A0A093K8Y2_STRCA Loading...

iodotyrosine deiodinase

AlphaFold DB , UniProt , Accession A0A093K8Y2, Species STRCA (Struthio camelus australis), Gene n/a, Length 291 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	37.1	Very low	53.2	Low	238 Å²	238	127.1 Å²	127.1	100%	1.172	71%	0.707	S	S	*	*				0	96.8	0	-71	-169.7	-94.7	0	0	106.2
2	A	38.1	Very low	54.8	Low	87 Å²	87	125.4 Å²	125.4	72%	0.719	69%	0.694	S	S	*	*				68.5	118.9	96.7	0	0	0	0	0	109.3
3	L	41.4	Very low	56.3	Low	148 Å²	148	119.8 Å²	119.8	78%	0.775	67%	0.674	S	S	*	*			cis	-159.1	146.1	25.7	-82.6	110.4	0	0	0	110
4	F	41.8	Very low	57.8	Low	177 Å²	177	117.6 Å²	117.6	78%	0.776	66%	0.659	S	S	*	*			trans	40.5	119.3	140.9	-68.6	-94.4	0	0	0	119.9
5	S	55.9	Low	59.1	Low	103 Å²	103	114.8 Å²	114.8	72%	0.72	64%	0.641	S	S	*	*				48.4	96	52.8	178.1	0	0	0	0	114.5
6	S	52.8	Low	60.1	Low	90 Å²	90	112.3 Å²	112.3	63%	0.629	63%	0.632	S	S	*	*			trans	-171	-4.4	148.1	56.7	0	0	0	0	115.8
7	L	55.6	Low	61.4	Low	127 Å²	127	111.6 Å²	111.6	67%	0.665	63%	0.631	S	S	*	*	S	Bend	trans	-95.8	-3.2	-172.5	-87.6	151.2	0	0	0	116.4	F11	L7-F11 WeakPolarHBondContact O-CB 3.44Å; L7-F11 PolarHBondContact O-N 2.59Å
8	T	63.9	Low	62.3	Low	102 Å²	102	110.8 Å²	110.8	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-81.1	-38.1	-171.8	42.2	0	0	0	0	116.3	I12	T8-I12 VanDerWaalsContact O-CD1 3.27Å; T8-I12 WeakPolarHBondContact O-CD1 3.5Å; T8-I12 WeakPolarHBondContact O-CG1 3.45Å; T8-I12 PolarHBondContact O-N 3.43Å
9	P	61.6	Low	63.1	Low	89 Å²	89	109.7 Å²	109.7	58%	0.578	62%	0.616	S	S	*	*	H	α-helix	trans	-78.3	-37.5	-178.9	-8.3	23.9	0	0	0	112.6	I12 A13	P9-I12 PolarHBondContact O-N 3.43Å; P9-A13 WeakPolarHBondContact O-CB 3.42Å; P9-A13 PolarHBondContact O-N 2.9Å
10	I	68.4	Low	63.6	Low	108 Å²	108	107 Å²	107	55%	0.554	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-39.7	-178.6	-63.2	174	0	0	0	110.3	A13 I14	I10-A13 PolarHBondContact O-N 3.27Å; I10-I14 HydrophobicContact CG2-CD1 3.81Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 WeakPolarHBondContact O-CB 3.23Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.22Å
11	F	68.9	Low	64	Low	129 Å²	129	104.4 Å²	104.4	57%	0.566	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-37.1	178.2	-149.7	-95	0	0	0	111.8	L7 I14 I15	L7-F11 WeakPolarHBondContact O-CB 3.44Å; L7-F11 PolarHBondContact O-N 2.59Å; F11-I14 PolarHBondContact O-N 2.9Å; F11-I15 HydrophobicContact CD1-CD1 3.67Å; F11-I15 HydrophobicContact CD1-CG1 4.39Å; F11-I15 HydrophobicContact CE1-CD1 3.9Å; F11-I15 WeakPolarHBondContact O-CB 3.43Å; F11-I15 VanDerWaalsContact O-CG1 3.26Å; F11-I15 WeakPolarHBondContact O-CG1 3.26Å; F11-I15 PolarHBondContact O-N 3.24Å
12	I	72.3	Confident	65.8	Low	107 Å²	107	98 Å²	98	55%	0.549	57%	0.568	S	S	.	*	H	α-helix	trans	-66.1	-42.8	172.5	-67.8	169.1	0	0	0	110.8	T8 P9 I14 I15 C16	T8-I12 VanDerWaalsContact O-CD1 3.27Å; T8-I12 WeakPolarHBondContact O-CD1 3.5Å; T8-I12 WeakPolarHBondContact O-CG1 3.45Å; T8-I12 PolarHBondContact O-N 3.43Å; P9-I12 PolarHBondContact O-N 3.43Å; I12-I14 PolarHBondContact O-N 3.05Å; I12-I15 PolarHBondContact O-N 3.23Å; I12-C16 PolarHBondContact O-N 2.95Å; I12-C16 PolarHBondContact O-SG 2.79Å
13	A	73.9	Confident	67.2	Low	53 Å²	53	99 Å²	99	44%	0.438	56%	0.561	S	S	.	*	H	α-helix	trans	-62.8	-41.1	176.8	0	0	0	0	0	112.3	P9 I10 C16 V17	P9-A13 WeakPolarHBondContact O-CB 3.42Å; P9-A13 PolarHBondContact O-N 2.9Å; I10-A13 PolarHBondContact O-N 3.27Å; A13-C16 PolarHBondContact O-N 3.16Å; A13-V17 VanDerWaalsContact O-CG2 3.27Å; A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 3.13Å
14	I	77.1	Confident	68.2	Low	89 Å²	89	100.1 Å²	100.1	46%	0.456	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-41.1	175.5	-68.8	166.9	0	0	0	110.9	I10 F11 I12 V17 L18	I10-I14 HydrophobicContact CG2-CD1 3.81Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 WeakPolarHBondContact O-CB 3.23Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.22Å; F11-I14 PolarHBondContact O-N 2.9Å; I12-I14 PolarHBondContact O-N 3.05Å; I14-V17 PolarHBondContact O-N 3.19Å; I14-L18 HydrophobicContact CG2-CD1 3.85Å; I14-L18 HydrophobicContact CG2-CG 4.45Å; I14-L18 WeakPolarHBondContact O-CB 3.3Å; I14-L18 VanDerWaalsContact O-CG 3.32Å; I14-L18 WeakPolarHBondContact O-CG 3.32Å; I14-L18 PolarHBondContact O-N 2.84Å
15	I	77.6	Confident	68.9	Low	75 Å²	75	100.1 Å²	100.1	39%	0.385	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-43.2	175	-71.6	168.9	0	0	0	111	F11 I12 V17 L18 I19	F11-I15 HydrophobicContact CD1-CD1 3.67Å; F11-I15 HydrophobicContact CD1-CG1 4.39Å; F11-I15 HydrophobicContact CE1-CD1 3.9Å; F11-I15 WeakPolarHBondContact O-CB 3.43Å; F11-I15 VanDerWaalsContact O-CG1 3.26Å; F11-I15 WeakPolarHBondContact O-CG1 3.26Å; F11-I15 PolarHBondContact O-N 3.24Å; I12-I15 PolarHBondContact O-N 3.23Å; I15-V17 PolarHBondContact O-N 3Å; I15-L18 PolarHBondContact O-N 3.43Å; I15-I19 HydrophobicContact CG2-CD1 3.68Å; I15-I19 HydrophobicContact CG2-CG1 4.33Å; I15-I19 WeakPolarHBondContact O-CB 3.46Å; I15-I19 VanDerWaalsContact O-CG1 3.26Å; I15-I19 WeakPolarHBondContact O-CG1 3.49Å; I15-I19 PolarHBondContact O-N 3.16Å
16	C	75.4	Confident	68.5	Low	74 Å²	74	101.4 Å²	101.4	50%	0.5	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-39.3	176.6	-70.3	0	0	0	0	112.3	I12 A13 A20	I12-C16 PolarHBondContact O-N 2.95Å; I12-C16 PolarHBondContact O-SG 2.79Å; A13-C16 PolarHBondContact O-N 3.16Å; C16-A20 VanDerWaalsContact O-CB 3.28Å; C16-A20 WeakPolarHBondContact O-CB 3.26Å; C16-A20 PolarHBondContact O-N 3.43Å
17	V	81.3	Confident	68.3	Low	101 Å²	101	103.3 Å²	103.3	61%	0.612	56%	0.562	S	S	*	*	H	α-helix	trans	-68.2	-39	175.2	172.3	0	0	0	0	111.3	A13 I14 I15 A20 A21	A13-V17 VanDerWaalsContact O-CG2 3.27Å; A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 3.13Å; I14-V17 PolarHBondContact O-N 3.19Å; I15-V17 PolarHBondContact O-N 3Å; V17-A20 PolarHBondContact O-N 3.37Å; V17-A21 VanDerWaalsContact O-CB 3.25Å; V17-A21 WeakPolarHBondContact O-CB 3.36Å; V17-A21 PolarHBondContact O-N 2.88Å
18	L	78.6	Confident	67.9	Low	98 Å²	98	99.7 Å²	99.7	51%	0.513	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-41.6	175	-77.7	166.9	0	0	0	111.9	I14 I15 A21 I22	I14-L18 HydrophobicContact CG2-CD1 3.85Å; I14-L18 HydrophobicContact CG2-CG 4.45Å; I14-L18 WeakPolarHBondContact O-CB 3.3Å; I14-L18 VanDerWaalsContact O-CG 3.32Å; I14-L18 WeakPolarHBondContact O-CG 3.32Å; I14-L18 PolarHBondContact O-N 2.84Å; I15-L18 PolarHBondContact O-N 3.43Å; L18-A21 PolarHBondContact O-N 3.48Å; L18-I22 WeakPolarHBondContact O-CB 3.43Å; L18-I22 WeakPolarHBondContact O-CD1 3.36Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 3.27Å
19	I	76.8	Confident	66.8	Low	90 Å²	90	101.9 Å²	101.9	46%	0.462	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-43.4	174.5	-68.5	168.5	0	0	0	110.3	I15 A21 I22 L23	I15-I19 HydrophobicContact CG2-CD1 3.68Å; I15-I19 HydrophobicContact CG2-CG1 4.33Å; I15-I19 WeakPolarHBondContact O-CB 3.46Å; I15-I19 VanDerWaalsContact O-CG1 3.26Å; I15-I19 WeakPolarHBondContact O-CG1 3.49Å; I15-I19 PolarHBondContact O-N 3.16Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.36Å; I19-I22 PolarHBondContact O-N 2.88Å; I19-L23 HydrophobicContact CG2-CD1 3.85Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.49Å
20	A	72.7	Confident	65.5	Low	55 Å²	55	103.3 Å²	103.3	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-64.5	-37.2	175.5	0	0	0	0	0	112.2	C16 V17 K24	C16-A20 VanDerWaalsContact O-CB 3.28Å; C16-A20 WeakPolarHBondContact O-CB 3.26Å; C16-A20 PolarHBondContact O-N 3.43Å; V17-A20 PolarHBondContact O-N 3.37Å; A20-K24 WeakPolarHBondContact O-CB 3.42Å; A20-K24 PolarHBondContact O-N 3.27Å
21	A	73.8	Confident	63.8	Low	52 Å²	52	106 Å²	106	43%	0.43	58%	0.58	S	S	.	*	H	α-helix	trans	-70.5	-36.9	175.5	0	0	0	0	0	112.3	V17 L18 I19 K25	V17-A21 VanDerWaalsContact O-CB 3.25Å; V17-A21 WeakPolarHBondContact O-CB 3.36Å; V17-A21 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 3.48Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.36Å; A21-K25 WeakPolarHBondContact O-CB 3.25Å; A21-K25 PolarHBondContact O-N 3.31Å
22	I	73.2	Confident	62.1	Low	103 Å²	103	108.9 Å²	108.9	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-68.8	-43	174.2	-69.2	164.3	0	0	0	110.5	L18 I19 K25 N26	L18-I22 WeakPolarHBondContact O-CB 3.43Å; L18-I22 WeakPolarHBondContact O-CD1 3.36Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 3.27Å; I19-I22 PolarHBondContact O-N 2.88Å; I22-K25 PolarHBondContact O-N 3.11Å; I22-N26 WeakPolarHBondContact O-CB 3.14Å; I22-N26 PolarHBondContact O-N 3.11Å
23	L	69.2	Low	60.1	Low	109 Å²	109	114.3 Å²	114.3	57%	0.571	61%	0.606	S	S	*	*	H	α-helix	trans	-65.4	-38.3	174.5	-71.4	171.7	0	0	0	111.8	I19 N27	I19-L23 HydrophobicContact CG2-CD1 3.85Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.49Å; L23-N27 WeakPolarHBondContact O-CB 3.16Å; L23-N27 PolarHBondContact O-N 2.98Å
24	K	62.1	Low	57.9	Low	172 Å²	172	118.5 Å²	118.5	75%	0.748	62%	0.617	S	S	*	*	H	α-helix	trans	-73.1	-33.4	176.3	-166.1	175.5	-176.9	-179.5	0	112.7	A20 N27 G28	A20-K24 WeakPolarHBondContact O-CB 3.42Å; A20-K24 PolarHBondContact O-N 3.27Å; K24-N27 PolarHBondContact O-N 3.12Å; K24-G28 PolarHBondContact O-N 2.84Å
25	K	55	Low	55.5	Low	176 Å²	176	120.1 Å²	120.1	77%	0.765	63%	0.63	S	S	*	*	H	α-helix	trans	-74.2	-29.6	174.4	-168.5	175.5	179.8	-180	0	112.2	A21 I22	A21-K25 WeakPolarHBondContact O-CB 3.25Å; A21-K25 PolarHBondContact O-N 3.31Å; I22-K25 PolarHBondContact O-N 3.11Å
26	N	49.2	Very low	53.3	Low	130 Å²	130	125.1 Å²	125.1	70%	0.695	65%	0.649	S	S	*	*	H	α-helix	trans	-79.8	-20.6	170.1	-85.7	2.2	0	0	0	113.7	I22	I22-N26 WeakPolarHBondContact O-CB 3.14Å; I22-N26 PolarHBondContact O-N 3.11Å
27	N	48.4	Very low	51.2	Low	131 Å²	131	126.2 Å²	126.2	70%	0.701	66%	0.658	S	S	*	*	S	Bend	trans	-92.4	1.9	173.9	-96.2	-0.3	0	0	0	114.2	L23 K24	L23-N27 WeakPolarHBondContact O-CB 3.16Å; L23-N27 PolarHBondContact O-N 2.98Å; K24-N27 PolarHBondContact O-N 3.12Å
28	G	45.7	Very low	48.7	Very low	50 Å²	50	130.3 Å²	130.3	52%	0.515	67%	0.668	S	S	.	*	S	Bend	trans	-111.3	56.1	-179	0	0	0	0	0	112.1	K24	K24-G28 PolarHBondContact O-N 2.84Å
29	D	41.2	Very low	46.6	Very low	149 Å²	149	130.8 Å²	130.8	80%	0.797	68%	0.677	S	S	*	*			trans	-178.6	38	152.3	-100.1	-8.4	0	0	0	111.8	E31	D29-E31 PolarHBondContact O-N 2.82Å; D29-E31 VanDerWaalsContact O-N 3.16Å
30	T	34.6	Very low	44.6	Very low	119 Å²	119	134.4 Å²	134.4	73%	0.73	70%	0.696	S	S	*	*			trans	-82.4	66.3	150.4	27.3	0	0	0	0	108.1	K32	T30-K32 PolarHBondContact O-N 3.08Å
31	E	33.9	Very low	42.9	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.762	71%	0.708	S	S	*	*			trans	-47	125.6	142	-92	-172.5	154.2	0	0	105.7	D29 R33	D29-E31 PolarHBondContact O-N 2.82Å; D29-E31 VanDerWaalsContact O-N 3.16Å; E31-R33 PolarHBondContact O-N 3.17Å
32	K	33.2	Very low	41.3	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	72%	0.724	S	S	*	*			trans	-58.5	82.7	161.5	-78.4	178.5	174.5	-179.7	0	107.1	T30 E34	T30-K32 PolarHBondContact O-N 3.08Å; K32-E34 PolarHBondContact O-N 2.81Å
33	R	29.3	Very low	39.8	Very low	221 Å²	221	144 Å²	144	83%	0.834	73%	0.732	S	S	*	*			trans	-62.8	82.4	138.7	-95	-178.7	172.8	174.3	-0.7	104.5	E31 T35	E31-R33 PolarHBondContact O-N 3.17Å; R33-T35 PolarHBondContact O-N 3.26Å
34	E	28.5	Very low	38.5	Very low	142 Å²	142	145 Å²	145	66%	0.664	73%	0.729	S	S	*	*			trans	-50.5	91	137.5	-77.5	-177.2	178	0	0	104.9	K32 K36	K32-E34 PolarHBondContact O-N 2.81Å; E34-K36 PolarHBondContact O-N 2.83Å
35	T	27.1	Very low	37.4	Very low	122 Å²	122	140.2 Å²	140.2	75%	0.748	71%	0.714	S	S	*	*			trans	-56.5	91.5	142	31.8	0	0	0	0	103	R33 S37	R33-T35 PolarHBondContact O-N 3.26Å; T35-S37 PolarHBondContact O-N 3.42Å
36	K	31.3	Very low	37.5	Very low	180 Å²	180	133 Å²	133	78%	0.783	68%	0.683	S	S	*	*			trans	-51.5	82.6	140.3	-76.7	-176.9	178.9	179.2	0	103.5	E34 K38	E34-K36 PolarHBondContact O-N 2.83Å; K36-K38 PolarHBondContact O-N 3.24Å
37	S	30.3	Very low	37.6	Very low	98 Å²	98	134.2 Å²	134.2	69%	0.685	69%	0.685	S	S	*	*			trans	-50.2	101.7	143.4	60.5	0	0	0	0	101	T35 P39	T35-S37 PolarHBondContact O-N 3.42Å; S37-P39 WeakPolarHBondContact O-CD 3.2Å
38	K	29.8	Very low	37.7	Very low	186 Å²	186	131.7 Å²	131.7	81%	0.809	67%	0.672	S	S	*	*			trans	-43.1	120.5	163.9	-88.2	-179.8	172.8	179.1	0	102.6	K36 L40	K36-K38 PolarHBondContact O-N 3.24Å; K38-L40 PolarHBondContact O-N 3.34Å
39	P	34.3	Very low	37.9	Very low	109 Å²	109	133.8 Å²	133.8	71%	0.708	67%	0.67	S	S	*	*			trans	-50.1	122.1	167.5	22.7	-29.4	0	0	0	102.6	S37 S41	S37-P39 WeakPolarHBondContact O-CD 3.2Å; P39-S41 WeakPolarHBondContact O-CA 3Å; P39-S41 PolarHBondContact O-N 2.97Å
40	L	33.4	Very low	38.4	Very low	166 Å²	166	132.3 Å²	132.3	87%	0.869	66%	0.657	S	S	*	*			trans	-40.9	105.7	172.8	-101.8	142.7	0	0	0	103.8	K38 R42	K38-L40 PolarHBondContact O-N 3.34Å; L40-R42 PolarHBondContact O-N 3.2Å
41	S	37.7	Very low	38.9	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	64%	0.642	S	S	*	*			trans	-64.8	99.8	-170.6	48.7	0	0	0	0	102.3	P39 P43	P39-S41 WeakPolarHBondContact O-CA 3Å; P39-S41 PolarHBondContact O-N 2.97Å; S41-P43 WeakPolarHBondContact O-CD 3.19Å
42	R	39.3	Very low	39.6	Very low	200 Å²	200	123.5 Å²	123.5	76%	0.755	61%	0.612	S	S	*	*			trans	-59.2	110.3	176.9	-77.1	-178.5	167.7	-177.4	-2	102.4	L40 W44 V45	L40-R42 PolarHBondContact O-N 3.2Å; R42-W44 PolarHBondContact O-N 3.25Å; R42-V45 HydrophobicContact CB-CG2 3.88Å; R42-V45 PolarHBondContact O-N 2.82Å
43	P	41.6	Very low	40.2	Very low	109 Å²	109	117.6 Å²	117.6	71%	0.708	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-2.4	-173.1	-17.9	31.2	0	0	0	112.6	S41	S41-P43 WeakPolarHBondContact O-CD 3.19Å
44	W	42.7	Very low	40.8	Very low	130 Å²	130	113.7 Å²	113.7	49%	0.492	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.9	0.1	-168.9	-52.5	98.9	0	0	0	113.5	R42 D46 K165 R166 G168	R42-W44 PolarHBondContact O-N 3.25Å; W44-D46 VanDerWaalsContact C-N 3.35Å; W44-D46 PolarHBondContact O-N 3.45Å; W44-K165 WeakPolarHBondContact CH2-O 3.33Å; W44-K165 WeakPolarHBondContact CZ3-O 3.24Å; W44-R166 WeakPolarHBondContact CZ3-O 3.49Å; W44-G168 VanDerWaalsContact CH2-CA 3.47Å; W44-G168 VanDerWaalsContact CZ3-CA 3.45Å
45	V	39.9	Very low	41.5	Very low	73 Å²	73	113.2 Å²	113.2	44%	0.442	59%	0.585	S	S	.	*			trans	-92	80.6	174.4	-172.5	0	0	0	0	107.6	R42 K50	R42-V45 HydrophobicContact CB-CG2 3.88Å; R42-V45 PolarHBondContact O-N 2.82Å; V45-K50 HydrophobicContact CG1-CG 3.9Å
46	D	55.9	Low	41.9	Very low	23 Å²	23	115.1 Å²	115.1	12%	0.123	59%	0.586	C	S	.	*			trans	-54.6	142.4	171.1	-75.7	-17.6	0	0	0	109.5	W44 D48 L49 K50 L243 N244	W44-D46 VanDerWaalsContact C-N 3.35Å; W44-D46 PolarHBondContact O-N 3.45Å; D46-D48 PolarHBondContact O-N 2.98Å; D46-D48 VanDerWaalsContact O-N 3.09Å; D46-L49 HydrophobicContact CB-CD1 4.39Å; D46-L49 HydrophobicContact CB-CG 4.37Å; D46-L49 PolarHBondContact O-N 3.12Å; D46-K50 PolarHBondContact O-N 2.69Å; D46-L243 HydrophobicContact CB-CD1 4.04Å; D46-L243 WeakPolarHBondContact OD2-CD2 3.4Å; D46-L243 WeakPolarHBondContact OD2-CG 3.18Å; D46-N244 PolarHBondContact OD2-ND2 3.44Å
47	E	52.5	Low	42.5	Very low	157 Å²	157	114.2 Å²	114.2	73%	0.734	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-57.6	-24.8	178.9	-71.2	-169.1	150.8	0	0	112.7	L49	E47-L49 VanDerWaalsContact C-N 3.31Å
48	D	50.1	Low	42.9	Very low	77 Å²	77	116.7 Å²	116.7	41%	0.412	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-71.3	-21.8	174.8	-70.7	-15.2	0	0	0	113.5	D46 L243 N244	D46-D48 PolarHBondContact O-N 2.98Å; D46-D48 VanDerWaalsContact O-N 3.09Å; D48-L243 HydrophobicContact CB-CD1 3.99Å; D48-N244 VanDerWaalsContact OD2-CA 3.25Å; D48-N244 WeakPolarHBondContact OD2-CA 3.46Å; D48-N244 PolarHBondContact OD2-N 3.12Å
49	L	48.8	Very low	43.4	Very low	94 Å²	94	116.6 Å²	116.6	49%	0.492	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-97.8	-5.7	178.9	-64.9	177	0	0	0	113.1	D46 E47 D51 L243	D46-L49 HydrophobicContact CB-CD1 4.39Å; D46-L49 HydrophobicContact CB-CG 4.37Å; D46-L49 PolarHBondContact O-N 3.12Å; E47-L49 VanDerWaalsContact C-N 3.31Å; L49-D51 PolarHBondContact O-N 2.89Å; L49-L243 HydrophobicContact CD1-CD1 4.38Å; L49-L243 HydrophobicContact CD2-CD1 4.31Å; L49-L243 HydrophobicContact CG-CD1 4.02Å
50	K	51.4	Low	43.7	Very low	119 Å²	119	118.3 Å²	118.3	52%	0.517	59%	0.59	S	S	.	*	S	Bend	trans	-71.4	116.1	169.9	-68.8	-179.6	-176.1	169.5	0	107.4	V45 D46 S52	V45-K50 HydrophobicContact CG1-CG 3.9Å; D46-K50 PolarHBondContact O-N 2.69Å; K50-S52 PolarHBondContact O-N 3.09Å
51	D	45.7	Very low	44.1	Very low	77 Å²	77	119.5 Å²	119.5	41%	0.412	59%	0.591	S	S	.	*			trans	-55.2	117.6	173.5	-168.5	-13.4	0	0	0	108.6	L49 T53 D54	L49-D51 PolarHBondContact O-N 2.89Å; D51-T53 PolarHBondContact O-N 2.98Å; D51-T53 PolarHBondContact OD1-N 2.76Å; D51-T53 PolarHBondContact OD1-OG1 3.31Å; D51-T53 PolarHBondContact OD2-OG1 2.73Å; D51-D54 VanDerWaalsContact O-CB 3.32Å; D51-D54 WeakPolarHBondContact O-CB 3.36Å; D51-D54 PolarHBondContact O-N 2.73Å
52	S	49.3	Very low	44.5	Very low	19 Å²	19	119.3 Å²	119.3	13%	0.133	59%	0.586	C	S	.	*	G	3₁₀ helix	trans	-70.4	-6.1	178.5	51.9	0	0	0	0	113	K50 H55 K198	K50-S52 PolarHBondContact O-N 3.09Å; S52-H55 PolarHBondContact O-CD2 3.06Å; S52-K198 PolarHBondContact OG-NZ 3.26Å
53	T	45.7	Very low	44.9	Very low	66 Å²	66	117.4 Å²	117.4	41%	0.405	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-72.3	-17.6	166	60.7	0	0	0	0	112.6	D51 H55	D51-T53 PolarHBondContact O-N 2.98Å; D51-T53 PolarHBondContact OD1-N 2.76Å; D51-T53 PolarHBondContact OD1-OG1 3.31Å; D51-T53 PolarHBondContact OD2-OG1 2.73Å; T53-H55 PolarHBondContact O-N 2.83Å
54	D	41.8	Very low	45.1	Very low	140 Å²	140	117.1 Å²	117.1	75%	0.749	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-91.1	20.4	178.6	-120.1	16.9	0	0	0	112.2	D51 Q56	D51-D54 VanDerWaalsContact O-CB 3.32Å; D51-D54 WeakPolarHBondContact O-CB 3.36Å; D51-D54 PolarHBondContact O-N 2.73Å; D54-Q56 PolarHBondContact O-N 3.1Å
55	H	43.5	Very low	45.3	Very low	131 Å²	131	118 Å²	118	61%	0.606	59%	0.59	S	S	*	*			trans	-57.3	100.1	152.6	-84.1	-64.8	0	0	0	105.9	S52 T53 L57	S52-H55 PolarHBondContact O-CD2 3.06Å; T53-H55 PolarHBondContact O-N 2.83Å; H55-L57 VanDerWaalsContact C-N 3.27Å; H55-L57 PolarHBondContact O-N 3.38Å
56	Q	35.8	Very low	45.7	Very low	163 Å²	163	125.9 Å²	125.9	76%	0.762	61%	0.611	S	S	*	*			trans	-40.8	111.4	147	-72.9	-177.4	-10.9	0	0	103.7	D54 E58	D54-Q56 PolarHBondContact O-N 3.1Å; Q56-E58 PolarHBondContact O-N 2.76Å
57	L	43	Very low	45.7	Very low	160 Å²	160	129.6 Å²	129.6	84%	0.838	63%	0.628	S	S	*	*			trans	-58.1	81.5	156.8	-64.7	163.3	0	0	0	102.6	H55 E59	H55-L57 VanDerWaalsContact C-N 3.27Å; H55-L57 PolarHBondContact O-N 3.38Å; L57-E59 PolarHBondContact O-N 2.91Å
58	E	38.6	Very low	45.9	Very low	151 Å²	151	124.1 Å²	124.1	71%	0.706	61%	0.614	S	S	*	*			trans	-53.3	108.6	151.3	-78.2	-176.5	173	0	0	101.2	Q56 E60	Q56-E58 PolarHBondContact O-N 2.76Å; E58-E60 PolarHBondContact O-N 2.91Å
