A0A087XFF5_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087XFF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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	51.6	Low	48.7	Very low	224 Å²	224	131 Å²	131	100%	1.103	68%	0.681	S	S	*	*				0	32.8	0	-83.2	-176.1	-82.3	0	0	112.3
2	E	47.4	Very low	48.7	Very low	168 Å²	168	129.1 Å²	129.1	79%	0.785	67%	0.672	S	S	*	*			trans	-116.6	-16	176.6	-71	-177.8	145.1	0	0	113.2
3	H	43.1	Very low	48.9	Very low	166 Å²	166	126.2 Å²	126.2	77%	0.769	66%	0.663	S	S	*	*	H	α-helix	trans	-82.3	-15.5	179.5	-72.5	-68.2	0	0	0	114.8
4	S	45.7	Very low	48.8	Very low	94 Å²	94	123 Å²	123	66%	0.657	65%	0.65	S	S	*	*	H	α-helix	trans	-84.9	-24.4	179.1	-47.5	0	0	0	0	112.9
5	V	50.6	Low	48.6	Very low	94 Å²	94	122.1 Å²	122.1	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-78.3	-34.3	179.7	-172.7	0	0	0	0	110.9	R7 L8 T9	V5-R7 VanDerWaalsContact C-N 3.34Å; V5-R7 PolarHBondContact O-N 3.49Å; V5-L8 PolarHBondContact O-N 3.37Å; V5-T9 PolarHBondContact O-N 3.49Å; V5-T9 PolarHBondContact O-OG1 2.86Å
6	L	45.8	Very low	48.3	Very low	128 Å²	128	121.1 Å²	121.1	67%	0.67	65%	0.649	S	S	*	*	H	α-helix	trans	-71	-25.8	180	-139.3	80.1	0	0	0	113.8	T9 C10	L6-T9 PolarHBondContact O-OG1 2.72Å; L6-T9 VanDerWaalsContact O-OG1 3.1Å; L6-C10 PolarHBondContact O-N 3.01Å
7	R	48.2	Very low	48	Very low	202 Å²	202	121.8 Å²	121.8	76%	0.762	65%	0.652	S	S	*	*	H	α-helix	trans	-80.2	-31.6	175.2	-72.9	-168.5	176	-168.2	-0.7	112.3	V5 V11	V5-R7 VanDerWaalsContact C-N 3.34Å; V5-R7 PolarHBondContact O-N 3.49Å; R7-V11 WeakPolarHBondContact O-CG2 3.37Å; R7-V11 PolarHBondContact O-N 3.41Å
8	L	49.4	Very low	47.6	Very low	121 Å²	121	123.1 Å²	123.1	63%	0.634	66%	0.658	S	S	*	*	H	α-helix	trans	-73.6	-35.1	178.5	-144.6	76.4	0	0	0	111.9	V5 L12	V5-L8 PolarHBondContact O-N 3.37Å; L8-L12 PolarHBondContact O-N 3.29Å
9	T	52.2	Low	47	Very low	75 Å²	75	122.7 Å²	122.7	46%	0.46	66%	0.656	S	S	.	*	H	α-helix	trans	-69.1	-34.7	173.8	51.1	0	0	0	0	112.4	V5 L6 V13	V5-T9 PolarHBondContact O-N 3.49Å; V5-T9 PolarHBondContact O-OG1 2.86Å; L6-T9 PolarHBondContact O-OG1 2.72Å; L6-T9 VanDerWaalsContact O-OG1 3.1Å; T9-V13 VanDerWaalsContact O-CG2 3.27Å; T9-V13 WeakPolarHBondContact O-CG2 2.93Å; T9-V13 PolarHBondContact O-N 3.48Å
10	C	48.3	Very low	46.3	Very low	84 Å²	84	126.2 Å²	126.2	57%	0.568	67%	0.665	S	S	*	*	H	α-helix	trans	-71.1	-35.3	177.4	-135.6	0	0	0	0	112.8	L6 V14	L6-C10 PolarHBondContact O-N 3.01Å; C10-V14 WeakPolarHBondContact O-CG2 3.1Å; C10-V14 PolarHBondContact O-N 3.37Å
11	V	53.8	Low	45.7	Very low	85 Å²	85	129.5 Å²	129.5	52%	0.515	67%	0.668	S	S	.	*	H	α-helix	trans	-72.9	-36.9	177.6	174.4	0	0	0	0	112	R7 V14 I15	R7-V11 WeakPolarHBondContact O-CG2 3.37Å; R7-V11 PolarHBondContact O-N 3.41Å; V11-V14 PolarHBondContact O-N 2.86Å; V11-I15 HydrophobicContact CG1-CD1 3.88Å; V11-I15 WeakPolarHBondContact O-CG1 3.36Å; V11-I15 PolarHBondContact O-N 2.66Å; V11-I15 VanDerWaalsContact O-N 3.1Å
12	L	48.4	Very low	44.7	Very low	108 Å²	108	124.7 Å²	124.7	57%	0.565	65%	0.651	S	S	*	*	H	α-helix	trans	-68.5	-33.6	175.8	-76.4	166.2	0	0	0	112.8	L8 C16	L8-L12 PolarHBondContact O-N 3.29Å; L12-C16 PolarHBondContact O-N 3.27Å; L12-C16 PolarHBondContact O-SG 2.94Å
13	V	50.8	Low	44	Very low	92 Å²	92	123 Å²	123	56%	0.558	65%	0.648	S	S	*	*	H	α-helix	trans	-71.5	-32.2	175.6	173.5	0	0	0	0	111.9	T9	T9-V13 VanDerWaalsContact O-CG2 3.27Å; T9-V13 WeakPolarHBondContact O-CG2 2.93Å; T9-V13 PolarHBondContact O-N 3.48Å
14	V	47.8	Very low	43.7	Very low	81 Å²	81	120.1 Å²	120.1	49%	0.491	65%	0.646	S	S	.	*	H	α-helix	trans	-76	-32.6	177	173.7	0	0	0	0	112.3	C10 V11 L17	C10-V14 WeakPolarHBondContact O-CG2 3.1Å; C10-V14 PolarHBondContact O-N 3.37Å; V11-V14 PolarHBondContact O-N 2.86Å; V14-L17 PolarHBondContact O-N 2.87Å
15	I	46.5	Very low	43.3	Very low	109 Å²	109	123 Å²	123	56%	0.559	65%	0.654	S	S	*	*	H	α-helix	trans	-70	-33.2	175.8	-66.5	168.3	0	0	0	111.3	V11 L17 L18	V11-I15 HydrophobicContact CG1-CD1 3.88Å; V11-I15 WeakPolarHBondContact O-CG1 3.36Å; V11-I15 PolarHBondContact O-N 2.66Å; V11-I15 VanDerWaalsContact O-N 3.1Å; I15-L17 PolarHBondContact O-N 3.27Å; I15-L18 PolarHBondContact O-N 3.37Å
16	C	42.8	Very low	43.2	Very low	107 Å²	107	128 Å²	128	72%	0.723	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-14.2	173.2	-71.9	0	0	0	0	114.4	L12	L12-C16 PolarHBondContact O-N 3.27Å; L12-C16 PolarHBondContact O-SG 2.94Å
17	L	43.6	Very low	43.1	Very low	132 Å²	132	129.4 Å²	129.4	69%	0.691	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-2.7	179	-70.6	174.2	0	0	0	114.2	V14 I15	V14-L17 PolarHBondContact O-N 2.87Å; I15-L17 PolarHBondContact O-N 3.27Å
18	L	40	Very low	42.8	Very low	146 Å²	146	127.1 Å²	127.1	76%	0.764	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-2.2	-179.1	-71.4	175	0	0	0	115.1	I15 K20	I15-L18 PolarHBondContact O-N 3.37Å; L18-K20 PolarHBondContact O-N 2.59Å
19	D	36.5	Very low	42.4	Very low	115 Å²	115	125.7 Å²	125.7	62%	0.615	70%	0.695	S	S	*	*			trans	-97.1	76.9	172.9	-150.1	-9.2	0	0	0	110.8	R21	D19-R21 PolarHBondContact O-N 3.03Å; D19-R21 VanDerWaalsContact O-N 3.09Å
20	K	33.2	Very low	41.6	Very low	192 Å²	192	128.7 Å²	128.7	84%	0.835	71%	0.707	S	S	*	*			trans	-80.8	69.8	165.5	-75	-165	177.8	-177.1	0	109.9	L18 V22	L18-K20 PolarHBondContact O-N 2.59Å; K20-V22 PolarHBondContact O-N 3.24Å
21	R	33.5	Very low	41	Very low	197 Å²	197	134.3 Å²	134.3	74%	0.743	72%	0.722	S	S	*	*			trans	-79.9	105	148.1	-74.9	-168.3	-161.9	-164.4	4.7	107.6	D19 D23	D19-R21 PolarHBondContact O-N 3.03Å; D19-R21 VanDerWaalsContact O-N 3.09Å; R21-D23 PolarHBondContact O-N 2.61Å
22	V	32.1	Very low	40.2	Very low	122 Å²	122	136.7 Å²	136.7	74%	0.739	73%	0.731	S	S	*	*			trans	-77.6	82.9	166.9	179.5	0	0	0	0	106.8	K20	K20-V22 PolarHBondContact O-N 3.24Å
23	D	31.6	Very low	39.8	Very low	133 Å²	133	139.6 Å²	139.6	71%	0.711	74%	0.741	S	S	*	*			trans	-86.6	105.2	157	-81.4	-36.1	0	0	0	107	R21 N25	R21-D23 PolarHBondContact O-N 2.61Å; D23-N25 PolarHBondContact O-N 2.95Å; D23-N25 VanDerWaalsContact O-N 3.16Å
24	S	36.6	Very low	39.5	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	75%	0.753	S	S	*	*			trans	-66.8	107.6	173.2	-59.8	0	0	0	0	109.3
25	N	37.3	Very low	39.5	Very low	155 Å²	155	145 Å²	145	83%	0.829	76%	0.763	S	S	*	*			trans	-129.3	121.1	159.9	-86.5	-28.3	0	0	0	110	D23 I27	D23-N25 PolarHBondContact O-N 2.95Å; D23-N25 VanDerWaalsContact O-N 3.16Å; N25-I27 PolarHBondContact O-N 3.1Å
26	E	48.5	Very low	40.1	Very low	198 Å²	198	145.9 Å²	145.9	93%	0.925	77%	0.765	S	S	*	*			trans	-68.1	106	-177.8	-63.2	178.9	143.7	0	0	111.8
27	I	44	Very low	41.2	Very low	159 Å²	159	145.6 Å²	145.6	82%	0.815	76%	0.761	S	S	*	*			trans	-144.1	84.7	158.2	-56.7	179.2	0	0	0	106.6	N25	N25-I27 PolarHBondContact O-N 3.1Å
28	L	42.1	Very low	42.4	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	76%	0.758	S	S	*	*			trans	167	100.5	154.7	-89.9	165.9	0	0	0	105.7	L30	L28-L30 PolarHBondContact O-N 3.21Å
29	G	40.1	Very low	44.2	Very low	91 Å²	91	141.4 Å²	141.4	94%	0.938	74%	0.739	S	S	*	*			trans	-67.2	55.6	178.7	0	0	0	0	0	113.8	K31	G29-K31 PolarHBondContact O-N 3.01Å
30	L	35.2	Very low	46.3	Very low	138 Å²	138	140 Å²	140	72%	0.723	73%	0.731	S	S	*	*			trans	-75.4	101.2	159.2	-71.2	170.3	0	0	0	106.6	L28 L32	L28-L30 PolarHBondContact O-N 3.21Å; L30-L32 PolarHBondContact O-N 3.21Å
31	K	35.9	Very low	48.7	Very low	201 Å²	201	132 Å²	132	87%	0.874	70%	0.701	S	S	*	*			trans	-58.8	82.2	149	-85.5	-178.3	175.4	176	0	106.8	G29 H33	G29-K31 PolarHBondContact O-N 3.01Å; K31-H33 VanDerWaalsContact C-N 3.29Å; K31-H33 PolarHBondContact O-N 2.81Å
32	L	37.7	Very low	51	Low	136 Å²	136	128.5 Å²	128.5	71%	0.712	70%	0.697	S	S	*	*			trans	-55.6	110.3	148.2	-80.4	160.8	0	0	0	103.4	L30 N34	L30-L32 PolarHBondContact O-N 3.21Å; L32-N34 PolarHBondContact O-N 3.15Å; L32-N34 VanDerWaalsContact O-N 3.13Å
33	H	39.8	Very low	53.5	Low	168 Å²	168	126.2 Å²	126.2	78%	0.778	68%	0.683	S	S	*	*			trans	-40.5	128.4	159.1	-101.5	68.8	0	0	0	105.8	K31 I35	K31-H33 VanDerWaalsContact C-N 3.29Å; K31-H33 PolarHBondContact O-N 2.81Å; H33-I35 PolarHBondContact O-N 2.91Å
34	N	45.3	Very low	56.2	Low	149 Å²	149	120.5 Å²	120.5	80%	0.797	65%	0.653	S	S	*	*			trans	-47	96	168.5	-77.9	-21.8	0	0	0	107	L32 E36	L32-N34 PolarHBondContact O-N 3.15Å; L32-N34 VanDerWaalsContact O-N 3.13Å; N34-E36 PolarHBondContact O-N 3.18Å
35	I	47.9	Very low	58.7	Low	139 Å²	139	115.6 Å²	115.6	71%	0.713	62%	0.619	S	S	*	*			trans	-74.5	82.3	164.3	-58.2	176	0	0	0	101.2	H33 P37	H33-I35 PolarHBondContact O-N 2.91Å; I35-P37 WeakPolarHBondContact O-CD 3.27Å
36	E	57.4	Low	61	Low	127 Å²	127	114.1 Å²	114.1	59%	0.593	61%	0.609	S	S	*	*			trans	-51.1	121.2	164	-73.5	-168.3	158.4	0	0	105.2	N34 I38	N34-E36 PolarHBondContact O-N 3.18Å; E36-I38 PolarHBondContact O-N 3.37Å; E36-I38 VanDerWaalsContact O-N 3.15Å
37	P	67	Low	62.7	Low	100 Å²	100	109 Å²	109	65%	0.649	59%	0.591	S	S	*	*			trans	-56.4	129.4	-174.6	22.3	-32.1	0	0	0	107.3	I35 L39	I35-P37 WeakPolarHBondContact O-CD 3.27Å; P37-L39 WeakPolarHBondContact O-CG 3.41Å; P37-L39 PolarHBondContact O-N 3.3Å
38	I	68.9	Low	64.6	Low	122 Å²	122	102.3 Å²	102.3	63%	0.626	56%	0.557	S	S	*	*			trans	-63.2	105.9	-179.7	-54.6	176	0	0	0	107.3	E36 N40 T43	E36-I38 PolarHBondContact O-N 3.37Å; E36-I38 VanDerWaalsContact O-N 3.15Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 WeakPolarHBondContact CG2-ND2 2.98Å; I38-N40 VanDerWaalsContact CG2-OD1 3.27Å; I38-N40 WeakPolarHBondContact CG2-OD1 3.4Å; I38-N40 PolarHBondContact O-N 2.75Å; I38-T43 PolarHBondContact O-OG1 3.48Å; I38-T43 VanDerWaalsContact O-OG1 3.13Å
39	L	77.8	Confident	66.5	Low	69 Å²	69	98 Å²	98	36%	0.361	54%	0.538	S	S	.	.			trans	-78.5	78.5	-179.6	-64.2	174.4	0	0	0	109.3	P37 V44 D64 A67	P37-L39 WeakPolarHBondContact O-CG 3.41Å; P37-L39 PolarHBondContact O-N 3.3Å; L39-V44 HydrophobicContact CB-CG2 4.24Å; L39-V44 HydrophobicContact CD2-CG2 3.92Å; L39-D64 HydrophobicContact CB-CB 4.33Å; L39-D64 HydrophobicContact CD1-CB 4.38Å; L39-A67 HydrophobicContact CD1-CB 3.89Å; L39-A67 HydrophobicContact CD2-CB 3.88Å; L39-A67 HydrophobicContact CG-CB 4.41Å
40	N	80.6	Confident	68.3	Low	85 Å²	85	95.7 Å²	95.7	46%	0.455	51%	0.514	S	S	.	.			trans	-93	159.6	175.6	-72.8	-19.3	0	0	0	110.8	I38 N42 T43 V44	I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 WeakPolarHBondContact CG2-ND2 2.98Å; I38-N40 VanDerWaalsContact CG2-OD1 3.27Å; I38-N40 WeakPolarHBondContact CG2-OD1 3.4Å; I38-N40 PolarHBondContact O-N 2.75Å; N40-N42 PolarHBondContact O-N 3.45Å; N40-T43 PolarHBondContact N-OG1 3.02Å; N40-T43 PolarHBondContact O-N 3.42Å; N40-T43 PolarHBondContact O-OG1 2.79Å; N40-V44 PolarHBondContact O-N 3.13Å
41	A	82.4	Confident	70.7	Confident	24 Å²	24	90.6 Å²	90.6	20%	0.198	49%	0.488	C	S	.	.	H	α-helix	trans	-56.3	-36.2	176.7	0	0	0	0	0	113	T43 C45 M46 M60 P63	A41-T43 PolarHBondContact O-N 3.38Å; A41-C45 WeakPolarHBondContact O-CA 3.11Å; A41-C45 VanDerWaalsContact O-CB 3.23Å; A41-C45 WeakPolarHBondContact O-CB 3.42Å; A41-C45 PolarHBondContact O-N 3.26Å; A41-M46 PolarHBondContact O-N 2.69Å; A41-M60 HydrophobicContact CB-SD 3.68Å; A41-P63 HydrophobicContact CB-CB 4.32Å; A41-P63 HydrophobicContact CB-CG 4.39Å
42	N	82.9	Confident	73.2	Confident	123 Å²	123	83 Å²	83	66%	0.658	46%	0.458	S	S	*	.	H	α-helix	trans	-69.1	-31.2	176.9	-66.7	-16.9	0	0	0	113.1	N40	N40-N42 PolarHBondContact O-N 3.45Å
43	T	84.8	Confident	75.6	Confident	74 Å²	74	84.4 Å²	84.4	45%	0.454	46%	0.458	S	S	.	.	H	α-helix	trans	-86.1	-27.7	-179	53.7	0	0	0	0	112.3	I38 N40 A41 T47	I38-T43 PolarHBondContact O-OG1 3.48Å; I38-T43 VanDerWaalsContact O-OG1 3.13Å; N40-T43 PolarHBondContact N-OG1 3.02Å; N40-T43 PolarHBondContact O-N 3.42Å; N40-T43 PolarHBondContact O-OG1 2.79Å; A41-T43 PolarHBondContact O-N 3.38Å; T43-T47 VanDerWaalsContact O-CG2 3.22Å; T43-T47 WeakPolarHBondContact O-CG2 3.42Å; T43-T47 PolarHBondContact O-OG1 3.46Å
44	V	86.8	Confident	78	Confident	13 Å²	13	83.6 Å²	83.6	8%	0.079	45%	0.448	C	S	.	.	H	α-helix	trans	-102.5	-61	-178.7	-175.6	0	0	0	0	111.7	L39 N40 T47 L48 P63 T66 A67	L39-V44 HydrophobicContact CB-CG2 4.24Å; L39-V44 HydrophobicContact CD2-CG2 3.92Å; N40-V44 PolarHBondContact O-N 3.13Å; V44-T47 PolarHBondContact O-N 3.26Å; V44-T47 PolarHBondContact O-OG1 3.03Å; V44-T47 VanDerWaalsContact O-OG1 3.05Å; V44-L48 HydrophobicContact CG1-CD1 3.94Å; V44-L48 WeakPolarHBondContact O-CD1 3.15Å; V44-L48 WeakPolarHBondContact O-CG 3.49Å; V44-L48 PolarHBondContact O-N 2.79Å; V44-P63 HydrophobicContact CB-CB 4.4Å; V44-T66 HydrophobicContact CG1-CG2 4.38Å; V44-A67 HydrophobicContact CG1-CB 4.2Å; V44-A67 HydrophobicContact CG2-CB 4.2Å
45	C	89.3	Confident	80.1	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.02	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-38.9	-169.3	-52.8	0	0	0	0	113.1	A41 T47 L51 L56 C59 M60	A41-C45 WeakPolarHBondContact O-CA 3.11Å; A41-C45 VanDerWaalsContact O-CB 3.23Å; A41-C45 WeakPolarHBondContact O-CB 3.42Å; A41-C45 PolarHBondContact O-N 3.26Å; C45-T47 VanDerWaalsContact C-N 3.32Å; C45-L51 WeakPolarHBondContact O-CD1 3.3Å; C45-L56 HydrophobicContact CB-CD1 3.91Å; C45-C59 WeakPolarHBondContact CA-SG 3.25Å; C45-C59 HydrophobicContact CB-CB 3.87Å; C45-C59 WeakPolarHBondContact CB-SG 3.17Å; C45-C59 WeakPolarHBondContact SG-CB 3.04Å; C45-C59 PolarHBondContact SG-O 2.74Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.25Å; C45-M60 HydrophobicContact CB-SD 3.85Å
46	M	85.9	Confident	82.2	Confident	124 Å²	124	72.8 Å²	72.8	61%	0.611	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.2	-179.4	-62.4	-59.8	-70.1	0	0	113.3	A41	A41-M46 PolarHBondContact O-N 2.69Å
47	T	85	Confident	83.9	Confident	90 Å²	90	71.9 Å²	71.9	55%	0.552	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-16	179.7	62.5	0	0	0	0	112.9	T43 V44 C45 P49	T43-T47 VanDerWaalsContact O-CG2 3.22Å; T43-T47 WeakPolarHBondContact O-CG2 3.42Å; T43-T47 PolarHBondContact O-OG1 3.46Å; V44-T47 PolarHBondContact O-N 3.26Å; V44-T47 PolarHBondContact O-OG1 3.03Å; V44-T47 VanDerWaalsContact O-OG1 3.05Å; C45-T47 VanDerWaalsContact C-N 3.32Å; T47-P49 WeakPolarHBondContact O-CD 3.31Å
48	L	83.3	Confident	85.1	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.094	36%	0.364	C	S	.	.	S	Bend	trans	-82.2	106.2	177.4	-75.2	170.4	0	0	0	110.5	V44 L51 T66 I70	V44-L48 HydrophobicContact CG1-CD1 3.94Å; V44-L48 WeakPolarHBondContact O-CD1 3.15Å; V44-L48 WeakPolarHBondContact O-CG 3.49Å; V44-L48 PolarHBondContact O-N 2.79Å; L48-L51 HydrophobicContact CB-CD1 3.77Å; L48-L51 HydrophobicContact CB-CG 4.22Å; L48-L51 HydrophobicContact CD1-CD1 4.37Å; L48-T66 HydrophobicContact CD1-CG2 4.12Å; L48-I70 HydrophobicContact CD1-CD1 4.32Å; L48-I70 HydrophobicContact CD1-CG1 4.03Å; L48-I70 HydrophobicContact CD2-CD1 4.28Å; L48-I70 HydrophobicContact CD2-CG1 4.14Å
49	P	81.5	Confident	86.3	Confident	64 Å²	64	62.6 Å²	62.6	42%	0.416	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	151.7	175.8	32.8	-36.5	0	0	0	110.8	T47 K99	T47-P49 WeakPolarHBondContact O-CD 3.31Å; P49-K99 HydrophobicContact CG-CG 3.97Å
50	G	79.4	Confident	87	Confident	42 Å²	42	63.7 Å²	63.7	43%	0.433	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.5	171.9	0	0	0	0	0	115.5	T52	G50-T52 PolarHBondContact O-N 3.43Å
51	L	86	Confident	87.6	Confident	32 Å²	32	69.4 Å²	69.4	17%	0.168	35%	0.354	C	S	.	.			trans	-67.5	128.8	171.5	-76.9	171	0	0	0	111.1	C45 L48 Q55 L56 I100 F211	C45-L51 WeakPolarHBondContact O-CD1 3.3Å; L48-L51 HydrophobicContact CB-CD1 3.77Å; L48-L51 HydrophobicContact CB-CG 4.22Å; L48-L51 HydrophobicContact CD1-CD1 4.37Å; L51-Q55 HydrophobicContact CD2-CB 3.56Å; L51-L56 HydrophobicContact CD1-CD1 4.27Å; L51-I100 HydrophobicContact CD2-CD1 3.26Å; L51-I100 HydrophobicContact CG-CD1 3.74Å; L51-F211 HydrophobicContact CD2-CE2 3.74Å; L51-F211 HydrophobicContact CD2-CZ 3.81Å
52	T	87.2	Confident	88.2	Confident	40 Å²	40	69.9 Å²	69.9	25%	0.245	35%	0.353	C	S	.	.			trans	-70.6	160.5	167.5	62.5	0	0	0	0	110.9	G50 R54 Q55 L56 R215	G50-T52 PolarHBondContact O-N 3.43Å; T52-R54 PolarHBondContact O-N 3.24Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-Q55 WeakPolarHBondContact OG1-CB 3.45Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.5Å; T52-Q55 PolarHBondContact OG1-N 2.94Å; T52-Q55 PolarHBondContact OG1-OE1 2.6Å; T52-L56 WeakPolarHBondContact O-CB 3.38Å; T52-L56 PolarHBondContact O-N 3.39Å; T52-R215 HydrophobicContact CG2-CB 4.09Å; T52-R215 HydrophobicContact CG2-CG 3.8Å
