	Very high	96.9	Very high	126 Å²	126	67.4 Å²	67.4	77%	0.773	33%	0.332	S	S	*	.	S	Bend	trans	-106.9	-4.1	-164.8	54.8	0	0	0	0	115.1
87	H	95.9	Very high	97.1	Very high	70 Å²	70	64 Å²	64	32%	0.324	31%	0.311	S	S	.	.	S	Bend	trans	-148.4	157.2	-174.9	62.4	67.3	0	0	0	113	S84 Y89 G90 W91	S84-H87 VanDerWaalsContact CB-CE1 3.48Å; S84-H87 WeakPolarHBondContact CB-CE1 3.46Å; S84-H87 VanDerWaalsContact CB-NE2 3.29Å; S84-H87 WeakPolarHBondContact CB-NE2 3.34Å; S84-H87 PolarHBondContact OG-NE2 2.8Å; H87-Y89 VanDerWaalsContact C-N 3.32Å; H87-Y89 PolarHBondContact ND1-N 2.92Å; H87-Y89 PolarHBondContact O-N 2.74Å; H87-G90 PolarHBondContact CE1-N 3.37Å; H87-G90 PolarHBondContact ND1-N 3.4Å; H87-G90 PolarHBondContact O-N 2.8Å; H87-W91 PolarHBondContact O-N 2.8Å
88	T	96.6	Very high	97.2	Very high	75 Å²	75	61.4 Å²	61.4	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-53.4	-42.3	-174.4	-48.1	0	0	0	0	113.8	G90 W91 E92	T88-G90 PolarHBondContact O-N 3.13Å; T88-W91 PolarHBondContact O-N 3.5Å; T88-W91 VanDerWaalsContact O-N 3.1Å; T88-E92 HydrophobicContact CG2-CG 4.13Å; T88-E92 WeakPolarHBondContact CG2-OE1 3.44Å; T88-E92 WeakPolarHBondContact O-CG 3.38Å; T88-E92 PolarHBondContact O-N 2.96Å
89	Y	97.6	Very high	97.4	Very high	122 Å²	122	61.7 Å²	61.7	48%	0.478	31%	0.314	S	S	.	.	H	α-helix	trans	-58.2	-33.9	179.2	-59.2	-84	0	0	0	113.4	F79 G80 H87 S93	F79-Y89 HydrophobicContact CE1-CD1 4.46Å; F79-Y89 HydrophobicContact CE1-CE1 4.28Å; F79-Y89 HydrophobicContact CZ-CD1 4.39Å; F79-Y89 HydrophobicContact CZ-CE1 4.31Å; G80-Y89 WeakPolarHBondContact CA-O 3.28Å; H87-Y89 VanDerWaalsContact C-N 3.32Å; H87-Y89 PolarHBondContact ND1-N 2.92Å; H87-Y89 PolarHBondContact O-N 2.74Å; Y89-S93 PolarHBondContact O-N 3.16Å; Y89-S93 PolarHBondContact O-OG 3.33Å
90	G	97.6	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-76.3	-39.6	177.5	0	0	0	0	0	111.8	N81 S84 H87 T88 S93 E94	N81-G90 VanDerWaalsContact O-CA 3.31Å; N81-G90 WeakPolarHBondContact O-CA 3.46Å; S84-G90 WeakPolarHBondContact O-CA 3.46Å; H87-G90 PolarHBondContact CE1-N 3.37Å; H87-G90 PolarHBondContact ND1-N 3.4Å; H87-G90 PolarHBondContact O-N 2.8Å; T88-G90 PolarHBondContact O-N 3.13Å; G90-S93 PolarHBondContact O-N 3.3Å; G90-E94 WeakPolarHBondContact O-CB 3.23Å; G90-E94 PolarHBondContact O-N 3.48Å
91	W	98	Very high	97.6	Very high	133 Å²	133	55.9 Å²	55.9	50%	0.504	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-40.5	176.1	-54.8	-24.5	0	0	0	112.7	R85 H87 T88 E94 A95	R85-W91 PolarHBondContact O-NE1 3.12Å; H87-W91 PolarHBondContact O-N 2.8Å; T88-W91 PolarHBondContact O-N 3.5Å; T88-W91 VanDerWaalsContact O-N 3.1Å; W91-E94 PolarHBondContact O-N 3.07Å; W91-A95 WeakPolarHBondContact O-CB 3.21Å; W91-A95 PolarHBondContact O-N 2.9Å
92	E	97.3	Very high	97.6	Very high	78 Å²	78	57.9 Å²	57.9	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-46.3	175.3	-73	176.4	-178.7	0	0	111.3	T88 A95 A96	T88-E92 HydrophobicContact CG2-CG 4.13Å; T88-E92 WeakPolarHBondContact CG2-OE1 3.44Å; T88-E92 WeakPolarHBondContact O-CG 3.38Å; T88-E92 PolarHBondContact O-N 2.96Å; E92-A95 PolarHBondContact O-N 3.03Å; E92-A96 PolarHBondContact O-N 3.08Å; E92-A96 VanDerWaalsContact O-N 3.1Å
93	S	97.9	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-38.4	176.5	-72.3	0	0	0	0	113	G80 Y89 G90 A96 V97	G80-S93 VanDerWaalsContact C-OG 3.31Å; G80-S93 WeakPolarHBondContact CA-OG 3.4Å; G80-S93 PolarHBondContact N-OG 2.65Å; G80-S93 WeakPolarHBondContact O-CB 3.29Å; G80-S93 PolarHBondContact O-OG 3.37Å; Y89-S93 PolarHBondContact O-N 3.16Å; Y89-S93 PolarHBondContact O-OG 3.33Å; G90-S93 PolarHBondContact O-N 3.3Å; S93-A96 PolarHBondContact O-N 2.9Å; S93-V97 WeakPolarHBondContact O-CG2 3.24Å; S93-V97 PolarHBondContact O-N 3.38Å
94	E	98.2	Very high	97.8	Very high	47 Å²	47	56 Å²	56	22%	0.22	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-47	175.2	180	171.9	-150.4	0	0	111.1	P82 R85 G90 W91 A96 V97 E98	P82-E94 HydrophobicContact CB-CB 4.42Å; R85-E94 IonicContact CZ-OE1 3.47Å; R85-E94 IonicContact CZ-OE2 2.65Å; R85-E94 IonicContact NH1-OE1 3.19Å; R85-E94 PolarHBondContact NH1-OE1 2.94Å; R85-E94 IonicContact NH1-OE2 3.54Å; R85-E94 PolarHBondContact NH1-OE2 3.43Å; R85-E94 IonicContact NH2-OE1 2.92Å; R85-E94 PolarHBondContact NH2-OE1 3.28Å; G90-E94 WeakPolarHBondContact O-CB 3.23Å; G90-E94 PolarHBondContact O-N 3.48Å; W91-E94 PolarHBondContact O-N 3.07Å; E94-A96 VanDerWaalsContact C-N 3.26Å; E94-A96 PolarHBondContact O-N 3.2Å; E94-V97 PolarHBondContact O-N 3.18Å; E94-E98 PolarHBondContact O-N 3.2Å
95	A	98.4	Very high	97.9	Very high	63 Å²	63	54.4 Å²	54.4	52%	0.521	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-40.3	177.8	0	0	0	0	0	111.7	W91 E92 E98 A99	W91-A95 WeakPolarHBondContact O-CB 3.21Å; W91-A95 PolarHBondContact O-N 2.9Å; E92-A95 PolarHBondContact O-N 3.03Å; A95-E98 PolarHBondContact O-N 3.2Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 2.97Å
96	A	98.5	Very high	98	Very high	9 Å²	9	50.2 Å²	50.2	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-41.9	176.3	0	0	0	0	0	112.9	Y74 E92 S93 E94 A99 A100 T292 V296	Y74-A96 HydrophobicContact CD1-CB 4.35Å; Y74-A96 HydrophobicContact CE1-CB 3.35Å; Y74-A96 VanDerWaalsContact OH-CB 3.28Å; Y74-A96 WeakPolarHBondContact OH-CB 3.49Å; E92-A96 PolarHBondContact O-N 3.08Å; E92-A96 VanDerWaalsContact O-N 3.1Å; S93-A96 PolarHBondContact O-N 2.9Å; E94-A96 VanDerWaalsContact C-N 3.26Å; E94-A96 PolarHBondContact O-N 3.2Å; A96-A99 PolarHBondContact O-N 2.72Å; A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.21Å; A96-T292 HydrophobicContact CB-CG2 4.25Å; A96-V296 HydrophobicContact CB-CG2 3.78Å
97	V	98.6	Very high	98.1	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-44.7	175.3	166.2	0	0	0	0	111.1	P82 S93 E94 A100 R101 F117 V290 T292 V295	P82-V97 HydrophobicContact CB-CG2 4.03Å; P82-V97 HydrophobicContact CG-CG2 4.22Å; S93-V97 WeakPolarHBondContact O-CG2 3.24Å; S93-V97 PolarHBondContact O-N 3.38Å; E94-V97 PolarHBondContact O-N 3.18Å; V97-A100 PolarHBondContact O-N 2.75Å; V97-R101 WeakPolarHBondContact O-CB 3.49Å; V97-R101 PolarHBondContact O-N 3.2Å; V97-F117 HydrophobicContact CG1-CD2 4.34Å; V97-F117 HydrophobicContact CG1-CE2 3.86Å; V97-V290 HydrophobicContact CG1-CG1 3.95Å; V97-V290 HydrophobicContact CG2-CG1 3.9Å; V97-T292 HydrophobicContact CG2-CG2 4.21Å; V97-V295 HydrophobicContact CB-CG1 4.42Å; V97-V295 HydrophobicContact CG1-CG1 4.31Å; V97-V295 HydrophobicContact CG2-CG1 4.23Å
98	E	98.5	Very high	98.3	Very high	72 Å²	72	41.4 Å²	41.4	34%	0.336	21%	0.213	S	C	.	.	H	α-helix	trans	-71.1	-32.6	-179.9	-67.4	-56.4	118.6	0	0	112.7	E94 A95 R101 K102	E94-E98 PolarHBondContact O-N 3.2Å; A95-E98 PolarHBondContact O-N 3.2Å; E98-R101 WeakPolarHBondContact O-CB 3.34Å; E98-R101 PolarHBondContact O-N 3.32Å; E98-R101 IonicContact OE1-CZ 3.77Å; E98-R101 IonicContact OE1-NE 3.76Å; E98-R101 PolarHBondContact OE1-NE 3.35Å; E98-R101 IonicContact OE1-NH2 2.78Å; E98-R101 PolarHBondContact OE1-NH2 2.96Å; E98-R101 VanDerWaalsContact OE1-NH2 3.16Å; E98-R101 IonicContact OE2-NE 3.27Å; E98-R101 PolarHBondContact OE2-NE 2.99Å; E98-K102 PolarHBondContact O-N 3.2Å
99	A	98.6	Very high	98.3	Very high	54 Å²	54	39 Å²	39	45%	0.446	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-47.6	170.9	0	0	0	0	0	111.5	A95 A96 R101 K102 D103	A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 2.97Å; A96-A99 PolarHBondContact O-N 2.72Å; A99-R101 VanDerWaalsContact C-N 3.3Å; A99-R101 PolarHBondContact O-N 3.32Å; A99-K102 WeakPolarHBondContact O-CB 3.16Å; A99-K102 PolarHBondContact O-N 2.86Å; A99-K102 VanDerWaalsContact O-N 3.13Å; A99-D103 PolarHBondContact O-N 3.46Å
100	A	98.7	Very high	98.4	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-37.1	176	0	0	0	0	0	112.6	A96 V97 K102 D103 L104 V295	A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.21Å; V97-A100 PolarHBondContact O-N 2.75Å; A100-K102 VanDerWaalsContact C-N 3.28Å; A100-K102 PolarHBondContact O-N 3.2Å; A100-D103 PolarHBondContact O-N 3.31Å; A100-L104 PolarHBondContact O-N 3.31Å; A100-L104 VanDerWaalsContact O-N 3.09Å; A100-V295 HydrophobicContact CB-CG1 3.6Å; A100-V295 VanDerWaalsContact CB-O 3.26Å; A100-V295 WeakPolarHBondContact CB-O 3.17Å
101	R	98.8	Very high	98.4	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-39.7	174.1	-164.7	-174	-58.5	-79.9	0.7	111.4	V97 E98 A99 A105 P112 I115 F117 E282	V97-R101 WeakPolarHBondContact O-CB 3.49Å; V97-R101 PolarHBondContact O-N 3.2Å; E98-R101 WeakPolarHBondContact O-CB 3.34Å; E98-R101 PolarHBondContact O-N 3.32Å; E98-R101 IonicContact OE1-CZ 3.77Å; E98-R101 IonicContact OE1-NE 3.76Å; E98-R101 PolarHBondContact OE1-NE 3.35Å; E98-R101 IonicContact OE1-NH2 2.78Å; E98-R101 PolarHBondContact OE1-NH2 2.96Å; E98-R101 VanDerWaalsContact OE1-NH2 3.16Å; E98-R101 IonicContact OE2-NE 3.27Å; E98-R101 PolarHBondContact OE2-NE 2.99Å; A99-R101 VanDerWaalsContact C-N 3.3Å; A99-R101 PolarHBondContact O-N 3.32Å; R101-A105 WeakPolarHBondContact O-CB 3.26Å; R101-A105 PolarHBondContact O-N 3.36Å; R101-P112 WeakPolarHBondContact CD-O 3.37Å; R101-P112 HydrophobicContact CG-CB 4.27Å; R101-P112 WeakPolarHBondContact CG-O 3.47Å; R101-I115 HydrophobicContact CG-CB 3.72Å; R101-I115 HydrophobicContact CG-CG1 4.4Å; R101-I115 HydrophobicContact CG-CG2 3.84Å; R101-I115 PolarHBondContact NH1-O 3.14Å; R101-F117 HydrophobicContact CB-CE2 3.97Å; R101-F117 HydrophobicContact CB-CZ 3.9Å; R101-F117 HydrophobicContact CG-CE2 4.19Å; R101-F117 HydrophobicContact CG-CZ 4.27Å; R101-F117 VanDerWaalsContact CZ-CE2 3.49Å; R101-E282 IonicContact CZ-OE1 3.16Å; R101-E282 IonicContact CZ-OE2 2.85Å; R101-E282 IonicContact NH1-OE1 3.07Å; R101-E282 IonicContact NH1-OE2 3.68Å; R101-E282 PolarHBondContact NH1-OE2 2.87Å; R101-E282 IonicContact NH2-OE1 2.86Å; R101-E282 PolarHBondContact NH2-OE1 3.44Å; R101-E282 IonicContact NH2-OE2 3.22Å; R101-E282 PolarHBondContact NH2-OE2 3.09Å
102	K	98.7	Very high	98.4	Very high	104 Å²	104	31.6 Å²	31.6	45%	0.452	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-46.4	174.6	-168.9	-166.4	-179.9	-54	0	111.6	E98 A99 A100 L104 A105 D106 P112	E98-K102 PolarHBondContact O-N 3.2Å; A99-K102 WeakPolarHBondContact O-CB 3.16Å; A99-K102 PolarHBondContact O-N 2.86Å; A99-K102 VanDerWaalsContact O-N 3.13Å; A100-K102 VanDerWaalsContact C-N 3.28Å; A100-K102 PolarHBondContact O-N 3.2Å; K102-L104 VanDerWaalsContact C-N 3.31Å; K102-L104 PolarHBondContact O-N 3.33Å; K102-A105 PolarHBondContact O-N 3.34Å; K102-A105 VanDerWaalsContact O-N 3.13Å; K102-D106 IonicContact NZ-OD1 3.42Å; K102-D106 PolarHBondContact NZ-OD1 3.43Å; K102-D106 IonicContact NZ-OD2 3.71Å; K102-D106 PolarHBondContact NZ-OD2 2.93Å; K102-D106 WeakPolarHBondContact O-CB 3.15Å; K102-D106 PolarHBondContact O-N 2.86Å; K102-P112 HydrophobicContact CB-CG 4.35Å; K102-P112 HydrophobicContact CG-CG 4.26Å
103	D	98.7	Very high	98.4	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.118	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-42.5	178.9	-80.5	-35	0	0	0	112.3	A99 A100 L107 G299 C302 R303 R306	A99-D103 PolarHBondContact O-N 3.46Å; A100-D103 PolarHBondContact O-N 3.31Å; D103-L107 PolarHBondContact O-N 3Å; D103-L107 VanDerWaalsContact O-N 3.13Å; D103-G299 WeakPolarHBondContact CB-O 3.46Å; D103-C302 HydrophobicContact CB-CB 4.49Å; D103-R303 HydrophobicContact CB-CB 4.41Å; D103-R303 IonicContact OD2-CZ 2.66Å; D103-R303 IonicContact OD2-NH1 3.91Å; D103-R303 PolarHBondContact OD2-NH1 3.28Å; D103-R306 IonicContact OD1-NH1 3.12Å
104	L	98.6	Very high	98.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-43.5	175	-173.2	99.6	0	0	0	111.7	A100 K102 L107 V108 I115 I248 A261 F298 C302	A100-L104 PolarHBondContact O-N 3.31Å; A100-L104 VanDerWaalsContact O-N 3.09Å; K102-L104 VanDerWaalsContact C-N 3.31Å; K102-L104 PolarHBondContact O-N 3.33Å; L104-L107 PolarHBondContact O-N 2.93Å; L104-V108 PolarHBondContact O-N 2.75Å; L104-I115 HydrophobicContact CD2-CB 4.16Å; L104-I115 HydrophobicContact CD2-CD1 3.73Å; L104-I115 HydrophobicContact CD2-CG1 3.89Å; L104-I115 HydrophobicContact CD2-CG2 3.22Å; L104-I248 HydrophobicContact CD1-CD1 4.14Å; L104-I248 HydrophobicContact CD1-CG2 4.1Å; L104-I248 HydrophobicContact CD2-CD1 4.19Å; L104-I248 HydrophobicContact CG-CD1 4.23Å; L104-A261 HydrophobicContact CD1-CB 4.42Å; L104-A261 HydrophobicContact CD2-CB 3.45Å; L104-A261 VanDerWaalsContact CD2-CB 3.45Å; L104-F298 HydrophobicContact CD1-CD1 4.22Å; L104-F298 HydrophobicContact CD1-CD2 4.33Å; L104-F298 HydrophobicContact CD1-CE1 3.55Å; L104-F298 HydrophobicContact CD1-CE2 3.68Å; L104-F298 HydrophobicContact CD1-CZ 3.26Å; L104-C302 WeakPolarHBondContact CD1-SG 3.08Å
105	A	98.6	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-43.9	178.7	0	0	0	0	0	112	R101 K102 L107 V108 G109 A110 P112 I115	R101-A105 WeakPolarHBondContact O-CB 3.26Å; R101-A105 PolarHBondContact O-N 3.36Å; K102-A105 PolarHBondContact O-N 3.34Å; K102-A105 VanDerWaalsContact O-N 3.13Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 3.13Å; A105-V108 PolarHBondContact O-N 3.3Å; A105-G109 PolarHBondContact O-N 3.13Å; A105-A110 HydrophobicContact CB-CB 4.37Å; A105-A110 PolarHBondContact O-N 3Å; A105-P112 HydrophobicContact CB-CB 4.36Å; A105-P112 HydrophobicContact CB-CG 4.05Å; A105-I115 HydrophobicContact CB-CD1 4.48Å; A105-I115 HydrophobicContact CB-CG1 3.9Å
106	D	98.5	Very high	98.5	Very high	64 Å²	64	29.9 Å²	29.9	34%	0.342	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-41.2	176.7	-67.3	-18.5	0	0	0	111.1	K102 V108 G109 R306	K102-D106 IonicContact NZ-OD1 3.42Å; K102-D106 PolarHBondContact NZ-OD1 3.43Å; K102-D106 IonicContact NZ-OD2 3.71Å; K102-D106 PolarHBondContact NZ-OD2 2.93Å; K102-D106 WeakPolarHBondContact O-CB 3.15Å; K102-D106 PolarHBondContact O-N 2.86Å; D106-V108 VanDerWaalsContact C-N 3.27Å; D106-V108 PolarHBondContact O-N 3.35Å; D106-G109 PolarHBondContact O-N 2.82Å; D106-R306 IonicContact OD2-NH1 2.8Å
107	L	98.5	Very high	98.5	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-35	179.5	176.5	64.2	0	0	0	112.9	D103 L104 A105 V231 C302 R306 M309	D103-L107 PolarHBondContact O-N 3Å; D103-L107 VanDerWaalsContact O-N 3.13Å; L104-L107 PolarHBondContact O-N 2.93Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 3.13Å; L107-V231 HydrophobicContact CD2-CG1 3.52Å; L107-V231 HydrophobicContact CG-CG1 4.17Å; L107-C302 HydrophobicContact CB-CB 4.31Å; L107-C302 HydrophobicContact CD2-CB 3.76Å; L107-R306 HydrophobicContact CD1-CB 3.87Å; L107-M309 HydrophobicContact CD1-CE 3.7Å
108	V	98.5	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-106.8	7.4	-177.8	-56.1	0	0	0	0	113.7	L104 A105 D106 A110 V231 M236 N237 V238 M246 I248	L104-V108 PolarHBondContact O-N 2.75Å; A105-V108 PolarHBondContact O-N 3.3Å; D106-V108 VanDerWaalsContact C-N 3.27Å; D106-V108 PolarHBondContact O-N 3.35Å; V108-A110 HydrophobicContact CG2-CB 3.82Å; V108-A110 PolarHBondContact O-N 3.28Å; V108-V231 HydrophobicContact CG1-CG1 3.97Å; V108-V231 HydrophobicContact CG1-CG2 4.08Å; V108-M236 CarbonylContact C-O 3.47Å; V108-M236 VanDerWaalsContact CA-O 3.31Å; V108-M236 WeakPolarHBondContact CA-O 3.36Å; V108-M236 HydrophobicContact CG1-CB 4.41Å; V108-N237 CarbonylContact O-C 3.6Å; V108-N237 WeakPolarHBondContact O-CA 3.48Å; V108-V238 HydrophobicContact CB-CG1 4.18Å; V108-V238 HydrophobicContact CG2-CG1 4.13Å; V108-V238 PolarHBondContact O-N 2.88Å; V108-M246 HydrophobicContact CG1-SD 4.28Å; V108-I248 HydrophobicContact CG1-CD1 3.94Å
109	G	98	Very high	98.5	Very high	24 Å²	24	29.2 Å²	29.2	25%	0.247	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	32.9	-178.7	0	0	0	0	0	114.6	A105 D106 N239	A105-G109 PolarHBondContact O-N 3.13Å; D106-G109 PolarHBondContact O-N 2.82Å; G109-N239 PolarHBondContact O-ND2 3.35Å
110	A	98.4	Very high	98.5	Very high	15 Å²	15	27 Å²	27	12%	0.124	15%	0.146	C	C	.	.			trans	-101.8	169.8	179.5	0	0	0	0	0	112.6	A105 V108 I115 V238 Y263	A105-A110 HydrophobicContact CB-CB 4.37Å; A105-A110 PolarHBondContact O-N 3Å; V108-A110 HydrophobicContact CG2-CB 3.82Å; V108-A110 PolarHBondContact O-N 3.28Å; A110-I115 HydrophobicContact CB-CD1 4.27Å; A110-V238 HydrophobicContact CB-CG2 3.85Å; A110-Y263 HydrophobicContact CB-CD2 3.69Å; A110-Y263 HydrophobicContact CB-CE2 3.75Å
111	D	98.2	Very high	98.5	Very high	48 Å²	48	27.3 Å²	27.3	26%	0.257	15%	0.148	S	C	.	.			trans	-84.1	139.8	163.8	-175.9	-69.9	0	0	0	110	R113 E114	D111-R113 PolarHBondContact O-N 3.43Å; D111-R113 WeakPolarHBondContact OD1-CB 3.25Å; D111-R113 VanDerWaalsContact OD1-CG 3.25Å; D111-R113 WeakPolarHBondContact OD1-CG 3.39Å; D111-R113 IonicContact OD1-CZ 3.68Å; D111-R113 PolarHBondContact OD1-N 3.03Å; D111-R113 IonicContact OD1-NE 2.81Å; D111-R113 PolarHBondContact OD1-NE 2.89Å; D111-R113 IonicContact OD1-NH2 3.4Å; D111-R113 IonicContact OD2-CZ 3.38Å; D111-R113 IonicContact OD2-NE 3.3Å; D111-R113 PolarHBondContact OD2-NE 3.02Å; D111-R113 IonicContact OD2-NH2 3.56Å; D111-R113 PolarHBondContact OD2-NH2 3.38Å; D111-E114 HydrophobicContact CB-CG 4.07Å; D111-E114 WeakPolarHBondContact CB-OE2 3.42Å; D111-E114 PolarHBondContact N-OE2 3.09Å; D111-E114 VanDerWaalsContact O-CB 3.28Å; D111-E114 WeakPolarHBondContact O-CB 3.45Å; D111-E114 PolarHBondContact O-N 2.85Å
112	P	98.4	Very high	98.5	Very high	37 Å²	37	31 Å²	31	24%	0.24	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-53.7	-29.9	178.7	-26.7	34.1	0	0	0	113.6	R101 K102 A105 E114 I115	R101-P112 WeakPolarHBondContact CD-O 3.37Å; R101-P112 HydrophobicContact CG-CB 4.27Å; R101-P112 WeakPolarHBondContact CG-O 3.47Å; K102-P112 HydrophobicContact CB-CG 4.35Å; K102-P112 HydrophobicContact CG-CG 4.26Å; A105-P112 HydrophobicContact CB-CB 4.36Å; A105-P112 HydrophobicContact CB-CG 4.05Å; P112-E114 PolarHBondContact O-N 3.33Å; P112-I115 WeakPolarHBondContact O-CB 3.48Å; P112-I115 PolarHBondContact O-N 3.46Å; P112-I115 VanDerWaalsContact O-N 3.16Å
113	R	98	Very high	98.5	Very high	133 Å²	133	27.2 Å²	27.2	50%	0.502	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-74	-8.4	179.8	-54.7	166.3	-62.5	-178.6	-5.2	113.2	D111 R266	D111-R113 PolarHBondContact O-N 3.43Å; D111-R113 WeakPolarHBondContact OD1-CB 3.25Å; D111-R113 VanDerWaalsContact OD1-CG 3.25Å; D111-R113 WeakPolarHBondContact OD1-CG 3.39Å; D111-R113 IonicContact OD1-CZ 3.68Å; D111-R113 PolarHBondContact OD1-N 3.03Å; D111-R113 IonicContact OD1-NE 2.81Å; D111-R113 PolarHBondContact OD1-NE 2.89Å; D111-R113 IonicContact OD1-NH2 3.4Å; D111-R113 IonicContact OD2-CZ 3.38Å; D111-R113 IonicContact OD2-NE 3.3Å; D111-R113 PolarHBondContact OD2-NE 3.02Å; D111-R113 IonicContact OD2-NH2 3.56Å; D111-R113 PolarHBondContact OD2-NH2 3.38Å; R113-R266 VanDerWaalsContact CD-NH1 3.26Å
114	E	98.4	Very high	98.5	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.075	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-91.5	-8	173.8	-61.2	179.2	126.3	0	0	112	D111 P112 Y263 V264 R266	D111-E114 HydrophobicContact CB-CG 4.07Å; D111-E114 WeakPolarHBondContact CB-OE2 3.42Å; D111-E114 PolarHBondContact N-OE2 3.09Å; D111-E114 VanDerWaalsContact O-CB 3.28Å; D111-E114 WeakPolarHBondContact O-CB 3.45Å; D111-E114 PolarHBondContact O-N 2.85Å; P112-E114 PolarHBondContact O-N 3.33Å; E114-Y263 HydrophobicContact CB-CD2 3.72Å; E114-Y263 HydrophobicContact CB-CE2 3.66Å; E114-Y263 HydrophobicContact CG-CE2 4.22Å; E114-Y263 CarbonylContact O-C 3.52Å; E114-Y263 WeakPolarHBondContact O-CA 3.35Å; E114-V264 WeakPolarHBondContact CB-O 3.3Å; E114-V264 PolarHBondContact O-N 2.73Å; E114-R266 HydrophobicContact CG-CB 4Å; E114-R266 HydrophobicContact CG-CG 3.77Å; E114-R266 PolarHBondContact OE1-N 2.69Å
115	I	98.7	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.1	178.6	-58.1	-49.4	0	0	0	110.6	R101 L104 A105 A110 P112 A261 Y263 R283	R101-I115 HydrophobicContact CG-CB 3.72Å; R101-I115 HydrophobicContact CG-CG1 4.4Å; R101-I115 HydrophobicContact CG-CG2 3.84Å; R101-I115 PolarHBondContact NH1-O 3.14Å; L104-I115 HydrophobicContact CD2-CB 4.16Å; L104-I115 HydrophobicContact CD2-CD1 3.73Å; L104-I115 HydrophobicContact CD2-CG1 3.89Å; L104-I115 HydrophobicContact CD2-CG2 3.22Å; A105-I115 HydrophobicContact CB-CD1 4.48Å; A105-I115 HydrophobicContact CB-CG1 3.9Å; A110-I115 HydrophobicContact CB-CD1 4.27Å; P112-I115 WeakPolarHBondContact O-CB 3.48Å; P112-I115 PolarHBondContact O-N 3.46Å; P112-I115 VanDerWaalsContact O-N 3.16Å; I115-A261 HydrophobicContact CG2-CB 4.17Å; I115-Y263 HydrophobicContact CD1-CD2 4.42Å; I115-R283 PolarHBondContact O-NH1 3.25Å
116	V	98.8	Very high	98.5	Very high	3 Å²	3	28 Å²	28	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.1	172.7	174.6	0	0	0	0	108.8	L127 A261 L262 V264 E282 L285 R286	V116-L127 HydrophobicContact CG1-CD2 4.28Å; V116-A261 CarbonylContact O-C 2.96Å; V116-A261 WeakPolarHBondContact O-CA 3.46Å; V116-A261 WeakPolarHBondContact O-CB 3.43Å; V116-L262 HydrophobicContact CB-CB 4.48Å; V116-L262 PolarHBondContact N-O 3.4Å; V116-L262 PolarHBondContact O-N 3.18Å; V116-V264 HydrophobicContact CG2-CG2 4.21Å; V116-E282 WeakPolarHBondContact CA-OE2 3.42Å; V116-E282 HydrophobicContact CG1-CB 4Å; V116-E282 HydrophobicContact CG1-CG 4.45Å; V116-L285 HydrophobicContact CG1-CB 4.31Å; V116-L285 HydrophobicContact CG2-CB 4.27Å; V116-L285 HydrophobicContact CG2-CD1 3.7Å; V116-R286 HydrophobicContact CG1-CB 3.76Å
117	F	98.9	Very high	98.6	Very high	6 Å²	6	25 Å²	25	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	140.1	175.8	-70.2	-62.7	0	0	0	111.8	V97 R101 A261 E282 R286 V290 V295 F298	V97-F117 HydrophobicContact CG1-CD2 4.34Å; V97-F117 HydrophobicContact CG1-CE2 3.86Å; R101-F117 HydrophobicContact CB-CE2 3.97Å; R101-F117 HydrophobicContact CB-CZ 3.9Å; R101-F117 HydrophobicContact CG-CE2 4.19Å; R101-F117 HydrophobicContact CG-CZ 4.27Å; R101-F117 VanDerWaalsContact CZ-CE2 3.49Å; F117-A261 HydrophobicContact CD1-CB 4.48Å; F117-E282 PolarHBondContact N-OE2 2.92Å; F117-R286 WeakPolarHBondContact O-CG 3.2Å; F117-V290 HydrophobicContact CD2-CG1 4.17Å; F117-V295 HydrophobicContact CB-CG2 4.42Å; F117-V295 HydrophobicContact CD1-CG1 4.31Å; F117-V295 HydrophobicContact CD1-CG2 3.82Å; F117-V295 HydrophobicContact CD2-CG1 4.21Å; F117-V295 HydrophobicContact CD2-CG2 4.06Å; F117-V295 HydrophobicContact CE1-CB 4.4Å; F117-V295 HydrophobicContact CE1-CG1 3.69Å; F117-V295 HydrophobicContact CE1-CG2 4.04Å; F117-V295 HydrophobicContact CE2-CG1 3.57Å; F117-V295 HydrophobicContact CE2-CG2 4.26Å; F117-V295 HydrophobicContact CG-CG2 3.84Å; F117-V295 HydrophobicContact CZ-CB 4.37Å; F117-V295 HydrophobicContact CZ-CG1 3.28Å; F117-V295 HydrophobicContact CZ-CG2 4.26Å; F117-F298 HydrophobicContact CE1-CD1 4.32Å
118	T	98.8	Very high	98.6	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	176.2	177.9	70.2	0	0	0	0	109.7	G120 E123 A124 G260 A261 L262	T118-G120 PolarHBondContact O-N 2.9Å; T118-G120 PolarHBondContact OG1-N 3.03Å; T118-G120 PolarHBondContact OG1-O 2.85Å; T118-E123 HydrophobicContact CG2-CG 4.39Å; T118-A124 HydrophobicContact CG2-CB 4.21Å; T118-G260 PolarHBondContact N-O 3.31Å; T118-G260 PolarHBondContact O-N 2.94Å; T118-G260 VanDerWaalsContact OG1-C 3.25Å; T118-A261 PolarHBondContact OG1-N 3.04Å; T118-L262 HydrophobicContact CG2-CB 4.4Å
119	S	98.7	Very high	98.6	Very high	59 Å²	59	24.4 Å²	24.4	41%	0.413	14%	0.14	S	C	.	.	S	Bend	trans	-78.4	-2.3	172.9	63.2	0	0	0	0	114.5	E123 G258 V259	S119-E123 WeakPolarHBondContact CB-OE2 3.49Å; S119-E123 PolarHBondContact N-OE2 3.39Å; S119-E123 PolarHBondContact OG-OE2 3.26Å; S119-G258 CarbonylContact O-C 3.21Å; S119-G258 VanDerWaalsContact O-CA 3.31Å; S119-G258 WeakPolarHBondContact O-CA 3.17Å; S119-V259 PolarHBondContact O-N 3.12Å; S119-V259 VanDerWaalsContact O-N 3.15Å
120	G	98.5	Very high	98.6	Very high	9 Å²	9	24.6 Å²	24.6	9%	0.093	13%	0.134	C	C	.	.	S	Bend	trans	155.6	176.4	-178.8	0	0	0	0	0	112.6	T118 T122 E123 A124	T118-G120 PolarHBondContact O-N 2.9Å; T118-G120 PolarHBondContact OG1-N 3.03Å; T118-G120 PolarHBondContact OG1-O 2.85Å; G120-T122 PolarHBondContact O-N 3.18Å; G120-E123 PolarHBondContact O-N 3.04Å; G120-A124 PolarHBondContact O-N 2.97Å
121	A	98.3	Very high	98.6	Very high	11 Å²	11	23.9 Å²	23.9	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-29.1	176.8	0	0	0	0	0	113.1	A124 N125 A228	A121-A124 PolarHBondContact O-N 2.98Å; A121-N125 WeakPolarHBondContact O-CB 3.39Å; A121-N125 PolarHBondContact O-N 2.97Å; A121-A228 HydrophobicContact CB-CB 3.74Å
122	T	98.6	Very high	98.6	Very high	82 Å²	82	21.6 Å²	21.6	50%	0.503	12%	0.116	S	C	.	.	H	α-helix	trans	-59.5	-48.4	173.3	-60.2	0	0	0	0	112	G120 N126 C152	G120-T122 PolarHBondContact O-N 3.18Å; T122-N126 PolarHBondContact O-N 2.92Å; T122-N126 VanDerWaalsContact O-N 3.15Å; T122-N126 PolarHBondContact O-ND2 3.11Å; T122-C152 HydrophobicContact CG2-CB 3.81Å
123	E	98.8	Very high	98.6	Very high	24 Å²	24	19.9 Å²	19.9	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176	-175.2	-172.8	143	0	0	110.8	T118 S119 G120 N126 L127 M276 R286	T118-E123 HydrophobicContact CG2-CG 4.39Å; S119-E123 WeakPolarHBondContact CB-OE2 3.49Å; S119-E123 PolarHBondContact N-OE2 3.39Å; S119-E123 PolarHBondContact OG-OE2 3.26Å; G120-E123 PolarHBondContact O-N 3.04Å; E123-N126 PolarHBondContact O-N 2.86Å; E123-L127 WeakPolarHBondContact O-CB 3.34Å; E123-L127 PolarHBondContact O-N 3.48Å; E123-M276 HydrophobicContact CG-CE 3.83Å; E123-M276 WeakPolarHBondContact OE1-CE 3.38Å; E123-R286 VanDerWaalsContact OE1-CG 3.25Å; E123-R286 WeakPolarHBondContact OE1-CG 3.31Å; E123-R286 IonicContact OE1-CZ 3.45Å; E123-R286 IonicContact OE1-NE 2.74Å; E123-R286 PolarHBondContact OE1-NE 3.31Å; E123-R286 IonicContact OE1-NH2 2.98Å; E123-R286 PolarHBondContact OE1-NH2 3.37Å; E123-R286 IonicContact OE2-CZ 2.95Å; E123-R286 IonicContact OE2-NE 2.73Å; E123-R286 IonicContact OE2-NH2 3.75Å; E123-R286 PolarHBondContact OE2-NH2 2.96Å; E123-R286 VanDerWaalsContact OE2-NH2 3.15Å
124	A	98.8	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-46	178.5	0	0	0	0	0	112.4	T118 G120 A121 N126 L127 A128 S247 L262	T118-A124 HydrophobicContact CG2-CB 4.21Å; G120-A124 PolarHBondContact O-N 2.97Å; A121-A124 PolarHBondContact O-N 2.98Å; A124-N126 PolarHBondContact O-N 2.84Å; A124-L127 PolarHBondContact O-N 3.47Å; A124-A128 VanDerWaalsContact O-CB 3.3Å; A124-A128 WeakPolarHBondContact O-CB 3.37Å; A124-A128 PolarHBondContact O-N 2.81Å; A124-S247 WeakPolarHBondContact CB-OG 3.23Å; A124-L262 HydrophobicContact CB-CB 4.05Å; A124-L262 HydrophobicContact CB-CD1 4.5Å
125	N	98.8	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-42.8	175.6	-74.6	-18.2	0	0	0	111.4	A121 A128 I129 C152 V153 H224 D226 S247	A121-N125 WeakPolarHBondContact O-CB 3.39Å; A121-N125 PolarHBondContact O-N 2.97Å; N125-A128 PolarHBondContact O-N 2.93Å; N125-I129 WeakPolarHBondContact O-CB 3.47Å; N125-I129 WeakPolarHBondContact O-CD1 3.44Å; N125-I129 WeakPolarHBondContact O-CG1 3.25Å; N125-I129 PolarHBondContact O-N 3.49Å; N125-C152 PolarHBondContact ND2-SG 3.41Å; N125-V153 HydrophobicContact CB-CG2 4.08Å; N125-H224 PolarHBondContact OD1-CE1 3.48Å; N125-H224 PolarHBondContact OD1-NE2 2.89Å; N125-H224 VanDerWaalsContact OD1-NE2 3.17Å; N125-D226 PolarHBondContact ND2-OD2 3.07Å; N125-S247 PolarHBondContact N-OG 3.25Å; N125-S247 WeakPolarHBondContact OD1-CB 3.41Å; N125-S247 PolarHBondContact OD1-OG 2.85Å
126	N	98.8	Very high	98.5	Very high	39 Å²	39	20 Å²	20	21%	0.209	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-48.3	175.9	-87.2	-101.4	0	0	0	111.3	T122 E123 A124 A128 K130 S156	T122-N126 PolarHBondContact O-N 2.92Å; T122-N126 VanDerWaalsContact O-N 3.15Å; T122-N126 PolarHBondContact O-ND2 3.11Å; E123-N126 PolarHBondContact O-N 2.86Å; A124-N126 PolarHBondContact O-N 2.84Å; N126-A128 VanDerWaalsContact C-N 3.35Å; N126-A128 PolarHBondContact O-N 3.43Å; N126-K130 VanDerWaalsContact O-CB 3.24Å; N126-K130 WeakPolarHBondContact O-CB 3.34Å; N126-K130 WeakPolarHBondContact O-CG 3.45Å; N126-K130 PolarHBondContact O-N 3.2Å; N126-K130 VanDerWaalsContact OD1-CE 3.28Å; N126-K130 WeakPolarHBondContact OD1-CE 3.48Å; N126-K130 PolarHBondContact OD1-NZ 3.21Å; N126-S156 VanDerWaalsContact CG-OG 3.31Å; N126-S156 PolarHBondContact ND2-OG 3.17Å; N126-S156 PolarHBondContact OD1-OG 3.47Å
127	L	98.7	Very high	98.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-39.8	179.3	178.7	60	0	0	0	111.9	V116 E123 A124 G131 L262 Q275	V116-L127 HydrophobicContact CG1-CD2 4.28Å; E123-L127 WeakPolarHBondContact O-CB 3.34Å; E123-L127 PolarHBondContact O-N 3.48Å; A124-L127 PolarHBondContact O-N 3.47Å; L127-G131 WeakPolarHBondContact O-CA 3.44Å; L127-G131 PolarHBondContact O-N 3.07Å; L127-L262 HydrophobicContact CB-CD2 4.11Å; L127-L262 HydrophobicContact CD2-CD2 3.79Å; L127-L262 HydrophobicContact CG-CD2 3.75Å; L127-Q275 HydrophobicContact CD1-CB 4.44Å; L127-Q275 HydrophobicContact CD1-CG 3.93Å