59	E	39.9	Very low	46.4	Very low	183 Å²	183	125.1 Å²	125.1	86%	0.855	62%	0.615	S	S	*	*			trans	-58.7	69.8	165.1	-67.4	173.7	168.5	0	0	105.6	L57 E61	L57-E59 PolarHBondContact O-N 2.91Å; E59-E61 PolarHBondContact O-N 3Å; E59-E61 VanDerWaalsContact O-N 3.15Å
60	E	41.6	Very low	47.3	Very low	146 Å²	146	125.7 Å²	125.7	68%	0.682	62%	0.618	S	S	*	*			trans	-51.6	120.5	147.2	-74	-172.5	165.9	0	0	102.8	E58 V62	E58-E60 PolarHBondContact O-N 2.91Å; E60-V62 HydrophobicContact CB-CG2 4.43Å; E60-V62 WeakPolarHBondContact O-CG2 3.31Å; E60-V62 PolarHBondContact O-N 3.22Å
61	E	42.2	Very low	48.2	Very low	191 Å²	191	128.1 Å²	128.1	89%	0.893	63%	0.631	S	S	*	*			trans	-56.5	84.1	175	-72.2	178.5	155	0	0	108	E59 D63	E59-E61 PolarHBondContact O-N 3Å; E59-E61 VanDerWaalsContact O-N 3.15Å; E61-D63 PolarHBondContact O-N 3.39Å
62	V	44.7	Very low	50	Low	96 Å²	96	131.1 Å²	131.1	58%	0.582	65%	0.647	S	S	*	*			trans	-83.2	82	171.9	-178.7	0	0	0	0	104.8	E60 E64	E60-V62 HydrophobicContact CB-CG2 4.43Å; E60-V62 WeakPolarHBondContact O-CG2 3.31Å; E60-V62 PolarHBondContact O-N 3.22Å; V62-E64 HydrophobicContact CG1-CB 3.52Å; V62-E64 HydrophobicContact CG1-CG 3.72Å; V62-E64 PolarHBondContact O-N 3.4Å
63	D	47.4	Very low	52	Low	161 Å²	161	135.4 Å²	135.4	86%	0.861	67%	0.668	S	S	*	*			trans	-61.7	69.2	152.9	-87.7	-20.5	0	0	0	108.2	E61	E61-D63 PolarHBondContact O-N 3.39Å
64	E	47.2	Very low	54.3	Low	102 Å²	102	136.2 Å²	136.2	48%	0.477	68%	0.681	S	S	.	*			trans	-141.2	109.2	172.6	-58.7	-166.6	130.1	0	0	110.6	V62 W66 K208	V62-E64 HydrophobicContact CG1-CB 3.52Å; V62-E64 HydrophobicContact CG1-CG 3.72Å; V62-E64 PolarHBondContact O-N 3.4Å; E64-W66 PolarHBondContact O-N 3.36Å; E64-K208 WeakPolarHBondContact OE1-CE 3.4Å; E64-K208 IonicContact OE1-NZ 2.68Å; E64-K208 PolarHBondContact OE1-NZ 3.29Å
65	E	46.1	Very low	56.8	Low	150 Å²	150	138.4 Å²	138.4	70%	0.701	69%	0.686	S	S	*	*			trans	-20	125.3	160	-76.9	171.7	126.7	0	0	113.2	Q67	E65-Q67 VanDerWaalsContact C-N 3.34Å; E65-Q67 HydrophobicContact CB-CG 3.73Å; E65-Q67 VanDerWaalsContact CB-NE2 3.29Å; E65-Q67 WeakPolarHBondContact O-CB 3.36Å; E65-Q67 WeakPolarHBondContact O-CG 3.48Å; E65-Q67 PolarHBondContact O-N 2.88Å; E65-Q67 PolarHBondContact OE1-NE2 3.33Å; E65-Q67 PolarHBondContact OE2-NE2 2.98Å
66	W	49.5	Very low	59.3	Low	237 Å²	237	139.1 Å²	139.1	90%	0.898	69%	0.693	S	S	*	*	S	Bend	trans	-48.2	93.3	167.2	-85.9	78.1	0	0	0	110.3	E64	E64-W66 PolarHBondContact O-N 3.36Å
67	Q	55.4	Low	62.3	Low	102 Å²	102	136.1 Å²	136.1	48%	0.477	69%	0.688	S	S	.	*			trans	-137.8	126.4	-168.9	-81.4	179.8	5.5	0	0	113.1	E65	E65-Q67 VanDerWaalsContact C-N 3.34Å; E65-Q67 HydrophobicContact CB-CG 3.73Å; E65-Q67 VanDerWaalsContact CB-NE2 3.29Å; E65-Q67 WeakPolarHBondContact O-CB 3.36Å; E65-Q67 WeakPolarHBondContact O-CG 3.48Å; E65-Q67 PolarHBondContact O-N 2.88Å; E65-Q67 PolarHBondContact OE1-NE2 3.33Å; E65-Q67 PolarHBondContact OE2-NE2 2.98Å
68	G	55.3	Low	64.8	Low	42 Å²	42	137.3 Å²	137.3	43%	0.433	69%	0.686	S	S	.	*	S	Bend	trans	146.3	-8	165.2	0	0	0	0	0	115.4
69	F	61.3	Low	67.5	Low	98 Å²	98	138.6 Å²	138.6	43%	0.43	69%	0.69	S	S	.	*	S	Bend	trans	-104.3	133.2	170.8	-63	-73.2	0	0	0	108.8	E71 A132 T134	F69-E71 PolarHBondContact O-N 2.87Å; F69-E71 VanDerWaalsContact O-N 3.08Å; F69-A132 HydrophobicContact CE1-CB 4.19Å; F69-A132 WeakPolarHBondContact CE1-O 3.26Å; F69-A132 HydrophobicContact CE2-CB 4.28Å; F69-A132 HydrophobicContact CZ-CB 3.69Å; F69-T134 HydrophobicContact CZ-CG2 4.31Å
70	D	67.9	Low	70.2	Confident	105 Å²	105	133.2 Å²	133.2	56%	0.561	68%	0.677	S	S	*	*			trans	-65	109.1	168.9	178.2	4.3	0	0	0	107.3	N72 I73	D70-N72 PolarHBondContact O-N 3.23Å; D70-N72 WeakPolarHBondContact OD1-CA 3.06Å; D70-N72 PolarHBondContact OD1-N 2.68Å; D70-I73 HydrophobicContact CB-CD1 4.2Å; D70-I73 HydrophobicContact CB-CG1 3.75Å; D70-I73 WeakPolarHBondContact O-CG1 3.32Å
71	E	71.4	Confident	72.8	Confident	170 Å²	170	133 Å²	133	79%	0.794	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-16.3	179.5	-63.5	-175.7	166.9	0	0	111.8	F69	F69-E71 PolarHBondContact O-N 2.87Å; F69-E71 VanDerWaalsContact O-N 3.08Å
72	N	82.2	Confident	75.4	Confident	141 Å²	141	135.2 Å²	135.2	75%	0.754	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	36.4	-174.8	-64.9	-46.4	0	0	0	112.6	D70 A74	D70-N72 PolarHBondContact O-N 3.23Å; D70-N72 WeakPolarHBondContact OD1-CA 3.06Å; D70-N72 PolarHBondContact OD1-N 2.68Å; N72-A74 PolarHBondContact O-N 3.49Å
73	I	90.6	Very high	77.9	Confident	109 Å²	109	134.3 Å²	134.3	56%	0.559	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.9	127.6	171.7	-67.9	167	0	0	0	109.5	D70 H75	D70-I73 HydrophobicContact CB-CD1 4.2Å; D70-I73 HydrophobicContact CB-CG1 3.75Å; D70-I73 WeakPolarHBondContact O-CG1 3.32Å; I73-H75 PolarHBondContact O-CD2 3.35Å; I73-H75 PolarHBondContact O-N 2.94Å
74	A	94.2	Very high	80.4	Confident	83 Å²	83	130.2 Å²	130.2	69%	0.686	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-66.5	127.5	176.4	0	0	0	0	0	111.3	N72	N72-A74 PolarHBondContact O-N 3.49Å
75	H	95.4	Very high	82.8	Confident	185 Å²	185	133 Å²	133	86%	0.856	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-83.2	129.3	170.3	-75.8	-139.8	0	0	0	109.7	I73	I73-H75 PolarHBondContact O-CD2 3.35Å; I73-H75 PolarHBondContact O-N 2.94Å
76	I	96.2	Very high	85.3	Confident	147 Å²	147	129.3 Å²	129.3	75%	0.754	66%	0.655	S	S	*	*			trans	-110.8	150.2	178.3	62.1	173.3	0	0	0	110.9	F78	I76-F78 PolarHBondContact O-N 3.26Å
77	P	97.7	Very high	87.7	Confident	99 Å²	99	120.9 Å²	120.9	64%	0.643	63%	0.626	S	S	*	*			trans	-59.5	133.9	174.4	-22.9	33.6	0	0	0	111.9	F79	P77-F79 HydrophobicContact CB-CE2 3.78Å; P77-F79 HydrophobicContact CB-CZ 3.98Å; P77-F79 WeakPolarHBondContact O-CD2 3.12Å
78	F	97.2	Very high	89.7	Confident	185 Å²	185	121 Å²	121	81%	0.811	63%	0.627	S	S	*	*			trans	-87.1	124.1	175.8	174.5	-114.6	0	0	0	110.6	I76 A80	I76-F78 PolarHBondContact O-N 3.26Å; F78-A80 HydrophobicContact CD1-CB 4.43Å; F78-A80 HydrophobicContact CE1-CB 3.59Å; F78-A80 HydrophobicContact CZ-CB 3.69Å
79	F	95.2	Very high	91.8	Very high	178 Å²	178	124.4 Å²	124.4	78%	0.781	63%	0.634	S	S	*	*			trans	-112.4	123	174.5	-62	-83.4	0	0	0	109.4	P77	P77-F79 HydrophobicContact CB-CE2 3.78Å; P77-F79 HydrophobicContact CB-CZ 3.98Å; P77-F79 WeakPolarHBondContact O-CD2 3.12Å
80	A	94.8	Very high	93.6	Very high	70 Å²	70	124.6 Å²	124.6	58%	0.579	64%	0.635	S	S	*	*			trans	-121.5	145.7	177.9	0	0	0	0	0	111	F78	F78-A80 HydrophobicContact CD1-CB 4.43Å; F78-A80 HydrophobicContact CE1-CB 3.59Å; F78-A80 HydrophobicContact CZ-CB 3.69Å
81	E	96.1	Very high	95.1	Very high	143 Å²	143	125 Å²	125	67%	0.668	63%	0.629	S	S	*	*			trans	-69.2	132.3	166.2	-168.3	176.3	-168.8	0	0	109.5	Y83	E81-Y83 VanDerWaalsContact CD-CZ 3.49Å; E81-Y83 VanDerWaalsContact CD-OH 3.26Å; E81-Y83 HydrophobicContact CG-CD1 4.41Å; E81-Y83 HydrophobicContact CG-CE1 3.77Å; E81-Y83 VanDerWaalsContact OE1-CE1 3.24Å; E81-Y83 WeakPolarHBondContact OE1-CE1 3.38Å; E81-Y83 PolarHBondContact OE2-OH 3.31Å
82	R	97.6	Very high	96.4	Very high	236 Å²	236	120.5 Å²	120.5	89%	0.891	62%	0.616	S	S	*	*			trans	-117.2	123.7	175.8	-175.7	176.4	180	177.8	0.5	109.7
83	Y	98	Very high	97.2	Very high	77 Å²	77	118.6 Å²	118.6	30%	0.302	60%	0.602	S	S	.	*			trans	-93.3	160.5	176.1	-51.1	-69.9	0	0	0	111.4	E81 E87	E81-Y83 VanDerWaalsContact CD-CZ 3.49Å; E81-Y83 VanDerWaalsContact CD-OH 3.26Å; E81-Y83 HydrophobicContact CG-CD1 4.41Å; E81-Y83 HydrophobicContact CG-CE1 3.77Å; E81-Y83 VanDerWaalsContact OE1-CE1 3.24Å; E81-Y83 WeakPolarHBondContact OE1-CE1 3.38Å; E81-Y83 PolarHBondContact OE2-OH 3.31Å; Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CG-CG 4.45Å
84	S	98.6	Very high	97.5	Very high	76 Å²	76	118.1 Å²	118.1	53%	0.531	60%	0.598	S	S	.	*			trans	-68.4	156.1	166.7	67.5	0	0	0	0	110.5	A86 E87 M88	S84-A86 VanDerWaalsContact C-N 3.28Å; S84-A86 PolarHBondContact O-N 2.67Å; S84-E87 PolarHBondContact O-N 2.68Å; S84-E87 VanDerWaalsContact O-N 3.07Å; S84-E87 PolarHBondContact OG-N 2.84Å; S84-M88 WeakPolarHBondContact O-CG 3.47Å; S84-M88 PolarHBondContact O-N 3Å
85	E	98.8	Very high	97.8	Very high	160 Å²	160	119.4 Å²	119.4	75%	0.748	59%	0.588	S	S	*	*	H	α-helix	trans	-56.9	-41.4	-179.5	-65.6	-179.9	-178.8	0	0	112.6	E87 M88 I89	E85-E87 VanDerWaalsContact C-N 3.32Å; E85-E87 PolarHBondContact O-N 2.67Å; E85-M88 WeakPolarHBondContact O-CB 3.34Å; E85-M88 PolarHBondContact O-N 2.87Å; E85-I89 WeakPolarHBondContact O-CG1 3.37Å; E85-I89 PolarHBondContact O-N 3.04Å
86	A	98.8	Very high	97.9	Very high	73 Å²	73	117.6 Å²	117.6	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-60.4	-41.7	177.1	0	0	0	0	0	112.1	S84 K90	S84-A86 VanDerWaalsContact C-N 3.28Å; S84-A86 PolarHBondContact O-N 2.67Å; A86-K90 PolarHBondContact O-N 2.8Å; A86-K90 VanDerWaalsContact O-N 3.1Å
87	E	98.6	Very high	98.1	Very high	60 Å²	60	115.5 Å²	115.5	28%	0.28	56%	0.56	S	S	.	*	H	α-helix	trans	-71.6	-36.7	177.4	-175.5	59.6	-159.9	0	0	111.4	Y83 S84 E85 I89 K90 R91	Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; S84-E87 PolarHBondContact O-N 2.68Å; S84-E87 VanDerWaalsContact O-N 3.07Å; S84-E87 PolarHBondContact OG-N 2.84Å; E85-E87 VanDerWaalsContact C-N 3.32Å; E85-E87 PolarHBondContact O-N 2.67Å; E87-I89 PolarHBondContact O-N 2.76Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-R91 HydrophobicContact CG-CG 4.15Å; E87-R91 WeakPolarHBondContact O-CB 3.5Å; E87-R91 VanDerWaalsContact O-CG 3.24Å; E87-R91 WeakPolarHBondContact O-CG 3.17Å; E87-R91 PolarHBondContact O-N 3.24Å; E87-R91 WeakPolarHBondContact OE1-CD 3.47Å; E87-R91 WeakPolarHBondContact OE1-CG 3.16Å
88	M	98.6	Very high	98.1	Very high	104 Å²	104	113 Å²	113	51%	0.512	54%	0.541	S	S	.	.	H	α-helix	trans	-59.5	-45.6	173.6	-67.5	172.8	61.4	0	0	111.9	S84 E85 S92	S84-M88 WeakPolarHBondContact O-CG 3.47Å; S84-M88 PolarHBondContact O-N 3Å; E85-M88 WeakPolarHBondContact O-CB 3.34Å; E85-M88 PolarHBondContact O-N 2.87Å; M88-S92 VanDerWaalsContact O-CB 3.32Å; M88-S92 WeakPolarHBondContact O-CB 3.38Å; M88-S92 PolarHBondContact O-N 2.81Å; M88-S92 PolarHBondContact O-OG 3.04Å
89	I	98.9	Very high	98.2	Very high	113 Å²	113	106.8 Å²	106.8	58%	0.579	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-46.2	177.1	-69.1	166.3	0	0	0	110.4	E85 E87 S92 Q93	E85-I89 WeakPolarHBondContact O-CG1 3.37Å; E85-I89 PolarHBondContact O-N 3.04Å; E87-I89 PolarHBondContact O-N 2.76Å; I89-S92 PolarHBondContact O-OG 2.97Å; I89-Q93 WeakPolarHBondContact O-CB 3.44Å; I89-Q93 PolarHBondContact O-N 3.09Å; I89-Q93 VanDerWaalsContact O-N 3.1Å
90	K	98.8	Very high	98.4	Very high	102 Å²	102	101.5 Å²	101.5	44%	0.443	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-53.3	179.4	-178.1	-174.5	169.8	-163.4	0	111.9	A86 E87 S92 Q93 E94	A86-K90 PolarHBondContact O-N 2.8Å; A86-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 PolarHBondContact O-N 3.41Å; K90-S92 PolarHBondContact O-N 3.45Å; K90-Q93 PolarHBondContact O-N 3.35Å; K90-E94 WeakPolarHBondContact CE-OE1 3.17Å; K90-E94 WeakPolarHBondContact O-CG 3.38Å; K90-E94 PolarHBondContact O-N 2.92Å
91	R	98.6	Very high	98.5	Very high	115 Å²	115	105.4 Å²	105.4	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-44.1	-177.6	-69.1	177.9	70.1	75	-1.9	112	E87 Q93 E94 F95	E87-R91 HydrophobicContact CG-CG 4.15Å; E87-R91 WeakPolarHBondContact O-CB 3.5Å; E87-R91 VanDerWaalsContact O-CG 3.24Å; E87-R91 WeakPolarHBondContact O-CG 3.17Å; E87-R91 PolarHBondContact O-N 3.24Å; E87-R91 WeakPolarHBondContact OE1-CD 3.47Å; E87-R91 WeakPolarHBondContact OE1-CG 3.16Å; R91-Q93 VanDerWaalsContact C-N 3.34Å; R91-Q93 PolarHBondContact O-N 3.39Å; R91-E94 PolarHBondContact O-N 3Å; R91-F95 WeakPolarHBondContact O-CB 3.33Å; R91-F95 PolarHBondContact O-N 3.45Å
92	S	98.8	Very high	98.7	Very high	74 Å²	74	101.8 Å²	101.8	52%	0.517	48%	0.48	S	S	.	.	H	α-helix	trans	-63	-39.7	177.6	59.8	0	0	0	0	112.1	M88 I89 K90 Y96	M88-S92 VanDerWaalsContact O-CB 3.32Å; M88-S92 WeakPolarHBondContact O-CB 3.38Å; M88-S92 PolarHBondContact O-N 2.81Å; M88-S92 PolarHBondContact O-OG 3.04Å; I89-S92 PolarHBondContact O-OG 2.97Å; K90-S92 PolarHBondContact O-N 3.45Å; S92-Y96 WeakPolarHBondContact O-CB 3.43Å; S92-Y96 PolarHBondContact O-N 3.48Å
93	Q	98.8	Very high	98.7	Very high	101 Å²	101	94 Å²	94	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-66.9	-42	175.9	-165.6	-172.2	20.8	0	0	112.4	I89 K90 R91 K97	I89-Q93 WeakPolarHBondContact O-CB 3.44Å; I89-Q93 PolarHBondContact O-N 3.09Å; I89-Q93 VanDerWaalsContact O-N 3.1Å; K90-Q93 PolarHBondContact O-N 3.35Å; R91-Q93 VanDerWaalsContact C-N 3.34Å; R91-Q93 PolarHBondContact O-N 3.39Å; Q93-K97 HydrophobicContact CG-CD 4.42Å; Q93-K97 WeakPolarHBondContact O-CB 3.37Å; Q93-K97 VanDerWaalsContact O-CG 3.28Å; Q93-K97 WeakPolarHBondContact O-CG 3.4Å; Q93-K97 PolarHBondContact O-N 3.04Å
94	E	98.9	Very high	98.7	Very high	99 Å²	99	92.1 Å²	92.1	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-44.3	177.4	-74	175	174.2	0	0	111.6	K90 R91 K97 L98	K90-E94 WeakPolarHBondContact CE-OE1 3.17Å; K90-E94 WeakPolarHBondContact O-CG 3.38Å; K90-E94 PolarHBondContact O-N 2.92Å; R91-E94 PolarHBondContact O-N 3Å; E94-K97 PolarHBondContact O-N 3.02Å; E94-L98 PolarHBondContact O-N 3.35Å
95	F	98.9	Very high	98.7	Very high	110 Å²	110	88.9 Å²	88.9	48%	0.482	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-41.9	177.1	-170.3	-112.7	0	0	0	112	R91 K97 L98 L99	R91-F95 WeakPolarHBondContact O-CB 3.33Å; R91-F95 PolarHBondContact O-N 3.45Å; F95-K97 PolarHBondContact O-N 3.48Å; F95-L98 HydrophobicContact CD2-CD2 4.44Å; F95-L98 WeakPolarHBondContact O-CB 3.45Å; F95-L98 PolarHBondContact O-N 3.24Å; F95-L99 HydrophobicContact CD1-CD1 4.12Å; F95-L99 HydrophobicContact CE1-CD1 3.43Å; F95-L99 VanDerWaalsContact CE1-CD1 3.43Å; F95-L99 HydrophobicContact CE1-CG 4.11Å; F95-L99 HydrophobicContact CE2-CD1 4.34Å; F95-L99 HydrophobicContact CE2-CG 4.28Å; F95-L99 HydrophobicContact CZ-CD1 3.57Å; F95-L99 HydrophobicContact CZ-CD2 4.38Å; F95-L99 HydrophobicContact CZ-CG 3.99Å; F95-L99 PolarHBondContact O-N 2.84Å
96	Y	98.8	Very high	98.7	Very high	148 Å²	148	84.5 Å²	84.5	58%	0.58	40%	0.403	S	S	*	.	H	α-helix	trans	-57	-49.1	171	164.7	-104.1	0	0	0	111.4	S92 L98 L99 N100	S92-Y96 WeakPolarHBondContact O-CB 3.43Å; S92-Y96 PolarHBondContact O-N 3.48Å; Y96-L98 VanDerWaalsContact C-N 3.28Å; Y96-L98 PolarHBondContact O-N 3.46Å; Y96-L99 PolarHBondContact O-N 3.32Å; Y96-N100 HydrophobicContact CE2-CB 4.33Å; Y96-N100 WeakPolarHBondContact O-CB 3.26Å; Y96-N100 PolarHBondContact O-N 2.69Å
97	K	98.8	Very high	98.7	Very high	102 Å²	102	83.8 Å²	83.8	44%	0.443	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-38.6	178.2	-74.8	168.8	-178.7	168.3	0	111.8	Q93 E94 F95 K101	Q93-K97 HydrophobicContact CG-CD 4.42Å; Q93-K97 WeakPolarHBondContact O-CB 3.37Å; Q93-K97 VanDerWaalsContact O-CG 3.28Å; Q93-K97 WeakPolarHBondContact O-CG 3.4Å; Q93-K97 PolarHBondContact O-N 3.04Å; E94-K97 PolarHBondContact O-N 3.02Å; F95-K97 PolarHBondContact O-N 3.48Å; K97-K101 WeakPolarHBondContact O-CG 3.21Å; K97-K101 PolarHBondContact O-N 3.43Å
98	L	98.8	Very high	98.7	Very high	47 Å²	47	81 Å²	81	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-55.6	175.7	177.4	65.9	0	0	0	111.4	E94 F95 Y96 N100 K101 Q231 N232	E94-L98 PolarHBondContact O-N 3.35Å; F95-L98 HydrophobicContact CD2-CD2 4.44Å; F95-L98 WeakPolarHBondContact O-CB 3.45Å; F95-L98 PolarHBondContact O-N 3.24Å; Y96-L98 VanDerWaalsContact C-N 3.28Å; Y96-L98 PolarHBondContact O-N 3.46Å; L98-N100 VanDerWaalsContact C-N 3.27Å; L98-N100 PolarHBondContact O-N 3.3Å; L98-K101 WeakPolarHBondContact O-CB 3.12Å; L98-K101 PolarHBondContact O-N 2.77Å; L98-K101 VanDerWaalsContact O-N 3.14Å; L98-Q231 HydrophobicContact CD1-CG 4.38Å; L98-Q231 HydrophobicContact CG-CG 4.36Å; L98-N232 HydrophobicContact CD2-CB 4.37Å
99	L	98.8	Very high	98.7	Very high	54 Å²	54	77.1 Å²	77.1	28%	0.283	36%	0.359	S	S	.	.	H	α-helix	trans	-68.2	-27.4	-178.5	-67.4	-169.8	0	0	0	112.8	F95 Y96 K101 R102 A228 Q231	F95-L99 HydrophobicContact CD1-CD1 4.12Å; F95-L99 HydrophobicContact CE1-CD1 3.43Å; F95-L99 VanDerWaalsContact CE1-CD1 3.43Å; F95-L99 HydrophobicContact CE1-CG 4.11Å; F95-L99 HydrophobicContact CE2-CD1 4.34Å; F95-L99 HydrophobicContact CE2-CG 4.28Å; F95-L99 HydrophobicContact CZ-CD1 3.57Å; F95-L99 HydrophobicContact CZ-CD2 4.38Å; F95-L99 HydrophobicContact CZ-CG 3.99Å; F95-L99 PolarHBondContact O-N 2.84Å; Y96-L99 PolarHBondContact O-N 3.32Å; L99-K101 PolarHBondContact O-N 2.75Å; L99-R102 WeakPolarHBondContact O-CB 3.18Å; L99-R102 PolarHBondContact O-N 2.66Å; L99-R102 VanDerWaalsContact O-N 3.08Å; L99-A228 HydrophobicContact CD1-CB 4.5Å; L99-A228 HydrophobicContact CD2-CB 3.88Å; L99-Q231 HydrophobicContact CD2-CB 4.34Å; L99-Q231 HydrophobicContact CD2-CG 4.31Å
100	N	98.7	Very high	98.6	Very high	68 Å²	68	77.7 Å²	77.7	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-27.4	175.5	-165.9	39	0	0	0	111.9	Y96 L98 R102 R281	Y96-N100 HydrophobicContact CE2-CB 4.33Å; Y96-N100 WeakPolarHBondContact O-CB 3.26Å; Y96-N100 PolarHBondContact O-N 2.69Å; L98-N100 VanDerWaalsContact C-N 3.27Å; L98-N100 PolarHBondContact O-N 3.3Å; N100-R102 PolarHBondContact O-N 3.16Å; N100-R281 VanDerWaalsContact CA-NH1 3.35Å; N100-R281 PolarHBondContact O-NH1 2.8Å; N100-R281 PolarHBondContact OD1-NH1 3.06Å
101	K	98.6	Very high	98.6	Very high	152 Å²	152	77.8 Å²	77.8	66%	0.661	37%	0.365	S	S	*	.	H	α-helix	trans	-69.3	-20.8	172.9	-68.2	171.6	-177.6	-179.3	0	113.1	K97 L98 L99 R103	K97-K101 WeakPolarHBondContact O-CG 3.21Å; K97-K101 PolarHBondContact O-N 3.43Å; L98-K101 WeakPolarHBondContact O-CB 3.12Å; L98-K101 PolarHBondContact O-N 2.77Å; L98-K101 VanDerWaalsContact O-N 3.14Å; L99-K101 PolarHBondContact O-N 2.75Å; K101-R103 PolarHBondContact O-N 2.85Å
102	R	98.7	Very high	98.6	Very high	66 Å²	66	77.3 Å²	77.3	25%	0.249	38%	0.377	C	S	.	.			trans	-61.8	124.7	179.2	-167.4	-153.7	64.3	74.7	-5.7	110.9	L99 N100 S104 Q231 R281	L99-R102 WeakPolarHBondContact O-CB 3.18Å; L99-R102 PolarHBondContact O-N 2.66Å; L99-R102 VanDerWaalsContact O-N 3.08Å; N100-R102 PolarHBondContact O-N 3.16Å; R102-S104 PolarHBondContact NH1-OG 3Å; R102-Q231 HydrophobicContact CB-CB 4.41Å; R102-Q231 HydrophobicContact CB-CG 4.01Å; R102-Q231 VanDerWaalsContact CB-OE1 3.31Å; R102-Q231 HydrophobicContact CG-CB 4.34Å; R102-Q231 HydrophobicContact CG-CG 4.45Å; R102-R281 PolarHBondContact O-NH2 3.42Å
103	R	98.6	Very high	98.5	Very high	73 Å²	73	74.1 Å²	74.1	28%	0.275	35%	0.354	S	S	.	.			trans	-124.4	153.5	169.1	-57	-58.1	-54.4	-76.7	-6.2	109.2	K101 V105 V276 P277	K101-R103 PolarHBondContact O-N 2.85Å; R103-V105 PolarHBondContact O-N 3.21Å; R103-V276 HydrophobicContact CB-CG1 4Å; R103-V276 HydrophobicContact CG-CG2 4.42Å; R103-V276 VanDerWaalsContact NH1-CG2 3.34Å; R103-P277 PolarHBondContact NH1-O 3.2Å; R103-P277 PolarHBondContact NH2-O 3.08Å
104	S	98.8	Very high	98.5	Very high	37 Å²	37	72.8 Å²	72.8	26%	0.259	35%	0.354	S	S	.	.			trans	-79.8	113.4	171.3	-57.3	0	0	0	0	109	R102 T237	R102-S104 PolarHBondContact NH1-OG 3Å; S104-T237 WeakPolarHBondContact CA-O 3.14Å