53	K	89.1	Confident	88.7	Confident	166 Å²	166	65 Å²	65	72%	0.722	33%	0.328	S	S	*	.	H	α-helix	trans	-50.4	-44.7	177.9	-174.6	-178.9	176.6	-177.7	0	112.7	L56 E57	K53-L56 WeakPolarHBondContact O-CB 3.21Å; K53-L56 PolarHBondContact O-N 3.26Å; K53-E57 WeakPolarHBondContact CE-OE1 3.08Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 2.59Å
54	R	88.9	Confident	89	Confident	151 Å²	151	62.3 Å²	62.3	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-70.8	-36.3	180	-168.5	170	178	-179.9	2.9	112.8	T52 L56 E57 V58 A214	T52-R54 PolarHBondContact O-N 3.24Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-E57 PolarHBondContact O-N 3.4Å; R54-V58 WeakPolarHBondContact O-CG2 3.28Å; R54-V58 PolarHBondContact O-N 2.84Å; R54-V58 VanDerWaalsContact O-N 3.08Å; R54-A214 HydrophobicContact CB-CB 4.02Å; R54-A214 VanDerWaalsContact CD-O 3.31Å; R54-A214 WeakPolarHBondContact CD-O 3.07Å; R54-A214 HydrophobicContact CG-CB 3.76Å
55	Q	90.4	Very high	89.4	Confident	5 Å²	5	61.7 Å²	61.7	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-36.3	173.3	-70.2	173.1	-52.2	0	0	111.9	L51 T52 V58 C59 F211 A214	L51-Q55 HydrophobicContact CD2-CB 3.56Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-Q55 WeakPolarHBondContact OG1-CB 3.45Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.5Å; T52-Q55 PolarHBondContact OG1-N 2.94Å; T52-Q55 PolarHBondContact OG1-OE1 2.6Å; Q55-V58 PolarHBondContact O-N 3.41Å; Q55-C59 WeakPolarHBondContact O-CB 3Å; Q55-C59 PolarHBondContact O-N 3.11Å; Q55-F211 HydrophobicContact CB-CD2 4.41Å; Q55-F211 HydrophobicContact CB-CE2 4.19Å; Q55-F211 VanDerWaalsContact CG-O 3.29Å; Q55-F211 WeakPolarHBondContact CG-O 3.41Å; Q55-F211 PolarHBondContact NE2-O 3.01Å; Q55-A214 HydrophobicContact CG-CB 3.68Å
56	L	91.9	Very high	89.7	Confident	56 Å²	56	61.5 Å²	61.5	29%	0.293	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-44.7	173.2	-176.4	62.5	0	0	0	110.3	C45 L51 T52 K53 R54 V58 C59 M60	C45-L56 HydrophobicContact CB-CD1 3.91Å; L51-L56 HydrophobicContact CD1-CD1 4.27Å; T52-L56 WeakPolarHBondContact O-CB 3.38Å; T52-L56 PolarHBondContact O-N 3.39Å; K53-L56 WeakPolarHBondContact O-CB 3.21Å; K53-L56 PolarHBondContact O-N 3.26Å; R54-L56 VanDerWaalsContact C-N 3.34Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 3.17Å; L56-C59 PolarHBondContact O-N 3.42Å; L56-C59 VanDerWaalsContact O-N 3.16Å; L56-M60 HydrophobicContact CD1-CG 4.13Å; L56-M60 HydrophobicContact CD1-SD 4.34Å; L56-M60 HydrophobicContact CG-CG 4.2Å; L56-M60 WeakPolarHBondContact O-CB 3.28Å; L56-M60 WeakPolarHBondContact O-CG 3.46Å; L56-M60 PolarHBondContact O-N 2.03Å
57	E	92.4	Very high	90	Very high	109 Å²	109	56.8 Å²	56.8	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-57.5	-44.5	173.9	-72.7	165.6	-166.9	0	0	112.4	K53 R54 R61	K53-E57 WeakPolarHBondContact CE-OE1 3.08Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 2.59Å; R54-E57 PolarHBondContact O-N 3.4Å; E57-R61 PolarHBondContact O-N 3.25Å
58	V	93.1	Very high	90.4	Very high	26 Å²	26	53 Å²	53	16%	0.158	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-42.6	175.1	173.6	0	0	0	0	111.2	R54 Q55 L56 R61 N62 F207 D210 F211	R54-V58 WeakPolarHBondContact O-CG2 3.28Å; R54-V58 PolarHBondContact O-N 2.84Å; R54-V58 VanDerWaalsContact O-N 3.08Å; Q55-V58 PolarHBondContact O-N 3.41Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 3.17Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-N62 PolarHBondContact O-N 3.06Å; V58-F207 HydrophobicContact CG1-CE2 3.98Å; V58-F207 HydrophobicContact CG1-CZ 4.32Å; V58-D210 HydrophobicContact CG2-CB 4.46Å; V58-F211 HydrophobicContact CB-CD2 4.43Å; V58-F211 HydrophobicContact CG1-CB 4.19Å; V58-F211 HydrophobicContact CG1-CD2 4.07Å
59	C	93.1	Very high	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-47.4	178.6	-173.3	0	0	0	0	112	C45 Q55 L56 R61 N62 P63 T66	C45-C59 WeakPolarHBondContact CA-SG 3.25Å; C45-C59 HydrophobicContact CB-CB 3.87Å; C45-C59 WeakPolarHBondContact CB-SG 3.17Å; C45-C59 WeakPolarHBondContact SG-CB 3.04Å; C45-C59 PolarHBondContact SG-O 2.74Å; C45-C59 CovalentContact SG-SG 2.03Å; C45-C59 PolarHBondContact SG-SG 3.25Å; Q55-C59 WeakPolarHBondContact O-CB 3Å; Q55-C59 PolarHBondContact O-N 3.11Å; L56-C59 PolarHBondContact O-N 3.42Å; L56-C59 VanDerWaalsContact O-N 3.16Å; C59-R61 PolarHBondContact O-N 3.3Å; C59-N62 CarbonylContact O-C 3.56Å; C59-N62 PolarHBondContact O-N 2.76Å; C59-P63 WeakPolarHBondContact O-CA 3.47Å; C59-P63 WeakPolarHBondContact O-CD 3.35Å; C59-T66 WeakPolarHBondContact CA-OG1 3.08Å; C59-T66 HydrophobicContact CB-CG2 4.19Å; C59-T66 VanDerWaalsContact SG-CG2 3.58Å
60	M	93.3	Very high	91.4	Very high	92 Å²	92	49.8 Å²	49.8	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-30.9	-179.8	-67.4	-62.8	-112.7	0	0	111.6	A41 C45 L56	A41-M60 HydrophobicContact CB-SD 3.68Å; C45-M60 HydrophobicContact CB-SD 3.85Å; L56-M60 HydrophobicContact CD1-CG 4.13Å; L56-M60 HydrophobicContact CD1-SD 4.34Å; L56-M60 HydrophobicContact CG-CG 4.2Å; L56-M60 WeakPolarHBondContact O-CB 3.28Å; L56-M60 WeakPolarHBondContact O-CG 3.46Å; L56-M60 PolarHBondContact O-N 2.03Å
61	R	93.3	Very high	92	Very high	206 Å²	206	53 Å²	53	78%	0.777	25%	0.247	S	C	*	.	H	α-helix	trans	-71.4	-38.8	174.4	-170.3	179.4	-179.7	169.5	3.3	112.9	E57 V58 C59	E57-R61 PolarHBondContact O-N 3.25Å; V58-R61 PolarHBondContact O-N 2.94Å; C59-R61 PolarHBondContact O-N 3.3Å
62	N	93.6	Very high	92.5	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.182	24%	0.239	C	C	.	.			trans	-140.6	77.2	-176.2	-57.4	-69.9	0	0	0	111.3	V58 C59 V65 T66 A140 F207	V58-N62 PolarHBondContact O-N 3.06Å; C59-N62 CarbonylContact O-C 3.56Å; C59-N62 PolarHBondContact O-N 2.76Å; N62-V65 HydrophobicContact CB-CB 3.89Å; N62-V65 HydrophobicContact CB-CG2 3.78Å; N62-T66 PolarHBondContact O-N 3.37Å; N62-T66 PolarHBondContact O-OG1 3.47Å; N62-A140 WeakPolarHBondContact OD1-CB 3.47Å; N62-F207 HydrophobicContact CB-CE2 4.25Å
63	P	93.6	Very high	92.7	Very high	19 Å²	19	49.7 Å²	49.7	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-71.3	-34.6	-175.9	26.8	-34.3	0	0	0	112.9	A41 V44 C59 T66 A67	A41-P63 HydrophobicContact CB-CB 4.32Å; A41-P63 HydrophobicContact CB-CG 4.39Å; V44-P63 HydrophobicContact CB-CB 4.4Å; C59-P63 WeakPolarHBondContact O-CA 3.47Å; C59-P63 WeakPolarHBondContact O-CD 3.35Å; P63-T66 PolarHBondContact O-N 2.99Å; P63-A67 PolarHBondContact O-N 2.9Å
64	D	92.5	Very high	92.9	Very high	18 Å²	18	46 Å²	46	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-45.7	174.5	58.3	-22.5	0	0	0	111.9	L39 T66 A67 S68 L138 K139	L39-D64 HydrophobicContact CB-CB 4.33Å; L39-D64 HydrophobicContact CD1-CB 4.38Å; D64-T66 VanDerWaalsContact C-N 3.32Å; D64-T66 PolarHBondContact O-N 2.54Å; D64-A67 PolarHBondContact O-N 2.86Å; D64-S68 PolarHBondContact O-N 3.32Å; D64-L138 HydrophobicContact CB-CD2 4.08Å; D64-L138 WeakPolarHBondContact O-CD2 3.45Å; D64-K139 PolarHBondContact OD2-N 3.28Å
65	V	95.4	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-39.6	175.9	-171.1	0	0	0	0	110.8	N62 A67 S68 A69 V129 L138 A140 F203 F207	N62-V65 HydrophobicContact CB-CB 3.89Å; N62-V65 HydrophobicContact CB-CG2 3.78Å; V65-A67 VanDerWaalsContact C-N 3.34Å; V65-A67 PolarHBondContact O-N 3.4Å; V65-S68 PolarHBondContact O-N 3.36Å; V65-A69 PolarHBondContact O-N 2.91Å; V65-V129 HydrophobicContact CG1-CG1 3.76Å; V65-V129 HydrophobicContact CG1-CG2 3.99Å; V65-L138 HydrophobicContact CG1-CD1 4.4Å; V65-L138 HydrophobicContact CG2-CD1 4.21Å; V65-L138 HydrophobicContact CG2-CD2 4.32Å; V65-A140 HydrophobicContact CG2-CB 3.77Å; V65-F203 HydrophobicContact CG1-CE1 3.88Å; V65-F203 HydrophobicContact CG1-CZ 4.39Å; V65-F203 HydrophobicContact CG2-CE1 4.16Å; V65-F203 HydrophobicContact CG2-CZ 4.11Å; V65-F207 HydrophobicContact CB-CD2 4.08Å; V65-F207 HydrophobicContact CB-CE2 3.76Å; V65-F207 HydrophobicContact CB-CZ 4.11Å; V65-F207 HydrophobicContact CG1-CB 4.38Å; V65-F207 HydrophobicContact CG1-CD1 3.84Å; V65-F207 HydrophobicContact CG1-CD2 3.37Å; V65-F207 HydrophobicContact CG1-CE1 3.96Å; V65-F207 HydrophobicContact CG1-CE2 3.48Å; V65-F207 VanDerWaalsContact CG1-CE2 3.48Å; V65-F207 HydrophobicContact CG1-CG 3.56Å; V65-F207 HydrophobicContact CG1-CZ 3.78Å
66	T	93.9	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-41.3	177.2	-54.5	0	0	0	0	111.6	V44 L48 C59 N62 P63 D64 S68 A69 I70 F211	V44-T66 HydrophobicContact CG1-CG2 4.38Å; L48-T66 HydrophobicContact CD1-CG2 4.12Å; C59-T66 WeakPolarHBondContact CA-OG1 3.08Å; C59-T66 HydrophobicContact CB-CG2 4.19Å; C59-T66 VanDerWaalsContact SG-CG2 3.58Å; N62-T66 PolarHBondContact O-N 3.37Å; N62-T66 PolarHBondContact O-OG1 3.47Å; P63-T66 PolarHBondContact O-N 2.99Å; D64-T66 VanDerWaalsContact C-N 3.32Å; D64-T66 PolarHBondContact O-N 2.54Å; T66-S68 VanDerWaalsContact C-N 3.34Å; T66-S68 PolarHBondContact O-N 3.29Å; T66-A69 WeakPolarHBondContact O-CB 3.24Å; T66-A69 PolarHBondContact O-N 3.44Å; T66-A69 VanDerWaalsContact O-N 3.12Å; T66-I70 WeakPolarHBondContact O-CG1 3.44Å; T66-I70 PolarHBondContact O-N 3.47Å; T66-F211 HydrophobicContact CG2-CE2 3.82Å; T66-F211 HydrophobicContact CG2-CZ 3.83Å
67	A	92.4	Very high	93.5	Very high	24 Å²	24	39.7 Å²	39.7	20%	0.198	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-44.3	175.4	0	0	0	0	0	112	L39 V44 P63 D64 V65 A69 I70 Q71	L39-A67 HydrophobicContact CD1-CB 3.89Å; L39-A67 HydrophobicContact CD2-CB 3.88Å; L39-A67 HydrophobicContact CG-CB 4.41Å; V44-A67 HydrophobicContact CG1-CB 4.2Å; V44-A67 HydrophobicContact CG2-CB 4.2Å; P63-A67 PolarHBondContact O-N 2.9Å; D64-A67 PolarHBondContact O-N 2.86Å; V65-A67 VanDerWaalsContact C-N 3.34Å; V65-A67 PolarHBondContact O-N 3.4Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-A69 PolarHBondContact O-N 3.25Å; A67-I70 PolarHBondContact O-N 2.75Å; A67-Q71 PolarHBondContact O-N 3.14Å; A67-Q71 VanDerWaalsContact O-N 3.1Å
68	S	95	Very high	93.6	Very high	11 Å²	11	40.3 Å²	40.3	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-35	173.6	-71.9	0	0	0	0	112.9	D64 V65 T66 Q71 G72 A128	D64-S68 PolarHBondContact O-N 3.32Å; V65-S68 PolarHBondContact O-N 3.36Å; T66-S68 VanDerWaalsContact C-N 3.34Å; T66-S68 PolarHBondContact O-N 3.29Å; S68-Q71 WeakPolarHBondContact O-CB 3.13Å; S68-Q71 PolarHBondContact O-N 3.26Å; S68-G72 PolarHBondContact O-N 2.89Å; S68-A128 WeakPolarHBondContact O-CB 3.26Å
69	A	94.4	Very high	93.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-42.2	174.9	0	0	0	0	0	112.4	V65 T66 A67 Q71 G72 I73 V125 V129 F207	V65-A69 PolarHBondContact O-N 2.91Å; T66-A69 WeakPolarHBondContact O-CB 3.24Å; T66-A69 PolarHBondContact O-N 3.44Å; T66-A69 VanDerWaalsContact O-N 3.12Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-A69 PolarHBondContact O-N 3.25Å; A69-Q71 VanDerWaalsContact C-N 3.33Å; A69-Q71 PolarHBondContact O-N 2.7Å; A69-G72 WeakPolarHBondContact O-CA 3.11Å; A69-G72 PolarHBondContact O-N 2.79Å; A69-G72 VanDerWaalsContact O-N 3.11Å; A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 2.95Å; A69-V125 HydrophobicContact CB-CB 4.48Å; A69-V125 HydrophobicContact CB-CG1 3.69Å; A69-V125 HydrophobicContact CB-CG2 4.13Å; A69-V129 HydrophobicContact CB-CG2 4.13Å; A69-F207 HydrophobicContact CB-CD1 4.2Å; A69-F207 HydrophobicContact CB-CE1 3.54Å; A69-F207 HydrophobicContact CB-CZ 4.48Å
70	I	91.4	Very high	93.9	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.077	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-41.7	174.8	-62.5	-56.3	0	0	0	111	L48 T66 A67 G72 I73 Q74 I100 F211	L48-I70 HydrophobicContact CD1-CD1 4.32Å; L48-I70 HydrophobicContact CD1-CG1 4.03Å; L48-I70 HydrophobicContact CD2-CD1 4.28Å; L48-I70 HydrophobicContact CD2-CG1 4.14Å; T66-I70 WeakPolarHBondContact O-CG1 3.44Å; T66-I70 PolarHBondContact O-N 3.47Å; A67-I70 PolarHBondContact O-N 2.75Å; I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.42Å; I70-I73 HydrophobicContact CD1-CD1 4.25Å; I70-I73 WeakPolarHBondContact O-CB 3.47Å; I70-I73 PolarHBondContact O-N 3.41Å; I70-Q74 PolarHBondContact O-N 3.31Å; I70-I100 HydrophobicContact CD1-CG1 4.29Å; I70-F211 HydrophobicContact CD1-CE1 4.5Å
71	Q	92	Very high	94	Very high	108 Å²	108	37.2 Å²	37.2	51%	0.505	18%	0.176	S	C	.	.	H	α-helix	trans	-59.1	-41.6	172.4	-172.8	-178.1	13.2	0	0	111.5	A67 S68 A69 I73 Q74 I75	A67-Q71 PolarHBondContact O-N 3.14Å; A67-Q71 VanDerWaalsContact O-N 3.1Å; S68-Q71 WeakPolarHBondContact O-CB 3.13Å; S68-Q71 PolarHBondContact O-N 3.26Å; A69-Q71 VanDerWaalsContact C-N 3.33Å; A69-Q71 PolarHBondContact O-N 2.7Å; Q71-I73 VanDerWaalsContact C-N 3.33Å; Q71-I73 PolarHBondContact O-N 2.79Å; Q71-Q74 WeakPolarHBondContact O-CB 3.38Å; Q71-Q74 PolarHBondContact O-N 2.81Å; Q71-I75 HydrophobicContact CG-CD1 4.4Å; Q71-I75 WeakPolarHBondContact O-CG1 3.27Å; Q71-I75 PolarHBondContact O-N 2.84Å
72	G	95.1	Very high	94.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-39.4	174.2	0	0	0	0	0	113.8	S68 A69 I70 I75 A76 G124	S68-G72 PolarHBondContact O-N 2.89Å; A69-G72 WeakPolarHBondContact O-CA 3.11Å; A69-G72 PolarHBondContact O-N 2.79Å; A69-G72 VanDerWaalsContact O-N 3.11Å; I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.42Å; G72-I75 PolarHBondContact O-N 3.06Å; G72-A76 WeakPolarHBondContact O-CB 3.42Å; G72-A76 PolarHBondContact O-N 3.04Å; G72-G124 VanDerWaalsContact CA-O 3.3Å; G72-G124 WeakPolarHBondContact CA-O 3.27Å; G72-G124 WeakPolarHBondContact O-CA 3.42Å
73	I	92.6	Very high	94.3	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-39.5	174.3	-68.7	171.1	0	0	0	111.1	A69 I70 Q71 A76 I77 P101 V125 L212	A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 2.95Å; I70-I73 HydrophobicContact CD1-CD1 4.25Å; I70-I73 WeakPolarHBondContact O-CB 3.47Å; I70-I73 PolarHBondContact O-N 3.41Å; Q71-I73 VanDerWaalsContact C-N 3.33Å; Q71-I73 PolarHBondContact O-N 2.79Å; I73-A76 WeakPolarHBondContact O-CB 3.47Å; I73-A76 PolarHBondContact O-N 2.96Å; I73-I77 HydrophobicContact CG2-CD1 3.93Å; I73-I77 HydrophobicContact CG2-CG1 4.5Å; I73-I77 WeakPolarHBondContact O-CG1 3.31Å; I73-I77 PolarHBondContact O-N 3.35Å; I73-P101 HydrophobicContact CG2-CG 3.56Å; I73-V125 HydrophobicContact CD1-CG2 4.14Å; I73-V125 HydrophobicContact CG1-CG2 3.69Å; I73-L212 HydrophobicContact CD1-CD2 4.19Å
74	Q	92	Very high	94.4	Very high	88 Å²	88	28.7 Å²	28.7	41%	0.411	14%	0.142	S	C	.	.	H	α-helix	trans	-64.5	-42.6	176.3	-69.9	176.1	-23.2	0	0	112	I70 Q71 A76 I77 H78	I70-Q74 PolarHBondContact O-N 3.31Å; Q71-Q74 WeakPolarHBondContact O-CB 3.38Å; Q71-Q74 PolarHBondContact O-N 2.81Å; Q74-A76 PolarHBondContact O-N 3.18Å; Q74-I77 PolarHBondContact O-N 3.02Å; Q74-H78 PolarHBondContact O-N 3.33Å
75	I	94.4	Very high	94.4	Very high	61 Å²	61	36 Å²	36	31%	0.313	17%	0.168	S	C	.	.	H	α-helix	trans	-58	-41.9	172.3	-66.2	166.2	0	0	0	110.2	Q71 G72 H78 E79 F266	Q71-I75 HydrophobicContact CG-CD1 4.4Å; Q71-I75 WeakPolarHBondContact O-CG1 3.27Å; Q71-I75 PolarHBondContact O-N 2.84Å; G72-I75 PolarHBondContact O-N 3.06Å; I75-H78 PolarHBondContact O-N 2.91Å; I75-E79 PolarHBondContact O-N 3.24Å; I75-F266 HydrophobicContact CG2-CB 4.28Å; I75-F266 HydrophobicContact CG2-CD1 3.56Å; I75-F266 HydrophobicContact CG2-CD2 4.38Å; I75-F266 HydrophobicContact CG2-CE1 3.96Å; I75-F266 HydrophobicContact CG2-CG 3.79Å
76	A	95.7	Very high	94.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-42.2	176.7	0	0	0	0	0	113.9	G72 I73 Q74 E79 C80 I120 F266	G72-A76 WeakPolarHBondContact O-CB 3.42Å; G72-A76 PolarHBondContact O-N 3.04Å; I73-A76 WeakPolarHBondContact O-CB 3.47Å; I73-A76 PolarHBondContact O-N 2.96Å; Q74-A76 PolarHBondContact O-N 3.18Å; A76-E79 PolarHBondContact O-N 2.52Å; A76-C80 WeakPolarHBondContact O-CB 3.48Å; A76-C80 PolarHBondContact O-N 3.47Å; A76-I120 HydrophobicContact CB-CG1 4.07Å; A76-I120 HydrophobicContact CB-CG2 4.41Å; A76-I120 WeakPolarHBondContact CB-O 3.25Å; A76-F266 HydrophobicContact CB-CE1 4.3Å; A76-F266 HydrophobicContact CB-CZ 4.06Å
77	I	93.2	Very high	94.2	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.087	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-45.1	177.5	-68.3	160.3	0	0	0	110.5	I73 Q74 E79 C80 Q81 L94 P101	I73-I77 HydrophobicContact CG2-CD1 3.93Å; I73-I77 HydrophobicContact CG2-CG1 4.5Å; I73-I77 WeakPolarHBondContact O-CG1 3.31Å; I73-I77 PolarHBondContact O-N 3.35Å; Q74-I77 PolarHBondContact O-N 3.02Å; I77-E79 VanDerWaalsContact C-N 3.32Å; I77-E79 PolarHBondContact O-N 3.2Å; I77-C80 WeakPolarHBondContact O-CB 3.44Å; I77-C80 PolarHBondContact O-N 3.3Å; I77-C80 VanDerWaalsContact O-N 3.14Å; I77-Q81 WeakPolarHBondContact O-CG 3.21Å; I77-Q81 PolarHBondContact O-N 2.92Å; I77-L94 HydrophobicContact CD1-CB 4.49Å; I77-L94 VanDerWaalsContact CD1-O 3.31Å; I77-L94 WeakPolarHBondContact CD1-O 3.34Å; I77-L94 HydrophobicContact CG1-CB 4.1Å; I77-L94 HydrophobicContact CG2-CB 4.16Å; I77-P101 HydrophobicContact CD1-CB 4.44Å