128	A	98.8	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-54.5	177.6	0	0	0	0	0	111.2	A124 N125 N126 V132 H224 L245 L262	A124-A128 VanDerWaalsContact O-CB 3.3Å; A124-A128 WeakPolarHBondContact O-CB 3.37Å; A124-A128 PolarHBondContact O-N 2.81Å; N125-A128 PolarHBondContact O-N 2.93Å; N126-A128 VanDerWaalsContact C-N 3.35Å; N126-A128 PolarHBondContact O-N 3.43Å; A128-V132 WeakPolarHBondContact O-CB 3.47Å; A128-V132 VanDerWaalsContact O-CG2 3.24Å; A128-V132 WeakPolarHBondContact O-CG2 3.37Å; A128-V132 PolarHBondContact O-N 3.41Å; A128-V132 VanDerWaalsContact O-N 3.07Å; A128-H224 VanDerWaalsContact CB-CD2 3.43Å; A128-H224 WeakPolarHBondContact CB-CD2 3.45Å; A128-L245 HydrophobicContact CB-CB 4.4Å; A128-L245 HydrophobicContact CB-CD2 3.79Å; A128-L262 HydrophobicContact CB-CD1 3.83Å; A128-L262 HydrophobicContact CB-CD2 4.15Å
129	I	98.8	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-58.5	-172.4	-66.9	162.6	0	0	0	110.3	N125 G131 T133 V153 L160 L193	N125-I129 WeakPolarHBondContact O-CB 3.47Å; N125-I129 WeakPolarHBondContact O-CD1 3.44Å; N125-I129 WeakPolarHBondContact O-CG1 3.25Å; N125-I129 PolarHBondContact O-N 3.49Å; I129-G131 PolarHBondContact O-N 2.96Å; I129-T133 WeakPolarHBondContact O-CB 3.29Å; I129-T133 WeakPolarHBondContact O-CG2 3.37Å; I129-T133 PolarHBondContact O-N 3.41Å; I129-T133 VanDerWaalsContact O-N 3.13Å; I129-T133 PolarHBondContact O-OG1 3.1Å; I129-V153 HydrophobicContact CD1-CB 3.93Å; I129-V153 HydrophobicContact CD1-CG1 3.64Å; I129-V153 HydrophobicContact CD1-CG2 3.88Å; I129-L160 HydrophobicContact CG2-CD1 3.63Å; I129-L193 HydrophobicContact CB-CD2 4.2Å; I129-L193 HydrophobicContact CG1-CD2 3.98Å; I129-L193 HydrophobicContact CG2-CD2 4.33Å
130	K	98.7	Very high	98	Very high	29 Å²	29	38.7 Å²	38.7	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-40.8	-178.2	-58.2	174.6	177.4	174.3	0	111.1	N126 V132 T133 H134 Y159 Q275	N126-K130 VanDerWaalsContact O-CB 3.24Å; N126-K130 WeakPolarHBondContact O-CB 3.34Å; N126-K130 WeakPolarHBondContact O-CG 3.45Å; N126-K130 PolarHBondContact O-N 3.2Å; N126-K130 VanDerWaalsContact OD1-CE 3.28Å; N126-K130 WeakPolarHBondContact OD1-CE 3.48Å; N126-K130 PolarHBondContact OD1-NZ 3.21Å; K130-V132 PolarHBondContact O-N 3.25Å; K130-T133 WeakPolarHBondContact CA-OG1 3.26Å; K130-T133 PolarHBondContact O-N 3.28Å; K130-T133 PolarHBondContact O-OG1 3.32Å; K130-T133 VanDerWaalsContact O-OG1 3.11Å; K130-H134 VanDerWaalsContact O-CB 3.25Å; K130-H134 WeakPolarHBondContact O-CB 3.46Å; K130-H134 PolarHBondContact O-N 3.37Å; K130-H134 PolarHBondContact O-ND1 2.83Å; K130-Y159 HydrophobicContact CD-CD1 4.23Å; K130-Y159 HydrophobicContact CD-CE1 4.49Å; K130-Q275 HydrophobicContact CB-CG 4.44Å
131	G	98.5	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-43.6	-179.1	0	0	0	0	0	113.4	L127 I129 F135 L272 E273	L127-G131 WeakPolarHBondContact O-CA 3.44Å; L127-G131 PolarHBondContact O-N 3.07Å; I129-G131 PolarHBondContact O-N 2.96Å; G131-F135 VanDerWaalsContact O-CB 3.3Å; G131-F135 WeakPolarHBondContact O-CB 3.49Å; G131-F135 PolarHBondContact O-N 2.95Å; G131-L272 WeakPolarHBondContact O-CA 3.38Å; G131-E273 VanDerWaalsContact CA-O 3.26Å; G131-E273 WeakPolarHBondContact CA-O 3.48Å; G131-E273 PolarHBondContact O-N 2.86Å
132	V	98.3	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-49.8	174.5	173.4	0	0	0	0	110	A128 K130 H134 F135 Y136 L193 F222 L245 V270 L272	A128-V132 WeakPolarHBondContact O-CB 3.47Å; A128-V132 VanDerWaalsContact O-CG2 3.24Å; A128-V132 WeakPolarHBondContact O-CG2 3.37Å; A128-V132 PolarHBondContact O-N 3.41Å; A128-V132 VanDerWaalsContact O-N 3.07Å; K130-V132 PolarHBondContact O-N 3.25Å; V132-H134 PolarHBondContact O-N 3.1Å; V132-F135 PolarHBondContact O-N 3.19Å; V132-Y136 HydrophobicContact CG1-CD2 4.01Å; V132-Y136 HydrophobicContact CG1-CE2 4.45Å; V132-Y136 VanDerWaalsContact O-CD2 3.29Å; V132-Y136 WeakPolarHBondContact O-CD2 3.17Å; V132-Y136 PolarHBondContact O-N 3.46Å; V132-Y136 VanDerWaalsContact O-N 3.16Å; V132-L193 HydrophobicContact CB-CD1 4.49Å; V132-L193 HydrophobicContact CG1-CB 4.31Å; V132-L193 HydrophobicContact CG1-CD1 4.33Å; V132-L193 HydrophobicContact CG2-CD1 4.34Å; V132-F222 HydrophobicContact CG1-CB 4.41Å; V132-F222 HydrophobicContact CG1-CD2 3.77Å; V132-F222 HydrophobicContact CG1-CG 4.41Å; V132-L245 HydrophobicContact CG2-CD1 3.7Å; V132-L245 HydrophobicContact CG2-CD2 4Å; V132-V270 HydrophobicContact CG2-CG1 4.44Å; V132-L272 HydrophobicContact CB-CD2 4.06Å; V132-L272 HydrophobicContact CG2-CD2 3.15Å
133	T	97.9	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-43.1	-170.6	55.6	0	0	0	0	111.9	I129 K130 Y136 K137 V143 L160 L193	I129-T133 WeakPolarHBondContact O-CB 3.29Å; I129-T133 WeakPolarHBondContact O-CG2 3.37Å; I129-T133 PolarHBondContact O-N 3.41Å; I129-T133 VanDerWaalsContact O-N 3.13Å; I129-T133 PolarHBondContact O-OG1 3.1Å; K130-T133 WeakPolarHBondContact CA-OG1 3.26Å; K130-T133 PolarHBondContact O-N 3.28Å; K130-T133 PolarHBondContact O-OG1 3.32Å; K130-T133 VanDerWaalsContact O-OG1 3.11Å; T133-Y136 PolarHBondContact O-N 2.73Å; T133-K137 WeakPolarHBondContact O-CA 3.2Å; T133-K137 PolarHBondContact O-N 2.95Å; T133-V143 HydrophobicContact CG2-CG2 3.29Å; T133-L160 HydrophobicContact CG2-CD1 3.83Å; T133-L160 WeakPolarHBondContact OG1-CD1 3.48Å; T133-L160 VanDerWaalsContact OG1-CD2 3.3Å; T133-L160 WeakPolarHBondContact OG1-CD2 3.45Å; T133-L193 HydrophobicContact CG2-CB 4.49Å
134	H	98.1	Very high	98	Very high	21 Å²	21	36.1 Å²	36.1	10%	0.097	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-42.2	175.6	-65.4	160.1	0	0	0	112.1	K130 V132 Y136 K137 E163 E273	K130-H134 VanDerWaalsContact O-CB 3.25Å; K130-H134 WeakPolarHBondContact O-CB 3.46Å; K130-H134 PolarHBondContact O-N 3.37Å; K130-H134 PolarHBondContact O-ND1 2.83Å; V132-H134 PolarHBondContact O-N 3.1Å; H134-Y136 VanDerWaalsContact C-N 3.3Å; H134-Y136 PolarHBondContact O-N 2.99Å; H134-K137 WeakPolarHBondContact O-CD 3.26Å; H134-K137 VanDerWaalsContact O-CG 3.32Å; H134-K137 WeakPolarHBondContact O-CG 3.31Å; H134-K137 PolarHBondContact O-N 2.92Å; H134-E163 IonicContact CD2-OE2 2.83Å; H134-E163 IonicContact CE1-OE2 3.75Å; H134-E163 IonicContact NE2-OE1 3.71Å; H134-E163 IonicContact NE2-OE2 3.03Å; H134-E163 PolarHBondContact NE2-OE2 3Å; H134-E273 HydrophobicContact CB-CB 4.15Å; H134-E273 WeakPolarHBondContact CB-OE2 3.5Å
135	F	98	Very high	98	Very high	83 Å²	83	36.2 Å²	36.2	36%	0.364	17%	0.169	S	C	.	.	H	α-helix	trans	-63.3	-34.7	180	-169.9	-83.5	0	0	0	113	G131 V132 R271	G131-F135 VanDerWaalsContact O-CB 3.3Å; G131-F135 WeakPolarHBondContact O-CB 3.49Å; G131-F135 PolarHBondContact O-N 2.95Å; V132-F135 PolarHBondContact O-N 3.19Å; F135-R271 HydrophobicContact CD1-CB 3.55Å; F135-R271 HydrophobicContact CD2-CB 4Å; F135-R271 HydrophobicContact CE1-CB 3.32Å; F135-R271 HydrophobicContact CE1-CG 3.87Å; F135-R271 HydrophobicContact CE2-CB 3.79Å; F135-R271 HydrophobicContact CE2-CG 4.49Å; F135-R271 HydrophobicContact CG-CB 3.91Å; F135-R271 HydrophobicContact CZ-CB 3.45Å; F135-R271 VanDerWaalsContact CZ-CB 3.45Å; F135-R271 HydrophobicContact CZ-CG 3.84Å
136	Y	97.4	Very high	98	Very high	49 Å²	49	36.2 Å²	36.2	19%	0.192	17%	0.169	C	C	.	.	H	α-helix	trans	-104.7	8.5	-176	-67.5	-80	0	0	0	114.4	V132 T133 H134 D138 K139 K140 F222 R271	V132-Y136 HydrophobicContact CG1-CD2 4.01Å; V132-Y136 HydrophobicContact CG1-CE2 4.45Å; V132-Y136 VanDerWaalsContact O-CD2 3.29Å; V132-Y136 WeakPolarHBondContact O-CD2 3.17Å; V132-Y136 PolarHBondContact O-N 3.46Å; V132-Y136 VanDerWaalsContact O-N 3.16Å; T133-Y136 PolarHBondContact O-N 2.73Å; H134-Y136 VanDerWaalsContact C-N 3.3Å; H134-Y136 PolarHBondContact O-N 2.99Å; Y136-D138 VanDerWaalsContact C-N 3.25Å; Y136-D138 PolarHBondContact O-N 3.5Å; Y136-D138 VanDerWaalsContact O-N 3.12Å; Y136-K139 PolarHBondContact O-N 3.11Å; Y136-K140 PolarHBondContact O-N 2.87Å; Y136-F222 HydrophobicContact CD1-CE2 4.43Å; Y136-F222 HydrophobicContact CD2-CD2 4.31Å; Y136-F222 AromaticContact CD2-CE2 3.73Å; Y136-F222 HydrophobicContact CD2-CE2 3.73Å; Y136-F222 HydrophobicContact CE1-CE2 4.02Å; Y136-F222 HydrophobicContact CE1-CZ 4.31Å; Y136-F222 HydrophobicContact CE2-CD2 4.09Å; Y136-F222 AromaticContact CE2-CE2 3.26Å; Y136-F222 HydrophobicContact CE2-CE2 3.26Å; Y136-F222 AromaticContact CE2-CZ 3.82Å; Y136-F222 HydrophobicContact CE2-CZ 3.82Å; Y136-F222 HydrophobicContact CG-CE2 4.31Å; Y136-F222 AromaticContact CZ-CE2 3.43Å; Y136-F222 VanDerWaalsContact CZ-CE2 3.43Å; Y136-F222 AromaticContact CZ-CZ 3.6Å; Y136-F222 WeakPolarHBondContact OH-CZ 3.3Å; Y136-R271 HydrophobicContact CE2-CB 4.35Å; Y136-R271 WeakPolarHBondContact CE2-O 3.49Å
137	K	96.3	Very high	97.9	Very high	111 Å²	111	38 Å²	38	48%	0.483	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-37	-171.7	72.3	-173	179.6	-174.6	0	114.5	T133 H134 K139 F165	T133-K137 WeakPolarHBondContact O-CA 3.2Å; T133-K137 PolarHBondContact O-N 2.95Å; H134-K137 WeakPolarHBondContact O-CD 3.26Å; H134-K137 VanDerWaalsContact O-CG 3.32Å; H134-K137 WeakPolarHBondContact O-CG 3.31Å; H134-K137 PolarHBondContact O-N 2.92Å; K137-K139 PolarHBondContact O-N 2.93Å; K137-K139 VanDerWaalsContact O-N 3.15Å; K137-F165 HydrophobicContact CB-CE1 4.03Å; K137-F165 HydrophobicContact CB-CZ 3.76Å
138	D	95.3	Very high	97.8	Very high	144 Å²	144	38.1 Å²	38.1	77%	0.77	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.5	-177.2	-60.2	-23	0	0	0	112.7	Y136	Y136-D138 VanDerWaalsContact C-N 3.25Å; Y136-D138 PolarHBondContact O-N 3.5Å; Y136-D138 VanDerWaalsContact O-N 3.12Å
139	K	95.4	Very high	97.8	Very high	164 Å²	164	38.1 Å²	38.1	71%	0.713	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-37.9	-177.7	-64.3	-177.6	-178.8	179.2	0	112.6	Y136 K137 K190	Y136-K139 PolarHBondContact O-N 3.11Å; K137-K139 PolarHBondContact O-N 2.93Å; K137-K139 VanDerWaalsContact O-N 3.15Å; K139-K190 WeakPolarHBondContact O-CD 3.48Å
140	K	97.2	Very high	97.7	Very high	46 Å²	46	39.5 Å²	39.5	20%	0.2	18%	0.183	C	C	.	.			trans	-136.5	118.3	-168	-71.4	174.5	166.5	-69.7	0	109.7	Y136 D189 K190 T191	Y136-K140 PolarHBondContact O-N 2.87Å; K140-D189 PolarHBondContact NZ-O 3.15Å; K140-K190 CarbonylContact C-O 3.56Å; K140-K190 WeakPolarHBondContact CA-O 3.43Å; K140-K190 VanDerWaalsContact CB-O 3.23Å; K140-K190 WeakPolarHBondContact CB-O 3.47Å; K140-T191 WeakPolarHBondContact CD-O 3.25Å; K140-T191 PolarHBondContact NZ-O 3.29Å
141	N	97.2	Very high	97.6	Very high	68 Å²	68	41.2 Å²	41.2	36%	0.364	19%	0.191	S	C	.	.			trans	-125.8	22.9	-174.2	67.5	-28.4	0	0	0	113	F165 K166 K190	N141-F165 HydrophobicContact CB-CD1 4.15Å; N141-F165 HydrophobicContact CB-CE1 4.49Å; N141-K166 PolarHBondContact O-N 3.46Å; N141-K190 PolarHBondContact N-O 2.91Å; N141-K190 VanDerWaalsContact N-O 3.08Å
142	H	98.7	Very high	97.5	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.5	179	178.2	-132.2	0	0	0	111.9	I144 K166 T168 A186 K190 T191 S192	H142-I144 VanDerWaalsContact CE1-CG1 3.42Å; H142-I144 WeakPolarHBondContact CE1-CG1 3.44Å; H142-K166 CarbonylContact C-O 3.55Å; H142-K166 VanDerWaalsContact CA-O 3.31Å; H142-K166 WeakPolarHBondContact CA-O 3.46Å; H142-K166 HydrophobicContact CB-CB 4.45Å; H142-K166 PolarHBondContact CD2-O 2.87Å; H142-T168 PolarHBondContact NE2-OG1 3.28Å; H142-A186 PolarHBondContact CE1-O 3.47Å; H142-A186 VanDerWaalsContact CE1-O 3.31Å; H142-K190 HydrophobicContact CB-CB 4.24Å; H142-K190 PolarHBondContact N-O 3.31Å; H142-T191 PolarHBondContact ND1-OG1 2.9Å; H142-T191 CarbonylContact O-C 3.56Å; H142-T191 VanDerWaalsContact O-CA 3.29Å; H142-T191 WeakPolarHBondContact O-CA 3.43Å; H142-S192 PolarHBondContact O-N 3.18Å; H142-S192 PolarHBondContact O-OG 3.15Å
143	V	98.8	Very high	97.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141	175	-177.4	0	0	0	0	109.4	T133 L160 K166 V167 T168 L193	T133-V143 HydrophobicContact CG2-CG2 3.29Å; V143-L160 HydrophobicContact CG2-CD1 4.26Å; V143-K166 PolarHBondContact N-O 3.02Å; V143-V167 HydrophobicContact CB-CG2 4.32Å; V143-V167 CarbonylContact O-C 3.38Å; V143-V167 VanDerWaalsContact O-CA 3.32Å; V143-V167 WeakPolarHBondContact O-CA 3.14Å; V143-T168 PolarHBondContact O-N 3.33Å; V143-L193 WeakPolarHBondContact CA-O 3.47Å; V143-L193 HydrophobicContact CG1-CB 4.38Å
144	I	98.9	Very high	97.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.6	173.8	-57.5	168.3	0	0	0	108.3	H142 T168 L170 L183 A186 I187 T191 L193 V194 S195	H142-I144 VanDerWaalsContact CE1-CG1 3.42Å; H142-I144 WeakPolarHBondContact CE1-CG1 3.44Å; I144-T168 WeakPolarHBondContact CA-O 3.36Å; I144-L170 HydrophobicContact CG2-CD1 3.52Å; I144-L170 HydrophobicContact CG2-CG 3.87Å; I144-L183 HydrophobicContact CG2-CD1 3.86Å; I144-A186 HydrophobicContact CD1-CB 3.85Å; I144-A186 WeakPolarHBondContact CD1-O 3.5Å; I144-A186 HydrophobicContact CG1-CB 4.46Å; I144-I187 HydrophobicContact CD1-CB 4.41Å; I144-I187 HydrophobicContact CD1-CG1 3.73Å; I144-T191 HydrophobicContact CD1-CG2 3.76Å; I144-T191 HydrophobicContact CG1-CG2 4.03Å; I144-L193 PolarHBondContact N-O 3.44Å; I144-V194 HydrophobicContact CB-CG2 4.14Å; I144-V194 HydrophobicContact CD1-CG2 4.28Å; I144-V194 CarbonylContact O-C 3.33Å; I144-V194 WeakPolarHBondContact O-CA 3.19Å; I144-S195 PolarHBondContact O-N 2.91Å
145	T	98.8	Very high	97.6	Very high	1 Å²	1	45 Å²	45	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	172.5	177.4	-161.7	0	0	0	0	109.8	E149 V153 L154 V167 T168 Y169 L170 S195	T145-E149 VanDerWaalsContact OG1-CG 3.28Å; T145-E149 WeakPolarHBondContact OG1-CG 3.49Å; T145-V153 WeakPolarHBondContact OG1-CG1 3.12Å; T145-L154 HydrophobicContact CG2-CD2 4.49Å; T145-V167 HydrophobicContact CG2-CG1 4.15Å; T145-T168 PolarHBondContact N-O 3.29Å; T145-T168 VanDerWaalsContact O-O 3.08Å; T145-Y169 HydrophobicContact CG2-CD1 3.34Å; T145-Y169 HydrophobicContact CG2-CE1 3.62Å; T145-Y169 HydrophobicContact CG2-CG 4.15Å; T145-Y169 CarbonylContact O-C 3.56Å; T145-Y169 WeakPolarHBondContact O-CA 3.24Å; T145-L170 PolarHBondContact O-N 2.93Å; T145-S195 WeakPolarHBondContact CA-O 3.37Å; T145-S195 PolarHBondContact OG1-O 3.31Å
146	T	98.5	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	161	173.5	76.9	0	0	0	0	111.6	T148 E149 L154 L170 L178 V196	T146-T148 PolarHBondContact O-N 3.15Å; T146-T148 PolarHBondContact OG1-N 3.12Å; T146-T148 PolarHBondContact OG1-OG1 2.54Å; T146-E149 WeakPolarHBondContact OG1-CG 3.3Å; T146-E149 PolarHBondContact OG1-N 2.93Å; T146-E149 PolarHBondContact OG1-OE1 3.06Å; T146-L154 WeakPolarHBondContact O-CD2 3.49Å; T146-L170 WeakPolarHBondContact CA-O 3.28Å; T146-L178 HydrophobicContact CG2-CD1 4.22Å; T146-L178 HydrophobicContact CG2-CD2 4.12Å; T146-V196 HydrophobicContact CG2-CB 4.49Å; T146-V196 HydrophobicContact CG2-CG1 4.04Å; T146-V196 HydrophobicContact CG2-CG2 3.99Å
147	Q	97.8	Very high	97.7	Very high	77 Å²	77	38.7 Å²	38.7	36%	0.36	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.9	173.5	-68.8	174.1	4.6	0	0	113.3	Y169 L170 Y373 A377	Q147-Y169 PolarHBondContact NE2-O 3.21Å; Q147-L170 WeakPolarHBondContact CG-O 3.22Å; Q147-L170 PolarHBondContact N-O 3.08Å; Q147-Y373 WeakPolarHBondContact O-CD2 3.4Å; Q147-A377 HydrophobicContact CB-CB 4.03Å
148	T	97.3	Very high	97.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	4.7	-175	53.9	0	0	0	0	113.9	T146 V172 N200 V374 A377	T146-T148 PolarHBondContact O-N 3.15Å; T146-T148 PolarHBondContact OG1-N 3.12Å; T146-T148 PolarHBondContact OG1-OG1 2.54Å; T148-V172 HydrophobicContact CG2-CG1 4.15Å; T148-V172 HydrophobicContact CG2-CG2 3.58Å; T148-N200 PolarHBondContact O-ND2 3.29Å; T148-V374 HydrophobicContact CG2-CG1 4.02Å; T148-A377 HydrophobicContact CG2-CB 3.73Å
149	E	98.2	Very high	97.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.168	C	C	.	.	S	Bend	trans	-62.1	156.9	175.3	-66.2	-67.9	101.5	0	0	112.5	T145 T146 V153 L154 M197 Y373	T145-E149 VanDerWaalsContact OG1-CG 3.28Å; T145-E149 WeakPolarHBondContact OG1-CG 3.49Å; T146-E149 WeakPolarHBondContact OG1-CG 3.3Å; T146-E149 PolarHBondContact OG1-N 2.93Å; T146-E149 PolarHBondContact OG1-OE1 3.06Å; E149-V153 HydrophobicContact CB-CB 3.81Å; E149-V153 HydrophobicContact CB-CG1 3.76Å; E149-V153 HydrophobicContact CB-CG2 4.44Å; E149-V153 HydrophobicContact CG-CB 4.28Å; E149-V153 HydrophobicContact CG-CG1 3.72Å; E149-L154 HydrophobicContact CB-CD2 4.06Å; E149-L154 HydrophobicContact CB-CG 4.19Å; E149-L154 WeakPolarHBondContact O-CD1 3.37Å; E149-M197 VanDerWaalsContact CD-N 3.34Å; E149-M197 WeakPolarHBondContact OE1-CB 3.06Å; E149-M197 VanDerWaalsContact OE1-CG 3.28Å; E149-M197 WeakPolarHBondContact OE1-CG 3.41Å; E149-M197 PolarHBondContact OE1-N 3.02Å; E149-M197 PolarHBondContact OE2-N 3.23Å; E149-Y373 WeakPolarHBondContact O-CE2 3.48Å; E149-Y373 PolarHBondContact O-OH 2.73Å
150	H	97.1	Very high	98	Very high	29 Å²	29	29.8 Å²	29.8	13%	0.134	13%	0.134	C	C	.	.			trans	-59.7	146.6	171.6	-171.8	-96.4	0	0	0	111.9	C152 V153 L154 M197	H150-C152 PolarHBondContact ND1-N 3.25Å; H150-C152 PolarHBondContact ND1-SG 2.89Å; H150-C152 PolarHBondContact O-N 2.94Å; H150-V153 WeakPolarHBondContact O-CB 3.41Å; H150-V153 PolarHBondContact O-N 3.04Å; H150-L154 PolarHBondContact O-N 2.86Å; H150-M197 HydrophobicContact CB-CE 4.38Å
151	K	96.1	Very high	98.1	Very high	64 Å²	64	31.2 Å²	31.2	28%	0.278	14%	0.142	S	C	.	.	H	α-helix	trans	-47.1	-38.6	-177.4	-79	-168.3	174.6	180	0	114.6	V153 L154 D155 C364 Y373	K151-V153 PolarHBondContact O-N 3.21Å; K151-L154 PolarHBondContact O-N 3.32Å; K151-D155 VanDerWaalsContact O-CB 3.27Å; K151-D155 WeakPolarHBondContact O-CB 3.4Å; K151-D155 VanDerWaalsContact O-CG 3.24Å; K151-D155 PolarHBondContact O-N 3.27Å; K151-C364 PolarHBondContact NZ-O 3.37Å; K151-Y373 HydrophobicContact CG-CE1 4.3Å
152	C	97	Very high	98.1	Very high	11 Å²	11	35 Å²	35	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-24.4	-179.8	61.5	0	0	0	0	114	T122 N125 H150 S156	T122-C152 HydrophobicContact CG2-CB 3.81Å; N125-C152 PolarHBondContact ND2-SG 3.41Å; H150-C152 PolarHBondContact ND1-N 3.25Å; H150-C152 PolarHBondContact ND1-SG 2.89Å; H150-C152 PolarHBondContact O-N 2.94Å; C152-S156 VanDerWaalsContact O-CB 3.27Å; C152-S156 WeakPolarHBondContact O-CB 3.48Å; C152-S156 PolarHBondContact O-N 3.21Å; C152-S156 PolarHBondContact O-OG 3.07Å
153	V	98.7	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-76.7	-50.4	169.4	171.8	0	0	0	0	109.9	N125 I129 T145 E149 H150 K151 D155 S156 C157	N125-V153 HydrophobicContact CB-CG2 4.08Å; I129-V153 HydrophobicContact CD1-CB 3.93Å; I129-V153 HydrophobicContact CD1-CG1 3.64Å; I129-V153 HydrophobicContact CD1-CG2 3.88Å; T145-V153 WeakPolarHBondContact OG1-CG1 3.12Å; E149-V153 HydrophobicContact CB-CB 3.81Å; E149-V153 HydrophobicContact CB-CG1 3.76Å; E149-V153 HydrophobicContact CB-CG2 4.44Å; E149-V153 HydrophobicContact CG-CB 4.28Å; E149-V153 HydrophobicContact CG-CG1 3.72Å; H150-V153 WeakPolarHBondContact O-CB 3.41Å; H150-V153 PolarHBondContact O-N 3.04Å; K151-V153 PolarHBondContact O-N 3.21Å; V153-D155 PolarHBondContact O-N 3.35Å; V153-S156 WeakPolarHBondContact O-CB 3.11Å; V153-S156 PolarHBondContact O-N 3.5Å; V153-C157 PolarHBondContact O-N 3.08Å; V153-C157 PolarHBondContact O-SG 2.89Å
154	L	98.4	Very high	98	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-42.3	-179.1	-61.3	-179.7	0	0	0	112.7	T145 T146 E149 H150 K151 C157 R158 Y169 Y373	T145-L154 HydrophobicContact CG2-CD2 4.49Å; T146-L154 WeakPolarHBondContact O-CD2 3.49Å; E149-L154 HydrophobicContact CB-CD2 4.06Å; E149-L154 HydrophobicContact CB-CG 4.19Å; E149-L154 WeakPolarHBondContact O-CD1 3.37Å; H150-L154 PolarHBondContact O-N 2.86Å; K151-L154 PolarHBondContact O-N 3.32Å; L154-C157 PolarHBondContact O-N 3.2Å; L154-R158 WeakPolarHBondContact O-CG 3.32Å; L154-R158 PolarHBondContact O-N 3.37Å; L154-Y169 HydrophobicContact CD2-CD1 3.85Å; L154-Y169 HydrophobicContact CD2-CE1 3.83Å; L154-Y373 HydrophobicContact CD1-CD2 4Å; L154-Y373 HydrophobicContact CD1-CE2 3.54Å
155	D	98.1	Very high	98	Very high	75 Å²	75	42.9 Å²	42.9	40%	0.401	22%	0.215	S	C	.	.	H	α-helix	trans	-72.5	-32.8	178.1	-66.4	-20.2	0	0	0	111.3	K151 V153 C157 R158 Y159	K151-D155 VanDerWaalsContact O-CB 3.27Å; K151-D155 WeakPolarHBondContact O-CB 3.4Å; K151-D155 VanDerWaalsContact O-CG 3.24Å; K151-D155 PolarHBondContact O-N 3.27Å; V153-D155 PolarHBondContact O-N 3.35Å; D155-C157 VanDerWaalsContact C-N 3.32Å; D155-R158 IonicContact OD1-CZ 3.55Å; D155-R158 IonicContact OD1-NE 2.68Å; D155-R158 PolarHBondContact OD1-NE 3.04Å; D155-R158 IonicContact OD1-NH1 2.73Å; D155-R158 IonicContact OD1-NH2 3.46Å; D155-R158 PolarHBondContact OD1-NH2 3.42Å; D155-Y159 WeakPolarHBondContact O-CB 3.44Å; D155-Y159 PolarHBondContact O-N 3.39Å
156	S	98.5	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-39.1	171	-66.4	0	0	0	0	111.3	N126 C152 V153 Y159 L160	N126-S156 VanDerWaalsContact CG-OG 3.31Å; N126-S156 PolarHBondContact ND2-OG 3.17Å; N126-S156 PolarHBondContact OD1-OG 3.47Å; C152-S156 VanDerWaalsContact O-CB 3.27Å; C152-S156 WeakPolarHBondContact O-CB 3.48Å; C152-S156 PolarHBondContact O-N 3.21Å; C152-S156 PolarHBondContact O-OG 3.07Å; V153-S156 WeakPolarHBondContact O-CB 3.11Å; V153-S156 PolarHBondContact O-N 3.5Å; S156-Y159 WeakPolarHBondContact O-CB 3.41Å; S156-Y159 PolarHBondContact O-N 2.98Å; S156-L160 WeakPolarHBondContact O-CG 3.38Å; S156-L160 PolarHBondContact O-N 3.31Å; S156-L160 VanDerWaalsContact O-N 3.12Å
157	C	98.6	Very high	98	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-46.1	175.6	-67.4	0	0	0	0	111.8	V153 L154 D155 Y159 L160 E161 V167 Y169	V153-C157 PolarHBondContact O-N 3.08Å; V153-C157 PolarHBondContact O-SG 2.89Å; L154-C157 PolarHBondContact O-N 3.2Å; D155-C157 VanDerWaalsContact C-N 3.32Å; C157-Y159 VanDerWaalsContact C-N 3.26Å; C157-Y159 PolarHBondContact O-N 3.49Å; C157-L160 WeakPolarHBondContact O-CA 3.45Å; C157-L160 WeakPolarHBondContact O-CB 3.25Å; C157-L160 PolarHBondContact O-N 2.92Å; C157-E161 PolarHBondContact O-N 3.34Å; C157-V167 HydrophobicContact CB-CG1 3.88Å; C157-V167 HydrophobicContact CB-CG2 4.1Å; C157-Y169 HydrophobicContact CB-CE1 3.94Å; C157-Y169 VanDerWaalsContact CB-OH 3.22Å; C157-Y169 WeakPolarHBondContact CB-OH 3.23Å
158	R	98.4	Very high	98	Very high	124 Å²	124	47.8 Å²	47.8	47%	0.468	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-37.4	173.9	-77.3	-175.6	-90.2	178	-4.8	112.7	L154 D155 E161 N162 Y169	L154-R158 WeakPolarHBondContact O-CG 3.32Å; L154-R158 PolarHBondContact O-N 3.37Å; D155-R158 IonicContact OD1-CZ 3.55Å; D155-R158 IonicContact OD1-NE 2.68Å; D155-R158 PolarHBondContact OD1-NE 3.04Å; D155-R158 IonicContact OD1-NH1 2.73Å; D155-R158 IonicContact OD1-NH2 3.46Å; D155-R158 PolarHBondContact OD1-NH2 3.42Å; R158-E161 WeakPolarHBondContact CA-OE2 3.45Å; R158-E161 PolarHBondContact O-N 3.33Å; R158-N162 PolarHBondContact O-N 3.32Å; R158-Y169 WeakPolarHBondContact CG-OH 3.49Å; R158-Y169 PolarHBondContact N-OH 3.19Å
159	Y	98.3	Very high	98.1	Very high	108 Å²	108	50.4 Å²	50.4	42%	0.424	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-45.2	172.2	178.3	-91.4	0	0	0	111.8	K130 D155 S156 C157 E161 N162 E163	K130-Y159 HydrophobicContact CD-CD1 4.23Å; K130-Y159 HydrophobicContact CD-CE1 4.49Å; D155-Y159 WeakPolarHBondContact O-CB 3.44Å; D155-Y159 PolarHBondContact O-N 3.39Å; S156-Y159 WeakPolarHBondContact O-CB 3.41Å; S156-Y159 PolarHBondContact O-N 2.98Å; C157-Y159 VanDerWaalsContact C-N 3.26Å; C157-Y159 PolarHBondContact O-N 3.49Å; Y159-E161 VanDerWaalsContact C-N 3.34Å; Y159-E161 PolarHBondContact O-N 3.4Å; Y159-N162 WeakPolarHBondContact O-CB 3.33Å; Y159-N162 PolarHBondContact O-N 3.03Å; Y159-E163 VanDerWaalsContact CE1-CD 3.45Å; Y159-E163 HydrophobicContact CE1-CG 4.17Å; Y159-E163 VanDerWaalsContact CE1-OE2 3.32Å; Y159-E163 WeakPolarHBondContact CE1-OE2 3.31Å; Y159-E163 PolarHBondContact O-N 3.48Å
160	L	98.3	Very high	98.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-34.6	176.8	-68.7	172.8	0	0	0	112.6	I129 T133 V143 S156 C157 N162 E163 G164 F165	I129-L160 HydrophobicContact CG2-CD1 3.63Å; T133-L160 HydrophobicContact CG2-CD1 3.83Å; T133-L160 WeakPolarHBondContact OG1-CD1 3.48Å; T133-L160 VanDerWaalsContact OG1-CD2 3.3Å; T133-L160 WeakPolarHBondContact OG1-CD2 3.45Å; V143-L160 HydrophobicContact CG2-CD1 4.26Å; S156-L160 WeakPolarHBondContact O-CG 3.38Å; S156-L160 PolarHBondContact O-N 3.31Å; S156-L160 VanDerWaalsContact O-N 3.12Å; C157-L160 WeakPolarHBondContact O-CA 3.45Å; C157-L160 WeakPolarHBondContact O-CB 3.25Å; C157-L160 PolarHBondContact O-N 2.92Å; L160-N162 VanDerWaalsContact C-N 3.31Å; L160-N162 PolarHBondContact O-N 3.48Å; L160-E163 CarbonylContact O-C 3.51Å; L160-E163 WeakPolarHBondContact O-CA 3.41Å; L160-E163 WeakPolarHBondContact O-CB 3.42Å; L160-E163 PolarHBondContact O-N 2.89Å; L160-G164 PolarHBondContact O-N 3.46Å; L160-F165 HydrophobicContact CB-CB 4.01Å; L160-F165 HydrophobicContact CB-CD2 4.04Å; L160-F165 HydrophobicContact CB-CG 4.2Å; L160-F165 HydrophobicContact CD2-CD2 3.88Å; L160-F165 HydrophobicContact CD2-CE2 3.94Å; L160-F165 HydrophobicContact CD2-CG 4.45Å; L160-F165 WeakPolarHBondContact O-CB 3.45Å; L160-F165 WeakPolarHBondContact O-CD2 3.42Å; L160-F165 PolarHBondContact O-N 2.92Å
161	E	98.3	Very high	98.1	Very high	76 Å²	76	51.8 Å²	51.8	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-41.9	173.8	-68.9	177.3	107.1	0	0	111.6	C157 R158 Y159 E163 G164 F165 V167 Y169	C157-E161 PolarHBondContact O-N 3.34Å; R158-E161 WeakPolarHBondContact CA-OE2 3.45Å; R158-E161 PolarHBondContact O-N 3.33Å; Y159-E161 VanDerWaalsContact C-N 3.34Å; Y159-E161 PolarHBondContact O-N 3.4Å; E161-E163 PolarHBondContact O-N 3.44Å; E161-G164 PolarHBondContact O-N 3.22Å; E161-F165 WeakPolarHBondContact CA-O 3.48Å; E161-V167 HydrophobicContact CG-CB 3.83Å; E161-V167 HydrophobicContact CG-CG2 3.46Å; E161-V167 VanDerWaalsContact CG-CG2 3.46Å; E161-Y169 WeakPolarHBondContact OE2-CE2 3.33Å; E161-Y169 PolarHBondContact OE2-OH 3.43Å
162	N	97.8	Very high	98.2	Very high	147 Å²	147	49.2 Å²	49.2	79%	0.786	25%	0.25	S	C	*	.	H	α-helix	trans	-64.8	-23.3	174.9	-67.4	-26.3	0	0	0	113	R158 Y159 L160 G164	R158-N162 PolarHBondContact O-N 3.32Å; Y159-N162 WeakPolarHBondContact O-CB 3.33Å; Y159-N162 PolarHBondContact O-N 3.03Å; L160-N162 VanDerWaalsContact C-N 3.31Å; L160-N162 PolarHBondContact O-N 3.48Å; N162-G164 VanDerWaalsContact C-N 3.31Å
163	E	97.3	Very high	98.2	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1	172.5	-65.6	-172.7	123	0	0	113.2	H134 Y159 L160 E161 F165	H134-E163 IonicContact CD2-OE2 2.83Å; H134-E163 IonicContact CE1-OE2 3.75Å; H134-E163 IonicContact NE2-OE1 3.71Å; H134-E163 IonicContact NE2-OE2 3.03Å; H134-E163 PolarHBondContact NE2-OE2 3Å; Y159-E163 VanDerWaalsContact CE1-CD 3.45Å; Y159-E163 HydrophobicContact CE1-CG 4.17Å; Y159-E163 VanDerWaalsContact CE1-OE2 3.32Å; Y159-E163 WeakPolarHBondContact CE1-OE2 3.31Å; Y159-E163 PolarHBondContact O-N 3.48Å; L160-E163 CarbonylContact O-C 3.51Å; L160-E163 WeakPolarHBondContact O-CA 3.41Å; L160-E163 WeakPolarHBondContact O-CB 3.42Å; L160-E163 PolarHBondContact O-N 2.89Å; E161-E163 PolarHBondContact O-N 3.44Å; E163-F165 HydrophobicContact CB-CD2 4.08Å; E163-F165 HydrophobicContact CB-CE2 4.26Å
164	G	97.5	Very high	98	Very high	60 Å²	60	56.9 Å²	56.9	62%	0.619	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	11.4	177.2	0	0	0	0	0	115.1	L160 E161 N162	L160-G164 PolarHBondContact O-N 3.46Å; E161-G164 PolarHBondContact O-N 3.22Å; N162-G164 VanDerWaalsContact C-N 3.31Å
165	F	98.4	Very high	97.8	Very high	22 Å²	22	58.3 Å²	58.3	10%	0.096	30%	0.303	C	S	.	.			trans	-74.7	147.8	168.4	-69.1	-96.9	0	0	0	110.6	K137 N141 L160 E161 E163	K137-F165 HydrophobicContact CB-CE1 4.03Å; K137-F165 HydrophobicContact CB-CZ 3.76Å; N141-F165 HydrophobicContact CB-CD1 4.15Å; N141-F165 HydrophobicContact CB-CE1 4.49Å; L160-F165 HydrophobicContact CB-CB 4.01Å; L160-F165 HydrophobicContact CB-CD2 4.04Å; L160-F165 HydrophobicContact CB-CG 4.2Å; L160-F165 HydrophobicContact CD2-CD2 3.88Å; L160-F165 HydrophobicContact CD2-CE2 3.94Å; L160-F165 HydrophobicContact CD2-CG 4.45Å; L160-F165 WeakPolarHBondContact O-CB 3.45Å; L160-F165 WeakPolarHBondContact O-CD2 3.42Å; L160-F165 PolarHBondContact O-N 2.92Å; E161-F165 WeakPolarHBondContact CA-O 3.48Å; E163-F165 HydrophobicContact CB-CD2 4.08Å; E163-F165 HydrophobicContact CB-CE2 4.26Å