105	V	98.6	Very high	98.5	Very high	8 Å²	8	73.5 Å²	73.5	5%	0.048	35%	0.353	C	S	.	.			trans	-102	127.9	-174.5	-179.9	0	0	0	0	109.3	R103 L107 L108 Y236 T237 V238 P270 A274 V276	R103-V105 PolarHBondContact O-N 3.21Å; V105-L107 WeakPolarHBondContact CG1-O 3.38Å; V105-L108 HydrophobicContact CB-CD2 4.31Å; V105-L108 HydrophobicContact CG1-CD2 3.99Å; V105-Y236 HydrophobicContact CG2-CD1 4Å; V105-Y236 HydrophobicContact CG2-CG 4.25Å; V105-T237 PolarHBondContact N-O 2.9Å; V105-V238 WeakPolarHBondContact O-CB 3.43Å; V105-V238 WeakPolarHBondContact O-CG1 3.38Å; V105-P270 HydrophobicContact CG1-CB 4.07Å; V105-A274 HydrophobicContact CG1-CB 4.27Å; V105-V276 HydrophobicContact CG2-CG1 4.4Å
106	R	98.4	Very high	98.5	Very high	68 Å²	68	74.8 Å²	74.8	26%	0.257	36%	0.36	S	S	.	.			trans	-107.8	-8.1	-178.9	-64.7	-179.6	178.2	80.2	-1.6	113.6	T180 Y186 V238	R106-T180 VanDerWaalsContact NE-CG2 3.3Å; R106-Y186 HydrophobicContact CB-CD1 4.33Å; R106-Y186 WeakPolarHBondContact O-CB 3.49Å; R106-Y186 VanDerWaalsContact O-CD1 3.31Å; R106-Y186 WeakPolarHBondContact O-CD1 3.29Å; R106-V238 HydrophobicContact CG-CB 4.17Å; R106-V238 HydrophobicContact CG-CG1 4.13Å; R106-V238 HydrophobicContact CG-CG2 4.12Å
107	L	98.2	Very high	98.5	Very high	58 Å²	58	69.8 Å²	69.8	30%	0.304	35%	0.345	S	S	.	.			trans	-111.8	94.9	175.5	-66.6	176.9	0	0	0	108.1	V105 K271 A274	V105-L107 WeakPolarHBondContact CG1-O 3.38Å; L107-K271 HydrophobicContact CB-CB 4.49Å; L107-K271 PolarHBondContact O-N 2.77Å; L107-A274 HydrophobicContact CB-CB 3.88Å
108	L	98.4	Very high	98.5	Very high	1 Å²	1	65 Å²	65	1%	0.005	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-104.3	145.4	-177.4	-63.7	171.7	0	0	0	110.5	V105 A190 P266 Y269 K271	V105-L108 HydrophobicContact CB-CD2 4.31Å; V105-L108 HydrophobicContact CG1-CD2 3.99Å; L108-A190 HydrophobicContact CB-CB 4.29Å; L108-A190 HydrophobicContact CD1-CB 3.77Å; L108-P266 HydrophobicContact CD1-CB 3.72Å; L108-P266 HydrophobicContact CD1-CG 3.93Å; L108-P266 WeakPolarHBondContact CD1-O 3.46Å; L108-Y269 CarbonylContact C-O 3.57Å; L108-Y269 WeakPolarHBondContact CA-O 3.12Å; L108-K271 WeakPolarHBondContact O-CE 3.23Å; L108-K271 WeakPolarHBondContact O-CG 3.35Å
109	S	98.4	Very high	98.5	Very high	24 Å²	24	65 Å²	65	17%	0.168	33%	0.325	C	S	.	.			trans	-79.6	156.2	172.9	-154.4	0	0	0	0	110.5	E111 P191 Y269	S109-E111 VanDerWaalsContact C-N 3.25Å; S109-P191 WeakPolarHBondContact O-CD 3.46Å; S109-Y269 PolarHBondContact N-O 3.13Å
110	D	97.8	Very high	98.5	Very high	125 Å²	125	65.5 Å²	65.5	67%	0.668	33%	0.327	S	S	*	.			trans	-85.2	5.3	168.7	61.3	-15.8	0	0	0	113.4	A189	D110-A189 WeakPolarHBondContact CA-O 3.19Å
111	E	98.4	Very high	98.5	Very high	104 Å²	104	62.5 Å²	62.5	49%	0.486	31%	0.312	S	S	.	.			trans	-60	128.6	178.2	178.8	178.6	172.6	0	0	109.9	S109 Y269	S109-E111 VanDerWaalsContact C-N 3.25Å; E111-Y269 HydrophobicContact CB-CD2 3.94Å; E111-Y269 HydrophobicContact CG-CD2 3.8Å; E111-Y269 HydrophobicContact CG-CE2 4.01Å
112	P	98	Very high	98.5	Very high	105 Å²	105	56.7 Å²	56.7	68%	0.682	29%	0.288	S	S	*	.			trans	-58.6	140.5	-178.6	-25.9	34.2	0	0	0	113.1
113	V	98.3	Very high	98.5	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.042	31%	0.306	C	S	.	.			trans	-108.5	135.7	171.7	171.8	0	0	0	0	108.5	R115 V117 I118 P191 Y192 L235 Y269	V113-R115 PolarHBondContact O-N 3.41Å; V113-V117 HydrophobicContact CG1-CB 4.45Å; V113-I118 HydrophobicContact CG1-CD1 3.97Å; V113-I118 HydrophobicContact CG1-CG1 4.22Å; V113-P191 HydrophobicContact CB-CG 4.35Å; V113-P191 HydrophobicContact CG2-CG 3.83Å; V113-Y192 HydrophobicContact CB-CD2 4.22Å; V113-Y192 HydrophobicContact CB-CE2 4.07Å; V113-Y192 WeakPolarHBondContact O-CE2 3.42Å; V113-L235 HydrophobicContact CB-CD2 4.49Å; V113-L235 HydrophobicContact CG1-CD1 3.66Å; V113-L235 HydrophobicContact CG1-CD2 3.93Å; V113-L235 HydrophobicContact CG1-CG 4.45Å; V113-L235 HydrophobicContact CG2-CD2 3.66Å; V113-Y269 HydrophobicContact CG2-CD2 4.22Å; V113-Y269 HydrophobicContact CG2-CE2 3.94Å
114	P	98.6	Very high	98.5	Very high	73 Å²	73	61.1 Å²	61.1	47%	0.474	31%	0.311	S	S	.	.			trans	-58.7	128.5	176.7	-23.6	33.3	0	0	0	111.6	E116 V117	P114-E116 PolarHBondContact O-N 2.81Å; P114-V117 HydrophobicContact CB-CG2 4.08Å; P114-V117 HydrophobicContact CG-CG2 4.38Å; P114-V117 WeakPolarHBondContact O-CB 3.46Å; P114-V117 PolarHBondContact O-N 2.84Å
115	R	97.9	Very high	98.5	Very high	114 Å²	114	59.3 Å²	59.3	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-56.3	-37.7	-177.5	176.2	57.6	-166.8	-101.8	-3.3	113	V113 V117 I118 D119	V113-R115 PolarHBondContact O-N 3.41Å; R115-V117 PolarHBondContact O-N 3.47Å; R115-I118 WeakPolarHBondContact O-CA 3.3Å; R115-I118 WeakPolarHBondContact O-CB 3.44Å; R115-I118 PolarHBondContact O-N 3.33Å; R115-D119 IonicContact CZ-OD1 3.31Å; R115-D119 IonicContact NE-OD1 3.65Å; R115-D119 PolarHBondContact NE-OD1 2.89Å; R115-D119 IonicContact NE-OD2 2.76Å; R115-D119 IonicContact NH2-OD1 3.82Å; R115-D119 PolarHBondContact NH2-OD1 3.43Å; R115-D119 PolarHBondContact O-N 2.84Å
116	E	98.7	Very high	98.5	Very high	137 Å²	137	60.1 Å²	60.1	64%	0.64	31%	0.309	S	S	*	.	H	α-helix	trans	-59.4	-33.7	178	-174.8	176.9	-173.3	0	0	112.7	P114 I118 D119 N120	P114-E116 PolarHBondContact O-N 2.81Å; E116-I118 VanDerWaalsContact C-N 3.35Å; E116-D119 PolarHBondContact O-N 3.33Å; E116-N120 WeakPolarHBondContact O-CB 3.37Å; E116-N120 PolarHBondContact O-N 3.35Å; E116-N120 PolarHBondContact O-ND2 3.48Å
117	V	98.8	Very high	98.6	Very high	43 Å²	43	62 Å²	62	26%	0.261	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175	177.7	0	0	0	0	110.2	V113 P114 R115 N120 V121 A233 L235	V113-V117 HydrophobicContact CG1-CB 4.45Å; P114-V117 HydrophobicContact CB-CG2 4.08Å; P114-V117 HydrophobicContact CG-CG2 4.38Å; P114-V117 WeakPolarHBondContact O-CB 3.46Å; P114-V117 PolarHBondContact O-N 2.84Å; R115-V117 PolarHBondContact O-N 3.47Å; V117-N120 PolarHBondContact O-N 2.84Å; V117-V121 WeakPolarHBondContact O-CG1 3.45Å; V117-V121 PolarHBondContact O-N 2.85Å; V117-A233 HydrophobicContact CG1-CB 3.77Å; V117-L235 HydrophobicContact CG1-CD1 3.67Å
118	I	98.8	Very high	98.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-44.8	176.5	-57.3	-58.4	0	0	0	111	V113 R115 E116 N120 V121 I122 V141 Y192 I194 L235 V267	V113-I118 HydrophobicContact CG1-CD1 3.97Å; V113-I118 HydrophobicContact CG1-CG1 4.22Å; R115-I118 WeakPolarHBondContact O-CA 3.3Å; R115-I118 WeakPolarHBondContact O-CB 3.44Å; R115-I118 PolarHBondContact O-N 3.33Å; E116-I118 VanDerWaalsContact C-N 3.35Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 2.87Å; I118-V121 WeakPolarHBondContact O-CG2 3.46Å; I118-V121 PolarHBondContact O-N 2.82Å; I118-I122 HydrophobicContact CG2-CD1 3.9Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.47Å; I118-I122 VanDerWaalsContact O-N 3.12Å; I118-V141 HydrophobicContact CG2-CG1 4.11Å; I118-V141 HydrophobicContact CG2-CG2 4.26Å; I118-Y192 HydrophobicContact CD1-CD2 3.82Å; I118-Y192 HydrophobicContact CD1-CE2 4.35Å; I118-Y192 HydrophobicContact CD1-CG 4.17Å; I118-Y192 HydrophobicContact CG1-CD1 4.36Å; I118-Y192 HydrophobicContact CG1-CD2 3.62Å; I118-Y192 HydrophobicContact CG1-CE1 4.42Å; I118-Y192 HydrophobicContact CG1-CE2 3.7Å; I118-Y192 HydrophobicContact CG1-CG 3.97Å; I118-I194 HydrophobicContact CG2-CD1 4.36Å; I118-L235 HydrophobicContact CD1-CD1 4.14Å; I118-V267 HydrophobicContact CD1-CG1 3.94Å
119	D	98.8	Very high	98.6	Very high	49 Å²	49	63.7 Å²	63.7	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-40.6	178	-64.4	-23.5	0	0	0	111.1	R115 E116 I122 R123	R115-D119 IonicContact CZ-OD1 3.31Å; R115-D119 IonicContact NE-OD1 3.65Å; R115-D119 PolarHBondContact NE-OD1 2.89Å; R115-D119 IonicContact NE-OD2 2.76Å; R115-D119 IonicContact NH2-OD1 3.82Å; R115-D119 PolarHBondContact NH2-OD1 3.43Å; R115-D119 PolarHBondContact O-N 2.84Å; E116-D119 PolarHBondContact O-N 3.33Å; D119-I122 PolarHBondContact O-N 3.26Å; D119-R123 WeakPolarHBondContact O-CB 3.43Å; D119-R123 VanDerWaalsContact O-CG 3.32Å; D119-R123 WeakPolarHBondContact O-CG 3.25Å; D119-R123 PolarHBondContact O-N 3.34Å
120	N	98.9	Very high	98.5	Very high	63 Å²	63	63.6 Å²	63.6	34%	0.337	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-41.5	179.1	-74.5	-22.8	0	0	0	113.1	E116 V117 I118 I122 R123 T124	E116-N120 WeakPolarHBondContact O-CB 3.37Å; E116-N120 PolarHBondContact O-N 3.35Å; E116-N120 PolarHBondContact O-ND2 3.48Å; V117-N120 PolarHBondContact O-N 2.84Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 2.87Å; N120-I122 VanDerWaalsContact C-N 3.31Å; N120-I122 PolarHBondContact O-N 3.47Å; N120-R123 PolarHBondContact O-N 2.98Å; N120-R123 PolarHBondContact OD1-NH1 3.3Å; N120-T124 WeakPolarHBondContact O-CB 3.25Å; N120-T124 PolarHBondContact O-N 3.48Å; N120-T124 PolarHBondContact O-OG1 2.96Å
121	V	98.9	Very high	98.3	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-68.4	-31.9	176.8	-59.8	0	0	0	0	112	V117 I118 T124 A125 L226 A229 L230 A233	V117-V121 WeakPolarHBondContact O-CG1 3.45Å; V117-V121 PolarHBondContact O-N 2.85Å; I118-V121 WeakPolarHBondContact O-CG2 3.46Å; I118-V121 PolarHBondContact O-N 2.82Å; V121-T124 WeakPolarHBondContact O-CB 3.38Å; V121-T124 PolarHBondContact O-N 3.39Å; V121-A125 PolarHBondContact O-N 2.87Å; V121-L226 HydrophobicContact CB-CD1 3.93Å; V121-L226 HydrophobicContact CG2-CD1 3.79Å; V121-L226 WeakPolarHBondContact O-CD1 3.41Å; V121-A229 HydrophobicContact CB-CB 3.8Å; V121-A229 HydrophobicContact CG1-CB 3.81Å; V121-L230 HydrophobicContact CB-CD2 4.47Å; V121-L230 HydrophobicContact CG1-CD2 4.37Å; V121-L230 HydrophobicContact CG2-CD2 3.95Å; V121-L230 HydrophobicContact CG2-CG 4.46Å; V121-A233 HydrophobicContact CG1-CB 4.29Å
122	I	98.9	Very high	98	Very high	30 Å²	30	56.1 Å²	56.1	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-71.9	-43.3	173.9	-69	170	0	0	0	111.2	I118 D119 N120 T124 A125 G126 F139 V141 I194 L226	I118-I122 HydrophobicContact CG2-CD1 3.9Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.47Å; I118-I122 VanDerWaalsContact O-N 3.12Å; D119-I122 PolarHBondContact O-N 3.26Å; N120-I122 VanDerWaalsContact C-N 3.31Å; N120-I122 PolarHBondContact O-N 3.47Å; I122-T124 PolarHBondContact O-N 2.92Å; I122-A125 WeakPolarHBondContact O-CB 3.41Å; I122-A125 PolarHBondContact O-N 3.17Å; I122-A125 VanDerWaalsContact O-N 3.09Å; I122-G126 PolarHBondContact O-N 3.41Å; I122-F139 HydrophobicContact CD1-CB 4.25Å; I122-F139 HydrophobicContact CG1-CB 4.41Å; I122-F139 HydrophobicContact CG2-CB 3.95Å; I122-F139 HydrophobicContact CG2-CD2 3.83Å; I122-F139 HydrophobicContact CG2-CG 3.91Å; I122-V141 HydrophobicContact CD1-CG2 3.29Å; I122-I194 HydrophobicContact CD1-CD1 4.38Å; I122-I194 HydrophobicContact CG1-CD1 4.48Å; I122-L226 HydrophobicContact CG1-CD1 4.45Å
123	R	98.9	Very high	97.9	Very high	170 Å²	170	57.8 Å²	57.8	64%	0.642	32%	0.315	S	S	*	.	H	α-helix	trans	-56.1	-42.3	171.6	-75.7	175.1	-174.8	164	-0.2	111.2	D119 N120 G126 T127	D119-R123 WeakPolarHBondContact O-CB 3.43Å; D119-R123 VanDerWaalsContact O-CG 3.32Å; D119-R123 WeakPolarHBondContact O-CG 3.25Å; D119-R123 PolarHBondContact O-N 3.34Å; N120-R123 PolarHBondContact O-N 2.98Å; N120-R123 PolarHBondContact OD1-NH1 3.3Å; R123-G126 PolarHBondContact O-N 3.2Å; R123-G126 VanDerWaalsContact O-N 3.17Å; R123-T127 WeakPolarHBondContact O-CG2 3.28Å; R123-T127 PolarHBondContact O-N 2.69Å
124	T	98.9	Very high	97.7	Very high	61 Å²	61	58 Å²	58	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-43.6	175.8	-52.3	0	0	0	0	110.9	N120 V121 I122 G126 T127 I225 A229	N120-T124 WeakPolarHBondContact O-CB 3.25Å; N120-T124 PolarHBondContact O-N 3.48Å; N120-T124 PolarHBondContact O-OG1 2.96Å; V121-T124 WeakPolarHBondContact O-CB 3.38Å; V121-T124 PolarHBondContact O-N 3.39Å; I122-T124 PolarHBondContact O-N 2.92Å; T124-G126 VanDerWaalsContact C-N 3.29Å; T124-G126 PolarHBondContact O-N 3.32Å; T124-T127 PolarHBondContact O-N 3.29Å; T124-T127 PolarHBondContact O-OG1 3.44Å; T124-I225 HydrophobicContact CG2-CG2 3.82Å; T124-I225 VanDerWaalsContact O-CG2 3.28Å; T124-I225 WeakPolarHBondContact O-CG2 3.42Å; T124-A229 HydrophobicContact CG2-CB 3.95Å
125	A	98.8	Very high	97.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-36.5	174.3	0	0	0	0	0	112.8	V121 I122 T127 S128 F139 L226	V121-A125 PolarHBondContact O-N 2.87Å; I122-A125 WeakPolarHBondContact O-CB 3.41Å; I122-A125 PolarHBondContact O-N 3.17Å; I122-A125 VanDerWaalsContact O-N 3.09Å; A125-T127 PolarHBondContact O-N 3.3Å; A125-S128 VanDerWaalsContact O-CB 3.24Å; A125-S128 WeakPolarHBondContact O-CB 3.27Å; A125-S128 PolarHBondContact O-N 3.38Å; A125-S128 VanDerWaalsContact O-N 3.12Å; A125-F139 HydrophobicContact CB-CE1 4Å; A125-F139 HydrophobicContact CB-CE2 4.37Å; A125-F139 HydrophobicContact CB-CZ 3.66Å; A125-L226 HydrophobicContact CB-CB 3.78Å; A125-L226 HydrophobicContact CB-CD1 4.24Å; A125-L226 HydrophobicContact CB-CG 4.48Å
126	G	98.7	Very high	97.7	Very high	25 Å²	25	53.2 Å²	53.2	26%	0.258	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-13.7	176.2	0	0	0	0	0	114.5	I122 R123 T124 S128	I122-G126 PolarHBondContact O-N 3.41Å; R123-G126 PolarHBondContact O-N 3.2Å; R123-G126 VanDerWaalsContact O-N 3.17Å; T124-G126 VanDerWaalsContact C-N 3.29Å; T124-G126 PolarHBondContact O-N 3.32Å; G126-S128 PolarHBondContact O-N 3.08Å
127	T	98.8	Very high	97.7	Very high	106 Å²	106	47.9 Å²	47.9	65%	0.65	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	4.7	172.5	79.6	0	0	0	0	113.1	R123 T124 A125	R123-T127 WeakPolarHBondContact O-CG2 3.28Å; R123-T127 PolarHBondContact O-N 2.69Å; T124-T127 PolarHBondContact O-N 3.29Å; T124-T127 PolarHBondContact O-OG1 3.44Å; A125-T127 PolarHBondContact O-N 3.3Å
128	S	98.6	Very high	97.7	Very high	9 Å²	9	47 Å²	47	6%	0.063	26%	0.262	C	S	.	.			trans	-60.6	146.9	178.6	-176.3	0	0	0	0	111.5	A125 G126 W137 I221 A222	A125-S128 VanDerWaalsContact O-CB 3.24Å; A125-S128 WeakPolarHBondContact O-CB 3.27Å; A125-S128 PolarHBondContact O-N 3.38Å; A125-S128 VanDerWaalsContact O-N 3.12Å; G126-S128 PolarHBondContact O-N 3.08Å; S128-W137 VanDerWaalsContact O-CH2 3.27Å; S128-W137 WeakPolarHBondContact O-CH2 3.36Å; S128-I221 WeakPolarHBondContact OG-CG2 3.13Å; S128-A222 PolarHBondContact OG-N 3.44Å
129	P	98.3	Very high	97.7	Very high	87 Å²	87	48.7 Å²	48.7	57%	0.565	27%	0.269	S	S	*	.			trans	-64.6	155.5	164.1	30.4	-36.3	0	0	0	110.6	I221	P129-I221 HydrophobicContact CG-CG2 4.14Å
130	S	97.6	Very high	97.7	Very high	22 Å²	22	47.5 Å²	47.5	15%	0.154	26%	0.264	C	S	.	.			trans	-147.8	149.7	172.9	52.1	0	0	0	0	111.3	A132 H133 T134 E135	S130-A132 PolarHBondContact O-N 3.14Å; S130-H133 PolarHBondContact O-N 3.26Å; S130-T134 PolarHBondContact OG-N 3.36Å; S130-E135 PolarHBondContact OG-N 2.61Å
131	G	93.1	Very high	97.7	Very high	18 Å²	18	46.3 Å²	46.3	19%	0.186	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.8	123	177.4	0	0	0	0	0	111	H133 T134 S218	G131-H133 PolarHBondContact O-N 3.43Å; G131-H133 VanDerWaalsContact O-N 3.16Å; G131-T134 WeakPolarHBondContact O-CB 3.46Å; G131-T134 WeakPolarHBondContact O-CG2 3.4Å; G131-T134 PolarHBondContact O-N 2.74Å; G131-T134 PolarHBondContact O-OG1 2.8Å; G131-S218 PolarHBondContact N-OG 3.39Å
132	A	92.3	Very high	97.7	Very high	54 Å²	54	46.3 Å²	46.3	45%	0.446	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	50.8	33.1	-175.7	0	0	0	0	0	114.4	F69 S130 T134 Y213	F69-A132 HydrophobicContact CE1-CB 4.19Å; F69-A132 WeakPolarHBondContact CE1-O 3.26Å; F69-A132 HydrophobicContact CE2-CB 4.28Å; F69-A132 HydrophobicContact CZ-CB 3.69Å; S130-A132 PolarHBondContact O-N 3.14Å; A132-T134 VanDerWaalsContact C-N 3.27Å; A132-T134 HydrophobicContact CB-CG2 4.35Å; A132-T134 PolarHBondContact O-N 2.91Å; A132-Y213 HydrophobicContact CB-CD2 3.83Å; A132-Y213 HydrophobicContact CB-CE2 4.21Å
133	H	94.8	Very high	97.6	Very high	140 Å²	140	49.9 Å²	49.9	65%	0.648	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	51.1	45.8	-179.4	-168.7	28.5	0	0	0	112.7	S130 G131 E135	S130-H133 PolarHBondContact O-N 3.26Å; G131-H133 PolarHBondContact O-N 3.43Å; G131-H133 VanDerWaalsContact O-N 3.16Å; H133-E135 IonicContact CE1-OE2 3.67Å; H133-E135 PolarHBondContact CE1-OE2 2.88Å; H133-E135 IonicContact ND1-OE2 2.74Å; H133-E135 IonicContact NE2-OE2 3.15Å
134	T	95	Very high	97.6	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	26%	0.264	C	S	.	.			trans	-86.6	-17.3	-177.1	48.5	0	0	0	0	113.8	F69 S130 G131 A132	F69-T134 HydrophobicContact CZ-CG2 4.31Å; S130-T134 PolarHBondContact OG-N 3.36Å; G131-T134 WeakPolarHBondContact O-CB 3.46Å; G131-T134 WeakPolarHBondContact O-CG2 3.4Å; G131-T134 PolarHBondContact O-N 2.74Å; G131-T134 PolarHBondContact O-OG1 2.8Å; A132-T134 VanDerWaalsContact C-N 3.27Å; A132-T134 HydrophobicContact CB-CG2 4.35Å; A132-T134 PolarHBondContact O-N 2.91Å
135	E	97.9	Very high	97.6	Very high	86 Å²	86	46.8 Å²	46.8	40%	0.402	27%	0.273	S	S	.	.			trans	44	53.5	-179.6	-59.5	177.9	84.2	0	0	113.4	S130 H133 W137	S130-E135 PolarHBondContact OG-N 2.61Å; H133-E135 IonicContact CE1-OE2 3.67Å; H133-E135 PolarHBondContact CE1-OE2 2.88Å; H133-E135 IonicContact ND1-OE2 2.74Å; H133-E135 IonicContact NE2-OE2 3.15Å; E135-W137 HydrophobicContact CB-CH2 4.45Å; E135-W137 HydrophobicContact CB-CZ2 3.73Å; E135-W137 HydrophobicContact CG-CH2 4.43Å; E135-W137 HydrophobicContact CG-CZ2 3.79Å; E135-W137 PolarHBondContact O-N 2.92Å
136	P	98	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.298	C	S	.	.			trans	-83.4	43.5	-161.2	36.8	-38.1	0	0	0	112.9	Q199 H212 N215 V219	P136-Q199 HydrophobicContact CB-CB 4.24Å; P136-Q199 PolarHBondContact O-N 2.88Å; P136-H212 HydrophobicContact CB-CB 3.93Å; P136-H212 VanDerWaalsContact CB-ND1 3.26Å; P136-H212 WeakPolarHBondContact CB-ND1 3.25Å; P136-N215 HydrophobicContact CB-CB 3.96Å; P136-N215 HydrophobicContact CG-CB 3.88Å; P136-V219 HydrophobicContact CG-CG2 4.11Å; P136-V219 WeakPolarHBondContact O-CG2 3.35Å
137	W	98.6	Very high	97.6	Very high	25 Å²	25	52 Å²	52	10%	0.095	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144	-175.8	37.8	68.9	0	0	0	112.2	S128 E135 F139 F197 Q199 V219 A222	S128-W137 VanDerWaalsContact O-CH2 3.27Å; S128-W137 WeakPolarHBondContact O-CH2 3.36Å; E135-W137 HydrophobicContact CB-CH2 4.45Å; E135-W137 HydrophobicContact CB-CZ2 3.73Å; E135-W137 HydrophobicContact CG-CH2 4.43Å; E135-W137 HydrophobicContact CG-CZ2 3.79Å; E135-W137 PolarHBondContact O-N 2.92Å; W137-F139 HydrophobicContact CB-CE2 3.87Å; W137-F139 HydrophobicContact CB-CZ 4.18Å; W137-F139 AromaticContact CD1-CE2 3.61Å; W137-F139 AromaticContact CG-CE2 3.75Å; W137-F139 HydrophobicContact CG-CE2 3.75Å; W137-F139 HydrophobicContact CG-CZ 4.23Å; W137-F197 WeakPolarHBondContact CA-O 3.48Å; W137-Q199 PolarHBondContact O-NE2 3Å; W137-V219 HydrophobicContact CB-CG1 4.39Å; W137-V219 HydrophobicContact CB-CG2 4.11Å; W137-V219 HydrophobicContact CE3-CG2 4.21Å; W137-A222 HydrophobicContact CD2-CB 4.32Å; W137-A222 HydrophobicContact CE3-CB 3.83Å; W137-A222 HydrophobicContact CZ3-CB 4.08Å