78	H	94.5	Very high	94.3	Very high	122 Å²	122	40.1 Å²	40.1	57%	0.565	18%	0.184	S	C	*	.	H	α-helix	trans	-62.5	-40.1	177.9	-176.3	-96.6	0	0	0	111.9	Q74 I75 Q81 H82	Q74-H78 PolarHBondContact O-N 3.33Å; I75-H78 PolarHBondContact O-N 2.91Å; H78-Q81 PolarHBondContact O-N 2.92Å; H78-H82 WeakPolarHBondContact O-CB 3.19Å; H78-H82 PolarHBondContact O-N 3.09Å
79	E	97.6	Very high	94.2	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-68.5	-36	174.2	-173.6	54.6	-146.5	0	0	112.2	I75 A76 I77 H82 Q83 I120 F266 R267	I75-E79 PolarHBondContact O-N 3.24Å; A76-E79 PolarHBondContact O-N 2.52Å; I77-E79 VanDerWaalsContact C-N 3.32Å; I77-E79 PolarHBondContact O-N 3.2Å; E79-H82 WeakPolarHBondContact O-CB 3.46Å; E79-H82 PolarHBondContact O-N 2.78Å; E79-H82 IonicContact OE1-ND1 3.87Å; E79-H82 PolarHBondContact OE1-ND1 2.66Å; E79-Q83 HydrophobicContact CG-CG 4.42Å; E79-Q83 VanDerWaalsContact O-CG 3.3Å; E79-Q83 WeakPolarHBondContact O-CG 3.47Å; E79-Q83 PolarHBondContact O-N 3.34Å; E79-Q83 WeakPolarHBondContact OE1-CG 2.99Å; E79-Q83 PolarHBondContact OE1-NE2 3.16Å; E79-I120 HydrophobicContact CG-CD1 4.37Å; E79-F266 HydrophobicContact CB-CD1 3.7Å; E79-F266 HydrophobicContact CB-CE1 3.61Å; E79-F266 HydrophobicContact CG-CD1 3.87Å; E79-F266 HydrophobicContact CG-CE1 3.94Å; E79-R267 VanDerWaalsContact OE1-CD 3.26Å; E79-R267 WeakPolarHBondContact OE1-CD 3.22Å; E79-R267 IonicContact OE1-NE 3.41Å; E79-R267 PolarHBondContact OE1-NE 2.54Å; E79-R267 IonicContact OE2-CZ 3.87Å; E79-R267 IonicContact OE2-NE 3.42Å; E79-R267 PolarHBondContact OE2-NE 3.39Å; E79-R267 IonicContact OE2-NH2 3.79Å; E79-R267 PolarHBondContact OE2-NH2 3.43Å
80	C	96.4	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-48.2	173	-177.3	0	0	0	0	111.4	A76 I77 H82 Q83 F84 C91 F116 I120	A76-C80 WeakPolarHBondContact O-CB 3.48Å; A76-C80 PolarHBondContact O-N 3.47Å; I77-C80 WeakPolarHBondContact O-CB 3.44Å; I77-C80 PolarHBondContact O-N 3.3Å; I77-C80 VanDerWaalsContact O-N 3.14Å; C80-H82 VanDerWaalsContact C-N 3.29Å; C80-H82 PolarHBondContact O-N 2.83Å; C80-Q83 PolarHBondContact O-N 3.27Å; C80-F84 WeakPolarHBondContact O-CB 3.1Å; C80-F84 WeakPolarHBondContact O-CD2 3.31Å; C80-F84 PolarHBondContact O-N 2.87Å; C80-C91 HydrophobicContact CB-CB 3.91Å; C80-C91 WeakPolarHBondContact CB-SG 3.2Å; C80-C91 WeakPolarHBondContact SG-CB 3.32Å; C80-C91 CovalentContact SG-SG 2.03Å; C80-C91 PolarHBondContact SG-SG 3.1Å; C80-F116 HydrophobicContact CB-CE1 4.05Å; C80-I120 HydrophobicContact CB-CG2 4.35Å
81	Q	95.1	Very high	94.1	Very high	45 Å²	45	41.5 Å²	41.5	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-41.5	173.8	-69.3	173.6	-22.5	0	0	111.2	I77 H78 F84 R85 C91 E95	I77-Q81 WeakPolarHBondContact O-CG 3.21Å; I77-Q81 PolarHBondContact O-N 2.92Å; H78-Q81 PolarHBondContact O-N 2.92Å; Q81-F84 CarbonylContact O-C 3.09Å; Q81-F84 PolarHBondContact O-N 3.38Å; Q81-R85 WeakPolarHBondContact O-CA 3.16Å; Q81-R85 WeakPolarHBondContact O-CB 3.38Å; Q81-R85 PolarHBondContact O-N 2.04Å; Q81-C91 HydrophobicContact CG-CB 4.1Å; Q81-E95 PolarHBondContact NE2-OE2 3.39Å
82	H	96.4	Very high	93.9	Very high	51 Å²	51	38.5 Å²	38.5	24%	0.236	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-47	176.3	173.3	-88.4	0	0	0	112.6	H78 E79 C80 F84 R85 R267	H78-H82 WeakPolarHBondContact O-CB 3.19Å; H78-H82 PolarHBondContact O-N 3.09Å; E79-H82 WeakPolarHBondContact O-CB 3.46Å; E79-H82 PolarHBondContact O-N 2.78Å; E79-H82 IonicContact OE1-ND1 3.87Å; E79-H82 PolarHBondContact OE1-ND1 2.66Å; C80-H82 VanDerWaalsContact C-N 3.29Å; C80-H82 PolarHBondContact O-N 2.83Å; H82-F84 VanDerWaalsContact C-N 3.3Å; H82-F84 PolarHBondContact O-N 2.8Å; H82-R85 PolarHBondContact CD2-NH1 3.2Å; H82-R85 PolarHBondContact NE2-NH1 2.04Å; H82-R85 WeakPolarHBondContact O-CG 3.24Å; H82-R85 PolarHBondContact O-NH1 3.31Å; H82-R267 PolarHBondContact CE1-NE 2.9Å; H82-R267 VanDerWaalsContact CE1-NE 3.33Å; H82-R267 PolarHBondContact CE1-NH1 3.02Å; H82-R267 PolarHBondContact ND1-NE 2.88Å; H82-R267 PolarHBondContact NE2-NH1 3.15Å
83	Q	97.2	Very high	93.2	Very high	29 Å²	29	40.1 Å²	40.1	14%	0.136	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-27.7	-180	-67.5	-66.6	-23	0	0	112.8	E79 C80 F116 S271 K274	E79-Q83 HydrophobicContact CG-CG 4.42Å; E79-Q83 VanDerWaalsContact O-CG 3.3Å; E79-Q83 WeakPolarHBondContact O-CG 3.47Å; E79-Q83 PolarHBondContact O-N 3.34Å; E79-Q83 WeakPolarHBondContact OE1-CG 2.99Å; E79-Q83 PolarHBondContact OE1-NE2 3.16Å; C80-Q83 PolarHBondContact O-N 3.27Å; Q83-F116 HydrophobicContact CB-CZ 4.34Å; Q83-F116 HydrophobicContact CG-CZ 4.36Å; Q83-S271 PolarHBondContact NE2-OG 3.27Å; Q83-K274 HydrophobicContact CB-CD 4.46Å
84	F	95.4	Very high	92.8	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-110.9	10.4	-175.6	-74.8	-97.9	0	0	0	114.3	C80 Q81 H82 G86 H87 W89 F116 K274 F277	C80-F84 WeakPolarHBondContact O-CB 3.1Å; C80-F84 WeakPolarHBondContact O-CD2 3.31Å; C80-F84 PolarHBondContact O-N 2.87Å; Q81-F84 CarbonylContact O-C 3.09Å; Q81-F84 PolarHBondContact O-N 3.38Å; H82-F84 VanDerWaalsContact C-N 3.3Å; H82-F84 PolarHBondContact O-N 2.8Å; F84-G86 PolarHBondContact O-N 2.83Å; F84-H87 HydrophobicContact CB-CB 4.35Å; F84-H87 HydrophobicContact CD1-CB 3.84Å; F84-H87 AromaticContact CD1-CD2 3.91Å; F84-H87 AromaticContact CD1-CG 3.79Å; F84-H87 PolarHBondContact O-N 2.66Å; F84-W89 HydrophobicContact CB-CE3 4.5Å; F84-W89 AromaticContact CD1-CE3 3.61Å; F84-W89 HydrophobicContact CD1-CE3 3.61Å; F84-W89 AromaticContact CD1-CZ3 3.89Å; F84-W89 HydrophobicContact CD1-CZ3 3.89Å; F84-W89 HydrophobicContact CD2-CZ3 4.09Å; F84-W89 AromaticContact CE1-CE3 3.85Å; F84-W89 HydrophobicContact CE1-CE3 3.85Å; F84-W89 AromaticContact CE1-CZ3 3.92Å; F84-W89 HydrophobicContact CE1-CZ3 3.92Å; F84-W89 HydrophobicContact CE2-CZ3 4.16Å; F84-W89 HydrophobicContact CG-CE3 4Å; F84-W89 AromaticContact CG-CZ3 3.96Å; F84-W89 HydrophobicContact CG-CZ3 3.96Å; F84-W89 HydrophobicContact CZ-CE3 4.45Å; F84-W89 HydrophobicContact CZ-CZ3 4.06Å; F84-F116 HydrophobicContact CD2-CD1 4.38Å; F84-F116 HydrophobicContact CD2-CE1 4.09Å; F84-F116 HydrophobicContact CD2-CZ 4.48Å; F84-F116 AromaticContact CE2-CD1 3.54Å; F84-F116 HydrophobicContact CE2-CD1 3.54Å; F84-F116 HydrophobicContact CE2-CD2 4.16Å; F84-F116 AromaticContact CE2-CE1 3.53Å; F84-F116 HydrophobicContact CE2-CE1 3.53Å; F84-F116 HydrophobicContact CE2-CE2 4.12Å; F84-F116 AromaticContact CE2-CG 3.88Å; F84-F116 HydrophobicContact CE2-CG 3.88Å; F84-F116 AromaticContact CE2-CZ 3.83Å; F84-F116 HydrophobicContact CE2-CZ 3.83Å; F84-F116 HydrophobicContact CZ-CD1 4.18Å; F84-F116 HydrophobicContact CZ-CG 4.17Å; F84-K274 HydrophobicContact CE2-CD 3.96Å; F84-K274 HydrophobicContact CZ-CD 4.04Å; F84-F277 HydrophobicContact CE1-CD1 4.32Å; F84-F277 AromaticContact CE1-CE1 3.7Å; F84-F277 HydrophobicContact CE1-CE1 3.7Å; F84-F277 AromaticContact CE1-CE2 3.91Å; F84-F277 HydrophobicContact CE1-CE2 3.91Å; F84-F277 AromaticContact CE1-CZ 3.46Å; F84-F277 HydrophobicContact CE1-CZ 3.46Å; F84-F277 VanDerWaalsContact CE1-CZ 3.46Å; F84-F277 AromaticContact CZ-CD1 3.94Å; F84-F277 HydrophobicContact CZ-CD1 3.94Å; F84-F277 AromaticContact CZ-CD2 3.9Å; F84-F277 HydrophobicContact CZ-CD2 3.9Å; F84-F277 AromaticContact CZ-CE1 3.79Å; F84-F277 HydrophobicContact CZ-CE1 3.79Å; F84-F277 AromaticContact CZ-CE2 3.73Å; F84-F277 HydrophobicContact CZ-CE2 3.73Å; F84-F277 AromaticContact CZ-CG 3.99Å; F84-F277 HydrophobicContact CZ-CG 3.99Å; F84-F277 AromaticContact CZ-CZ 3.67Å; F84-F277 HydrophobicContact CZ-CZ 3.67Å
85	R	92.9	Very high	92.2	Very high	170 Å²	170	41.9 Å²	41.9	64%	0.642	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.1	-178.2	67.1	177	178.7	-113.7	8.4	114.6	Q81 H82 R350	Q81-R85 WeakPolarHBondContact O-CA 3.16Å; Q81-R85 WeakPolarHBondContact O-CB 3.38Å; Q81-R85 PolarHBondContact O-N 2.04Å; H82-R85 PolarHBondContact CD2-NH1 3.2Å; H82-R85 PolarHBondContact NE2-NH1 2.04Å; H82-R85 WeakPolarHBondContact O-CG 3.24Å; H82-R85 PolarHBondContact O-NH1 3.31Å; R85-R350 PolarHBondContact O-NH2 2.8Å
86	G	91.4	Very high	91	Very high	14 Å²	14	41 Å²	41	14%	0.144	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.3	179.3	0	0	0	0	0	115	F84 M359 D360	F84-G86 PolarHBondContact O-N 2.83Å; G86-M359 CarbonylContact O-C 3.54Å; G86-D360 WeakPolarHBondContact O-CA 3.21Å; G86-D360 PolarHBondContact O-N 2.89Å; G86-D360 VanDerWaalsContact O-N 3.08Å
87	H	93.7	Very high	89.4	Confident	32 Å²	32	51.6 Å²	51.6	15%	0.148	24%	0.238	C	C	.	.	S	Bend	trans	-97.3	153.5	179.4	-72.4	57.2	0	0	0	110.4	F84 W89 K274 R350 M359	F84-H87 HydrophobicContact CB-CB 4.35Å; F84-H87 HydrophobicContact CD1-CB 3.84Å; F84-H87 AromaticContact CD1-CD2 3.91Å; F84-H87 AromaticContact CD1-CG 3.79Å; F84-H87 PolarHBondContact O-N 2.66Å; H87-W89 VanDerWaalsContact C-N 3.33Å; H87-W89 VanDerWaalsContact CB-O 3.31Å; H87-W89 WeakPolarHBondContact CB-O 3.41Å; H87-W89 CarbonylContact O-C 3.1Å; H87-W89 PolarHBondContact O-N 3.43Å; H87-K274 PolarHBondContact CE1-NZ 3.42Å; H87-K274 PolarHBondContact NE2-NZ 3.35Å; H87-R350 PolarHBondContact O-NH1 2.96Å; H87-R350 PolarHBondContact O-NH2 3.42Å; H87-M359 PolarHBondContact CD2-SD 2.8Å
88	R	94.2	Very high	87.8	Confident	66 Å²	66	55.8 Å²	55.8	25%	0.249	26%	0.26	C	S	.	.	S	Bend	trans	-55.4	-44.9	177.6	-60.1	-179.4	-173.4	161.4	0.6	112.5	D334 F335 T347 R350 S364 L365	R88-D334 WeakPolarHBondContact CD-O 3.03Å; R88-D334 PolarHBondContact NH1-O 3.19Å; R88-F335 HydrophobicContact CB-CB 3.83Å; R88-T347 HydrophobicContact CB-CG2 3.85Å; R88-T347 HydrophobicContact CG-CG2 3.99Å; R88-R350 PolarHBondContact O-NH1 3.45Å; R88-S364 VanDerWaalsContact CZ-O 3.29Å; R88-S364 PolarHBondContact NE-O 3.25Å; R88-S364 PolarHBondContact NH2-O 3.46Å; R88-L365 HydrophobicContact CG-CD1 4.27Å
89	W	93.4	Very high	86.4	Confident	11 Å²	11	55.5 Å²	55.5	4%	0.042	26%	0.258	C	S	.	.	S	Bend	trans	-85.5	118.4	161.9	-177.9	80.9	0	0	0	109.8	F84 H87 C91 L94 V106 E113 F335	F84-W89 HydrophobicContact CB-CE3 4.5Å; F84-W89 AromaticContact CD1-CE3 3.61Å; F84-W89 HydrophobicContact CD1-CE3 3.61Å; F84-W89 AromaticContact CD1-CZ3 3.89Å; F84-W89 HydrophobicContact CD1-CZ3 3.89Å; F84-W89 HydrophobicContact CD2-CZ3 4.09Å; F84-W89 AromaticContact CE1-CE3 3.85Å; F84-W89 HydrophobicContact CE1-CE3 3.85Å; F84-W89 AromaticContact CE1-CZ3 3.92Å; F84-W89 HydrophobicContact CE1-CZ3 3.92Å; F84-W89 HydrophobicContact CE2-CZ3 4.16Å; F84-W89 HydrophobicContact CG-CE3 4Å; F84-W89 AromaticContact CG-CZ3 3.96Å; F84-W89 HydrophobicContact CG-CZ3 3.96Å; F84-W89 HydrophobicContact CZ-CE3 4.45Å; F84-W89 HydrophobicContact CZ-CZ3 4.06Å; H87-W89 VanDerWaalsContact C-N 3.33Å; H87-W89 VanDerWaalsContact CB-O 3.31Å; H87-W89 WeakPolarHBondContact CB-O 3.41Å; H87-W89 CarbonylContact O-C 3.1Å; H87-W89 PolarHBondContact O-N 3.43Å; W89-C91 HydrophobicContact CH2-CB 3.95Å; W89-C91 HydrophobicContact CZ2-CB 4.16Å; W89-C91 HydrophobicContact CZ3-CB 4.22Å; W89-L94 HydrophobicContact CZ2-CD1 4.5Å; W89-V106 HydrophobicContact CZ2-CG1 4.49Å; W89-V106 HydrophobicContact CZ2-CG2 4.2Å; W89-E113 HydrophobicContact CB-CG 4.23Å; W89-E113 HydrophobicContact CD2-CB 3.85Å; W89-E113 HydrophobicContact CD2-CG 3.6Å; W89-E113 HydrophobicContact CE3-CB 3.74Å; W89-E113 HydrophobicContact CE3-CG 3.4Å; W89-E113 VanDerWaalsContact CE3-CG 3.4Å; W89-E113 HydrophobicContact CG-CG 3.99Å; W89-E113 HydrophobicContact CH2-CB 4Å; W89-E113 HydrophobicContact CZ2-CB 4.12Å; W89-E113 HydrophobicContact CZ3-CB 3.82Å; W89-E113 HydrophobicContact CZ3-CG 3.93Å; W89-F335 HydrophobicContact CB-CB 4.43Å; W89-F335 HydrophobicContact CB-CD1 3.95Å; W89-F335 HydrophobicContact CB-CD2 3.86Å; W89-F335 HydrophobicContact CB-CE1 4.07Å; W89-F335 HydrophobicContact CB-CE2 3.96Å; W89-F335 HydrophobicContact CB-CG 3.83Å; W89-F335 HydrophobicContact CB-CZ 4.06Å; W89-F335 AromaticContact CD1-CE1 3.7Å; W89-F335 HydrophobicContact CG-CD1 4.33Å; W89-F335 HydrophobicContact CG-CE1 4.09Å; W89-F335 HydrophobicContact CG-CZ 4.19Å
90	N	92.3	Very high	85	Confident	44 Å²	44	55.4 Å²	55.4	24%	0.235	26%	0.257	C	S	.	.			trans	-113.9	14.4	-173.6	71.3	-10.2	0	0	0	114	S92	N90-S92 PolarHBondContact O-N 3.25Å; N90-S92 VanDerWaalsContact O-N 3.12Å; N90-S92 WeakPolarHBondContact OD1-CB 3.04Å; N90-S92 PolarHBondContact OD1-N 3.32Å; N90-S92 VanDerWaalsContact OD1-N 3.16Å; N90-S92 PolarHBondContact OD1-OG 3.3Å
91	C	91.4	Very high	83.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	65.2	9.4	178.9	-149	0	0	0	0	115.6	C80 Q81 W89 S93 L94	C80-C91 HydrophobicContact CB-CB 3.91Å; C80-C91 WeakPolarHBondContact CB-SG 3.2Å; C80-C91 WeakPolarHBondContact SG-CB 3.32Å; C80-C91 CovalentContact SG-SG 2.03Å; C80-C91 PolarHBondContact SG-SG 3.1Å; Q81-C91 HydrophobicContact CG-CB 4.1Å; W89-C91 HydrophobicContact CH2-CB 3.95Å; W89-C91 HydrophobicContact CZ2-CB 4.16Å; W89-C91 HydrophobicContact CZ3-CB 4.22Å; C91-S93 VanDerWaalsContact C-N 3.28Å; C91-S93 PolarHBondContact O-N 3.41Å; C91-L94 PolarHBondContact O-N 3.2Å; C91-L94 WeakPolarHBondContact SG-CD1 3.36Å
92	S	86.4	Confident	82.3	Confident	45 Å²	45	53.7 Å²	53.7	32%	0.315	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-62.2	-32.8	-179.3	53.2	0	0	0	0	113.6	N90 L94 E95	N90-S92 PolarHBondContact O-N 3.25Å; N90-S92 VanDerWaalsContact O-N 3.12Å; N90-S92 WeakPolarHBondContact OD1-CB 3.04Å; N90-S92 PolarHBondContact OD1-N 3.32Å; N90-S92 VanDerWaalsContact OD1-N 3.16Å; N90-S92 PolarHBondContact OD1-OG 3.3Å; S92-L94 PolarHBondContact O-N 2.91Å; S92-E95 WeakPolarHBondContact O-CB 3.18Å; S92-E95 PolarHBondContact O-N 3.43Å; S92-E95 VanDerWaalsContact O-N 3.17Å
93	S	81.6	Confident	80.8	Confident	34 Å²	34	55.1 Å²	55.1	24%	0.238	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-64.5	-19.4	177.5	55.3	0	0	0	0	114.6	C91 E95 D343	C91-S93 VanDerWaalsContact C-N 3.28Å; C91-S93 PolarHBondContact O-N 3.41Å; S93-E95 VanDerWaalsContact C-N 3.3Å; S93-D343 WeakPolarHBondContact CB-OD1 3.19Å; S93-D343 WeakPolarHBondContact CB-OD2 3.49Å; S93-D343 PolarHBondContact OG-OD1 3.01Å; S93-D343 PolarHBondContact OG-OD2 2.89Å
94	L	83.9	Confident	79.7	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-80.7	-13.7	177.9	-60.3	-164.4	0	0	0	113	I77 W89 C91 S92 T96 S104 V106 F107 A117	I77-L94 HydrophobicContact CD1-CB 4.49Å; I77-L94 VanDerWaalsContact CD1-O 3.31Å; I77-L94 WeakPolarHBondContact CD1-O 3.34Å; I77-L94 HydrophobicContact CG1-CB 4.1Å; I77-L94 HydrophobicContact CG2-CB 4.16Å; W89-L94 HydrophobicContact CZ2-CD1 4.5Å; C91-L94 PolarHBondContact O-N 3.2Å; C91-L94 WeakPolarHBondContact SG-CD1 3.36Å; S92-L94 PolarHBondContact O-N 2.91Å; L94-T96 PolarHBondContact O-N 2.76Å; L94-S104 WeakPolarHBondContact CD2-OG 3.37Å; L94-V106 HydrophobicContact CD2-CG1 3.31Å; L94-V106 HydrophobicContact CG-CG1 4.34Å; L94-F107 HydrophobicContact CD1-CE2 3.96Å; L94-F107 HydrophobicContact CD1-CZ 4.17Å; L94-F107 HydrophobicContact CD2-CD2 3.95Å; L94-F107 HydrophobicContact CD2-CE2 3.49Å; L94-F107 VanDerWaalsContact CD2-CE2 3.49Å; L94-F107 HydrophobicContact CD2-CZ 4.46Å; L94-F107 HydrophobicContact CG-CE2 4.36Å; L94-A117 HydrophobicContact CD1-CB 3.84Å
95	E	79.8	Confident	78.9	Confident	125 Å²	125	57.4 Å²	57.4	58%	0.584	27%	0.272	S	S	*	.			trans	-70.8	94.7	-179.8	-167	172.3	174.4	0	0	110.3	Q81 S92 S93	Q81-E95 PolarHBondContact NE2-OE2 3.39Å; S92-E95 WeakPolarHBondContact O-CB 3.18Å; S92-E95 PolarHBondContact O-N 3.43Å; S92-E95 VanDerWaalsContact O-N 3.17Å; S93-E95 VanDerWaalsContact C-N 3.3Å
96	T	68.5	Low	78.4	Confident	43 Å²	43	49.3 Å²	49.3	26%	0.264	24%	0.242	S	C	.	.			trans	-125.4	119.2	176.6	54.9	0	0	0	0	109.3	L94 N98	L94-T96 PolarHBondContact O-N 2.76Å; T96-N98 PolarHBondContact O-N 3.11Å
97	R	62	Low	78.1	Confident	224 Å²	224	48.8 Å²	48.8	85%	0.845	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	118.6	178	-66	-176.2	-177.9	178.3	0.5	109.1	K99	R97-K99 PolarHBondContact O-N 3.24Å; R97-K99 VanDerWaalsContact O-N 3.15Å
98	N	59.1	Low	77.8	Confident	104 Å²	104	53 Å²	53	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	25	176.8	-58	-16.6	0	0	0	115.4	T96	T96-N98 PolarHBondContact O-N 3.11Å