166	K	98.5	Very high	97.6	Very high	130 Å²	130	54.8 Å²	54.8	57%	0.565	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.7	167.8	-174.4	-179.1	174.7	179.2	0	109	N141 H142 V143	N141-K166 PolarHBondContact O-N 3.46Å; H142-K166 CarbonylContact C-O 3.55Å; H142-K166 VanDerWaalsContact CA-O 3.31Å; H142-K166 WeakPolarHBondContact CA-O 3.46Å; H142-K166 HydrophobicContact CB-CB 4.45Å; H142-K166 PolarHBondContact CD2-O 2.87Å; V143-K166 PolarHBondContact N-O 3.02Å
167	V	98.8	Very high	97.6	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.2	169.2	-175.1	0	0	0	0	109.9	V143 T145 C157 E161 Y169	V143-V167 HydrophobicContact CB-CG2 4.32Å; V143-V167 CarbonylContact O-C 3.38Å; V143-V167 VanDerWaalsContact O-CA 3.32Å; V143-V167 WeakPolarHBondContact O-CA 3.14Å; T145-V167 HydrophobicContact CG2-CG1 4.15Å; C157-V167 HydrophobicContact CB-CG1 3.88Å; C157-V167 HydrophobicContact CB-CG2 4.1Å; E161-V167 HydrophobicContact CG-CB 3.83Å; E161-V167 HydrophobicContact CG-CG2 3.46Å; E161-V167 VanDerWaalsContact CG-CG2 3.46Å; V167-Y169 HydrophobicContact CB-CE2 3.87Å; V167-Y169 HydrophobicContact CG1-CD1 4.4Å; V167-Y169 HydrophobicContact CG1-CD2 3.98Å; V167-Y169 HydrophobicContact CG1-CE1 4Å; V167-Y169 HydrophobicContact CG1-CE2 3.55Å; V167-Y169 HydrophobicContact CG1-CG 4.39Å
168	T	98.8	Very high	97.6	Very high	37 Å²	37	56.9 Å²	56.9	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.7	170.7	-62.4	0	0	0	0	109	H142 V143 I144 T145 L170 A186	H142-T168 PolarHBondContact NE2-OG1 3.28Å; V143-T168 PolarHBondContact O-N 3.33Å; I144-T168 WeakPolarHBondContact CA-O 3.36Å; T145-T168 PolarHBondContact N-O 3.29Å; T145-T168 VanDerWaalsContact O-O 3.08Å; T168-L170 HydrophobicContact CG2-CD2 3.94Å; T168-L170 HydrophobicContact CG2-CG 4.33Å; T168-A186 HydrophobicContact CG2-CB 4.33Å
169	Y	98.7	Very high	97.6	Very high	57 Å²	57	53 Å²	53	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	95.8	175.6	-59.7	-91.2	0	0	0	109.5	T145 Q147 L154 C157 R158 E161 V167	T145-Y169 HydrophobicContact CG2-CD1 3.34Å; T145-Y169 HydrophobicContact CG2-CE1 3.62Å; T145-Y169 HydrophobicContact CG2-CG 4.15Å; T145-Y169 CarbonylContact O-C 3.56Å; T145-Y169 WeakPolarHBondContact O-CA 3.24Å; Q147-Y169 PolarHBondContact NE2-O 3.21Å; L154-Y169 HydrophobicContact CD2-CD1 3.85Å; L154-Y169 HydrophobicContact CD2-CE1 3.83Å; C157-Y169 HydrophobicContact CB-CE1 3.94Å; C157-Y169 VanDerWaalsContact CB-OH 3.22Å; C157-Y169 WeakPolarHBondContact CB-OH 3.23Å; R158-Y169 WeakPolarHBondContact CG-OH 3.49Å; R158-Y169 PolarHBondContact N-OH 3.19Å; E161-Y169 WeakPolarHBondContact OE2-CE2 3.33Å; E161-Y169 PolarHBondContact OE2-OH 3.43Å; V167-Y169 HydrophobicContact CB-CE2 3.87Å; V167-Y169 HydrophobicContact CG1-CD1 4.4Å; V167-Y169 HydrophobicContact CG1-CD2 3.98Å; V167-Y169 HydrophobicContact CG1-CE1 4Å; V167-Y169 HydrophobicContact CG1-CE2 3.55Å; V167-Y169 HydrophobicContact CG1-CG 4.39Å
170	L	98.6	Very high	97.5	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.2	-178.5	-67.5	175.9	0	0	0	111	I144 T145 T146 Q147 T168 L178 L183 A186	I144-L170 HydrophobicContact CG2-CD1 3.52Å; I144-L170 HydrophobicContact CG2-CG 3.87Å; T145-L170 PolarHBondContact O-N 2.93Å; T146-L170 WeakPolarHBondContact CA-O 3.28Å; Q147-L170 WeakPolarHBondContact CG-O 3.22Å; Q147-L170 PolarHBondContact N-O 3.08Å; T168-L170 HydrophobicContact CG2-CD2 3.94Å; T168-L170 HydrophobicContact CG2-CG 4.33Å; L170-L178 HydrophobicContact CB-CD1 3.8Å; L170-L178 HydrophobicContact CD1-CD1 3.9Å; L170-L178 HydrophobicContact CG-CD1 4.5Å; L170-L183 HydrophobicContact CD1-CB 3.97Å; L170-L183 HydrophobicContact CD1-CD1 3.76Å; L170-L183 HydrophobicContact CD1-CG 4.48Å; L170-A186 HydrophobicContact CD2-CB 4.02Å
171	P	98	Very high	97.5	Very high	47 Å²	47	56.8 Å²	56.8	31%	0.305	31%	0.306	S	S	.	.			trans	-66.5	159.5	168.5	31.8	-35.2	0	0	0	109.9
172	V	97.7	Very high	97.5	Very high	11 Å²	11	58 Å²	58	7%	0.067	31%	0.308	C	S	.	.			trans	-107.8	161.2	169.2	-66.7	0	0	0	0	109.4	T148 A377 I378	T148-V172 HydrophobicContact CG2-CG1 4.15Å; T148-V172 HydrophobicContact CG2-CG2 3.58Å; V172-A377 HydrophobicContact CG2-CB 4.43Å; V172-I378 HydrophobicContact CG2-CG2 3.79Å
173	E	97.1	Very high	97.5	Very high	76 Å²	76	51.1 Å²	51.1	36%	0.355	27%	0.271	S	S	.	.			trans	-70.1	169.1	170.5	-60.4	-53.8	130.9	0	0	110.6	N175 G176 L177 R182	E173-N175 WeakPolarHBondContact CB-OD1 3.36Å; E173-N175 PolarHBondContact O-N 3.27Å; E173-N175 VanDerWaalsContact O-N 3.09Å; E173-G176 WeakPolarHBondContact O-CA 3.32Å; E173-G176 PolarHBondContact O-N 2.88Å; E173-L177 PolarHBondContact N-O 2.95Å; E173-R182 IonicContact OE1-CZ 2.73Å; E173-R182 IonicContact OE1-NH1 3.97Å; E173-R182 PolarHBondContact OE1-NH1 2.89Å
174	S	93.8	Very high	97.6	Very high	96 Å²	96	49.6 Å²	49.6	67%	0.671	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.9	-176.6	56.9	0	0	0	0	114.5	G176 I378	S174-G176 VanDerWaalsContact C-N 3.35Å; S174-I378 WeakPolarHBondContact CA-O 3.26Å
175	N	93.5	Very high	97.6	Very high	44 Å²	44	54.3 Å²	54.3	24%	0.235	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.9	171	67.6	-8.6	0	0	0	113.4	E173 L177 V205 G338 D339	E173-N175 WeakPolarHBondContact CB-OD1 3.36Å; E173-N175 PolarHBondContact O-N 3.27Å; E173-N175 VanDerWaalsContact O-N 3.09Å; N175-L177 WeakPolarHBondContact ND2-CD1 3.44Å; N175-L177 PolarHBondContact OD1-N 2.84Å; N175-L177 VanDerWaalsContact OD1-N 3.12Å; N175-V205 WeakPolarHBondContact O-CG2 3.48Å; N175-G338 CarbonylContact O-C 3.48Å; N175-G338 VanDerWaalsContact O-CA 3.31Å; N175-G338 WeakPolarHBondContact O-CA 3.43Å; N175-D339 HydrophobicContact CB-CB 4.05Å; N175-D339 PolarHBondContact ND2-OD2 3.04Å; N175-D339 PolarHBondContact O-N 3.09Å
176	G	95.8	Very high	97.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	84.1	-0.4	-179.8	0	0	0	0	0	115.7	E173 S174 Q207	E173-G176 WeakPolarHBondContact O-CA 3.32Å; E173-G176 PolarHBondContact O-N 2.88Å; S174-G176 VanDerWaalsContact C-N 3.35Å; G176-Q207 PolarHBondContact O-NE2 3.12Å
177	L	98	Very high	97.6	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.188	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-79	145	176.9	-69.1	177.6	0	0	0	111.8	E173 N175 V205 I206	E173-L177 PolarHBondContact N-O 2.95Å; N175-L177 WeakPolarHBondContact ND2-CD1 3.44Å; N175-L177 PolarHBondContact OD1-N 2.84Å; N175-L177 VanDerWaalsContact OD1-N 3.12Å; L177-V205 HydrophobicContact CD2-CG1 3.62Å; L177-V205 HydrophobicContact CG-CG1 4.21Å; L177-I206 WeakPolarHBondContact CD2-O 3.4Å
178	L	98	Very high	97.6	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-79.1	130.4	172.5	178.4	63.4	0	0	0	110.9	T146 L170 L180 L183 V196 I212	T146-L178 HydrophobicContact CG2-CD1 4.22Å; T146-L178 HydrophobicContact CG2-CD2 4.12Å; L170-L178 HydrophobicContact CB-CD1 3.8Å; L170-L178 HydrophobicContact CD1-CD1 3.9Å; L170-L178 HydrophobicContact CG-CD1 4.5Å; L178-L180 PolarHBondContact O-N 2.98Å; L178-L183 HydrophobicContact CD2-CB 4.27Å; L178-L183 HydrophobicContact CD2-CD2 4.01Å; L178-V196 HydrophobicContact CD2-CG1 4.46Å; L178-V196 HydrophobicContact CD2-CG2 3.95Å; L178-I212 HydrophobicContact CD2-CD1 4.32Å
179	D	97.8	Very high	97.5	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.23	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.9	116.2	167.1	179.3	4	0	0	0	110.8	H181 R182 L183	D179-H181 VanDerWaalsContact C-N 3.3Å; D179-H181 PolarHBondContact O-N 3.23Å; D179-H181 WeakPolarHBondContact OD1-CB 3.47Å; D179-H181 IonicContact OD1-CD2 3.41Å; D179-H181 IonicContact OD1-CG 3.52Å; D179-H181 PolarHBondContact OD1-N 3.45Å; D179-R182 HydrophobicContact CB-CB 4.22Å; D179-R182 HydrophobicContact CB-CG 4.22Å; D179-R182 PolarHBondContact O-N 3.31Å; D179-R182 WeakPolarHBondContact OD2-CG 3.42Å; D179-R182 IonicContact OD2-NE 2.61Å; D179-L183 PolarHBondContact O-N 3.27Å; D179-L183 VanDerWaalsContact O-N 3.12Å
180	L	97.8	Very high	97.5	Very high	48 Å²	48	59 Å²	59	25%	0.251	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-26	-179.4	-63.5	-177.7	0	0	0	113.2	L178 L183 E184 P208 K211 I212	L178-L180 PolarHBondContact O-N 2.98Å; L180-L183 HydrophobicContact CD2-CD2 4.39Å; L180-L183 PolarHBondContact O-N 3.18Å; L180-E184 WeakPolarHBondContact O-CB 3.27Å; L180-E184 PolarHBondContact O-N 3.35Å; L180-P208 HydrophobicContact CD1-CG 4.37Å; L180-P208 HydrophobicContact CD2-CG 4.15Å; L180-P208 HydrophobicContact CG-CG 4.47Å; L180-K211 HydrophobicContact CD1-CB 3.74Å; L180-K211 HydrophobicContact CD1-CD 3.8Å; L180-K211 HydrophobicContact CD1-CG 4.43Å; L180-I212 HydrophobicContact CD2-CD1 4.36Å; L180-I212 HydrophobicContact CD2-CG1 3.56Å
181	H	97.9	Very high	97.4	Very high	138 Å²	138	58.5 Å²	58.5	64%	0.639	30%	0.301	S	S	*	.	H	α-helix	trans	-68.6	-47.1	174.8	-71.4	-69.7	0	0	0	110.6	D179 L183 E184 E185	D179-H181 VanDerWaalsContact C-N 3.3Å; D179-H181 PolarHBondContact O-N 3.23Å; D179-H181 WeakPolarHBondContact OD1-CB 3.47Å; D179-H181 IonicContact OD1-CD2 3.41Å; D179-H181 IonicContact OD1-CG 3.52Å; D179-H181 PolarHBondContact OD1-N 3.45Å; H181-L183 VanDerWaalsContact C-N 3.28Å; H181-L183 PolarHBondContact O-N 3.02Å; H181-E184 PolarHBondContact O-N 3.35Å; H181-E184 VanDerWaalsContact O-N 3.1Å; H181-E185 WeakPolarHBondContact O-CG 3.33Å; H181-E185 PolarHBondContact O-N 3.39Å
182	R	97.8	Very high	97.4	Very high	103 Å²	103	56.2 Å²	56.2	39%	0.389	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-39.8	173	-74.7	178.9	-179.4	159.2	4.5	112.5	E173 D179 A186	E173-R182 IonicContact OE1-CZ 2.73Å; E173-R182 IonicContact OE1-NH1 3.97Å; E173-R182 PolarHBondContact OE1-NH1 2.89Å; D179-R182 HydrophobicContact CB-CB 4.22Å; D179-R182 HydrophobicContact CB-CG 4.22Å; D179-R182 PolarHBondContact O-N 3.31Å; D179-R182 WeakPolarHBondContact OD2-CG 3.42Å; D179-R182 IonicContact OD2-NE 2.61Å; R182-A186 WeakPolarHBondContact O-CB 3.39Å; R182-A186 PolarHBondContact O-N 2.84Å
183	L	98.5	Very high	97.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-46.2	174.1	175	60.9	0	0	0	111.6	I144 L170 L178 D179 L180 H181 E185 A186 I187 V194 I212 L215	I144-L183 HydrophobicContact CG2-CD1 3.86Å; L170-L183 HydrophobicContact CD1-CB 3.97Å; L170-L183 HydrophobicContact CD1-CD1 3.76Å; L170-L183 HydrophobicContact CD1-CG 4.48Å; L178-L183 HydrophobicContact CD2-CB 4.27Å; L178-L183 HydrophobicContact CD2-CD2 4.01Å; D179-L183 PolarHBondContact O-N 3.27Å; D179-L183 VanDerWaalsContact O-N 3.12Å; L180-L183 HydrophobicContact CD2-CD2 4.39Å; L180-L183 PolarHBondContact O-N 3.18Å; H181-L183 VanDerWaalsContact C-N 3.28Å; H181-L183 PolarHBondContact O-N 3.02Å; L183-E185 PolarHBondContact O-N 2.92Å; L183-A186 PolarHBondContact O-N 2.94Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 2.68Å; L183-V194 HydrophobicContact CD1-CG1 3.96Å; L183-V194 HydrophobicContact CD1-CG2 4.14Å; L183-I212 HydrophobicContact CD2-CB 4.47Å; L183-I212 HydrophobicContact CD2-CG1 4.14Å; L183-I212 HydrophobicContact CD2-CG2 3.89Å; L183-L215 HydrophobicContact CB-CD2 4.38Å; L183-L215 HydrophobicContact CD2-CD2 3.84Å; L183-L215 HydrophobicContact CG-CD2 3.84Å
184	E	98.1	Very high	97.6	Very high	56 Å²	56	52.1 Å²	52.1	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-40.5	179.7	-179.4	156	-147.8	0	0	112.5	L180 H181 I187 L215 R219	L180-E184 WeakPolarHBondContact O-CB 3.27Å; L180-E184 PolarHBondContact O-N 3.35Å; H181-E184 PolarHBondContact O-N 3.35Å; H181-E184 VanDerWaalsContact O-N 3.1Å; E184-I187 PolarHBondContact O-N 3.27Å; E184-L215 HydrophobicContact CB-CD1 3.99Å; E184-L215 HydrophobicContact CB-CD2 3.94Å; E184-L215 HydrophobicContact CG-CD1 3.86Å; E184-R219 IonicContact OE1-CZ 2.64Å; E184-R219 IonicContact OE1-NE 2.6Å; E184-R219 PolarHBondContact OE1-NE 2.94Å; E184-R219 IonicContact OE1-NH2 3.34Å; E184-R219 PolarHBondContact OE1-NH2 3.1Å
185	E	98.2	Very high	97.8	Very high	160 Å²	160	47.5 Å²	47.5	75%	0.748	23%	0.234	S	C	*	.	H	α-helix	trans	-67.4	-34.9	176.5	-71.8	179.5	172	0	0	113	H181 L183 I187	H181-E185 WeakPolarHBondContact O-CG 3.33Å; H181-E185 PolarHBondContact O-N 3.39Å; L183-E185 PolarHBondContact O-N 2.92Å; E185-I187 VanDerWaalsContact C-N 3.26Å; E185-I187 PolarHBondContact O-N 3.08Å
186	A	98.4	Very high	98.1	Very high	19 Å²	19	45.5 Å²	45.5	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-71.5	-20.5	178.6	0	0	0	0	0	113.1	H142 I144 T168 L170 R182 L183 T188	H142-A186 PolarHBondContact CE1-O 3.47Å; H142-A186 VanDerWaalsContact CE1-O 3.31Å; I144-A186 HydrophobicContact CD1-CB 3.85Å; I144-A186 WeakPolarHBondContact CD1-O 3.5Å; I144-A186 HydrophobicContact CG1-CB 4.46Å; T168-A186 HydrophobicContact CG2-CB 4.33Å; L170-A186 HydrophobicContact CD2-CB 4.02Å; R182-A186 WeakPolarHBondContact O-CB 3.39Å; R182-A186 PolarHBondContact O-N 2.84Å; L183-A186 PolarHBondContact O-N 2.94Å; A186-T188 PolarHBondContact O-N 3.17Å
187	I	98.5	Very high	98.2	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.072	22%	0.224	C	C	.	.			trans	-71.9	124.7	179.1	-69	166.3	0	0	0	110.7	I144 L183 E184 E185 V194 L215 R219 V221	I144-I187 HydrophobicContact CD1-CB 4.41Å; I144-I187 HydrophobicContact CD1-CG1 3.73Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 2.68Å; E184-I187 PolarHBondContact O-N 3.27Å; E185-I187 VanDerWaalsContact C-N 3.26Å; E185-I187 PolarHBondContact O-N 3.08Å; I187-V194 HydrophobicContact CG1-CG2 4.44Å; I187-L215 HydrophobicContact CD1-CD2 4.26Å; I187-L215 HydrophobicContact CD1-CG 4.09Å; I187-R219 HydrophobicContact CD1-CB 4.37Å; I187-R219 HydrophobicContact CD1-CG 4.17Å; I187-R219 HydrophobicContact CG2-CB 3.85Å; I187-R219 HydrophobicContact CG2-CG 4.1Å; I187-V221 HydrophobicContact CG2-CG2 3.77Å
188	T	97.9	Very high	98.2	Very high	62 Å²	62	44.1 Å²	44.1	38%	0.38	22%	0.216	S	C	.	.			trans	-122	170	175.6	70.3	0	0	0	0	110.7	A186 K190 T191	A186-T188 PolarHBondContact O-N 3.17Å; T188-K190 PolarHBondContact O-N 2.82Å; T188-K190 VanDerWaalsContact O-N 3.1Å; T188-K190 PolarHBondContact OG1-N 3.48Å; T188-T191 PolarHBondContact N-OG1 2.77Å; T188-T191 WeakPolarHBondContact O-CB 3.28Å; T188-T191 PolarHBondContact O-N 2.84Å; T188-T191 PolarHBondContact O-OG1 3.35Å; T188-T191 PolarHBondContact OG1-N 2.88Å; T188-T191 PolarHBondContact OG1-OG1 3.28Å
189	D	96.9	Very high	98.2	Very high	152 Å²	152	43.7 Å²	43.7	81%	0.813	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	173.8	-68	-25.3	0	0	0	113	K140	K140-D189 PolarHBondContact NZ-O 3.15Å
190	K	98	Very high	98.2	Very high	113 Å²	113	41.9 Å²	41.9	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.8	176.8	-62.4	-63.6	-179.5	178.9	0	113.7	K139 K140 N141 H142 T188 S192	K139-K190 WeakPolarHBondContact O-CD 3.48Å; K140-K190 CarbonylContact C-O 3.56Å; K140-K190 WeakPolarHBondContact CA-O 3.43Å; K140-K190 VanDerWaalsContact CB-O 3.23Å; K140-K190 WeakPolarHBondContact CB-O 3.47Å; N141-K190 PolarHBondContact N-O 2.91Å; N141-K190 VanDerWaalsContact N-O 3.08Å; H142-K190 HydrophobicContact CB-CB 4.24Å; H142-K190 PolarHBondContact N-O 3.31Å; T188-K190 PolarHBondContact O-N 2.82Å; T188-K190 VanDerWaalsContact O-N 3.1Å; T188-K190 PolarHBondContact OG1-N 3.48Å; K190-S192 PolarHBondContact O-N 2.9Å
191	T	98.6	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	120.1	178.6	-53	0	0	0	0	110.6	K140 H142 I144 T188 V194 V221	K140-T191 WeakPolarHBondContact CD-O 3.25Å; K140-T191 PolarHBondContact NZ-O 3.29Å; H142-T191 PolarHBondContact ND1-OG1 2.9Å; H142-T191 CarbonylContact O-C 3.56Å; H142-T191 VanDerWaalsContact O-CA 3.29Å; H142-T191 WeakPolarHBondContact O-CA 3.43Å; I144-T191 HydrophobicContact CD1-CG2 3.76Å; I144-T191 HydrophobicContact CG1-CG2 4.03Å; T188-T191 PolarHBondContact N-OG1 2.77Å; T188-T191 WeakPolarHBondContact O-CB 3.28Å; T188-T191 PolarHBondContact O-N 2.84Å; T188-T191 PolarHBondContact O-OG1 3.35Å; T188-T191 PolarHBondContact OG1-N 2.88Å; T188-T191 PolarHBondContact OG1-OG1 3.28Å; T191-V194 HydrophobicContact CG2-CG2 4.49Å; T191-V221 HydrophobicContact CG2-CG1 3.63Å; T191-V221 HydrophobicContact CG2-CG2 4.25Å
192	S	97.6	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-41.7	173.2	51.8	0	0	0	0	112.2	H142 K190 F222	H142-S192 PolarHBondContact O-N 3.18Å; H142-S192 PolarHBondContact O-OG 3.15Å; K190-S192 PolarHBondContact O-N 2.9Å; S192-F222 WeakPolarHBondContact O-CB 3.33Å; S192-F222 WeakPolarHBondContact O-CD2 3.48Å; S192-F222 PolarHBondContact O-N 2.96Å; S192-F222 VanDerWaalsContact O-N 3.11Å
193	L	98.7	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137	-169.1	-174	68.1	0	0	0	111.4	I129 V132 T133 V143 I144 F222 H224 L245	I129-L193 HydrophobicContact CB-CD2 4.2Å; I129-L193 HydrophobicContact CG1-CD2 3.98Å; I129-L193 HydrophobicContact CG2-CD2 4.33Å; V132-L193 HydrophobicContact CB-CD1 4.49Å; V132-L193 HydrophobicContact CG1-CB 4.31Å; V132-L193 HydrophobicContact CG1-CD1 4.33Å; V132-L193 HydrophobicContact CG2-CD1 4.34Å; T133-L193 HydrophobicContact CG2-CB 4.49Å; V143-L193 WeakPolarHBondContact CA-O 3.47Å; V143-L193 HydrophobicContact CG1-CB 4.38Å; I144-L193 PolarHBondContact N-O 3.44Å; L193-F222 WeakPolarHBondContact CA-O 3.2Å; L193-F222 HydrophobicContact CD1-CB 4.02Å; L193-H224 HydrophobicContact CD1-CB 3.82Å; L193-H224 HydrophobicContact CG-CB 4.48Å; L193-L245 HydrophobicContact CD1-CD1 4.31Å
194	V	98.9	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130	159.4	171.4	0	0	0	0	107.4	I144 L183 I187 T191 V196 I212 V221 F222 F223 H224	I144-V194 HydrophobicContact CB-CG2 4.14Å; I144-V194 HydrophobicContact CD1-CG2 4.28Å; I144-V194 CarbonylContact O-C 3.33Å; I144-V194 WeakPolarHBondContact O-CA 3.19Å; L183-V194 HydrophobicContact CD1-CG1 3.96Å; L183-V194 HydrophobicContact CD1-CG2 4.14Å; I187-V194 HydrophobicContact CG1-CG2 4.44Å; T191-V194 HydrophobicContact CG2-CG2 4.49Å; V194-V196 HydrophobicContact CG1-CG2 3.92Å; V194-I212 HydrophobicContact CG1-CG2 4.33Å; V194-V221 HydrophobicContact CG2-CG1 3.9Å; V194-F222 PolarHBondContact N-O 3.35Å; V194-F223 HydrophobicContact CB-CD2 4.41Å; V194-F223 HydrophobicContact CG1-CD2 4.17Å; V194-F223 HydrophobicContact CG1-CE2 4.44Å; V194-H224 PolarHBondContact O-N 3.47Å
195	S	98.9	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.8	174.2	-174.5	0	0	0	0	110.2	I144 T145 H224	I144-S195 PolarHBondContact O-N 2.91Å; T145-S195 WeakPolarHBondContact CA-O 3.37Å; T145-S195 PolarHBondContact OG1-O 3.31Å; S195-H224 WeakPolarHBondContact CA-O 3.48Å; S195-H224 PolarHBondContact OG-ND1 3.4Å
196	V	98.8	Very high	97.3	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.107	C	C	.	.			trans	-139.8	120.8	175.1	-176.1	0	0	0	0	109.2	T146 L178 V194 Q207 I212 F223 H224 T225	T146-V196 HydrophobicContact CG2-CB 4.49Å; T146-V196 HydrophobicContact CG2-CG1 4.04Å; T146-V196 HydrophobicContact CG2-CG2 3.99Å; L178-V196 HydrophobicContact CD2-CG1 4.46Å; L178-V196 HydrophobicContact CD2-CG2 3.95Å; V194-V196 HydrophobicContact CG1-CG2 3.92Å; V196-Q207 HydrophobicContact CG1-CB 3.95Å; V196-Q207 HydrophobicContact CG1-CG 3.72Å; V196-I212 HydrophobicContact CB-CD1 4.25Å; V196-I212 HydrophobicContact CG1-CD1 3.94Å; V196-I212 HydrophobicContact CG2-CD1 4.4Å; V196-F223 HydrophobicContact CB-CE2 4.14Å; V196-H224 PolarHBondContact N-O 2.89Å; V196-H224 VanDerWaalsContact N-O 3.09Å; V196-T225 VanDerWaalsContact O-CA 3.26Å; V196-T225 WeakPolarHBondContact O-CA 3.45Å; V196-T225 WeakPolarHBondContact O-CB 3.43Å; V196-T225 PolarHBondContact O-OG1 3.39Å
197	M	98.7	Very high	97.3	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.025	10%	0.101	C	C	.	.			trans	-65.7	145.9	179.2	73.5	-170.8	-43	0	0	112	E149 H150 V199 N200 Q207 D226	E149-M197 VanDerWaalsContact CD-N 3.34Å; E149-M197 WeakPolarHBondContact OE1-CB 3.06Å; E149-M197 VanDerWaalsContact OE1-CG 3.28Å; E149-M197 WeakPolarHBondContact OE1-CG 3.41Å; E149-M197 PolarHBondContact OE1-N 3.02Å; E149-M197 PolarHBondContact OE2-N 3.23Å; H150-M197 HydrophobicContact CB-CE 4.38Å; M197-V199 WeakPolarHBondContact CE-O 3.34Å; M197-N200 HydrophobicContact SD-CB 4.11Å; M197-N200 PolarHBondContact SD-ND2 3.29Å; M197-Q207 WeakPolarHBondContact O-CG 3.48Å; M197-D226 HydrophobicContact CB-CB 3.81Å
198	T	98.6	Very high	97.2	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	11%	0.109	C	C	.	.	S	Bend	trans	-72.9	-49.9	-177	-57.3	0	0	0	0	111.9	I206 Q207 I209 T225 D226 A230 I234 M236	T198-I206 WeakPolarHBondContact O-CA 3.27Å; T198-Q207 PolarHBondContact O-N 2.91Å; T198-I209 HydrophobicContact CG2-CG1 3.88Å; T198-T225 PolarHBondContact N-OG1 3.3Å; T198-T225 PolarHBondContact OG1-OG1 2.8Å; T198-D226 PolarHBondContact N-O 2.9Å; T198-A230 HydrophobicContact CG2-CB 3.37Å; T198-I234 HydrophobicContact CG2-CD1 4.04Å; T198-M236 HydrophobicContact CG2-CE 3.8Å; T198-M236 HydrophobicContact CG2-SD 3.96Å
199	V	98.1	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-126.6	122.4	178.4	173	0	0	0	0	107.5	M197 V205 I206 Q229 A230 I234	M197-V199 WeakPolarHBondContact CE-O 3.34Å; V199-V205 WeakPolarHBondContact CA-O 3.38Å; V199-I206 HydrophobicContact CG2-CG1 4.13Å; V199-Q229 HydrophobicContact CB-CB 3.83Å; V199-Q229 HydrophobicContact CG1-CB 3.82Å; V199-A230 HydrophobicContact CB-CB 4.24Å; V199-A230 HydrophobicContact CG2-CB 3.64Å; V199-I234 HydrophobicContact CG2-CD1 4.03Å
200	N	97.3	Very high	97.3	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	7%	0.07	C	C	.	.			trans	-66.4	135.7	175.3	-176.5	-86.6	0	0	0	110.8	T148 M197 E202 I203 G204 V205	T148-N200 PolarHBondContact O-ND2 3.29Å; M197-N200 HydrophobicContact SD-CB 4.11Å; M197-N200 PolarHBondContact SD-ND2 3.29Å; N200-E202 PolarHBondContact O-N 3.33Å; N200-E202 WeakPolarHBondContact OD1-CA 3.32Å; N200-E202 PolarHBondContact OD1-N 2.83Å; N200-I203 HydrophobicContact CB-CG1 3.98Å; N200-I203 WeakPolarHBondContact OD1-CG1 3.31Å; N200-I203 PolarHBondContact OD1-N 3.46Å; N200-G204 WeakPolarHBondContact O-CA 3.36Å; N200-G204 PolarHBondContact O-N 2.65Å; N200-G204 VanDerWaalsContact O-N 3.1Å; N200-V205 PolarHBondContact N-O 3.23Å
201	N	94.7	Very high	97.3	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.032	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.4	-174.5	62.1	-96.5	0	0	0	115.7	Q229 R390	N201-Q229 HydrophobicContact CB-CG 3.7Å; N201-R390 WeakPolarHBondContact O-CD 3.5Å; N201-R390 PolarHBondContact O-NH1 2.85Å
202	E	91.2	Very high	97.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-44.8	178.6	-57.5	-162.7	-166.5	0	0	111.7	N200 S362 S372 V374	N200-E202 PolarHBondContact O-N 3.33Å; N200-E202 WeakPolarHBondContact OD1-CA 3.32Å; N200-E202 PolarHBondContact OD1-N 2.83Å; E202-S362 WeakPolarHBondContact OE1-CB 3.35Å; E202-S362 PolarHBondContact OE1-OG 3.15Å; E202-S372 WeakPolarHBondContact OE2-CB 3.45Å; E202-S372 PolarHBondContact OE2-OG 2.9Å; E202-V374 HydrophobicContact CB-CB 4.46Å; E202-V374 HydrophobicContact CB-CG1 4.39Å; E202-V374 HydrophobicContact CB-CG2 4.46Å; E202-V374 HydrophobicContact CG-CG2 4.15Å
203	I	92.7	Very high	97.4	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.9	-174	61.8	171	0	0	0	114.3	N200 V205 N337 R343 L349 V374 L375 I378	N200-I203 HydrophobicContact CB-CG1 3.98Å; N200-I203 WeakPolarHBondContact OD1-CG1 3.31Å; N200-I203 PolarHBondContact OD1-N 3.46Å; I203-V205 HydrophobicContact CB-CG2 4.46Å; I203-V205 HydrophobicContact CD1-CB 4.14Å; I203-V205 HydrophobicContact CD1-CG2 3.53Å; I203-V205 HydrophobicContact CG1-CB 4.18Å; I203-V205 HydrophobicContact CG1-CG2 3.75Å; I203-V205 PolarHBondContact O-N 3.21Å; I203-N337 HydrophobicContact CG2-CB 3.93Å; I203-R343 PolarHBondContact O-NH1 3.26Å; I203-R343 PolarHBondContact O-NH2 3.18Å; I203-L349 HydrophobicContact CG2-CD2 4.46Å; I203-V374 HydrophobicContact CD1-CG1 4.2Å; I203-V374 HydrophobicContact CG1-CG1 4.26Å; I203-V374 HydrophobicContact CG2-CG1 4.24Å; I203-L375 HydrophobicContact CG2-CD2 3.9Å; I203-I378 HydrophobicContact CD1-CG2 4.27Å
204	G	95	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.			trans	72	2.7	176.7	0	0	0	0	0	116.3	N200 I206 R343 Y344 E347	N200-G204 WeakPolarHBondContact O-CA 3.36Å; N200-G204 PolarHBondContact O-N 2.65Å; N200-G204 VanDerWaalsContact O-N 3.1Å; G204-I206 PolarHBondContact O-N 3.34Å; G204-R343 CarbonylContact O-C 3.36Å; G204-R343 VanDerWaalsContact O-CA 3.25Å; G204-R343 WeakPolarHBondContact O-CA 3.37Å; G204-Y344 PolarHBondContact O-N 3Å; G204-E347 WeakPolarHBondContact CA-OE2 3.48Å; G204-E347 PolarHBondContact N-OE2 2.87Å
205	V	97.2	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-62.7	132.3	-177.2	172.8	0	0	0	0	111	N175 L177 V199 N200 I203 D339 S342	N175-V205 WeakPolarHBondContact O-CG2 3.48Å; L177-V205 HydrophobicContact CD2-CG1 3.62Å; L177-V205 HydrophobicContact CG-CG1 4.21Å; V199-V205 WeakPolarHBondContact CA-O 3.38Å; N200-V205 PolarHBondContact N-O 3.23Å; I203-V205 HydrophobicContact CB-CG2 4.46Å; I203-V205 HydrophobicContact CD1-CB 4.14Å; I203-V205 HydrophobicContact CD1-CG2 3.53Å; I203-V205 HydrophobicContact CG1-CB 4.18Å; I203-V205 HydrophobicContact CG1-CG2 3.75Å; I203-V205 PolarHBondContact O-N 3.21Å; V205-D339 HydrophobicContact CG2-CB 4.39Å; V205-S342 CarbonylContact C-O 3.54Å; V205-S342 WeakPolarHBondContact CA-O 3.34Å
206	I	98.2	Very high	97.3	Very high	41 Å²	41	19.9 Å²	19.9	21%	0.21	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-95.2	115.6	176.9	-52.2	-178.7	0	0	0	108.6	L177 T198 V199 G204 I234 S342	L177-I206 WeakPolarHBondContact CD2-O 3.4Å; T198-I206 WeakPolarHBondContact O-CA 3.27Å; V199-I206 HydrophobicContact CG2-CG1 4.13Å; G204-I206 PolarHBondContact O-N 3.34Å; I206-I234 HydrophobicContact CD1-CD1 4.37Å; I206-I234 HydrophobicContact CG2-CD1 4.33Å; I206-S342 PolarHBondContact N-O 3.22Å
207	Q	98.6	Very high	97.2	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.033	11%	0.11	C	C	.	.			trans	-74.4	151.8	174.6	-64.9	-66.4	-6.8	0	0	110.9	G176 V196 M197 T198 I209 I212	G176-Q207 PolarHBondContact O-NE2 3.12Å; V196-Q207 HydrophobicContact CG1-CB 3.95Å; V196-Q207 HydrophobicContact CG1-CG 3.72Å; M197-Q207 WeakPolarHBondContact O-CG 3.48Å; T198-Q207 PolarHBondContact O-N 2.91Å; Q207-I209 HydrophobicContact CB-CD1 3.88Å; Q207-I209 HydrophobicContact CB-CG1 4.5Å; Q207-I209 WeakPolarHBondContact O-CG1 3.47Å; Q207-I209 PolarHBondContact O-N 3.47Å; Q207-I212 HydrophobicContact CB-CD1 4.32Å
208	P	97.8	Very high	97.1	Very high	38 Å²	38	30.6 Å²	30.6	25%	0.247	14%	0.136	C	C	.	.			trans	-76.7	66.2	179.8	32.6	-36.8	0	0	0	112	L180 E210 K211 I212	L180-P208 HydrophobicContact CD1-CG 4.37Å; L180-P208 HydrophobicContact CD2-CG 4.15Å; L180-P208 HydrophobicContact CG-CG 4.47Å; P208-E210 VanDerWaalsContact C-N 3.3Å; P208-E210 PolarHBondContact O-N 3.31Å; P208-K211 HydrophobicContact CB-CB 4.41Å; P208-K211 HydrophobicContact CB-CD 4.27Å; P208-K211 PolarHBondContact O-N 2.98Å; P208-K211 VanDerWaalsContact O-N 3.08Å; P208-I212 HydrophobicContact CG-CD1 4.3Å; P208-I212 HydrophobicContact CG-CG1 4.48Å; P208-I212 WeakPolarHBondContact O-CG1 3.5Å; P208-I212 PolarHBondContact O-N 2.78Å
209	I	98.4	Very high	97	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-38.3	-170.9	-61.5	-54.1	0	0	0	113.3	T198 Q207 I212 G213 F223 L241 V243	T198-I209 HydrophobicContact CG2-CG1 3.88Å; Q207-I209 HydrophobicContact CB-CD1 3.88Å; Q207-I209 HydrophobicContact CB-CG1 4.5Å; Q207-I209 WeakPolarHBondContact O-CG1 3.47Å; Q207-I209 PolarHBondContact O-N 3.47Å; I209-I212 HydrophobicContact CD1-CD1 4.35Å; I209-I212 PolarHBondContact O-N 2.93Å; I209-G213 PolarHBondContact O-N 3Å; I209-F223 HydrophobicContact CD1-CZ 3.94Å; I209-F223 HydrophobicContact CG2-CE1 3.66Å; I209-F223 HydrophobicContact CG2-CZ 3.96Å; I209-L241 HydrophobicContact CB-CD2 4.43Å; I209-L241 HydrophobicContact CG2-CB 4.21Å; I209-L241 HydrophobicContact CG2-CD1 4.28Å; I209-L241 HydrophobicContact CG2-CD2 4.24Å; I209-L241 HydrophobicContact CG2-CG 4.48Å; I209-V243 HydrophobicContact CG2-CG1 3.87Å
210	E	98	Very high	96.9	Very high	74 Å²	74	44.5 Å²	44.5	35%	0.346	19%	0.193	S	C	.	.	H	α-helix	trans	-60.3	-48	177.2	-172.2	166.4	-161.5	0	0	111.4	P208 I212 G213 E214 K240 L241	P208-E210 VanDerWaalsContact C-N 3.3Å; P208-E210 PolarHBondContact O-N 3.31Å; E210-I212 PolarHBondContact O-N 3.45Å; E210-G213 PolarHBondContact O-N 3.23Å; E210-E214 WeakPolarHBondContact O-CG 3.28Å; E210-E214 PolarHBondContact O-N 2.92Å; E210-K240 WeakPolarHBondContact OE1-CE 3.19Å; E210-L241 HydrophobicContact CB-CD2 4.1Å
211	K	98.2	Very high	96.9	Very high	131 Å²	131	44.5 Å²	44.5	57%	0.57	19%	0.193	S	C	*	.	H	α-helix	trans	-65.7	-39.3	178.3	-61.7	-177.6	-179.1	176.7	0	112.1	L180 P208 E214 L215	L180-K211 HydrophobicContact CD1-CB 3.74Å; L180-K211 HydrophobicContact CD1-CD 3.8Å; L180-K211 HydrophobicContact CD1-CG 4.43Å; P208-K211 HydrophobicContact CB-CB 4.41Å; P208-K211 HydrophobicContact CB-CD 4.27Å; P208-K211 PolarHBondContact O-N 2.98Å; P208-K211 VanDerWaalsContact O-N 3.08Å; K211-E214 PolarHBondContact O-N 2.87Å; K211-L215 WeakPolarHBondContact O-CB 3.4Å; K211-L215 PolarHBondContact O-N 3.43Å