138	T	98.8	Very high	97.6	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.16	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121	164.1	-58.9	0	0	0	0	109	V140 F197 Q199 E259	T138-V140 HydrophobicContact CG2-CG2 4.02Å; T138-F197 PolarHBondContact N-O 2.77Å; T138-F197 PolarHBondContact O-N 2.9Å; T138-Q199 PolarHBondContact OG1-NE2 3.25Å; T138-E259 WeakPolarHBondContact CB-OE1 3.32Å; T138-E259 PolarHBondContact OG1-OE1 2.73Å
139	F	98.8	Very high	97.6	Very high	34 Å²	34	51.1 Å²	51.1	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	101.3	175.6	-58.7	-88.8	0	0	0	109.2	I122 A125 W137 I194 I196 A222 L226	I122-F139 HydrophobicContact CD1-CB 4.25Å; I122-F139 HydrophobicContact CG1-CB 4.41Å; I122-F139 HydrophobicContact CG2-CB 3.95Å; I122-F139 HydrophobicContact CG2-CD2 3.83Å; I122-F139 HydrophobicContact CG2-CG 3.91Å; A125-F139 HydrophobicContact CB-CE1 4Å; A125-F139 HydrophobicContact CB-CE2 4.37Å; A125-F139 HydrophobicContact CB-CZ 3.66Å; W137-F139 HydrophobicContact CB-CE2 3.87Å; W137-F139 HydrophobicContact CB-CZ 4.18Å; W137-F139 AromaticContact CD1-CE2 3.61Å; W137-F139 AromaticContact CG-CE2 3.75Å; W137-F139 HydrophobicContact CG-CE2 3.75Å; W137-F139 HydrophobicContact CG-CZ 4.23Å; F139-I194 HydrophobicContact CB-CG2 4.36Å; F139-I194 HydrophobicContact CD1-CG2 4.29Å; F139-I196 HydrophobicContact CD1-CB 4.44Å; F139-I196 HydrophobicContact CD1-CG1 3.63Å; F139-I196 HydrophobicContact CD1-CG2 4.16Å; F139-I196 HydrophobicContact CE1-CG1 3.85Å; F139-I196 HydrophobicContact CE1-CG2 3.97Å; F139-A222 HydrophobicContact CZ-CB 4.21Å; F139-L226 HydrophobicContact CD1-CD2 4.19Å; F139-L226 HydrophobicContact CE1-CD2 4.03Å
140	V	98.8	Very high	97.6	Very high	25 Å²	25	51.7 Å²	51.7	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.5	177.8	-176.2	0	0	0	0	109	T138 V142 I194 L195 F197 L253 R255	T138-V140 HydrophobicContact CG2-CG2 4.02Å; V140-V142 HydrophobicContact CG1-CG2 4.2Å; V140-I194 WeakPolarHBondContact O-CA 3.08Å; V140-L195 HydrophobicContact CB-CB 4.29Å; V140-L195 PolarHBondContact N-O 3.18Å; V140-L195 PolarHBondContact O-N 2.93Å; V140-F197 HydrophobicContact CG2-CD2 3.85Å; V140-F197 HydrophobicContact CG2-CE2 4Å; V140-L253 HydrophobicContact CG1-CD1 4.12Å; V140-L253 HydrophobicContact CG1-CD2 4.28Å; V140-R255 HydrophobicContact CG2-CG 4.27Å
141	V	98.8	Very high	97.7	Very high	38 Å²	38	50.7 Å²	50.7	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.9	179	-177.7	0	0	0	0	109.8	I118 I122 Y192 L193	I118-V141 HydrophobicContact CG2-CG1 4.11Å; I118-V141 HydrophobicContact CG2-CG2 4.26Å; I122-V141 HydrophobicContact CD1-CG2 3.29Å; V141-Y192 HydrophobicContact CG1-CD1 3.56Å; V141-Y192 HydrophobicContact CG1-CE1 4.07Å; V141-L193 WeakPolarHBondContact CA-O 3.38Å
142	V	98.8	Very high	97.9	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.2	178.8	-176.4	0	0	0	0	109.5	V140 L147 K148 I151 Y192 L193 L195 L253	V140-V142 HydrophobicContact CG1-CG2 4.2Å; V142-L147 HydrophobicContact CG1-CB 3.95Å; V142-L147 HydrophobicContact CG1-CD2 3.84Å; V142-L147 HydrophobicContact CG1-CG 3.82Å; V142-L147 HydrophobicContact CG2-CD2 4.3Å; V142-K148 HydrophobicContact CG1-CG 3.82Å; V142-I151 HydrophobicContact CB-CD1 4.37Å; V142-I151 HydrophobicContact CG1-CD1 4.13Å; V142-I151 HydrophobicContact CG2-CD1 4.03Å; V142-Y192 WeakPolarHBondContact O-CA 3.32Å; V142-L193 HydrophobicContact CB-CB 4.28Å; V142-L193 PolarHBondContact N-O 3.34Å; V142-L193 PolarHBondContact O-N 2.9Å; V142-L195 HydrophobicContact CG2-CD1 3.79Å; V142-L253 HydrophobicContact CG2-CD2 3.94Å
143	Q	98.2	Very high	98.2	Very high	104 Å²	104	54.4 Å²	54.4	49%	0.486	27%	0.273	S	S	.	.			trans	-117.4	-15.6	173.1	69.9	-177.5	14.7	0	0	112.7	P145 Y192	Q143-P145 WeakPolarHBondContact O-CD 3.37Å; Q143-Y192 HydrophobicContact CB-CD1 3.83Å; Q143-Y192 HydrophobicContact CB-CE1 3.63Å; Q143-Y192 HydrophobicContact CG-CE1 4.4Å; Q143-Y192 PolarHBondContact OE1-OH 2.95Å
144	D	98.4	Very high	98.4	Very high	80 Å²	80	49.3 Å²	49.3	43%	0.428	25%	0.25	S	C	.	.			trans	-65.4	119.2	-179.6	176	-106.9	0	0	0	110.6	V146 L147 K148	D144-V146 VanDerWaalsContact C-N 3.28Å; D144-V146 PolarHBondContact O-N 2.82Å; D144-V146 WeakPolarHBondContact OD1-CB 3.27Å; D144-V146 PolarHBondContact OD1-N 2.84Å; D144-L147 HydrophobicContact CB-CB 4.03Å; D144-L147 PolarHBondContact O-N 3.28Å; D144-L147 VanDerWaalsContact OD1-CB 3.31Å; D144-L147 WeakPolarHBondContact OD1-CB 3.49Å; D144-L147 PolarHBondContact OD1-N 3.47Å; D144-K148 WeakPolarHBondContact O-CG 3.44Å; D144-K148 PolarHBondContact O-N 3.49Å
145	P	98.4	Very high	98.5	Very high	86 Å²	86	49 Å²	49	56%	0.558	25%	0.248	S	C	*	.	H	α-helix	trans	-58.9	-36.4	-176.9	-27	35.5	0	0	0	113.8	Q143 K148 H149	Q143-P145 WeakPolarHBondContact O-CD 3.37Å; P145-K148 PolarHBondContact O-N 3.18Å; P145-H149 WeakPolarHBondContact O-CB 3.41Å; P145-H149 PolarHBondContact O-N 2.93Å
146	V	98.6	Very high	98.5	Very high	88 Å²	88	46.8 Å²	46.8	53%	0.533	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-43.5	-179.9	178.3	0	0	0	0	110.4	D144 H149 K150	D144-V146 VanDerWaalsContact C-N 3.28Å; D144-V146 PolarHBondContact O-N 2.82Å; D144-V146 WeakPolarHBondContact OD1-CB 3.27Å; D144-V146 PolarHBondContact OD1-N 2.84Å; V146-H149 PolarHBondContact O-N 3Å; V146-K150 WeakPolarHBondContact O-CG 3.17Å; V146-K150 PolarHBondContact O-N 3.02Å; V146-K150 VanDerWaalsContact O-N 3.09Å
147	L	98.6	Very high	98.4	Very high	46 Å²	46	52.9 Å²	52.9	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-69.2	-39.2	177.9	-171.3	56.5	0	0	0	112	V142 D144 H149 K150 I151 L252 L253	V142-L147 HydrophobicContact CG1-CB 3.95Å; V142-L147 HydrophobicContact CG1-CD2 3.84Å; V142-L147 HydrophobicContact CG1-CG 3.82Å; V142-L147 HydrophobicContact CG2-CD2 4.3Å; D144-L147 HydrophobicContact CB-CB 4.03Å; D144-L147 PolarHBondContact O-N 3.28Å; D144-L147 VanDerWaalsContact OD1-CB 3.31Å; D144-L147 WeakPolarHBondContact OD1-CB 3.49Å; D144-L147 PolarHBondContact OD1-N 3.47Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 2.91Å; L147-K150 PolarHBondContact O-N 3.18Å; L147-I151 HydrophobicContact CG-CD1 4.39Å; L147-I151 VanDerWaalsContact O-CG1 3.28Å; L147-I151 WeakPolarHBondContact O-CG1 3.24Å; L147-I151 PolarHBondContact O-N 2.91Å; L147-L252 HydrophobicContact CD1-CD1 3.94Å; L147-L252 HydrophobicContact CD1-CD2 4.02Å; L147-L252 HydrophobicContact CD1-CG 3.83Å; L147-L253 HydrophobicContact CD1-CD2 4.28Å; L147-L253 HydrophobicContact CD2-CD2 3.88Å; L147-L253 HydrophobicContact CG-CD2 4.25Å
148	K	98.8	Very high	98.2	Very high	15 Å²	15	52.5 Å²	52.5	7%	0.065	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-42.9	172.1	-73.9	-164	-65.2	161.2	0	111.8	V142 D144 P145 I151 R152 D188 A190 L193	V142-K148 HydrophobicContact CG1-CG 3.82Å; D144-K148 WeakPolarHBondContact O-CG 3.44Å; D144-K148 PolarHBondContact O-N 3.49Å; P145-K148 PolarHBondContact O-N 3.18Å; K148-I151 WeakPolarHBondContact O-CB 3.15Å; K148-I151 PolarHBondContact O-N 2.89Å; K148-R152 PolarHBondContact O-N 3.48Å; K148-D188 PolarHBondContact NZ-O 2.8Å; K148-A190 PolarHBondContact NZ-O 2.95Å; K148-L193 HydrophobicContact CB-CD1 4.14Å; K148-L193 HydrophobicContact CD-CD1 4.24Å; K148-L193 HydrophobicContact CD-CG 3.9Å; K148-L193 HydrophobicContact CG-CD1 3.78Å; K148-L193 HydrophobicContact CG-CG 3.91Å
149	H	98.8	Very high	98	Very high	82 Å²	82	52.2 Å²	52.2	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-44	178	-166.4	65.5	0	0	0	112.4	P145 V146 L147 I151 R152 E153 D188	P145-H149 WeakPolarHBondContact O-CB 3.41Å; P145-H149 PolarHBondContact O-N 2.93Å; V146-H149 PolarHBondContact O-N 3Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 2.91Å; H149-I151 VanDerWaalsContact C-N 3.29Å; H149-I151 PolarHBondContact O-N 3.5Å; H149-R152 WeakPolarHBondContact O-CA 3.34Å; H149-R152 VanDerWaalsContact O-CB 3.3Å; H149-R152 WeakPolarHBondContact O-CB 3.19Å; H149-R152 PolarHBondContact O-N 2.89Å; H149-E153 IonicContact CD2-OE1 2.98Å; H149-E153 IonicContact NE2-OE1 3.33Å; H149-E153 WeakPolarHBondContact O-CG 3.32Å; H149-E153 PolarHBondContact O-N 2.92Å; H149-D188 WeakPolarHBondContact CA-OD1 3.25Å; H149-D188 IonicContact CE1-OD2 2.58Å; H149-D188 IonicContact CG-OD1 2.7Å; H149-D188 PolarHBondContact N-OD1 2.99Å; H149-D188 IonicContact ND1-OD1 3.88Å; H149-D188 PolarHBondContact ND1-OD1 3.29Å; H149-D188 IonicContact ND1-OD2 3.59Å; H149-D188 PolarHBondContact ND1-OD2 3.21Å
150	K	98.7	Very high	97.8	Very high	100 Å²	100	54.1 Å²	54.1	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-38.6	173.9	-70.4	176.9	-179.7	-179.6	0	112.8	V146 L147 R152 I154 L252	V146-K150 WeakPolarHBondContact O-CG 3.17Å; V146-K150 PolarHBondContact O-N 3.02Å; V146-K150 VanDerWaalsContact O-N 3.09Å; L147-K150 PolarHBondContact O-N 3.18Å; K150-R152 VanDerWaalsContact C-N 3.32Å; K150-I154 WeakPolarHBondContact O-CG1 3.23Å; K150-I154 PolarHBondContact O-N 2.95Å; K150-L252 HydrophobicContact CB-CD1 4.29Å; K150-L252 HydrophobicContact CB-CD2 3.91Å; K150-L252 HydrophobicContact CD-CD1 4.1Å
151	I	98.7	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-43.4	173.7	-69.5	164.1	0	0	0	109.9	V142 L147 K148 H149 I154 V155 L193 L195 L249 L252 L253 L264	V142-I151 HydrophobicContact CB-CD1 4.37Å; V142-I151 HydrophobicContact CG1-CD1 4.13Å; V142-I151 HydrophobicContact CG2-CD1 4.03Å; L147-I151 HydrophobicContact CG-CD1 4.39Å; L147-I151 VanDerWaalsContact O-CG1 3.28Å; L147-I151 WeakPolarHBondContact O-CG1 3.24Å; L147-I151 PolarHBondContact O-N 2.91Å; K148-I151 WeakPolarHBondContact O-CB 3.15Å; K148-I151 PolarHBondContact O-N 2.89Å; H149-I151 VanDerWaalsContact C-N 3.29Å; H149-I151 PolarHBondContact O-N 3.5Å; I151-I154 PolarHBondContact O-N 3.24Å; I151-V155 HydrophobicContact CG2-CG2 4.34Å; I151-V155 VanDerWaalsContact O-CG2 3.25Å; I151-V155 WeakPolarHBondContact O-CG2 3.23Å; I151-V155 PolarHBondContact O-N 3.04Å; I151-L193 HydrophobicContact CB-CD1 4.36Å; I151-L193 HydrophobicContact CD1-CD1 4.03Å; I151-L193 HydrophobicContact CG2-CD1 4.05Å; I151-L195 HydrophobicContact CD1-CD1 4.11Å; I151-L249 HydrophobicContact CB-CD2 4.17Å; I151-L249 HydrophobicContact CG1-CD2 3.99Å; I151-L249 HydrophobicContact CG2-CD2 3.88Å; I151-L252 HydrophobicContact CG1-CD2 3.75Å; I151-L253 HydrophobicContact CD1-CD2 4.37Å; I151-L264 HydrophobicContact CG2-CD1 3.88Å
152	R	98.5	Very high	97.1	Very high	43 Å²	43	53.8 Å²	53.8	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-50	177.1	-177.8	-176.1	174.5	-173.4	-5.2	111.9	K148 H149 K150 I154 V155 E156 L187 D188	K148-R152 PolarHBondContact O-N 3.48Å; H149-R152 WeakPolarHBondContact O-CA 3.34Å; H149-R152 VanDerWaalsContact O-CB 3.3Å; H149-R152 WeakPolarHBondContact O-CB 3.19Å; H149-R152 PolarHBondContact O-N 2.89Å; K150-R152 VanDerWaalsContact C-N 3.32Å; R152-I154 VanDerWaalsContact C-N 3.34Å; R152-I154 PolarHBondContact O-N 3.09Å; R152-V155 PolarHBondContact O-N 3.27Å; R152-V155 VanDerWaalsContact O-N 3.1Å; R152-E156 HydrophobicContact CG-CG 3.97Å; R152-E156 IonicContact CZ-OE1 3.61Å; R152-E156 IonicContact NE-OE1 3.06Å; R152-E156 PolarHBondContact NE-OE1 3.23Å; R152-E156 IonicContact NE-OE2 3.75Å; R152-E156 IonicContact NH2-OE1 3.71Å; R152-E156 PolarHBondContact NH2-OE1 3.31Å; R152-E156 IonicContact NH2-OE2 2.73Å; R152-E156 WeakPolarHBondContact O-CG 3.21Å; R152-E156 PolarHBondContact O-N 3.06Å; R152-L187 HydrophobicContact CB-CB 3.8Å; R152-L187 HydrophobicContact CB-CD1 4.12Å; R152-L187 HydrophobicContact CG-CB 4.06Å; R152-L187 HydrophobicContact CG-CD1 4.26Å; R152-D188 WeakPolarHBondContact CD-OD2 3.02Å; R152-D188 IonicContact CZ-OD2 3.49Å; R152-D188 IonicContact NE-OD2 3.83Å; R152-D188 IonicContact NH1-OD2 3.59Å; R152-D188 PolarHBondContact NH1-OD2 3.1Å
153	E	98.6	Very high	96.6	Very high	107 Å²	107	55 Å²	55	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-53.7	-50.1	179	-70.3	175.6	144.9	0	0	111.4	H149 V155 E156 E157	H149-E153 IonicContact CD2-OE1 2.98Å; H149-E153 IonicContact NE2-OE1 3.33Å; H149-E153 WeakPolarHBondContact O-CG 3.32Å; H149-E153 PolarHBondContact O-N 2.92Å; E153-V155 VanDerWaalsContact C-N 3.33Å; E153-V155 PolarHBondContact O-N 2.93Å; E153-E156 PolarHBondContact O-N 3.29Å; E153-E157 WeakPolarHBondContact O-CB 3.33Å; E153-E157 PolarHBondContact O-N 2.94Å
154	I	97.9	Very high	96.2	Very high	33 Å²	33	56.2 Å²	56.2	17%	0.169	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-44.2	177.5	-67.3	167.5	0	0	0	111.4	K150 I151 R152 E158 C245 H248 L249 L252	K150-I154 WeakPolarHBondContact O-CG1 3.23Å; K150-I154 PolarHBondContact O-N 2.95Å; I151-I154 PolarHBondContact O-N 3.24Å; R152-I154 VanDerWaalsContact C-N 3.34Å; R152-I154 PolarHBondContact O-N 3.09Å; I154-E158 WeakPolarHBondContact O-CG 3.17Å; I154-E158 PolarHBondContact O-N 3.33Å; I154-C245 HydrophobicContact CG2-CB 4.25Å; I154-H248 HydrophobicContact CD1-CB 4.32Å; I154-H248 HydrophobicContact CG2-CB 3.73Å; I154-L249 HydrophobicContact CB-CD2 4.29Å; I154-L249 HydrophobicContact CD1-CD2 4.14Å; I154-L249 HydrophobicContact CG2-CD2 4.07Å; I154-L249 HydrophobicContact CG2-CG 4.2Å; I154-L252 HydrophobicContact CD1-CB 4.36Å; I154-L252 HydrophobicContact CD1-CD2 3.72Å
155	V	97.8	Very high	95.7	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-43.2	-177.7	172.4	0	0	0	0	111.4	I151 R152 E153 E159 K184 L187 P242 L249 L264	I151-V155 HydrophobicContact CG2-CG2 4.34Å; I151-V155 VanDerWaalsContact O-CG2 3.25Å; I151-V155 WeakPolarHBondContact O-CG2 3.23Å; I151-V155 PolarHBondContact O-N 3.04Å; R152-V155 PolarHBondContact O-N 3.27Å; R152-V155 VanDerWaalsContact O-N 3.1Å; E153-V155 VanDerWaalsContact C-N 3.33Å; E153-V155 PolarHBondContact O-N 2.93Å; V155-E159 HydrophobicContact CG1-CG 4.1Å; V155-E159 WeakPolarHBondContact O-CB 3.11Å; V155-E159 WeakPolarHBondContact O-CG 3.48Å; V155-E159 PolarHBondContact O-N 2.89Å; V155-K184 HydrophobicContact CG1-CG 3.9Å; V155-L187 HydrophobicContact CB-CD1 3.84Å; V155-L187 HydrophobicContact CG1-CD1 3.94Å; V155-L187 HydrophobicContact CG2-CD1 4.1Å; V155-P242 HydrophobicContact CG1-CB 4.13Å; V155-P242 HydrophobicContact CG2-CB 3.95Å; V155-L249 HydrophobicContact CG2-CD1 4.22Å; V155-L264 HydrophobicContact CG2-CD1 4.34Å
156	E	97.8	Very high	95.2	Very high	41 Å²	41	59.1 Å²	59.1	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-39.5	-179.5	-65	-166.8	163.5	0	0	111.7	R152 E153 E159 E160 W182 I183 K184	R152-E156 HydrophobicContact CG-CG 3.97Å; R152-E156 IonicContact CZ-OE1 3.61Å; R152-E156 IonicContact NE-OE1 3.06Å; R152-E156 PolarHBondContact NE-OE1 3.23Å; R152-E156 IonicContact NE-OE2 3.75Å; R152-E156 IonicContact NH2-OE1 3.71Å; R152-E156 PolarHBondContact NH2-OE1 3.31Å; R152-E156 IonicContact NH2-OE2 2.73Å; R152-E156 WeakPolarHBondContact O-CG 3.21Å; R152-E156 PolarHBondContact O-N 3.06Å; E153-E156 PolarHBondContact O-N 3.29Å; E156-E159 PolarHBondContact O-N 3.34Å; E156-E160 WeakPolarHBondContact O-CB 3.41Å; E156-E160 PolarHBondContact O-N 2.96Å; E156-W182 WeakPolarHBondContact CG-O 3.24Å; E156-I183 WeakPolarHBondContact OE1-CA 3.45Å; E156-K184 HydrophobicContact CG-CB 4.29Å; E156-K184 HydrophobicContact CG-CG 4.22Å; E156-K184 PolarHBondContact OE1-N 2.95Å
157	E	96.7	Very high	94.5	Very high	127 Å²	127	55.9 Å²	55.9	59%	0.593	25%	0.252	S	S	*	.	H	α-helix	trans	-61	-51	176.2	-177.5	175.9	-169.8	0	0	111.6	E153 E160 I161	E153-E157 WeakPolarHBondContact O-CB 3.33Å; E153-E157 PolarHBondContact O-N 2.94Å; E157-E160 PolarHBondContact O-N 3.22Å; E157-I161 WeakPolarHBondContact O-CG1 3.25Å; E157-I161 PolarHBondContact O-N 3.21Å
158	E	94.1	Very high	94	Very high	18 Å²	18	54.5 Å²	54.5	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-38.5	179.2	-69.7	-65.2	169.1	0	0	112	I154 E160 I161 N162 R166 C245 H248	I154-E158 WeakPolarHBondContact O-CG 3.17Å; I154-E158 PolarHBondContact O-N 3.33Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E158-E160 PolarHBondContact O-N 3.48Å; E158-I161 PolarHBondContact O-N 2.82Å; E158-N162 WeakPolarHBondContact O-CB 3.42Å; E158-N162 PolarHBondContact O-N 2.95Å; E158-N162 PolarHBondContact O-ND2 3.09Å; E158-N162 PolarHBondContact O-OD1 3.17Å; E158-R166 IonicContact OE2-CZ 2.8Å; E158-R166 VanDerWaalsContact OE2-CZ 3.26Å; E158-R166 IonicContact OE2-NH1 3Å; E158-R166 PolarHBondContact OE2-NH1 3.37Å; E158-R166 IonicContact OE2-NH2 3.36Å; E158-R166 PolarHBondContact OE2-NH2 3.35Å; E158-C245 WeakPolarHBondContact CB-SG 3.32Å; E158-H248 IonicContact OE1-CE1 3.09Å; E158-H248 PolarHBondContact OE1-CE1 3.15Å; E158-H248 IonicContact OE1-ND1 3.3Å
159	E	93.4	Very high	93.4	Very high	19 Å²	19	61 Å²	61	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-36.6	176	-77.9	-88.7	-125.5	0	0	111.9	V155 E156 I161 N162 Y163 W182 K184	V155-E159 HydrophobicContact CG1-CG 4.1Å; V155-E159 WeakPolarHBondContact O-CB 3.11Å; V155-E159 WeakPolarHBondContact O-CG 3.48Å; V155-E159 PolarHBondContact O-N 2.89Å; E156-E159 PolarHBondContact O-N 3.34Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 3.24Å; E159-N162 PolarHBondContact O-N 3.15Å; E159-N162 VanDerWaalsContact O-N 3.17Å; E159-Y163 VanDerWaalsContact O-CD2 3.26Å; E159-Y163 WeakPolarHBondContact O-CD2 3.43Å; E159-Y163 PolarHBondContact O-N 3.39Å; E159-W182 HydrophobicContact CB-CB 3.78Å; E159-K184 WeakPolarHBondContact OE1-CE 3.39Å; E159-K184 IonicContact OE1-NZ 3.76Å; E159-K184 PolarHBondContact OE1-NZ 3.33Å
160	E	95.3	Very high	92.9	Very high	75 Å²	75	67 Å²	67	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-43.8	174.2	-176.5	176.8	-177.7	0	0	110.9	E156 E157 E158 K164 W182	E156-E160 WeakPolarHBondContact O-CB 3.41Å; E156-E160 PolarHBondContact O-N 2.96Å; E157-E160 PolarHBondContact O-N 3.22Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E158-E160 PolarHBondContact O-N 3.48Å; E160-K164 HydrophobicContact CG-CD 3.97Å; E160-K164 VanDerWaalsContact O-CB 3.32Å; E160-K164 WeakPolarHBondContact O-CB 3.39Å; E160-K164 VanDerWaalsContact O-CG 3.3Å; E160-K164 WeakPolarHBondContact O-CG 3.3Å; E160-K164 PolarHBondContact O-N 3.36Å; E160-K164 WeakPolarHBondContact OE1-CE 3.46Å; E160-K164 IonicContact OE1-NZ 2.59Å; E160-K164 PolarHBondContact OE1-NZ 3.12Å; E160-W182 HydrophobicContact CB-CB 4.14Å; E160-W182 HydrophobicContact CB-CD2 4.41Å; E160-W182 HydrophobicContact CB-CG 3.97Å; E160-W182 HydrophobicContact CG-CD2 4.36Å; E160-W182 HydrophobicContact CG-CG 4.38Å
161	I	92.5	Very high	92.5	Very high	56 Å²	56	66.7 Å²	66.7	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-40.5	175	-59.5	167	0	0	0	110.6	E157 E158 E159 K164 K165 R166	E157-I161 WeakPolarHBondContact O-CG1 3.25Å; E157-I161 PolarHBondContact O-N 3.21Å; E158-I161 PolarHBondContact O-N 2.82Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 3.24Å; I161-K164 PolarHBondContact O-N 2.88Å; I161-K165 WeakPolarHBondContact O-CA 3.28Å; I161-K165 WeakPolarHBondContact O-CB 3.31Å; I161-K165 PolarHBondContact O-N 3.35Å; I161-R166 HydrophobicContact CG2-CG 4.13Å; I161-R166 PolarHBondContact O-N 3.35Å