99	K	66	Low	77.6	Confident	117 Å²	117	54.5 Å²	54.5	51%	0.509	26%	0.259	S	S	.	.	S	Bend	trans	-112.2	151.2	172.5	-54.6	-173.3	178.5	179.8	0	110.1	P49 R97	P49-K99 HydrophobicContact CG-CG 3.97Å; R97-K99 PolarHBondContact O-N 3.24Å; R97-K99 VanDerWaalsContact O-N 3.15Å
100	I	68.3	Low	77.5	Confident	5 Å²	5	54 Å²	54	3%	0.026	26%	0.257	C	S	.	.			trans	-73.7	124.9	170	-59.4	176.8	0	0	0	106.7	L51 I70 Y102 F211	L51-I100 HydrophobicContact CD2-CD1 3.26Å; L51-I100 HydrophobicContact CG-CD1 3.74Å; I70-I100 HydrophobicContact CD1-CG1 4.29Å; I100-Y102 HydrophobicContact CG2-CD2 3.32Å; I100-Y102 HydrophobicContact CG2-CE2 4.07Å; I100-Y102 HydrophobicContact CG2-CG 4.06Å; I100-Y102 PolarHBondContact O-N 2.84Å; I100-F211 HydrophobicContact CD1-CZ 4.15Å
101	P	65.8	Low	77.6	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.013	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.3	-9.7	-170.1	30.9	-38.9	0	0	0	112.7	I73 I77 D103 S104 F107	I73-P101 HydrophobicContact CG2-CG 3.56Å; I77-P101 HydrophobicContact CD1-CB 4.44Å; P101-D103 PolarHBondContact O-N 3Å; P101-D103 VanDerWaalsContact O-N 3.09Å; P101-S104 VanDerWaalsContact O-CB 3.31Å; P101-S104 WeakPolarHBondContact O-CB 3.31Å; P101-S104 PolarHBondContact O-N 2.95Å; P101-S104 PolarHBondContact O-OG 3.43Å; P101-F107 HydrophobicContact CB-CD2 4.42Å; P101-F107 HydrophobicContact CB-CE2 3.74Å; P101-F107 HydrophobicContact CB-CZ 4.44Å; P101-F107 HydrophobicContact CG-CE2 4.2Å; P101-F107 HydrophobicContact CG-CZ 4.45Å; P101-F107 WeakPolarHBondContact O-CD2 3.28Å; P101-F107 WeakPolarHBondContact O-CE2 3.06Å
102	Y	67.9	Low	77.8	Confident	8 Å²	8	55.1 Å²	55.1	3%	0.031	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.3	-5.5	178.8	-62	-51.4	0	0	0	116.2	I100 F107 Y118 L212	I100-Y102 HydrophobicContact CG2-CD2 3.32Å; I100-Y102 HydrophobicContact CG2-CE2 4.07Å; I100-Y102 HydrophobicContact CG2-CG 4.06Å; I100-Y102 PolarHBondContact O-N 2.84Å; Y102-F107 HydrophobicContact CD1-CB 4.33Å; Y102-F107 AromaticContact CD1-CD1 3.67Å; Y102-F107 HydrophobicContact CD1-CD1 3.67Å; Y102-F107 HydrophobicContact CD1-CD2 4.31Å; Y102-F107 AromaticContact CD1-CE1 3.9Å; Y102-F107 HydrophobicContact CD1-CE1 3.9Å; Y102-F107 AromaticContact CD1-CG 3.84Å; Y102-F107 HydrophobicContact CD1-CG 3.84Å; Y102-F107 HydrophobicContact CD1-CZ 4.35Å; Y102-F107 AromaticContact CE1-CD1 3.88Å; Y102-F107 HydrophobicContact CE1-CD1 3.88Å; Y102-F107 AromaticContact CE1-CE1 3.7Å; Y102-F107 HydrophobicContact CE1-CE1 3.7Å; Y102-F107 HydrophobicContact CE1-CG 4.47Å; Y102-F107 HydrophobicContact CE1-CZ 4.24Å; Y102-Y118 HydrophobicContact CD1-CD1 4.22Å; Y102-Y118 AromaticContact CD1-CE1 3.61Å; Y102-Y118 HydrophobicContact CD1-CE1 3.61Å; Y102-Y118 AromaticContact CE1-CD1 3.54Å; Y102-Y118 HydrophobicContact CE1-CD1 3.54Å; Y102-Y118 AromaticContact CE1-CE1 3.37Å; Y102-Y118 HydrophobicContact CE1-CE1 3.37Å; Y102-L212 HydrophobicContact CE2-CB 4.27Å; Y102-L212 HydrophobicContact CE2-CD2 3.58Å; Y102-L212 HydrophobicContact CE2-CG 4.44Å; Y102-L212 WeakPolarHBondContact OH-CD2 3.48Å
103	D	65.9	Low	78.2	Confident	81 Å²	81	53.6 Å²	53.6	43%	0.433	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-84.6	-13.8	167.8	-76.8	-21.2	0	0	0	113.1	P101	P101-D103 PolarHBondContact O-N 3Å; P101-D103 VanDerWaalsContact O-N 3.09Å
104	S	74.4	Confident	78.8	Confident	17 Å²	17	52 Å²	52	12%	0.119	24%	0.235	C	C	.	.	S	Bend	trans	-67.7	155.1	177.7	91.2	0	0	0	0	111.5	L94 P101 V106 F107	L94-S104 WeakPolarHBondContact CD2-OG 3.37Å; P101-S104 VanDerWaalsContact O-CB 3.31Å; P101-S104 WeakPolarHBondContact O-CB 3.31Å; P101-S104 PolarHBondContact O-N 2.95Å; P101-S104 PolarHBondContact O-OG 3.43Å; S104-V106 WeakPolarHBondContact OG-CG1 3.43Å; S104-F107 PolarHBondContact O-N 3.11Å; S104-F107 WeakPolarHBondContact OG-CD2 3.47Å
105	I	78.3	Confident	79.4	Confident	60 Å²	60	51.9 Å²	51.9	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-71.4	-36.7	-168.7	-65.4	172.1	0	0	0	110.5	F107 K108 R109 L340 S341 D343	I105-F107 PolarHBondContact O-N 2.8Å; I105-K108 WeakPolarHBondContact O-CA 3.46Å; I105-K108 WeakPolarHBondContact O-CB 3.02Å; I105-K108 PolarHBondContact O-N 2.89Å; I105-R109 PolarHBondContact O-N 3.19Å; I105-L340 WeakPolarHBondContact CD1-O 3.17Å; I105-S341 WeakPolarHBondContact CG2-O 3.41Å; I105-D343 HydrophobicContact CB-CB 3.98Å; I105-D343 HydrophobicContact CG2-CB 4.2Å
106	V	82.5	Confident	80.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-34.8	175.2	66	0	0	0	0	112.1	W89 L94 S104 K108 R109 E113 S114 D343	W89-V106 HydrophobicContact CZ2-CG1 4.49Å; W89-V106 HydrophobicContact CZ2-CG2 4.2Å; L94-V106 HydrophobicContact CD2-CG1 3.31Å; L94-V106 HydrophobicContact CG-CG1 4.34Å; S104-V106 WeakPolarHBondContact OG-CG1 3.43Å; V106-K108 VanDerWaalsContact C-N 3.28Å; V106-K108 PolarHBondContact O-N 3.08Å; V106-R109 PolarHBondContact O-N 2.82Å; V106-E113 HydrophobicContact CG2-CB 4.26Å; V106-S114 WeakPolarHBondContact CG2-OG 3.31Å; V106-S114 WeakPolarHBondContact O-CB 3.36Å; V106-S114 PolarHBondContact O-OG 2.99Å; V106-D343 HydrophobicContact CB-CB 3.99Å; V106-D343 VanDerWaalsContact CB-OD2 3.24Å; V106-D343 WeakPolarHBondContact CB-OD2 3.44Å; V106-D343 WeakPolarHBondContact CG1-OD2 3Å
107	F	85.6	Confident	81.6	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-70.7	-23.9	175.8	-75.9	-70.3	0	0	0	112.8	L94 P101 Y102 S104 I105 R109 A117 Y118 H222	L94-F107 HydrophobicContact CD1-CE2 3.96Å; L94-F107 HydrophobicContact CD1-CZ 4.17Å; L94-F107 HydrophobicContact CD2-CD2 3.95Å; L94-F107 HydrophobicContact CD2-CE2 3.49Å; L94-F107 VanDerWaalsContact CD2-CE2 3.49Å; L94-F107 HydrophobicContact CD2-CZ 4.46Å; L94-F107 HydrophobicContact CG-CE2 4.36Å; P101-F107 HydrophobicContact CB-CD2 4.42Å; P101-F107 HydrophobicContact CB-CE2 3.74Å; P101-F107 HydrophobicContact CB-CZ 4.44Å; P101-F107 HydrophobicContact CG-CE2 4.2Å; P101-F107 HydrophobicContact CG-CZ 4.45Å; P101-F107 WeakPolarHBondContact O-CD2 3.28Å; P101-F107 WeakPolarHBondContact O-CE2 3.06Å; Y102-F107 HydrophobicContact CD1-CB 4.33Å; Y102-F107 AromaticContact CD1-CD1 3.67Å; Y102-F107 HydrophobicContact CD1-CD1 3.67Å; Y102-F107 HydrophobicContact CD1-CD2 4.31Å; Y102-F107 AromaticContact CD1-CE1 3.9Å; Y102-F107 HydrophobicContact CD1-CE1 3.9Å; Y102-F107 AromaticContact CD1-CG 3.84Å; Y102-F107 HydrophobicContact CD1-CG 3.84Å; Y102-F107 HydrophobicContact CD1-CZ 4.35Å; Y102-F107 AromaticContact CE1-CD1 3.88Å; Y102-F107 HydrophobicContact CE1-CD1 3.88Å; Y102-F107 AromaticContact CE1-CE1 3.7Å; Y102-F107 HydrophobicContact CE1-CE1 3.7Å; Y102-F107 HydrophobicContact CE1-CG 4.47Å; Y102-F107 HydrophobicContact CE1-CZ 4.24Å; S104-F107 PolarHBondContact O-N 3.11Å; S104-F107 WeakPolarHBondContact OG-CD2 3.47Å; I105-F107 PolarHBondContact O-N 2.8Å; F107-R109 VanDerWaalsContact C-N 3.35Å; F107-A117 HydrophobicContact CD1-CB 4.47Å; F107-A117 HydrophobicContact CE1-CB 3.68Å; F107-A117 HydrophobicContact CE2-CB 4.37Å; F107-A117 HydrophobicContact CZ-CB 3.63Å; F107-Y118 HydrophobicContact CB-CE1 4.48Å; F107-Y118 AromaticContact CD1-CD1 3.57Å; F107-Y118 HydrophobicContact CD1-CD1 3.57Å; F107-Y118 HydrophobicContact CD1-CD2 4.09Å; F107-Y118 AromaticContact CD1-CE1 3.26Å; F107-Y118 HydrophobicContact CD1-CE1 3.26Å; F107-Y118 AromaticContact CD1-CE2 3.82Å; F107-Y118 HydrophobicContact CD1-CE2 3.82Å; F107-Y118 AromaticContact CD1-CG 3.97Å; F107-Y118 HydrophobicContact CD1-CG 3.97Å; F107-Y118 AromaticContact CD1-CZ 3.4Å; F107-Y118 VanDerWaalsContact CD1-CZ 3.4Å; F107-Y118 AromaticContact CE1-CD1 3.62Å; F107-Y118 HydrophobicContact CE1-CD1 3.62Å; F107-Y118 HydrophobicContact CE1-CD2 4.45Å; F107-Y118 AromaticContact CE1-CE1 3.8Å; F107-Y118 HydrophobicContact CE1-CE1 3.8Å; F107-Y118 AromaticContact CE1-CG 3.96Å; F107-Y118 HydrophobicContact CE1-CG 3.96Å; F107-Y118 HydrophobicContact CG-CE1 4.23Å; F107-Y118 PolarHBondContact O-OH 2.94Å; F107-H222 PolarHBondContact O-CE1 3.3Å; F107-H222 PolarHBondContact O-NE2 3.09Å
108	K	86.1	Confident	83.1	Confident	120 Å²	120	33.4 Å²	33.4	52%	0.522	15%	0.154	S	C	.	.	H	α-helix	trans	-79.6	-16.7	174.4	-63.9	175.9	-176.6	169.1	0	113.2	I105 V106 H222	I105-K108 WeakPolarHBondContact O-CA 3.46Å; I105-K108 WeakPolarHBondContact O-CB 3.02Å; I105-K108 PolarHBondContact O-N 2.89Å; V106-K108 VanDerWaalsContact C-N 3.28Å; V106-K108 PolarHBondContact O-N 3.08Å; K108-H222 PolarHBondContact O-NE2 3.41Å
109	R	90.1	Very high	85	Confident	99 Å²	99	28.4 Å²	28.4	37%	0.374	13%	0.128	S	C	.	.	S	Bend	trans	-93.4	163.4	178.8	-58.2	-55.1	-69.4	-158	-13.9	112.6	I105 V106 F107 F111 S114 H222 E330	I105-R109 PolarHBondContact O-N 3.19Å; V106-R109 PolarHBondContact O-N 2.82Å; F107-R109 VanDerWaalsContact C-N 3.35Å; R109-F111 HydrophobicContact CB-CD1 4.31Å; R109-F111 HydrophobicContact CB-CD2 3.55Å; R109-F111 HydrophobicContact CB-CE1 4.26Å; R109-F111 HydrophobicContact CB-CE2 3.49Å; R109-F111 VanDerWaalsContact CB-CE2 3.49Å; R109-F111 HydrophobicContact CB-CG 3.96Å; R109-F111 HydrophobicContact CB-CZ 3.84Å; R109-F111 HydrophobicContact CG-CD2 4.11Å; R109-F111 HydrophobicContact CG-CE2 3.54Å; R109-F111 HydrophobicContact CG-CZ 3.84Å; R109-S114 WeakPolarHBondContact O-CB 3.49Å; R109-S114 PolarHBondContact O-OG 2.74Å; R109-H222 PolarHBondContact O-NE2 3.49Å; R109-E330 IonicContact CZ-OE1 2.94Å; R109-E330 VanDerWaalsContact CZ-OE1 3.24Å; R109-E330 IonicContact CZ-OE2 3.95Å; R109-E330 IonicContact NE-OE1 2.59Å; R109-E330 PolarHBondContact NE-OE1 2.82Å; R109-E330 IonicContact NE-OE2 3.71Å; R109-E330 PolarHBondContact NE-OE2 3.48Å; R109-E330 IonicContact NH2-OE1 3.24Å; R109-E330 PolarHBondContact NH2-OE1 3.28Å; R109-E330 IonicContact NH2-OE2 3.6Å
110	G	91.8	Very high	86.5	Confident	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.			trans	-96.6	24	-179.7	0	0	0	0	0	114.6	Y328 F329 E330	G110-Y328 WeakPolarHBondContact O-CB 3.21Å; G110-F329 VanDerWaalsContact CA-CZ 3.43Å; G110-F329 PolarHBondContact O-N 3.27Å; G110-E330 PolarHBondContact N-OE2 2.8Å; G110-E330 VanDerWaalsContact N-OE2 3.15Å; G110-E330 WeakPolarHBondContact O-CB 3.49Å; G110-E330 PolarHBondContact O-N 3.15Å
111	F	94.8	Very high	87.8	Confident	4 Å²	4	23 Å²	23	2%	0.018	11%	0.105	C	C	.	.			trans	-75.7	164.7	-171.3	-56.1	-39	0	0	0	113.2	R109 E113 S114 A115 E330 K331 P333	R109-F111 HydrophobicContact CB-CD1 4.31Å; R109-F111 HydrophobicContact CB-CD2 3.55Å; R109-F111 HydrophobicContact CB-CE1 4.26Å; R109-F111 HydrophobicContact CB-CE2 3.49Å; R109-F111 VanDerWaalsContact CB-CE2 3.49Å; R109-F111 HydrophobicContact CB-CG 3.96Å; R109-F111 HydrophobicContact CB-CZ 3.84Å; R109-F111 HydrophobicContact CG-CD2 4.11Å; R109-F111 HydrophobicContact CG-CE2 3.54Å; R109-F111 HydrophobicContact CG-CZ 3.84Å; F111-E113 PolarHBondContact O-N 3.41Å; F111-S114 PolarHBondContact N-OG 2.85Å; F111-S114 WeakPolarHBondContact O-CB 3.33Å; F111-S114 PolarHBondContact O-N 3.41Å; F111-A115 PolarHBondContact O-N 2.92Å; F111-A115 VanDerWaalsContact O-N 3.1Å; F111-E330 HydrophobicContact CD1-CB 3.95Å; F111-E330 HydrophobicContact CD1-CG 3.97Å; F111-E330 HydrophobicContact CE1-CB 4.24Å; F111-E330 HydrophobicContact CE1-CG 3.74Å; F111-E330 WeakPolarHBondContact CE1-OE1 2.9Å; F111-K331 WeakPolarHBondContact CD1-O 2.94Å; F111-K331 VanDerWaalsContact CE1-O 3.25Å; F111-K331 WeakPolarHBondContact CE1-O 3.21Å; F111-P333 HydrophobicContact CE2-CG 4.27Å; F111-P333 HydrophobicContact CZ-CG 4.31Å
112	R	95.3	Very high	89.3	Confident	64 Å²	64	22.9 Å²	22.9	24%	0.242	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-35.8	172.9	-160.5	178.5	70.4	174.4	-9.4	111.7	A115 F116 F277 A280 Y328	R112-A115 WeakPolarHBondContact O-CB 3.47Å; R112-A115 PolarHBondContact O-N 3.17Å; R112-F116 PolarHBondContact O-N 3.24Å; R112-F277 HydrophobicContact CB-CD2 4.46Å; R112-F277 HydrophobicContact CB-CE2 3.97Å; R112-F277 VanDerWaalsContact CD-O 3.25Å; R112-F277 WeakPolarHBondContact CD-O 3.33Å; R112-F277 HydrophobicContact CG-CD2 3.71Å; R112-F277 HydrophobicContact CG-CE2 3.63Å; R112-F277 HydrophobicContact CG-CG 4.5Å; R112-F277 HydrophobicContact CG-CZ 4.35Å; R112-F277 VanDerWaalsContact CZ-CE1 3.46Å; R112-F277 VanDerWaalsContact CZ-CZ 3.49Å; R112-F277 VanDerWaalsContact NE-CE2 3.3Å; R112-F277 WeakPolarHBondContact O-CD2 3.08Å; R112-A280 HydrophobicContact CG-CB 3.85Å; R112-Y328 HydrophobicContact CB-CD1 4.25Å; R112-Y328 HydrophobicContact CB-CD2 4.26Å; R112-Y328 HydrophobicContact CB-CE1 4.5Å; R112-Y328 HydrophobicContact CB-CE2 4.49Å; R112-Y328 HydrophobicContact CB-CG 4.12Å; R112-Y328 HydrophobicContact CG-CD1 4.07Å; R112-Y328 HydrophobicContact CG-CE1 4.22Å; R112-Y328 HydrophobicContact CG-CG 4.43Å
113	E	95.2	Very high	90.8	Very high	13 Å²	13	22.5 Å²	22.5	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-42.1	176.1	-68.6	68.1	-148.7	0	0	110.9	W89 V106 F111 A115 F116 A117 F277 S332 F335	W89-E113 HydrophobicContact CB-CG 4.23Å; W89-E113 HydrophobicContact CD2-CB 3.85Å; W89-E113 HydrophobicContact CD2-CG 3.6Å; W89-E113 HydrophobicContact CE3-CB 3.74Å; W89-E113 HydrophobicContact CE3-CG 3.4Å; W89-E113 VanDerWaalsContact CE3-CG 3.4Å; W89-E113 HydrophobicContact CG-CG 3.99Å; W89-E113 HydrophobicContact CH2-CB 4Å; W89-E113 HydrophobicContact CZ2-CB 4.12Å; W89-E113 HydrophobicContact CZ3-CB 3.82Å; W89-E113 HydrophobicContact CZ3-CG 3.93Å; V106-E113 HydrophobicContact CG2-CB 4.26Å; F111-E113 PolarHBondContact O-N 3.41Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 3.06Å; E113-F116 PolarHBondContact O-N 3.35Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.08Å; E113-F277 HydrophobicContact CG-CE2 4.25Å; E113-F277 HydrophobicContact CG-CZ 4.49Å; E113-F277 WeakPolarHBondContact OE1-CZ 3.39Å; E113-S332 VanDerWaalsContact OE2-CB 3.24Å; E113-S332 WeakPolarHBondContact OE2-CB 3.48Å; E113-S332 PolarHBondContact OE2-OG 2.86Å; E113-F335 HydrophobicContact CG-CE2 4.1Å; E113-F335 HydrophobicContact CG-CZ 4.06Å
114	S	94.3	Very high	92.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59	-43.8	173.3	-43.8	0	0	0	0	111.4	V106 R109 F111 F116 A117 Y118	V106-S114 WeakPolarHBondContact CG2-OG 3.31Å; V106-S114 WeakPolarHBondContact O-CB 3.36Å; V106-S114 PolarHBondContact O-OG 2.99Å; R109-S114 WeakPolarHBondContact O-CB 3.49Å; R109-S114 PolarHBondContact O-OG 2.74Å; F111-S114 PolarHBondContact N-OG 2.85Å; F111-S114 WeakPolarHBondContact O-CB 3.33Å; F111-S114 PolarHBondContact O-N 3.41Å; S114-F116 PolarHBondContact O-N 2.79Å; S114-A117 PolarHBondContact O-N 3.16Å; S114-Y118 WeakPolarHBondContact O-CD2 3.32Å; S114-Y118 PolarHBondContact O-N 2.9Å
115	A	96.4	Very high	93.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.1	-45.4	178.1	0	0	0	0	0	112.5	F111 R112 E113 A119 N229 L326 V327	F111-A115 PolarHBondContact O-N 2.92Å; F111-A115 VanDerWaalsContact O-N 3.1Å; R112-A115 WeakPolarHBondContact O-CB 3.47Å; R112-A115 PolarHBondContact O-N 3.17Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 3.06Å; A115-A119 PolarHBondContact O-N 3.12Å; A115-N229 VanDerWaalsContact CA-ND2 3.33Å; A115-N229 WeakPolarHBondContact CA-ND2 3.4Å; A115-N229 WeakPolarHBondContact CB-ND2 3.37Å; A115-L326 HydrophobicContact CB-CB 4.41Å; A115-V327 VanDerWaalsContact CB-O 3.25Å; A115-V327 WeakPolarHBondContact CB-O 3.04Å
116	F	97.3	Very high	94.3	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-45.3	174.5	178.3	-87.3	0	0	0	111.8	C80 Q83 F84 R112 E113 S114 Y118 A119 I120 L273 K274 F277 L326	C80-F116 HydrophobicContact CB-CE1 4.05Å; Q83-F116 HydrophobicContact CB-CZ 4.34Å; Q83-F116 HydrophobicContact CG-CZ 4.36Å; F84-F116 HydrophobicContact CD2-CD1 4.38Å; F84-F116 HydrophobicContact CD2-CE1 4.09Å; F84-F116 HydrophobicContact CD2-CZ 4.48Å; F84-F116 AromaticContact CE2-CD1 3.54Å; F84-F116 HydrophobicContact CE2-CD1 3.54Å; F84-F116 HydrophobicContact CE2-CD2 4.16Å; F84-F116 AromaticContact CE2-CE1 3.53Å; F84-F116 HydrophobicContact CE2-CE1 3.53Å; F84-F116 HydrophobicContact CE2-CE2 4.12Å; F84-F116 AromaticContact CE2-CG 3.88Å; F84-F116 HydrophobicContact CE2-CG 3.88Å; F84-F116 AromaticContact CE2-CZ 3.83Å; F84-F116 HydrophobicContact CE2-CZ 3.83Å; F84-F116 HydrophobicContact CZ-CD1 4.18Å; F84-F116 HydrophobicContact CZ-CG 4.17Å; R112-F116 PolarHBondContact O-N 3.24Å; E113-F116 PolarHBondContact O-N 3.35Å; S114-F116 PolarHBondContact O-N 2.79Å; F116-Y118 VanDerWaalsContact C-N 3.31Å; F116-Y118 PolarHBondContact O-N 2.98Å; F116-A119 PolarHBondContact O-N 2.84Å; F116-A119 VanDerWaalsContact O-N 3.16Å; F116-I120 HydrophobicContact CD1-CG2 4.17Å; F116-I120 HydrophobicContact CE1-CB 4.05Å; F116-I120 HydrophobicContact CE1-CG1 4.41Å; F116-I120 HydrophobicContact CE1-CG2 3.9Å; F116-I120 HydrophobicContact CZ-CB 4.29Å; F116-I120 HydrophobicContact CZ-CG1 4.42Å; F116-I120 WeakPolarHBondContact O-CG2 3.33Å; F116-I120 PolarHBondContact O-N 3.22Å; F116-L273 HydrophobicContact CD2-CB 4.01Å; F116-L273 HydrophobicContact CE2-CB 3.58Å; F116-L273 HydrophobicContact CZ-CB 4.45Å; F116-K274 HydrophobicContact CE2-CB 4.3Å; F116-F277 HydrophobicContact CB-CB 4.4Å; F116-F277 HydrophobicContact CB-CD2 3.81Å; F116-F277 HydrophobicContact CB-CG 4.47Å; F116-F277 HydrophobicContact CD2-CB 3.94Å; F116-F277 HydrophobicContact CG-CD2 4.48Å; F116-L326 HydrophobicContact CB-CD1 4.37Å