212	I	98.6	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-44.7	176.8	-65.4	167.3	0	0	0	110.1	L178 L180 L183 V194 V196 Q207 P208 I209 E210 L215 C216 F223	L178-I212 HydrophobicContact CD2-CD1 4.32Å; L180-I212 HydrophobicContact CD2-CD1 4.36Å; L180-I212 HydrophobicContact CD2-CG1 3.56Å; L183-I212 HydrophobicContact CD2-CB 4.47Å; L183-I212 HydrophobicContact CD2-CG1 4.14Å; L183-I212 HydrophobicContact CD2-CG2 3.89Å; V194-I212 HydrophobicContact CG1-CG2 4.33Å; V196-I212 HydrophobicContact CB-CD1 4.25Å; V196-I212 HydrophobicContact CG1-CD1 3.94Å; V196-I212 HydrophobicContact CG2-CD1 4.4Å; Q207-I212 HydrophobicContact CB-CD1 4.32Å; P208-I212 HydrophobicContact CG-CD1 4.3Å; P208-I212 HydrophobicContact CG-CG1 4.48Å; P208-I212 WeakPolarHBondContact O-CG1 3.5Å; P208-I212 PolarHBondContact O-N 2.78Å; I209-I212 HydrophobicContact CD1-CD1 4.35Å; I209-I212 PolarHBondContact O-N 2.93Å; E210-I212 PolarHBondContact O-N 3.45Å; I212-L215 PolarHBondContact O-N 2.95Å; I212-C216 WeakPolarHBondContact O-CB 3.36Å; I212-C216 PolarHBondContact O-N 3.25Å; I212-C216 PolarHBondContact O-SG 3.26Å; I212-F223 HydrophobicContact CB-CE1 4.15Å; I212-F223 HydrophobicContact CB-CE2 4.42Å; I212-F223 HydrophobicContact CB-CZ 3.89Å; I212-F223 HydrophobicContact CG2-CD1 4.37Å; I212-F223 HydrophobicContact CG2-CD2 3.93Å; I212-F223 HydrophobicContact CG2-CE1 3.86Å; I212-F223 HydrophobicContact CG2-CE2 3.43Å; I212-F223 VanDerWaalsContact CG2-CE2 3.43Å; I212-F223 HydrophobicContact CG2-CG 4.4Å; I212-F223 HydrophobicContact CG2-CZ 3.38Å
213	G	98.3	Very high	97.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-44.2	177.9	0	0	0	0	0	112.5	I209 E210 L215 C216 R217 F223 T242	I209-G213 PolarHBondContact O-N 3Å; E210-G213 PolarHBondContact O-N 3.23Å; G213-L215 PolarHBondContact O-N 3.47Å; G213-C216 PolarHBondContact O-N 3.36Å; G213-R217 WeakPolarHBondContact O-CB 3.28Å; G213-R217 PolarHBondContact O-N 2.88Å; G213-F223 VanDerWaalsContact CA-CD1 3.43Å; G213-T242 WeakPolarHBondContact CA-OG1 3.34Å; G213-T242 PolarHBondContact O-OG1 3.15Å
214	E	97.9	Very high	97.8	Very high	90 Å²	90	45.8 Å²	45.8	42%	0.421	20%	0.199	S	C	.	.	H	α-helix	trans	-59.1	-46.5	175.2	-74.5	178.6	176.4	0	0	111.6	E210 K211 R217 R218 T242	E210-E214 WeakPolarHBondContact O-CG 3.28Å; E210-E214 PolarHBondContact O-N 2.92Å; K211-E214 PolarHBondContact O-N 2.87Å; E214-R217 PolarHBondContact O-N 2.85Å; E214-R218 WeakPolarHBondContact O-CG 3.17Å; E214-R218 PolarHBondContact O-N 3.41Å; E214-T242 PolarHBondContact N-OG1 3.3Å
215	L	98.1	Very high	98	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-49.3	176.4	173.4	61.6	0	0	0	111.3	L183 E184 I187 K211 I212 G213 R217 R218 R219	L183-L215 HydrophobicContact CB-CD2 4.38Å; L183-L215 HydrophobicContact CD2-CD2 3.84Å; L183-L215 HydrophobicContact CG-CD2 3.84Å; E184-L215 HydrophobicContact CB-CD1 3.99Å; E184-L215 HydrophobicContact CB-CD2 3.94Å; E184-L215 HydrophobicContact CG-CD1 3.86Å; I187-L215 HydrophobicContact CD1-CD2 4.26Å; I187-L215 HydrophobicContact CD1-CG 4.09Å; K211-L215 WeakPolarHBondContact O-CB 3.4Å; K211-L215 PolarHBondContact O-N 3.43Å; I212-L215 PolarHBondContact O-N 2.95Å; G213-L215 PolarHBondContact O-N 3.47Å; L215-R217 VanDerWaalsContact C-N 3.34Å; L215-R217 PolarHBondContact O-N 2.75Å; L215-R218 PolarHBondContact O-N 3.16Å; L215-R219 HydrophobicContact CD1-CG 4.04Å; L215-R219 WeakPolarHBondContact O-CB 3.35Å; L215-R219 WeakPolarHBondContact O-CG 3.47Å; L215-R219 PolarHBondContact O-N 3.34Å
216	C	98.2	Very high	98.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-43.4	178.5	-67.6	0	0	0	0	111.6	I212 G213 R219 K220 V221 F223	I212-C216 WeakPolarHBondContact O-CB 3.36Å; I212-C216 PolarHBondContact O-N 3.25Å; I212-C216 PolarHBondContact O-SG 3.26Å; G213-C216 PolarHBondContact O-N 3.36Å; C216-R219 CarbonylContact O-C 3.53Å; C216-R219 PolarHBondContact O-N 3.35Å; C216-K220 PolarHBondContact O-N 2.86Å; C216-V221 CarbonylContact C-O 3.35Å; C216-V221 PolarHBondContact O-N 3.43Å; C216-F223 HydrophobicContact CB-CB 3.86Å
217	R	96.8	Very high	98.1	Very high	80 Å²	80	44.1 Å²	44.1	30%	0.302	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-46.7	177.4	-174.9	66.3	65.4	-153.9	-3.3	111.6	G213 E214 L215 R219 K220 T242 D244	G213-R217 WeakPolarHBondContact O-CB 3.28Å; G213-R217 PolarHBondContact O-N 2.88Å; E214-R217 PolarHBondContact O-N 2.85Å; L215-R217 VanDerWaalsContact C-N 3.34Å; L215-R217 PolarHBondContact O-N 2.75Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 2.87Å; R217-K220 PolarHBondContact O-N 3.16Å; R217-K220 VanDerWaalsContact O-N 3.14Å; R217-T242 PolarHBondContact NH2-O 3.11Å; R217-D244 IonicContact CZ-OD1 2.67Å; R217-D244 IonicContact NH1-OD1 2.69Å; R217-D244 PolarHBondContact NH1-OD1 2.96Å; R217-D244 IonicContact NH1-OD2 3.45Å; R217-D244 IonicContact NH2-OD1 3.97Å; R217-D244 PolarHBondContact NH2-OD1 3.33Å; R217-D244 IonicContact NH2-OD2 2.9Å
218	R	96.9	Very high	98.1	Very high	152 Å²	152	44.2 Å²	44.2	57%	0.574	19%	0.192	S	C	*	.	H	α-helix	trans	-59.1	-41.2	176.6	-71.8	-167.2	-44.5	-104.3	4.9	111.6	E214 L215 K220	E214-R218 WeakPolarHBondContact O-CG 3.17Å; E214-R218 PolarHBondContact O-N 3.41Å; L215-R218 PolarHBondContact O-N 3.16Å; R218-K220 VanDerWaalsContact C-N 3.3Å; R218-K220 PolarHBondContact O-N 2.8Å
219	R	97	Very high	98.1	Very high	114 Å²	114	42.6 Å²	42.6	43%	0.43	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.9	179.4	-62.4	-66.9	-170.8	135.7	-3.7	114	E184 I187 L215 C216 R217 V221	E184-R219 IonicContact OE1-CZ 2.64Å; E184-R219 IonicContact OE1-NE 2.6Å; E184-R219 PolarHBondContact OE1-NE 2.94Å; E184-R219 IonicContact OE1-NH2 3.34Å; E184-R219 PolarHBondContact OE1-NH2 3.1Å; I187-R219 HydrophobicContact CD1-CB 4.37Å; I187-R219 HydrophobicContact CD1-CG 4.17Å; I187-R219 HydrophobicContact CG2-CB 3.85Å; I187-R219 HydrophobicContact CG2-CG 4.1Å; L215-R219 HydrophobicContact CD1-CG 4.04Å; L215-R219 WeakPolarHBondContact O-CB 3.35Å; L215-R219 WeakPolarHBondContact O-CG 3.47Å; L215-R219 PolarHBondContact O-N 3.34Å; C216-R219 CarbonylContact O-C 3.53Å; C216-R219 PolarHBondContact O-N 3.35Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 2.87Å; R219-V221 VanDerWaalsContact C-N 3.3Å; R219-V221 HydrophobicContact CB-CG2 4.2Å; R219-V221 PolarHBondContact O-N 3.48Å
220	K	96.4	Very high	98	Very high	180 Å²	180	42.2 Å²	42.2	78%	0.783	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	42.4	-178.1	-55.6	176	-177.5	172.8	0	113	C216 R217 R218	C216-K220 PolarHBondContact O-N 2.86Å; R217-K220 PolarHBondContact O-N 3.16Å; R217-K220 VanDerWaalsContact O-N 3.14Å; R218-K220 VanDerWaalsContact C-N 3.3Å; R218-K220 PolarHBondContact O-N 2.8Å
221	V	98	Very high	98.1	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.024	16%	0.163	C	C	.	.			trans	-110.6	141.6	174.5	-179.4	0	0	0	0	108.4	I187 T191 V194 C216 R219	I187-V221 HydrophobicContact CG2-CG2 3.77Å; T191-V221 HydrophobicContact CG2-CG1 3.63Å; T191-V221 HydrophobicContact CG2-CG2 4.25Å; V194-V221 HydrophobicContact CG2-CG1 3.9Å; C216-V221 CarbonylContact C-O 3.35Å; C216-V221 PolarHBondContact O-N 3.43Å; R219-V221 VanDerWaalsContact C-N 3.3Å; R219-V221 HydrophobicContact CB-CG2 4.2Å; R219-V221 PolarHBondContact O-N 3.48Å
222	F	98.6	Very high	98	Very high	36 Å²	36	32.8 Å²	32.8	16%	0.158	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.8	175.7	-64.6	-63.8	0	0	0	110.6	V132 Y136 S192 L193 V194 D244 V270	V132-F222 HydrophobicContact CG1-CB 4.41Å; V132-F222 HydrophobicContact CG1-CD2 3.77Å; V132-F222 HydrophobicContact CG1-CG 4.41Å; Y136-F222 HydrophobicContact CD1-CE2 4.43Å; Y136-F222 HydrophobicContact CD2-CD2 4.31Å; Y136-F222 AromaticContact CD2-CE2 3.73Å; Y136-F222 HydrophobicContact CD2-CE2 3.73Å; Y136-F222 HydrophobicContact CE1-CE2 4.02Å; Y136-F222 HydrophobicContact CE1-CZ 4.31Å; Y136-F222 HydrophobicContact CE2-CD2 4.09Å; Y136-F222 AromaticContact CE2-CE2 3.26Å; Y136-F222 HydrophobicContact CE2-CE2 3.26Å; Y136-F222 AromaticContact CE2-CZ 3.82Å; Y136-F222 HydrophobicContact CE2-CZ 3.82Å; Y136-F222 HydrophobicContact CG-CE2 4.31Å; Y136-F222 AromaticContact CZ-CE2 3.43Å; Y136-F222 VanDerWaalsContact CZ-CE2 3.43Å; Y136-F222 AromaticContact CZ-CZ 3.6Å; Y136-F222 WeakPolarHBondContact OH-CZ 3.3Å; S192-F222 WeakPolarHBondContact O-CB 3.33Å; S192-F222 WeakPolarHBondContact O-CD2 3.48Å; S192-F222 PolarHBondContact O-N 2.96Å; S192-F222 VanDerWaalsContact O-N 3.11Å; L193-F222 WeakPolarHBondContact CA-O 3.2Å; L193-F222 HydrophobicContact CD1-CB 4.02Å; V194-F222 PolarHBondContact N-O 3.35Å; F222-D244 WeakPolarHBondContact CA-OD2 3.43Å; F222-D244 HydrophobicContact CB-CB 4.37Å; F222-D244 HydrophobicContact CD1-CB 4.12Å; F222-V270 HydrophobicContact CD1-CG1 4.35Å; F222-V270 HydrophobicContact CD1-CG2 3.94Å; F222-V270 HydrophobicContact CE1-CB 4.45Å; F222-V270 HydrophobicContact CE1-CG1 4.42Å; F222-V270 HydrophobicContact CE1-CG2 3.92Å
223	F	98.8	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.6	177.1	-178.7	-145.9	0	0	0	112.2	V194 V196 I209 I212 G213 C216 V243 D244 L245	V194-F223 HydrophobicContact CB-CD2 4.41Å; V194-F223 HydrophobicContact CG1-CD2 4.17Å; V194-F223 HydrophobicContact CG1-CE2 4.44Å; V196-F223 HydrophobicContact CB-CE2 4.14Å; I209-F223 HydrophobicContact CD1-CZ 3.94Å; I209-F223 HydrophobicContact CG2-CE1 3.66Å; I209-F223 HydrophobicContact CG2-CZ 3.96Å; I212-F223 HydrophobicContact CB-CE1 4.15Å; I212-F223 HydrophobicContact CB-CE2 4.42Å; I212-F223 HydrophobicContact CB-CZ 3.89Å; I212-F223 HydrophobicContact CG2-CD1 4.37Å; I212-F223 HydrophobicContact CG2-CD2 3.93Å; I212-F223 HydrophobicContact CG2-CE1 3.86Å; I212-F223 HydrophobicContact CG2-CE2 3.43Å; I212-F223 VanDerWaalsContact CG2-CE2 3.43Å; I212-F223 HydrophobicContact CG2-CG 4.4Å; I212-F223 HydrophobicContact CG2-CZ 3.38Å; G213-F223 VanDerWaalsContact CA-CD1 3.43Å; C216-F223 HydrophobicContact CB-CB 3.86Å; F223-V243 HydrophobicContact CD1-CB 4.31Å; F223-V243 HydrophobicContact CD1-CG1 3.68Å; F223-V243 HydrophobicContact CE1-CG1 3.63Å; F223-D244 PolarHBondContact N-OD2 3.09Å; F223-D244 WeakPolarHBondContact O-CA 3.28Å; F223-D244 WeakPolarHBondContact O-CB 3.42Å; F223-D244 PolarHBondContact O-N 3.07Å; F223-L245 PolarHBondContact O-N 3.13Å
224	H	98.9	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.8	168.9	167	-105	0	0	0	110.3	N125 A128 L193 V194 S195 V196 L245 S247	N125-H224 PolarHBondContact OD1-CE1 3.48Å; N125-H224 PolarHBondContact OD1-NE2 2.89Å; N125-H224 VanDerWaalsContact OD1-NE2 3.17Å; A128-H224 VanDerWaalsContact CB-CD2 3.43Å; A128-H224 WeakPolarHBondContact CB-CD2 3.45Å; L193-H224 HydrophobicContact CD1-CB 3.82Å; L193-H224 HydrophobicContact CG-CB 4.48Å; V194-H224 PolarHBondContact O-N 3.47Å; S195-H224 WeakPolarHBondContact CA-O 3.48Å; S195-H224 PolarHBondContact OG-ND1 3.4Å; V196-H224 PolarHBondContact N-O 2.89Å; V196-H224 VanDerWaalsContact N-O 3.09Å; H224-L245 WeakPolarHBondContact CA-O 3.45Å; H224-L245 HydrophobicContact CB-CB 4.1Å; H224-L245 HydrophobicContact CB-CD1 4.46Å; H224-S247 PolarHBondContact NE2-OG 3.09Å; H224-S247 VanDerWaalsContact NE2-OG 3.08Å
225	T	98.9	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133	167.4	-168.6	0	0	0	0	111.7	V196 T198 G227 V243 L245 M246 S247	V196-T225 VanDerWaalsContact O-CA 3.26Å; V196-T225 WeakPolarHBondContact O-CA 3.45Å; V196-T225 WeakPolarHBondContact O-CB 3.43Å; V196-T225 PolarHBondContact O-OG1 3.39Å; T198-T225 PolarHBondContact N-OG1 3.3Å; T198-T225 PolarHBondContact OG1-OG1 2.8Å; T225-G227 PolarHBondContact O-N 2.99Å; T225-V243 HydrophobicContact CG2-CG1 3.79Å; T225-L245 PolarHBondContact N-O 3.35Å; T225-M246 HydrophobicContact CG2-CB 4.1Å; T225-M246 HydrophobicContact CG2-CE 3.91Å; T225-M246 HydrophobicContact CG2-CG 4Å; T225-M246 VanDerWaalsContact O-CA 3.28Å; T225-M246 WeakPolarHBondContact O-CA 3.28Å; T225-S247 PolarHBondContact O-N 3.05Å; T225-S247 VanDerWaalsContact O-N 3.08Å
226	D	98.8	Very high	97.9	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	107	166	-172.3	-11.9	0	0	0	109.4	N125 M197 T198 A228	N125-D226 PolarHBondContact ND2-OD2 3.07Å; M197-D226 HydrophobicContact CB-CB 3.81Å; T198-D226 PolarHBondContact N-O 2.9Å; D226-A228 WeakPolarHBondContact OD1-CB 3.26Å; D226-A228 PolarHBondContact OD1-N 3.2Å
227	G	98.4	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.			trans	-94.6	8.2	179	0	0	0	0	0	113.7	T225 Q229 A230 V231 S247	T225-G227 PolarHBondContact O-N 2.99Å; G227-Q229 VanDerWaalsContact C-N 3.27Å; G227-Q229 PolarHBondContact O-N 3.02Å; G227-A230 PolarHBondContact O-N 2.78Å; G227-V231 WeakPolarHBondContact O-CG2 3.45Å; G227-V231 PolarHBondContact O-N 3.26Å; G227-S247 CarbonylContact C-O 3.54Å; G227-S247 VanDerWaalsContact CA-O 3.23Å; G227-S247 WeakPolarHBondContact CA-O 3.45Å; G227-S247 PolarHBondContact N-O 2.77Å
228	A	98.3	Very high	98	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.9	-172	0	0	0	0	0	113.9	A121 D226 S247 K252	A121-A228 HydrophobicContact CB-CB 3.74Å; D226-A228 WeakPolarHBondContact OD1-CB 3.26Å; D226-A228 PolarHBondContact OD1-N 3.2Å; A228-S247 PolarHBondContact N-O 3.1Å; A228-K252 WeakPolarHBondContact O-CB 3.27Å
229	Q	97.8	Very high	97.9	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-15.3	174.7	-65	-65.4	23	0	0	113.9	Q58 V199 N201 G227 K233	Q58-Q229 PolarHBondContact O-NE2 2.68Å; V199-Q229 HydrophobicContact CB-CB 3.83Å; V199-Q229 HydrophobicContact CG1-CB 3.82Å; N201-Q229 HydrophobicContact CB-CG 3.7Å; G227-Q229 VanDerWaalsContact C-N 3.27Å; G227-Q229 PolarHBondContact O-N 3.02Å; Q229-K233 VanDerWaalsContact O-CD 3.24Å; Q229-K233 WeakPolarHBondContact O-CD 3.01Å; Q229-K233 PolarHBondContact O-NZ 2.94Å
230	A	98.2	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-44.4	-173.5	0	0	0	0	0	114	T198 V199 G227 G232 K233 I234 M236	T198-A230 HydrophobicContact CG2-CB 3.37Å; V199-A230 HydrophobicContact CB-CB 4.24Å; V199-A230 HydrophobicContact CG2-CB 3.64Å; G227-A230 PolarHBondContact O-N 2.78Å; A230-G232 PolarHBondContact O-N 3.48Å; A230-K233 PolarHBondContact O-N 3.12Å; A230-I234 HydrophobicContact CB-CD1 4.02Å; A230-I234 HydrophobicContact CB-CG1 4.02Å; A230-I234 PolarHBondContact O-N 3.41Å; A230-I234 VanDerWaalsContact O-N 3.07Å; A230-M236 HydrophobicContact CB-CE 4.43Å; A230-M236 HydrophobicContact CB-SD 4.03Å
231	V	98.3	Very high	97.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.7	-176.3	174	0	0	0	0	109.7	L107 V108 G227 K233 M236 M246 I248 I253	L107-V231 HydrophobicContact CD2-CG1 3.52Å; L107-V231 HydrophobicContact CG-CG1 4.17Å; V108-V231 HydrophobicContact CG1-CG1 3.97Å; V108-V231 HydrophobicContact CG1-CG2 4.08Å; G227-V231 WeakPolarHBondContact O-CG2 3.45Å; G227-V231 PolarHBondContact O-N 3.26Å; V231-K233 PolarHBondContact O-N 2.9Å; V231-M236 HydrophobicContact CG2-CG 4.11Å; V231-M246 HydrophobicContact CG2-SD 3.77Å; V231-I248 HydrophobicContact CB-CG2 3.95Å; V231-I248 HydrophobicContact CG1-CG2 3.72Å; V231-I248 HydrophobicContact CG2-CD1 4.4Å; V231-I248 HydrophobicContact CG2-CG1 4.19Å; V231-I248 HydrophobicContact CG2-CG2 4.13Å; V231-I253 WeakPolarHBondContact O-CG2 3.39Å
232	G	97.6	Very high	97.8	Very high	5 Å²	5	26.9 Å²	26.9	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-3.4	-178.2	0	0	0	0	0	115.1	A230	A230-G232 PolarHBondContact O-N 3.48Å
233	K	97.6	Very high	97.8	Very high	19 Å²	19	25.2 Å²	25.2	8%	0.083	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-38.5	-179.9	-54.5	-164.4	-169.1	61	0	113	Q229 A230 V231 K252 Y344	Q229-K233 VanDerWaalsContact O-CD 3.24Å; Q229-K233 WeakPolarHBondContact O-CD 3.01Å; Q229-K233 PolarHBondContact O-NZ 2.94Å; A230-K233 PolarHBondContact O-N 3.12Å; V231-K233 PolarHBondContact O-N 2.9Å; K233-K252 WeakPolarHBondContact CE-O 3.12Å; K233-K252 PolarHBondContact NZ-O 2.65Å; K233-Y344 HydrophobicContact CB-CD2 4.17Å; K233-Y344 HydrophobicContact CB-CE1 4.45Å; K233-Y344 HydrophobicContact CB-CE2 3.49Å; K233-Y344 VanDerWaalsContact CB-CE2 3.49Å; K233-Y344 HydrophobicContact CD-CD1 4.26Å; K233-Y344 HydrophobicContact CD-CE1 3.63Å; K233-Y344 HydrophobicContact CD-CE2 4.22Å; K233-Y344 HydrophobicContact CG-CE2 4.43Å
234	I	97.4	Very high	97.8	Very high	19 Å²	19	25.2 Å²	25.2	10%	0.097	14%	0.137	C	C	.	.	S	Bend	trans	-124.3	156.2	172.5	61.4	174.5	0	0	0	109.9	T198 V199 I206 A230 M236 Y313 Y344	T198-I234 HydrophobicContact CG2-CD1 4.04Å; V199-I234 HydrophobicContact CG2-CD1 4.03Å; I206-I234 HydrophobicContact CD1-CD1 4.37Å; I206-I234 HydrophobicContact CG2-CD1 4.33Å; A230-I234 HydrophobicContact CB-CD1 4.02Å; A230-I234 HydrophobicContact CB-CG1 4.02Å; A230-I234 PolarHBondContact O-N 3.41Å; A230-I234 VanDerWaalsContact O-N 3.07Å; I234-M236 HydrophobicContact CD1-SD 4.17Å; I234-M236 HydrophobicContact CG1-SD 3.94Å; I234-M236 WeakPolarHBondContact O-CG 3.37Å; I234-M236 PolarHBondContact O-N 3.17Å; I234-M236 VanDerWaalsContact O-N 3.16Å; I234-Y313 HydrophobicContact CG2-CD2 4.4Å; I234-Y313 HydrophobicContact CG2-CE2 4.06Å; I234-Y344 HydrophobicContact CG2-CD2 3.73Å; I234-Y344 HydrophobicContact CG2-CE2 4.14Å
235	P	97.4	Very high	97.8	Very high	116 Å²	116	25.2 Å²	25.2	75%	0.753	14%	0.137	S	C	*	.			trans	-59.1	120.4	177.1	-25.6	35.2	0	0	0	111.5	M309	P235-M309 HydrophobicContact CG-SD 4.41Å
236	M	97.9	Very high	97.8	Very high	15 Å²	15	25.2 Å²	25.2	7%	0.074	14%	0.137	C	C	.	.			trans	-117.9	121.4	175.9	-62.1	-57.3	-70	0	0	108.9	V108 T198 A230 V231 I234 L241 M246	V108-M236 CarbonylContact C-O 3.47Å; V108-M236 VanDerWaalsContact CA-O 3.31Å; V108-M236 WeakPolarHBondContact CA-O 3.36Å; V108-M236 HydrophobicContact CG1-CB 4.41Å; T198-M236 HydrophobicContact CG2-CE 3.8Å; T198-M236 HydrophobicContact CG2-SD 3.96Å; A230-M236 HydrophobicContact CB-CE 4.43Å; A230-M236 HydrophobicContact CB-SD 4.03Å; V231-M236 HydrophobicContact CG2-CG 4.11Å; I234-M236 HydrophobicContact CD1-SD 4.17Å; I234-M236 HydrophobicContact CG1-SD 3.94Å; I234-M236 WeakPolarHBondContact O-CG 3.37Å; I234-M236 PolarHBondContact O-N 3.17Å; I234-M236 VanDerWaalsContact O-N 3.16Å; M236-L241 HydrophobicContact CE-CD1 3.53Å; M236-L241 HydrophobicContact SD-CD1 4.16Å; M236-M246 HydrophobicContact CE-CE 3.34Å; M236-M246 HydrophobicContact CE-SD 4.12Å
237	N	98.2	Very high	97.8	Very high	67 Å²	67	24.9 Å²	24.9	36%	0.358	14%	0.135	S	C	.	.			trans	-131.7	108.6	171.6	-176.7	-57.8	0	0	0	109.1	V108 N239 K240 L241	V108-N237 CarbonylContact O-C 3.6Å; V108-N237 WeakPolarHBondContact O-CA 3.48Å; N237-N239 PolarHBondContact O-N 2.73Å; N237-N239 VanDerWaalsContact O-N 3.14Å; N237-N239 WeakPolarHBondContact OD1-CA 3.26Å; N237-N239 WeakPolarHBondContact OD1-CB 3.42Å; N237-N239 PolarHBondContact OD1-N 2.98Å; N237-K240 HydrophobicContact CB-CB 4.01Å; N237-K240 PolarHBondContact O-N 2.78Å; N237-K240 PolarHBondContact OD1-N 3.19Å; N237-L241 WeakPolarHBondContact O-CB 3.17Å; N237-L241 VanDerWaalsContact O-CG 3.25Å; N237-L241 WeakPolarHBondContact O-CG 3.37Å; N237-L241 PolarHBondContact O-N 2.99Å
238	V	98.2	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.2	-173.7	-65.2	0	0	0	0	112.6	V108 A110 T242 V243 M246 Y263 R265	V108-V238 HydrophobicContact CB-CG1 4.18Å; V108-V238 HydrophobicContact CG2-CG1 4.13Å; V108-V238 PolarHBondContact O-N 2.88Å; A110-V238 HydrophobicContact CB-CG2 3.85Å; V238-T242 PolarHBondContact O-N 2.91Å; V238-V243 HydrophobicContact CB-CG2 3.68Å; V238-V243 HydrophobicContact CG1-CG2 3.83Å; V238-V243 PolarHBondContact O-N 3.22Å; V238-M246 HydrophobicContact CG1-CE 3.94Å; V238-M246 HydrophobicContact CG1-SD 4.41Å; V238-Y263 HydrophobicContact CB-CD1 4.24Å; V238-Y263 HydrophobicContact CB-CE1 3.74Å; V238-Y263 HydrophobicContact CB-CE2 4.09Å; V238-Y263 HydrophobicContact CG1-CD1 3.78Å; V238-Y263 HydrophobicContact CG1-CD2 4.17Å; V238-Y263 HydrophobicContact CG1-CE1 3.82Å; V238-Y263 HydrophobicContact CG1-CE2 4.2Å; V238-Y263 HydrophobicContact CG1-CG 3.95Å; V238-Y263 HydrophobicContact CG2-CD2 4.33Å; V238-Y263 HydrophobicContact CG2-CE1 4.23Å; V238-Y263 HydrophobicContact CG2-CE2 3.67Å; V238-R265 PolarHBondContact O-NH2 2.78Å
239	N	95.9	Very high	97.8	Very high	85 Å²	85	24.7 Å²	24.7	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-44.5	179.7	-68.4	-47.3	0	0	0	111.8	G109 N237 T242 R265	G109-N239 PolarHBondContact O-ND2 3.35Å; N237-N239 PolarHBondContact O-N 2.73Å; N237-N239 VanDerWaalsContact O-N 3.14Å; N237-N239 WeakPolarHBondContact OD1-CA 3.26Å; N237-N239 WeakPolarHBondContact OD1-CB 3.42Å; N237-N239 PolarHBondContact OD1-N 2.98Å; N239-T242 PolarHBondContact O-N 3.24Å; N239-R265 PolarHBondContact OD1-NH1 2.65Å
240	K	96.6	Very high	97.9	Very high	129 Å²	129	24.5 Å²	24.5	56%	0.561	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-45.9	174.3	-174.8	-177.6	173.7	-172.8	0	111.5	E210 N237 T242	E210-K240 WeakPolarHBondContact OE1-CE 3.19Å; N237-K240 HydrophobicContact CB-CB 4.01Å; N237-K240 PolarHBondContact O-N 2.78Å; N237-K240 PolarHBondContact OD1-N 3.19Å; K240-T242 PolarHBondContact O-N 2.92Å
241	L	97.1	Very high	97.9	Very high	21 Å²	21	26.4 Å²	26.4	11%	0.11	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.5	-178.8	-63.2	175.1	0	0	0	113.3	I209 E210 M236 N237 V243 M246	I209-L241 HydrophobicContact CB-CD2 4.43Å; I209-L241 HydrophobicContact CG2-CB 4.21Å; I209-L241 HydrophobicContact CG2-CD1 4.28Å; I209-L241 HydrophobicContact CG2-CD2 4.24Å; I209-L241 HydrophobicContact CG2-CG 4.48Å; E210-L241 HydrophobicContact CB-CD2 4.1Å; M236-L241 HydrophobicContact CE-CD1 3.53Å; M236-L241 HydrophobicContact SD-CD1 4.16Å; N237-L241 WeakPolarHBondContact O-CB 3.17Å; N237-L241 VanDerWaalsContact O-CG 3.25Å; N237-L241 WeakPolarHBondContact O-CG 3.37Å; N237-L241 PolarHBondContact O-N 2.99Å; L241-V243 HydrophobicContact CB-CG1 4Å; L241-V243 HydrophobicContact CB-CG2 4.43Å; L241-V243 PolarHBondContact O-N 3.42Å; L241-M246 HydrophobicContact CD1-CE 4.36Å
242	T	96.3	Very high	97.9	Very high	33 Å²	33	27.6 Å²	27.6	20%	0.202	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	16.3	-177.9	65.4	0	0	0	0	116.1	G213 E214 R217 V238 N239 K240	G213-T242 WeakPolarHBondContact CA-OG1 3.34Å; G213-T242 PolarHBondContact O-OG1 3.15Å; E214-T242 PolarHBondContact N-OG1 3.3Å; R217-T242 PolarHBondContact NH2-O 3.11Å; V238-T242 PolarHBondContact O-N 2.91Å; N239-T242 PolarHBondContact O-N 3.24Å; K240-T242 PolarHBondContact O-N 2.92Å
243	V	97.8	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.			trans	-63.2	143.1	178	-65.5	0	0	0	0	112	I209 F223 T225 V238 L241 M246 Y263 R265	I209-V243 HydrophobicContact CG2-CG1 3.87Å; F223-V243 HydrophobicContact CD1-CB 4.31Å; F223-V243 HydrophobicContact CD1-CG1 3.68Å; F223-V243 HydrophobicContact CE1-CG1 3.63Å; T225-V243 HydrophobicContact CG2-CG1 3.79Å; V238-V243 HydrophobicContact CB-CG2 3.68Å; V238-V243 HydrophobicContact CG1-CG2 3.83Å; V238-V243 PolarHBondContact O-N 3.22Å; L241-V243 HydrophobicContact CB-CG1 4Å; L241-V243 HydrophobicContact CB-CG2 4.43Å; L241-V243 PolarHBondContact O-N 3.42Å; V243-M246 HydrophobicContact CG2-CE 4.13Å; V243-Y263 HydrophobicContact CG2-CD1 4.49Å; V243-Y263 HydrophobicContact CG2-CE1 4.11Å; V243-R265 PolarHBondContact O-NE 3.27Å; V243-R265 PolarHBondContact O-NH2 3.47Å
244	D	98.6	Very high	97.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.143	C	C	.	.	S	Bend	trans	-95.3	-32.1	176.3	-69.7	-56.3	0	0	0	111.5	R217 F222 F223 R265 V270	R217-D244 IonicContact CZ-OD1 2.67Å; R217-D244 IonicContact NH1-OD1 2.69Å; R217-D244 PolarHBondContact NH1-OD1 2.96Å; R217-D244 IonicContact NH1-OD2 3.45Å; R217-D244 IonicContact NH2-OD1 3.97Å; R217-D244 PolarHBondContact NH2-OD1 3.33Å; R217-D244 IonicContact NH2-OD2 2.9Å; F222-D244 WeakPolarHBondContact CA-OD2 3.43Å; F222-D244 HydrophobicContact CB-CB 4.37Å; F222-D244 HydrophobicContact CD1-CB 4.12Å; F223-D244 PolarHBondContact N-OD2 3.09Å; F223-D244 WeakPolarHBondContact O-CA 3.28Å; F223-D244 WeakPolarHBondContact O-CB 3.42Å; F223-D244 PolarHBondContact O-N 3.07Å; D244-R265 VanDerWaalsContact O-CB 3.3Å; D244-R265 WeakPolarHBondContact O-CB 3.4Å; D244-R265 PolarHBondContact O-N 2.79Å; D244-R265 WeakPolarHBondContact OD1-CD 3.38Å; D244-R265 IonicContact OD1-NE 3.62Å; D244-V270 HydrophobicContact CB-CG2 3.69Å
245	L	98.9	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.1	176.1	-57.8	102.3	0	0	0	111.5	A128 V132 L193 F223 H224 T225 L262 Y263 V270 L272	A128-L245 HydrophobicContact CB-CB 4.4Å; A128-L245 HydrophobicContact CB-CD2 3.79Å; V132-L245 HydrophobicContact CG2-CD1 3.7Å; V132-L245 HydrophobicContact CG2-CD2 4Å; L193-L245 HydrophobicContact CD1-CD1 4.31Å; F223-L245 PolarHBondContact O-N 3.13Å; H224-L245 WeakPolarHBondContact CA-O 3.45Å; H224-L245 HydrophobicContact CB-CB 4.1Å; H224-L245 HydrophobicContact CB-CD1 4.46Å; T225-L245 PolarHBondContact N-O 3.35Å; L245-L262 HydrophobicContact CB-CD1 4.24Å; L245-L262 HydrophobicContact CD2-CD1 4.34Å; L245-L262 HydrophobicContact CD2-CD2 4.29Å; L245-Y263 VanDerWaalsContact CA-O 3.25Å; L245-Y263 WeakPolarHBondContact CA-O 3.49Å; L245-V270 HydrophobicContact CD1-CG1 4.01Å; L245-V270 HydrophobicContact CD2-CG1 4.49Å; L245-V270 HydrophobicContact CG-CG1 4.3Å; L245-L272 HydrophobicContact CD2-CD1 3.99Å; L245-L272 HydrophobicContact CD2-CD2 3.68Å; L245-L272 HydrophobicContact CD2-CG 4.42Å
246	M	98.9	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	125.9	173.1	177.2	-172.5	-64.2	0	0	111.7	V108 T225 V231 M236 V238 L241 V243 I248 L262 Y263	V108-M246 HydrophobicContact CG1-SD 4.28Å; T225-M246 HydrophobicContact CG2-CB 4.1Å; T225-M246 HydrophobicContact CG2-CE 3.91Å; T225-M246 HydrophobicContact CG2-CG 4Å; T225-M246 VanDerWaalsContact O-CA 3.28Å; T225-M246 WeakPolarHBondContact O-CA 3.28Å; V231-M246 HydrophobicContact CG2-SD 3.77Å; M236-M246 HydrophobicContact CE-CE 3.34Å; M236-M246 HydrophobicContact CE-SD 4.12Å; V238-M246 HydrophobicContact CG1-CE 3.94Å; V238-M246 HydrophobicContact CG1-SD 4.41Å; L241-M246 HydrophobicContact CD1-CE 4.36Å; V243-M246 HydrophobicContact CG2-CE 4.13Å; M246-I248 HydrophobicContact CG-CG1 4.26Å; M246-I248 HydrophobicContact SD-CD1 4.5Å; M246-I248 HydrophobicContact SD-CG1 4.48Å; M246-L262 WeakPolarHBondContact O-CA 3.27Å; M246-Y263 HydrophobicContact CB-CD1 4.14Å; M246-Y263 PolarHBondContact N-O 2.91Å; M246-Y263 PolarHBondContact O-N 3.01Å
247	S	98.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.4	174.9	-65.6	0	0	0	0	111.6	A124 N125 H224 T225 G227 A228	A124-S247 WeakPolarHBondContact CB-OG 3.23Å; N125-S247 PolarHBondContact N-OG 3.25Å; N125-S247 WeakPolarHBondContact OD1-CB 3.41Å; N125-S247 PolarHBondContact OD1-OG 2.85Å; H224-S247 PolarHBondContact NE2-OG 3.09Å; H224-S247 VanDerWaalsContact NE2-OG 3.08Å; T225-S247 PolarHBondContact O-N 3.05Å; T225-S247 VanDerWaalsContact O-N 3.08Å; G227-S247 CarbonylContact C-O 3.54Å; G227-S247 VanDerWaalsContact CA-O 3.23Å; G227-S247 WeakPolarHBondContact CA-O 3.45Å; G227-S247 PolarHBondContact N-O 2.77Å; A228-S247 PolarHBondContact N-O 3.1Å
248	I	98.7	Very high	98.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.7	-175.6	-42.8	-179.4	0	0	0	109.4	L104 V108 V231 M246 G260 A261 F298	L104-I248 HydrophobicContact CD1-CD1 4.14Å; L104-I248 HydrophobicContact CD1-CG2 4.1Å; L104-I248 HydrophobicContact CD2-CD1 4.19Å; L104-I248 HydrophobicContact CG-CD1 4.23Å; V108-I248 HydrophobicContact CG1-CD1 3.94Å; V231-I248 HydrophobicContact CB-CG2 3.95Å; V231-I248 HydrophobicContact CG1-CG2 3.72Å; V231-I248 HydrophobicContact CG2-CD1 4.4Å; V231-I248 HydrophobicContact CG2-CG1 4.19Å; V231-I248 HydrophobicContact CG2-CG2 4.13Å; M246-I248 HydrophobicContact CG-CG1 4.26Å; M246-I248 HydrophobicContact SD-CD1 4.5Å; M246-I248 HydrophobicContact SD-CG1 4.48Å; I248-G260 CarbonylContact O-C 3.32Å; I248-G260 WeakPolarHBondContact O-CA 3.36Å; I248-A261 PolarHBondContact N-O 3.15Å; I248-A261 PolarHBondContact O-N 3.48Å; I248-F298 HydrophobicContact CB-CZ 4.16Å; I248-F298 HydrophobicContact CG2-CE2 4.19Å; I248-F298 HydrophobicContact CG2-CZ 3.7Å
249	S	98.6	Very high	98.2	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.2	-179.9	-170.1	0	0	0	0	111.8	H251	S249-H251 PolarHBondContact OG-CD2 3.34Å; S249-H251 PolarHBondContact OG-NE2 2.99Å