162	N	89.8	Confident	91.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	31%	0.311	C	S	.	.	I	π-helix	trans	-61.3	-51.1	178.5	-66.7	-23.3	0	0	0	111.4	E158 E159 K164 R166 M167 L243 N244	E158-N162 WeakPolarHBondContact O-CB 3.42Å; E158-N162 PolarHBondContact O-N 2.95Å; E158-N162 PolarHBondContact O-ND2 3.09Å; E158-N162 PolarHBondContact O-OD1 3.17Å; E159-N162 PolarHBondContact O-N 3.15Å; E159-N162 VanDerWaalsContact O-N 3.17Å; N162-K164 VanDerWaalsContact C-N 3.34Å; N162-K164 PolarHBondContact O-N 3.47Å; N162-R166 PolarHBondContact O-N 3.33Å; N162-R166 VanDerWaalsContact O-N 3.08Å; N162-R166 WeakPolarHBondContact OD1-CD 3.34Å; N162-R166 PolarHBondContact OD1-NH1 2.94Å; N162-M167 HydrophobicContact CB-CE 4.17Å; N162-M167 HydrophobicContact CB-CG 4.07Å; N162-M167 HydrophobicContact CB-SD 4.27Å; N162-M167 WeakPolarHBondContact O-CB 3.42Å; N162-M167 PolarHBondContact O-N 2.83Å; N162-L243 PolarHBondContact ND2-O 3.44Å; N162-N244 PolarHBondContact OD1-ND2 3.41Å
163	Y	88.6	Confident	91.5	Very high	32 Å²	32	70.5 Å²	70.5	13%	0.125	33%	0.325	C	S	.	.	I	π-helix	trans	-64.2	-37.2	179.1	-87.5	-102.6	0	0	0	112.7	E159 M167 L175 T180 W182	E159-Y163 VanDerWaalsContact O-CD2 3.26Å; E159-Y163 WeakPolarHBondContact O-CD2 3.43Å; E159-Y163 PolarHBondContact O-N 3.39Å; Y163-M167 HydrophobicContact CD2-SD 4.3Å; Y163-M167 HydrophobicContact CE2-SD 4.33Å; Y163-L175 HydrophobicContact CE1-CD1 4.37Å; Y163-T180 WeakPolarHBondContact CE1-O 3.49Å; Y163-T180 VanDerWaalsContact OH-CB 3.26Å; Y163-T180 WeakPolarHBondContact OH-CB 3.46Å; Y163-T180 PolarHBondContact OH-O 2.99Å; Y163-T180 PolarHBondContact OH-OG1 3.44Å; Y163-W182 HydrophobicContact CD1-CE3 4.48Å; Y163-W182 HydrophobicContact CG-CE3 4.12Å
164	K	90.1	Very high	91.1	Very high	129 Å²	129	69.4 Å²	69.4	56%	0.561	32%	0.323	S	S	*	.	I	π-helix	trans	-83.3	-28.3	-177.1	-70.6	179.6	177.6	178.9	0	113.8	E160 I161 N162	E160-K164 HydrophobicContact CG-CD 3.97Å; E160-K164 VanDerWaalsContact O-CB 3.32Å; E160-K164 WeakPolarHBondContact O-CB 3.39Å; E160-K164 VanDerWaalsContact O-CG 3.3Å; E160-K164 WeakPolarHBondContact O-CG 3.3Å; E160-K164 PolarHBondContact O-N 3.36Å; E160-K164 WeakPolarHBondContact OE1-CE 3.46Å; E160-K164 IonicContact OE1-NZ 2.59Å; E160-K164 PolarHBondContact OE1-NZ 3.12Å; I161-K164 PolarHBondContact O-N 2.88Å; N162-K164 VanDerWaalsContact C-N 3.34Å; N162-K164 PolarHBondContact O-N 3.47Å
165	K	88.4	Confident	90.8	Very high	157 Å²	157	69.2 Å²	69.2	68%	0.683	32%	0.322	S	S	*	.	I	π-helix	trans	-138.2	-44.9	-167.4	-59.9	-177.5	-177.4	175.3	0	114.8	W44 I161	W44-K165 WeakPolarHBondContact CH2-O 3.33Å; W44-K165 WeakPolarHBondContact CZ3-O 3.24Å; I161-K165 WeakPolarHBondContact O-CA 3.28Å; I161-K165 WeakPolarHBondContact O-CB 3.31Å; I161-K165 PolarHBondContact O-N 3.35Å
166	R	87.1	Confident	90.5	Very high	69 Å²	69	75.3 Å²	75.3	26%	0.26	35%	0.348	S	S	.	.	I	π-helix	trans	-97	-14.8	-166.5	-48.2	-173	-167.9	125.1	-12	117	W44 E158 I161 N162 N244	W44-R166 WeakPolarHBondContact CZ3-O 3.49Å; E158-R166 IonicContact OE2-CZ 2.8Å; E158-R166 VanDerWaalsContact OE2-CZ 3.26Å; E158-R166 IonicContact OE2-NH1 3Å; E158-R166 PolarHBondContact OE2-NH1 3.37Å; E158-R166 IonicContact OE2-NH2 3.36Å; E158-R166 PolarHBondContact OE2-NH2 3.35Å; I161-R166 HydrophobicContact CG2-CG 4.13Å; I161-R166 PolarHBondContact O-N 3.35Å; N162-R166 PolarHBondContact O-N 3.33Å; N162-R166 VanDerWaalsContact O-N 3.08Å; N162-R166 WeakPolarHBondContact OD1-CD 3.34Å; N162-R166 PolarHBondContact OD1-NH1 2.94Å; R166-N244 WeakPolarHBondContact CD-ND2 3.49Å; R166-N244 PolarHBondContact NH1-ND2 2.95Å
167	M	84.8	Confident	90.1	Very high	20 Å²	20	81.9 Å²	81.9	10%	0.099	37%	0.371	C	S	.	.	S	Bend	trans	-88.7	-27.9	175.7	-74.8	-178	165	0	0	113	N162 Y163 W171 V172 L175	N162-M167 HydrophobicContact CB-CE 4.17Å; N162-M167 HydrophobicContact CB-CG 4.07Å; N162-M167 HydrophobicContact CB-SD 4.27Å; N162-M167 WeakPolarHBondContact O-CB 3.42Å; N162-M167 PolarHBondContact O-N 2.83Å; Y163-M167 HydrophobicContact CD2-SD 4.3Å; Y163-M167 HydrophobicContact CE2-SD 4.33Å; M167-W171 HydrophobicContact CB-CB 4.09Å; M167-W171 HydrophobicContact CB-CD2 3.97Å; M167-W171 HydrophobicContact CB-CE3 3.85Å; M167-W171 HydrophobicContact CB-CG 4.1Å; M167-W171 HydrophobicContact CE-CD2 4.5Å; M167-W171 HydrophobicContact CE-CH2 4.21Å; M167-W171 HydrophobicContact CE-CZ2 3.87Å; M167-W171 HydrophobicContact CG-CD2 3.83Å; M167-W171 HydrophobicContact CG-CE3 3.69Å; M167-W171 HydrophobicContact CG-CG 4.35Å; M167-W171 HydrophobicContact CG-CH2 4.5Å; M167-W171 HydrophobicContact CG-CZ3 4.05Å; M167-W171 VanDerWaalsContact O-CB 3.25Å; M167-W171 WeakPolarHBondContact O-CB 3.36Å; M167-W171 HydrophobicContact SD-CD2 4.24Å; M167-V172 HydrophobicContact CB-CG2 4.05Å; M167-L175 HydrophobicContact SD-CD1 3.95Å
168	G	87.3	Confident	90	Very high	17 Å²	17	77.7 Å²	77.7	18%	0.175	35%	0.352	C	S	.	.	H	α-helix	trans	73.5	163.8	-177.3	0	0	0	0	0	112.6	W44 R170 W171 V172	W44-G168 VanDerWaalsContact CH2-CA 3.47Å; W44-G168 VanDerWaalsContact CZ3-CA 3.45Å; G168-R170 VanDerWaalsContact C-N 3.29Å; G168-R170 PolarHBondContact O-N 2.82Å; G168-W171 PolarHBondContact O-N 3.28Å; G168-V172 WeakPolarHBondContact O-CG2 3.14Å; G168-V172 PolarHBondContact O-N 2.89Å; G168-V172 VanDerWaalsContact O-N 3.12Å
169	D	86.6	Confident	90	Very high	152 Å²	152	87.7 Å²	87.7	81%	0.813	39%	0.389	S	S	*	.	H	α-helix	trans	-60.7	-37.6	-168.6	-64.8	-27.2	0	0	0	113.4	N173	D169-N173 VanDerWaalsContact O-CB 3.23Å; D169-N173 WeakPolarHBondContact O-CB 3.28Å; D169-N173 PolarHBondContact O-N 2.82Å
170	R	89.1	Confident	90	Very high	208 Å²	208	88.1 Å²	88.1	79%	0.785	39%	0.393	S	S	*	.	H	α-helix	trans	-62.4	-52.4	-178.5	-177.3	178.6	177.9	177.6	1.4	111.3	G168 N173 D174	G168-R170 VanDerWaalsContact C-N 3.29Å; G168-R170 PolarHBondContact O-N 2.82Å; R170-N173 WeakPolarHBondContact O-CB 3.27Å; R170-N173 PolarHBondContact O-N 3.15Å; R170-D174 PolarHBondContact O-N 3.13Å
171	W	88.7	Confident	89.8	Confident	94 Å²	94	87.9 Å²	87.9	36%	0.356	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-44.2	-178.4	-171.2	-4.1	0	0	0	110.5	M167 G168 N173 D174 L175 L243	M167-W171 HydrophobicContact CB-CB 4.09Å; M167-W171 HydrophobicContact CB-CD2 3.97Å; M167-W171 HydrophobicContact CB-CE3 3.85Å; M167-W171 HydrophobicContact CB-CG 4.1Å; M167-W171 HydrophobicContact CE-CD2 4.5Å; M167-W171 HydrophobicContact CE-CH2 4.21Å; M167-W171 HydrophobicContact CE-CZ2 3.87Å; M167-W171 HydrophobicContact CG-CD2 3.83Å; M167-W171 HydrophobicContact CG-CE3 3.69Å; M167-W171 HydrophobicContact CG-CG 4.35Å; M167-W171 HydrophobicContact CG-CH2 4.5Å; M167-W171 HydrophobicContact CG-CZ3 4.05Å; M167-W171 VanDerWaalsContact O-CB 3.25Å; M167-W171 WeakPolarHBondContact O-CB 3.36Å; M167-W171 HydrophobicContact SD-CD2 4.24Å; G168-W171 PolarHBondContact O-N 3.28Å; W171-N173 PolarHBondContact O-N 2.87Å; W171-D174 PolarHBondContact O-N 3.06Å; W171-D174 VanDerWaalsContact O-N 3.11Å; W171-L175 WeakPolarHBondContact O-CG 3.41Å; W171-L175 PolarHBondContact O-N 3.34Å; W171-L175 VanDerWaalsContact O-N 3.11Å; W171-L243 HydrophobicContact CH2-CD2 3.9Å; W171-L243 HydrophobicContact CZ3-CD2 4.05Å
172	V	87.6	Confident	90	Very high	36 Å²	36	89.5 Å²	89.5	22%	0.218	40%	0.397	C	S	.	.	H	α-helix	trans	-56.8	-41.2	175	174.1	0	0	0	0	111.2	M167 G168 L175 K176	M167-V172 HydrophobicContact CB-CG2 4.05Å; G168-V172 WeakPolarHBondContact O-CG2 3.14Å; G168-V172 PolarHBondContact O-N 2.89Å; G168-V172 VanDerWaalsContact O-N 3.12Å; V172-L175 PolarHBondContact O-N 2.77Å; V172-K176 PolarHBondContact O-N 2.83Å
173	N	89.7	Confident	90.3	Very high	87 Å²	87	93.2 Å²	93.2	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-66	-40.9	177.2	-167.5	66.6	0	0	0	112.8	D169 R170 W171 L175 K176	D169-N173 VanDerWaalsContact O-CB 3.23Å; D169-N173 WeakPolarHBondContact O-CB 3.28Å; D169-N173 PolarHBondContact O-N 2.82Å; R170-N173 WeakPolarHBondContact O-CB 3.27Å; R170-N173 PolarHBondContact O-N 3.15Å; W171-N173 PolarHBondContact O-N 2.87Å; N173-L175 PolarHBondContact O-N 3.34Å; N173-K176 WeakPolarHBondContact O-CB 3.48Å; N173-K176 PolarHBondContact O-N 2.89Å; N173-K176 VanDerWaalsContact O-N 3.16Å; N173-K176 WeakPolarHBondContact OD1-CD 3.28Å; N173-K176 WeakPolarHBondContact OD1-CE 3.48Å; N173-K176 PolarHBondContact OD1-NZ 3.01Å
174	D	90.6	Very high	90.8	Very high	84 Å²	84	92.1 Å²	92.1	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-27.1	176.6	-69.9	-22.5	0	0	0	112.5	R170 W171	R170-D174 PolarHBondContact O-N 3.13Å; W171-D174 PolarHBondContact O-N 3.06Å; W171-D174 VanDerWaalsContact O-N 3.11Å
175	L	91.8	Very high	91.1	Very high	28 Å²	28	91.2 Å²	91.2	15%	0.147	41%	0.41	C	S	.	.	H	α-helix	trans	-81.7	-19.6	177.3	-65.5	177	0	0	0	113.9	Y163 M167 W171 V172 N173 R177 L178 R179	Y163-L175 HydrophobicContact CE1-CD1 4.37Å; M167-L175 HydrophobicContact SD-CD1 3.95Å; W171-L175 WeakPolarHBondContact O-CG 3.41Å; W171-L175 PolarHBondContact O-N 3.34Å; W171-L175 VanDerWaalsContact O-N 3.11Å; V172-L175 PolarHBondContact O-N 2.77Å; N173-L175 PolarHBondContact O-N 3.34Å; L175-R177 PolarHBondContact O-N 2.58Å; L175-R177 VanDerWaalsContact O-N 3.13Å; L175-L178 HydrophobicContact CD2-CD1 3.94Å; L175-L178 WeakPolarHBondContact O-CA 3.47Å; L175-L178 WeakPolarHBondContact O-CB 3.33Å; L175-L178 PolarHBondContact O-N 2.83Å; L175-R179 PolarHBondContact O-N 2.91Å
176	K	89.9	Confident	91.6	Very high	133 Å²	133	84.8 Å²	84.8	58%	0.578	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-54	-39	-177.2	-73.2	179.1	-176	164.5	0	113.1	V172 N173 L178 R179	V172-K176 PolarHBondContact O-N 2.83Å; N173-K176 WeakPolarHBondContact O-CB 3.48Å; N173-K176 PolarHBondContact O-N 2.89Å; N173-K176 VanDerWaalsContact O-N 3.16Å; N173-K176 WeakPolarHBondContact OD1-CD 3.28Å; N173-K176 WeakPolarHBondContact OD1-CE 3.48Å; N173-K176 PolarHBondContact OD1-NZ 3.01Å; K176-L178 PolarHBondContact O-N 2.95Å; K176-R179 PolarHBondContact O-N 2.94Å
177	R	91.2	Very high	92.1	Very high	178 Å²	178	81.6 Å²	81.6	67%	0.672	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.7	177.2	69.6	-178.4	176.9	164.3	0.2	113.7	L175	L175-R177 PolarHBondContact O-N 2.58Å; L175-R177 VanDerWaalsContact O-N 3.13Å
178	L	94.2	Very high	92.8	Very high	39 Å²	39	82.8 Å²	82.8	20%	0.204	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-89.3	-11.5	177.7	-53.1	-178.6	0	0	0	112.5	L175 K176 T180 P277 L279	L175-L178 HydrophobicContact CD2-CD1 3.94Å; L175-L178 WeakPolarHBondContact O-CA 3.47Å; L175-L178 WeakPolarHBondContact O-CB 3.33Å; L175-L178 PolarHBondContact O-N 2.83Å; K176-L178 PolarHBondContact O-N 2.95Å; L178-T180 HydrophobicContact CB-CG2 3.99Å; L178-T180 PolarHBondContact O-N 3.21Å; L178-P277 HydrophobicContact CD2-CG 4.17Å; L178-L279 HydrophobicContact CD2-CD1 3.9Å
179	R	93.5	Very high	93.3	Very high	228 Å²	228	83.1 Å²	83.1	86%	0.86	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.8	-176.1	-55.8	-180	-177.6	174.1	-0.7	112.7	L175 K176	L175-R179 PolarHBondContact O-N 2.91Å; K176-R179 PolarHBondContact O-N 2.94Å
180	T	92.6	Very high	93.8	Very high	28 Å²	28	75.9 Å²	75.9	17%	0.172	34%	0.339	C	S	.	.			trans	-85.4	146.5	174.6	50.9	0	0	0	0	110.6	R106 Y163 L178	R106-T180 VanDerWaalsContact NE-CG2 3.3Å; Y163-T180 WeakPolarHBondContact CE1-O 3.49Å; Y163-T180 VanDerWaalsContact OH-CB 3.26Å; Y163-T180 WeakPolarHBondContact OH-CB 3.46Å; Y163-T180 PolarHBondContact OH-O 2.99Å; Y163-T180 PolarHBondContact OH-OG1 3.44Å; L178-T180 HydrophobicContact CB-CG2 3.99Å; L178-T180 PolarHBondContact O-N 3.21Å
181	N	92.8	Very high	94.3	Very high	71 Å²	71	66.9 Å²	66.9	38%	0.38	31%	0.307	S	S	.	.			trans	-136.2	-169.8	170.9	60.4	25.1	0	0	0	108.6	I183 K184	N181-I183 VanDerWaalsContact C-N 3.32Å; N181-I183 WeakPolarHBondContact OD1-CB 3.31Å; N181-I183 PolarHBondContact OD1-N 2.99Å; N181-I183 PolarHBondContact OD1-O 3.2Å; N181-K184 PolarHBondContact O-NZ 2.79Å
182	W	95.7	Very high	94.8	Very high	90 Å²	90	63.2 Å²	63.2	34%	0.341	29%	0.293	S	S	.	.	S	Bend	trans	-76.8	-14.6	178	53.9	89.5	0	0	0	113.9	E156 E159 E160 Y163 K184	E156-W182 WeakPolarHBondContact CG-O 3.24Å; E159-W182 HydrophobicContact CB-CB 3.78Å; E160-W182 HydrophobicContact CB-CB 4.14Å; E160-W182 HydrophobicContact CB-CD2 4.41Å; E160-W182 HydrophobicContact CB-CG 3.97Å; E160-W182 HydrophobicContact CG-CD2 4.36Å; E160-W182 HydrophobicContact CG-CG 4.38Å; Y163-W182 HydrophobicContact CD1-CE3 4.48Å; Y163-W182 HydrophobicContact CG-CE3 4.12Å; W182-K184 WeakPolarHBondContact O-CG 3.44Å
183	I	96.9	Very high	95.3	Very high	77 Å²	77	61.5 Å²	61.5	40%	0.395	28%	0.283	S	S	.	.			trans	-80.1	123	-179.9	-54	175	0	0	0	110	E156 N181 E185	E156-I183 WeakPolarHBondContact OE1-CA 3.45Å; N181-I183 VanDerWaalsContact C-N 3.32Å; N181-I183 WeakPolarHBondContact OD1-CB 3.31Å; N181-I183 PolarHBondContact OD1-N 2.99Å; N181-I183 PolarHBondContact OD1-O 3.2Å; I183-E185 HydrophobicContact CG2-CG 4.03Å
184	K	97.5	Very high	95.7	Very high	10 Å²	10	57.4 Å²	57.4	4%	0.043	26%	0.261	C	S	.	.			trans	-123.8	57	-172.6	-48.8	-46.1	-165.5	179.2	0	111.9	V155 E156 E159 N181 W182 Y186 L187	V155-K184 HydrophobicContact CG1-CG 3.9Å; E156-K184 HydrophobicContact CG-CB 4.29Å; E156-K184 HydrophobicContact CG-CG 4.22Å; E156-K184 PolarHBondContact OE1-N 2.95Å; E159-K184 WeakPolarHBondContact OE1-CE 3.39Å; E159-K184 IonicContact OE1-NZ 3.76Å; E159-K184 PolarHBondContact OE1-NZ 3.33Å; N181-K184 PolarHBondContact O-NZ 2.79Å; W182-K184 WeakPolarHBondContact O-CG 3.44Å; K184-Y186 HydrophobicContact CB-CE1 4.11Å; K184-Y186 HydrophobicContact CB-CE2 4.12Å; K184-Y186 HydrophobicContact CD-CE1 4.1Å; K184-Y186 WeakPolarHBondContact CD-OH 3.49Å; K184-Y186 PolarHBondContact O-N 3.15Å; K184-L187 HydrophobicContact CB-CD1 3.64Å; K184-L187 HydrophobicContact CB-CG 3.86Å; K184-L187 HydrophobicContact CG-CD1 4.23Å; K184-L187 WeakPolarHBondContact O-CB 3.43Å; K184-L187 PolarHBondContact O-N 3.03Å
185	E	97.5	Very high	96.1	Very high	110 Å²	110	53.4 Å²	53.4	51%	0.514	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.4	179.5	-68.1	-179.7	-178.3	0	0	114.2	I183 L187 D188 A189	I183-E185 HydrophobicContact CG2-CG 4.03Å; E185-L187 PolarHBondContact O-N 3.01Å; E185-L187 VanDerWaalsContact O-N 3.12Å; E185-D188 PolarHBondContact O-N 3.27Å; E185-D188 VanDerWaalsContact O-N 3.09Å; E185-A189 PolarHBondContact O-N 3.47Å
186	Y	97.7	Very high	96.5	Very high	22 Å²	22	52 Å²	52	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-18.7	177.5	57.1	-107.1	0	0	0	114	R106 K184 D188 A190 V238 P266	R106-Y186 HydrophobicContact CB-CD1 4.33Å; R106-Y186 WeakPolarHBondContact O-CB 3.49Å; R106-Y186 VanDerWaalsContact O-CD1 3.31Å; R106-Y186 WeakPolarHBondContact O-CD1 3.29Å; K184-Y186 HydrophobicContact CB-CE1 4.11Å; K184-Y186 HydrophobicContact CB-CE2 4.12Å; K184-Y186 HydrophobicContact CD-CE1 4.1Å; K184-Y186 WeakPolarHBondContact CD-OH 3.49Å; K184-Y186 PolarHBondContact O-N 3.15Å; Y186-D188 VanDerWaalsContact C-N 3.34Å; Y186-A190 WeakPolarHBondContact O-CB 3.46Å; Y186-A190 PolarHBondContact O-N 3.43Å; Y186-V238 HydrophobicContact CE2-CG1 4.4Å; Y186-P266 HydrophobicContact CD2-CB 3.85Å; Y186-P266 HydrophobicContact CD2-CG 3.52Å; Y186-P266 HydrophobicContact CE2-CG 3.87Å; Y186-P266 HydrophobicContact CG-CG 4.36Å
187	L	98.5	Very high	96.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-30.7	175.8	-65.5	-179.9	0	0	0	112.1	R152 V155 K184 E185 L193 L264	R152-L187 HydrophobicContact CB-CB 3.8Å; R152-L187 HydrophobicContact CB-CD1 4.12Å; R152-L187 HydrophobicContact CG-CB 4.06Å; R152-L187 HydrophobicContact CG-CD1 4.26Å; V155-L187 HydrophobicContact CB-CD1 3.84Å; V155-L187 HydrophobicContact CG1-CD1 3.94Å; V155-L187 HydrophobicContact CG2-CD1 4.1Å; K184-L187 HydrophobicContact CB-CD1 3.64Å; K184-L187 HydrophobicContact CB-CG 3.86Å; K184-L187 HydrophobicContact CG-CD1 4.23Å; K184-L187 WeakPolarHBondContact O-CB 3.43Å; K184-L187 PolarHBondContact O-N 3.03Å; E185-L187 PolarHBondContact O-N 3.01Å; E185-L187 VanDerWaalsContact O-N 3.12Å; L187-L193 HydrophobicContact CD2-CD1 4.27Å; L187-L193 HydrophobicContact CD2-CD2 3.97Å; L187-L264 HydrophobicContact CD2-CD1 4.19Å; L187-L264 HydrophobicContact CD2-CD2 3.45Å; L187-L264 VanDerWaalsContact CD2-CD2 3.45Å; L187-L264 HydrophobicContact CD2-CG 4.49Å
188	D	98.6	Very high	97.2	Very high	44 Å²	44	37.9 Å²	37.9	24%	0.235	18%	0.176	C	C	.	.	H	α-helix	trans	-85.2	-44.6	171	-75.5	-26.4	0	0	0	111.2	K148 H149 R152 E185 Y186	K148-D188 PolarHBondContact NZ-O 2.8Å; H149-D188 WeakPolarHBondContact CA-OD1 3.25Å; H149-D188 IonicContact CE1-OD2 2.58Å; H149-D188 IonicContact CG-OD1 2.7Å; H149-D188 PolarHBondContact N-OD1 2.99Å; H149-D188 IonicContact ND1-OD1 3.88Å; H149-D188 PolarHBondContact ND1-OD1 3.29Å; H149-D188 IonicContact ND1-OD2 3.59Å; H149-D188 PolarHBondContact ND1-OD2 3.21Å; R152-D188 WeakPolarHBondContact CD-OD2 3.02Å; R152-D188 IonicContact CZ-OD2 3.49Å; R152-D188 IonicContact NE-OD2 3.83Å; R152-D188 IonicContact NH1-OD2 3.59Å; R152-D188 PolarHBondContact NH1-OD2 3.1Å; E185-D188 PolarHBondContact O-N 3.27Å; E185-D188 VanDerWaalsContact O-N 3.09Å; Y186-D188 VanDerWaalsContact C-N 3.34Å
189	A	98.1	Very high	97.4	Very high	24 Å²	24	37.9 Å²	37.9	20%	0.198	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-43	-172.3	0	0	0	0	0	113.2	D110 E185	D110-A189 WeakPolarHBondContact CA-O 3.19Å; E185-A189 PolarHBondContact O-N 3.47Å
190	A	98.5	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-62.7	133.4	-175.3	0	0	0	0	0	111.5	L108 K148 Y186 Y192 L193 P266	L108-A190 HydrophobicContact CB-CB 4.29Å; L108-A190 HydrophobicContact CD1-CB 3.77Å; K148-A190 PolarHBondContact NZ-O 2.95Å; Y186-A190 WeakPolarHBondContact O-CB 3.46Å; Y186-A190 PolarHBondContact O-N 3.43Å; A190-Y192 PolarHBondContact O-N 2.97Å; A190-L193 HydrophobicContact CB-CD2 4.43Å; A190-P266 HydrophobicContact CB-CB 3.8Å
191	P	98.5	Very high	97.5	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.123	15%	0.145	C	C	.	.	S	Bend	trans	-61.7	-29.1	-178.2	23.9	-35.1	0	0	0	112.9	S109 V113 V267	S109-P191 WeakPolarHBondContact O-CD 3.46Å; V113-P191 HydrophobicContact CB-CG 4.35Å; V113-P191 HydrophobicContact CG2-CG 3.83Å; P191-V267 VanDerWaalsContact CD-O 3.23Å; P191-V267 WeakPolarHBondContact CD-O 3.4Å; P191-V267 WeakPolarHBondContact CG-O 3.18Å
192	Y	98.9	Very high	97.5	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.071	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.5	177.1	-68.8	-79.8	0	0	0	111.9	V113 I118 V141 V142 Q143 A190 V267	V113-Y192 HydrophobicContact CB-CD2 4.22Å; V113-Y192 HydrophobicContact CB-CE2 4.07Å; V113-Y192 WeakPolarHBondContact O-CE2 3.42Å; I118-Y192 HydrophobicContact CD1-CD2 3.82Å; I118-Y192 HydrophobicContact CD1-CE2 4.35Å; I118-Y192 HydrophobicContact CD1-CG 4.17Å; I118-Y192 HydrophobicContact CG1-CD1 4.36Å; I118-Y192 HydrophobicContact CG1-CD2 3.62Å; I118-Y192 HydrophobicContact CG1-CE1 4.42Å; I118-Y192 HydrophobicContact CG1-CE2 3.7Å; I118-Y192 HydrophobicContact CG1-CG 3.97Å; V141-Y192 HydrophobicContact CG1-CD1 3.56Å; V141-Y192 HydrophobicContact CG1-CE1 4.07Å; V142-Y192 WeakPolarHBondContact O-CA 3.32Å; Q143-Y192 HydrophobicContact CB-CD1 3.83Å; Q143-Y192 HydrophobicContact CB-CE1 3.63Å; Q143-Y192 HydrophobicContact CG-CE1 4.4Å; Q143-Y192 PolarHBondContact OE1-OH 2.95Å; A190-Y192 PolarHBondContact O-N 2.97Å; Y192-V267 PolarHBondContact N-O 3.41Å; Y192-V267 PolarHBondContact O-N 2.84Å