117	A	95.5	Very high	95.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.9	-41.1	180	0	0	0	0	0	112.3	L94 F107 E113 S114 I120 A121	L94-A117 HydrophobicContact CD1-CB 3.84Å; F107-A117 HydrophobicContact CD1-CB 4.47Å; F107-A117 HydrophobicContact CE1-CB 3.68Å; F107-A117 HydrophobicContact CE2-CB 4.37Å; F107-A117 HydrophobicContact CZ-CB 3.63Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.08Å; S114-A117 PolarHBondContact O-N 3.16Å; A117-I120 WeakPolarHBondContact O-CG2 3.48Å; A117-A121 VanDerWaalsContact O-CB 3.25Å; A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 2.85Å; A117-A121 VanDerWaalsContact O-N 3.13Å
118	Y	95.4	Very high	95.7	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-50.2	173.3	-81.9	-56.4	0	0	0	112	Y102 F107 S114 F116 A122 H222 M225 R226 N230	Y102-Y118 HydrophobicContact CD1-CD1 4.22Å; Y102-Y118 AromaticContact CD1-CE1 3.61Å; Y102-Y118 HydrophobicContact CD1-CE1 3.61Å; Y102-Y118 AromaticContact CE1-CD1 3.54Å; Y102-Y118 HydrophobicContact CE1-CD1 3.54Å; Y102-Y118 AromaticContact CE1-CE1 3.37Å; Y102-Y118 HydrophobicContact CE1-CE1 3.37Å; F107-Y118 HydrophobicContact CB-CE1 4.48Å; F107-Y118 AromaticContact CD1-CD1 3.57Å; F107-Y118 HydrophobicContact CD1-CD1 3.57Å; F107-Y118 HydrophobicContact CD1-CD2 4.09Å; F107-Y118 AromaticContact CD1-CE1 3.26Å; F107-Y118 HydrophobicContact CD1-CE1 3.26Å; F107-Y118 AromaticContact CD1-CE2 3.82Å; F107-Y118 HydrophobicContact CD1-CE2 3.82Å; F107-Y118 AromaticContact CD1-CG 3.97Å; F107-Y118 HydrophobicContact CD1-CG 3.97Å; F107-Y118 AromaticContact CD1-CZ 3.4Å; F107-Y118 VanDerWaalsContact CD1-CZ 3.4Å; F107-Y118 AromaticContact CE1-CD1 3.62Å; F107-Y118 HydrophobicContact CE1-CD1 3.62Å; F107-Y118 HydrophobicContact CE1-CD2 4.45Å; F107-Y118 AromaticContact CE1-CE1 3.8Å; F107-Y118 HydrophobicContact CE1-CE1 3.8Å; F107-Y118 AromaticContact CE1-CG 3.96Å; F107-Y118 HydrophobicContact CE1-CG 3.96Å; F107-Y118 HydrophobicContact CG-CE1 4.23Å; F107-Y118 PolarHBondContact O-OH 2.94Å; S114-Y118 WeakPolarHBondContact O-CD2 3.32Å; S114-Y118 PolarHBondContact O-N 2.9Å; F116-Y118 VanDerWaalsContact C-N 3.31Å; F116-Y118 PolarHBondContact O-N 2.98Å; Y118-A122 WeakPolarHBondContact O-CB 3.24Å; Y118-A122 PolarHBondContact O-N 2.03Å; Y118-H222 PolarHBondContact OH-CE1 3.29Å; Y118-H222 VanDerWaalsContact OH-CE1 3.26Å; Y118-M225 HydrophobicContact CD2-CE 4.23Å; Y118-M225 HydrophobicContact CE2-CE 3.91Å; Y118-R226 HydrophobicContact CD1-CB 4.29Å; Y118-R226 HydrophobicContact CD1-CG 3.47Å; Y118-R226 VanDerWaalsContact CD1-CG 3.47Å; Y118-R226 HydrophobicContact CD2-CB 4.32Å; Y118-R226 HydrophobicContact CD2-CG 4.35Å; Y118-R226 HydrophobicContact CE1-CB 4.07Å; Y118-R226 HydrophobicContact CE1-CG 3.37Å; Y118-R226 HydrophobicContact CE2-CB 4.1Å; Y118-R226 HydrophobicContact CE2-CG 4.28Å; Y118-R226 HydrophobicContact CG-CB 4.42Å; Y118-R226 HydrophobicContact CG-CG 3.99Å; Y118-N230 WeakPolarHBondContact CB-OD1 3.48Å; Y118-N230 PolarHBondContact O-OD1 3.48Å; Y118-N230 VanDerWaalsContact O-OD1 3.12Å
119	A	97.6	Very high	96.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.4	-46.6	-178	0	0	0	0	0	112.7	A115 F116 A121 A122 A123 N229 G233 L273 L326	A115-A119 PolarHBondContact O-N 3.12Å; F116-A119 PolarHBondContact O-N 2.84Å; F116-A119 VanDerWaalsContact O-N 3.16Å; A119-A121 PolarHBondContact O-N 3.22Å; A119-A122 PolarHBondContact O-N 2.88Å; A119-A123 WeakPolarHBondContact O-CB 3.26Å; A119-A123 PolarHBondContact O-N 2.81Å; A119-N229 WeakPolarHBondContact CA-O 3.16Å; A119-N229 VanDerWaalsContact CB-O 3.28Å; A119-N229 WeakPolarHBondContact CB-O 3.3Å; A119-G233 VanDerWaalsContact O-CA 3.26Å; A119-G233 WeakPolarHBondContact O-CA 3.34Å; A119-L273 HydrophobicContact CB-CD1 4.18Å; A119-L273 HydrophobicContact CB-CD2 3.78Å; A119-L326 HydrophobicContact CB-CD2 3.61Å
120	I	97.8	Very high	96.6	Very high	3 Å²	3	6 Å²	6	2%	0.015	3%	0.027	C	C	.	.	H	α-helix	trans	-67.6	-37.1	-178.5	-164.4	66.7	0	0	0	111.5	A76 E79 C80 F116 A117 A123 G124 F266 V269 L273	A76-I120 HydrophobicContact CB-CG1 4.07Å; A76-I120 HydrophobicContact CB-CG2 4.41Å; A76-I120 WeakPolarHBondContact CB-O 3.25Å; E79-I120 HydrophobicContact CG-CD1 4.37Å; C80-I120 HydrophobicContact CB-CG2 4.35Å; F116-I120 HydrophobicContact CD1-CG2 4.17Å; F116-I120 HydrophobicContact CE1-CB 4.05Å; F116-I120 HydrophobicContact CE1-CG1 4.41Å; F116-I120 HydrophobicContact CE1-CG2 3.9Å; F116-I120 HydrophobicContact CZ-CB 4.29Å; F116-I120 HydrophobicContact CZ-CG1 4.42Å; F116-I120 WeakPolarHBondContact O-CG2 3.33Å; F116-I120 PolarHBondContact O-N 3.22Å; A117-I120 WeakPolarHBondContact O-CG2 3.48Å; I120-A123 PolarHBondContact O-N 2.97Å; I120-G124 PolarHBondContact O-N 2.9Å; I120-F266 HydrophobicContact CD1-CE1 3.77Å; I120-F266 HydrophobicContact CD1-CZ 3.73Å; I120-F266 HydrophobicContact CG1-CE1 4.14Å; I120-F266 HydrophobicContact CG1-CZ 4.13Å; I120-V269 HydrophobicContact CD1-CG1 4.28Å; I120-L273 HydrophobicContact CB-CD1 4.08Å; I120-L273 HydrophobicContact CD1-CD1 3.67Å; I120-L273 HydrophobicContact CG1-CD1 4.49Å
121	A	96.1	Very high	96.8	Very high	4 Å²	4	7.4 Å²	7.4	3%	0.033	4%	0.035	C	C	.	.	H	α-helix	trans	-63.9	-46	175.3	0	0	0	0	0	111.6	A117 A119 A123 G124 V125	A117-A121 VanDerWaalsContact O-CB 3.25Å; A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 2.85Å; A117-A121 VanDerWaalsContact O-N 3.13Å; A119-A121 PolarHBondContact O-N 3.22Å; A121-A123 VanDerWaalsContact C-N 3.35Å; A121-A123 PolarHBondContact O-N 2.94Å; A121-G124 PolarHBondContact O-N 3.37Å; A121-V125 PolarHBondContact O-N 3.13Å
122	A	97.3	Very high	96.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.3	-40.9	177.5	0	0	0	0	0	112.4	Y118 A119 V125 V126 S208 L212 N230 R234	Y118-A122 WeakPolarHBondContact O-CB 3.24Å; Y118-A122 PolarHBondContact O-N 2.03Å; A119-A122 PolarHBondContact O-N 2.88Å; A122-V125 PolarHBondContact O-N 2.9Å; A122-V126 WeakPolarHBondContact O-CG2 3.19Å; A122-V126 PolarHBondContact O-N 3.02Å; A122-S208 PolarHBondContact O-OG 3.24Å; A122-L212 VanDerWaalsContact CA-CD1 3.5Å; A122-L212 HydrophobicContact CB-CD1 3.87Å; A122-N230 HydrophobicContact CB-CB 3.98Å; A122-N230 WeakPolarHBondContact CB-O 3.49Å; A122-R234 HydrophobicContact CB-CG 4.03Å
123	A	98.4	Very high	96.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.2	-42.4	172.7	0	0	0	0	0	112.1	A119 I120 A121 V125 V126 H127 G233 V237 F266 V269 L273	A119-A123 WeakPolarHBondContact O-CB 3.26Å; A119-A123 PolarHBondContact O-N 2.81Å; I120-A123 PolarHBondContact O-N 2.97Å; A121-A123 VanDerWaalsContact C-N 3.35Å; A121-A123 PolarHBondContact O-N 2.94Å; A123-V125 PolarHBondContact O-N 2.93Å; A123-V126 PolarHBondContact O-N 2.75Å; A123-H127 VanDerWaalsContact O-CB 3.31Å; A123-H127 WeakPolarHBondContact O-CB 3.34Å; A123-H127 PolarHBondContact O-N 3.13Å; A123-G233 WeakPolarHBondContact CB-O 3.46Å; A123-V237 HydrophobicContact CB-CG2 3.77Å; A123-F266 HydrophobicContact CB-CE2 4.41Å; A123-V269 HydrophobicContact CB-CG1 3.74Å; A123-L273 HydrophobicContact CB-CD1 4.31Å
124	G	97.9	Very high	96.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.5	-44.6	176.4	0	0	0	0	0	112.9	G72 I120 A121 H127 A128 F266	G72-G124 VanDerWaalsContact CA-O 3.3Å; G72-G124 WeakPolarHBondContact CA-O 3.27Å; G72-G124 WeakPolarHBondContact O-CA 3.42Å; I120-G124 PolarHBondContact O-N 2.9Å; A121-G124 PolarHBondContact O-N 3.37Å; G124-H127 PolarHBondContact O-N 3.06Å; G124-A128 WeakPolarHBondContact O-CB 3.48Å; G124-A128 PolarHBondContact O-N 2.86Å; G124-F266 VanDerWaalsContact CA-CE2 3.48Å
125	V	97.6	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62	-49	175.8	175.3	0	0	0	0	111.4	A69 I73 A121 A122 A123 H127 A128 V129 F207 L212	A69-V125 HydrophobicContact CB-CB 4.48Å; A69-V125 HydrophobicContact CB-CG1 3.69Å; A69-V125 HydrophobicContact CB-CG2 4.13Å; I73-V125 HydrophobicContact CD1-CG2 4.14Å; I73-V125 HydrophobicContact CG1-CG2 3.69Å; A121-V125 PolarHBondContact O-N 3.13Å; A122-V125 PolarHBondContact O-N 2.9Å; A123-V125 PolarHBondContact O-N 2.93Å; V125-H127 VanDerWaalsContact C-N 3.34Å; V125-H127 PolarHBondContact O-N 3.48Å; V125-A128 PolarHBondContact O-N 3.01Å; V125-V129 HydrophobicContact CG1-CG2 4.1Å; V125-V129 VanDerWaalsContact O-CB 3.31Å; V125-V129 WeakPolarHBondContact O-CB 3.25Å; V125-V129 VanDerWaalsContact O-CG2 3.29Å; V125-V129 WeakPolarHBondContact O-CG2 3.05Å; V125-V129 PolarHBondContact O-N 3.2Å; V125-F207 HydrophobicContact CG1-CD1 4.07Å; V125-L212 HydrophobicContact CB-CD1 4.35Å; V125-L212 HydrophobicContact CG2-CD1 3.92Å; V125-L212 HydrophobicContact CG2-CD2 4.24Å; V125-L212 HydrophobicContact CG2-CG 4.43Å
126	V	98.5	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-48.2	178.8	178.3	0	0	0	0	110.7	A122 A123 A130 V201 R234 V237 L238	A122-V126 WeakPolarHBondContact O-CG2 3.19Å; A122-V126 PolarHBondContact O-N 3.02Å; A123-V126 PolarHBondContact O-N 2.75Å; V126-A130 WeakPolarHBondContact O-CB 3.33Å; V126-A130 PolarHBondContact O-N 3.35Å; V126-V201 HydrophobicContact CG1-CB 4.48Å; V126-R234 HydrophobicContact CG2-CB 4Å; V126-R234 HydrophobicContact CG2-CG 3.65Å; V126-V237 HydrophobicContact CB-CB 4.46Å; V126-V237 HydrophobicContact CB-CG2 4.42Å; V126-V237 HydrophobicContact CG1-CB 4.07Å; V126-V237 HydrophobicContact CG1-CG1 3.88Å; V126-L238 HydrophobicContact CG1-CD1 4.11Å
127	H	98.4	Very high	96.4	Very high	25 Å²	25	19.4 Å²	19.4	12%	0.116	12%	0.115	C	C	.	.	H	α-helix	trans	-60.2	-48.2	-178.9	174.5	-88.9	0	0	0	112.3	A123 G124 V125 N131 T263 P264 F266	A123-H127 VanDerWaalsContact O-CB 3.31Å; A123-H127 WeakPolarHBondContact O-CB 3.34Å; A123-H127 PolarHBondContact O-N 3.13Å; G124-H127 PolarHBondContact O-N 3.06Å; V125-H127 VanDerWaalsContact C-N 3.34Å; V125-H127 PolarHBondContact O-N 3.48Å; H127-N131 PolarHBondContact CE1-ND2 3.12Å; H127-N131 PolarHBondContact NE2-ND2 2.59Å; H127-N131 WeakPolarHBondContact O-CB 3.34Å; H127-N131 PolarHBondContact O-N 3.08Å; H127-N131 PolarHBondContact O-ND2 3.12Å; H127-T263 PolarHBondContact CD2-OG1 2.8Å; H127-T263 PolarHBondContact NE2-OG1 3.2Å; H127-P264 PolarHBondContact CD2-O 3.44Å; H127-P264 PolarHBondContact NE2-O 3.3Å; H127-F266 HydrophobicContact CB-CD2 3.88Å; H127-F266 HydrophobicContact CB-CE2 4.01Å; H127-F266 AromaticContact CD2-CD2 3.97Å; H127-F266 AromaticContact CG-CD2 3.64Å; H127-F266 AromaticContact ND1-CD2 3.88Å
128	A	98	Very high	96.3	Very high	9 Å²	9	19.9 Å²	19.9	7%	0.074	12%	0.117	C	C	.	.	H	α-helix	trans	-71.3	-44.9	-177.6	0	0	0	0	0	112.5	S68 G124 V125 N131 A132	S68-A128 WeakPolarHBondContact O-CB 3.26Å; G124-A128 WeakPolarHBondContact O-CB 3.48Å; G124-A128 PolarHBondContact O-N 2.86Å; V125-A128 PolarHBondContact O-N 3.01Å; A128-N131 PolarHBondContact O-N 2.93Å; A128-A132 WeakPolarHBondContact O-CB 3.15Å; A128-A132 PolarHBondContact O-N 3.27Å
129	V	98	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-48.6	180	170.6	0	0	0	0	110.7	V65 A69 V125 N131 A132 C133 L138 F203 F207	V65-V129 HydrophobicContact CG1-CG1 3.76Å; V65-V129 HydrophobicContact CG1-CG2 3.99Å; A69-V129 HydrophobicContact CB-CG2 4.13Å; V125-V129 HydrophobicContact CG1-CG2 4.1Å; V125-V129 VanDerWaalsContact O-CB 3.31Å; V125-V129 WeakPolarHBondContact O-CB 3.25Å; V125-V129 VanDerWaalsContact O-CG2 3.29Å; V125-V129 WeakPolarHBondContact O-CG2 3.05Å; V125-V129 PolarHBondContact O-N 3.2Å; V129-N131 VanDerWaalsContact C-N 3.32Å; V129-N131 PolarHBondContact O-N 3.16Å; V129-A132 PolarHBondContact O-N 2.87Å; V129-A132 VanDerWaalsContact O-N 3.16Å; V129-C133 PolarHBondContact O-N 2.92Å; V129-C133 PolarHBondContact O-SG 3.24Å; V129-L138 HydrophobicContact CG1-CD1 4.17Å; V129-F203 HydrophobicContact CG1-CD1 3.73Å; V129-F203 HydrophobicContact CG1-CE1 3.79Å; V129-F207 HydrophobicContact CG2-CD1 4.21Å
130	A	97.3	Very high	95.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-43.1	-179.6	0	0	0	0	0	112.1	V126 C133 S134 P199 V201 T263	V126-A130 WeakPolarHBondContact O-CB 3.33Å; V126-A130 PolarHBondContact O-N 3.35Å; A130-C133 WeakPolarHBondContact O-CB 3.47Å; A130-C133 PolarHBondContact O-N 3.25Å; A130-S134 PolarHBondContact O-N 3.22Å; A130-S134 VanDerWaalsContact O-N 3.08Å; A130-P199 HydrophobicContact CB-CB 3.96Å; A130-P199 WeakPolarHBondContact O-CB 3.5Å; A130-V201 HydrophobicContact CB-CB 4.36Å; A130-V201 HydrophobicContact CB-CG1 3.72Å; A130-T263 HydrophobicContact CB-CG2 4.34Å
131	N	96.4	Very high	95.6	Very high	30 Å²	30	32 Å²	32	16%	0.16	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-41.7	176.4	-78	-40.5	0	0	0	112	H127 A128 V129 C133 S134 M135 T263	H127-N131 PolarHBondContact CE1-ND2 3.12Å; H127-N131 PolarHBondContact NE2-ND2 2.59Å; H127-N131 WeakPolarHBondContact O-CB 3.34Å; H127-N131 PolarHBondContact O-N 3.08Å; H127-N131 PolarHBondContact O-ND2 3.12Å; A128-N131 PolarHBondContact O-N 2.93Å; V129-N131 VanDerWaalsContact C-N 3.32Å; V129-N131 PolarHBondContact O-N 3.16Å; N131-C133 VanDerWaalsContact C-N 3.31Å; N131-C133 PolarHBondContact O-N 3.09Å; N131-S134 PolarHBondContact O-N 3.19Å; N131-S134 PolarHBondContact O-OG 3.27Å; N131-M135 HydrophobicContact CB-CE 4.47Å; N131-M135 VanDerWaalsContact O-CG 3.29Å; N131-M135 WeakPolarHBondContact O-CG 3.37Å; N131-M135 PolarHBondContact O-N 3.44Å; N131-T263 PolarHBondContact ND2-OG1 3.15Å; N131-T263 PolarHBondContact OD1-OG1 3.39Å
132	A	96.7	Very high	95.4	Very high	7 Å²	7	33.4 Å²	33.4	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-36.9	175.9	0	0	0	0	0	112.3	A128 V129 M135 G136 K137 L138	A128-A132 WeakPolarHBondContact O-CB 3.15Å; A128-A132 PolarHBondContact O-N 3.27Å; V129-A132 PolarHBondContact O-N 2.87Å; V129-A132 VanDerWaalsContact O-N 3.16Å; A132-M135 PolarHBondContact O-N 2.85Å; A132-G136 PolarHBondContact O-N 3.31Å; A132-K137 HydrophobicContact CB-CB 4.36Å; A132-K137 PolarHBondContact O-N 3.41Å; A132-L138 HydrophobicContact CB-CD1 3.65Å; A132-L138 HydrophobicContact CB-CD2 4.39Å; A132-L138 HydrophobicContact CB-CG 3.79Å
133	C	95.3	Very high	95.1	Very high	1 Å²	1	36 Å²	36	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-49.4	170.9	-59.7	0	0	0	0	111.1	V129 A130 N131 M135 G136 C141 G142 F203	V129-C133 PolarHBondContact O-N 2.92Å; V129-C133 PolarHBondContact O-SG 3.24Å; A130-C133 WeakPolarHBondContact O-CB 3.47Å; A130-C133 PolarHBondContact O-N 3.25Å; N131-C133 VanDerWaalsContact C-N 3.31Å; N131-C133 PolarHBondContact O-N 3.09Å; C133-M135 PolarHBondContact O-N 2.89Å; C133-G136 PolarHBondContact O-N 2.86Å; C133-C141 VanDerWaalsContact CA-SG 3.57Å; C133-C141 HydrophobicContact CB-CB 3.79Å; C133-C141 WeakPolarHBondContact CB-SG 3.07Å; C133-C141 WeakPolarHBondContact SG-CB 3.4Å; C133-C141 CovalentContact SG-SG 2.02Å; C133-C141 PolarHBondContact SG-SG 2.74Å; C133-G142 VanDerWaalsContact CB-O 3.31Å; C133-G142 WeakPolarHBondContact CB-O 3.36Å; C133-F203 VanDerWaalsContact SG-CD1 3.59Å
134	S	94.3	Very high	94.6	Very high	28 Å²	28	37.1 Å²	37.1	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-23.3	179.4	65.4	0	0	0	0	114.7	A130 N131 G136 C197	A130-S134 PolarHBondContact O-N 3.22Å; A130-S134 VanDerWaalsContact O-N 3.08Å; N131-S134 PolarHBondContact O-N 3.19Å; N131-S134 PolarHBondContact O-OG 3.27Å; S134-G136 VanDerWaalsContact C-N 3.29Å; S134-C197 WeakPolarHBondContact CA-SG 3.31Å; S134-C197 VanDerWaalsContact CB-SG 3.6Å; S134-C197 PolarHBondContact O-SG 3.01Å