250	G	98.6	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-69.5	-45.2	178.8	0	0	0	0	0	113.7	K252 I253 G255 V259 F298	G250-K252 PolarHBondContact O-N 2.74Å; G250-K252 VanDerWaalsContact O-N 3.09Å; G250-I253 WeakPolarHBondContact O-CG1 3.28Å; G250-I253 PolarHBondContact O-N 2.89Å; G250-I253 VanDerWaalsContact O-N 3.09Å; G250-G255 VanDerWaalsContact O-CA 3.23Å; G250-G255 WeakPolarHBondContact O-CA 3.39Å; G250-G255 PolarHBondContact O-N 3.1Å; G250-V259 PolarHBondContact N-O 3.42Å; G250-V259 VanDerWaalsContact N-O 3.13Å; G250-F298 VanDerWaalsContact CA-CD2 3.43Å
251	H	98.5	Very high	98.4	Very high	41 Å²	41	15.2 Å²	15.2	19%	0.19	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-76.8	5.2	-174.7	81.3	94.9	0	0	0	115.4	S59 T60 T61 S249 G255 P256 K257	S59-H251 PolarHBondContact O-CE1 3.33Å; S59-H251 VanDerWaalsContact O-CE1 3.26Å; T60-H251 PolarHBondContact OG1-ND1 2.89Å; T61-H251 PolarHBondContact N-O 3.21Å; T61-H251 PolarHBondContact OG1-O 3.43Å; S249-H251 PolarHBondContact OG-CD2 3.34Å; S249-H251 PolarHBondContact OG-NE2 2.99Å; H251-G255 WeakPolarHBondContact CA-O 3.44Å; H251-P256 PolarHBondContact N-O 3.18Å; H251-K257 HydrophobicContact CB-CB 4.29Å; H251-K257 HydrophobicContact CB-CG 3.62Å
252	K	98	Very high	98.5	Very high	25 Å²	25	14.2 Å²	14.2	11%	0.109	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-100.1	-1.5	170.9	-58	-56.2	-172.3	83.5	0	112.1	Q58 S59 A228 K233 G250	Q58-K252 WeakPolarHBondContact O-CE 3.41Å; Q58-K252 PolarHBondContact O-NZ 3.26Å; S59-K252 VanDerWaalsContact O-CE 3.31Å; S59-K252 WeakPolarHBondContact O-CE 3.43Å; A228-K252 WeakPolarHBondContact O-CB 3.27Å; K233-K252 WeakPolarHBondContact CE-O 3.12Å; K233-K252 PolarHBondContact NZ-O 2.65Å; G250-K252 PolarHBondContact O-N 2.74Å; G250-K252 VanDerWaalsContact O-N 3.09Å
253	I	98.3	Very high	98.6	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	35.5	-178	62.8	163.2	0	0	0	112	V231 G250 G255 F298 A301	V231-I253 WeakPolarHBondContact O-CG2 3.39Å; G250-I253 WeakPolarHBondContact O-CG1 3.28Å; G250-I253 PolarHBondContact O-N 2.89Å; G250-I253 VanDerWaalsContact O-N 3.09Å; I253-G255 PolarHBondContact O-N 3.3Å; I253-G255 VanDerWaalsContact O-N 3.17Å; I253-F298 HydrophobicContact CD1-CD2 4.13Å; I253-F298 HydrophobicContact CD1-CE2 3.76Å; I253-F298 HydrophobicContact CG1-CE2 4.35Å; I253-A301 HydrophobicContact CD1-CB 4.18Å; I253-A301 HydrophobicContact CG1-CB 4.21Å
254	Y	98.7	Very high	98.7	Very high	16 Å²	16	13.1 Å²	13.1	6%	0.063	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	15.5	-179.7	-41.5	-82.2	0	0	0	114.9	T61 P62 M63 D64 G394 R395 F396	T61-Y254 HydrophobicContact CG2-CD1 3.98Å; T61-Y254 HydrophobicContact CG2-CE1 3.79Å; T61-Y254 HydrophobicContact CG2-CG 4.5Å; T61-Y254 WeakPolarHBondContact OG1-CA 3.27Å; T61-Y254 PolarHBondContact OG1-N 3.23Å; P62-Y254 HydrophobicContact CG-CD1 4.42Å; P62-Y254 WeakPolarHBondContact O-CA 3.46Å; P62-Y254 WeakPolarHBondContact O-CD1 3.22Å; M63-Y254 WeakPolarHBondContact CA-O 3.48Å; D64-Y254 PolarHBondContact N-O 3.14Å; Y254-G394 WeakPolarHBondContact OH-CA 3.48Å; Y254-R395 HydrophobicContact CE1-CB 3.92Å; Y254-R395 HydrophobicContact CE2-CB 4.03Å; Y254-R395 WeakPolarHBondContact OH-CB 3.5Å; Y254-R395 PolarHBondContact OH-N 3.49Å; Y254-F396 HydrophobicContact CD1-CD2 4.32Å; Y254-F396 AromaticContact CD1-CE2 3.83Å; Y254-F396 HydrophobicContact CD1-CE2 3.83Å; Y254-F396 HydrophobicContact CE1-CD2 4.28Å; Y254-F396 HydrophobicContact CE1-CE2 4.2Å
255	G	98.8	Very high	98.6	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.031	7%	0.074	C	C	.	.			trans	-87.8	180	170.6	0	0	0	0	0	113.8	G250 H251 I253	G250-G255 VanDerWaalsContact O-CA 3.23Å; G250-G255 WeakPolarHBondContact O-CA 3.39Å; G250-G255 PolarHBondContact O-N 3.1Å; H251-G255 WeakPolarHBondContact CA-O 3.44Å; I253-G255 PolarHBondContact O-N 3.3Å; I253-G255 VanDerWaalsContact O-N 3.17Å
256	P	98.7	Very high	98.6	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.019	10%	0.096	C	C	.	.			trans	-72.3	153.1	177.4	27.4	-31.1	0	0	0	113.2	M63 M71 H251 V259 L294	M63-P256 HydrophobicContact CE-CB 3.73Å; M71-P256 HydrophobicContact CE-CB 3.82Å; M71-P256 HydrophobicContact CE-CG 3.9Å; M71-P256 HydrophobicContact SD-CB 4.06Å; M71-P256 HydrophobicContact SD-CG 3.87Å; H251-P256 PolarHBondContact N-O 3.18Å; P256-V259 HydrophobicContact CG-CG1 3.76Å; P256-L294 HydrophobicContact CB-CD2 4.08Å; P256-L294 HydrophobicContact CG-CB 4.42Å; P256-L294 HydrophobicContact CG-CD2 4.38Å; P256-L294 WeakPolarHBondContact CG-O 3.4Å
257	K	98.7	Very high	98.4	Very high	127 Å²	127	29.8 Å²	29.8	55%	0.552	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	154.6	165.8	-65	171	178.5	59.5	0	109.9	T60 H251	T60-K257 WeakPolarHBondContact OG1-CE 3.24Å; T60-K257 PolarHBondContact OG1-NZ 3.45Å; H251-K257 HydrophobicContact CB-CB 4.29Å; H251-K257 HydrophobicContact CB-CG 3.62Å
258	G	98.4	Very high	98.1	Very high	43 Å²	43	33.5 Å²	33.5	44%	0.443	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	15.1	177.8	0	0	0	0	0	114.9	S119	S119-G258 CarbonylContact O-C 3.21Å; S119-G258 VanDerWaalsContact O-CA 3.31Å; S119-G258 WeakPolarHBondContact O-CA 3.17Å
259	V	98.8	Very high	98	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	19%	0.189	C	C	.	.			trans	-139.7	142.8	171.4	68.4	0	0	0	0	111.3	S119 G250 P256 L294 V295 F298	S119-V259 PolarHBondContact O-N 3.12Å; S119-V259 VanDerWaalsContact O-N 3.15Å; G250-V259 PolarHBondContact N-O 3.42Å; G250-V259 VanDerWaalsContact N-O 3.13Å; P256-V259 HydrophobicContact CG-CG1 3.76Å; V259-L294 HydrophobicContact CB-CB 3.9Å; V259-L294 HydrophobicContact CG1-CB 4.15Å; V259-L294 HydrophobicContact CG2-CB 4.3Å; V259-V295 HydrophobicContact CG2-CG2 4.16Å; V259-F298 HydrophobicContact CG1-CB 3.87Å; V259-F298 HydrophobicContact CG1-CD1 4.3Å; V259-F298 HydrophobicContact CG1-CG 4.17Å; V259-F298 HydrophobicContact CG2-CB 4.32Å; V259-F298 HydrophobicContact CG2-CD1 3.91Å; V259-F298 HydrophobicContact CG2-CG 4.49Å
260	G	98.8	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-172.7	173.1	0	0	0	0	0	110.4	T118 I248 F298	T118-G260 PolarHBondContact N-O 3.31Å; T118-G260 PolarHBondContact O-N 2.94Å; T118-G260 VanDerWaalsContact OG1-C 3.25Å; I248-G260 CarbonylContact O-C 3.32Å; I248-G260 WeakPolarHBondContact O-CA 3.36Å; G260-F298 VanDerWaalsContact C-CE1 3.44Å
261	A	98.9	Very high	98	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.9	174.9	0	0	0	0	0	111.4	L104 I115 V116 F117 T118 I248 F298	L104-A261 HydrophobicContact CD1-CB 4.42Å; L104-A261 HydrophobicContact CD2-CB 3.45Å; L104-A261 VanDerWaalsContact CD2-CB 3.45Å; I115-A261 HydrophobicContact CG2-CB 4.17Å; V116-A261 CarbonylContact O-C 2.96Å; V116-A261 WeakPolarHBondContact O-CA 3.46Å; V116-A261 WeakPolarHBondContact O-CB 3.43Å; F117-A261 HydrophobicContact CD1-CB 4.48Å; T118-A261 PolarHBondContact OG1-N 3.04Å; I248-A261 PolarHBondContact N-O 3.15Å; I248-A261 PolarHBondContact O-N 3.48Å; A261-F298 HydrophobicContact CB-CE1 3.82Å; A261-F298 HydrophobicContact CB-CZ 4.45Å
262	L	98.9	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.6	166.9	179.6	61.9	0	0	0	108.2	V116 T118 A124 L127 A128 L245 M246 V264 L272	V116-L262 HydrophobicContact CB-CB 4.48Å; V116-L262 PolarHBondContact N-O 3.4Å; V116-L262 PolarHBondContact O-N 3.18Å; T118-L262 HydrophobicContact CG2-CB 4.4Å; A124-L262 HydrophobicContact CB-CB 4.05Å; A124-L262 HydrophobicContact CB-CD1 4.5Å; L127-L262 HydrophobicContact CB-CD2 4.11Å; L127-L262 HydrophobicContact CD2-CD2 3.79Å; L127-L262 HydrophobicContact CG-CD2 3.75Å; A128-L262 HydrophobicContact CB-CD1 3.83Å; A128-L262 HydrophobicContact CB-CD2 4.15Å; L245-L262 HydrophobicContact CB-CD1 4.24Å; L245-L262 HydrophobicContact CD2-CD1 4.34Å; L245-L262 HydrophobicContact CD2-CD2 4.29Å; M246-L262 WeakPolarHBondContact O-CA 3.27Å; L262-V264 HydrophobicContact CD2-CG2 3.82Å; L262-V264 HydrophobicContact CG-CG2 3.75Å; L262-L272 HydrophobicContact CD2-CD1 4.06Å
263	Y	98.8	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.7	162	162	-100	0	0	0	109.1	A110 E114 I115 V238 V243 L245 M246 R265	A110-Y263 HydrophobicContact CB-CD2 3.69Å; A110-Y263 HydrophobicContact CB-CE2 3.75Å; E114-Y263 HydrophobicContact CB-CD2 3.72Å; E114-Y263 HydrophobicContact CB-CE2 3.66Å; E114-Y263 HydrophobicContact CG-CE2 4.22Å; E114-Y263 CarbonylContact O-C 3.52Å; E114-Y263 WeakPolarHBondContact O-CA 3.35Å; I115-Y263 HydrophobicContact CD1-CD2 4.42Å; V238-Y263 HydrophobicContact CB-CD1 4.24Å; V238-Y263 HydrophobicContact CB-CE1 3.74Å; V238-Y263 HydrophobicContact CB-CE2 4.09Å; V238-Y263 HydrophobicContact CG1-CD1 3.78Å; V238-Y263 HydrophobicContact CG1-CD2 4.17Å; V238-Y263 HydrophobicContact CG1-CE1 3.82Å; V238-Y263 HydrophobicContact CG1-CE2 4.2Å; V238-Y263 HydrophobicContact CG1-CG 3.95Å; V238-Y263 HydrophobicContact CG2-CD2 4.33Å; V238-Y263 HydrophobicContact CG2-CE1 4.23Å; V238-Y263 HydrophobicContact CG2-CE2 3.67Å; V243-Y263 HydrophobicContact CG2-CD1 4.49Å; V243-Y263 HydrophobicContact CG2-CE1 4.11Å; L245-Y263 VanDerWaalsContact CA-O 3.25Å; L245-Y263 WeakPolarHBondContact CA-O 3.49Å; M246-Y263 HydrophobicContact CB-CD1 4.14Å; M246-Y263 PolarHBondContact N-O 2.91Å; M246-Y263 PolarHBondContact O-N 3.01Å; Y263-R265 HydrophobicContact CE1-CB 4.06Å; Y263-R265 WeakPolarHBondContact OH-CB 3.41Å; Y263-R265 PolarHBondContact OH-NE 2.88Å; Y263-R265 PolarHBondContact OH-NH2 2.92Å
264	V	98.7	Very high	97.8	Very high	10 Å²	10	50 Å²	50	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	108.1	177	-173	0	0	0	0	108.9	E114 V116 L262 R266 V270 L272 L285	E114-V264 WeakPolarHBondContact CB-O 3.3Å; E114-V264 PolarHBondContact O-N 2.73Å; V116-V264 HydrophobicContact CG2-CG2 4.21Å; L262-V264 HydrophobicContact CD2-CG2 3.82Å; L262-V264 HydrophobicContact CG-CG2 3.75Å; V264-R266 PolarHBondContact O-N 2.85Å; V264-V270 HydrophobicContact CG1-CB 4.09Å; V264-V270 HydrophobicContact CG1-CG1 4.23Å; V264-L272 HydrophobicContact CB-CD1 4.35Å; V264-L272 HydrophobicContact CG1-CD1 3.76Å; V264-L272 HydrophobicContact CG1-CG 4.3Å; V264-L272 HydrophobicContact CG2-CD1 3.58Å; V264-L285 HydrophobicContact CG2-CD1 4.41Å
265	R	98.4	Very high	97.8	Very high	14 Å²	14	52.2 Å²	52.2	5%	0.053	24%	0.242	C	C	.	.			trans	-57.4	130.8	-177.6	-177.8	178.2	-72.7	-71.9	-5	112.1	V238 N239 V243 D244 Y263 R267 P268 V270	V238-R265 PolarHBondContact O-NH2 2.78Å; N239-R265 PolarHBondContact OD1-NH1 2.65Å; V243-R265 PolarHBondContact O-NE 3.27Å; V243-R265 PolarHBondContact O-NH2 3.47Å; D244-R265 VanDerWaalsContact O-CB 3.3Å; D244-R265 WeakPolarHBondContact O-CB 3.4Å; D244-R265 PolarHBondContact O-N 2.79Å; D244-R265 WeakPolarHBondContact OD1-CD 3.38Å; D244-R265 IonicContact OD1-NE 3.62Å; Y263-R265 HydrophobicContact CE1-CB 4.06Å; Y263-R265 WeakPolarHBondContact OH-CB 3.41Å; Y263-R265 PolarHBondContact OH-NE 2.88Å; Y263-R265 PolarHBondContact OH-NH2 2.92Å; R265-R267 VanDerWaalsContact CD-O 3.32Å; R265-R267 WeakPolarHBondContact CD-O 3.33Å; R265-R267 WeakPolarHBondContact CG-O 3.38Å; R265-R267 PolarHBondContact NH1-O 3.01Å; R265-P268 WeakPolarHBondContact CG-O 3.45Å; R265-V270 HydrophobicContact CB-CG2 3.83Å; R265-V270 WeakPolarHBondContact O-CB 3.25Å; R265-V270 PolarHBondContact O-N 2.93Å
266	R	97	Very high	97.7	Very high	118 Å²	118	54.8 Å²	54.8	45%	0.445	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-25.3	175.5	-79.4	-177.6	72	171.4	6.2	113.9	R113 E114 V264 P268 R269	R113-R266 VanDerWaalsContact CD-NH1 3.26Å; E114-R266 HydrophobicContact CG-CB 4Å; E114-R266 HydrophobicContact CG-CG 3.77Å; E114-R266 PolarHBondContact OE1-N 2.69Å; V264-R266 PolarHBondContact O-N 2.85Å; R266-P268 CarbonylContact C-O 3.57Å; R266-R269 WeakPolarHBondContact O-CA 3.41Å; R266-R269 WeakPolarHBondContact O-CB 3.24Å; R266-R269 PolarHBondContact O-N 3.22Å
267	R	94.7	Very high	97.7	Very high	219 Å²	219	60.6 Å²	60.6	83%	0.826	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	116.6	179.1	-68.2	-174	178.2	179.8	-0.8	111.6	R265	R265-R267 VanDerWaalsContact CD-O 3.32Å; R265-R267 WeakPolarHBondContact CD-O 3.33Å; R265-R267 WeakPolarHBondContact CG-O 3.38Å; R265-R267 PolarHBondContact NH1-O 3.01Å
268	P	94.2	Very high	97.6	Very high	78 Å²	78	57.4 Å²	57.4	51%	0.506	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	cis	-55.1	150.7	-16.5	25.5	-36.3	0	0	0	112.1	R265 R266 V270	R265-P268 WeakPolarHBondContact CG-O 3.45Å; R266-P268 CarbonylContact C-O 3.57Å; P268-V270 PolarHBondContact O-N 3.44Å
269	R	96.7	Very high	97.4	Very high	167 Å²	167	58.5 Å²	58.5	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	120.6	-169.2	-172.5	178.1	-171.9	-178.8	0.8	111.7	R266 R271	R266-R269 WeakPolarHBondContact O-CA 3.41Å; R266-R269 WeakPolarHBondContact O-CB 3.24Å; R266-R269 PolarHBondContact O-N 3.22Å; R269-R271 HydrophobicContact CG-CG 4.48Å
270	V	97.7	Very high	97.3	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.055	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-90.7	145.6	167.5	-175.9	0	0	0	0	109	V132 F222 D244 L245 V264 R265 P268 L272	V132-V270 HydrophobicContact CG2-CG1 4.44Å; F222-V270 HydrophobicContact CD1-CG1 4.35Å; F222-V270 HydrophobicContact CD1-CG2 3.94Å; F222-V270 HydrophobicContact CE1-CB 4.45Å; F222-V270 HydrophobicContact CE1-CG1 4.42Å; F222-V270 HydrophobicContact CE1-CG2 3.92Å; D244-V270 HydrophobicContact CB-CG2 3.69Å; L245-V270 HydrophobicContact CD1-CG1 4.01Å; L245-V270 HydrophobicContact CD2-CG1 4.49Å; L245-V270 HydrophobicContact CG-CG1 4.3Å; V264-V270 HydrophobicContact CG1-CB 4.09Å; V264-V270 HydrophobicContact CG1-CG1 4.23Å; R265-V270 HydrophobicContact CB-CG2 3.83Å; R265-V270 WeakPolarHBondContact O-CB 3.25Å; R265-V270 PolarHBondContact O-N 2.93Å; P268-V270 PolarHBondContact O-N 3.44Å; V270-L272 HydrophobicContact CG1-CD2 4.24Å
271	R	97.5	Very high	97.2	Very high	104 Å²	104	62.4 Å²	62.4	39%	0.392	34%	0.337	S	S	.	.			trans	-130.4	143.7	179.6	-61.4	-71.7	-79.1	164	-8.8	108.7	F135 Y136 R269	F135-R271 HydrophobicContact CD1-CB 3.55Å; F135-R271 HydrophobicContact CD2-CB 4Å; F135-R271 HydrophobicContact CE1-CB 3.32Å; F135-R271 HydrophobicContact CE1-CG 3.87Å; F135-R271 HydrophobicContact CE2-CB 3.79Å; F135-R271 HydrophobicContact CE2-CG 4.49Å; F135-R271 HydrophobicContact CG-CB 3.91Å; F135-R271 HydrophobicContact CZ-CB 3.45Å; F135-R271 VanDerWaalsContact CZ-CB 3.45Å; F135-R271 HydrophobicContact CZ-CG 3.84Å; Y136-R271 HydrophobicContact CE2-CB 4.35Å; Y136-R271 WeakPolarHBondContact CE2-O 3.49Å; R269-R271 HydrophobicContact CG-CG 4.48Å
272	L	96.9	Very high	97.1	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.063	34%	0.341	C	S	.	.			trans	-138.4	145.2	-175.4	-50.4	170.1	0	0	0	108.5	G131 V132 L245 L262 V264 V270 L285	G131-L272 WeakPolarHBondContact O-CA 3.38Å; V132-L272 HydrophobicContact CB-CD2 4.06Å; V132-L272 HydrophobicContact CG2-CD2 3.15Å; L245-L272 HydrophobicContact CD2-CD1 3.99Å; L245-L272 HydrophobicContact CD2-CD2 3.68Å; L245-L272 HydrophobicContact CD2-CG 4.42Å; L262-L272 HydrophobicContact CD2-CD1 4.06Å; V264-L272 HydrophobicContact CB-CD1 4.35Å; V264-L272 HydrophobicContact CG1-CD1 3.76Å; V264-L272 HydrophobicContact CG1-CG 4.3Å; V264-L272 HydrophobicContact CG2-CD1 3.58Å; V270-L272 HydrophobicContact CG1-CD2 4.24Å; L272-L285 HydrophobicContact CB-CD2 4.01Å; L272-L285 HydrophobicContact CD1-CD2 4.5Å
273	E	97.7	Very high	97	Very high	91 Å²	91	69 Å²	69	43%	0.425	36%	0.363	S	S	.	.			trans	-83.3	128.9	161.7	-171.2	169.6	163.6	0	0	109.6	G131 H134 Q275	G131-E273 VanDerWaalsContact CA-O 3.26Å; G131-E273 WeakPolarHBondContact CA-O 3.48Å; G131-E273 PolarHBondContact O-N 2.86Å; H134-E273 HydrophobicContact CB-CB 4.15Å; H134-E273 WeakPolarHBondContact CB-OE2 3.5Å; E273-Q275 PolarHBondContact O-NE2 3.13Å
274	A	98	Very high	96.9	Very high	35 Å²	35	70.7 Å²	70.7	29%	0.289	38%	0.38	S	S	.	.			trans	-69.2	136.5	179.3	0	0	0	0	0	110.8	G284 L285	A274-G284 VanDerWaalsContact CB-O 3.29Å; A274-G284 WeakPolarHBondContact CB-O 3.36Å; A274-L285 WeakPolarHBondContact CB-O 3.2Å
275	Q	97.4	Very high	96.8	Very high	63 Å²	63	71.7 Å²	71.7	29%	0.294	39%	0.385	S	S	.	.	S	Bend	trans	-90.9	-17.2	179.1	-56.6	-61.8	-65.4	0	0	112.6	L127 K130 E273	L127-Q275 HydrophobicContact CD1-CB 4.44Å; L127-Q275 HydrophobicContact CD1-CG 3.93Å; K130-Q275 HydrophobicContact CB-CG 4.44Å; E273-Q275 PolarHBondContact O-NE2 3.13Å
276	M	97.6	Very high	96.8	Very high	56 Å²	56	73 Å²	73	28%	0.276	39%	0.39	S	S	.	.	S	Bend	trans	-116.8	108.1	-179.9	-76.2	69.4	61.2	0	0	110.6	E123 R286 S287	E123-M276 HydrophobicContact CG-CE 3.83Å; E123-M276 WeakPolarHBondContact OE1-CE 3.38Å; M276-R286 HydrophobicContact CE-CG 3.84Å; M276-S287 VanDerWaalsContact O-CB 3.3Å; M276-S287 WeakPolarHBondContact O-CB 3.37Å; M276-S287 PolarHBondContact O-OG 2.88Å
277	S	97.5	Very high	96.9	Very high	125 Å²	125	68 Å²	68	87%	0.874	37%	0.373	S	S	*	.			trans	-71.2	148.5	175.8	-60.7	0	0	0	0	112.2
278	G	96.6	Very high	97	Very high	60 Å²	60	59 Å²	59	62%	0.619	35%	0.349	S	S	*	.	S	Bend	trans	156.6	-151.9	178.5	0	0	0	0	0	112.5	G280 S287	G278-G280 PolarHBondContact O-N 2.88Å; G278-S287 WeakPolarHBondContact CA-OG 3.42Å; G278-S287 PolarHBondContact N-OG 2.93Å
279	G	95.3	Very high	97.2	Very high	67 Å²	67	59.4 Å²	59.4	69%	0.691	35%	0.35	S	S	*	.	S	Bend	trans	-72.3	10.3	-172.1	0	0	0	0	0	116.4
280	G	95.5	Very high	97.3	Very high	35 Å²	35	51.7 Å²	51.7	36%	0.361	32%	0.321	S	S	.	.			trans	74.1	26.4	174.7	0	0	0	0	0	114.7	G278 G284 S287	G278-G280 PolarHBondContact O-N 2.88Å; G280-G284 PolarHBondContact O-N 3.41Å; G280-S287 PolarHBondContact N-OG 2.84Å
281	Q	97.1	Very high	97.3	Very high	48 Å²	48	53.6 Å²	53.6	22%	0.224	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	165.7	169.9	-66.7	75.8	26.3	0	0	111.5	H83 R283 G284 R286 G288	H83-Q281 VanDerWaalsContact CE1-CG 3.4Å; H83-Q281 WeakPolarHBondContact CE1-CG 3.39Å; H83-Q281 WeakPolarHBondContact NE2-CG 3.43Å; Q281-R283 PolarHBondContact O-N 2.97Å; Q281-G284 PolarHBondContact O-N 3.35Å; Q281-R286 CarbonylContact C-O 3.38Å; Q281-R286 CarbonylContact O-C 3.53Å; Q281-G288 WeakPolarHBondContact CG-O 3.49Å
282	E	97.6	Very high	97.3	Very high	15 Å²	15	48.9 Å²	48.9	7%	0.07	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	49.6	45.2	-176.8	-60.7	-64.5	98.7	0	0	112.4	R101 V116 F117 G284 L285 R286 V290	R101-E282 IonicContact CZ-OE1 3.16Å; R101-E282 IonicContact CZ-OE2 2.85Å; R101-E282 IonicContact NH1-OE1 3.07Å; R101-E282 IonicContact NH1-OE2 3.68Å; R101-E282 PolarHBondContact NH1-OE2 2.87Å; R101-E282 IonicContact NH2-OE1 2.86Å; R101-E282 PolarHBondContact NH2-OE1 3.44Å; R101-E282 IonicContact NH2-OE2 3.22Å; R101-E282 PolarHBondContact NH2-OE2 3.09Å; V116-E282 WeakPolarHBondContact CA-OE2 3.42Å; V116-E282 HydrophobicContact CG1-CB 4Å; V116-E282 HydrophobicContact CG1-CG 4.45Å; F117-E282 PolarHBondContact N-OE2 2.92Å; E282-G284 PolarHBondContact O-N 2.97Å; E282-L285 PolarHBondContact O-N 2.8Å; E282-R286 HydrophobicContact CB-CB 3.96Å; E282-R286 HydrophobicContact CG-CB 4.23Å; E282-V290 HydrophobicContact CG-CG2 4.33Å
283	R	96	Very high	97.4	Very high	122 Å²	122	49.4 Å²	49.4	46%	0.46	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	62.2	31.8	177.1	-50.4	172.8	-176.6	85.4	7.8	113	I115 Q281 L285	I115-R283 PolarHBondContact O-NH1 3.25Å; Q281-R283 PolarHBondContact O-N 2.97Å; R283-L285 VanDerWaalsContact C-N 3.29Å; R283-L285 PolarHBondContact O-N 3.49Å
284	G	96.4	Very high	97.5	Very high	36 Å²	36	47.1 Å²	47.1	37%	0.371	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	80.5	2.7	179.8	0	0	0	0	0	114.6	A274 G280 Q281 E282	A274-G284 VanDerWaalsContact CB-O 3.29Å; A274-G284 WeakPolarHBondContact CB-O 3.36Å; G280-G284 PolarHBondContact O-N 3.41Å; Q281-G284 PolarHBondContact O-N 3.35Å; E282-G284 PolarHBondContact O-N 2.97Å
285	L	97.6	Very high	97.5	Very high	31 Å²	31	45.5 Å²	45.5	16%	0.162	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-27.3	-178.1	-65.3	177.9	0	0	0	113.1	V116 V264 L272 A274 E282 R283	V116-L285 HydrophobicContact CG1-CB 4.31Å; V116-L285 HydrophobicContact CG2-CB 4.27Å; V116-L285 HydrophobicContact CG2-CD1 3.7Å; V264-L285 HydrophobicContact CG2-CD1 4.41Å; L272-L285 HydrophobicContact CB-CD2 4.01Å; L272-L285 HydrophobicContact CD1-CD2 4.5Å; A274-L285 WeakPolarHBondContact CB-O 3.2Å; E282-L285 PolarHBondContact O-N 2.8Å; R283-L285 VanDerWaalsContact C-N 3.29Å; R283-L285 PolarHBondContact O-N 3.49Å
286	R	98.3	Very high	97.6	Very high	43 Å²	43	43.2 Å²	43.2	16%	0.162	29%	0.288	C	S	.	.	S	Bend	trans	-149.3	94.8	-176.9	-162.2	-76	-179.8	177.7	2.7	110	V116 F117 E123 M276 Q281 E282	V116-R286 HydrophobicContact CG1-CB 3.76Å; F117-R286 WeakPolarHBondContact O-CG 3.2Å; E123-R286 VanDerWaalsContact OE1-CG 3.25Å; E123-R286 WeakPolarHBondContact OE1-CG 3.31Å; E123-R286 IonicContact OE1-CZ 3.45Å; E123-R286 IonicContact OE1-NE 2.74Å; E123-R286 PolarHBondContact OE1-NE 3.31Å; E123-R286 IonicContact OE1-NH2 2.98Å; E123-R286 PolarHBondContact OE1-NH2 3.37Å; E123-R286 IonicContact OE2-CZ 2.95Å; E123-R286 IonicContact OE2-NE 2.73Å; E123-R286 IonicContact OE2-NH2 3.75Å; E123-R286 PolarHBondContact OE2-NH2 2.96Å; E123-R286 VanDerWaalsContact OE2-NH2 3.15Å; M276-R286 HydrophobicContact CE-CG 3.84Å; Q281-R286 CarbonylContact C-O 3.38Å; Q281-R286 CarbonylContact O-C 3.53Å; E282-R286 HydrophobicContact CB-CB 3.96Å; E282-R286 HydrophobicContact CG-CB 4.23Å
287	S	98	Very high	97.7	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.084	28%	0.275	C	S	.	.			trans	-71.4	156.8	177.8	-59.5	0	0	0	0	112.5	M276 G278 G280	M276-S287 VanDerWaalsContact O-CB 3.3Å; M276-S287 WeakPolarHBondContact O-CB 3.37Å; M276-S287 PolarHBondContact O-OG 2.88Å; G278-S287 WeakPolarHBondContact CA-OG 3.42Å; G278-S287 PolarHBondContact N-OG 2.93Å; G280-S287 PolarHBondContact N-OG 2.84Å
288	G	97.6	Very high	97.7	Very high	30 Å²	30	34.7 Å²	34.7	31%	0.309	23%	0.233	S	C	.	.	S	Bend	trans	117	160	178.7	0	0	0	0	0	113.3	Q281 V290	Q281-G288 WeakPolarHBondContact CG-O 3.49Å; G288-V290 PolarHBondContact O-N 2.96Å
289	T	98	Very high	97.8	Very high	87 Å²	87	31.9 Å²	31.9	53%	0.534	20%	0.204	S	C	.	.			trans	-61	131.6	177.6	-56	0	0	0	0	110.1	P291	T289-P291 WeakPolarHBondContact O-CD 3.41Å
290	V	98.4	Very high	98	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.03	17%	0.172	C	C	.	.			trans	-78.3	121.2	175.2	175.4	0	0	0	0	107.1	P82 H83 V97 F117 E282 G288 T292 V295	P82-V290 HydrophobicContact CG-CB 4.05Å; H83-V290 PolarHBondContact NE2-N 2.99Å; V97-V290 HydrophobicContact CG1-CG1 3.95Å; V97-V290 HydrophobicContact CG2-CG1 3.9Å; F117-V290 HydrophobicContact CD2-CG1 4.17Å; E282-V290 HydrophobicContact CG-CG2 4.33Å; G288-V290 PolarHBondContact O-N 2.96Å; V290-T292 PolarHBondContact O-N 2.82Å; V290-V295 HydrophobicContact CG1-CB 4.44Å; V290-V295 HydrophobicContact CG1-CG2 3.64Å
291	P	98.4	Very high	98.2	Very high	48 Å²	48	27.1 Å²	27.1	31%	0.312	16%	0.156	S	C	.	.			trans	-77.3	85.8	-174.5	31	-34.5	0	0	0	110.2	T289 P293 L294 V295	T289-P291 WeakPolarHBondContact O-CD 3.41Å; P291-P293 VanDerWaalsContact C-CD 3.45Å; P291-P293 VanDerWaalsContact O-N 3.15Å; P291-L294 HydrophobicContact CB-CB 4.22Å; P291-L294 HydrophobicContact CB-CD1 3.96Å; P291-L294 HydrophobicContact CB-CG 4.08Å; P291-L294 HydrophobicContact CG-CB 4.15Å; P291-L294 HydrophobicContact CG-CD1 4.04Å; P291-L294 HydrophobicContact CG-CG 4.39Å; P291-L294 PolarHBondContact O-N 3.4Å; P291-V295 PolarHBondContact O-N 3.31Å
292	T	98.7	Very high	98.2	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-44.7	-48.4	-173.6	-60.6	0	0	0	0	114.1	Y74 P82 A96 V97 V290 L294 V295 V296	Y74-T292 HydrophobicContact CD1-CG2 3.51Å; Y74-T292 HydrophobicContact CE1-CG2 4.04Å; Y74-T292 HydrophobicContact CG-CG2 4.09Å; P82-T292 WeakPolarHBondContact CD-OG1 3.09Å; P82-T292 WeakPolarHBondContact CG-OG1 3.42Å; A96-T292 HydrophobicContact CB-CG2 4.25Å; V97-T292 HydrophobicContact CG2-CG2 4.21Å; V290-T292 PolarHBondContact O-N 2.82Å; T292-L294 PolarHBondContact O-N 2.94Å; T292-V295 PolarHBondContact O-N 3.26Å; T292-V296 HydrophobicContact CG2-CG2 4.18Å; T292-V296 WeakPolarHBondContact O-CB 3.22Å; T292-V296 VanDerWaalsContact O-CG2 3.26Å; T292-V296 WeakPolarHBondContact O-CG2 3.33Å; T292-V296 PolarHBondContact O-N 3.46Å
293	P	98.7	Very high	98.3	Very high	23 Å²	23	28.6 Å²	28.6	15%	0.149	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-42.7	179.2	-20	30.3	0	0	0	113	M71 F75 P291 V296 G297	M71-P293 WeakPolarHBondContact CG-O 3.41Å; F75-P293 HydrophobicContact CD1-CB 4.23Å; F75-P293 HydrophobicContact CD1-CG 4.07Å; F75-P293 HydrophobicContact CD2-CB 3.96Å; F75-P293 HydrophobicContact CE1-CB 3.82Å; F75-P293 HydrophobicContact CE1-CG 3.93Å; F75-P293 HydrophobicContact CE2-CB 3.54Å; F75-P293 HydrophobicContact CE2-CG 4.39Å; F75-P293 HydrophobicContact CG-CB 4.3Å; F75-P293 HydrophobicContact CG-CG 4.36Å; F75-P293 HydrophobicContact CZ-CB 3.46Å; F75-P293 VanDerWaalsContact CZ-CB 3.46Å; F75-P293 HydrophobicContact CZ-CG 4.11Å; P291-P293 VanDerWaalsContact C-CD 3.45Å; P291-P293 VanDerWaalsContact O-N 3.15Å; P293-V296 PolarHBondContact O-N 3.02Å; P293-G297 PolarHBondContact O-N 3.42Å
294	L	98.8	Very high	98.4	Very high	43 Å²	43	23.3 Å²	23.3	23%	0.225	14%	0.139	C	C	.	.	H	α-helix	trans	-69	-40.8	-179.3	-54.9	-176.2	0	0	0	111.3	M71 P256 V259 P291 T292 G297 F298	M71-L294 HydrophobicContact CE-CD2 3.86Å; P256-L294 HydrophobicContact CB-CD2 4.08Å; P256-L294 HydrophobicContact CG-CB 4.42Å; P256-L294 HydrophobicContact CG-CD2 4.38Å; P256-L294 WeakPolarHBondContact CG-O 3.4Å; V259-L294 HydrophobicContact CB-CB 3.9Å; V259-L294 HydrophobicContact CG1-CB 4.15Å; V259-L294 HydrophobicContact CG2-CB 4.3Å; P291-L294 HydrophobicContact CB-CB 4.22Å; P291-L294 HydrophobicContact CB-CD1 3.96Å; P291-L294 HydrophobicContact CB-CG 4.08Å; P291-L294 HydrophobicContact CG-CB 4.15Å; P291-L294 HydrophobicContact CG-CD1 4.04Å; P291-L294 HydrophobicContact CG-CG 4.39Å; P291-L294 PolarHBondContact O-N 3.4Å; T292-L294 PolarHBondContact O-N 2.94Å; L294-G297 PolarHBondContact O-N 3.29Å; L294-F298 WeakPolarHBondContact O-CB 3.25Å; L294-F298 PolarHBondContact O-N 3.4Å
295	V	98.7	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-43.1	176.9	165	0	0	0	0	111.3	V97 A100 F117 V259 V290 P291 T292 G297 F298 G299	V97-V295 HydrophobicContact CB-CG1 4.42Å; V97-V295 HydrophobicContact CG1-CG1 4.31Å; V97-V295 HydrophobicContact CG2-CG1 4.23Å; A100-V295 HydrophobicContact CB-CG1 3.6Å; A100-V295 VanDerWaalsContact CB-O 3.26Å; A100-V295 WeakPolarHBondContact CB-O 3.17Å; F117-V295 HydrophobicContact CB-CG2 4.42Å; F117-V295 HydrophobicContact CD1-CG1 4.31Å; F117-V295 HydrophobicContact CD1-CG2 3.82Å; F117-V295 HydrophobicContact CD2-CG1 4.21Å; F117-V295 HydrophobicContact CD2-CG2 4.06Å; F117-V295 HydrophobicContact CE1-CB 4.4Å; F117-V295 HydrophobicContact CE1-CG1 3.69Å; F117-V295 HydrophobicContact CE1-CG2 4.04Å; F117-V295 HydrophobicContact CE2-CG1 3.57Å; F117-V295 HydrophobicContact CE2-CG2 4.26Å; F117-V295 HydrophobicContact CG-CG2 3.84Å; F117-V295 HydrophobicContact CZ-CB 4.37Å; F117-V295 HydrophobicContact CZ-CG1 3.28Å; F117-V295 HydrophobicContact CZ-CG2 4.26Å; V259-V295 HydrophobicContact CG2-CG2 4.16Å; V290-V295 HydrophobicContact CG1-CB 4.44Å; V290-V295 HydrophobicContact CG1-CG2 3.64Å; P291-V295 PolarHBondContact O-N 3.31Å; T292-V295 PolarHBondContact O-N 3.26Å; V295-G297 VanDerWaalsContact C-N 3.34Å; V295-G297 PolarHBondContact O-N 2.66Å; V295-F298 PolarHBondContact O-N 3.45Å; V295-G299 PolarHBondContact O-N 3.07Å
296	V	98.9	Very high	98.5	Very high	16 Å²	16	24.3 Å²	24.3	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-45.9	175	169.7	0	0	0	0	110.9	A70 Y74 A96 T292 P293 F298 G299 A300	A70-V296 HydrophobicContact CB-CG1 4.17Å; A70-V296 VanDerWaalsContact O-CG1 3.27Å; A70-V296 WeakPolarHBondContact O-CG1 3.44Å; Y74-V296 HydrophobicContact CD1-CG2 4.46Å; Y74-V296 HydrophobicContact CD2-CB 4.13Å; Y74-V296 HydrophobicContact CD2-CG1 3.96Å; Y74-V296 HydrophobicContact CD2-CG2 3.95Å; Y74-V296 HydrophobicContact CE1-CG2 4.24Å; Y74-V296 HydrophobicContact CE2-CB 4.09Å; Y74-V296 HydrophobicContact CE2-CG1 3.62Å; Y74-V296 HydrophobicContact CE2-CG2 3.73Å; Y74-V296 HydrophobicContact CG-CG2 4.32Å; A96-V296 HydrophobicContact CB-CG2 3.78Å; T292-V296 HydrophobicContact CG2-CG2 4.18Å; T292-V296 WeakPolarHBondContact O-CB 3.22Å; T292-V296 VanDerWaalsContact O-CG2 3.26Å; T292-V296 WeakPolarHBondContact O-CG2 3.33Å; T292-V296 PolarHBondContact O-N 3.46Å; P293-V296 PolarHBondContact O-N 3.02Å; V296-F298 VanDerWaalsContact C-N 3.28Å; V296-F298 PolarHBondContact O-N 2.95Å; V296-G299 PolarHBondContact O-N 2.8Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.88Å