193	L	98.9	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.9	158.1	-50.2	-178.5	0	0	0	108.5	V141 V142 K148 I151 L187 A190 L195 P266	V141-L193 WeakPolarHBondContact CA-O 3.38Å; V142-L193 HydrophobicContact CB-CB 4.28Å; V142-L193 PolarHBondContact N-O 3.34Å; V142-L193 PolarHBondContact O-N 2.9Å; K148-L193 HydrophobicContact CB-CD1 4.14Å; K148-L193 HydrophobicContact CD-CD1 4.24Å; K148-L193 HydrophobicContact CD-CG 3.9Å; K148-L193 HydrophobicContact CG-CD1 3.78Å; K148-L193 HydrophobicContact CG-CG 3.91Å; I151-L193 HydrophobicContact CB-CD1 4.36Å; I151-L193 HydrophobicContact CD1-CD1 4.03Å; I151-L193 HydrophobicContact CG2-CD1 4.05Å; L187-L193 HydrophobicContact CD2-CD1 4.27Å; L187-L193 HydrophobicContact CD2-CD2 3.97Å; A190-L193 HydrophobicContact CB-CD2 4.43Å; L193-L195 HydrophobicContact CB-CD1 4.12Å; L193-P266 HydrophobicContact CD2-CB 3.75Å
194	I	98.9	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.7	171	-51.3	179.5	0	0	0	107.3	I118 I122 F139 V140 I196 L226 L265 V267	I118-I194 HydrophobicContact CG2-CD1 4.36Å; I122-I194 HydrophobicContact CD1-CD1 4.38Å; I122-I194 HydrophobicContact CG1-CD1 4.48Å; F139-I194 HydrophobicContact CB-CG2 4.36Å; F139-I194 HydrophobicContact CD1-CG2 4.29Å; V140-I194 WeakPolarHBondContact O-CA 3.08Å; I194-I196 HydrophobicContact CG2-CD1 4.31Å; I194-I196 HydrophobicContact CG2-CG1 4.2Å; I194-L226 HydrophobicContact CG2-CD2 4.37Å; I194-L265 HydrophobicContact CB-CB 4.33Å; I194-L265 PolarHBondContact N-O 3.45Å; I194-L265 PolarHBondContact O-N 3.05Å; I194-V267 HydrophobicContact CD1-CG2 3.82Å; I194-V267 HydrophobicContact CG1-CG2 4.06Å
195	L	98.8	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.3	173	-62.1	94.1	0	0	0	108.3	V140 V142 I151 L193 F197 L249 L253 L261 L264	V140-L195 HydrophobicContact CB-CB 4.29Å; V140-L195 PolarHBondContact N-O 3.18Å; V140-L195 PolarHBondContact O-N 2.93Å; V142-L195 HydrophobicContact CG2-CD1 3.79Å; I151-L195 HydrophobicContact CD1-CD1 4.11Å; L193-L195 HydrophobicContact CB-CD1 4.12Å; L195-F197 HydrophobicContact CB-CD2 4.3Å; L195-F197 HydrophobicContact CB-CE2 3.79Å; L195-L249 HydrophobicContact CD2-CD1 4.23Å; L195-L253 HydrophobicContact CB-CD1 4.41Å; L195-L253 HydrophobicContact CD1-CD1 4.04Å; L195-L253 HydrophobicContact CD2-CD1 3.67Å; L195-L253 HydrophobicContact CG-CD1 4.24Å; L195-L261 HydrophobicContact CB-CD1 3.86Å; L195-L261 HydrophobicContact CD2-CD1 4.06Å; L195-L261 HydrophobicContact CG-CD1 4.44Å; L195-L264 HydrophobicContact CD2-CD1 4.03Å; L195-L264 HydrophobicContact CD2-CG 4.28Å; L195-L264 HydrophobicContact CG-CD1 4.34Å; L195-L264 HydrophobicContact CG-CG 4.08Å
196	I	98.8	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.1	179.9	-54.3	104.2	0	0	0	108.6	F139 I194 V219 L226 L262 L263 L265	F139-I196 HydrophobicContact CD1-CB 4.44Å; F139-I196 HydrophobicContact CD1-CG1 3.63Å; F139-I196 HydrophobicContact CD1-CG2 4.16Å; F139-I196 HydrophobicContact CE1-CG1 3.85Å; F139-I196 HydrophobicContact CE1-CG2 3.97Å; I194-I196 HydrophobicContact CG2-CD1 4.31Å; I194-I196 HydrophobicContact CG2-CG1 4.2Å; I196-V219 HydrophobicContact CG2-CG1 3.48Å; I196-V219 VanDerWaalsContact CG2-CG1 3.48Å; I196-L226 HydrophobicContact CD1-CD2 4.23Å; I196-L226 HydrophobicContact CG1-CD2 4.39Å; I196-L262 WeakPolarHBondContact O-CB 3.44Å; I196-L262 PolarHBondContact O-N 3.3Å; I196-L263 HydrophobicContact CD1-CB 3.87Å; I196-L263 PolarHBondContact N-O 2.91Å; I196-L263 PolarHBondContact O-N 3.16Å; I196-L265 HydrophobicContact CD1-CD1 3.68Å; I196-L265 HydrophobicContact CD1-CG 3.65Å
197	F	98.5	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.2	173.8	-74.2	-103.1	0	0	0	110	W137 T138 V140 L195 R250 L253 R255 E259 K260 L261	W137-F197 WeakPolarHBondContact CA-O 3.48Å; T138-F197 PolarHBondContact N-O 2.77Å; T138-F197 PolarHBondContact O-N 2.9Å; V140-F197 HydrophobicContact CG2-CD2 3.85Å; V140-F197 HydrophobicContact CG2-CE2 4Å; L195-F197 HydrophobicContact CB-CD2 4.3Å; L195-F197 HydrophobicContact CB-CE2 3.79Å; F197-R250 HydrophobicContact CE1-CB 3.96Å; F197-R250 HydrophobicContact CE1-CG 4.14Å; F197-L253 HydrophobicContact CE2-CD1 4.09Å; F197-L253 HydrophobicContact CZ-CD1 4.24Å; F197-R255 HydrophobicContact CD2-CG 4.48Å; F197-R255 HydrophobicContact CE1-CB 4.3Å; F197-R255 HydrophobicContact CE1-CG 4.22Å; F197-R255 HydrophobicContact CE2-CG 4.14Å; F197-R255 HydrophobicContact CZ-CG 4.01Å; F197-E259 HydrophobicContact CB-CB 4.05Å; F197-E259 HydrophobicContact CB-CG 4.3Å; F197-E259 HydrophobicContact CD1-CB 3.88Å; F197-E259 HydrophobicContact CG-CB 4.31Å; F197-K260 CarbonylContact C-O 3.51Å; F197-K260 VanDerWaalsContact CA-O 3.25Å; F197-K260 WeakPolarHBondContact CA-O 3.49Å; F197-K260 VanDerWaalsContact CD1-C 3.41Å; F197-L261 HydrophobicContact CD1-CB 4.21Å; F197-L261 VanDerWaalsContact CD1-N 3.3Å; F197-L261 HydrophobicContact CD2-CD1 4.2Å; F197-L261 HydrophobicContact CE1-CB 3.84Å; F197-L261 HydrophobicContact CE2-CD1 3.87Å; F197-L261 HydrophobicContact CZ-CB 4.1Å; F197-L261 HydrophobicContact CZ-CD1 4.03Å
198	K	98.1	Very high	93.9	Very high	14 Å²	14	37.7 Å²	37.7	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.6	163.6	63.6	176.4	178.1	175.9	0	109.6	S52 E216 V219 E259 K260 L262	S52-K198 PolarHBondContact OG-NZ 3.26Å; K198-E216 HydrophobicContact CD-CB 4.03Å; K198-E216 HydrophobicContact CD-CG 4.38Å; K198-E216 IonicContact NZ-OE2 2.73Å; K198-E216 PolarHBondContact NZ-OE2 2.7Å; K198-V219 HydrophobicContact CB-CB 4.25Å; K198-V219 HydrophobicContact CB-CG1 4.39Å; K198-V219 HydrophobicContact CB-CG2 3.8Å; K198-E259 WeakPolarHBondContact O-CA 3.41Å; K198-K260 HydrophobicContact CG-CB 4.14Å; K198-K260 PolarHBondContact N-O 3.24Å; K198-K260 PolarHBondContact O-N 2.72Å; K198-L262 HydrophobicContact CD-CD1 4.44Å
199	Q	97.9	Very high	93.4	Very high	38 Å²	38	42.2 Å²	42.2	18%	0.178	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.9	170.5	-62.4	175.8	12.2	0	0	107.9	P136 W137 T138 Y201 H212 N258 E259	P136-Q199 HydrophobicContact CB-CB 4.24Å; P136-Q199 PolarHBondContact O-N 2.88Å; W137-Q199 PolarHBondContact O-NE2 3Å; T138-Q199 PolarHBondContact OG1-NE2 3.25Å; Q199-Y201 PolarHBondContact O-N 3.12Å; Q199-H212 PolarHBondContact O-ND1 3.47Å; Q199-H212 PolarHBondContact OE1-CE1 3.4Å; Q199-N258 CarbonylContact C-O 3.5Å; Q199-N258 WeakPolarHBondContact CA-O 3.49Å; Q199-E259 HydrophobicContact CG-CG 3.82Å
200	V	95.6	Very high	92.9	Very high	31 Å²	31	43.5 Å²	43.5	19%	0.188	22%	0.222	C	C	.	.	S	Bend	trans	-66.9	-26.8	-178.5	-68.2	0	0	0	0	112.6	N215 N258 K260	V200-N215 PolarHBondContact O-ND2 3.28Å; V200-N258 HydrophobicContact CG2-CB 4.39Å; V200-N258 WeakPolarHBondContact CG2-O 3.41Å; V200-N258 PolarHBondContact N-O 3.47Å; V200-K260 HydrophobicContact CG1-CD 3.86Å; V200-K260 HydrophobicContact CG1-CG 4.01Å
201	Y	93.6	Very high	92.6	Very high	55 Å²	55	47.3 Å²	47.3	22%	0.216	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.8	169	58.8	-94	0	0	0	108.8	Q199 K209 K210 N258	Q199-Y201 PolarHBondContact O-N 3.12Å; Y201-K209 HydrophobicContact CD2-CB 4.43Å; Y201-K209 HydrophobicContact CD2-CD 4.3Å; Y201-K209 HydrophobicContact CD2-CG 3.97Å; Y201-K209 HydrophobicContact CE2-CD 4.44Å; Y201-K209 HydrophobicContact CE2-CG 4.18Å; Y201-K210 CarbonylContact C-O 3.59Å; Y201-K210 WeakPolarHBondContact CA-O 3.45Å; Y201-N258 HydrophobicContact CD1-CB 4.01Å; Y201-N258 HydrophobicContact CD2-CB 3.79Å; Y201-N258 HydrophobicContact CE1-CB 3.63Å; Y201-N258 HydrophobicContact CE2-CB 3.41Å; Y201-N258 VanDerWaalsContact CE2-CB 3.41Å; Y201-N258 HydrophobicContact CG-CB 4.07Å; Y201-N258 PolarHBondContact O-ND2 3Å
202	G	92.1	Very high	92.4	Very high	5 Å²	5	46.9 Å²	46.9	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-177.1	172.2	0	0	0	0	0	112.1	K210 H212	G202-K210 PolarHBondContact N-O 2.98Å; G202-K210 PolarHBondContact O-N 3.46Å; G202-H212 WeakPolarHBondContact CA-NE2 3.35Å; G202-H212 PolarHBondContact N-CE1 3.29Å; G202-H212 VanDerWaalsContact N-CE1 3.3Å; G202-H212 PolarHBondContact N-NE2 2.91Å
203	R	88	Confident	92	Very high	159 Å²	159	50.5 Å²	50.5	60%	0.6	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.9	171.6	-69.3	-175	178.2	-87	1.9	109.9	G207 K208	R203-G207 PolarHBondContact NH1-O 3Å; R203-K208 WeakPolarHBondContact CA-O 3.5Å
204	L	84.2	Confident	91.8	Very high	30 Å²	30	58 Å²	58	16%	0.157	29%	0.285	C	S	.	.			trans	-77.4	162.7	171.1	-66.5	177.2	0	0	0	110.4	N206 G207 K208 K210	L204-N206 VanDerWaalsContact CB-OD1 3.23Å; L204-N206 WeakPolarHBondContact CB-OD1 3.46Å; L204-N206 PolarHBondContact O-N 2.85Å; L204-N206 VanDerWaalsContact O-N 3.13Å; L204-G207 PolarHBondContact O-N 3.32Å; L204-K208 HydrophobicContact CD1-CB 4.42Å; L204-K208 PolarHBondContact N-O 2.87Å; L204-K210 HydrophobicContact CD2-CB 4.15Å; L204-K210 HydrophobicContact CD2-CD 4.09Å; L204-K210 HydrophobicContact CD2-CG 4.29Å; L204-K210 HydrophobicContact CG-CB 4.16Å
205	P	83.3	Confident	91.7	Very high	143 Å²	143	58.8 Å²	58.8	93%	0.929	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	176.7	-27.2	35.7	0	0	0	114.4	G207	P205-G207 PolarHBondContact O-N 3.03Å
206	N	82.9	Confident	91.6	Very high	96 Å²	96	61.2 Å²	61.2	51%	0.513	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	2.7	175.7	66.2	7.3	0	0	0	113.8	L204 K208	L204-N206 VanDerWaalsContact CB-OD1 3.23Å; L204-N206 WeakPolarHBondContact CB-OD1 3.46Å; L204-N206 PolarHBondContact O-N 2.85Å; L204-N206 VanDerWaalsContact O-N 3.13Å; N206-K208 VanDerWaalsContact C-N 3.33Å; N206-K208 PolarHBondContact O-N 2.98Å; N206-K208 WeakPolarHBondContact OD1-CB 3.39Å; N206-K208 PolarHBondContact OD1-N 3.01Å
207	G	84.1	Confident	91.5	Very high	40 Å²	40	65.5 Å²	65.5	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	86.7	-10.9	178.7	0	0	0	0	0	115.6	R203 L204 P205	R203-G207 PolarHBondContact NH1-O 3Å; L204-G207 PolarHBondContact O-N 3.32Å; P205-G207 PolarHBondContact O-N 3.03Å
208	K	85.5	Confident	91.5	Very high	76 Å²	76	65.8 Å²	65.8	33%	0.33	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65.5	154.5	177.2	-65.6	-164.6	-179.9	-159.7	0	111.7	E64 R203 L204 N206	E64-K208 WeakPolarHBondContact OE1-CE 3.4Å; E64-K208 IonicContact OE1-NZ 2.68Å; E64-K208 PolarHBondContact OE1-NZ 3.29Å; R203-K208 WeakPolarHBondContact CA-O 3.5Å; L204-K208 HydrophobicContact CD1-CB 4.42Å; L204-K208 PolarHBondContact N-O 2.87Å; N206-K208 VanDerWaalsContact C-N 3.33Å; N206-K208 PolarHBondContact O-N 2.98Å; N206-K208 WeakPolarHBondContact OD1-CB 3.39Å; N206-K208 PolarHBondContact OD1-N 3.01Å
209	K	88	Confident	91.5	Very high	139 Å²	139	65.1 Å²	65.1	60%	0.604	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.6	177.1	-70.1	-178.9	-177.6	169	0	109.7	Y201	Y201-K209 HydrophobicContact CD2-CB 4.43Å; Y201-K209 HydrophobicContact CD2-CD 4.3Å; Y201-K209 HydrophobicContact CD2-CG 3.97Å; Y201-K209 HydrophobicContact CE2-CD 4.44Å; Y201-K209 HydrophobicContact CE2-CG 4.18Å
210	K	88.6	Confident	91.5	Very high	51 Å²	51	66 Å²	66	22%	0.222	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.2	169.6	-178.4	-179.3	177.2	-177.9	0	108.8	Y201 G202 L204	Y201-K210 CarbonylContact C-O 3.59Å; Y201-K210 WeakPolarHBondContact CA-O 3.45Å; G202-K210 PolarHBondContact N-O 2.98Å; G202-K210 PolarHBondContact O-N 3.46Å; L204-K210 HydrophobicContact CD2-CB 4.15Å; L204-K210 HydrophobicContact CD2-CD 4.09Å; L204-K210 HydrophobicContact CD2-CG 4.29Å; L204-K210 HydrophobicContact CG-CB 4.16Å
211	T	91.9	Very high	91.7	Very high	79 Å²	79	68.1 Å²	68.1	49%	0.485	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.4	178	-57.9	0	0	0	0	111.1	Y213	T211-Y213 HydrophobicContact CG2-CD1 3.85Å; T211-Y213 HydrophobicContact CG2-CD2 4.4Å; T211-Y213 HydrophobicContact CG2-CE1 3.57Å; T211-Y213 HydrophobicContact CG2-CE2 4.14Å; T211-Y213 HydrophobicContact CG2-CG 4.27Å
212	H	93.6	Very high	91.9	Very high	10 Å²	10	65.5 Å²	65.5	5%	0.046	33%	0.331	C	S	.	.			trans	-108.7	93.4	172.2	-68.7	178	0	0	0	110.1	P136 Q199 G202 N215	P136-H212 HydrophobicContact CB-CB 3.93Å; P136-H212 VanDerWaalsContact CB-ND1 3.26Å; P136-H212 WeakPolarHBondContact CB-ND1 3.25Å; Q199-H212 PolarHBondContact O-ND1 3.47Å; Q199-H212 PolarHBondContact OE1-CE1 3.4Å; G202-H212 WeakPolarHBondContact CA-NE2 3.35Å; G202-H212 PolarHBondContact N-CE1 3.29Å; G202-H212 VanDerWaalsContact N-CE1 3.3Å; G202-H212 PolarHBondContact N-NE2 2.91Å; H212-N215 HydrophobicContact CB-CB 3.92Å; H212-N215 PolarHBondContact O-ND2 2.94Å
213	Y	90.9	Very high	92.3	Very high	95 Å²	95	65.4 Å²	65.4	37%	0.373	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	133.2	-179.2	-53.6	-81.9	0	0	0	111.2	A132 T211 N215	A132-Y213 HydrophobicContact CB-CD2 3.83Å; A132-Y213 HydrophobicContact CB-CE2 4.21Å; T211-Y213 HydrophobicContact CG2-CD1 3.85Å; T211-Y213 HydrophobicContact CG2-CD2 4.4Å; T211-Y213 HydrophobicContact CG2-CE1 3.57Å; T211-Y213 HydrophobicContact CG2-CE2 4.14Å; T211-Y213 HydrophobicContact CG2-CG 4.27Å; Y213-N215 PolarHBondContact O-N 3.12Å; Y213-N215 VanDerWaalsContact O-N 3.15Å
214	Y	95.3	Very high	92.8	Very high	156 Å²	156	59.8 Å²	59.8	61%	0.612	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	39.5	178.3	-52.8	-76.4	0	0	0	113	E216 I217 S218	Y214-E216 PolarHBondContact O-N 3.09Å; Y214-I217 HydrophobicContact CD1-CD1 4.09Å; Y214-I217 PolarHBondContact O-N 2.73Å; Y214-S218 WeakPolarHBondContact O-CB 3.37Å; Y214-S218 PolarHBondContact O-N 3.18Å; Y214-S218 PolarHBondContact O-OG 3.23Å
215	N	95.3	Very high	93.5	Very high	18 Å²	18	60.6 Å²	60.6	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-43.9	-173.8	56.5	62.3	0	0	0	112.6	P136 V200 H212 Y213 I217 S218 V219	P136-N215 HydrophobicContact CB-CB 3.96Å; P136-N215 HydrophobicContact CG-CB 3.88Å; V200-N215 PolarHBondContact O-ND2 3.28Å; H212-N215 HydrophobicContact CB-CB 3.92Å; H212-N215 PolarHBondContact O-ND2 2.94Å; Y213-N215 PolarHBondContact O-N 3.12Å; Y213-N215 VanDerWaalsContact O-N 3.15Å; N215-I217 PolarHBondContact O-N 3.39Å; N215-S218 PolarHBondContact O-N 2.91Å; N215-V219 WeakPolarHBondContact O-CB 3.46Å; N215-V219 WeakPolarHBondContact O-CG2 3.22Å; N215-V219 PolarHBondContact O-N 2.91Å
216	E	96.8	Very high	94.2	Very high	51 Å²	51	53.8 Å²	53.8	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-44.2	179.4	-177.6	168.9	128	0	0	112.4	K198 Y214 S220 L262	K198-E216 HydrophobicContact CD-CB 4.03Å; K198-E216 HydrophobicContact CD-CG 4.38Å; K198-E216 IonicContact NZ-OE2 2.73Å; K198-E216 PolarHBondContact NZ-OE2 2.7Å; Y214-E216 PolarHBondContact O-N 3.09Å; E216-S220 VanDerWaalsContact O-CB 3.29Å; E216-S220 WeakPolarHBondContact O-CB 3.44Å; E216-S220 PolarHBondContact O-N 2.8Å; E216-S220 PolarHBondContact O-OG 3.12Å; E216-L262 HydrophobicContact CG-CD1 3.98Å
217	I	97.8	Very high	95	Very high	90 Å²	90	50.6 Å²	50.6	46%	0.462	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-47.9	176.5	-60.9	175.8	0	0	0	109.8	Y214 N215 V219 S220 I221	Y214-I217 HydrophobicContact CD1-CD1 4.09Å; Y214-I217 PolarHBondContact O-N 2.73Å; N215-I217 PolarHBondContact O-N 3.39Å; I217-V219 VanDerWaalsContact C-N 3.34Å; I217-V219 PolarHBondContact O-N 2.93Å; I217-S220 PolarHBondContact O-N 3Å; I217-I221 HydrophobicContact CG2-CD1 4Å; I217-I221 WeakPolarHBondContact O-CG1 3.49Å; I217-I221 PolarHBondContact O-N 3.29Å
218	S	98.1	Very high	95.7	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-46.6	-179.9	-58.3	0	0	0	0	111.5	G131 Y214 N215 I221 A222	G131-S218 PolarHBondContact N-OG 3.39Å; Y214-S218 WeakPolarHBondContact O-CB 3.37Å; Y214-S218 PolarHBondContact O-N 3.18Å; Y214-S218 PolarHBondContact O-OG 3.23Å; N215-S218 PolarHBondContact O-N 2.91Å; S218-I221 PolarHBondContact O-N 2.9Å; S218-A222 PolarHBondContact O-N 3.28Å; S218-A222 VanDerWaalsContact O-N 3.12Å
219	V	98.6	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.5	-34.8	179.3	-178.4	0	0	0	0	111.2	P136 W137 I196 K198 N215 I217 A222 C223 L262	P136-V219 HydrophobicContact CG-CG2 4.11Å; P136-V219 WeakPolarHBondContact O-CG2 3.35Å; W137-V219 HydrophobicContact CB-CG1 4.39Å; W137-V219 HydrophobicContact CB-CG2 4.11Å; W137-V219 HydrophobicContact CE3-CG2 4.21Å; I196-V219 HydrophobicContact CG2-CG1 3.48Å; I196-V219 VanDerWaalsContact CG2-CG1 3.48Å; K198-V219 HydrophobicContact CB-CB 4.25Å; K198-V219 HydrophobicContact CB-CG1 4.39Å; K198-V219 HydrophobicContact CB-CG2 3.8Å; N215-V219 WeakPolarHBondContact O-CB 3.46Å; N215-V219 WeakPolarHBondContact O-CG2 3.22Å; N215-V219 PolarHBondContact O-N 2.91Å; I217-V219 VanDerWaalsContact C-N 3.34Å; I217-V219 PolarHBondContact O-N 2.93Å; V219-A222 WeakPolarHBondContact O-CB 3.48Å; V219-A222 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-N 3.15Å; V219-C223 PolarHBondContact O-SG 2.8Å; V219-L262 HydrophobicContact CB-CD2 3.89Å; V219-L262 HydrophobicContact CG1-CD2 3.54Å
220	S	98.6	Very high	96.9	Very high	55 Å²	55	40.1 Å²	40.1	39%	0.385	21%	0.213	S	C	.	.	H	α-helix	trans	-65.3	-37.5	174.8	-63.1	0	0	0	0	112.5	E216 I217 C223 G224	E216-S220 VanDerWaalsContact O-CB 3.29Å; E216-S220 WeakPolarHBondContact O-CB 3.44Å; E216-S220 PolarHBondContact O-N 2.8Å; E216-S220 PolarHBondContact O-OG 3.12Å; I217-S220 PolarHBondContact O-N 3Å; S220-C223 WeakPolarHBondContact O-CB 3.44Å; S220-C223 PolarHBondContact O-N 2.87Å; S220-G224 PolarHBondContact O-N 2.91Å
221	I	98.8	Very high	97.4	Very high	76 Å²	76	38.3 Å²	38.3	39%	0.39	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-46.1	172.4	-65	165.4	0	0	0	110	S128 P129 I217 S218 C223 G224 I225	S128-I221 WeakPolarHBondContact OG-CG2 3.13Å; P129-I221 HydrophobicContact CG-CG2 4.14Å; I217-I221 HydrophobicContact CG2-CD1 4Å; I217-I221 WeakPolarHBondContact O-CG1 3.49Å; I217-I221 PolarHBondContact O-N 3.29Å; S218-I221 PolarHBondContact O-N 2.9Å; I221-C223 PolarHBondContact O-N 3.42Å; I221-G224 WeakPolarHBondContact O-CA 3.4Å; I221-G224 PolarHBondContact O-N 3.35Å; I221-I225 HydrophobicContact CG2-CD1 4.42Å; I221-I225 PolarHBondContact O-N 3.33Å
222	A	98.8	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-37.8	175.4	0	0	0	0	0	112	S128 W137 F139 S218 V219 I225 L226	S128-A222 PolarHBondContact OG-N 3.44Å; W137-A222 HydrophobicContact CD2-CB 4.32Å; W137-A222 HydrophobicContact CE3-CB 3.83Å; W137-A222 HydrophobicContact CZ3-CB 4.08Å; F139-A222 HydrophobicContact CZ-CB 4.21Å; S218-A222 PolarHBondContact O-N 3.28Å; S218-A222 VanDerWaalsContact O-N 3.12Å; V219-A222 WeakPolarHBondContact O-CB 3.48Å; V219-A222 PolarHBondContact O-N 3.37Å; A222-I225 PolarHBondContact O-N 2.86Å; A222-L226 WeakPolarHBondContact O-CB 3.45Å; A222-L226 PolarHBondContact O-N 2.69Å
223	C	98.8	Very high	97.9	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-37	173.5	-65.6	0	0	0	0	112.6	V219 S220 I221 L226 L227 L263	V219-C223 PolarHBondContact O-N 3.15Å; V219-C223 PolarHBondContact O-SG 2.8Å; S220-C223 WeakPolarHBondContact O-CB 3.44Å; S220-C223 PolarHBondContact O-N 2.87Å; I221-C223 PolarHBondContact O-N 3.42Å; C223-L226 PolarHBondContact O-N 3.03Å; C223-L227 VanDerWaalsContact O-CG 3.24Å; C223-L227 WeakPolarHBondContact O-CG 3.43Å; C223-L227 PolarHBondContact O-N 2.9Å; C223-L263 HydrophobicContact CB-CD1 3.68Å