135	M	93.9	Very high	93.7	Very high	120 Å²	120	44.4 Å²	44.4	59%	0.591	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.7	175.6	-68.1	175.5	-170.9	0	0	112.7	N131 A132 C133 K137	N131-M135 HydrophobicContact CB-CE 4.47Å; N131-M135 VanDerWaalsContact O-CG 3.29Å; N131-M135 WeakPolarHBondContact O-CG 3.37Å; N131-M135 PolarHBondContact O-N 3.44Å; A132-M135 PolarHBondContact O-N 2.85Å; C133-M135 PolarHBondContact O-N 2.89Å; M135-K137 HydrophobicContact CB-CD 4.21Å; M135-K137 HydrophobicContact CB-CG 3.95Å; M135-K137 PolarHBondContact O-N 3.02Å; M135-K137 HydrophobicContact SD-CD 4.33Å
136	G	92.4	Very high	92.8	Very high	62 Å²	62	51.2 Å²	51.2	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	20.9	-175.3	0	0	0	0	0	113.9	A132 C133 S134 L138	A132-G136 PolarHBondContact O-N 3.31Å; C133-G136 PolarHBondContact O-N 2.86Å; S134-G136 VanDerWaalsContact C-N 3.29Å; G136-L138 VanDerWaalsContact C-N 3.33Å
137	K	91.7	Very high	91.4	Very high	115 Å²	115	54.6 Å²	54.6	50%	0.5	29%	0.294	S	S	.	.			trans	-80.1	-16.6	-179.7	-70.1	-177.3	174.8	-179.3	0	113.5	A132 M135	A132-K137 HydrophobicContact CB-CB 4.36Å; A132-K137 PolarHBondContact O-N 3.41Å; M135-K137 HydrophobicContact CB-CD 4.21Å; M135-K137 HydrophobicContact CB-CG 3.95Å; M135-K137 PolarHBondContact O-N 3.02Å; M135-K137 HydrophobicContact SD-CD 4.33Å
138	L	93.3	Very high	89.9	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.052	32%	0.315	C	S	.	.			trans	-112.6	138	-173.9	-61.1	-178.9	0	0	0	109.5	D64 V65 V129 A132 G136 C141	D64-L138 HydrophobicContact CB-CD2 4.08Å; D64-L138 WeakPolarHBondContact O-CD2 3.45Å; V65-L138 HydrophobicContact CG1-CD1 4.4Å; V65-L138 HydrophobicContact CG2-CD1 4.21Å; V65-L138 HydrophobicContact CG2-CD2 4.32Å; V129-L138 HydrophobicContact CG1-CD1 4.17Å; A132-L138 HydrophobicContact CB-CD1 3.65Å; A132-L138 HydrophobicContact CB-CD2 4.39Å; A132-L138 HydrophobicContact CB-CG 3.79Å; G136-L138 VanDerWaalsContact C-N 3.33Å; L138-C141 VanDerWaalsContact CB-SG 3.55Å; L138-C141 VanDerWaalsContact CD1-SG 3.54Å; L138-C141 VanDerWaalsContact O-O 3.06Å
139	K	91.2	Very high	88.2	Confident	201 Å²	201	62.3 Å²	62.3	87%	0.874	34%	0.335	S	S	*	.	S	Bend	trans	-79.8	-26.1	177.2	-65.5	-178.9	-179	177.4	0	112.2	D64	D64-K139 PolarHBondContact OD2-N 3.28Å
140	A	91.6	Very high	86.8	Confident	41 Å²	41	65.4 Å²	65.4	34%	0.339	35%	0.352	S	S	.	.	S	Bend	trans	-81.7	-13	-173.5	0	0	0	0	0	114.4	N62 V65 F203	N62-A140 WeakPolarHBondContact OD1-CB 3.47Å; V65-A140 HydrophobicContact CG2-CB 3.77Å; A140-F203 HydrophobicContact CB-CE2 4.31Å; A140-F203 HydrophobicContact CB-CZ 3.8Å
141	C	93.6	Very high	85.3	Confident	20 Å²	20	68.5 Å²	68.5	14%	0.135	37%	0.366	C	S	.	.			trans	-152.4	163.4	-175.3	58	0	0	0	0	111.6	C133 L138 F203	C133-C141 VanDerWaalsContact CA-SG 3.57Å; C133-C141 HydrophobicContact CB-CB 3.79Å; C133-C141 WeakPolarHBondContact CB-SG 3.07Å; C133-C141 WeakPolarHBondContact SG-CB 3.4Å; C133-C141 CovalentContact SG-SG 2.02Å; C133-C141 PolarHBondContact SG-SG 2.74Å; L138-C141 VanDerWaalsContact CB-SG 3.55Å; L138-C141 VanDerWaalsContact CD1-SG 3.54Å; L138-C141 VanDerWaalsContact O-O 3.06Å; C141-F203 HydrophobicContact CB-CB 4.5Å; C141-F203 HydrophobicContact CB-CD1 3.65Å; C141-F203 HydrophobicContact CB-CD2 3.9Å; C141-F203 HydrophobicContact CB-CE1 3.73Å; C141-F203 HydrophobicContact CB-CE2 3.96Å; C141-F203 HydrophobicContact CB-CG 3.75Å; C141-F203 HydrophobicContact CB-CZ 3.89Å; C141-F203 VanDerWaalsContact SG-CE1 3.54Å
142	G	91.4	Very high	84	Confident	32 Å²	32	72.2 Å²	72.2	33%	0.33	38%	0.382	S	S	.	.			trans	-140.8	-145	176.7	0	0	0	0	0	112	C133	C133-G142 VanDerWaalsContact CB-O 3.31Å; C133-G142 WeakPolarHBondContact CB-O 3.36Å
143	C	91.6	Very high	82.7	Confident	55 Å²	55	74.5 Å²	74.5	37%	0.372	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-68.8	153	171.4	-48.5	0	0	0	0	110.8	E145 C197 S198	C143-E145 PolarHBondContact O-N 3.01Å; C143-C197 VanDerWaalsContact CA-SG 3.58Å; C143-C197 HydrophobicContact CB-CB 4.08Å; C143-C197 WeakPolarHBondContact CB-SG 3.28Å; C143-C197 WeakPolarHBondContact SG-CB 3.31Å; C143-C197 CovalentContact SG-SG 2.02Å; C143-C197 PolarHBondContact SG-SG 3.47Å; C143-S198 WeakPolarHBondContact CA-O 3.32Å
144	D	87.9	Confident	81.5	Confident	24 Å²	24	75.3 Å²	75.3	13%	0.128	41%	0.405	C	S	.	.			trans	-54.5	110	174.3	175.6	11.6	0	0	0	111.7	K146 R147 S198	D144-K146 VanDerWaalsContact C-N 3.26Å; D144-K146 PolarHBondContact O-N 2.88Å; D144-K146 WeakPolarHBondContact OD1-CB 3.38Å; D144-K146 PolarHBondContact OD1-N 3Å; D144-K146 VanDerWaalsContact OD1-N 3.12Å; D144-R147 PolarHBondContact O-N 3.36Å; D144-S198 PolarHBondContact N-O 2.87Å
145	E	79.2	Confident	80.4	Confident	152 Å²	152	82.4 Å²	82.4	71%	0.71	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-66.7	-26.5	-174.9	-64.9	-171.5	159.1	0	0	113	C143 R147 R148	C143-E145 PolarHBondContact O-N 3.01Å; E145-R147 PolarHBondContact O-N 3.14Å; E145-R147 VanDerWaalsContact O-N 3.09Å; E145-R148 VanDerWaalsContact O-CB 3.32Å; E145-R148 WeakPolarHBondContact O-CB 3.29Å; E145-R148 PolarHBondContact O-N 3.22Å
146	K	78.7	Confident	79.4	Confident	143 Å²	143	82.8 Å²	82.8	62%	0.622	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.9	-178.1	-65.4	177.3	-178.4	173.9	0	112.5	D144 E202	D144-K146 VanDerWaalsContact C-N 3.26Å; D144-K146 PolarHBondContact O-N 2.88Å; D144-K146 WeakPolarHBondContact OD1-CB 3.38Å; D144-K146 PolarHBondContact OD1-N 3Å; D144-K146 VanDerWaalsContact OD1-N 3.12Å; K146-E202 WeakPolarHBondContact CE-OE2 3.4Å; K146-E202 IonicContact NZ-OE1 3.89Å; K146-E202 PolarHBondContact NZ-OE1 2.85Å; K146-E202 IonicContact NZ-OE2 3.96Å; K146-E202 PolarHBondContact NZ-OE2 3.39Å
147	R	69.6	Low	78.5	Confident	71 Å²	71	83.5 Å²	83.5	27%	0.268	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-107.6	5.7	-179	-61.8	-116.9	-173.3	77.4	5.3	113.2	D144 E145 G149 D150	D144-R147 PolarHBondContact O-N 3.36Å; E145-R147 PolarHBondContact O-N 3.14Å; E145-R147 VanDerWaalsContact O-N 3.09Å; R147-G149 VanDerWaalsContact C-N 3.31Å; R147-G149 PolarHBondContact O-N 3.47Å; R147-D150 PolarHBondContact O-N 3.36Å
148	R	65.4	Low	77.5	Confident	149 Å²	149	80.3 Å²	80.3	56%	0.562	41%	0.405	S	S	*	.	H	α-helix	trans	-64.5	-35.1	-180	-157.7	-177.5	93.1	-178.4	5.2	112.5	E145 D150 E151 E152	E145-R148 VanDerWaalsContact O-CB 3.32Å; E145-R148 WeakPolarHBondContact O-CB 3.29Å; E145-R148 PolarHBondContact O-N 3.22Å; R148-D150 VanDerWaalsContact C-N 3.29Å; R148-D150 PolarHBondContact O-N 3.43Å; R148-E151 PolarHBondContact O-N 3.24Å; R148-E152 IonicContact NE-OE1 2.93Å; R148-E152 IonicContact NH2-OE1 3.42Å; R148-E152 PolarHBondContact O-N 3.1Å
149	G	62.9	Low	76.7	Confident	48 Å²	48	82.7 Å²	82.7	50%	0.495	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-33.2	177.7	0	0	0	0	0	113.3	R147 E151 A153	R147-G149 VanDerWaalsContact C-N 3.31Å; R147-G149 PolarHBondContact O-N 3.47Å; G149-E151 VanDerWaalsContact C-N 3.33Å; G149-A153 PolarHBondContact O-N 3.24Å
150	D	68.4	Low	76.2	Confident	65 Å²	65	80.9 Å²	80.9	35%	0.348	41%	0.41	S	S	.	.	H	α-helix	trans	-73.3	-29.2	179.2	-50.6	-40.5	0	0	0	111.8	R147 R148 F154 W194	R147-D150 PolarHBondContact O-N 3.36Å; R148-D150 VanDerWaalsContact C-N 3.29Å; R148-D150 PolarHBondContact O-N 3.43Å; D150-F154 PolarHBondContact O-N 2.65Å; D150-W194 HydrophobicContact CB-CB 3.42Å; D150-W194 VanDerWaalsContact CB-CB 3.42Å; D150-W194 HydrophobicContact CB-CG 3.97Å; D150-W194 VanDerWaalsContact OD2-CD1 3.29Å
151	E	65.3	Low	75.2	Confident	65 Å²	65	82 Å²	82	30%	0.304	41%	0.41	S	S	.	.	H	α-helix	trans	-70.3	-40.9	176.9	-172.8	175.3	-162.6	0	0	112.5	R148 G149 F154 R155 G196	R148-E151 PolarHBondContact O-N 3.24Å; G149-E151 VanDerWaalsContact C-N 3.33Å; E151-F154 PolarHBondContact O-N 3.1Å; E151-R155 WeakPolarHBondContact O-CG 3.35Å; E151-R155 PolarHBondContact O-N 3.37Å; E151-G196 PolarHBondContact OE1-N 3.43Å
152	E	69.9	Low	74.2	Confident	107 Å²	107	86.4 Å²	86.4	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.4	-72	177	-170.7	0	0	111.1	R148 F154 R155 L156	R148-E152 IonicContact NE-OE1 2.93Å; R148-E152 IonicContact NH2-OE1 3.42Å; R148-E152 PolarHBondContact O-N 3.1Å; E152-F154 VanDerWaalsContact C-N 3.34Å; E152-F154 PolarHBondContact O-N 3.39Å; E152-R155 PolarHBondContact O-N 3.2Å; E152-L156 WeakPolarHBondContact O-CG 3.44Å; E152-L156 PolarHBondContact O-N 2.99Å; E152-L156 VanDerWaalsContact O-N 3.13Å
153	A	68.4	Low	73.3	Confident	55 Å²	55	89.5 Å²	89.5	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-42.1	174.1	0	0	0	0	0	112	G149 L156 K157	G149-A153 PolarHBondContact O-N 3.24Å; A153-L156 PolarHBondContact O-N 3.26Å; A153-K157 WeakPolarHBondContact O-CB 3.35Å; A153-K157 PolarHBondContact O-N 3.2Å
154	F	70.1	Confident	72.5	Confident	18 Å²	18	89.5 Å²	89.5	8%	0.079	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-44.6	174.9	177.1	-107.1	0	0	0	112.7	D150 E151 E152 L156 K157 L158 E193 W194 L256 T258	D150-F154 PolarHBondContact O-N 2.65Å; E151-F154 PolarHBondContact O-N 3.1Å; E152-F154 VanDerWaalsContact C-N 3.34Å; E152-F154 PolarHBondContact O-N 3.39Å; F154-L156 VanDerWaalsContact C-N 3.31Å; F154-L156 PolarHBondContact O-N 2.03Å; F154-K157 PolarHBondContact O-N 3.01Å; F154-L158 HydrophobicContact CE1-CB 4.47Å; F154-L158 HydrophobicContact CE1-CD2 4.25Å; F154-L158 HydrophobicContact CZ-CB 4.35Å; F154-L158 HydrophobicContact CZ-CD1 4.5Å; F154-L158 HydrophobicContact CZ-CD2 4.45Å; F154-L158 WeakPolarHBondContact O-CB 3.1Å; F154-L158 PolarHBondContact O-N 3.21Å; F154-E193 HydrophobicContact CB-CB 4.2Å; F154-E193 HydrophobicContact CD2-CB 3.34Å; F154-E193 HydrophobicContact CD2-CG 3.79Å; F154-E193 HydrophobicContact CE2-CB 4.06Å; F154-E193 HydrophobicContact CE2-CG 4.39Å; F154-E193 HydrophobicContact CG-CB 4.09Å; F154-W194 WeakPolarHBondContact CB-O 3.37Å; F154-L256 HydrophobicContact CE2-CD1 4.14Å; F154-T258 HydrophobicContact CD1-CG2 4.2Å; F154-T258 HydrophobicContact CE1-CG2 4.07Å; F154-T258 WeakPolarHBondContact CE1-OG1 3.37Å; F154-T258 WeakPolarHBondContact CE2-OG1 3.26Å; F154-T258 HydrophobicContact CZ-CG2 4.34Å; F154-T258 WeakPolarHBondContact CZ-OG1 3.36Å
155	R	71.6	Confident	71.6	Confident	177 Å²	177	91.2 Å²	91.2	67%	0.668	45%	0.449	S	S	*	.	H	α-helix	trans	-59.1	-42.2	178.6	-74	179.1	66.8	124.5	2.5	112	E151 E152 L158 S159	E151-R155 WeakPolarHBondContact O-CG 3.35Å; E151-R155 PolarHBondContact O-N 3.37Å; E152-R155 PolarHBondContact O-N 3.2Å; R155-L158 PolarHBondContact O-N 3.48Å; R155-S159 WeakPolarHBondContact O-CB 3.39Å; R155-S159 PolarHBondContact O-N 3.05Å
156	L	73.9	Confident	71.1	Confident	129 Å²	129	88.8 Å²	88.8	68%	0.675	44%	0.44	S	S	*	.	H	α-helix	trans	-64.6	-44.3	176.2	-70.2	168.3	0	0	0	111.5	E152 A153 F154 S159 R160	E152-L156 WeakPolarHBondContact O-CG 3.44Å; E152-L156 PolarHBondContact O-N 2.99Å; E152-L156 VanDerWaalsContact O-N 3.13Å; A153-L156 PolarHBondContact O-N 3.26Å; F154-L156 VanDerWaalsContact C-N 3.31Å; F154-L156 PolarHBondContact O-N 2.03Å; L156-S159 PolarHBondContact O-N 2.81Å; L156-R160 WeakPolarHBondContact O-CB 3.33Å; L156-R160 PolarHBondContact O-N 2.98Å
157	K	72	Confident	70.6	Confident	76 Å²	76	88.4 Å²	88.4	33%	0.33	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-41.3	177.1	-170.6	171.9	179	175	0	112.3	A153 F154 R160 L161 E193	A153-K157 WeakPolarHBondContact O-CB 3.35Å; A153-K157 PolarHBondContact O-N 3.2Å; F154-K157 PolarHBondContact O-N 3.01Å; K157-R160 PolarHBondContact O-N 3.23Å; K157-L161 HydrophobicContact CG-CD1 4.36Å; K157-L161 WeakPolarHBondContact O-CG 3.25Å; K157-L161 PolarHBondContact O-N 2.96Å; K157-E193 HydrophobicContact CD-CG 4.36Å; K157-E193 IonicContact NZ-OE1 2.81Å; K157-E193 PolarHBondContact NZ-OE1 3.06Å
158	L	71.3	Confident	70.3	Confident	48 Å²	48	94.3 Å²	94.3	25%	0.251	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-46.4	175.8	-178.7	67.9	0	0	0	111.4	F154 R155 R160 L161 Q162 L256	F154-L158 HydrophobicContact CE1-CB 4.47Å; F154-L158 HydrophobicContact CE1-CD2 4.25Å; F154-L158 HydrophobicContact CZ-CB 4.35Å; F154-L158 HydrophobicContact CZ-CD1 4.5Å; F154-L158 HydrophobicContact CZ-CD2 4.45Å; F154-L158 WeakPolarHBondContact O-CB 3.1Å; F154-L158 PolarHBondContact O-N 3.21Å; R155-L158 PolarHBondContact O-N 3.48Å; L158-R160 VanDerWaalsContact C-N 3.29Å; L158-R160 PolarHBondContact O-N 2.82Å; L158-L161 PolarHBondContact O-N 3.4Å; L158-Q162 HydrophobicContact CD1-CG 4.49Å; L158-Q162 WeakPolarHBondContact O-CB 3.5Å; L158-Q162 WeakPolarHBondContact O-CG 3.44Å; L158-Q162 PolarHBondContact O-N 3.41Å; L158-L256 HydrophobicContact CD1-CD2 3.61Å
159	S	76.9	Confident	69.9	Low	61 Å²	61	89.8 Å²	89.8	43%	0.427	46%	0.462	S	S	.	.	H	α-helix	trans	-59.4	-41.6	176.9	-178.1	0	0	0	0	111.5	R155 L156 Q162 L163	R155-S159 WeakPolarHBondContact O-CB 3.39Å; R155-S159 PolarHBondContact O-N 3.05Å; L156-S159 PolarHBondContact O-N 2.81Å; S159-Q162 PolarHBondContact O-N 3.04Å; S159-L163 WeakPolarHBondContact O-CG 3.28Å; S159-L163 PolarHBondContact O-N 3.04Å
160	R	79.8	Confident	69.3	Low	163 Å²	163	95.7 Å²	95.7	62%	0.615	47%	0.474	S	S	*	.	H	α-helix	trans	-62.2	-50.3	174.2	-178.7	-175.4	145.9	168.5	-4.4	112.4	L156 K157 L158 Q162 L163 E164	L156-R160 WeakPolarHBondContact O-CB 3.33Å; L156-R160 PolarHBondContact O-N 2.98Å; K157-R160 PolarHBondContact O-N 3.23Å; L158-R160 VanDerWaalsContact C-N 3.29Å; L158-R160 PolarHBondContact O-N 2.82Å; R160-Q162 VanDerWaalsContact C-N 3.29Å; R160-Q162 PolarHBondContact O-N 3.17Å; R160-L163 WeakPolarHBondContact O-CB 3.41Å; R160-L163 PolarHBondContact O-N 2.85Å; R160-L163 VanDerWaalsContact O-N 3.16Å; R160-E164 IonicContact CZ-OE1 3.44Å; R160-E164 IonicContact NE-OE1 3.66Å; R160-E164 PolarHBondContact NE-OE1 3.32Å; R160-E164 IonicContact NH2-OE1 3.17Å; R160-E164 PolarHBondContact NH2-OE1 2.91Å; R160-E164 WeakPolarHBondContact O-CG 3.21Å; R160-E164 PolarHBondContact O-N 2.94Å
161	L	70.6	Confident	68.2	Low	64 Å²	64	95.5 Å²	95.5	34%	0.335	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-35.2	179.3	-71.8	173.4	0	0	0	112.4	K157 L158 E164 A165 L256	K157-L161 HydrophobicContact CG-CD1 4.36Å; K157-L161 WeakPolarHBondContact O-CG 3.25Å; K157-L161 PolarHBondContact O-N 2.96Å; L158-L161 PolarHBondContact O-N 3.4Å; L161-E164 PolarHBondContact O-N 3.18Å; L161-A165 WeakPolarHBondContact O-CB 3.01Å; L161-A165 PolarHBondContact O-N 3.17Å; L161-L256 HydrophobicContact CD1-CD1 4.09Å; L161-L256 HydrophobicContact CD1-CD2 4.45Å
162	Q	73	Confident	67.3	Low	112 Å²	112	100.3 Å²	100.3	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-43	173.4	-76.9	175.7	-24.1	0	0	111.7	L158 S159 R160 A165 I166	L158-Q162 HydrophobicContact CD1-CG 4.49Å; L158-Q162 WeakPolarHBondContact O-CB 3.5Å; L158-Q162 WeakPolarHBondContact O-CG 3.44Å; L158-Q162 PolarHBondContact O-N 3.41Å; S159-Q162 PolarHBondContact O-N 3.04Å; R160-Q162 VanDerWaalsContact C-N 3.29Å; R160-Q162 PolarHBondContact O-N 3.17Å; Q162-A165 PolarHBondContact O-N 2.73Å; Q162-I166 VanDerWaalsContact O-CG1 3.27Å; Q162-I166 WeakPolarHBondContact O-CG1 3Å; Q162-I166 PolarHBondContact O-N 2.92Å
163	L	73.1	Confident	66.1	Low	98 Å²	98	101 Å²	101	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-43.6	174.8	-74.1	165.6	0	0	0	111.8	S159 R160 A165 I166 Q167	S159-L163 WeakPolarHBondContact O-CG 3.28Å; S159-L163 PolarHBondContact O-N 3.04Å; R160-L163 WeakPolarHBondContact O-CB 3.41Å; R160-L163 PolarHBondContact O-N 2.85Å; R160-L163 VanDerWaalsContact O-N 3.16Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.44Å; L163-I166 PolarHBondContact O-N 3.11Å; L163-Q167 WeakPolarHBondContact O-CB 3.41Å; L163-Q167 VanDerWaalsContact O-CG 3.3Å; L163-Q167 WeakPolarHBondContact O-CG 3.44Å; L163-Q167 PolarHBondContact O-N 3.45Å
164	E	74.1	Confident	64.9	Low	54 Å²	54	106.6 Å²	106.6	25%	0.252	54%	0.54	S	S	.	.	H	α-helix	trans	-61.2	-40	175.5	-70.6	174.3	-167.9	0	0	111.8	R160 L161 Q167 R168	R160-E164 IonicContact CZ-OE1 3.44Å; R160-E164 IonicContact NE-OE1 3.66Å; R160-E164 PolarHBondContact NE-OE1 3.32Å; R160-E164 IonicContact NH2-OE1 3.17Å; R160-E164 PolarHBondContact NH2-OE1 2.91Å; R160-E164 WeakPolarHBondContact O-CG 3.21Å; R160-E164 PolarHBondContact O-N 2.94Å; L161-E164 PolarHBondContact O-N 3.18Å; E164-Q167 PolarHBondContact O-N 3.25Å; E164-R168 PolarHBondContact O-N 3.39Å
165	A	68.6	Low	63.8	Low	60 Å²	60	109.9 Å²	109.9	50%	0.496	58%	0.579	S	S	.	*	H	α-helix	trans	-67.3	-40.5	176.1	0	0	0	0	0	112.6	L161 Q162 L163 Q167 R168 G169	L161-A165 WeakPolarHBondContact O-CB 3.01Å; L161-A165 PolarHBondContact O-N 3.17Å; Q162-A165 PolarHBondContact O-N 2.73Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.44Å; A165-Q167 VanDerWaalsContact C-N 3.34Å; A165-R168 PolarHBondContact O-N 2.97Å; A165-G169 PolarHBondContact O-N 3.42Å