297	G	98.9	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-40.1	175.8	0	0	0	0	0	112.6	V67 P293 L294 V295 A300 A301	V67-G297 VanDerWaalsContact CG1-O 3.28Å; V67-G297 WeakPolarHBondContact CG1-O 3.35Å; P293-G297 PolarHBondContact O-N 3.42Å; L294-G297 PolarHBondContact O-N 3.29Å; V295-G297 VanDerWaalsContact C-N 3.34Å; V295-G297 PolarHBondContact O-N 2.66Å; G297-A300 PolarHBondContact O-N 2.76Å; G297-A301 WeakPolarHBondContact O-CB 3.48Å; G297-A301 PolarHBondContact O-N 3.2Å
298	F	98.9	Very high	98.5	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-44.9	176.3	-170.4	-160.9	0	0	0	112.1	L104 F117 I248 G250 I253 V259 G260 A261 L294 V295 V296 A300 A301 C302	L104-F298 HydrophobicContact CD1-CD1 4.22Å; L104-F298 HydrophobicContact CD1-CD2 4.33Å; L104-F298 HydrophobicContact CD1-CE1 3.55Å; L104-F298 HydrophobicContact CD1-CE2 3.68Å; L104-F298 HydrophobicContact CD1-CZ 3.26Å; F117-F298 HydrophobicContact CE1-CD1 4.32Å; I248-F298 HydrophobicContact CB-CZ 4.16Å; I248-F298 HydrophobicContact CG2-CE2 4.19Å; I248-F298 HydrophobicContact CG2-CZ 3.7Å; G250-F298 VanDerWaalsContact CA-CD2 3.43Å; I253-F298 HydrophobicContact CD1-CD2 4.13Å; I253-F298 HydrophobicContact CD1-CE2 3.76Å; I253-F298 HydrophobicContact CG1-CE2 4.35Å; V259-F298 HydrophobicContact CG1-CB 3.87Å; V259-F298 HydrophobicContact CG1-CD1 4.3Å; V259-F298 HydrophobicContact CG1-CG 4.17Å; V259-F298 HydrophobicContact CG2-CB 4.32Å; V259-F298 HydrophobicContact CG2-CD1 3.91Å; V259-F298 HydrophobicContact CG2-CG 4.49Å; G260-F298 VanDerWaalsContact C-CE1 3.44Å; A261-F298 HydrophobicContact CB-CE1 3.82Å; A261-F298 HydrophobicContact CB-CZ 4.45Å; L294-F298 WeakPolarHBondContact O-CB 3.25Å; L294-F298 PolarHBondContact O-N 3.4Å; V295-F298 PolarHBondContact O-N 3.45Å; V296-F298 VanDerWaalsContact C-N 3.28Å; V296-F298 PolarHBondContact O-N 2.95Å; F298-A300 PolarHBondContact O-N 2.83Å; F298-A301 WeakPolarHBondContact O-CB 3.44Å; F298-A301 PolarHBondContact O-N 2.84Å; F298-C302 PolarHBondContact O-N 3.12Å; F298-C302 PolarHBondContact O-SG 2.87Å
299	G	98.8	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-42.9	174.5	0	0	0	0	0	112.6	D103 V295 V296 A301 C302 R303	D103-G299 WeakPolarHBondContact CB-O 3.46Å; V295-G299 PolarHBondContact O-N 3.07Å; V296-G299 PolarHBondContact O-N 2.8Å; G299-A301 VanDerWaalsContact C-N 3.34Å; G299-A301 PolarHBondContact O-N 2.72Å; G299-C302 WeakPolarHBondContact O-CB 3.05Å; G299-C302 PolarHBondContact O-N 2.79Å; G299-R303 PolarHBondContact O-N 3.09Å
300	A	98.9	Very high	98.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-42.7	174.4	0	0	0	0	0	112	V67 A70 V296 G297 F298 C302 R303 I304	V67-A300 HydrophobicContact CG2-CB 4.18Å; A70-A300 HydrophobicContact CB-CB 3.84Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.88Å; G297-A300 PolarHBondContact O-N 2.76Å; F298-A300 PolarHBondContact O-N 2.83Å; A300-C302 VanDerWaalsContact C-N 3.33Å; A300-C302 PolarHBondContact O-N 2.82Å; A300-R303 PolarHBondContact O-N 2.98Å; A300-I304 WeakPolarHBondContact O-CD1 3.42Å; A300-I304 VanDerWaalsContact O-CG1 3.27Å; A300-I304 WeakPolarHBondContact O-CG1 3.33Å; A300-I304 PolarHBondContact O-N 2.9Å
301	A	98.9	Very high	98.5	Very high	2 Å²	2	40 Å²	40	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-43.1	175.4	0	0	0	0	0	111.2	V67 I253 G297 F298 G299 I304 C305	V67-A301 HydrophobicContact CG2-CB 3.78Å; I253-A301 HydrophobicContact CD1-CB 4.18Å; I253-A301 HydrophobicContact CG1-CB 4.21Å; G297-A301 WeakPolarHBondContact O-CB 3.48Å; G297-A301 PolarHBondContact O-N 3.2Å; F298-A301 WeakPolarHBondContact O-CB 3.44Å; F298-A301 PolarHBondContact O-N 2.84Å; G299-A301 VanDerWaalsContact C-N 3.34Å; G299-A301 PolarHBondContact O-N 2.72Å; A301-I304 PolarHBondContact O-N 3.1Å; A301-C305 WeakPolarHBondContact O-CB 3.42Å; A301-C305 PolarHBondContact O-N 3.45Å; A301-C305 PolarHBondContact O-SG 2.85Å
302	C	98.8	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.7	-65.9	0	0	0	0	113	D103 L104 L107 F298 G299 A300 C305 R306	D103-C302 HydrophobicContact CB-CB 4.49Å; L104-C302 WeakPolarHBondContact CD1-SG 3.08Å; L107-C302 HydrophobicContact CB-CB 4.31Å; L107-C302 HydrophobicContact CD2-CB 3.76Å; F298-C302 PolarHBondContact O-N 3.12Å; F298-C302 PolarHBondContact O-SG 2.87Å; G299-C302 WeakPolarHBondContact O-CB 3.05Å; G299-C302 PolarHBondContact O-N 2.79Å; A300-C302 VanDerWaalsContact C-N 3.33Å; A300-C302 PolarHBondContact O-N 2.82Å; C302-C305 PolarHBondContact O-N 2.88Å; C302-R306 WeakPolarHBondContact O-CB 3.43Å; C302-R306 PolarHBondContact O-N 2.87Å
303	R	98.6	Very high	98.4	Very high	93 Å²	93	41.9 Å²	41.9	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-59.7	-49.5	175.9	178.5	169.1	67.7	-108.1	-1.8	111.3	D103 G299 A300 C305 R306 D307	D103-R303 HydrophobicContact CB-CB 4.41Å; D103-R303 IonicContact OD2-CZ 2.66Å; D103-R303 IonicContact OD2-NH1 3.91Å; D103-R303 PolarHBondContact OD2-NH1 3.28Å; G299-R303 PolarHBondContact O-N 3.09Å; A300-R303 PolarHBondContact O-N 2.98Å; R303-C305 PolarHBondContact O-N 3.43Å; R303-R306 WeakPolarHBondContact O-CB 3.31Å; R303-R306 PolarHBondContact O-N 3.48Å; R303-D307 PolarHBondContact O-N 2.8Å; R303-D307 VanDerWaalsContact O-N 3.11Å
304	I	98.7	Very high	98.4	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-47.8	178	-67.3	161.4	0	0	0	110.5	R66 V67 A300 A301 R306 D307 E308 R395	R66-I304 HydrophobicContact CB-CD1 3.74Å; R66-I304 VanDerWaalsContact NH2-CG2 3.25Å; V67-I304 HydrophobicContact CG2-CD1 3.81Å; A300-I304 WeakPolarHBondContact O-CD1 3.42Å; A300-I304 VanDerWaalsContact O-CG1 3.27Å; A300-I304 WeakPolarHBondContact O-CG1 3.33Å; A300-I304 PolarHBondContact O-N 2.9Å; A301-I304 PolarHBondContact O-N 3.1Å; I304-R306 VanDerWaalsContact C-N 3.28Å; I304-R306 PolarHBondContact O-N 3.04Å; I304-D307 PolarHBondContact O-N 2.86Å; I304-D307 VanDerWaalsContact O-N 3.16Å; I304-E308 HydrophobicContact CG2-CG 4.37Å; I304-E308 VanDerWaalsContact CG2-OE2 3.26Å; I304-E308 WeakPolarHBondContact CG2-OE2 3.33Å; I304-E308 WeakPolarHBondContact O-CB 3.37Å; I304-E308 PolarHBondContact O-N 3.4Å; I304-R395 VanDerWaalsContact CG2-NH1 3.3Å
305	C	98.3	Very high	98.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-36.5	177.2	-78.9	0	0	0	0	112.7	A301 C302 R303 D307 M309	A301-C305 WeakPolarHBondContact O-CB 3.42Å; A301-C305 PolarHBondContact O-N 3.45Å; A301-C305 PolarHBondContact O-SG 2.85Å; C302-C305 PolarHBondContact O-N 2.88Å; R303-C305 PolarHBondContact O-N 3.43Å; C305-D307 VanDerWaalsContact C-N 3.32Å; C305-M309 WeakPolarHBondContact O-CA 3.43Å; C305-M309 WeakPolarHBondContact O-CB 2.97Å; C305-M309 PolarHBondContact O-N 2.78Å
306	R	97.7	Very high	98.2	Very high	87 Å²	87	44.2 Å²	44.2	33%	0.328	21%	0.21	S	C	.	.	H	α-helix	trans	-63.3	-41.2	175.8	-174.9	-171.5	63.1	-136.6	-4.5	111.5	D103 D106 L107 C302 R303 I304	D103-R306 IonicContact OD1-NH1 3.12Å; D106-R306 IonicContact OD2-NH1 2.8Å; L107-R306 HydrophobicContact CD1-CB 3.87Å; C302-R306 WeakPolarHBondContact O-CB 3.43Å; C302-R306 PolarHBondContact O-N 2.87Å; R303-R306 WeakPolarHBondContact O-CB 3.31Å; R303-R306 PolarHBondContact O-N 3.48Å; I304-R306 VanDerWaalsContact C-N 3.28Å; I304-R306 PolarHBondContact O-N 3.04Å
307	D	98	Very high	98.1	Very high	108 Å²	108	47.4 Å²	47.4	58%	0.578	22%	0.223	S	C	*	.	H	α-helix	trans	-82.6	-28	-173.9	-56.7	-14.6	0	0	0	112	R303 I304 C305	R303-D307 PolarHBondContact O-N 2.8Å; R303-D307 VanDerWaalsContact O-N 3.11Å; I304-D307 PolarHBondContact O-N 2.86Å; I304-D307 VanDerWaalsContact O-N 3.16Å; C305-D307 VanDerWaalsContact C-N 3.32Å
308	E	98.1	Very high	98.1	Very high	52 Å²	52	51.1 Å²	51.1	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-108.8	-0.8	-175.2	-62.1	-174.3	163.3	0	0	114.8	R66 I304 E310 F311 D312 R395	R66-E308 IonicContact CZ-OE1 3.2Å; R66-E308 IonicContact CZ-OE2 2.67Å; R66-E308 IonicContact NH1-OE1 2.95Å; R66-E308 PolarHBondContact NH1-OE1 3.06Å; R66-E308 IonicContact NH1-OE2 3.92Å; R66-E308 IonicContact NH2-OE1 2.63Å; R66-E308 PolarHBondContact NH2-OE1 2.96Å; R66-E308 IonicContact NH2-OE2 3.71Å; R66-E308 PolarHBondContact NH2-OE2 3.07Å; I304-E308 HydrophobicContact CG2-CG 4.37Å; I304-E308 VanDerWaalsContact CG2-OE2 3.26Å; I304-E308 WeakPolarHBondContact CG2-OE2 3.33Å; I304-E308 WeakPolarHBondContact O-CB 3.37Å; I304-E308 PolarHBondContact O-N 3.4Å; E308-E310 VanDerWaalsContact C-N 3.3Å; E308-E310 PolarHBondContact O-N 3.32Å; E308-F311 PolarHBondContact O-N 2.66Å; E308-F311 VanDerWaalsContact O-N 3.15Å; E308-D312 PolarHBondContact O-N 3.49Å; E308-R395 IonicContact OE2-CZ 3.59Å; E308-R395 IonicContact OE2-NE 3.41Å; E308-R395 IonicContact OE2-NH1 3.55Å; E308-R395 IonicContact OE2-NH2 2.64Å
309	M	97.9	Very high	98	Very high	26 Å²	26	51.4 Å²	51.4	13%	0.128	25%	0.25	C	S	.	.	H	α-helix	trans	-51.3	-46.7	-172	-161.6	176.1	-61.8	0	0	113.5	L107 P235 C305 Y313	L107-M309 HydrophobicContact CD1-CE 3.7Å; P235-M309 HydrophobicContact CG-SD 4.41Å; C305-M309 WeakPolarHBondContact O-CA 3.43Å; C305-M309 WeakPolarHBondContact O-CB 2.97Å; C305-M309 PolarHBondContact O-N 2.78Å; M309-Y313 VanDerWaalsContact O-CB 3.25Å; M309-Y313 WeakPolarHBondContact O-CB 3.41Å; M309-Y313 PolarHBondContact O-N 2.79Å
310	E	97.7	Very high	97.9	Very high	172 Å²	172	51.4 Å²	51.4	80%	0.804	25%	0.25	S	S	*	.	H	α-helix	trans	-67.5	-42.3	-175.5	-173	177.3	179.2	0	0	111.4	E308 Y313 A314	E308-E310 VanDerWaalsContact C-N 3.3Å; E308-E310 PolarHBondContact O-N 3.32Å; E310-Y313 PolarHBondContact O-N 3.16Å; E310-A314 WeakPolarHBondContact O-CB 3.5Å; E310-A314 PolarHBondContact O-N 2.98Å
311	F	98.1	Very high	97.7	Very high	148 Å²	148	54 Å²	54	65%	0.649	26%	0.264	S	S	*	.	H	α-helix	trans	-64.2	-49.5	176	177.3	-92.5	0	0	0	111.1	E308 Y313 A314 H315	E308-F311 PolarHBondContact O-N 2.66Å; E308-F311 VanDerWaalsContact O-N 3.15Å; F311-Y313 VanDerWaalsContact C-N 3.31Å; F311-Y313 PolarHBondContact O-N 2.91Å; F311-A314 PolarHBondContact O-N 3.38Å; F311-H315 WeakPolarHBondContact O-CB 3.41Å; F311-H315 PolarHBondContact O-N 3.18Å
312	D	97.6	Very high	97.6	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.053	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-43.2	178	-80.1	-12.5	0	0	0	111.1	E308 H315 V316 R395	E308-D312 PolarHBondContact O-N 3.49Å; D312-H315 PolarHBondContact O-N 3.39Å; D312-V316 WeakPolarHBondContact O-CB 3.43Å; D312-V316 WeakPolarHBondContact O-CG2 3.3Å; D312-V316 PolarHBondContact O-N 2.8Å; D312-R395 WeakPolarHBondContact OD1-CG 3.14Å; D312-R395 IonicContact OD1-NE 3.89Å; D312-R395 PolarHBondContact OD1-NE 2.82Å; D312-R395 IonicContact OD2-CZ 2.75Å; D312-R395 IonicContact OD2-NE 3.63Å; D312-R395 PolarHBondContact OD2-NE 2.73Å; D312-R395 IonicContact OD2-NH2 3.74Å; D312-R395 PolarHBondContact OD2-NH2 3.45Å
313	Y	97.5	Very high	97.4	Very high	84 Å²	84	59.3 Å²	59.3	33%	0.329	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-46.4	178.7	-172.4	-84.5	0	0	0	111.6	I234 M309 E310 F311 K317 Y344 P345	I234-Y313 HydrophobicContact CG2-CD2 4.4Å; I234-Y313 HydrophobicContact CG2-CE2 4.06Å; M309-Y313 VanDerWaalsContact O-CB 3.25Å; M309-Y313 WeakPolarHBondContact O-CB 3.41Å; M309-Y313 PolarHBondContact O-N 2.79Å; E310-Y313 PolarHBondContact O-N 3.16Å; F311-Y313 VanDerWaalsContact C-N 3.31Å; F311-Y313 PolarHBondContact O-N 2.91Å; Y313-K317 WeakPolarHBondContact O-CB 3.37Å; Y313-K317 PolarHBondContact O-N 2.91Å; Y313-Y344 HydrophobicContact CD2-CD2 4.44Å; Y313-Y344 AromaticContact CD2-CE2 3.85Å; Y313-Y344 HydrophobicContact CD2-CE2 3.85Å; Y313-Y344 HydrophobicContact CE2-CD2 4.13Å; Y313-Y344 HydrophobicContact CE2-CE2 4Å; Y313-P345 HydrophobicContact CD2-CG 4.39Å; Y313-P345 HydrophobicContact CE1-CG 4.25Å; Y313-P345 HydrophobicContact CE2-CG 3.81Å
314	A	97.8	Very high	97.1	Very high	59 Å²	59	55.6 Å²	55.6	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-43.3	178.5	0	0	0	0	0	111.9	E310 F311 K317 S318	E310-A314 WeakPolarHBondContact O-CB 3.5Å; E310-A314 PolarHBondContact O-N 2.98Å; F311-A314 PolarHBondContact O-N 3.38Å; A314-K317 PolarHBondContact O-N 3.11Å; A314-S318 PolarHBondContact O-N 3.24Å
315	H	97.6	Very high	96.9	Very high	55 Å²	55	59.7 Å²	59.7	26%	0.255	29%	0.292	S	S	.	.	H	α-helix	trans	-60.1	-54.6	176	179	64.9	0	0	0	111.5	F311 D312 K317 S318 L319 T397	F311-H315 WeakPolarHBondContact O-CB 3.41Å; F311-H315 PolarHBondContact O-N 3.18Å; D312-H315 PolarHBondContact O-N 3.39Å; H315-K317 VanDerWaalsContact C-N 3.3Å; H315-K317 PolarHBondContact O-N 2.94Å; H315-S318 PolarHBondContact O-N 2.99Å; H315-L319 VanDerWaalsContact NE2-CD1 3.34Å; H315-L319 WeakPolarHBondContact NE2-CD1 3.03Å; H315-L319 WeakPolarHBondContact O-CG 3.45Å; H315-L319 PolarHBondContact O-N 3.28Å; H315-T397 PolarHBondContact CE1-O 3.46Å; H315-T397 PolarHBondContact NE2-O 3.26Å
316	V	97.1	Very high	96.8	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-37.1	-179.7	175.7	0	0	0	0	111	D312 L319 S320 Y344 P345 I393	D312-V316 WeakPolarHBondContact O-CB 3.43Å; D312-V316 WeakPolarHBondContact O-CG2 3.3Å; D312-V316 PolarHBondContact O-N 2.8Å; V316-L319 PolarHBondContact O-N 2.96Å; V316-S320 WeakPolarHBondContact O-CB 3.29Å; V316-S320 PolarHBondContact O-N 2.9Å; V316-Y344 HydrophobicContact CG1-CE1 4.34Å; V316-P345 WeakPolarHBondContact CG1-O 3.43Å; V316-I393 HydrophobicContact CB-CG2 4.45Å; V316-I393 HydrophobicContact CG1-CB 4.2Å; V316-I393 HydrophobicContact CG1-CG2 4.01Å; V316-I393 HydrophobicContact CG2-CG2 4.32Å
317	K	96.5	Very high	96.5	Very high	83 Å²	83	56.3 Å²	56.3	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-50.8	173.6	-177.7	63.5	169.3	113.9	0	112	Y313 A314 H315 L319 S320 D321 P345	Y313-K317 WeakPolarHBondContact O-CB 3.37Å; Y313-K317 PolarHBondContact O-N 2.91Å; A314-K317 PolarHBondContact O-N 3.11Å; H315-K317 VanDerWaalsContact C-N 3.3Å; H315-K317 PolarHBondContact O-N 2.94Å; K317-L319 VanDerWaalsContact C-N 3.29Å; K317-L319 PolarHBondContact O-N 3.35Å; K317-S320 PolarHBondContact O-N 2.69Å; K317-D321 WeakPolarHBondContact CE-OD2 3.43Å; K317-D321 IonicContact NZ-OD1 3.15Å; K317-D321 PolarHBondContact NZ-OD1 2.61Å; K317-D321 IonicContact NZ-OD2 2.73Å; K317-D321 PolarHBondContact NZ-OD2 2.8Å; K317-D321 VanDerWaalsContact O-CG 3.31Å; K317-D321 PolarHBondContact O-N 2.74Å; K317-P345 HydrophobicContact CB-CB 4.06Å; K317-P345 HydrophobicContact CB-CG 4Å; K317-P345 HydrophobicContact CD-CB 3.48Å; K317-P345 VanDerWaalsContact CD-CB 3.48Å; K317-P345 HydrophobicContact CD-CG 3.83Å; K317-P345 HydrophobicContact CG-CB 4.38Å
318	S	97.7	Very high	96.1	Very high	77 Å²	77	55.4 Å²	55.4	54%	0.538	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-42.9	178.6	-175.3	0	0	0	0	111.9	A314 H315 R322	A314-S318 PolarHBondContact O-N 3.24Å; H315-S318 PolarHBondContact O-N 2.99Å; S318-R322 WeakPolarHBondContact O-CB 3.31Å; S318-R322 PolarHBondContact O-N 3.41Å; S318-R322 VanDerWaalsContact O-N 3.11Å
319	L	97.9	Very high	95.9	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-71.6	-38.3	179.5	-69.4	-172	0	0	0	112.8	H315 V316 K317 R322 L323 I393 T397 A399 V402	H315-L319 VanDerWaalsContact NE2-CD1 3.34Å; H315-L319 WeakPolarHBondContact NE2-CD1 3.03Å; H315-L319 WeakPolarHBondContact O-CG 3.45Å; H315-L319 PolarHBondContact O-N 3.28Å; V316-L319 PolarHBondContact O-N 2.96Å; K317-L319 VanDerWaalsContact C-N 3.29Å; K317-L319 PolarHBondContact O-N 3.35Å; L319-R322 PolarHBondContact O-N 3.04Å; L319-L323 WeakPolarHBondContact O-CB 3.46Å; L319-L323 PolarHBondContact O-N 3.28Å; L319-I393 HydrophobicContact CB-CD1 4.1Å; L319-I393 HydrophobicContact CB-CG2 3.79Å; L319-I393 HydrophobicContact CD1-CG2 3.87Å; L319-T397 HydrophobicContact CD1-CG2 4.09Å; L319-T397 VanDerWaalsContact CD1-O 3.27Å; L319-T397 WeakPolarHBondContact CD1-O 3.12Å; L319-A399 HydrophobicContact CD2-CB 4.01Å; L319-V402 HydrophobicContact CB-CG2 4.11Å; L319-V402 HydrophobicContact CD1-CG2 4.47Å; L319-V402 HydrophobicContact CD2-CG2 4.13Å; L319-V402 HydrophobicContact CG-CG2 4.48Å
320	S	95.8	Very high	95.6	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-44	175.9	-172.6	0	0	0	0	111.5	V316 K317 R322 L323 I324 G346	V316-S320 WeakPolarHBondContact O-CB 3.29Å; V316-S320 PolarHBondContact O-N 2.9Å; K317-S320 PolarHBondContact O-N 2.69Å; S320-R322 VanDerWaalsContact C-N 3.33Å; S320-L323 PolarHBondContact O-N 3.36Å; S320-I324 WeakPolarHBondContact O-CB 3.5Å; S320-I324 VanDerWaalsContact O-CG1 3.27Å; S320-I324 WeakPolarHBondContact O-CG1 3.39Å; S320-I324 PolarHBondContact O-N 2.94Å; S320-G346 VanDerWaalsContact CB-N 3.27Å; S320-G346 PolarHBondContact OG-N 2.94Å
321	D	95.5	Very high	95	Very high	56 Å²	56	51.8 Å²	51.8	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-40.9	177.8	-69.2	-14.2	0	0	0	110.9	K317 L323 N325	K317-D321 WeakPolarHBondContact CE-OD2 3.43Å; K317-D321 IonicContact NZ-OD1 3.15Å; K317-D321 PolarHBondContact NZ-OD1 2.61Å; K317-D321 IonicContact NZ-OD2 2.73Å; K317-D321 PolarHBondContact NZ-OD2 2.8Å; K317-D321 VanDerWaalsContact O-CG 3.31Å; K317-D321 PolarHBondContact O-N 2.74Å; D321-L323 PolarHBondContact O-N 3.37Å; D321-N325 WeakPolarHBondContact O-CB 3.18Å; D321-N325 PolarHBondContact O-N 3.46Å; D321-N325 PolarHBondContact O-ND2 3.24Å; D321-N325 VanDerWaalsContact O-ND2 3.1Å
322	R	96.8	Very high	94.3	Very high	112 Å²	112	50.1 Å²	50.1	42%	0.423	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-45.7	174.1	-172.3	177.7	-171.5	131.5	1.6	111.8	S318 L319 S320 G326 V402 D403	S318-R322 WeakPolarHBondContact O-CB 3.31Å; S318-R322 PolarHBondContact O-N 3.41Å; S318-R322 VanDerWaalsContact O-N 3.11Å; L319-R322 PolarHBondContact O-N 3.04Å; S320-R322 VanDerWaalsContact C-N 3.33Å; R322-G326 WeakPolarHBondContact O-CA 3.47Å; R322-G326 PolarHBondContact O-N 2.97Å; R322-V402 HydrophobicContact CB-CG1 4.16Å; R322-V402 HydrophobicContact CG-CG1 3.97Å; R322-D403 IonicContact CZ-OD1 3.67Å; R322-D403 IonicContact CZ-OD2 2.73Å; R322-D403 IonicContact NE-OD1 3.94Å; R322-D403 PolarHBondContact NE-OD1 3.22Å; R322-D403 IonicContact NE-OD2 3.82Å; R322-D403 IonicContact NH2-OD1 4Å; R322-D403 PolarHBondContact NH2-OD1 2.85Å; R322-D403 IonicContact NH2-OD2 3.62Å; R322-D403 PolarHBondContact NH2-OD2 3.43Å
323	L	95	Very high	93.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-49.4	179	-174.5	140.7	0	0	0	111.8	M55 L319 S320 D321 G326 I327 S348 L350 F391 I393 V402 T405 V406	M55-L323 HydrophobicContact CE-CD1 3.53Å; L319-L323 WeakPolarHBondContact O-CB 3.46Å; L319-L323 PolarHBondContact O-N 3.28Å; S320-L323 PolarHBondContact O-N 3.36Å; D321-L323 PolarHBondContact O-N 3.37Å; L323-G326 PolarHBondContact O-N 2.66Å; L323-I327 HydrophobicContact CD2-CD1 3.7Å; L323-I327 HydrophobicContact CG-CD1 4.06Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 3.45Å; L323-S348 WeakPolarHBondContact CD2-OG 3.43Å; L323-L350 HydrophobicContact CD2-CD1 4.45Å; L323-F391 HydrophobicContact CD1-CB 4.17Å; L323-F391 HydrophobicContact CD1-CD1 4.01Å; L323-F391 HydrophobicContact CD1-CG 4.2Å; L323-F391 HydrophobicContact CD2-CB 4.25Å; L323-F391 HydrophobicContact CD2-CD2 4.44Å; L323-F391 HydrophobicContact CD2-CG 4.19Å; L323-I393 HydrophobicContact CB-CD1 4.26Å; L323-I393 HydrophobicContact CD1-CD1 4.24Å; L323-V402 HydrophobicContact CB-CG1 3.77Å; L323-V402 HydrophobicContact CD1-CG1 4.45Å; L323-T405 HydrophobicContact CD1-CG2 4.31Å; L323-V406 HydrophobicContact CG-CG2 4.47Å
324	I	92.4	Very high	92.9	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.077	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-51	-178	-69	167.4	0	0	0	110.1	S320 G326 I327 Q328 L336	S320-I324 WeakPolarHBondContact O-CB 3.5Å; S320-I324 VanDerWaalsContact O-CG1 3.27Å; S320-I324 WeakPolarHBondContact O-CG1 3.39Å; S320-I324 PolarHBondContact O-N 2.94Å; I324-G326 VanDerWaalsContact C-N 3.3Å; I324-G326 PolarHBondContact O-N 2.87Å; I324-I327 PolarHBondContact O-N 3.02Å; I324-Q328 HydrophobicContact CG2-CG 4.36Å; I324-Q328 WeakPolarHBondContact O-CB 3.38Å; I324-Q328 WeakPolarHBondContact O-CG 3.22Å; I324-Q328 PolarHBondContact O-N 2.96Å; I324-L336 HydrophobicContact CD1-CD1 4.46Å; I324-L336 HydrophobicContact CD1-CD2 4.48Å
325	N	94.4	Very high	92.2	Very high	98 Å²	98	53.7 Å²	53.7	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-39.8	179.1	-66.9	-26.5	0	0	0	111.3	D321 S329	D321-N325 WeakPolarHBondContact O-CB 3.18Å; D321-N325 PolarHBondContact O-N 3.46Å; D321-N325 PolarHBondContact O-ND2 3.24Å; D321-N325 VanDerWaalsContact O-ND2 3.1Å; N325-S329 VanDerWaalsContact O-CB 3.27Å; N325-S329 WeakPolarHBondContact O-CB 3.27Å; N325-S329 PolarHBondContact O-N 3.46Å; N325-S329 PolarHBondContact O-OG 3.15Å
326	G	95.2	Very high	91.7	Very high	15 Å²	15	52.7 Å²	52.7	16%	0.155	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176.7	0	0	0	0	0	112.3	R322 L323 I324 S329 S330 V406	R322-G326 WeakPolarHBondContact O-CA 3.47Å; R322-G326 PolarHBondContact O-N 2.97Å; L323-G326 PolarHBondContact O-N 2.66Å; I324-G326 VanDerWaalsContact C-N 3.3Å; I324-G326 PolarHBondContact O-N 2.87Å; G326-S329 PolarHBondContact O-OG 3.23Å; G326-S329 VanDerWaalsContact O-OG 3.12Å; G326-S330 VanDerWaalsContact O-CB 3.26Å; G326-S330 WeakPolarHBondContact O-CB 3.23Å; G326-S330 PolarHBondContact O-N 3.05Å; G326-S330 PolarHBondContact O-OG 3.34Å; G326-V406 VanDerWaalsContact C-CG1 3.48Å
327	I	91.5	Very high	91.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-69.4	-47.8	178.8	-66.8	171.5	0	0	0	110.7	L323 I324 S329 S330 V331 A334 L350 F391 V406 C409	L323-I327 HydrophobicContact CD2-CD1 3.7Å; L323-I327 HydrophobicContact CG-CD1 4.06Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 3.45Å; I324-I327 PolarHBondContact O-N 3.02Å; I327-S329 VanDerWaalsContact C-N 3.27Å; I327-S329 PolarHBondContact O-N 2.75Å; I327-S330 PolarHBondContact O-N 3.05Å; I327-S330 VanDerWaalsContact O-N 3.11Å; I327-V331 HydrophobicContact CG2-CB 4.16Å; I327-V331 HydrophobicContact CG2-CG2 4.13Å; I327-V331 WeakPolarHBondContact O-CB 3.48Å; I327-V331 PolarHBondContact O-N 3.42Å; I327-A334 HydrophobicContact CG2-CB 4.05Å; I327-L350 HydrophobicContact CB-CD1 4Å; I327-L350 HydrophobicContact CD1-CB 4.32Å; I327-L350 HydrophobicContact CD1-CD1 3.57Å; I327-L350 HydrophobicContact CG1-CD1 4.38Å; I327-L350 HydrophobicContact CG2-CB 4.39Å; I327-L350 HydrophobicContact CG2-CD1 3.86Å; I327-L350 HydrophobicContact CG2-CD2 4.17Å; I327-L350 HydrophobicContact CG2-CG 4.36Å; I327-F391 HydrophobicContact CD1-CE2 4.23Å; I327-F391 HydrophobicContact CD1-CZ 4.22Å; I327-V406 HydrophobicContact CG1-CG2 4.29Å; I327-C409 HydrophobicContact CD1-CB 4.5Å; I327-C409 HydrophobicContact CG1-CB 4.35Å
328	Q	89.7	Confident	91	Very high	90 Å²	90	50.3 Å²	50.3	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-29.5	-177.2	-72.1	-176.2	-45.2	0	0	113.5	I324 A334	I324-Q328 HydrophobicContact CG2-CG 4.36Å; I324-Q328 WeakPolarHBondContact O-CB 3.38Å; I324-Q328 WeakPolarHBondContact O-CG 3.22Å; I324-Q328 PolarHBondContact O-N 2.96Å; Q328-A334 HydrophobicContact CG-CB 4.47Å
329	S	93.8	Very high	90.8	Very high	99 Å²	99	47.6 Å²	47.6	69%	0.692	26%	0.257	S	S	*	.	H	α-helix	trans	-79.4	-24.5	174.4	56.3	0	0	0	0	113.7	N325 G326 I327	N325-S329 VanDerWaalsContact O-CB 3.27Å; N325-S329 WeakPolarHBondContact O-CB 3.27Å; N325-S329 PolarHBondContact O-N 3.46Å; N325-S329 PolarHBondContact O-OG 3.15Å; G326-S329 PolarHBondContact O-OG 3.23Å; G326-S329 VanDerWaalsContact O-OG 3.12Å; I327-S329 VanDerWaalsContact C-N 3.27Å; I327-S329 PolarHBondContact O-N 2.75Å
330	S	91.2	Very high	90.4	Very high	68 Å²	68	51.9 Å²	51.9	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-105.7	-17.6	-173.5	-50.8	0	0	0	0	113.9	G326 I327	G326-S330 VanDerWaalsContact O-CB 3.26Å; G326-S330 WeakPolarHBondContact O-CB 3.23Å; G326-S330 PolarHBondContact O-N 3.05Å; G326-S330 PolarHBondContact O-OG 3.34Å; I327-S330 PolarHBondContact O-N 3.05Å; I327-S330 VanDerWaalsContact O-N 3.11Å
331	V	86.6	Confident	90.2	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.042	32%	0.32	C	S	.	.	S	Bend	trans	-123.4	108.2	-176.5	-179.7	0	0	0	0	109.1	I327 A334 A410 V413	I327-V331 HydrophobicContact CG2-CB 4.16Å; I327-V331 HydrophobicContact CG2-CG2 4.13Å; I327-V331 WeakPolarHBondContact O-CB 3.48Å; I327-V331 PolarHBondContact O-N 3.42Å; V331-A334 HydrophobicContact CB-CB 4.13Å; V331-A334 HydrophobicContact CG1-CB 4.13Å; V331-A334 WeakPolarHBondContact O-CB 3.12Å; V331-A334 PolarHBondContact O-N 3.3Å; V331-A410 HydrophobicContact CG2-CB 4.17Å; V331-V413 HydrophobicContact CG1-CB 4.29Å; V331-V413 HydrophobicContact CG1-CG1 3.68Å; V331-V413 HydrophobicContact CG1-CG2 4.43Å; V331-V413 HydrophobicContact CG2-CB 4.41Å
332	E	82.5	Confident	90.2	Very high	113 Å²	113	57.2 Å²	57.2	53%	0.528	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	143.2	175.6	-160.1	-175.1	177	0	0	110.5	A334 R417 W423	E332-A334 PolarHBondContact O-N 2.81Å; E332-R417 PolarHBondContact O-NH1 3.19Å; E332-R417 PolarHBondContact O-NH2 2.67Å; E332-W423 HydrophobicContact CB-CH2 4.38Å; E332-W423 WeakPolarHBondContact OE2-CZ2 3.4Å
333	H	81.8	Confident	90	Very high	107 Å²	107	52.8 Å²	52.8	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	24	-178.1	-59.1	-76.2	0	0	0	116.1	I335 W423 F426	H333-I335 PolarHBondContact O-N 2.97Å; H333-W423 AromaticContact CD2-CH2 3.86Å; H333-F426 AromaticContact CD2-CE1 3.78Å; H333-F426 AromaticContact CD2-CZ 3.94Å; H333-F426 AromaticContact CE1-CZ 3.55Å; H333-F426 AromaticContact NE2-CE1 3.32Å; H333-F426 VanDerWaalsContact NE2-CE1 3.32Å; H333-F426 WeakPolarHBondContact NE2-CE1 3.43Å; H333-F426 AromaticContact NE2-CZ 3.23Å; H333-F426 WeakPolarHBondContact NE2-CZ 3.45Å
334	A	83.3	Confident	89.7	Confident	20 Å²	20	53.1 Å²	53.1	17%	0.165	31%	0.306	C	S	.	.			trans	-71.8	118.6	168.9	0	0	0	0	0	111.4	I327 Q328 V331 E332 L350	I327-A334 HydrophobicContact CG2-CB 4.05Å; Q328-A334 HydrophobicContact CG-CB 4.47Å; V331-A334 HydrophobicContact CB-CB 4.13Å; V331-A334 HydrophobicContact CG1-CB 4.13Å; V331-A334 WeakPolarHBondContact O-CB 3.12Å; V331-A334 PolarHBondContact O-N 3.3Å; E332-A334 PolarHBondContact O-N 2.81Å; A334-L350 HydrophobicContact CB-CD2 3.99Å
335	I	84.1	Confident	88.7	Confident	100 Å²	100	52.7 Å²	52.7	51%	0.513	30%	0.304	S	S	.	.			trans	-109	132.3	-179.1	-58.1	171.9	0	0	0	109.8	H333 L350	H333-I335 PolarHBondContact O-N 2.97Å; I335-L350 WeakPolarHBondContact O-CD2 3.43Å
336	L	87.6	Confident	86.8	Confident	35 Å²	35	48 Å²	48	18%	0.183	28%	0.279	C	S	.	.			trans	-84.2	122.5	170.6	179.2	65	0	0	0	109.6	I324	I324-L336 HydrophobicContact CD1-CD1 4.46Å; I324-L336 HydrophobicContact CD1-CD2 4.48Å
337	N	88.4	Confident	85.1	Confident	22 Å²	22	47.3 Å²	47.3	12%	0.118	27%	0.272	C	S	.	.			trans	-81.8	139.2	173	-65.5	-75.8	0	0	0	111.9	I203 R343 L349 L375 I378	I203-N337 HydrophobicContact CG2-CB 3.93Å; N337-R343 PolarHBondContact O-NH1 2.87Å; N337-L349 HydrophobicContact CB-CB 4.09Å; N337-L349 HydrophobicContact CB-CD2 4.03Å; N337-L349 WeakPolarHBondContact ND2-CD2 3.2Å; N337-L349 PolarHBondContact ND2-O 3.1Å; N337-L375 HydrophobicContact CB-CD2 4.17Å; N337-I378 HydrophobicContact CB-CD1 4.2Å
338	G	90.2	Very high	83.5	Confident	11 Å²	11	47.2 Å²	47.2	11%	0.113	27%	0.271	C	S	.	.	S	Bend	trans	89.1	-179.4	-177.4	0	0	0	0	0	114	N175	N175-G338 CarbonylContact O-C 3.48Å; N175-G338 VanDerWaalsContact O-CA 3.31Å; N175-G338 WeakPolarHBondContact O-CA 3.43Å
339	D	93.1	Very high	81.7	Confident	20 Å²	20	43 Å²	43	11%	0.107	25%	0.252	C	S	.	.			trans	-71	133.8	-178.3	-163.1	-90.7	0	0	0	111.6	N175 V205 V341 S342 R343	N175-D339 HydrophobicContact CB-CB 4.05Å; N175-D339 PolarHBondContact ND2-OD2 3.04Å; N175-D339 PolarHBondContact O-N 3.09Å; V205-D339 HydrophobicContact CG2-CB 4.39Å; D339-V341 VanDerWaalsContact C-N 3.3Å; D339-V341 WeakPolarHBondContact OD1-CA 3.22Å; D339-V341 WeakPolarHBondContact OD1-CB 3.49Å; D339-V341 PolarHBondContact OD1-N 3.36Å; D339-S342 PolarHBondContact OD1-N 3.43Å; D339-R343 WeakPolarHBondContact O-CB 3.19Å; D339-R343 VanDerWaalsContact O-CD 3.31Å; D339-R343 WeakPolarHBondContact O-CD 3.44Å; D339-R343 WeakPolarHBondContact O-CG 3.27Å; D339-R343 PolarHBondContact O-NH1 2.58Å
340	P	89.4	Confident	79.9	Confident	97 Å²	97	38.6 Å²	38.6	63%	0.63	22%	0.22	S	C	*	.	S	Bend	trans	-75.6	-18.2	179	28.6	-33.6	0	0	0	113.2
341	V	92.7	Very high	78	Confident	125 Å²	125	38.2 Å²	38.2	76%	0.758	21%	0.212	S	C	*	.	S	Bend	trans	-103.3	-54	-176.5	-178.7	0	0	0	0	110.8	D339 R343	D339-V341 VanDerWaalsContact C-N 3.3Å; D339-V341 WeakPolarHBondContact OD1-CA 3.22Å; D339-V341 WeakPolarHBondContact OD1-CB 3.49Å; D339-V341 PolarHBondContact OD1-N 3.36Å; V341-R343 VanDerWaalsContact C-N 3.25Å; V341-R343 PolarHBondContact O-N 3.21Å; V341-R343 VanDerWaalsContact O-N 3.07Å