224	G	98.8	Very high	98.3	Very high	40 Å²	40	38.7 Å²	38.7	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-44.7	172.2	0	0	0	0	0	112.4	S220 I221 L227 A228	S220-G224 PolarHBondContact O-N 2.91Å; I221-G224 WeakPolarHBondContact O-CA 3.4Å; I221-G224 PolarHBondContact O-N 3.35Å; G224-L227 PolarHBondContact O-N 2.66Å; G224-A228 PolarHBondContact O-N 3.28Å; G224-A228 VanDerWaalsContact O-N 3.09Å
225	I	98.9	Very high	98.5	Very high	47 Å²	47	31.4 Å²	31.4	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-43.4	175.5	-63.9	173.2	0	0	0	110.8	T124 I221 A222 L227 A228 A229	T124-I225 HydrophobicContact CG2-CG2 3.82Å; T124-I225 VanDerWaalsContact O-CG2 3.28Å; T124-I225 WeakPolarHBondContact O-CG2 3.42Å; I221-I225 HydrophobicContact CG2-CD1 4.42Å; I221-I225 PolarHBondContact O-N 3.33Å; A222-I225 PolarHBondContact O-N 2.86Å; I225-L227 VanDerWaalsContact C-N 3.34Å; I225-L227 PolarHBondContact O-N 3.39Å; I225-A228 WeakPolarHBondContact O-CB 3.35Å; I225-A228 PolarHBondContact O-N 2.9Å; I225-A228 VanDerWaalsContact O-N 3.17Å; I225-A229 WeakPolarHBondContact O-CB 3.16Å; I225-A229 PolarHBondContact O-N 3.39Å
226	L	98.9	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-45.5	175.4	-177.6	57.1	0	0	0	111.8	V121 I122 A125 F139 I194 I196 A222 C223 A228 A229 L230 L265	V121-L226 HydrophobicContact CB-CD1 3.93Å; V121-L226 HydrophobicContact CG2-CD1 3.79Å; V121-L226 WeakPolarHBondContact O-CD1 3.41Å; I122-L226 HydrophobicContact CG1-CD1 4.45Å; A125-L226 HydrophobicContact CB-CB 3.78Å; A125-L226 HydrophobicContact CB-CD1 4.24Å; A125-L226 HydrophobicContact CB-CG 4.48Å; F139-L226 HydrophobicContact CD1-CD2 4.19Å; F139-L226 HydrophobicContact CE1-CD2 4.03Å; I194-L226 HydrophobicContact CG2-CD2 4.37Å; I196-L226 HydrophobicContact CD1-CD2 4.23Å; I196-L226 HydrophobicContact CG1-CD2 4.39Å; A222-L226 WeakPolarHBondContact O-CB 3.45Å; A222-L226 PolarHBondContact O-N 2.69Å; C223-L226 PolarHBondContact O-N 3.03Å; L226-A228 VanDerWaalsContact C-N 3.32Å; L226-A228 PolarHBondContact O-N 3.44Å; L226-A229 PolarHBondContact O-N 3.1Å; L226-L230 HydrophobicContact CD1-CG 4.46Å; L226-L230 HydrophobicContact CG-CD1 4.3Å; L226-L230 WeakPolarHBondContact O-CG 3.18Å; L226-L230 PolarHBondContact O-N 2.89Å; L226-L265 HydrophobicContact CD2-CD1 3.72Å; L226-L265 HydrophobicContact CG-CD1 4.33Å
227	L	98.9	Very high	98.7	Very high	29 Å²	29	31.7 Å²	31.7	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-37	177.7	-70.8	170.1	0	0	0	112.4	C223 G224 I225 Q231 T237 L265	C223-L227 VanDerWaalsContact O-CG 3.24Å; C223-L227 WeakPolarHBondContact O-CG 3.43Å; C223-L227 PolarHBondContact O-N 2.9Å; G224-L227 PolarHBondContact O-N 2.66Å; I225-L227 VanDerWaalsContact C-N 3.34Å; I225-L227 PolarHBondContact O-N 3.39Å; L227-Q231 PolarHBondContact O-N 2.97Å; L227-Q231 VanDerWaalsContact O-N 3.15Å; L227-T237 HydrophobicContact CD2-CG2 3.5Å; L227-L265 HydrophobicContact CD2-CD1 4.38Å
228	A	98.9	Very high	98.8	Very high	23 Å²	23	27.6 Å²	27.6	19%	0.19	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-43.1	174.1	0	0	0	0	0	111.6	L99 G224 I225 L226 Q231 N232	L99-A228 HydrophobicContact CD1-CB 4.5Å; L99-A228 HydrophobicContact CD2-CB 3.88Å; G224-A228 PolarHBondContact O-N 3.28Å; G224-A228 VanDerWaalsContact O-N 3.09Å; I225-A228 WeakPolarHBondContact O-CB 3.35Å; I225-A228 PolarHBondContact O-N 2.9Å; I225-A228 VanDerWaalsContact O-N 3.17Å; L226-A228 VanDerWaalsContact C-N 3.32Å; L226-A228 PolarHBondContact O-N 3.44Å; A228-Q231 PolarHBondContact O-N 2.84Å; A228-N232 WeakPolarHBondContact O-CB 3.48Å; A228-N232 PolarHBondContact O-N 2.73Å
229	A	98.9	Very high	98.8	Very high	11 Å²	11	30 Å²	30	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-42.1	178.1	0	0	0	0	0	112.1	V121 T124 I225 L226 N232 A233	V121-A229 HydrophobicContact CB-CB 3.8Å; V121-A229 HydrophobicContact CG1-CB 3.81Å; T124-A229 HydrophobicContact CG2-CB 3.95Å; I225-A229 WeakPolarHBondContact O-CB 3.16Å; I225-A229 PolarHBondContact O-N 3.39Å; L226-A229 PolarHBondContact O-N 3.1Å; A229-N232 WeakPolarHBondContact O-CB 3.36Å; A229-N232 PolarHBondContact O-N 2.92Å; A229-A233 WeakPolarHBondContact O-CB 3.37Å; A229-A233 PolarHBondContact O-N 3.35Å
230	L	98.9	Very high	98.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-48.8	173.3	-73.8	170.8	0	0	0	111.7	V121 L226 N232 A233 G234 L235 T237 V267	V121-L230 HydrophobicContact CB-CD2 4.47Å; V121-L230 HydrophobicContact CG1-CD2 4.37Å; V121-L230 HydrophobicContact CG2-CD2 3.95Å; V121-L230 HydrophobicContact CG2-CG 4.46Å; L226-L230 HydrophobicContact CD1-CG 4.46Å; L226-L230 HydrophobicContact CG-CD1 4.3Å; L226-L230 WeakPolarHBondContact O-CG 3.18Å; L226-L230 PolarHBondContact O-N 2.89Å; L230-N232 VanDerWaalsContact C-N 3.28Å; L230-N232 PolarHBondContact O-N 3.3Å; L230-A233 PolarHBondContact O-N 3.47Å; L230-A233 VanDerWaalsContact O-N 3.15Å; L230-G234 PolarHBondContact O-N 3.41Å; L230-L235 CarbonylContact C-O 3.44Å; L230-L235 HydrophobicContact CB-CB 4.49Å; L230-L235 HydrophobicContact CD2-CB 3.96Å; L230-L235 HydrophobicContact CD2-CD1 4.05Å; L230-L235 PolarHBondContact O-N 3.18Å; L230-T237 HydrophobicContact CD1-CG2 3.86Å; L230-V267 HydrophobicContact CD1-CG2 4.12Å; L230-V267 HydrophobicContact CD2-CG1 3.58Å; L230-V267 HydrophobicContact CD2-CG2 4.28Å
231	Q	98.9	Very high	98.3	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-39.5	177.7	179	60.2	44.4	0	0	111.9	L98 L99 R102 L227 A228 G234	L98-Q231 HydrophobicContact CD1-CG 4.38Å; L98-Q231 HydrophobicContact CG-CG 4.36Å; L99-Q231 HydrophobicContact CD2-CB 4.34Å; L99-Q231 HydrophobicContact CD2-CG 4.31Å; R102-Q231 HydrophobicContact CB-CB 4.41Å; R102-Q231 HydrophobicContact CB-CG 4.01Å; R102-Q231 VanDerWaalsContact CB-OE1 3.31Å; R102-Q231 HydrophobicContact CG-CB 4.34Å; R102-Q231 HydrophobicContact CG-CG 4.45Å; L227-Q231 PolarHBondContact O-N 2.97Å; L227-Q231 VanDerWaalsContact O-N 3.15Å; A228-Q231 PolarHBondContact O-N 2.84Å; Q231-G234 PolarHBondContact O-N 3.02Å
232	N	98.9	Very high	97.6	Very high	117 Å²	117	29.5 Å²	29.5	63%	0.626	19%	0.188	S	C	*	.	H	α-helix	trans	-64.4	-39.5	176.3	179.6	74.5	0	0	0	112.2	L98 A228 A229 L230 G234	L98-N232 HydrophobicContact CD2-CB 4.37Å; A228-N232 WeakPolarHBondContact O-CB 3.48Å; A228-N232 PolarHBondContact O-N 2.73Å; A229-N232 WeakPolarHBondContact O-CB 3.36Å; A229-N232 PolarHBondContact O-N 2.92Å; L230-N232 VanDerWaalsContact C-N 3.28Å; L230-N232 PolarHBondContact O-N 3.3Å; N232-G234 PolarHBondContact O-N 2.87Å
233	A	98.8	Very high	96.9	Very high	45 Å²	45	30.1 Å²	30.1	37%	0.372	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.4	178.4	0	0	0	0	0	114.2	V117 V121 A229 L230 L235	V117-A233 HydrophobicContact CG1-CB 3.77Å; V121-A233 HydrophobicContact CG1-CB 4.29Å; A229-A233 WeakPolarHBondContact O-CB 3.37Å; A229-A233 PolarHBondContact O-N 3.35Å; L230-A233 PolarHBondContact O-N 3.47Å; L230-A233 VanDerWaalsContact O-N 3.15Å; A233-L235 HydrophobicContact CB-CG 4.5Å
234	G	98.7	Very high	96.4	Very high	29 Å²	29	31.5 Å²	31.5	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	20.7	-177.2	0	0	0	0	0	114.2	L230 Q231 N232 Y236	L230-G234 PolarHBondContact O-N 3.41Å; Q231-G234 PolarHBondContact O-N 3.02Å; N232-G234 PolarHBondContact O-N 2.87Å; G234-Y236 VanDerWaalsContact O-CE2 3.23Å; G234-Y236 WeakPolarHBondContact O-CE2 3.08Å
235	L	98.8	Very high	96.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	18%	0.178	C	C	.	.			trans	-104.3	153.8	176.9	-62.4	179.4	0	0	0	111.5	V113 V117 I118 L230 A233 V267 Y269	V113-L235 HydrophobicContact CB-CD2 4.49Å; V113-L235 HydrophobicContact CG1-CD1 3.66Å; V113-L235 HydrophobicContact CG1-CD2 3.93Å; V113-L235 HydrophobicContact CG1-CG 4.45Å; V113-L235 HydrophobicContact CG2-CD2 3.66Å; V117-L235 HydrophobicContact CG1-CD1 3.67Å; I118-L235 HydrophobicContact CD1-CD1 4.14Å; L230-L235 CarbonylContact C-O 3.44Å; L230-L235 HydrophobicContact CB-CB 4.49Å; L230-L235 HydrophobicContact CD2-CB 3.96Å; L230-L235 HydrophobicContact CD2-CD1 4.05Å; L230-L235 PolarHBondContact O-N 3.18Å; A233-L235 HydrophobicContact CB-CG 4.5Å; L235-V267 HydrophobicContact CB-CG1 4.25Å; L235-V267 HydrophobicContact CD1-CG1 4.04Å; L235-Y269 HydrophobicContact CD2-CD1 4.19Å; L235-Y269 HydrophobicContact CD2-CE1 3.86Å
236	Y	98.7	Very high	95.7	Very high	68 Å²	68	27.9 Å²	27.9	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.7	-173.6	-57.9	-95.7	0	0	0	111.1	V105 G234 G268 P270	V105-Y236 HydrophobicContact CG2-CD1 4Å; V105-Y236 HydrophobicContact CG2-CG 4.25Å; G234-Y236 VanDerWaalsContact O-CE2 3.23Å; G234-Y236 WeakPolarHBondContact O-CE2 3.08Å; Y236-G268 PolarHBondContact N-O 3.22Å; Y236-G268 PolarHBondContact O-N 2.88Å; Y236-P270 VanDerWaalsContact CD2-CD 3.49Å; Y236-P270 HydrophobicContact CD2-CG 4.12Å; Y236-P270 HydrophobicContact CE2-CG 4.2Å
237	T	98.9	Very high	95.5	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.043	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	172.3	-178.5	-171	0	0	0	0	110.6	S104 V105 L227 L230 L265 P266	S104-T237 WeakPolarHBondContact CA-O 3.14Å; V105-T237 PolarHBondContact N-O 2.9Å; L227-T237 HydrophobicContact CD2-CG2 3.5Å; L230-T237 HydrophobicContact CD1-CG2 3.86Å; T237-L265 WeakPolarHBondContact OG1-CB 3.35Å; T237-P266 VanDerWaalsContact CA-O 3.25Å; T237-P266 WeakPolarHBondContact CA-O 3.15Å; T237-P266 WeakPolarHBondContact CB-O 3.24Å; T237-P266 PolarHBondContact OG1-O 3.07Å
238	V	98.6	Very high	95.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	21%	0.21	C	C	.	.			trans	-124	125.9	163.2	52	0	0	0	0	108.3	V105 R106 Y186 S240 P266	V105-V238 WeakPolarHBondContact O-CB 3.43Å; V105-V238 WeakPolarHBondContact O-CG1 3.38Å; R106-V238 HydrophobicContact CG-CB 4.17Å; R106-V238 HydrophobicContact CG-CG1 4.13Å; R106-V238 HydrophobicContact CG-CG2 4.12Å; Y186-V238 HydrophobicContact CE2-CG1 4.4Å; V238-S240 PolarHBondContact O-N 3.37Å; V238-P266 HydrophobicContact CG1-CG 3.73Å; V238-P266 WeakPolarHBondContact O-CD 3.27Å
239	T	98.4	Very high	95.3	Very high	55 Å²	55	33.7 Å²	33.7	34%	0.337	20%	0.201	S	C	.	.			trans	-65.7	115.9	169.4	-51.9	0	0	0	0	109.5	L263 L265	T239-L263 HydrophobicContact CG2-CD1 3.79Å; T239-L263 HydrophobicContact CG2-CD2 3.57Å; T239-L263 HydrophobicContact CG2-CG 4.23Å; T239-L265 HydrophobicContact CG2-CD2 4.29Å
240	S	94.6	Very high	95.2	Very high	21 Å²	21	36.8 Å²	36.8	15%	0.147	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-121.7	139.7	176.9	72.5	0	0	0	0	111.4	V238 P242 L264	V238-S240 PolarHBondContact O-N 3.37Å; S240-P242 WeakPolarHBondContact O-CD 3.24Å; S240-L264 PolarHBondContact N-O 2.87Å; S240-L264 PolarHBondContact O-N 3.09Å; S240-L264 PolarHBondContact OG-O 2.92Å
241	T	91.4	Very high	95.2	Very high	93 Å²	93	39.7 Å²	39.7	57%	0.571	23%	0.234	S	C	*	.			trans	-116.8	84.7	175.5	48.7	0	0	0	0	106.8	L243 L263	T241-L243 VanDerWaalsContact C-N 3.26Å; T241-L243 PolarHBondContact O-N 3.17Å; T241-L263 HydrophobicContact CG2-CD2 3.56Å
242	P	85.4	Confident	95.1	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.052	24%	0.243	C	C	.	.			trans	-70.8	87.8	-177	31.1	-35.4	0	0	0	109.2	V155 S240 N244 C245 L249 L261 L264	V155-P242 HydrophobicContact CG1-CB 4.13Å; V155-P242 HydrophobicContact CG2-CB 3.95Å; S240-P242 WeakPolarHBondContact O-CD 3.24Å; P242-N244 PolarHBondContact O-N 3.34Å; P242-C245 HydrophobicContact CB-CB 3.88Å; P242-C245 HydrophobicContact CG-CB 4.24Å; P242-C245 VanDerWaalsContact O-CB 3.28Å; P242-C245 WeakPolarHBondContact O-CB 3.32Å; P242-C245 PolarHBondContact O-N 3.4Å; P242-L249 HydrophobicContact CG-CD1 4.14Å; P242-L261 HydrophobicContact CG-CD2 3.77Å; P242-L264 HydrophobicContact CG-CB 4.24Å; P242-L264 HydrophobicContact CG-CD1 4.39Å
243	L	83.4	Confident	95.1	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.068	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	131.1	-173.6	-177.1	67.8	0	0	0	110.2	D46 D48 L49 N162 W171 T241 C245	D46-L243 HydrophobicContact CB-CD1 4.04Å; D46-L243 WeakPolarHBondContact OD2-CD2 3.4Å; D46-L243 WeakPolarHBondContact OD2-CG 3.18Å; D48-L243 HydrophobicContact CB-CD1 3.99Å; L49-L243 HydrophobicContact CD1-CD1 4.38Å; L49-L243 HydrophobicContact CD2-CD1 4.31Å; L49-L243 HydrophobicContact CG-CD1 4.02Å; N162-L243 PolarHBondContact ND2-O 3.44Å; W171-L243 HydrophobicContact CH2-CD2 3.9Å; W171-L243 HydrophobicContact CZ3-CD2 4.05Å; T241-L243 VanDerWaalsContact C-N 3.26Å; T241-L243 PolarHBondContact O-N 3.17Å; L243-C245 PolarHBondContact O-N 2.89Å
244	N	89.1	Confident	95.1	Very high	33 Å²	33	43 Å²	43	18%	0.176	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	0.1	-175.5	-55.3	-59.2	0	0	0	115.7	D46 D48 N162 R166 P242	D46-N244 PolarHBondContact OD2-ND2 3.44Å; D48-N244 VanDerWaalsContact OD2-CA 3.25Å; D48-N244 WeakPolarHBondContact OD2-CA 3.46Å; D48-N244 PolarHBondContact OD2-N 3.12Å; N162-N244 PolarHBondContact OD1-ND2 3.41Å; R166-N244 WeakPolarHBondContact CD-ND2 3.49Å; R166-N244 PolarHBondContact NH1-ND2 2.95Å; P242-N244 PolarHBondContact O-N 3.34Å
245	C	91.7	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.			trans	-84.4	-13.6	175.5	-55.3	0	0	0	0	113.3	I154 E158 P242 L243 H248 L249	I154-C245 HydrophobicContact CG2-CB 4.25Å; E158-C245 WeakPolarHBondContact CB-SG 3.32Å; P242-C245 HydrophobicContact CB-CB 3.88Å; P242-C245 HydrophobicContact CG-CB 4.24Å; P242-C245 VanDerWaalsContact O-CB 3.28Å; P242-C245 WeakPolarHBondContact O-CB 3.32Å; P242-C245 PolarHBondContact O-N 3.4Å; L243-C245 PolarHBondContact O-N 2.89Å; C245-H248 PolarHBondContact O-N 2.67Å; C245-L249 HydrophobicContact CB-CD1 3.63Å; C245-L249 HydrophobicContact CB-CG 4.04Å; C245-L249 WeakPolarHBondContact O-CB 3.38Å; C245-L249 WeakPolarHBondContact O-CG 3.49Å; C245-L249 PolarHBondContact O-N 3.28Å
246	G	91.8	Very high	94.9	Very high	10 Å²	10	47.3 Å²	47.3	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-50.9	-54	-171.4	0	0	0	0	0	114.1	H248 R250	G246-H248 PolarHBondContact O-N 2.82Å; G246-R250 VanDerWaalsContact O-CB 3.24Å; G246-R250 WeakPolarHBondContact O-CB 3.28Å; G246-R250 PolarHBondContact O-N 2.81Å
247	P	93.8	Very high	94.7	Very high	74 Å²	74	47.4 Å²	47.4	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-43.4	179.6	-25.7	35.8	0	0	0	114	R250 A251	P247-R250 PolarHBondContact O-N 2.79Å; P247-A251 WeakPolarHBondContact O-CB 3.43Å; P247-A251 PolarHBondContact O-N 3.32Å
248	H	95.8	Very high	94.5	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.468	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-45.6	179.8	-64.8	130	0	0	0	111.7	I154 E158 C245 G246 A251 L252	I154-H248 HydrophobicContact CD1-CB 4.32Å; I154-H248 HydrophobicContact CG2-CB 3.73Å; E158-H248 IonicContact OE1-CE1 3.09Å; E158-H248 PolarHBondContact OE1-CE1 3.15Å; E158-H248 IonicContact OE1-ND1 3.3Å; C245-H248 PolarHBondContact O-N 2.67Å; G246-H248 PolarHBondContact O-N 2.82Å; H248-A251 PolarHBondContact O-N 3.26Å; H248-L252 WeakPolarHBondContact O-CB 3.26Å; H248-L252 PolarHBondContact O-N 2.63Å
249	L	97.3	Very high	94.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-37.8	178	-66.8	176.3	0	0	0	111.9	I151 I154 V155 L195 P242 C245 L252 L253 L261	I151-L249 HydrophobicContact CB-CD2 4.17Å; I151-L249 HydrophobicContact CG1-CD2 3.99Å; I151-L249 HydrophobicContact CG2-CD2 3.88Å; I154-L249 HydrophobicContact CB-CD2 4.29Å; I154-L249 HydrophobicContact CD1-CD2 4.14Å; I154-L249 HydrophobicContact CG2-CD2 4.07Å; I154-L249 HydrophobicContact CG2-CG 4.2Å; V155-L249 HydrophobicContact CG2-CD1 4.22Å; L195-L249 HydrophobicContact CD2-CD1 4.23Å; P242-L249 HydrophobicContact CG-CD1 4.14Å; C245-L249 HydrophobicContact CB-CD1 3.63Å; C245-L249 HydrophobicContact CB-CG 4.04Å; C245-L249 WeakPolarHBondContact O-CB 3.38Å; C245-L249 WeakPolarHBondContact O-CG 3.49Å; C245-L249 PolarHBondContact O-N 3.28Å; L249-L252 PolarHBondContact O-N 3.15Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.24Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.47Å; L249-L253 PolarHBondContact O-N 3.3Å; L249-L261 HydrophobicContact CB-CD2 4.33Å; L249-L261 HydrophobicContact CD1-CD2 3.46Å; L249-L261 VanDerWaalsContact CD1-CD2 3.46Å
250	R	97.6	Very high	94.3	Very high	76 Å²	76	50 Å²	50	29%	0.287	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-46.7	172.9	-171.1	-171.1	63	75	-2.6	111.2	F197 G246 P247 Q254 R255 E259	F197-R250 HydrophobicContact CE1-CB 3.96Å; F197-R250 HydrophobicContact CE1-CG 4.14Å; G246-R250 VanDerWaalsContact O-CB 3.24Å; G246-R250 WeakPolarHBondContact O-CB 3.28Å; G246-R250 PolarHBondContact O-N 2.81Å; P247-R250 PolarHBondContact O-N 2.79Å; R250-Q254 PolarHBondContact O-N 3.41Å; R250-Q254 VanDerWaalsContact O-N 3.13Å; R250-R255 HydrophobicContact CG-CB 3.7Å; R250-R255 WeakPolarHBondContact CG-O 3.43Å; R250-R255 PolarHBondContact NH1-O 3.26Å; R250-R255 PolarHBondContact O-N 2.91Å; R250-E259 WeakPolarHBondContact CD-O 3.36Å
251	A	97.6	Very high	94.5	Very high	62 Å²	62	50.2 Å²	50.2	51%	0.512	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-46.9	179	0	0	0	0	0	112	P247 H248 L253 Q254	P247-A251 WeakPolarHBondContact O-CB 3.43Å; P247-A251 PolarHBondContact O-N 3.32Å; H248-A251 PolarHBondContact O-N 3.26Å; A251-L253 VanDerWaalsContact C-N 3.28Å; A251-L253 PolarHBondContact O-N 3.23Å; A251-Q254 PolarHBondContact O-N 3.44Å
252	L	98.2	Very high	94.8	Very high	48 Å²	48	47.2 Å²	47.2	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-56.3	-42.8	177.2	176.6	64.5	0	0	0	111.9	L147 K150 I151 I154 H248 L249 Q254	L147-L252 HydrophobicContact CD1-CD1 3.94Å; L147-L252 HydrophobicContact CD1-CD2 4.02Å; L147-L252 HydrophobicContact CD1-CG 3.83Å; K150-L252 HydrophobicContact CB-CD1 4.29Å; K150-L252 HydrophobicContact CB-CD2 3.91Å; K150-L252 HydrophobicContact CD-CD1 4.1Å; I151-L252 HydrophobicContact CG1-CD2 3.75Å; I154-L252 HydrophobicContact CD1-CB 4.36Å; I154-L252 HydrophobicContact CD1-CD2 3.72Å; H248-L252 WeakPolarHBondContact O-CB 3.26Å; H248-L252 PolarHBondContact O-N 2.63Å; L249-L252 PolarHBondContact O-N 3.15Å; L252-Q254 VanDerWaalsContact C-N 3.27Å; L252-Q254 PolarHBondContact O-N 3.28Å
253	L	98.2	Very high	95.4	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.11	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.8	-179	-63.5	172.2	0	0	0	113.5	V140 V142 L147 I151 L195 F197 L249 A251 R255	V140-L253 HydrophobicContact CG1-CD1 4.12Å; V140-L253 HydrophobicContact CG1-CD2 4.28Å; V142-L253 HydrophobicContact CG2-CD2 3.94Å; L147-L253 HydrophobicContact CD1-CD2 4.28Å; L147-L253 HydrophobicContact CD2-CD2 3.88Å; L147-L253 HydrophobicContact CG-CD2 4.25Å; I151-L253 HydrophobicContact CD1-CD2 4.37Å; L195-L253 HydrophobicContact CB-CD1 4.41Å; L195-L253 HydrophobicContact CD1-CD1 4.04Å; L195-L253 HydrophobicContact CD2-CD1 3.67Å; L195-L253 HydrophobicContact CG-CD1 4.24Å; F197-L253 HydrophobicContact CE2-CD1 4.09Å; F197-L253 HydrophobicContact CZ-CD1 4.24Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.24Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.47Å; L249-L253 PolarHBondContact O-N 3.3Å; A251-L253 VanDerWaalsContact C-N 3.28Å; A251-L253 PolarHBondContact O-N 3.23Å; L253-R255 HydrophobicContact CB-CG 3.91Å; L253-R255 WeakPolarHBondContact O-CD 3.39Å; L253-R255 PolarHBondContact O-N 3.07Å; L253-R255 VanDerWaalsContact O-N 3.15Å