166	I	69.4	Low	62.5	Low	101 Å²	101	107.5 Å²	107.5	52%	0.518	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-40.3	175.1	-68.3	164.3	0	0	0	110.6	Q162 L163 G169 K170	Q162-I166 VanDerWaalsContact O-CG1 3.27Å; Q162-I166 WeakPolarHBondContact O-CG1 3Å; Q162-I166 PolarHBondContact O-N 2.92Å; L163-I166 PolarHBondContact O-N 3.11Å; I166-G169 PolarHBondContact O-N 3.01Å; I166-K170 PolarHBondContact O-N 3.04Å; I166-K170 VanDerWaalsContact O-N 3.08Å
167	Q	68.8	Low	61	Low	136 Å²	136	109.6 Å²	109.6	64%	0.636	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-41.2	176.4	-74.2	174.7	-3.7	0	0	111.8	L163 E164 A165 G169 K170 G171	L163-Q167 WeakPolarHBondContact O-CB 3.41Å; L163-Q167 VanDerWaalsContact O-CG 3.3Å; L163-Q167 WeakPolarHBondContact O-CG 3.44Å; L163-Q167 PolarHBondContact O-N 3.45Å; E164-Q167 PolarHBondContact O-N 3.25Å; A165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-G169 VanDerWaalsContact C-N 3.3Å; Q167-G169 PolarHBondContact O-N 3.41Å; Q167-K170 PolarHBondContact O-N 2.94Å; Q167-G171 PolarHBondContact O-N 2.89Å
168	R	63	Low	59.3	Low	194 Å²	194	113.5 Å²	113.5	73%	0.732	61%	0.612	S	S	*	*	H	α-helix	trans	-61.6	-36.5	170.9	-77.3	-175.4	178.7	123.9	-0.3	112.7	E164 A165 K170 G171	E164-R168 PolarHBondContact O-N 3.39Å; A165-R168 PolarHBondContact O-N 2.97Å; R168-K170 VanDerWaalsContact C-N 3.31Å; R168-K170 PolarHBondContact O-N 3.44Å; R168-G171 PolarHBondContact O-N 3.14Å
169	G	56.2	Low	57.8	Low	54 Å²	54	120 Å²	120	56%	0.557	64%	0.641	S	S	*	*	H	α-helix	trans	-68.2	-24.5	175	0	0	0	0	0	114.5	A165 I166 Q167	A165-G169 PolarHBondContact O-N 3.42Å; I166-G169 PolarHBondContact O-N 3.01Å; Q167-G169 VanDerWaalsContact C-N 3.3Å; Q167-G169 PolarHBondContact O-N 3.41Å
170	K	50.7	Low	56.1	Low	172 Å²	172	126.8 Å²	126.8	75%	0.748	66%	0.658	S	S	*	*	H	α-helix	trans	-82.6	-9.8	174.6	-73.4	-173.9	178.3	-172.8	0	113.9	I166 Q167 R168	I166-K170 PolarHBondContact O-N 3.04Å; I166-K170 VanDerWaalsContact O-N 3.08Å; Q167-K170 PolarHBondContact O-N 2.94Å; R168-K170 VanDerWaalsContact C-N 3.31Å; R168-K170 PolarHBondContact O-N 3.44Å
171	G	45.6	Very low	54.1	Low	62 Å²	62	124.5 Å²	124.5	64%	0.639	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	4	178.5	0	0	0	0	0	115.2	Q167 R168 V173	Q167-G171 PolarHBondContact O-N 2.89Å; R168-G171 PolarHBondContact O-N 3.14Å; G171-V173 PolarHBondContact O-N 2.86Å
172	M	46.3	Very low	52.7	Low	166 Å²	166	126.5 Å²	126.5	82%	0.818	69%	0.69	S	S	*	*			trans	-89.5	74.8	175.1	-72.9	-173.6	70.8	0	0	111.1
173	V	44.3	Very low	51	Low	121 Å²	121	129.4 Å²	129.4	73%	0.733	70%	0.704	S	S	*	*	S	Bend	trans	-119.4	119.6	155.2	-172.8	0	0	0	0	105.3	G171	G171-V173 PolarHBondContact O-N 2.86Å
174	H	44.7	Very low	49.5	Very low	173 Å²	173	131.7 Å²	131.7	80%	0.801	72%	0.716	S	S	*	*	S	Bend	trans	74	57.3	179.2	-79.9	52.1	0	0	0	118.1	V176	H174-V176 WeakPolarHBondContact O-CG2 3.48Å; H174-V176 PolarHBondContact O-N 3.25Å
175	G	46.6	Very low	47.9	Very low	87 Å²	87	135.1 Å²	135.1	90%	0.897	75%	0.746	S	S	*	*	S	Bend	trans	44.7	17.3	138.4	0	0	0	0	0	121.9
176	V	43.1	Very low	46.6	Very low	126 Å²	126	135.4 Å²	135.4	76%	0.764	75%	0.754	S	S	*	*			trans	-121.5	121.5	-176.5	179.1	0	0	0	0	108.3	H174 E178	H174-V176 WeakPolarHBondContact O-CG2 3.48Å; H174-V176 PolarHBondContact O-N 3.25Å; V176-E178 PolarHBondContact O-N 3.34Å
177	M	43.7	Very low	45.3	Very low	174 Å²	174	136.3 Å²	136.3	86%	0.857	76%	0.76	S	S	*	*			trans	-80.5	97.7	175.6	-160	168.2	89.2	0	0	108.5
178	E	36.5	Very low	44.5	Very low	158 Å²	158	136.6 Å²	136.6	74%	0.738	76%	0.761	S	S	*	*			trans	-66.1	132.5	172.1	-106.9	177.1	167.2	0	0	110.8	V176 Y180	V176-E178 PolarHBondContact O-N 3.34Å; E178-Y180 PolarHBondContact O-N 2.86Å; E178-Y180 VanDerWaalsContact O-N 3.15Å
179	H	39.9	Very low	43.8	Very low	184 Å²	184	133.6 Å²	133.6	85%	0.852	77%	0.767	S	S	*	*			trans	-67.3	107.5	174.6	-85	43.8	0	0	0	109.9
180	Y	40.4	Very low	43.8	Very low	204 Å²	204	136.5 Å²	136.5	80%	0.8	77%	0.769	S	S	*	*			trans	-80.2	134.4	167.5	-89.7	-96.1	0	0	0	110.1	E178 A182	E178-Y180 PolarHBondContact O-N 2.86Å; E178-Y180 VanDerWaalsContact O-N 3.15Å; Y180-A182 PolarHBondContact O-N 3.37Å
181	P	36.7	Very low	44.8	Very low	115 Å²	115	130.5 Å²	130.5	75%	0.747	75%	0.749	S	S	*	*			trans	-63.6	127.4	173.5	23.7	-28.9	0	0	0	109.9	E183	P181-E183 PolarHBondContact O-N 2.87Å
182	A	41.6	Very low	46.3	Very low	106 Å²	106	130.8 Å²	130.8	88%	0.876	73%	0.731	S	S	*	*			trans	-74	70.7	175.5	0	0	0	0	0	110.6	Y180	Y180-A182 PolarHBondContact O-N 3.37Å
183	E	38.8	Very low	47.9	Very low	172 Å²	172	125.4 Å²	125.4	80%	0.804	70%	0.704	S	S	*	*			trans	-131.1	77.1	164.4	-79.1	-166.1	153.8	0	0	109.7	P181	P181-E183 PolarHBondContact O-N 2.87Å
184	L	40.7	Very low	49.7	Very low	146 Å²	146	122.2 Å²	122.2	76%	0.764	68%	0.679	S	S	*	*			trans	-129.9	68.5	153.1	-148.1	84.5	0	0	0	108.7	G186 L187	L184-G186 PolarHBondContact O-N 2.91Å; L184-L187 HydrophobicContact CD2-CD1 4.24Å
185	S	41	Very low	51.5	Low	126 Å²	126	114.2 Å²	114.2	88%	0.881	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	106.6	162.9	-64	0	0	0	0	108.6
186	G	39.8	Very low	53.3	Low	66 Å²	66	111.9 Å²	111.9	68%	0.68	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.5	-13.4	168	0	0	0	0	0	118.5	L184 Q188	L184-G186 PolarHBondContact O-N 2.91Å; G186-Q188 PolarHBondContact O-N 3.31Å; G186-Q188 VanDerWaalsContact O-N 3.09Å
187	L	43.8	Very low	55.5	Low	120 Å²	120	107.6 Å²	107.6	63%	0.628	59%	0.594	S	S	*	*			trans	-86.4	86.5	175.9	-76.2	163.4	0	0	0	110	L184 P189	L184-L187 HydrophobicContact CD2-CD1 4.24Å; L187-P189 WeakPolarHBondContact O-CD 3.02Å
188	Q	50.2	Low	57.8	Low	142 Å²	142	99.6 Å²	99.6	66%	0.664	56%	0.555	S	S	*	*			trans	-46.6	123.7	165.5	-75.8	-93.2	-20.8	0	0	108.9	G186 D190 S191	G186-Q188 PolarHBondContact O-N 3.31Å; G186-Q188 VanDerWaalsContact O-N 3.09Å; Q188-D190 PolarHBondContact O-N 3.17Å; Q188-S191 WeakPolarHBondContact O-CB 3.49Å; Q188-S191 PolarHBondContact O-N 3.22Å; Q188-S191 PolarHBondContact O-OG 3.45Å
189	P	50	Low	60.6	Low	132 Å²	132	92.4 Å²	92.4	86%	0.857	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-13.9	177.9	-25.5	33.5	0	0	0	114.2	L187	L187-P189 WeakPolarHBondContact O-CD 3.02Å
190	D	55	Low	63.2	Low	114 Å²	114	85 Å²	85	61%	0.61	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	14.1	178	-113	-25.5	0	0	0	114.2	Q188 W192 K257	Q188-D190 PolarHBondContact O-N 3.17Å; D190-W192 VanDerWaalsContact O-CD1 3.28Å; D190-W192 PolarHBondContact O-N 3.38Å; D190-K257 IonicContact OD1-NZ 3.01Å; D190-K257 PolarHBondContact OD1-NZ 3.48Å
191	S	72.9	Confident	65.8	Low	47 Å²	47	76.1 Å²	76.1	33%	0.329	46%	0.456	S	S	.	.			trans	-66.4	125.2	172.9	59.3	0	0	0	0	110.3	Q188	Q188-S191 WeakPolarHBondContact O-CB 3.49Å; Q188-S191 PolarHBondContact O-N 3.22Å; Q188-S191 PolarHBondContact O-OG 3.45Å
192	W	76.7	Confident	68.6	Low	68 Å²	68	74.8 Å²	74.8	26%	0.258	44%	0.44	S	S	.	.			trans	-135.1	154.5	174.6	60.1	-85.3	0	0	0	107.6	D190 W194 R243 K257 C259	D190-W192 VanDerWaalsContact O-CD1 3.28Å; D190-W192 PolarHBondContact O-N 3.38Å; W192-W194 AromaticContact CH2-CD2 3.77Å; W192-W194 HydrophobicContact CH2-CD2 3.77Å; W192-W194 AromaticContact CH2-CE2 3.36Å; W192-W194 HydrophobicContact CH2-CE3 4.16Å; W192-W194 HydrophobicContact CH2-CG 4.38Å; W192-W194 AromaticContact CH2-CH2 3.79Å; W192-W194 HydrophobicContact CH2-CH2 3.79Å; W192-W194 AromaticContact CH2-CZ2 3.42Å; W192-W194 HydrophobicContact CH2-CZ2 3.42Å; W192-W194 VanDerWaalsContact CH2-CZ2 3.42Å; W192-W194 HydrophobicContact CH2-CZ3 4.15Å; W192-W194 AromaticContact CH2-NE1 3.75Å; W192-W194 AromaticContact CZ3-CD2 3.43Å; W192-W194 HydrophobicContact CZ3-CD2 3.43Å; W192-W194 VanDerWaalsContact CZ3-CD2 3.43Å; W192-W194 AromaticContact CZ3-CE2 3.56Å; W192-W194 AromaticContact CZ3-CE3 3.72Å; W192-W194 HydrophobicContact CZ3-CE3 3.72Å; W192-W194 AromaticContact CZ3-CG 3.81Å; W192-W194 HydrophobicContact CZ3-CG 3.81Å; W192-W194 HydrophobicContact CZ3-CH2 4.18Å; W192-W194 AromaticContact CZ3-CZ2 3.99Å; W192-W194 HydrophobicContact CZ3-CZ2 3.99Å; W192-W194 HydrophobicContact CZ3-CZ3 4.06Å; W192-W194 AromaticContact CZ3-NE1 3.93Å; W192-R243 VanDerWaalsContact CE2-CZ 3.42Å; W192-K257 HydrophobicContact CB-CD 4.22Å; W192-K257 HydrophobicContact CB-CG 3.6Å; W192-C259 HydrophobicContact CD2-CB 4.25Å; W192-C259 HydrophobicContact CE3-CB 3.45Å; W192-C259 VanDerWaalsContact CE3-CB 3.45Å; W192-C259 HydrophobicContact CZ3-CB 3.73Å
193	E	79.8	Confident	71.2	Confident	52 Å²	52	71.9 Å²	71.9	24%	0.243	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.5	-178.4	-60.1	-68.5	175.2	0	0	109.3	F154 K157 K257 T258 C259	F154-E193 HydrophobicContact CB-CB 4.2Å; F154-E193 HydrophobicContact CD2-CB 3.34Å; F154-E193 HydrophobicContact CD2-CG 3.79Å; F154-E193 HydrophobicContact CE2-CB 4.06Å; F154-E193 HydrophobicContact CE2-CG 4.39Å; F154-E193 HydrophobicContact CG-CB 4.09Å; K157-E193 HydrophobicContact CD-CG 4.36Å; K157-E193 IonicContact NZ-OE1 2.81Å; K157-E193 PolarHBondContact NZ-OE1 3.06Å; E193-K257 PolarHBondContact N-O 3.41Å; E193-T258 CarbonylContact O-C 3.57Å; E193-T258 WeakPolarHBondContact O-CA 3.38Å; E193-C259 PolarHBondContact O-N 3.44Å
194	W	81.6	Confident	74	Confident	55 Å²	55	63.7 Å²	63.7	21%	0.208	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	145.1	170.1	-69.4	108.8	0	0	0	110.2	D150 F154 W192 C259 Q261	D150-W194 HydrophobicContact CB-CB 3.42Å; D150-W194 VanDerWaalsContact CB-CB 3.42Å; D150-W194 HydrophobicContact CB-CG 3.97Å; D150-W194 VanDerWaalsContact OD2-CD1 3.29Å; F154-W194 WeakPolarHBondContact CB-O 3.37Å; W192-W194 AromaticContact CH2-CD2 3.77Å; W192-W194 HydrophobicContact CH2-CD2 3.77Å; W192-W194 AromaticContact CH2-CE2 3.36Å; W192-W194 HydrophobicContact CH2-CE3 4.16Å; W192-W194 HydrophobicContact CH2-CG 4.38Å; W192-W194 AromaticContact CH2-CH2 3.79Å; W192-W194 HydrophobicContact CH2-CH2 3.79Å; W192-W194 AromaticContact CH2-CZ2 3.42Å; W192-W194 HydrophobicContact CH2-CZ2 3.42Å; W192-W194 VanDerWaalsContact CH2-CZ2 3.42Å; W192-W194 HydrophobicContact CH2-CZ3 4.15Å; W192-W194 AromaticContact CH2-NE1 3.75Å; W192-W194 AromaticContact CZ3-CD2 3.43Å; W192-W194 HydrophobicContact CZ3-CD2 3.43Å; W192-W194 VanDerWaalsContact CZ3-CD2 3.43Å; W192-W194 AromaticContact CZ3-CE2 3.56Å; W192-W194 AromaticContact CZ3-CE3 3.72Å; W192-W194 HydrophobicContact CZ3-CE3 3.72Å; W192-W194 AromaticContact CZ3-CG 3.81Å; W192-W194 HydrophobicContact CZ3-CG 3.81Å; W192-W194 HydrophobicContact CZ3-CH2 4.18Å; W192-W194 AromaticContact CZ3-CZ2 3.99Å; W192-W194 HydrophobicContact CZ3-CZ2 3.99Å; W192-W194 HydrophobicContact CZ3-CZ3 4.06Å; W192-W194 AromaticContact CZ3-NE1 3.93Å; W194-C259 WeakPolarHBondContact CA-O 3.36Å; W194-Q261 HydrophobicContact CH2-CG 4.06Å; W194-Q261 HydrophobicContact CZ3-CG 3.99Å
195	G	82.2	Confident	76.7	Confident	5 Å²	5	58 Å²	58	5%	0.052	34%	0.339	C	S	.	.			trans	177.4	175.9	170.7	0	0	0	0	0	111	T258 C259 W260	G195-T258 VanDerWaalsContact CA-CG2 3.47Å; G195-C259 PolarHBondContact N-O 3.2Å; G195-C259 VanDerWaalsContact O-O 3.14Å; G195-W260 WeakPolarHBondContact O-CB 3.3Å
196	G	85.1	Confident	79.4	Confident	37 Å²	37	57.4 Å²	57.4	38%	0.381	32%	0.32	S	S	.	.	S	Bend	trans	73.6	-175.9	-170.6	0	0	0	0	0	112.2	E151	E151-G196 PolarHBondContact OE1-N 3.43Å
197	C	89.6	Confident	82.1	Confident	36 Å²	36	54.7 Å²	54.7	24%	0.243	29%	0.29	C	S	.	.			trans	-97.6	108.3	-171.8	-172.3	0	0	0	0	111.7	S134 C143	S134-C197 WeakPolarHBondContact CA-SG 3.31Å; S134-C197 VanDerWaalsContact CB-SG 3.6Å; S134-C197 PolarHBondContact O-SG 3.01Å; C143-C197 VanDerWaalsContact CA-SG 3.58Å; C143-C197 HydrophobicContact CB-CB 4.08Å; C143-C197 WeakPolarHBondContact CB-SG 3.28Å; C143-C197 WeakPolarHBondContact SG-CB 3.31Å; C143-C197 CovalentContact SG-SG 2.02Å; C143-C197 PolarHBondContact SG-SG 3.47Å
198	S	92.4	Very high	84.6	Confident	7 Å²	7	49 Å²	49	5%	0.049	26%	0.26	C	S	.	.			trans	-81.8	133.7	170.6	-64.4	0	0	0	0	110.3	C143 D144 D200 Q261	C143-S198 WeakPolarHBondContact CA-O 3.32Å; D144-S198 PolarHBondContact N-O 2.87Å; S198-D200 PolarHBondContact O-N 3.06Å; S198-Q261 PolarHBondContact OG-N 2.83Å
199	P	93.6	Very high	86.8	Confident	6 Å²	6	47 Å²	47	4%	0.039	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-59	131.6	173.8	-25.3	35.3	0	0	0	113.3	A130 V201 Q261 T263	A130-P199 HydrophobicContact CB-CB 3.96Å; A130-P199 WeakPolarHBondContact O-CB 3.5Å; P199-V201 VanDerWaalsContact C-N 3.33Å; P199-V201 PolarHBondContact O-N 2.85Å; P199-Q261 WeakPolarHBondContact CD-O 3.46Å; P199-T263 HydrophobicContact CB-CG2 4.03Å; P199-T263 HydrophobicContact CG-CG2 4.15Å
200	D	94.6	Very high	88.9	Confident	28 Å²	28	43.9 Å²	43.9	15%	0.15	22%	0.222	C	C	.	.			trans	-78	83.2	172.5	-171.9	-11.4	0	0	0	110.5	S198 E202 F203 G204	S198-D200 PolarHBondContact O-N 3.06Å; D200-E202 PolarHBondContact O-N 3.49Å; D200-E202 PolarHBondContact OD1-N 3.44Å; D200-E202 VanDerWaalsContact OD1-N 3.17Å; D200-F203 HydrophobicContact CB-CB 4.15Å; D200-F203 WeakPolarHBondContact OD1-CB 3.41Å; D200-F203 PolarHBondContact OD1-N 3.22Å; D200-F203 WeakPolarHBondContact OD2-CB 3.2Å; D200-G204 PolarHBondContact O-N 2.89Å
201	V	95.4	Very high	90.7	Very high	18 Å²	18	38.5 Å²	38.5	11%	0.109	19%	0.193	C	C	.	.	H	α-helix	trans	-70.9	-18.6	177.5	-68.3	0	0	0	0	113.5	V126 A130 P199 G204 E205 L238 M241 T263	V126-V201 HydrophobicContact CG1-CB 4.48Å; A130-V201 HydrophobicContact CB-CB 4.36Å; A130-V201 HydrophobicContact CB-CG1 3.72Å; P199-V201 VanDerWaalsContact C-N 3.33Å; P199-V201 PolarHBondContact O-N 2.85Å; V201-G204 PolarHBondContact O-N 3.45Å; V201-E205 WeakPolarHBondContact O-CB 3.4Å; V201-E205 PolarHBondContact O-N 3.39Å; V201-L238 HydrophobicContact CB-CG 4.48Å; V201-L238 HydrophobicContact CG2-CG 4.27Å; V201-M241 HydrophobicContact CG1-CE 3.7Å; V201-M241 HydrophobicContact CG1-CG 4.49Å; V201-M241 HydrophobicContact CG1-SD 3.49Å; V201-M241 WeakPolarHBondContact CG1-SD 3.45Å; V201-M241 HydrophobicContact CG2-CG 4.5Å; V201-M241 HydrophobicContact CG2-SD 4.48Å; V201-T263 HydrophobicContact CG1-CG2 4.11Å
202	E	95.4	Very high	91.6	Very high	87 Å²	87	36.2 Å²	36.2	41%	0.407	18%	0.178	S	C	.	.	H	α-helix	trans	-78.4	-40.8	179.9	-61.8	171.1	171.1	0	0	110.1	K146 D200 G204 E205 K206	K146-E202 WeakPolarHBondContact CE-OE2 3.4Å; K146-E202 IonicContact NZ-OE1 3.89Å; K146-E202 PolarHBondContact NZ-OE1 2.85Å; K146-E202 IonicContact NZ-OE2 3.96Å; K146-E202 PolarHBondContact NZ-OE2 3.39Å; D200-E202 PolarHBondContact O-N 3.49Å; D200-E202 PolarHBondContact OD1-N 3.44Å; D200-E202 VanDerWaalsContact OD1-N 3.17Å; E202-G204 VanDerWaalsContact C-N 3.33Å; E202-E205 PolarHBondContact O-N 3.45Å; E202-K206 WeakPolarHBondContact O-CB 3.28Å; E202-K206 PolarHBondContact O-N 3Å
203	F	96.9	Very high	92.3	Very high	45 Å²	45	34 Å²	34	20%	0.197	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-46.3	166.5	-178.8	-88.7	0	0	0	111.1	V65 V129 C133 A140 C141 D200 E205 K206 F207	V65-F203 HydrophobicContact CG1-CE1 3.88Å; V65-F203 HydrophobicContact CG1-CZ 4.39Å; V65-F203 HydrophobicContact CG2-CE1 4.16Å; V65-F203 HydrophobicContact CG2-CZ 4.11Å; V129-F203 HydrophobicContact CG1-CD1 3.73Å; V129-F203 HydrophobicContact CG1-CE1 3.79Å; C133-F203 VanDerWaalsContact SG-CD1 3.59Å; A140-F203 HydrophobicContact CB-CE2 4.31Å; A140-F203 HydrophobicContact CB-CZ 3.8Å; C141-F203 HydrophobicContact CB-CB 4.5Å; C141-F203 HydrophobicContact CB-CD1 3.65Å; C141-F203 HydrophobicContact CB-CD2 3.9Å; C141-F203 HydrophobicContact CB-CE1 3.73Å; C141-F203 HydrophobicContact CB-CE2 3.96Å; C141-F203 HydrophobicContact CB-CG 3.75Å; C141-F203 HydrophobicContact CB-CZ 3.89Å; C141-F203 VanDerWaalsContact SG-CE1 3.54Å; D200-F203 HydrophobicContact CB-CB 4.15Å; D200-F203 WeakPolarHBondContact OD1-CB 3.41Å; D200-F203 PolarHBondContact OD1-N 3.22Å; D200-F203 WeakPolarHBondContact OD2-CB 3.2Å; F203-E205 PolarHBondContact O-N 2.99Å; F203-K206 PolarHBondContact O-N 3.26Å; F203-F207 WeakPolarHBondContact O-CB 3.36Å; F203-F207 PolarHBondContact O-N 2.97Å
204	G	97.3	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-44.1	175.2	0	0	0	0	0	113.2	D200 V201 E202 S208	D200-G204 PolarHBondContact O-N 2.89Å; V201-G204 PolarHBondContact O-N 3.45Å; E202-G204 VanDerWaalsContact C-N 3.33Å; G204-S208 WeakPolarHBondContact O-CB 3.47Å; G204-S208 PolarHBondContact O-N 3.29Å