342	S	94.2	Very high	76.3	Confident	46 Å²	46	40.4 Å²	40.4	32%	0.322	23%	0.231	S	C	.	.	S	Bend	trans	-87.3	59.8	-177.5	-54.4	0	0	0	0	110.6	V205 I206 D339	V205-S342 CarbonylContact C-O 3.54Å; V205-S342 WeakPolarHBondContact CA-O 3.34Å; I206-S342 PolarHBondContact N-O 3.22Å; D339-S342 PolarHBondContact OD1-N 3.43Å
343	R	92.7	Very high	74.5	Confident	18 Å²	18	36.2 Å²	36.2	7%	0.068	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-135	150.4	177.6	68.8	-179.4	-51.4	106.7	3.3	112.2	I203 G204 N337 D339 V341 E347	I203-R343 PolarHBondContact O-NH1 3.26Å; I203-R343 PolarHBondContact O-NH2 3.18Å; G204-R343 CarbonylContact O-C 3.36Å; G204-R343 VanDerWaalsContact O-CA 3.25Å; G204-R343 WeakPolarHBondContact O-CA 3.37Å; N337-R343 PolarHBondContact O-NH1 2.87Å; D339-R343 WeakPolarHBondContact O-CB 3.19Å; D339-R343 VanDerWaalsContact O-CD 3.31Å; D339-R343 WeakPolarHBondContact O-CD 3.44Å; D339-R343 WeakPolarHBondContact O-CG 3.27Å; D339-R343 PolarHBondContact O-NH1 2.58Å; V341-R343 VanDerWaalsContact C-N 3.25Å; V341-R343 PolarHBondContact O-N 3.21Å; V341-R343 VanDerWaalsContact O-N 3.07Å; R343-E347 PolarHBondContact NH2-O 3.36Å
344	Y	88.5	Confident	72.5	Confident	8 Å²	8	40.2 Å²	40.2	3%	0.031	23%	0.228	C	C	.	.			trans	-72.9	123.7	164.6	-177	-107	0	0	0	108.9	G204 K233 I234 Y313 V316	G204-Y344 PolarHBondContact O-N 3Å; K233-Y344 HydrophobicContact CB-CD2 4.17Å; K233-Y344 HydrophobicContact CB-CE1 4.45Å; K233-Y344 HydrophobicContact CB-CE2 3.49Å; K233-Y344 VanDerWaalsContact CB-CE2 3.49Å; K233-Y344 HydrophobicContact CD-CD1 4.26Å; K233-Y344 HydrophobicContact CD-CE1 3.63Å; K233-Y344 HydrophobicContact CD-CE2 4.22Å; K233-Y344 HydrophobicContact CG-CE2 4.43Å; I234-Y344 HydrophobicContact CG2-CD2 3.73Å; I234-Y344 HydrophobicContact CG2-CE2 4.14Å; Y313-Y344 HydrophobicContact CD2-CD2 4.44Å; Y313-Y344 AromaticContact CD2-CE2 3.85Å; Y313-Y344 HydrophobicContact CD2-CE2 3.85Å; Y313-Y344 HydrophobicContact CE2-CD2 4.13Å; Y313-Y344 HydrophobicContact CE2-CE2 4Å; V316-Y344 HydrophobicContact CG1-CE1 4.34Å
345	P	71.6	Confident	70.8	Confident	5 Å²	5	44 Å²	44	3%	0.032	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	138.3	173.8	28	-33.9	0	0	0	109.7	Y313 V316 K317	Y313-P345 HydrophobicContact CD2-CG 4.39Å; Y313-P345 HydrophobicContact CE1-CG 4.25Å; Y313-P345 HydrophobicContact CE2-CG 3.81Å; V316-P345 WeakPolarHBondContact CG1-O 3.43Å; K317-P345 HydrophobicContact CB-CB 4.06Å; K317-P345 HydrophobicContact CB-CG 4Å; K317-P345 HydrophobicContact CD-CB 3.48Å; K317-P345 VanDerWaalsContact CD-CB 3.48Å; K317-P345 HydrophobicContact CD-CG 3.83Å; K317-P345 HydrophobicContact CG-CB 4.38Å
346	G	54.5	Low	69.3	Low	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.8	1.8	-178.6	0	0	0	0	0	114.9	Q58 S320 G392 I393	Q58-G346 PolarHBondContact NE2-O 3.02Å; S320-G346 VanDerWaalsContact CB-N 3.27Å; S320-G346 PolarHBondContact OG-N 2.94Å; G346-G392 WeakPolarHBondContact O-CA 3.17Å; G346-I393 PolarHBondContact O-N 3.4Å
347	E	59.8	Low	67.7	Low	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.2	157.3	-70	-172.7	-159	0	0	107.8	Q58 G204 R343 F391	Q58-E347 HydrophobicContact CG-CG 3.56Å; Q58-E347 WeakPolarHBondContact CG-OE1 3.31Å; Q58-E347 PolarHBondContact NE2-OE1 2.99Å; G204-E347 WeakPolarHBondContact CA-OE2 3.48Å; G204-E347 PolarHBondContact N-OE2 2.87Å; R343-E347 PolarHBondContact NH2-O 3.36Å; E347-F391 WeakPolarHBondContact CA-O 3.41Å
348	S	58.3	Low	66.4	Low	1 Å²	1	40.1 Å²	40.1	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136.7	170.1	56.9	0	0	0	0	109.6	L323 R390 F391	L323-S348 WeakPolarHBondContact CD2-OG 3.43Å; S348-R390 CarbonylContact O-C 3.38Å; S348-R390 WeakPolarHBondContact O-CA 3.17Å; S348-F391 PolarHBondContact N-O 3.3Å; S348-F391 WeakPolarHBondContact O-CD2 3.38Å; S348-F391 PolarHBondContact O-N 2.93Å
349	L	52.8	Low	64.8	Low	2 Å²	2	40.1 Å²	40.1	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	104.3	-177.4	-162.9	83	0	0	0	111.7	I203 N337 L375 S388 I389 R390	I203-L349 HydrophobicContact CG2-CD2 4.46Å; N337-L349 HydrophobicContact CB-CB 4.09Å; N337-L349 HydrophobicContact CB-CD2 4.03Å; N337-L349 WeakPolarHBondContact ND2-CD2 3.2Å; N337-L349 PolarHBondContact ND2-O 3.1Å; L349-L375 HydrophobicContact CD2-CD1 3.53Å; L349-L375 HydrophobicContact CD2-CD2 3.21Å; L349-L375 HydrophobicContact CD2-CG 3.9Å; L349-S388 VanDerWaalsContact CD2-CB 3.43Å; L349-I389 CarbonylContact C-O 3.53Å; L349-I389 VanDerWaalsContact C-O 3.25Å; L349-I389 WeakPolarHBondContact CA-O 3.49Å; L349-R390 HydrophobicContact CD1-CB 3.67Å
350	L	55.1	Low	63.1	Low	6 Å²	6	43.1 Å²	43.1	3%	0.031	25%	0.248	C	C	.	.			trans	-143	153.4	-172.8	-66.7	159.5	0	0	0	111.7	L323 I327 A334 I335 I389 F391	L323-L350 HydrophobicContact CD2-CD1 4.45Å; I327-L350 HydrophobicContact CB-CD1 4Å; I327-L350 HydrophobicContact CD1-CB 4.32Å; I327-L350 HydrophobicContact CD1-CD1 3.57Å; I327-L350 HydrophobicContact CG1-CD1 4.38Å; I327-L350 HydrophobicContact CG2-CB 4.39Å; I327-L350 HydrophobicContact CG2-CD1 3.86Å; I327-L350 HydrophobicContact CG2-CD2 4.17Å; I327-L350 HydrophobicContact CG2-CG 4.36Å; A334-L350 HydrophobicContact CB-CD2 3.99Å; I335-L350 WeakPolarHBondContact O-CD2 3.43Å; L350-I389 PolarHBondContact N-O 3.42Å; L350-I389 CarbonylContact O-C 3.58Å; L350-I389 WeakPolarHBondContact O-CA 3.24Å; L350-I389 WeakPolarHBondContact O-CB 3.27Å; L350-I389 WeakPolarHBondContact O-CG1 3.4Å; L350-I389 PolarHBondContact O-N 2.88Å; L350-I389 VanDerWaalsContact O-O 3.11Å; L350-F391 HydrophobicContact CB-CD2 4.28Å; L350-F391 HydrophobicContact CB-CE2 3.74Å; L350-F391 WeakPolarHBondContact O-CE2 3.32Å
351	M	52	Low	61.5	Low	60 Å²	60	38.6 Å²	38.6	30%	0.296	22%	0.219	S	C	.	.			trans	-53.9	155.1	-164.8	-63.9	175.5	69.4	0	0	121.1	S387 I389 V413	M351-S387 WeakPolarHBondContact CA-O 3.35Å; M351-S387 WeakPolarHBondContact CB-O 3.45Å; M351-S387 WeakPolarHBondContact CG-O 3.47Å; M351-I389 WeakPolarHBondContact O-CD1 3.44Å; M351-V413 HydrophobicContact CB-CG2 4.2Å; M351-V413 HydrophobicContact SD-CG1 4.46Å
352	A	49.2	Very low	59.6	Low	53 Å²	53	32.8 Å²	32.8	44%	0.438	18%	0.184	S	C	.	.			trans	-47.9	134.5	-165	0	0	0	0	0	120.1	I389	A352-I389 VanDerWaalsContact C-CD1 3.43Å; A352-I389 HydrophobicContact CB-CD1 4.5Å; A352-I389 HydrophobicContact CB-CG1 4.39Å; A352-I389 VanDerWaalsContact N-CG1 3.29Å
353	L	45.3	Very low	57.3	Low	24 Å²	24	32.9 Å²	32.9	13%	0.126	19%	0.188	C	C	.	.			trans	-143.5	141.6	176.8	-61.9	171.8	0	0	0	114	V356 L358 I389 F391 C409 E412	L353-V356 HydrophobicContact CD1-CG2 4.46Å; L353-L358 HydrophobicContact CB-CD1 3.99Å; L353-L358 HydrophobicContact CD1-CD1 4.07Å; L353-L358 HydrophobicContact CG-CD1 4.47Å; L353-I389 HydrophobicContact CB-CD1 4.25Å; L353-I389 HydrophobicContact CG-CD1 4.25Å; L353-I389 VanDerWaalsContact N-CD1 3.26Å; L353-F391 HydrophobicContact CD1-CE1 4.13Å; L353-F391 HydrophobicContact CD1-CZ 4.08Å; L353-C409 HydrophobicContact CD1-CB 3.66Å; L353-C409 VanDerWaalsContact CD2-CA 3.49Å; L353-C409 HydrophobicContact CD2-CB 4.38Å; L353-C409 HydrophobicContact CG-CB 4.48Å; L353-E412 HydrophobicContact CD2-CB 3.39Å; L353-E412 HydrophobicContact CD2-CG 3.83Å
354	K	40.9	Very low	55	Low	192 Å²	192	35.7 Å²	35.7	84%	0.835	21%	0.209	S	C	*	.	S	Bend	trans	-95	-24.9	-177.6	-73.9	-174.5	178.9	-178.3	0	116.6
355	E	45.8	Very low	53	Low	100 Å²	100	36.2 Å²	36.2	47%	0.467	21%	0.213	S	C	.	.	S	Bend	trans	-98.1	-3.1	-173	-75.2	179.7	-152	0	0	114.5	Y404 K408	E355-Y404 PolarHBondContact OE2-OH 3.19Å; E355-K408 WeakPolarHBondContact OE1-CE 3.1Å; E355-K408 IonicContact OE1-NZ 3.63Å; E355-K408 PolarHBondContact OE1-NZ 3.35Å; E355-K408 WeakPolarHBondContact OE2-CE 3.46Å; E355-K408 IonicContact OE2-NZ 2.79Å; E355-K408 PolarHBondContact OE2-NZ 3.28Å
356	V	53.1	Low	51.9	Low	7 Å²	7	40.2 Å²	40.2	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.8	178	-173.3	0	0	0	0	106.8	M55 L353 L358 T405	M55-V356 HydrophobicContact CB-CG1 3.82Å; M55-V356 HydrophobicContact CG-CG1 3.63Å; L353-V356 HydrophobicContact CD1-CG2 4.46Å; V356-L358 HydrophobicContact CB-CD1 3.83Å; V356-L358 HydrophobicContact CB-CG 3.91Å; V356-L358 HydrophobicContact CG1-CD1 3.99Å; V356-L358 HydrophobicContact CG1-CD2 3.85Å; V356-L358 HydrophobicContact CG1-CG 3.69Å; V356-L358 PolarHBondContact O-N 3.45Å; V356-T405 HydrophobicContact CG1-CG2 4.24Å; V356-T405 HydrophobicContact CG2-CG2 4.37Å
357	A	54.4	Low	51.1	Low	35 Å²	35	45 Å²	45	29%	0.289	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	102.6	176.5	0	0	0	0	0	108.6	L53 Y54 M55	L53-A357 WeakPolarHBondContact O-CB 3.44Å; L53-A357 PolarHBondContact O-N 3.04Å; Y54-A357 HydrophobicContact CD2-CB 4.24Å; M55-A357 CarbonylContact C-O 3.53Å; M55-A357 PolarHBondContact N-O 3.05Å; M55-A357 VanDerWaalsContact N-O 3.16Å
358	L	61.9	Low	50.7	Low	33 Å²	33	47.4 Å²	47.4	17%	0.173	30%	0.298	C	S	.	.			trans	-134	171	-176.9	-58.3	164.6	0	0	0	110	M55 L353 V356 I389 F391	M55-L358 HydrophobicContact CB-CD2 3.49Å; M55-L358 VanDerWaalsContact CB-CD2 3.49Å; L353-L358 HydrophobicContact CB-CD1 3.99Å; L353-L358 HydrophobicContact CD1-CD1 4.07Å; L353-L358 HydrophobicContact CG-CD1 4.47Å; V356-L358 HydrophobicContact CB-CD1 3.83Å; V356-L358 HydrophobicContact CB-CG 3.91Å; V356-L358 HydrophobicContact CG1-CD1 3.99Å; V356-L358 HydrophobicContact CG1-CD2 3.85Å; V356-L358 HydrophobicContact CG1-CG 3.69Å; V356-L358 PolarHBondContact O-N 3.45Å; L358-I389 HydrophobicContact CB-CG2 3.4Å; L358-I389 HydrophobicContact CD1-CD1 3.63Å; L358-I389 HydrophobicContact CD1-CG2 4.01Å; L358-I389 HydrophobicContact CG-CG2 4.2Å; L358-F391 HydrophobicContact CD1-CD1 4.09Å; L358-F391 HydrophobicContact CD1-CE1 3.47Å; L358-F391 VanDerWaalsContact CD1-CE1 3.47Å; L358-F391 HydrophobicContact CD1-CZ 3.83Å; L358-F391 HydrophobicContact CD2-CB 4.31Å; L358-F391 HydrophobicContact CD2-CD1 3.27Å; L358-F391 HydrophobicContact CD2-CE1 3.6Å; L358-F391 HydrophobicContact CD2-CG 3.88Å; L358-F391 HydrophobicContact CD2-CZ 4.41Å; L358-F391 HydrophobicContact CG-CD1 4.34Å; L358-F391 HydrophobicContact CG-CE1 4.21Å
359	S	56.2	Low	50.7	Low	10 Å²	10	55.4 Å²	55.4	7%	0.07	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-126.8	130.3	175.9	-160.5	0	0	0	0	111.6	G361 I389 R390	S359-G361 WeakPolarHBondContact CB-O 3.48Å; S359-G361 PolarHBondContact O-N 3.49Å; S359-G361 VanDerWaalsContact O-N 3.15Å; S359-G361 PolarHBondContact OG-O 3.11Å; S359-I389 WeakPolarHBondContact O-CG2 3.35Å; S359-R390 PolarHBondContact O-N 3.27Å
360	S	56.2	Low	51.4	Low	84 Å²	84	62 Å²	62	59%	0.587	37%	0.37	S	S	*	.	S	Bend	trans	-75.6	13	172.6	62.2	0	0	0	0	113.4	S388	S360-S388 WeakPolarHBondContact CA-O 2.98Å
361	G	55.8	Low	52.3	Low	1 Å²	1	62.5 Å²	62.5	1%	0.01	37%	0.374	C	S	.	.	S	Bend	trans	179.4	-155.8	-178.2	0	0	0	0	0	110.3	S359	S359-G361 WeakPolarHBondContact CB-O 3.48Å; S359-G361 PolarHBondContact O-N 3.49Å; S359-G361 VanDerWaalsContact O-N 3.15Å; S359-G361 PolarHBondContact OG-O 3.11Å
362	S	53.4	Low	53.8	Low	3 Å²	3	60 Å²	60	2%	0.021	36%	0.362	C	S	.	.			trans	-76.4	148.5	164.8	40.8	0	0	0	0	110.2	E202 C364 T365 S366	E202-S362 WeakPolarHBondContact OE1-CB 3.35Å; E202-S362 PolarHBondContact OE1-OG 3.15Å; S362-C364 PolarHBondContact O-N 2.68Å; S362-T365 PolarHBondContact N-OG1 3.38Å; S362-T365 PolarHBondContact O-N 2.91Å; S362-T365 PolarHBondContact O-OG1 3.49Å; S362-S366 PolarHBondContact O-N 2.9Å
363	A	46.9	Very low	55.8	Low	49 Å²	49	59.6 Å²	59.6	41%	0.405	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-20.9	173.4	0	0	0	0	0	113.2	S59 T365 S366	S59-A363 WeakPolarHBondContact OG-CB 3.47Å; A363-T365 VanDerWaalsContact C-N 3.31Å; A363-S366 PolarHBondContact O-OG 3.33Å
364	C	44	Very low	58.1	Low	77 Å²	77	58.5 Å²	58.5	52%	0.52	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8	175.4	-56.1	0	0	0	0	114.2	K151 S362	K151-C364 PolarHBondContact NZ-O 3.37Å; S362-C364 PolarHBondContact O-N 2.68Å
365	T	46.2	Very low	60.4	Low	18 Å²	18	49.4 Å²	49.4	11%	0.11	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-5	174.7	56.9	0	0	0	0	113.3	S362 A363 A367 S368 Y373	S362-T365 PolarHBondContact N-OG1 3.38Å; S362-T365 PolarHBondContact O-N 2.91Å; S362-T365 PolarHBondContact O-OG1 3.49Å; A363-T365 VanDerWaalsContact C-N 3.31Å; T365-A367 PolarHBondContact O-N 3.29Å; T365-S368 PolarHBondContact O-N 3.14Å; T365-Y373 HydrophobicContact CG2-CE1 4.36Å
366	S	47.4	Very low	62.5	Low	89 Å²	89	50.4 Å²	50.4	62%	0.622	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.6	-176.1	66.3	0	0	0	0	114.8	S362 A363	S362-S366 PolarHBondContact O-N 2.9Å; A363-S366 PolarHBondContact O-OG 3.33Å
367	A	38.3	Very low	64.4	Low	102 Å²	102	50.9 Å²	50.9	84%	0.843	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.1	174.7	0	0	0	0	0	113.9	T365	T365-A367 PolarHBondContact O-N 3.29Å
368	S	51.9	Low	66.2	Low	50 Å²	50	50 Å²	50	35%	0.35	30%	0.299	S	S	.	.			trans	-98.7	130.7	-179.7	179.7	0	0	0	0	109.8	T365 E370	T365-S368 PolarHBondContact O-N 3.14Å; S368-E370 PolarHBondContact O-N 3.47Å; S368-E370 WeakPolarHBondContact OG-CB 3.03Å; S368-E370 WeakPolarHBondContact OG-CG 3.36Å; S368-E370 PolarHBondContact OG-N 3.36Å; S368-E370 VanDerWaalsContact OG-N 3.1Å
369	L	58.3	Low	67.5	Low	168 Å²	168	51.2 Å²	51.2	88%	0.88	32%	0.32	S	S	*	.			trans	-70.6	-9.8	169.2	-98.2	119.1	0	0	0	112.5	H386	L369-H386 PolarHBondContact O-CE1 2.95Å; L369-H386 VanDerWaalsContact O-CE1 3.25Å
370	E	67.1	Low	68.6	Low	142 Å²	142	51.8 Å²	51.8	66%	0.664	33%	0.325	S	S	*	.	S	Bend	trans	-69.8	141.1	-178	-63.2	-178.7	163.2	0	0	111.9	S368	S368-E370 PolarHBondContact O-N 3.47Å; S368-E370 WeakPolarHBondContact OG-CB 3.03Å; S368-E370 WeakPolarHBondContact OG-CG 3.36Å; S368-E370 PolarHBondContact OG-N 3.36Å; S368-E370 VanDerWaalsContact OG-N 3.1Å
371	P	74	Confident	69.7	Low	16 Å²	16	51.2 Å²	51.2	10%	0.104	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.1	148	177.4	24	-29.5	0	0	0	110.7	Y373 R376 E382 A385	P371-Y373 PolarHBondContact O-N 2.68Å; P371-R376 PolarHBondContact O-NH2 2.88Å; P371-E382 HydrophobicContact CG-CG 4.19Å; P371-A385 HydrophobicContact CB-CB 3.73Å
372	S	84.2	Confident	70.5	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.049	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-49.7	124.8	-178.5	167.7	0	0	0	0	111.3	E202 V374 L375 R376	E202-S372 WeakPolarHBondContact OE2-CB 3.45Å; E202-S372 PolarHBondContact OE2-OG 2.9Å; S372-V374 PolarHBondContact O-N 2.96Å; S372-V374 PolarHBondContact OG-N 3.16Å; S372-V374 VanDerWaalsContact OG-N 3.16Å; S372-L375 PolarHBondContact O-N 2.82Å; S372-L375 PolarHBondContact OG-N 2.78Å; S372-R376 PolarHBondContact O-N 3.15Å
373	Y	90.7	Very high	71.3	Confident	45 Å²	45	62.2 Å²	62.2	18%	0.176	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-26.2	175.4	68.1	-83.4	0	0	0	111.6	Q147 E149 K151 L154 T365 P371 A377	Q147-Y373 WeakPolarHBondContact O-CD2 3.4Å; E149-Y373 WeakPolarHBondContact O-CE2 3.48Å; E149-Y373 PolarHBondContact O-OH 2.73Å; K151-Y373 HydrophobicContact CG-CE1 4.3Å; L154-Y373 HydrophobicContact CD1-CD2 4Å; L154-Y373 HydrophobicContact CD1-CE2 3.54Å; T365-Y373 HydrophobicContact CG2-CE1 4.36Å; P371-Y373 PolarHBondContact O-N 2.68Å; Y373-A377 VanDerWaalsContact O-CB 3.29Å; Y373-A377 WeakPolarHBondContact O-CB 3.27Å; Y373-A377 PolarHBondContact O-N 3.38Å
374	V	92.8	Very high	72.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.3	-45.1	175	179.1	0	0	0	0	110.2	T148 E202 I203 S372 R376 A377 I378	T148-V374 HydrophobicContact CG2-CG1 4.02Å; E202-V374 HydrophobicContact CB-CB 4.46Å; E202-V374 HydrophobicContact CB-CG1 4.39Å; E202-V374 HydrophobicContact CB-CG2 4.46Å; E202-V374 HydrophobicContact CG-CG2 4.15Å; I203-V374 HydrophobicContact CD1-CG1 4.2Å; I203-V374 HydrophobicContact CG1-CG1 4.26Å; I203-V374 HydrophobicContact CG2-CG1 4.24Å; S372-V374 PolarHBondContact O-N 2.96Å; S372-V374 PolarHBondContact OG-N 3.16Å; S372-V374 VanDerWaalsContact OG-N 3.16Å; V374-R376 VanDerWaalsContact C-N 3.35Å; V374-A377 PolarHBondContact O-N 3.05Å; V374-I378 PolarHBondContact O-N 2.81Å
375	L	89	Confident	73.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-39.1	178.8	-57.1	178.9	0	0	0	112	I203 N337 L349 S372 A377 I378 G379 A380 A385	I203-L375 HydrophobicContact CG2-CD2 3.9Å; N337-L375 HydrophobicContact CB-CD2 4.17Å; L349-L375 HydrophobicContact CD2-CD1 3.53Å; L349-L375 HydrophobicContact CD2-CD2 3.21Å; L349-L375 HydrophobicContact CD2-CG 3.9Å; S372-L375 PolarHBondContact O-N 2.82Å; S372-L375 PolarHBondContact OG-N 2.78Å; L375-A377 VanDerWaalsContact C-N 3.3Å; L375-A377 PolarHBondContact O-N 2.85Å; L375-I378 HydrophobicContact CD2-CD1 4.17Å; L375-I378 WeakPolarHBondContact O-CG1 3.37Å; L375-I378 PolarHBondContact O-N 3.15Å; L375-G379 PolarHBondContact O-N 3.2Å; L375-A380 HydrophobicContact CB-CB 4Å; L375-A380 VanDerWaalsContact O-CB 3.27Å; L375-A380 WeakPolarHBondContact O-CB 3.18Å; L375-A380 PolarHBondContact O-N 2.97Å; L375-A385 HydrophobicContact CB-CB 3.88Å; L375-A385 HydrophobicContact CD1-CB 4Å
376	R	90.3	Very high	75.1	Confident	121 Å²	121	64.2 Å²	64.2	46%	0.457	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-40	172.7	-157.7	-175.8	-38.8	-162.9	7.1	112	P371 S372 V374 I378 G379	P371-R376 PolarHBondContact O-NH2 2.88Å; S372-R376 PolarHBondContact O-N 3.15Å; V374-R376 VanDerWaalsContact C-N 3.35Å; R376-I378 VanDerWaalsContact C-N 3.31Å; R376-I378 PolarHBondContact O-N 2.9Å; R376-G379 PolarHBondContact O-N 2.99Å
377	A	92.8	Very high	76.4	Confident	18 Å²	18	61.5 Å²	61.5	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-26.2	179.8	0	0	0	0	0	113.8	Q147 T148 V172 Y373 V374 L375 G379	Q147-A377 HydrophobicContact CB-CB 4.03Å; T148-A377 HydrophobicContact CG2-CB 3.73Å; V172-A377 HydrophobicContact CG2-CB 4.43Å; Y373-A377 VanDerWaalsContact O-CB 3.29Å; Y373-A377 WeakPolarHBondContact O-CB 3.27Å; Y373-A377 PolarHBondContact O-N 3.38Å; V374-A377 PolarHBondContact O-N 3.05Å; L375-A377 VanDerWaalsContact C-N 3.3Å; L375-A377 PolarHBondContact O-N 2.85Å; A377-G379 VanDerWaalsContact C-N 3.3Å
378	I	92.8	Very high	78.4	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.077	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	3.1	171.5	65.9	170.5	0	0	0	113	V172 S174 I203 N337 V374 L375 R376	V172-I378 HydrophobicContact CG2-CG2 3.79Å; S174-I378 WeakPolarHBondContact CA-O 3.26Å; I203-I378 HydrophobicContact CD1-CG2 4.27Å; N337-I378 HydrophobicContact CB-CD1 4.2Å; V374-I378 PolarHBondContact O-N 2.81Å; L375-I378 HydrophobicContact CD2-CD1 4.17Å; L375-I378 WeakPolarHBondContact O-CG1 3.37Å; L375-I378 PolarHBondContact O-N 3.15Å; R376-I378 VanDerWaalsContact C-N 3.31Å; R376-I378 PolarHBondContact O-N 2.9Å
379	G	88.6	Confident	79.8	Confident	60 Å²	60	55.1 Å²	55.1	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	22.3	177.8	0	0	0	0	0	114.9	L375 R376 A377	L375-G379 PolarHBondContact O-N 3.2Å; R376-G379 PolarHBondContact O-N 2.99Å; A377-G379 VanDerWaalsContact C-N 3.3Å
380	A	80.9	Confident	81.3	Confident	21 Å²	21	47.2 Å²	47.2	17%	0.174	25%	0.253	C	S	.	.			trans	-66.5	133.6	170.6	0	0	0	0	0	110.2	L375	L375-A380 HydrophobicContact CB-CB 4Å; L375-A380 VanDerWaalsContact O-CB 3.27Å; L375-A380 WeakPolarHBondContact O-CB 3.18Å; L375-A380 PolarHBondContact O-N 2.97Å
381	D	77.3	Confident	82.4	Confident	73 Å²	73	40.5 Å²	40.5	39%	0.39	22%	0.221	S	C	.	.			trans	-55.9	145.8	171.1	-69.2	-33.6	0	0	0	109.7	D383 L384 A385 K433	D381-D383 VanDerWaalsContact C-N 3.25Å; D381-D383 PolarHBondContact O-N 3.25Å; D381-L384 HydrophobicContact CB-CB 4.47Å; D381-L384 HydrophobicContact CB-CD1 4.26Å; D381-L384 HydrophobicContact CB-CG 4.35Å; D381-L384 WeakPolarHBondContact O-CB 2.9Å; D381-L384 PolarHBondContact O-N 3.1Å; D381-A385 PolarHBondContact O-N 3Å; D381-K433 IonicContact OD1-NZ 3.65Å; D381-K433 PolarHBondContact OD1-NZ 3.36Å; D381-K433 WeakPolarHBondContact OD2-CE 3.2Å; D381-K433 IonicContact OD2-NZ 2.69Å; D381-K433 PolarHBondContact OD2-NZ 2.93Å
382	E	73.1	Confident	83.3	Confident	120 Å²	120	39.7 Å²	39.7	56%	0.561	22%	0.216	S	C	*	.	H	α-helix	trans	-54.4	-41.6	-176.3	-84.5	-172.8	149.6	0	0	112.4	P371 L384 A385 H386	P371-E382 HydrophobicContact CG-CG 4.19Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 3.05Å; E382-A385 WeakPolarHBondContact O-CB 3.42Å; E382-A385 PolarHBondContact O-N 2.64Å; E382-A385 VanDerWaalsContact O-N 3.15Å; E382-H386 PolarHBondContact O-CD2 2.63Å; E382-H386 PolarHBondContact O-N 3.1Å
383	D	70.2	Confident	83.9	Confident	114 Å²	114	39.5 Å²	39.5	61%	0.61	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-37.8	178.2	-61.7	-32.8	0	0	0	112.5	D381 H386 S387	D381-D383 VanDerWaalsContact C-N 3.25Å; D381-D383 PolarHBondContact O-N 3.25Å; D383-H386 PolarHBondContact O-N 3.12Å; D383-S387 WeakPolarHBondContact O-CB 3.44Å; D383-S387 PolarHBondContact O-N 2.68Å; D383-S387 VanDerWaalsContact O-N 3.14Å; D383-S387 PolarHBondContact O-OG 3.38Å
384	L	72.7	Confident	84.1	Confident	79 Å²	79	37.5 Å²	37.5	41%	0.414	21%	0.207	S	C	.	.	H	α-helix	trans	-70.6	-36.2	174.8	-70	177	0	0	0	111.4	D381 E382 H386 S387 S388	D381-L384 HydrophobicContact CB-CB 4.47Å; D381-L384 HydrophobicContact CB-CD1 4.26Å; D381-L384 HydrophobicContact CB-CG 4.35Å; D381-L384 WeakPolarHBondContact O-CB 2.9Å; D381-L384 PolarHBondContact O-N 3.1Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 3.05Å; L384-H386 VanDerWaalsContact C-N 3.33Å; L384-S387 WeakPolarHBondContact CA-OG 3.09Å; L384-S387 PolarHBondContact O-N 2.92Å; L384-S387 PolarHBondContact O-OG 3.4Å; L384-S388 PolarHBondContact O-N 2.66Å; L384-S388 PolarHBondContact O-OG 2.98Å
385	A	73.2	Confident	84.3	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-36.1	175.4	0	0	0	0	0	111.9	P371 L375 D381 E382	P371-A385 HydrophobicContact CB-CB 3.73Å; L375-A385 HydrophobicContact CB-CB 3.88Å; L375-A385 HydrophobicContact CD1-CB 4Å; D381-A385 PolarHBondContact O-N 3Å; E382-A385 WeakPolarHBondContact O-CB 3.42Å; E382-A385 PolarHBondContact O-N 2.64Å; E382-A385 VanDerWaalsContact O-N 3.15Å
386	H	71.7	Confident	84.6	Confident	103 Å²	103	43.1 Å²	43.1	48%	0.477	23%	0.231	S	C	.	.	H	α-helix	trans	-72.2	-26.8	174.5	-78.4	-64.9	0	0	0	113.9	L369 E382 D383 L384 S388	L369-H386 PolarHBondContact O-CE1 2.95Å; L369-H386 VanDerWaalsContact O-CE1 3.25Å; E382-H386 PolarHBondContact O-CD2 2.63Å; E382-H386 PolarHBondContact O-N 3.1Å; D383-H386 PolarHBondContact O-N 3.12Å; L384-H386 VanDerWaalsContact C-N 3.33Å; H386-S388 VanDerWaalsContact C-N 3.33Å
387	S	73.6	Confident	84.9	Confident	33 Å²	33	37.7 Å²	37.7	23%	0.231	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	22.4	-179.5	55.5	0	0	0	0	113.2	M351 D383 L384	M351-S387 WeakPolarHBondContact CA-O 3.35Å; M351-S387 WeakPolarHBondContact CB-O 3.45Å; M351-S387 WeakPolarHBondContact CG-O 3.47Å; D383-S387 WeakPolarHBondContact O-CB 3.44Å; D383-S387 PolarHBondContact O-N 2.68Å; D383-S387 VanDerWaalsContact O-N 3.14Å; D383-S387 PolarHBondContact O-OG 3.38Å; L384-S387 WeakPolarHBondContact CA-OG 3.09Å; L384-S387 PolarHBondContact O-N 2.92Å; L384-S387 PolarHBondContact O-OG 3.4Å
388	S	80.4	Confident	85.1	Confident	9 Å²	9	39.3 Å²	39.3	6%	0.063	22%	0.219	C	C	.	.			trans	-105.1	134.4	-177.4	-79.8	0	0	0	0	112.4	L349 S360 L384 H386	L349-S388 VanDerWaalsContact CD2-CB 3.43Å; S360-S388 WeakPolarHBondContact CA-O 2.98Å; L384-S388 PolarHBondContact O-N 2.66Å; L384-S388 PolarHBondContact O-OG 2.98Å; H386-S388 VanDerWaalsContact C-N 3.33Å
389	I	82.3	Confident	85.3	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.041	23%	0.226	C	C	.	.			trans	-127.6	134.7	170.7	-38.1	170.6	0	0	0	113.1	L349 L350 M351 A352 L353 L358 S359 F391	L349-I389 CarbonylContact C-O 3.53Å; L349-I389 VanDerWaalsContact C-O 3.25Å; L349-I389 WeakPolarHBondContact CA-O 3.49Å; L350-I389 PolarHBondContact N-O 3.42Å; L350-I389 CarbonylContact O-C 3.58Å; L350-I389 WeakPolarHBondContact O-CA 3.24Å; L350-I389 WeakPolarHBondContact O-CB 3.27Å; L350-I389 WeakPolarHBondContact O-CG1 3.4Å; L350-I389 PolarHBondContact O-N 2.88Å; L350-I389 VanDerWaalsContact O-O 3.11Å; M351-I389 WeakPolarHBondContact O-CD1 3.44Å; A352-I389 VanDerWaalsContact C-CD1 3.43Å; A352-I389 HydrophobicContact CB-CD1 4.5Å; A352-I389 HydrophobicContact CB-CG1 4.39Å; A352-I389 VanDerWaalsContact N-CG1 3.29Å; L353-I389 HydrophobicContact CB-CD1 4.25Å; L353-I389 HydrophobicContact CG-CD1 4.25Å; L353-I389 VanDerWaalsContact N-CD1 3.26Å; L358-I389 HydrophobicContact CB-CG2 3.4Å; L358-I389 HydrophobicContact CD1-CD1 3.63Å; L358-I389 HydrophobicContact CD1-CG2 4.01Å; L358-I389 HydrophobicContact CG-CG2 4.2Å; S359-I389 WeakPolarHBondContact O-CG2 3.35Å; I389-F391 HydrophobicContact CB-CE2 4.22Å; I389-F391 HydrophobicContact CD1-CE2 4.4Å; I389-F391 HydrophobicContact CD1-CZ 4.12Å; I389-F391 WeakPolarHBondContact O-CD2 3.33Å
390	R	88.7	Confident	85.7	Confident	3 Å²	3	43.4 Å²	43.4	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.2	171.1	-166.8	-173.1	64.4	-162.1	-6.3	111.8	D56 Q58 S59 N201 S348 L349 S359	D56-R390 IonicContact OD1-CZ 3.45Å; D56-R390 IonicContact OD1-NE 3.3Å; D56-R390 IonicContact OD1-NH2 3.85Å; D56-R390 PolarHBondContact OD1-NH2 3.16Å; Q58-R390 VanDerWaalsContact CB-CZ 3.43Å; S59-R390 PolarHBondContact OG-NH2 3.46Å; N201-R390 WeakPolarHBondContact O-CD 3.5Å; N201-R390 PolarHBondContact O-NH1 2.85Å; S348-R390 CarbonylContact O-C 3.38Å; S348-R390 WeakPolarHBondContact O-CA 3.17Å; L349-R390 HydrophobicContact CD1-CB 3.67Å; S359-R390 PolarHBondContact O-N 3.27Å
391	F	91.2	Very high	86.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.7	164.9	-60.7	-95.9	0	0	0	109.3	L323 I327 E347 S348 L350 L353 L358 I389 T405	L323-F391 HydrophobicContact CD1-CB 4.17Å; L323-F391 HydrophobicContact CD1-CD1 4.01Å; L323-F391 HydrophobicContact CD1-CG 4.2Å; L323-F391 HydrophobicContact CD2-CB 4.25Å; L323-F391 HydrophobicContact CD2-CD2 4.44Å; L323-F391 HydrophobicContact CD2-CG 4.19Å; I327-F391 HydrophobicContact CD1-CE2 4.23Å; I327-F391 HydrophobicContact CD1-CZ 4.22Å; E347-F391 WeakPolarHBondContact CA-O 3.41Å; S348-F391 PolarHBondContact N-O 3.3Å; S348-F391 WeakPolarHBondContact O-CD2 3.38Å; S348-F391 PolarHBondContact O-N 2.93Å; L350-F391 HydrophobicContact CB-CD2 4.28Å; L350-F391 HydrophobicContact CB-CE2 3.74Å; L350-F391 WeakPolarHBondContact O-CE2 3.32Å; L353-F391 HydrophobicContact CD1-CE1 4.13Å; L353-F391 HydrophobicContact CD1-CZ 4.08Å; L358-F391 HydrophobicContact CD1-CD1 4.09Å; L358-F391 HydrophobicContact CD1-CE1 3.47Å; L358-F391 VanDerWaalsContact CD1-CE1 3.47Å; L358-F391 HydrophobicContact CD1-CZ 3.83Å; L358-F391 HydrophobicContact CD2-CB 4.31Å; L358-F391 HydrophobicContact CD2-CD1 3.27Å; L358-F391 HydrophobicContact CD2-CE1 3.6Å; L358-F391 HydrophobicContact CD2-CG 3.88Å; L358-F391 HydrophobicContact CD2-CZ 4.41Å; L358-F391 HydrophobicContact CG-CD1 4.34Å; L358-F391 HydrophobicContact CG-CE1 4.21Å; I389-F391 HydrophobicContact CB-CE2 4.22Å; I389-F391 HydrophobicContact CD1-CE2 4.4Å; I389-F391 HydrophobicContact CD1-CZ 4.12Å; I389-F391 WeakPolarHBondContact O-CD2 3.33Å; F391-T405 HydrophobicContact CD1-CG2 3.73Å; F391-T405 HydrophobicContact CE1-CG2 3.45Å; F391-T405 VanDerWaalsContact CE1-CG2 3.45Å
392	G	93.6	Very high	87.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114	-179	0	0	0	0	0	112.4	M55 G346	M55-G392 CarbonylContact C-O 3.57Å; M55-G392 VanDerWaalsContact CA-O 3.23Å; M55-G392 WeakPolarHBondContact CA-O 3.35Å; M55-G392 WeakPolarHBondContact O-CA 3.28Å; M55-G392 PolarHBondContact O-N 2.88Å; G346-G392 WeakPolarHBondContact O-CA 3.17Å
393	I	95.5	Very high	88.3	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.015	20%	0.201	C	C	.	.			trans	-105.5	133.8	179.1	-59.5	175	0	0	0	109.4	M55 V57 V316 L319 L323 G346 T397 V402	M55-I393 HydrophobicContact CE-CD1 4.45Å; M55-I393 HydrophobicContact CE-CG1 3.83Å; V57-I393 WeakPolarHBondContact CG2-O 3.01Å; V316-I393 HydrophobicContact CB-CG2 4.45Å; V316-I393 HydrophobicContact CG1-CB 4.2Å; V316-I393 HydrophobicContact CG1-CG2 4.01Å; V316-I393 HydrophobicContact CG2-CG2 4.32Å; L319-I393 HydrophobicContact CB-CD1 4.1Å; L319-I393 HydrophobicContact CB-CG2 3.79Å; L319-I393 HydrophobicContact CD1-CG2 3.87Å; L323-I393 HydrophobicContact CB-CD1 4.26Å; L323-I393 HydrophobicContact CD1-CD1 4.24Å; G346-I393 PolarHBondContact O-N 3.4Å; I393-T397 HydrophobicContact CG2-CG2 4.02Å; I393-V402 HydrophobicContact CD1-CG2 4.37Å
394	G	96	Very high	89.4	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.021	19%	0.192	C	C	.	.			trans	-132.6	-169.6	178.8	0	0	0	0	0	113.6	Y254 F396 T397	Y254-G394 WeakPolarHBondContact OH-CA 3.48Å; G394-F396 PolarHBondContact O-N 2.91Å; G394-T397 PolarHBondContact N-OG1 2.82Å; G394-T397 WeakPolarHBondContact O-CB 3.01Å; G394-T397 PolarHBondContact O-N 2.71Å; G394-T397 VanDerWaalsContact O-N 3.15Å; G394-T397 PolarHBondContact O-OG1 2.93Å