254	Q	98.2	Very high	96.1	Very high	175 Å²	175	47.2 Å²	47.2	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37.4	178.6	-54.5	178	13.6	0	0	112.7	R250 A251 L252	R250-Q254 PolarHBondContact O-N 3.41Å; R250-Q254 VanDerWaalsContact O-N 3.13Å; A251-Q254 PolarHBondContact O-N 3.44Å; L252-Q254 VanDerWaalsContact C-N 3.27Å; L252-Q254 PolarHBondContact O-N 3.28Å
255	R	98	Very high	96.6	Very high	70 Å²	70	45.6 Å²	45.6	26%	0.264	25%	0.246	S	C	.	.			trans	-82.9	141.6	178.9	-60.9	-44.4	-57	155.9	3.1	110.8	V140 F197 R250 L253 E259	V140-R255 HydrophobicContact CG2-CG 4.27Å; F197-R255 HydrophobicContact CD2-CG 4.48Å; F197-R255 HydrophobicContact CE1-CB 4.3Å; F197-R255 HydrophobicContact CE1-CG 4.22Å; F197-R255 HydrophobicContact CE2-CG 4.14Å; F197-R255 HydrophobicContact CZ-CG 4.01Å; R250-R255 HydrophobicContact CG-CB 3.7Å; R250-R255 WeakPolarHBondContact CG-O 3.43Å; R250-R255 PolarHBondContact NH1-O 3.26Å; R250-R255 PolarHBondContact O-N 2.91Å; L253-R255 HydrophobicContact CB-CG 3.91Å; L253-R255 WeakPolarHBondContact O-CD 3.39Å; L253-R255 PolarHBondContact O-N 3.07Å; L253-R255 VanDerWaalsContact O-N 3.15Å; R255-E259 HydrophobicContact CB-CB 4.42Å; R255-E259 IonicContact CZ-OE1 3.26Å; R255-E259 IonicContact CZ-OE2 3.87Å; R255-E259 VanDerWaalsContact CZ-OE2 3.3Å; R255-E259 IonicContact NE-OE1 2.87Å; R255-E259 IonicContact NE-OE2 3.88Å; R255-E259 PolarHBondContact NE-OE2 3.22Å; R255-E259 VanDerWaalsContact NH2-CD 3.27Å; R255-E259 IonicContact NH2-OE1 2.76Å; R255-E259 PolarHBondContact NH2-OE1 2.63Å; R255-E259 IonicContact NH2-OE2 3.71Å; R255-E259 PolarHBondContact NH2-OE2 3.05Å; R255-E259 VanDerWaalsContact NH2-OE2 3.09Å
256	P	96.2	Very high	96.9	Very high	54 Å²	54	45.6 Å²	45.6	35%	0.351	25%	0.246	S	C	.	.			trans	-66.2	159.9	-175.8	31.2	-38.2	0	0	0	111.5	N258 E259	P256-N258 WeakPolarHBondContact CB-OD1 3.34Å; P256-N258 WeakPolarHBondContact CG-OD1 3.2Å; P256-N258 PolarHBondContact O-N 3.15Å; P256-N258 VanDerWaalsContact O-N 3.12Å; P256-E259 HydrophobicContact CG-CB 4.4Å; P256-E259 HydrophobicContact CG-CG 4.03Å; P256-E259 PolarHBondContact O-N 3.25Å
257	A	93.6	Very high	97.2	Very high	71 Å²	71	45.1 Å²	45.1	59%	0.587	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18	-175.2	0	0	0	0	0	114.2	E259	A257-E259 VanDerWaalsContact C-N 3.25Å
258	N	95.2	Very high	97.5	Very high	16 Å²	16	41.6 Å²	41.6	9%	0.086	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.6	174.9	71.2	-57.8	0	0	0	113.2	Q199 V200 Y201 P256	Q199-N258 CarbonylContact C-O 3.5Å; Q199-N258 WeakPolarHBondContact CA-O 3.49Å; V200-N258 HydrophobicContact CG2-CB 4.39Å; V200-N258 WeakPolarHBondContact CG2-O 3.41Å; V200-N258 PolarHBondContact N-O 3.47Å; Y201-N258 HydrophobicContact CD1-CB 4.01Å; Y201-N258 HydrophobicContact CD2-CB 3.79Å; Y201-N258 HydrophobicContact CE1-CB 3.63Å; Y201-N258 HydrophobicContact CE2-CB 3.41Å; Y201-N258 VanDerWaalsContact CE2-CB 3.41Å; Y201-N258 HydrophobicContact CG-CB 4.07Å; Y201-N258 PolarHBondContact O-ND2 3Å; P256-N258 WeakPolarHBondContact CB-OD1 3.34Å; P256-N258 WeakPolarHBondContact CG-OD1 3.2Å; P256-N258 PolarHBondContact O-N 3.15Å; P256-N258 VanDerWaalsContact O-N 3.12Å
259	E	97.3	Very high	97.6	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.4	177.4	-78.7	-176.5	-165.8	0	0	111	T138 F197 K198 Q199 R250 R255 P256 A257	T138-E259 WeakPolarHBondContact CB-OE1 3.32Å; T138-E259 PolarHBondContact OG1-OE1 2.73Å; F197-E259 HydrophobicContact CB-CB 4.05Å; F197-E259 HydrophobicContact CB-CG 4.3Å; F197-E259 HydrophobicContact CD1-CB 3.88Å; F197-E259 HydrophobicContact CG-CB 4.31Å; K198-E259 WeakPolarHBondContact O-CA 3.41Å; Q199-E259 HydrophobicContact CG-CG 3.82Å; R250-E259 WeakPolarHBondContact CD-O 3.36Å; R255-E259 HydrophobicContact CB-CB 4.42Å; R255-E259 IonicContact CZ-OE1 3.26Å; R255-E259 IonicContact CZ-OE2 3.87Å; R255-E259 VanDerWaalsContact CZ-OE2 3.3Å; R255-E259 IonicContact NE-OE1 2.87Å; R255-E259 IonicContact NE-OE2 3.88Å; R255-E259 PolarHBondContact NE-OE2 3.22Å; R255-E259 VanDerWaalsContact NH2-CD 3.27Å; R255-E259 IonicContact NH2-OE1 2.76Å; R255-E259 PolarHBondContact NH2-OE1 2.63Å; R255-E259 IonicContact NH2-OE2 3.71Å; R255-E259 PolarHBondContact NH2-OE2 3.05Å; R255-E259 VanDerWaalsContact NH2-OE2 3.09Å; P256-E259 HydrophobicContact CG-CB 4.4Å; P256-E259 HydrophobicContact CG-CG 4.03Å; P256-E259 PolarHBondContact O-N 3.25Å; A257-E259 VanDerWaalsContact C-N 3.25Å
260	K	96.9	Very high	97.6	Very high	98 Å²	98	42.5 Å²	42.5	43%	0.426	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.7	173.2	-66.2	-170.5	178	-175.2	0	109.4	F197 K198 V200 L262	F197-K260 CarbonylContact C-O 3.51Å; F197-K260 VanDerWaalsContact CA-O 3.25Å; F197-K260 WeakPolarHBondContact CA-O 3.49Å; F197-K260 VanDerWaalsContact CD1-C 3.41Å; K198-K260 HydrophobicContact CG-CB 4.14Å; K198-K260 PolarHBondContact N-O 3.24Å; K198-K260 PolarHBondContact O-N 2.72Å; V200-K260 HydrophobicContact CG1-CD 3.86Å; V200-K260 HydrophobicContact CG1-CG 4.01Å; K260-L262 PolarHBondContact O-N 3.25Å
261	L	97.6	Very high	97.7	Very high	27 Å²	27	42.6 Å²	42.6	14%	0.141	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129	175.9	-179.5	66.3	0	0	0	108.9	L195 F197 P242 L249 L263	L195-L261 HydrophobicContact CB-CD1 3.86Å; L195-L261 HydrophobicContact CD2-CD1 4.06Å; L195-L261 HydrophobicContact CG-CD1 4.44Å; F197-L261 HydrophobicContact CD1-CB 4.21Å; F197-L261 VanDerWaalsContact CD1-N 3.3Å; F197-L261 HydrophobicContact CD2-CD1 4.2Å; F197-L261 HydrophobicContact CE1-CB 3.84Å; F197-L261 HydrophobicContact CE2-CD1 3.87Å; F197-L261 HydrophobicContact CZ-CB 4.1Å; F197-L261 HydrophobicContact CZ-CD1 4.03Å; P242-L261 HydrophobicContact CG-CD2 3.77Å; L249-L261 HydrophobicContact CB-CD2 4.33Å; L249-L261 HydrophobicContact CD1-CD2 3.46Å; L249-L261 VanDerWaalsContact CD1-CD2 3.46Å; L261-L263 WeakPolarHBondContact CD1-O 3.37Å
262	L	97	Very high	97.7	Very high	29 Å²	29	50.6 Å²	50.6	15%	0.152	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-55.1	173.6	-173.7	68.3	0	0	0	110.4	I196 K198 E216 V219 K260	I196-L262 WeakPolarHBondContact O-CB 3.44Å; I196-L262 PolarHBondContact O-N 3.3Å; K198-L262 HydrophobicContact CD-CD1 4.44Å; E216-L262 HydrophobicContact CG-CD1 3.98Å; V219-L262 HydrophobicContact CB-CD2 3.89Å; V219-L262 HydrophobicContact CG1-CD2 3.54Å; K260-L262 PolarHBondContact O-N 3.25Å
263	L	98.2	Very high	97.6	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.7	-177.4	-63	179	0	0	0	111.5	I196 C223 T239 T241 L261	I196-L263 HydrophobicContact CD1-CB 3.87Å; I196-L263 PolarHBondContact N-O 2.91Å; I196-L263 PolarHBondContact O-N 3.16Å; C223-L263 HydrophobicContact CB-CD1 3.68Å; T239-L263 HydrophobicContact CG2-CD1 3.79Å; T239-L263 HydrophobicContact CG2-CD2 3.57Å; T239-L263 HydrophobicContact CG2-CG 4.23Å; T241-L263 HydrophobicContact CG2-CD2 3.56Å; L261-L263 WeakPolarHBondContact CD1-O 3.37Å
264	L	98.6	Very high	97.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.6	166.4	-175.1	167.5	0	0	0	108.7	I151 V155 L187 L195 S240 P242	I151-L264 HydrophobicContact CG2-CD1 3.88Å; V155-L264 HydrophobicContact CG2-CD1 4.34Å; L187-L264 HydrophobicContact CD2-CD1 4.19Å; L187-L264 HydrophobicContact CD2-CD2 3.45Å; L187-L264 VanDerWaalsContact CD2-CD2 3.45Å; L187-L264 HydrophobicContact CD2-CG 4.49Å; L195-L264 HydrophobicContact CD2-CD1 4.03Å; L195-L264 HydrophobicContact CD2-CG 4.28Å; L195-L264 HydrophobicContact CG-CD1 4.34Å; L195-L264 HydrophobicContact CG-CG 4.08Å; S240-L264 PolarHBondContact N-O 2.87Å; S240-L264 PolarHBondContact O-N 3.09Å; S240-L264 PolarHBondContact OG-O 2.92Å; P242-L264 HydrophobicContact CG-CB 4.24Å; P242-L264 HydrophobicContact CG-CD1 4.39Å
265	L	98.9	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.9	178.5	-55.7	-173	0	0	0	110.6	I194 I196 L226 L227 T237 T239 V267	I194-L265 HydrophobicContact CB-CB 4.33Å; I194-L265 PolarHBondContact N-O 3.45Å; I194-L265 PolarHBondContact O-N 3.05Å; I196-L265 HydrophobicContact CD1-CD1 3.68Å; I196-L265 HydrophobicContact CD1-CG 3.65Å; L226-L265 HydrophobicContact CD2-CD1 3.72Å; L226-L265 HydrophobicContact CG-CD1 4.33Å; L227-L265 HydrophobicContact CD2-CD1 4.38Å; T237-L265 WeakPolarHBondContact OG1-CB 3.35Å; T239-L265 HydrophobicContact CG2-CD2 4.29Å; L265-V267 HydrophobicContact CB-CG2 4.25Å
266	P	98.8	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.8	164.1	34	-34.8	0	0	0	108.6	L108 Y186 A190 L193 T237 V238	L108-P266 HydrophobicContact CD1-CB 3.72Å; L108-P266 HydrophobicContact CD1-CG 3.93Å; L108-P266 WeakPolarHBondContact CD1-O 3.46Å; Y186-P266 HydrophobicContact CD2-CB 3.85Å; Y186-P266 HydrophobicContact CD2-CG 3.52Å; Y186-P266 HydrophobicContact CE2-CG 3.87Å; Y186-P266 HydrophobicContact CG-CG 4.36Å; A190-P266 HydrophobicContact CB-CB 3.8Å; L193-P266 HydrophobicContact CD2-CB 3.75Å; T237-P266 VanDerWaalsContact CA-O 3.25Å; T237-P266 WeakPolarHBondContact CA-O 3.15Å; T237-P266 WeakPolarHBondContact CB-O 3.24Å; T237-P266 PolarHBondContact OG1-O 3.07Å; V238-P266 HydrophobicContact CG1-CG 3.73Å; V238-P266 WeakPolarHBondContact O-CD 3.27Å
267	V	98.9	Very high	97.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129	-171.2	178.4	0	0	0	0	110.3	I118 P191 Y192 I194 L230 L235 L265	I118-V267 HydrophobicContact CD1-CG1 3.94Å; P191-V267 VanDerWaalsContact CD-O 3.23Å; P191-V267 WeakPolarHBondContact CD-O 3.4Å; P191-V267 WeakPolarHBondContact CG-O 3.18Å; Y192-V267 PolarHBondContact N-O 3.41Å; Y192-V267 PolarHBondContact O-N 2.84Å; I194-V267 HydrophobicContact CD1-CG2 3.82Å; I194-V267 HydrophobicContact CG1-CG2 4.06Å; L230-V267 HydrophobicContact CD1-CG2 4.12Å; L230-V267 HydrophobicContact CD2-CG1 3.58Å; L230-V267 HydrophobicContact CD2-CG2 4.28Å; L235-V267 HydrophobicContact CB-CG1 4.25Å; L235-V267 HydrophobicContact CD1-CG1 4.04Å; L265-V267 HydrophobicContact CB-CG2 4.25Å
268	G	98.6	Very high	97.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	-170.9	176	0	0	0	0	0	112.9	Y236	Y236-G268 PolarHBondContact N-O 3.22Å; Y236-G268 PolarHBondContact O-N 2.88Å
269	Y	98.8	Very high	98	Very high	71 Å²	71	53.8 Å²	53.8	28%	0.278	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-75.3	153.3	168.5	-61.5	-65.8	0	0	0	110.9	L108 S109 E111 V113 L235	L108-Y269 CarbonylContact C-O 3.57Å; L108-Y269 WeakPolarHBondContact CA-O 3.12Å; S109-Y269 PolarHBondContact N-O 3.13Å; E111-Y269 HydrophobicContact CB-CD2 3.94Å; E111-Y269 HydrophobicContact CG-CD2 3.8Å; E111-Y269 HydrophobicContact CG-CE2 4.01Å; V113-Y269 HydrophobicContact CG2-CD2 4.22Å; V113-Y269 HydrophobicContact CG2-CE2 3.94Å; L235-Y269 HydrophobicContact CD2-CD1 4.19Å; L235-Y269 HydrophobicContact CD2-CE1 3.86Å
270	P	98.4	Very high	98	Very high	49 Å²	49	60.1 Å²	60.1	32%	0.318	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-72.1	146.9	172	32.3	-32.2	0	0	0	109.3	V105 Y236 A274	V105-P270 HydrophobicContact CG1-CB 4.07Å; Y236-P270 VanDerWaalsContact CD2-CD 3.49Å; Y236-P270 HydrophobicContact CD2-CG 4.12Å; Y236-P270 HydrophobicContact CE2-CG 4.2Å; P270-A274 HydrophobicContact CB-CB 3.93Å
271	K	98.3	Very high	98	Very high	78 Å²	78	61.3 Å²	61.3	34%	0.339	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-60.9	155.3	165.5	-66.4	-169.7	174.1	-179.9	0	110.4	L107 L108 D273 A274	L107-K271 HydrophobicContact CB-CB 4.49Å; L107-K271 PolarHBondContact O-N 2.77Å; L108-K271 WeakPolarHBondContact O-CE 3.23Å; L108-K271 WeakPolarHBondContact O-CG 3.35Å; K271-D273 WeakPolarHBondContact CB-OD1 3.32Å; K271-D273 PolarHBondContact O-N 3.4Å; K271-A274 HydrophobicContact CB-CB 4.4Å; K271-A274 WeakPolarHBondContact O-CB 3.38Å; K271-A274 PolarHBondContact O-N 2.74Å
272	K	97	Very high	98.1	Very high	230 Å²	230	67 Å²	67	100%	1	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32	178	-69.7	-177.1	179.1	176.5	0	113.1
273	D	97.1	Very high	98.1	Very high	112 Å²	112	68.3 Å²	68.3	60%	0.599	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	12.1	178.4	65.4	-23.6	0	0	0	112.9	K271 T275	K271-D273 WeakPolarHBondContact CB-OD1 3.32Å; K271-D273 PolarHBondContact O-N 3.4Å; D273-T275 PolarHBondContact O-N 3.42Å
274	A	97.9	Very high	98.2	Very high	33 Å²	33	72.3 Å²	72.3	27%	0.273	39%	0.388	S	S	.	.			trans	-59.7	127.1	180	0	0	0	0	0	111.1	V105 L107 P270 K271	V105-A274 HydrophobicContact CG1-CB 4.27Å; L107-A274 HydrophobicContact CB-CB 3.88Å; P270-A274 HydrophobicContact CB-CB 3.93Å; K271-A274 HydrophobicContact CB-CB 4.4Å; K271-A274 WeakPolarHBondContact O-CB 3.38Å; K271-A274 PolarHBondContact O-N 2.74Å
275	T	98.1	Very high	98.1	Very high	107 Å²	107	79.1 Å²	79.1	66%	0.656	42%	0.419	S	S	*	.			trans	-111.6	155.7	175.3	59.4	0	0	0	0	111.1	D273	D273-T275 PolarHBondContact O-N 3.42Å
276	V	98.2	Very high	98.1	Very high	56 Å²	56	84 Å²	84	34%	0.339	45%	0.446	S	S	.	.			trans	-131.1	147.4	173	-66.5	0	0	0	0	108.7	R103 V105	R103-V276 HydrophobicContact CB-CG1 4Å; R103-V276 HydrophobicContact CG-CG2 4.42Å; R103-V276 VanDerWaalsContact NH1-CG2 3.34Å; V105-V276 HydrophobicContact CG2-CG1 4.4Å
277	P	97.7	Very high	98.1	Very high	31 Å²	31	89.6 Å²	89.6	20%	0.201	48%	0.475	C	S	.	.			trans	-61.6	143.2	176	26.7	-34.8	0	0	0	109.9	R103 L178 L279	R103-P277 PolarHBondContact NH1-O 3.2Å; R103-P277 PolarHBondContact NH2-O 3.08Å; L178-P277 HydrophobicContact CD2-CG 4.17Å; P277-L279 HydrophobicContact CB-CD1 4.37Å; P277-L279 HydrophobicContact CB-CD2 4.33Å; P277-L279 HydrophobicContact CB-CG 3.94Å; P277-L279 HydrophobicContact CG-CD1 3.9Å; P277-L279 HydrophobicContact CG-CG 3.96Å; P277-L279 PolarHBondContact O-N 2.71Å
278	A	97.5	Very high	98.1	Very high	106 Å²	106	94.5 Å²	94.5	88%	0.876	50%	0.499	S	S	*	.			trans	-77	60.1	179.7	0	0	0	0	0	111.7
279	L	97.3	Very high	98	Very high	77 Å²	77	100.6 Å²	100.6	40%	0.403	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-85.2	140.8	178.3	-55	177.8	0	0	0	110.5	L178 P277	L178-L279 HydrophobicContact CD2-CD1 3.9Å; P277-L279 HydrophobicContact CB-CD1 4.37Å; P277-L279 HydrophobicContact CB-CD2 4.33Å; P277-L279 HydrophobicContact CB-CG 3.94Å; P277-L279 HydrophobicContact CG-CD1 3.9Å; P277-L279 HydrophobicContact CG-CG 3.96Å; P277-L279 PolarHBondContact O-N 2.71Å
280	T	97.5	Very high	97.9	Very high	137 Å²	137	103 Å²	103	84%	0.84	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-97.8	146.8	169.8	51.3	0	0	0	0	110.3
281	R	98.4	Very high	97.6	Very high	123 Å²	123	112.3 Å²	112.3	46%	0.464	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-83.1	153.9	167.8	-72.2	-176.1	171.3	111.4	1.4	108.8	N100 R102	N100-R281 VanDerWaalsContact CA-NH1 3.35Å; N100-R281 PolarHBondContact O-NH1 2.8Å; N100-R281 PolarHBondContact OD1-NH1 3.06Å; R102-R281 PolarHBondContact O-NH2 3.42Å
282	K	98.5	Very high	97.6	Very high	147 Å²	147	114 Å²	114	64%	0.639	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-58.8	145.6	169.7	-67.4	-176.9	175.7	-171.8	0	110.2	D286 I287	K282-D286 HydrophobicContact CB-CB 4.04Å; K282-D286 HydrophobicContact CD-CB 4.27Å; K282-I287 HydrophobicContact CB-CG2 3.83Å; K282-I287 HydrophobicContact CD-CG2 3.93Å
283	P	98.4	Very high	97.6	Very high	56 Å²	56	107.9 Å²	107.9	36%	0.364	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-71.7	171.8	172.6	36.8	-39.6	0	0	0	111.1	E285 D286	P283-E285 VanDerWaalsContact CB-CD 3.49Å; P283-E285 HydrophobicContact CB-CG 4.37Å; P283-E285 WeakPolarHBondContact CB-OE1 3.47Å; P283-E285 WeakPolarHBondContact CB-OE2 3.47Å; P283-E285 HydrophobicContact CG-CG 4.06Å; P283-E285 PolarHBondContact O-N 3.44Å; P283-D286 WeakPolarHBondContact CD-OD2 3.32Å; P283-D286 HydrophobicContact CG-CB 4.16Å; P283-D286 PolarHBondContact O-N 3.39Å
284	L	98.4	Very high	97.6	Very high	104 Å²	104	107.7 Å²	107.7	55%	0.545	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-65.6	-40.8	-171.5	179	61.5	0	0	0	112	D286 I287 M288	L284-D286 PolarHBondContact O-N 3.44Å; L284-I287 HydrophobicContact CD1-CG1 4.28Å; L284-I287 WeakPolarHBondContact O-CG1 3.34Å; L284-I287 PolarHBondContact O-N 2.93Å; L284-M288 HydrophobicContact CD1-CB 3.9Å; L284-M288 HydrophobicContact CD1-SD 4.14Å; L284-M288 HydrophobicContact CD2-CE 4.11Å; L284-M288 HydrophobicContact CG-CB 4.31Å; L284-M288 HydrophobicContact CG-CE 4.19Å; L284-M288 HydrophobicContact CG-SD 4.46Å; L284-M288 WeakPolarHBondContact O-CB 3.47Å; L284-M288 PolarHBondContact O-N 3.33Å
285	E	98.3	Very high	97.6	Very high	144 Å²	144	112.1 Å²	112.1	67%	0.673	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-59.4	-24	178.4	58.1	-89.7	-154.3	0	0	113.6	P283	P283-E285 VanDerWaalsContact CB-CD 3.49Å; P283-E285 HydrophobicContact CB-CG 4.37Å; P283-E285 WeakPolarHBondContact CB-OE1 3.47Å; P283-E285 WeakPolarHBondContact CB-OE2 3.47Å; P283-E285 HydrophobicContact CG-CG 4.06Å; P283-E285 PolarHBondContact O-N 3.44Å
286	D	98.4	Very high	97.6	Very high	104 Å²	104	112.4 Å²	112.4	56%	0.556	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-87	-9.8	178.1	-79.5	4.6	0	0	0	113.2	K282 P283 L284	K282-D286 HydrophobicContact CB-CB 4.04Å; K282-D286 HydrophobicContact CD-CB 4.27Å; P283-D286 WeakPolarHBondContact CD-OD2 3.32Å; P283-D286 HydrophobicContact CG-CB 4.16Å; P283-D286 PolarHBondContact O-N 3.39Å; L284-D286 PolarHBondContact O-N 3.44Å
287	I	98.1	Very high	97.5	Very high	117 Å²	117	116.1 Å²	116.1	60%	0.6	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	-6.4	-173.7	66.5	171.5	0	0	0	113.8	K282 L284	K282-I287 HydrophobicContact CB-CG2 3.83Å; K282-I287 HydrophobicContact CD-CG2 3.93Å; L284-I287 HydrophobicContact CD1-CG1 4.28Å; L284-I287 WeakPolarHBondContact O-CG1 3.34Å; L284-I287 PolarHBondContact O-N 2.93Å
288	M	98.3	Very high	97.5	Very high	103 Å²	103	122.2 Å²	122.2	51%	0.507	66%	0.656	S	S	.	*			trans	-126.2	124.2	179.2	-173.5	179.9	76.7	0	0	110.2	L284 V290	L284-M288 HydrophobicContact CD1-CB 3.9Å; L284-M288 HydrophobicContact CD1-SD 4.14Å; L284-M288 HydrophobicContact CD2-CE 4.11Å; L284-M288 HydrophobicContact CG-CB 4.31Å; L284-M288 HydrophobicContact CG-CE 4.19Å; L284-M288 HydrophobicContact CG-SD 4.46Å; L284-M288 WeakPolarHBondContact O-CB 3.47Å; L284-M288 PolarHBondContact O-N 3.33Å; M288-V290 HydrophobicContact CE-CG2 4.11Å
289	V	98	Very high	97.5	Very high	128 Å²	128	123.5 Å²	123.5	78%	0.776	64%	0.639	S	S	*	*			trans	-112.8	127.6	171.4	-179.4	0	0	0	0	107.9	M291	V289-M291 HydrophobicContact CG1-CG 4.38Å
290	V	95.6	Very high	97.5	Very high	122 Å²	122	127.3 Å²	127.3	74%	0.739	66%	0.658	S	S	*	*			trans	-102	123.3	171.1	-176.8	0	0	0	0	106.9	M288	M288-V290 HydrophobicContact CE-CG2 4.11Å
291	M	92.6	Very high	97.5	Very high	243 Å²	243	126.5 Å²	126.5	100%	1.197	64%	0.642	S	S	*	*			trans	-98.4	0	176.2	-67.1	-171.3	-75.2	0	0	110.7	V289	V289-M291 HydrophobicContact CG1-CG 4.38Å

Retrieved 291 of 291 residues in 50 ms (Link to these results)

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