395	R	96.5	Very high	90.4	Very high	25 Å²	25	34.7 Å²	34.7	9%	0.094	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.2	-176.7	179.1	178.7	-63.2	159.6	-0.2	113	D64 Y254 I304 E308 D312	D64-R395 IonicContact OD2-CZ 3.36Å; D64-R395 IonicContact OD2-NH1 3.65Å; D64-R395 PolarHBondContact OD2-NH1 2.6Å; Y254-R395 HydrophobicContact CE1-CB 3.92Å; Y254-R395 HydrophobicContact CE2-CB 4.03Å; Y254-R395 WeakPolarHBondContact OH-CB 3.5Å; Y254-R395 PolarHBondContact OH-N 3.49Å; I304-R395 VanDerWaalsContact CG2-NH1 3.3Å; E308-R395 IonicContact OE2-CZ 3.59Å; E308-R395 IonicContact OE2-NE 3.41Å; E308-R395 IonicContact OE2-NH1 3.55Å; E308-R395 IonicContact OE2-NH2 2.64Å; D312-R395 WeakPolarHBondContact OD1-CG 3.14Å; D312-R395 IonicContact OD1-NE 3.89Å; D312-R395 PolarHBondContact OD1-NE 2.82Å; D312-R395 IonicContact OD2-CZ 2.75Å; D312-R395 IonicContact OD2-NE 3.63Å; D312-R395 PolarHBondContact OD2-NE 2.73Å; D312-R395 IonicContact OD2-NH2 3.74Å; D312-R395 PolarHBondContact OD2-NH2 3.45Å
396	F	96	Very high	91.3	Very high	95 Å²	95	35.3 Å²	35.3	42%	0.417	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.7	-175.3	-54.2	-62.2	0	0	0	113.6	P62 Y254 G394	P62-F396 HydrophobicContact CG-CD2 3.6Å; P62-F396 HydrophobicContact CG-CE2 3.95Å; Y254-F396 HydrophobicContact CD1-CD2 4.32Å; Y254-F396 AromaticContact CD1-CE2 3.83Å; Y254-F396 HydrophobicContact CD1-CE2 3.83Å; Y254-F396 HydrophobicContact CE1-CD2 4.28Å; Y254-F396 HydrophobicContact CE1-CE2 4.2Å; G394-F396 PolarHBondContact O-N 2.91Å
397	T	96.3	Very high	92.3	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.043	18%	0.18	C	C	.	.			trans	-69.1	139	176.8	-53.4	0	0	0	0	109.6	M55 H315 L319 I393 G394 E401 V402	M55-T397 HydrophobicContact CE-CG2 4.43Å; M55-T397 HydrophobicContact SD-CG2 3.71Å; H315-T397 PolarHBondContact CE1-O 3.46Å; H315-T397 PolarHBondContact NE2-O 3.26Å; L319-T397 HydrophobicContact CD1-CG2 4.09Å; L319-T397 VanDerWaalsContact CD1-O 3.27Å; L319-T397 WeakPolarHBondContact CD1-O 3.12Å; I393-T397 HydrophobicContact CG2-CG2 4.02Å; G394-T397 PolarHBondContact N-OG1 2.82Å; G394-T397 WeakPolarHBondContact O-CB 3.01Å; G394-T397 PolarHBondContact O-N 2.71Å; G394-T397 VanDerWaalsContact O-N 3.15Å; G394-T397 PolarHBondContact O-OG1 2.93Å; T397-E401 VanDerWaalsContact CA-OE2 3.22Å; T397-E401 WeakPolarHBondContact CA-OE2 3.35Å; T397-E401 HydrophobicContact CG2-CB 4.45Å; T397-V402 HydrophobicContact CG2-CG2 4.11Å
398	T	96.9	Very high	93.1	Very high	52 Å²	52	34.5 Å²	34.5	32%	0.319	18%	0.177	S	C	.	.			trans	-109.1	164.8	179.2	88.3	0	0	0	0	113.1	E400 E401 V402	T398-E400 VanDerWaalsContact C-N 3.29Å; T398-E400 WeakPolarHBondContact CB-OE2 3.49Å; T398-E400 PolarHBondContact O-N 3.14Å; T398-E400 PolarHBondContact OG1-N 3.1Å; T398-E400 PolarHBondContact OG1-OE2 3.44Å; T398-E401 PolarHBondContact N-OE2 3.29Å; T398-E401 PolarHBondContact O-N 3.42Å; T398-E401 PolarHBondContact OG1-N 3.34Å; T398-V402 PolarHBondContact O-N 3.45Å; T398-V402 VanDerWaalsContact O-N 3.14Å
399	A	97.3	Very high	93.5	Very high	27 Å²	27	34.1 Å²	34.1	22%	0.223	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-36.1	176.5	0	0	0	0	0	111.9	L319 V402 D403	L319-A399 HydrophobicContact CD2-CB 4.01Å; A399-V402 PolarHBondContact O-N 3.12Å; A399-D403 VanDerWaalsContact O-CG 3.31Å; A399-D403 PolarHBondContact O-N 3.46Å
400	E	96.7	Very high	93.8	Very high	134 Å²	134	34.9 Å²	34.9	63%	0.626	18%	0.181	S	C	*	.	H	α-helix	trans	-65.5	-39.6	177.2	-57.8	75.7	-167.2	0	0	111.3	T398 V402 D403 Y404	T398-E400 VanDerWaalsContact C-N 3.29Å; T398-E400 WeakPolarHBondContact CB-OE2 3.49Å; T398-E400 PolarHBondContact O-N 3.14Å; T398-E400 PolarHBondContact OG1-N 3.1Å; T398-E400 PolarHBondContact OG1-OE2 3.44Å; E400-V402 VanDerWaalsContact C-N 3.33Å; E400-D403 PolarHBondContact O-N 2.79Å; E400-Y404 WeakPolarHBondContact O-CB 3.4Å; E400-Y404 PolarHBondContact O-N 3.11Å
401	E	94.9	Very high	93.9	Very high	47 Å²	47	41.7 Å²	41.7	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.3	-68	-177.6	132.9	0	0	111.5	L53 T397 T398 T405	L53-E401 HydrophobicContact CD1-CB 3.97Å; L53-E401 HydrophobicContact CD1-CG 4.13Å; L53-E401 HydrophobicContact CD2-CG 3.93Å; T397-E401 VanDerWaalsContact CA-OE2 3.22Å; T397-E401 WeakPolarHBondContact CA-OE2 3.35Å; T397-E401 HydrophobicContact CG2-CB 4.45Å; T398-E401 PolarHBondContact N-OE2 3.29Å; T398-E401 PolarHBondContact O-N 3.42Å; T398-E401 PolarHBondContact OG1-N 3.34Å; E401-T405 VanDerWaalsContact O-CB 3.28Å; E401-T405 WeakPolarHBondContact O-CB 3.38Å; E401-T405 PolarHBondContact O-N 2.71Å; E401-T405 PolarHBondContact O-OG1 3.17Å
402	V	95.3	Very high	93.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-48	175	169.8	0	0	0	0	111	M55 L319 R322 L323 I393 T397 T398 A399 E400 Y404 T405 V406	M55-V402 HydrophobicContact CE-CG2 4.35Å; L319-V402 HydrophobicContact CB-CG2 4.11Å; L319-V402 HydrophobicContact CD1-CG2 4.47Å; L319-V402 HydrophobicContact CD2-CG2 4.13Å; L319-V402 HydrophobicContact CG-CG2 4.48Å; R322-V402 HydrophobicContact CB-CG1 4.16Å; R322-V402 HydrophobicContact CG-CG1 3.97Å; L323-V402 HydrophobicContact CB-CG1 3.77Å; L323-V402 HydrophobicContact CD1-CG1 4.45Å; I393-V402 HydrophobicContact CD1-CG2 4.37Å; T397-V402 HydrophobicContact CG2-CG2 4.11Å; T398-V402 PolarHBondContact O-N 3.45Å; T398-V402 VanDerWaalsContact O-N 3.14Å; A399-V402 PolarHBondContact O-N 3.12Å; E400-V402 VanDerWaalsContact C-N 3.33Å; V402-Y404 PolarHBondContact O-N 3.3Å; V402-T405 WeakPolarHBondContact O-CB 3.26Å; V402-T405 PolarHBondContact O-N 2.93Å; V402-T405 VanDerWaalsContact O-N 3.16Å; V402-V406 HydrophobicContact CG1-CG2 4.36Å; V402-V406 WeakPolarHBondContact O-CG2 3.48Å; V402-V406 PolarHBondContact O-N 3.35Å
403	D	95.7	Very high	93.2	Very high	67 Å²	67	43.3 Å²	43.3	36%	0.358	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-44.4	178.9	-72.3	-23.9	0	0	0	112.3	R322 A399 E400 T405 V406 S407	R322-D403 IonicContact CZ-OD1 3.67Å; R322-D403 IonicContact CZ-OD2 2.73Å; R322-D403 IonicContact NE-OD1 3.94Å; R322-D403 PolarHBondContact NE-OD1 3.22Å; R322-D403 IonicContact NE-OD2 3.82Å; R322-D403 IonicContact NH2-OD1 4Å; R322-D403 PolarHBondContact NH2-OD1 2.85Å; R322-D403 IonicContact NH2-OD2 3.62Å; R322-D403 PolarHBondContact NH2-OD2 3.43Å; A399-D403 VanDerWaalsContact O-CG 3.31Å; A399-D403 PolarHBondContact O-N 3.46Å; E400-D403 PolarHBondContact O-N 2.79Å; D403-T405 VanDerWaalsContact C-N 3.3Å; D403-T405 PolarHBondContact O-N 3.22Å; D403-V406 PolarHBondContact O-N 3.35Å; D403-S407 WeakPolarHBondContact O-CB 3.34Å; D403-S407 PolarHBondContact O-N 2.8Å
404	Y	93.9	Very high	92.8	Very high	110 Å²	110	45.4 Å²	45.4	43%	0.431	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-45.3	174.9	-179.1	-91.5	0	0	0	110.6	L53 E355 E400 V402 S407 K408	L53-Y404 HydrophobicContact CD1-CD1 3.47Å; L53-Y404 VanDerWaalsContact CD1-CD1 3.47Å; L53-Y404 HydrophobicContact CD1-CE1 4.25Å; L53-Y404 HydrophobicContact CD1-CG 4.1Å; L53-Y404 HydrophobicContact CG-CD1 4.4Å; E355-Y404 PolarHBondContact OE2-OH 3.19Å; E400-Y404 WeakPolarHBondContact O-CB 3.4Å; E400-Y404 PolarHBondContact O-N 3.11Å; V402-Y404 PolarHBondContact O-N 3.3Å; Y404-S407 PolarHBondContact O-N 2.86Å; Y404-K408 HydrophobicContact CE1-CB 4.4Å; Y404-K408 VanDerWaalsContact O-CB 3.24Å; Y404-K408 WeakPolarHBondContact O-CB 3.24Å; Y404-K408 PolarHBondContact O-N 3.49Å
405	T	92	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-45	178.5	-61.1	0	0	0	0	111.5	M55 L323 V356 F391 E401 V402 D403 K408 C409	M55-T405 HydrophobicContact CE-CG2 4.4Å; L323-T405 HydrophobicContact CD1-CG2 4.31Å; V356-T405 HydrophobicContact CG1-CG2 4.24Å; V356-T405 HydrophobicContact CG2-CG2 4.37Å; F391-T405 HydrophobicContact CD1-CG2 3.73Å; F391-T405 HydrophobicContact CE1-CG2 3.45Å; F391-T405 VanDerWaalsContact CE1-CG2 3.45Å; E401-T405 VanDerWaalsContact O-CB 3.28Å; E401-T405 WeakPolarHBondContact O-CB 3.38Å; E401-T405 PolarHBondContact O-N 2.71Å; E401-T405 PolarHBondContact O-OG1 3.17Å; V402-T405 WeakPolarHBondContact O-CB 3.26Å; V402-T405 PolarHBondContact O-N 2.93Å; V402-T405 VanDerWaalsContact O-N 3.16Å; D403-T405 VanDerWaalsContact C-N 3.3Å; D403-T405 PolarHBondContact O-N 3.22Å; T405-K408 PolarHBondContact O-N 2.87Å; T405-C409 WeakPolarHBondContact O-CB 3.3Å; T405-C409 PolarHBondContact O-N 2.67Å
406	V	92.8	Very high	91.7	Very high	16 Å²	16	52.1 Å²	52.1	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-50.8	176.8	169.9	0	0	0	0	111	L323 G326 I327 V402 D403 K408 C409 A410	L323-V406 HydrophobicContact CG-CG2 4.47Å; G326-V406 VanDerWaalsContact C-CG1 3.48Å; I327-V406 HydrophobicContact CG1-CG2 4.29Å; V402-V406 HydrophobicContact CG1-CG2 4.36Å; V402-V406 WeakPolarHBondContact O-CG2 3.48Å; V402-V406 PolarHBondContact O-N 3.35Å; D403-V406 PolarHBondContact O-N 3.35Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 3.42Å; V406-C409 WeakPolarHBondContact O-CB 3.38Å; V406-C409 PolarHBondContact O-N 2.92Å; V406-A410 PolarHBondContact O-N 2.69Å
407	S	92.9	Very high	91	Very high	81 Å²	81	49.2 Å²	49.2	57%	0.566	25%	0.253	S	S	*	.	H	α-helix	trans	-60.2	-44.9	-179.9	177.4	0	0	0	0	111.5	D403 Y404 C409 A410 K411	D403-S407 WeakPolarHBondContact O-CB 3.34Å; D403-S407 PolarHBondContact O-N 2.8Å; Y404-S407 PolarHBondContact O-N 2.86Å; S407-C409 VanDerWaalsContact C-N 3.35Å; S407-A410 PolarHBondContact O-N 3.43Å; S407-K411 WeakPolarHBondContact O-CB 3.34Å; S407-K411 PolarHBondContact O-N 3.05Å
408	K	89.8	Confident	90.5	Very high	39 Å²	39	56.7 Å²	56.7	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-39.9	177	-166.1	73.8	-168.8	-161.3	0	111.6	E355 Y404 T405 V406 K411 E412	E355-K408 WeakPolarHBondContact OE1-CE 3.1Å; E355-K408 IonicContact OE1-NZ 3.63Å; E355-K408 PolarHBondContact OE1-NZ 3.35Å; E355-K408 WeakPolarHBondContact OE2-CE 3.46Å; E355-K408 IonicContact OE2-NZ 2.79Å; E355-K408 PolarHBondContact OE2-NZ 3.28Å; Y404-K408 HydrophobicContact CE1-CB 4.4Å; Y404-K408 VanDerWaalsContact O-CB 3.24Å; Y404-K408 WeakPolarHBondContact O-CB 3.24Å; Y404-K408 PolarHBondContact O-N 3.49Å; T405-K408 PolarHBondContact O-N 2.87Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 3.42Å; K408-K411 PolarHBondContact O-N 2.69Å; K408-E412 WeakPolarHBondContact O-CB 3.38Å; K408-E412 PolarHBondContact O-N 2.94Å
409	C	88.7	Confident	89.7	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-55.6	-57.3	174.9	-167.5	0	0	0	0	111.2	I327 L353 T405 V406 S407 K411 E412 V413	I327-C409 HydrophobicContact CD1-CB 4.5Å; I327-C409 HydrophobicContact CG1-CB 4.35Å; L353-C409 HydrophobicContact CD1-CB 3.66Å; L353-C409 VanDerWaalsContact CD2-CA 3.49Å; L353-C409 HydrophobicContact CD2-CB 4.38Å; L353-C409 HydrophobicContact CG-CB 4.48Å; T405-C409 WeakPolarHBondContact O-CB 3.3Å; T405-C409 PolarHBondContact O-N 2.67Å; V406-C409 WeakPolarHBondContact O-CB 3.38Å; V406-C409 PolarHBondContact O-N 2.92Å; S407-C409 VanDerWaalsContact C-N 3.35Å; C409-K411 VanDerWaalsContact C-N 3.33Å; C409-K411 PolarHBondContact O-N 3.19Å; C409-E412 PolarHBondContact O-N 3.23Å; C409-V413 WeakPolarHBondContact O-CB 3.49Å; C409-V413 VanDerWaalsContact O-CG2 3.3Å; C409-V413 WeakPolarHBondContact O-CG2 3.23Å; C409-V413 PolarHBondContact O-N 2.66Å
410	A	89.5	Confident	88.8	Confident	23 Å²	23	61.3 Å²	61.3	19%	0.19	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-45.9	-179.1	0	0	0	0	0	112	V331 V406 S407 E412 A414	V331-A410 HydrophobicContact CG2-CB 4.17Å; V406-A410 PolarHBondContact O-N 2.69Å; S407-A410 PolarHBondContact O-N 3.43Å; A410-E412 PolarHBondContact O-N 2.97Å; A410-A414 WeakPolarHBondContact O-CB 3.32Å; A410-A414 PolarHBondContact O-N 3.11Å
411	K	89.6	Confident	87.9	Confident	147 Å²	147	59.1 Å²	59.1	64%	0.639	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-45.7	179.8	-175.5	176	-179.6	176	0	112.5	S407 K408 C409 R415	S407-K411 WeakPolarHBondContact O-CB 3.34Å; S407-K411 PolarHBondContact O-N 3.05Å; K408-K411 PolarHBondContact O-N 2.69Å; C409-K411 VanDerWaalsContact C-N 3.33Å; C409-K411 PolarHBondContact O-N 3.19Å; K411-R415 WeakPolarHBondContact O-CB 3.36Å; K411-R415 PolarHBondContact O-N 3.17Å
412	E	86.7	Confident	87	Confident	30 Å²	30	60 Å²	60	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-75.1	-35.5	-176.6	-171.2	63.1	-173.8	0	0	111.9	L353 K408 C409 A410 R415 L416	L353-E412 HydrophobicContact CD2-CB 3.39Å; L353-E412 HydrophobicContact CD2-CG 3.83Å; K408-E412 WeakPolarHBondContact O-CB 3.38Å; K408-E412 PolarHBondContact O-N 2.94Å; C409-E412 PolarHBondContact O-N 3.23Å; A410-E412 PolarHBondContact O-N 2.97Å; E412-R415 PolarHBondContact O-N 3.46Å; E412-R415 IonicContact OE1-CZ 3.91Å; E412-R415 IonicContact OE1-NE 2.97Å; E412-R415 PolarHBondContact OE1-NE 3.49Å; E412-R415 IonicContact OE1-NH2 3.97Å; E412-R415 PolarHBondContact OE1-NH2 3.27Å; E412-R415 IonicContact OE2-CZ 3.73Å; E412-R415 IonicContact OE2-NE 3.78Å; E412-R415 PolarHBondContact OE2-NE 2.99Å; E412-R415 IonicContact OE2-NH2 3.44Å; E412-L416 HydrophobicContact CG-CD1 4.24Å; E412-L416 WeakPolarHBondContact O-CB 3.46Å; E412-L416 VanDerWaalsContact O-CG 3.28Å; E412-L416 WeakPolarHBondContact O-CG 3.37Å; E412-L416 PolarHBondContact O-N 2.94Å
413	V	84.6	Confident	86.2	Confident	4 Å²	4	62 Å²	62	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-44.1	173	174.3	0	0	0	0	110.8	V331 M351 C409 R415 L416 R417	V331-V413 HydrophobicContact CG1-CB 4.29Å; V331-V413 HydrophobicContact CG1-CG1 3.68Å; V331-V413 HydrophobicContact CG1-CG2 4.43Å; V331-V413 HydrophobicContact CG2-CB 4.41Å; M351-V413 HydrophobicContact CB-CG2 4.2Å; M351-V413 HydrophobicContact SD-CG1 4.46Å; C409-V413 WeakPolarHBondContact O-CB 3.49Å; C409-V413 VanDerWaalsContact O-CG2 3.3Å; C409-V413 WeakPolarHBondContact O-CG2 3.23Å; C409-V413 PolarHBondContact O-N 2.66Å; V413-R415 PolarHBondContact O-N 3.49Å; V413-L416 PolarHBondContact O-N 3.03Å; V413-R417 HydrophobicContact CG1-CG 4.38Å; V413-R417 WeakPolarHBondContact O-CB 3.38Å; V413-R417 WeakPolarHBondContact O-CG 3.44Å; V413-R417 PolarHBondContact O-N 3.29Å
414	A	86.9	Confident	85.4	Confident	47 Å²	47	64.5 Å²	64.5	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-58.3	-47.9	174.4	0	0	0	0	0	111.4	A410 L416 R417 E418	A410-A414 WeakPolarHBondContact O-CB 3.32Å; A410-A414 PolarHBondContact O-N 3.11Å; A414-L416 VanDerWaalsContact C-N 3.34Å; A414-L416 PolarHBondContact O-N 3.19Å; A414-R417 PolarHBondContact O-N 2.86Å; A414-E418 WeakPolarHBondContact O-CG 3.46Å; A414-E418 PolarHBondContact O-N 3.27Å
415	R	86.3	Confident	84.7	Confident	97 Å²	97	61.7 Å²	61.7	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-40.9	177.2	-165.6	-165.7	70.1	67.8	2.7	112.7	K411 E412 V413 M419	K411-R415 WeakPolarHBondContact O-CB 3.36Å; K411-R415 PolarHBondContact O-N 3.17Å; E412-R415 PolarHBondContact O-N 3.46Å; E412-R415 IonicContact OE1-CZ 3.91Å; E412-R415 IonicContact OE1-NE 2.97Å; E412-R415 PolarHBondContact OE1-NE 3.49Å; E412-R415 IonicContact OE1-NH2 3.97Å; E412-R415 PolarHBondContact OE1-NH2 3.27Å; E412-R415 IonicContact OE2-CZ 3.73Å; E412-R415 IonicContact OE2-NE 3.78Å; E412-R415 PolarHBondContact OE2-NE 2.99Å; E412-R415 IonicContact OE2-NH2 3.44Å; V413-R415 PolarHBondContact O-N 3.49Å; R415-M419 PolarHBondContact NH1-SD 3.08Å; R415-M419 WeakPolarHBondContact O-CG 3.4Å
416	L	82.4	Confident	84	Confident	70 Å²	70	65.6 Å²	65.6	37%	0.366	34%	0.335	S	S	.	.	H	α-helix	trans	-70.2	-36.1	178	-73.3	171.2	0	0	0	111.9	E412 V413 A414 M419 S420	E412-L416 HydrophobicContact CG-CD1 4.24Å; E412-L416 WeakPolarHBondContact O-CB 3.46Å; E412-L416 VanDerWaalsContact O-CG 3.28Å; E412-L416 WeakPolarHBondContact O-CG 3.37Å; E412-L416 PolarHBondContact O-N 2.94Å; V413-L416 PolarHBondContact O-N 3.03Å; A414-L416 VanDerWaalsContact C-N 3.34Å; A414-L416 PolarHBondContact O-N 3.19Å; L416-M419 PolarHBondContact O-N 2.91Å; L416-S420 WeakPolarHBondContact O-CB 3.42Å; L416-S420 PolarHBondContact O-N 3.38Å
417	R	82.4	Confident	83.5	Confident	34 Å²	34	71.3 Å²	71.3	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-67.3	-40.3	176.3	-80.3	177.4	174.8	172.1	5	112.8	E332 V413 A414 M419 S420 W423	E332-R417 PolarHBondContact O-NH1 3.19Å; E332-R417 PolarHBondContact O-NH2 2.67Å; V413-R417 HydrophobicContact CG1-CG 4.38Å; V413-R417 WeakPolarHBondContact O-CB 3.38Å; V413-R417 WeakPolarHBondContact O-CG 3.44Å; V413-R417 PolarHBondContact O-N 3.29Å; A414-R417 PolarHBondContact O-N 2.86Å; R417-M419 PolarHBondContact O-N 3.48Å; R417-M419 VanDerWaalsContact O-N 3.15Å; R417-S420 PolarHBondContact O-N 3.34Å; R417-W423 HydrophobicContact CB-CB 4.29Å; R417-W423 HydrophobicContact CB-CD2 4.08Å; R417-W423 HydrophobicContact CB-CG 3.72Å; R417-W423 HydrophobicContact CG-CB 4.32Å; R417-W423 HydrophobicContact CG-CD2 3.73Å; R417-W423 HydrophobicContact CG-CE3 4.12Å; R417-W423 HydrophobicContact CG-CG 3.8Å
418	E	85.2	Confident	83.2	Confident	165 Å²	165	74.1 Å²	74.1	77%	0.771	37%	0.365	S	S	*	.	H	α-helix	trans	-58.7	-25.2	173.6	-74.7	173.2	-173.9	0	0	113.1	A414	A414-E418 WeakPolarHBondContact O-CG 3.46Å; A414-E418 PolarHBondContact O-N 3.27Å
419	M	81	Confident	82.8	Confident	138 Å²	138	75.5 Å²	75.5	68%	0.68	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.2	179.1	-62	-179.7	65.7	0	0	113.5	R415 L416 R417 P421	R415-M419 PolarHBondContact NH1-SD 3.08Å; R415-M419 WeakPolarHBondContact O-CG 3.4Å; L416-M419 PolarHBondContact O-N 2.91Å; R417-M419 PolarHBondContact O-N 3.48Å; R417-M419 VanDerWaalsContact O-N 3.15Å; M419-P421 WeakPolarHBondContact O-CD 3.28Å
420	S	77	Confident	82.2	Confident	38 Å²	38	78 Å²	78	27%	0.266	41%	0.405	S	S	.	.			trans	-102.4	116	-169.7	-175.1	0	0	0	0	112.1	L416 R417 L422 W423 E424	L416-S420 WeakPolarHBondContact O-CB 3.42Å; L416-S420 PolarHBondContact O-N 3.38Å; R417-S420 PolarHBondContact O-N 3.34Å; S420-L422 PolarHBondContact O-N 2.98Å; S420-W423 WeakPolarHBondContact O-CB 3.49Å; S420-W423 PolarHBondContact O-N 3.05Å; S420-E424 PolarHBondContact O-N 3.33Å
421	P	78.6	Confident	81.5	Confident	87 Å²	87	81.6 Å²	81.6	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-59.4	-32.6	173.6	-22.2	32.4	0	0	0	112.6	M419 W423 E424 M425	M419-P421 WeakPolarHBondContact O-CD 3.28Å; P421-W423 VanDerWaalsContact C-N 3.28Å; P421-W423 PolarHBondContact O-N 3.04Å; P421-E424 PolarHBondContact O-N 2.89Å; P421-M425 VanDerWaalsContact O-CG 3.27Å; P421-M425 WeakPolarHBondContact O-CG 3.49Å; P421-M425 PolarHBondContact O-N 3.44Å
422	L	75.8	Confident	80.6	Confident	67 Å²	67	76.8 Å²	76.8	35%	0.351	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-37	176.6	-67.9	172.7	0	0	0	111.7	S420 F426 I432 W437	S420-L422 PolarHBondContact O-N 2.98Å; L422-F426 WeakPolarHBondContact O-CB 3.41Å; L422-F426 PolarHBondContact O-N 3.41Å; L422-I432 HydrophobicContact CB-CD1 4.46Å; L422-I432 HydrophobicContact CD2-CG2 3.91Å; L422-W437 HydrophobicContact CD2-CH2 3.44Å; L422-W437 VanDerWaalsContact CD2-CH2 3.44Å; L422-W437 HydrophobicContact CD2-CZ2 3.37Å; L422-W437 HydrophobicContact CG-CH2 4.49Å
423	W	77.8	Confident	79.9	Confident	41 Å²	41	82.8 Å²	82.8	16%	0.155	43%	0.428	C	S	.	.	H	α-helix	trans	-72.8	-38.7	178.5	-173.9	-103.8	0	0	0	111.9	E332 H333 R417 S420 P421 F426 Q427	E332-W423 HydrophobicContact CB-CH2 4.38Å; E332-W423 WeakPolarHBondContact OE2-CZ2 3.4Å; H333-W423 AromaticContact CD2-CH2 3.86Å; R417-W423 HydrophobicContact CB-CB 4.29Å; R417-W423 HydrophobicContact CB-CD2 4.08Å; R417-W423 HydrophobicContact CB-CG 3.72Å; R417-W423 HydrophobicContact CG-CB 4.32Å; R417-W423 HydrophobicContact CG-CD2 3.73Å; R417-W423 HydrophobicContact CG-CE3 4.12Å; R417-W423 HydrophobicContact CG-CG 3.8Å; S420-W423 WeakPolarHBondContact O-CB 3.49Å; S420-W423 PolarHBondContact O-N 3.05Å; P421-W423 VanDerWaalsContact C-N 3.28Å; P421-W423 PolarHBondContact O-N 3.04Å; W423-F426 HydrophobicContact CE3-CD1 4.06Å; W423-F426 HydrophobicContact CH2-CD1 4.14Å; W423-F426 HydrophobicContact CH2-CE1 4.18Å; W423-F426 AromaticContact CZ3-CD1 3.79Å; W423-F426 HydrophobicContact CZ3-CD1 3.79Å; W423-F426 HydrophobicContact CZ3-CE1 4.07Å; W423-F426 WeakPolarHBondContact O-CB 3.43Å; W423-F426 PolarHBondContact O-N 3.26Å; W423-Q427 VanDerWaalsContact NE1-NE2 3.2Å; W423-Q427 WeakPolarHBondContact O-CG 3.28Å; W423-Q427 PolarHBondContact O-N 3.2Å
424	E	80	Confident	79.2	Confident	120 Å²	120	86.6 Å²	86.6	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-61.7	-49.2	173.9	-170.8	173.8	-155.4	0	0	111.2	S420 P421 F426 Q427 E428	S420-E424 PolarHBondContact O-N 3.33Å; P421-E424 PolarHBondContact O-N 2.89Å; E424-F426 VanDerWaalsContact C-N 3.27Å; E424-F426 PolarHBondContact O-N 2.63Å; E424-Q427 PolarHBondContact O-N 2.97Å; E424-Q427 VanDerWaalsContact O-N 3.09Å; E424-E428 WeakPolarHBondContact O-CG 3.35Å; E424-E428 PolarHBondContact O-N 3.29Å
425	M	79.4	Confident	78.4	Confident	50 Å²	50	86.2 Å²	86.2	25%	0.246	45%	0.448	C	S	.	.	H	α-helix	trans	-57.6	-40.5	174.8	-69.1	178	85.4	0	0	112.1	P421 E428 G429 V430 V435	P421-M425 VanDerWaalsContact O-CG 3.27Å; P421-M425 WeakPolarHBondContact O-CG 3.49Å; P421-M425 PolarHBondContact O-N 3.44Å; M425-E428 PolarHBondContact O-N 3.26Å; M425-G429 PolarHBondContact O-N 3.37Å; M425-V430 HydrophobicContact CB-CB 4.18Å; M425-V430 HydrophobicContact CE-CG1 4Å; M425-V430 VanDerWaalsContact O-CB 3.28Å; M425-V430 WeakPolarHBondContact O-CB 3.5Å; M425-V430 PolarHBondContact O-N 2.96Å; M425-V435 HydrophobicContact CE-CG1 4.19Å; M425-V435 HydrophobicContact CE-CG2 3.49Å; M425-V435 VanDerWaalsContact CE-CG2 3.49Å
426	F	77.5	Confident	77.3	Confident	82 Å²	82	91.2 Å²	91.2	36%	0.36	47%	0.472	S	S	.	.	H	α-helix	trans	-62.6	-44.2	175.4	178.3	-101.2	0	0	0	112.2	H333 L422 W423 E424 E428 G429 I432	H333-F426 AromaticContact CD2-CE1 3.78Å; H333-F426 AromaticContact CD2-CZ 3.94Å; H333-F426 AromaticContact CE1-CZ 3.55Å; H333-F426 AromaticContact NE2-CE1 3.32Å; H333-F426 VanDerWaalsContact NE2-CE1 3.32Å; H333-F426 WeakPolarHBondContact NE2-CE1 3.43Å; H333-F426 AromaticContact NE2-CZ 3.23Å; H333-F426 WeakPolarHBondContact NE2-CZ 3.45Å; L422-F426 WeakPolarHBondContact O-CB 3.41Å; L422-F426 PolarHBondContact O-N 3.41Å; W423-F426 HydrophobicContact CE3-CD1 4.06Å; W423-F426 HydrophobicContact CH2-CD1 4.14Å; W423-F426 HydrophobicContact CH2-CE1 4.18Å; W423-F426 AromaticContact CZ3-CD1 3.79Å; W423-F426 HydrophobicContact CZ3-CD1 3.79Å; W423-F426 HydrophobicContact CZ3-CE1 4.07Å; W423-F426 WeakPolarHBondContact O-CB 3.43Å; W423-F426 PolarHBondContact O-N 3.26Å; E424-F426 VanDerWaalsContact C-N 3.27Å; E424-F426 PolarHBondContact O-N 2.63Å; F426-E428 VanDerWaalsContact C-N 3.28Å; F426-E428 PolarHBondContact O-N 3.1Å; F426-G429 PolarHBondContact O-N 3.09Å; F426-I432 HydrophobicContact CB-CD1 4.19Å
427	Q	81	Confident	76.6	Confident	137 Å²	137	95.2 Å²	95.2	64%	0.64	48%	0.482	S	S	*	.	H	α-helix	trans	-65.6	-29.9	177.6	-73.4	-170.1	-33.1	0	0	113	W423 E424 G429	W423-Q427 VanDerWaalsContact NE1-NE2 3.2Å; W423-Q427 WeakPolarHBondContact O-CG 3.28Å; W423-Q427 PolarHBondContact O-N 3.2Å; E424-Q427 PolarHBondContact O-N 2.97Å; E424-Q427 VanDerWaalsContact O-N 3.09Å; Q427-G429 PolarHBondContact O-N 3.27Å
428	E	86.8	Confident	75	Confident	140 Å²	140	99 Å²	99	65%	0.654	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-3.8	172.3	-67.6	-177.6	163	0	0	113.5	E424 M425 F426 V430	E424-E428 WeakPolarHBondContact O-CG 3.35Å; E424-E428 PolarHBondContact O-N 3.29Å; M425-E428 PolarHBondContact O-N 3.26Å; F426-E428 VanDerWaalsContact C-N 3.28Å; F426-E428 PolarHBondContact O-N 3.1Å; E428-V430 HydrophobicContact CB-CG2 4.26Å
429	G	81	Confident	73.1	Confident	68 Å²	68	100.4 Å²	100.4	70%	0.701	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	16.7	-179.7	0	0	0	0	0	114.1	M425 F426 Q427	M425-G429 PolarHBondContact O-N 3.37Å; F426-G429 PolarHBondContact O-N 3.09Å; Q427-G429 PolarHBondContact O-N 3.27Å
430	V	77	Confident	70.8	Confident	52 Å²	52	105.5 Å²	105.5	32%	0.315	54%	0.537	S	S	.	.			trans	-74.9	126.7	175.7	-176.4	0	0	0	0	109.5	M425 E428 I432 V435	M425-V430 HydrophobicContact CB-CB 4.18Å; M425-V430 HydrophobicContact CE-CG1 4Å; M425-V430 VanDerWaalsContact O-CB 3.28Å; M425-V430 WeakPolarHBondContact O-CB 3.5Å; M425-V430 PolarHBondContact O-N 2.96Å; E428-V430 HydrophobicContact CB-CG2 4.26Å; V430-I432 PolarHBondContact O-N 2.96Å; V430-I432 VanDerWaalsContact O-N 3.08Å; V430-V435 HydrophobicContact CG1-CG2 4.08Å
431	D	74.8	Confident	70.5	Confident	99 Å²	99	108.9 Å²	108.9	53%	0.529	55%	0.551	S	S	.	*			trans	-70.7	104.6	169.7	-177.6	-1.1	0	0	0	109.5	K433 S434	D431-K433 PolarHBondContact O-N 3.4Å; D431-K433 VanDerWaalsContact O-N 3.11Å; D431-K433 WeakPolarHBondContact OD1-CB 3.27Å; D431-K433 PolarHBondContact OD1-N 3.37Å; D431-S434 WeakPolarHBondContact O-CB 3.47Å; D431-S434 PolarHBondContact O-N 3.01Å; D431-S434 PolarHBondContact O-OG 3.01Å
432	I	70.7	Confident	70.1	Confident	47 Å²	47	110 Å²	110	24%	0.241	55%	0.55	C	S	.	.	G	3₁₀ helix	trans	-55.2	-30.6	179.6	-62	168.8	0	0	0	111.2	L422 F426 V430 S434 V435 W437	L422-I432 HydrophobicContact CB-CD1 4.46Å; L422-I432 HydrophobicContact CD2-CG2 3.91Å; F426-I432 HydrophobicContact CB-CD1 4.19Å; V430-I432 PolarHBondContact O-N 2.96Å; V430-I432 VanDerWaalsContact O-N 3.08Å; I432-S434 PolarHBondContact O-N 3.05Å; I432-V435 WeakPolarHBondContact O-CB 3.5Å; I432-V435 PolarHBondContact O-N 2.97Å; I432-W437 HydrophobicContact CG2-CZ2 4.32Å
433	K	71.5	Confident	69.7	Low	155 Å²	155	112.4 Å²	112.4	67%	0.674	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-70.8	-18.3	178.2	-62.3	-168	176.9	-165	0	113.1	D381 D431	D381-K433 IonicContact OD1-NZ 3.65Å; D381-K433 PolarHBondContact OD1-NZ 3.36Å; D381-K433 WeakPolarHBondContact OD2-CE 3.2Å; D381-K433 IonicContact OD2-NZ 2.69Å; D381-K433 PolarHBondContact OD2-NZ 2.93Å; D431-K433 PolarHBondContact O-N 3.4Å; D431-K433 VanDerWaalsContact O-N 3.11Å; D431-K433 WeakPolarHBondContact OD1-CB 3.27Å; D431-K433 PolarHBondContact OD1-N 3.37Å
434	S	70.9	Confident	69.3	Low	84 Å²	84	116.6 Å²	116.6	59%	0.587	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-85.9	-12.2	176.7	76.7	0	0	0	0	113.6	D431 I432 K436	D431-S434 WeakPolarHBondContact O-CB 3.47Å; D431-S434 PolarHBondContact O-N 3.01Å; D431-S434 PolarHBondContact O-OG 3.01Å; I432-S434 PolarHBondContact O-N 3.05Å; S434-K436 PolarHBondContact O-N 3.15Å
435	V	69.7	Low	68.6	Low	40 Å²	40	116.4 Å²	116.4	24%	0.242	59%	0.586	C	S	.	*	S	Bend	trans	-76.5	120.4	-178.5	-176.3	0	0	0	0	109.6	M425 V430 I432 W437	M425-V435 HydrophobicContact CE-CG1 4.19Å; M425-V435 HydrophobicContact CE-CG2 3.49Å; M425-V435 VanDerWaalsContact CE-CG2 3.49Å; V430-V435 HydrophobicContact CG1-CG2 4.08Å; I432-V435 WeakPolarHBondContact O-CB 3.5Å; I432-V435 PolarHBondContact O-N 2.97Å; V435-W437 HydrophobicContact CB-CZ2 4.24Å; V435-W437 HydrophobicContact CG1-CD2 4.32Å; V435-W437 HydrophobicContact CG1-CH2 4.45Å; V435-W437 HydrophobicContact CG1-CZ2 3.96Å; V435-W437 PolarHBondContact O-N 3.3Å; V435-W437 VanDerWaalsContact O-N 3.1Å; V435-W437 PolarHBondContact O-NE1 3.22Å
436	K	63.2	Low	67.9	Low	202 Å²	202	120.8 Å²	120.8	88%	0.878	61%	0.609	S	S	*	*			trans	-77	95.8	174.2	-77.3	-173.2	177.8	-178.9	0	110.3	S434	S434-K436 PolarHBondContact O-N 3.15Å
437	W	66.9	Low	67.2	Low	153 Å²	153	123.6 Å²	123.6	58%	0.58	63%	0.627	S	S	*	*			trans	-69	131.4	172.6	-59.9	98.1	0	0	0	110.7	L422 I432 V435 Q439	L422-W437 HydrophobicContact CD2-CH2 3.44Å; L422-W437 VanDerWaalsContact CD2-CH2 3.44Å; L422-W437 HydrophobicContact CD2-CZ2 3.37Å; L422-W437 HydrophobicContact CG-CH2 4.49Å; I432-W437 HydrophobicContact CG2-CZ2 4.32Å; V435-W437 HydrophobicContact CB-CZ2 4.24Å; V435-W437 HydrophobicContact CG1-CD2 4.32Å; V435-W437 HydrophobicContact CG1-CH2 4.45Å; V435-W437 HydrophobicContact CG1-CZ2 3.96Å; V435-W437 PolarHBondContact O-N 3.3Å; V435-W437 VanDerWaalsContact O-N 3.1Å; V435-W437 PolarHBondContact O-NE1 3.22Å; W437-Q439 PolarHBondContact O-N 3.35Å
438	V	49.2	Very low	66.1	Low	115 Å²	115	122.5 Å²	122.5	70%	0.697	63%	0.626	S	S	*	*			trans	-77.4	108.1	172.1	-173.3	0	0	0	0	107	H440	V438-H440 PolarHBondContact O-N 3.32Å
439	Q	44.6	Very low	64.4	Low	193 Å²	193	121.1 Å²	121.1	90%	0.902	62%	0.623	S	S	*	*			trans	-67.6	116.8	170.1	-78.8	-177.8	-22.5	0	0	108.3	W437	W437-Q439 PolarHBondContact O-N 3.35Å
440	H	33.2	Very low	62.9	Low	245 Å²	245	125.9 Å²	125.9	100%	1.134	62%	0.616	S	S	*	*			trans	-91.2	0	173.3	-83.5	-57.1	0	0	0	111.8	V438	V438-H440 PolarHBondContact O-N 3.32Å

Retrieved 440 of 440 residues in 270.3 ms (Link to these results)

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