205	E	97.5	Very high	92	Very high	27 Å²	27	33.8 Å²	33.8	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-50.3	175.2	-167.4	-72.8	145.7	0	0	111.4	V201 E202 F203 S208 R209 R234 L238	V201-E205 WeakPolarHBondContact O-CB 3.4Å; V201-E205 PolarHBondContact O-N 3.39Å; E202-E205 PolarHBondContact O-N 3.45Å; F203-E205 PolarHBondContact O-N 2.99Å; E205-S208 PolarHBondContact O-N 3.47Å; E205-R209 WeakPolarHBondContact O-CB 3.38Å; E205-R209 PolarHBondContact O-N 3.23Å; E205-R209 IonicContact OE1-NH1 3.64Å; E205-R209 IonicContact OE2-CZ 3.03Å; E205-R209 IonicContact OE2-NH1 3.24Å; E205-R209 PolarHBondContact OE2-NH1 2.87Å; E205-R234 HydrophobicContact CG-CB 4.17Å; E205-R234 WeakPolarHBondContact O-CD 3.42Å; E205-R234 IonicContact OE1-CZ 2.74Å; E205-R234 IonicContact OE1-NE 3.36Å; E205-R234 PolarHBondContact OE1-NE 2.95Å; E205-R234 IonicContact OE1-NH2 3.76Å; E205-L238 HydrophobicContact CB-CD1 4.19Å; E205-L238 HydrophobicContact CG-CD1 4.22Å; E205-L238 HydrophobicContact CG-CD2 4.47Å
206	K	97	Very high	91.3	Very high	114 Å²	114	35.9 Å²	35.9	50%	0.496	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-46.6	-178.7	-178.4	-179.5	177.5	-173.1	0	111	E202 F203 R209 D210	E202-K206 WeakPolarHBondContact O-CB 3.28Å; E202-K206 PolarHBondContact O-N 3Å; F203-K206 PolarHBondContact O-N 3.26Å; K206-R209 PolarHBondContact O-N 2.85Å; K206-D210 WeakPolarHBondContact O-CB 3.36Å; K206-D210 PolarHBondContact O-N 3.41Å
207	F	97.3	Very high	90.3	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-46.2	176.9	-174.7	-86.9	0	0	0	111.5	V58 N62 V65 A69 V125 V129 F203 R209 D210 F211	V58-F207 HydrophobicContact CG1-CE2 3.98Å; V58-F207 HydrophobicContact CG1-CZ 4.32Å; N62-F207 HydrophobicContact CB-CE2 4.25Å; V65-F207 HydrophobicContact CB-CD2 4.08Å; V65-F207 HydrophobicContact CB-CE2 3.76Å; V65-F207 HydrophobicContact CB-CZ 4.11Å; V65-F207 HydrophobicContact CG1-CB 4.38Å; V65-F207 HydrophobicContact CG1-CD1 3.84Å; V65-F207 HydrophobicContact CG1-CD2 3.37Å; V65-F207 HydrophobicContact CG1-CE1 3.96Å; V65-F207 HydrophobicContact CG1-CE2 3.48Å; V65-F207 VanDerWaalsContact CG1-CE2 3.48Å; V65-F207 HydrophobicContact CG1-CG 3.56Å; V65-F207 HydrophobicContact CG1-CZ 3.78Å; A69-F207 HydrophobicContact CB-CD1 4.2Å; A69-F207 HydrophobicContact CB-CE1 3.54Å; A69-F207 HydrophobicContact CB-CZ 4.48Å; V125-F207 HydrophobicContact CG1-CD1 4.07Å; V129-F207 HydrophobicContact CG2-CD1 4.21Å; F203-F207 WeakPolarHBondContact O-CB 3.36Å; F203-F207 PolarHBondContact O-N 2.97Å; F207-R209 VanDerWaalsContact C-N 3.3Å; F207-R209 PolarHBondContact O-N 3.39Å; F207-D210 PolarHBondContact O-N 3.06Å; F207-F211 HydrophobicContact CD1-CB 4.33Å; F207-F211 HydrophobicContact CE1-CB 3.9Å; F207-F211 HydrophobicContact CE1-CD1 4.48Å; F207-F211 HydrophobicContact CE1-CG 4.12Å; F207-F211 HydrophobicContact CZ-CB 4.26Å; F207-F211 HydrophobicContact CZ-CD2 4.45Å; F207-F211 HydrophobicContact CZ-CG 4.35Å; F207-F211 VanDerWaalsContact O-CB 3.26Å; F207-F211 WeakPolarHBondContact O-CB 3.34Å; F207-F211 PolarHBondContact O-N 3.06Å
208	S	96.7	Very high	89.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-42.5	176.9	179.6	0	0	0	0	111.7	A122 G204 E205 L212 R234	A122-S208 PolarHBondContact O-OG 3.24Å; G204-S208 WeakPolarHBondContact O-CB 3.47Å; G204-S208 PolarHBondContact O-N 3.29Å; E205-S208 PolarHBondContact O-N 3.47Å; S208-L212 WeakPolarHBondContact O-CB 3.4Å; S208-L212 VanDerWaalsContact O-CG 3.28Å; S208-L212 WeakPolarHBondContact O-CG 3.34Å; S208-L212 PolarHBondContact O-N 2.95Å; S208-L212 WeakPolarHBondContact OG-CD1 3.45Å; S208-R234 WeakPolarHBondContact OG-CD 3.21Å
209	R	95.4	Very high	88	Confident	101 Å²	101	54.7 Å²	54.7	38%	0.381	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-55.7	172.9	-177.3	178.9	67.6	-144.8	7.6	111.3	E205 K206 F207 F211 D213	E205-R209 WeakPolarHBondContact O-CB 3.38Å; E205-R209 PolarHBondContact O-N 3.23Å; E205-R209 IonicContact OE1-NH1 3.64Å; E205-R209 IonicContact OE2-CZ 3.03Å; E205-R209 IonicContact OE2-NH1 3.24Å; E205-R209 PolarHBondContact OE2-NH1 2.87Å; K206-R209 PolarHBondContact O-N 2.85Å; F207-R209 VanDerWaalsContact C-N 3.3Å; F207-R209 PolarHBondContact O-N 3.39Å; R209-F211 PolarHBondContact O-N 2.94Å; R209-D213 WeakPolarHBondContact CG-OD2 3.32Å; R209-D213 WeakPolarHBondContact O-CA 3.31Å; R209-D213 WeakPolarHBondContact O-CB 3.37Å; R209-D213 PolarHBondContact O-N 3.39Å
210	D	94.1	Very high	87.5	Confident	66 Å²	66	58.9 Å²	58.9	35%	0.353	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-32.2	-174.5	-66.6	-11.1	0	0	0	111.8	V58 K206 F207 A214	V58-D210 HydrophobicContact CG2-CB 4.46Å; K206-D210 WeakPolarHBondContact O-CB 3.36Å; K206-D210 PolarHBondContact O-N 3.41Å; F207-D210 PolarHBondContact O-N 3.06Å; D210-A214 WeakPolarHBondContact O-CB 3.33Å
211	F	93.2	Very high	87.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-88.3	-47.1	-179.4	-172.8	-107.8	0	0	0	114	L51 Q55 V58 T66 I70 I100 F207 R209	L51-F211 HydrophobicContact CD2-CE2 3.74Å; L51-F211 HydrophobicContact CD2-CZ 3.81Å; Q55-F211 HydrophobicContact CB-CD2 4.41Å; Q55-F211 HydrophobicContact CB-CE2 4.19Å; Q55-F211 VanDerWaalsContact CG-O 3.29Å; Q55-F211 WeakPolarHBondContact CG-O 3.41Å; Q55-F211 PolarHBondContact NE2-O 3.01Å; V58-F211 HydrophobicContact CB-CD2 4.43Å; V58-F211 HydrophobicContact CG1-CB 4.19Å; V58-F211 HydrophobicContact CG1-CD2 4.07Å; T66-F211 HydrophobicContact CG2-CE2 3.82Å; T66-F211 HydrophobicContact CG2-CZ 3.83Å; I70-F211 HydrophobicContact CD1-CE1 4.5Å; I100-F211 HydrophobicContact CD1-CZ 4.15Å; F207-F211 HydrophobicContact CD1-CB 4.33Å; F207-F211 HydrophobicContact CE1-CB 3.9Å; F207-F211 HydrophobicContact CE1-CD1 4.48Å; F207-F211 HydrophobicContact CE1-CG 4.12Å; F207-F211 HydrophobicContact CZ-CB 4.26Å; F207-F211 HydrophobicContact CZ-CD2 4.45Å; F207-F211 HydrophobicContact CZ-CG 4.35Å; F207-F211 VanDerWaalsContact O-CB 3.26Å; F207-F211 WeakPolarHBondContact O-CB 3.34Å; F207-F211 PolarHBondContact O-N 3.06Å; R209-F211 PolarHBondContact O-N 2.94Å
212	L	91.6	Very high	86.8	Confident	0 Å²	0	59 Å²	59	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-83.8	-26.5	-175.1	-53.8	177.3	0	0	0	112.7	I73 Y102 A122 V125 S208	I73-L212 HydrophobicContact CD1-CD2 4.19Å; Y102-L212 HydrophobicContact CE2-CB 4.27Å; Y102-L212 HydrophobicContact CE2-CD2 3.58Å; Y102-L212 HydrophobicContact CE2-CG 4.44Å; Y102-L212 WeakPolarHBondContact OH-CD2 3.48Å; A122-L212 VanDerWaalsContact CA-CD1 3.5Å; A122-L212 HydrophobicContact CB-CD1 3.87Å; V125-L212 HydrophobicContact CB-CD1 4.35Å; V125-L212 HydrophobicContact CG2-CD1 3.92Å; V125-L212 HydrophobicContact CG2-CD2 4.24Å; V125-L212 HydrophobicContact CG2-CG 4.43Å; S208-L212 WeakPolarHBondContact O-CB 3.4Å; S208-L212 VanDerWaalsContact O-CG 3.28Å; S208-L212 WeakPolarHBondContact O-CG 3.34Å; S208-L212 PolarHBondContact O-N 2.95Å; S208-L212 WeakPolarHBondContact OG-CD1 3.45Å
213	D	91.1	Very high	86.5	Confident	22 Å²	22	54.8 Å²	54.8	12%	0.118	24%	0.244	C	C	.	.	S	Bend	trans	-94.6	-7.2	-179.1	-55.2	-20.7	0	0	0	112	R209 R215 E216 L227 N230 R234	R209-D213 WeakPolarHBondContact CG-OD2 3.32Å; R209-D213 WeakPolarHBondContact O-CA 3.31Å; R209-D213 WeakPolarHBondContact O-CB 3.37Å; R209-D213 PolarHBondContact O-N 3.39Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 3.35Å; D213-R215 VanDerWaalsContact O-N 3.15Å; D213-E216 PolarHBondContact O-N 3.07Å; D213-L227 HydrophobicContact CB-CD2 3.4Å; D213-N230 PolarHBondContact OD1-ND2 3.02Å; D213-R234 IonicContact OD1-NH1 3.43Å; D213-R234 IonicContact OD2-CZ 3.45Å; D213-R234 IonicContact OD2-NH1 3.17Å; D213-R234 PolarHBondContact OD2-NH1 3.08Å; D213-R234 IonicContact OD2-NH2 2.82Å; D213-R234 PolarHBondContact OD2-NH2 3.34Å
214	A	82.8	Confident	86	Confident	8 Å²	8	54.6 Å²	54.6	7%	0.066	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.5	-176.6	0	0	0	0	0	115.4	R54 Q55 D210 E216	R54-A214 HydrophobicContact CB-CB 4.02Å; R54-A214 VanDerWaalsContact CD-O 3.31Å; R54-A214 WeakPolarHBondContact CD-O 3.07Å; R54-A214 HydrophobicContact CG-CB 3.76Å; Q55-A214 HydrophobicContact CG-CB 3.68Å; D210-A214 WeakPolarHBondContact O-CB 3.33Å; A214-E216 PolarHBondContact O-N 3.38Å
215	R	73.4	Confident	85.8	Confident	94 Å²	94	54.6 Å²	54.6	36%	0.355	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.4	178.5	-174.6	168	144.3	171.5	-1.9	111	T52 D213	T52-R215 HydrophobicContact CG2-CB 4.09Å; T52-R215 HydrophobicContact CG2-CG 3.8Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 3.35Å; D213-R215 VanDerWaalsContact O-N 3.15Å
216	E	67.1	Low	85.5	Confident	48 Å²	48	53.4 Å²	53.4	22%	0.224	24%	0.236	C	C	.	.			trans	-75.5	127.7	-154.1	-38.6	-176.1	-144.1	0	0	119.5	D213 A214 A223 R226	D213-E216 PolarHBondContact O-N 3.07Å; A214-E216 PolarHBondContact O-N 3.38Å; E216-A223 HydrophobicContact CB-CB 4.07Å; E216-A223 WeakPolarHBondContact OE2-CB 3.22Å; E216-R226 VanDerWaalsContact CB-NH2 3.28Å; E216-R226 VanDerWaalsContact CG-NH2 3.32Å; E216-R226 IonicContact OE1-CZ 3.9Å; E216-R226 IonicContact OE1-NH1 3.79Å; E216-R226 PolarHBondContact OE1-NH1 3.43Å; E216-R226 IonicContact OE1-NH2 3.7Å; E216-R226 PolarHBondContact OE1-NH2 2.99Å; E216-R226 IonicContact OE2-CZ 2.73Å; E216-R226 IonicContact OE2-NH1 3Å; E216-R226 IonicContact OE2-NH2 3.82Å; E216-R226 PolarHBondContact OE2-NH2 3.19Å
217	T	64.6	Low	85.2	Confident	88 Å²	88	48.9 Å²	48.9	54%	0.54	22%	0.217	S	C	.	.			trans	-111.9	138.8	150.2	65.5	0	0	0	0	110.1	R219 A223	T217-R219 PolarHBondContact O-N 3.38Å; T217-A223 VanDerWaalsContact O-CB 3.28Å; T217-A223 WeakPolarHBondContact O-CB 3.45Å
218	Y	63.6	Low	85	Confident	166 Å²	166	49.9 Å²	49.9	65%	0.651	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	15.7	-174.8	-89.2	-90.5	0	0	0	116	R224 L227	Y218-R224 HydrophobicContact CD1-CG 4.42Å; Y218-R224 PolarHBondContact O-NE 3.4Å; Y218-L227 HydrophobicContact CD1-CD1 4.05Å; Y218-L227 HydrophobicContact CD2-CD1 4.06Å; Y218-L227 HydrophobicContact CE1-CD1 3.66Å; Y218-L227 HydrophobicContact CE2-CD1 3.67Å; Y218-L227 HydrophobicContact CG-CD1 4.24Å; Y218-L227 VanDerWaalsContact CZ-CD1 3.46Å
219	R	70.1	Confident	85	Confident	222 Å²	222	49.9 Å²	49.9	84%	0.838	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-36.1	-167.2	-64.1	-174.4	177.3	-170.6	0.2	112.9	T217	T217-R219 PolarHBondContact O-N 3.38Å
220	D	83.1	Confident	85	Confident	94 Å²	94	45.1 Å²	45.1	50%	0.503	20%	0.204	S	C	.	.	S	Bend	trans	-102.6	151	-176.9	-169.2	13.2	0	0	0	112.7	H222 A223 R224	D220-H222 PolarHBondContact O-N 3.23Å; D220-A223 PolarHBondContact O-N 2.94Å; D220-R224 PolarHBondContact O-N 2.96Å; D220-R224 VanDerWaalsContact O-N 3.14Å
221	I	86.5	Confident	85.1	Confident	27 Å²	27	46.2 Å²	46.2	14%	0.138	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-36.1	173.4	-174.8	166.4	0	0	0	111.3	R224 M225 I283 A285 F329	I221-R224 PolarHBondContact O-N 2.83Å; I221-M225 WeakPolarHBondContact O-CB 3.18Å; I221-M225 PolarHBondContact O-N 3.27Å; I221-I283 HydrophobicContact CD1-CD1 4.06Å; I221-I283 HydrophobicContact CD1-CG1 4.47Å; I221-I283 HydrophobicContact CG1-CD1 4.04Å; I221-A285 HydrophobicContact CB-CB 4.43Å; I221-A285 HydrophobicContact CD1-CB 3.71Å; I221-A285 HydrophobicContact CG2-CB 4.48Å; I221-F329 HydrophobicContact CD1-CB 3.48Å; I221-F329 VanDerWaalsContact CD1-CB 3.48Å; I221-F329 HydrophobicContact CD1-CD1 4.22Å; I221-F329 HydrophobicContact CD1-CD2 4.3Å; I221-F329 HydrophobicContact CD1-CG 3.77Å; I221-F329 HydrophobicContact CG1-CB 4.11Å; I221-F329 HydrophobicContact CG1-CD1 3.92Å; I221-F329 HydrophobicContact CG1-CG 3.97Å; I221-F329 HydrophobicContact CG2-CD1 4.41Å; I221-F329 HydrophobicContact CG2-CD2 4.19Å; I221-F329 HydrophobicContact CG2-CE1 4.33Å; I221-F329 HydrophobicContact CG2-CE2 4.1Å; I221-F329 HydrophobicContact CG2-CG 4.33Å; I221-F329 HydrophobicContact CG2-CZ 4.15Å
222	H	87.9	Confident	85.3	Confident	20 Å²	20	46.4 Å²	46.4	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-47.3	177.9	-172.4	-81.2	0	0	0	111.9	F107 K108 R109 Y118 D220 R224 M225 R226 F329	F107-H222 PolarHBondContact O-CE1 3.3Å; F107-H222 PolarHBondContact O-NE2 3.09Å; K108-H222 PolarHBondContact O-NE2 3.41Å; R109-H222 PolarHBondContact O-NE2 3.49Å; Y118-H222 PolarHBondContact OH-CE1 3.29Å; Y118-H222 VanDerWaalsContact OH-CE1 3.26Å; D220-H222 PolarHBondContact O-N 3.23Å; H222-R224 VanDerWaalsContact C-N 3.32Å; H222-R224 PolarHBondContact O-N 3.21Å; H222-M225 PolarHBondContact O-N 3.23Å; H222-R226 PolarHBondContact O-N 3.49Å; H222-F329 HydrophobicContact CB-CE1 4.07Å; H222-F329 HydrophobicContact CB-CZ 3.97Å; H222-F329 AromaticContact CD2-CE1 3.97Å; H222-F329 AromaticContact CD2-CZ 3.81Å
223	A	88.3	Confident	85.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-44.2	174.8	0	0	0	0	0	111.7	E216 T217 D220 R226 L227	E216-A223 HydrophobicContact CB-CB 4.07Å; E216-A223 WeakPolarHBondContact OE2-CB 3.22Å; T217-A223 VanDerWaalsContact O-CB 3.28Å; T217-A223 WeakPolarHBondContact O-CB 3.45Å; D220-A223 PolarHBondContact O-N 2.94Å; A223-R226 PolarHBondContact O-N 3.02Å; A223-L227 WeakPolarHBondContact O-CB 3.23Å; A223-L227 WeakPolarHBondContact O-CG 2.99Å; A223-L227 PolarHBondContact O-N 3.13Å
224	R	88.5	Confident	85.9	Confident	41 Å²	41	45.7 Å²	45.7	16%	0.155	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-45.7	178.5	-66.2	-179.1	-171.4	-179.2	7.3	112.4	Y218 D220 I221 H222 R226 L227 H228 G291 L293	Y218-R224 HydrophobicContact CD1-CG 4.42Å; Y218-R224 PolarHBondContact O-NE 3.4Å; D220-R224 PolarHBondContact O-N 2.96Å; D220-R224 VanDerWaalsContact O-N 3.14Å; I221-R224 PolarHBondContact O-N 2.83Å; H222-R224 VanDerWaalsContact C-N 3.32Å; H222-R224 PolarHBondContact O-N 3.21Å; R224-R226 VanDerWaalsContact C-N 3.35Å; R224-L227 PolarHBondContact O-N 3Å; R224-H228 WeakPolarHBondContact O-CB 3.4Å; R224-H228 PolarHBondContact O-N 3.47Å; R224-G291 VanDerWaalsContact CZ-CA 3.5Å; R224-L293 HydrophobicContact CB-CD1 4.44Å; R224-L293 HydrophobicContact CB-CD2 4.03Å
225	M	91.1	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.1	-49.8	175.9	179.4	-166.2	74.3	0	0	110.5	Y118 I221 H222 H228 N229 V327 F329	Y118-M225 HydrophobicContact CD2-CE 4.23Å; Y118-M225 HydrophobicContact CE2-CE 3.91Å; I221-M225 WeakPolarHBondContact O-CB 3.18Å; I221-M225 PolarHBondContact O-N 3.27Å; H222-M225 PolarHBondContact O-N 3.23Å; M225-H228 PolarHBondContact O-N 3.37Å; M225-N229 WeakPolarHBondContact CG-ND2 3.4Å; M225-N229 WeakPolarHBondContact O-CB 3.36Å; M225-N229 VanDerWaalsContact O-CG 3.31Å; M225-N229 PolarHBondContact O-N 2.81Å; M225-N229 PolarHBondContact O-ND2 3.05Å; M225-N229 VanDerWaalsContact O-ND2 3.11Å; M225-V327 HydrophobicContact CG-CG2 4.16Å; M225-V327 VanDerWaalsContact CG-O 3.26Å; M225-V327 WeakPolarHBondContact CG-O 3.41Å; M225-F329 HydrophobicContact CB-CD1 4.07Å; M225-F329 HydrophobicContact CB-CE1 4.22Å; M225-F329 HydrophobicContact CE-CD1 4.4Å; M225-F329 HydrophobicContact CE-CE1 3.88Å; M225-F329 HydrophobicContact CG-CD1 4.25Å; M225-F329 HydrophobicContact SD-CD1 3.46Å; M225-F329 WeakPolarHBondContact SD-CD1 3.08Å; M225-F329 HydrophobicContact SD-CE1 3.56Å; M225-F329 VanDerWaalsContact SD-CE1 3.56Å
226	R	91.4	Very high	87.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-54.9	178.2	175.3	172.9	89.9	-121.5	-92.8	111.8	Y118 E216 H222 A223 R224 H228 N229 N230	Y118-R226 HydrophobicContact CD1-CB 4.29Å; Y118-R226 HydrophobicContact CD1-CG 3.47Å; Y118-R226 VanDerWaalsContact CD1-CG 3.47Å; Y118-R226 HydrophobicContact CD2-CB 4.32Å; Y118-R226 HydrophobicContact CD2-CG 4.35Å; Y118-R226 HydrophobicContact CE1-CB 4.07Å; Y118-R226 HydrophobicContact CE1-CG 3.37Å; Y118-R226 HydrophobicContact CE2-CB 4.1Å; Y118-R226 HydrophobicContact CE2-CG 4.28Å; Y118-R226 HydrophobicContact CG-CB 4.42Å; Y118-R226 HydrophobicContact CG-CG 3.99Å; E216-R226 VanDerWaalsContact CB-NH2 3.28Å; E216-R226 VanDerWaalsContact CG-NH2 3.32Å; E216-R226 IonicContact OE1-CZ 3.9Å; E216-R226 IonicContact OE1-NH1 3.79Å; E216-R226 PolarHBondContact OE1-NH1 3.43Å; E216-R226 IonicContact OE1-NH2 3.7Å; E216-R226 PolarHBondContact OE1-NH2 2.99Å; E216-R226 IonicContact OE2-CZ 2.73Å; E216-R226 IonicContact OE2-NH1 3Å; E216-R226 IonicContact OE2-NH2 3.82Å; E216-R226 PolarHBondContact OE2-NH2 3.19Å; H222-R226 PolarHBondContact O-N 3.49Å; A223-R226 PolarHBondContact O-N 3.02Å; R224-R226 VanDerWaalsContact C-N 3.35Å; R226-H228 PolarHBondContact O-N 3.46Å; R226-N229 PolarHBondContact O-N 3.31Å; R226-N230 VanDerWaalsContact O-CB 3.31Å; R226-N230 WeakPolarHBondContact O-CB 3.43Å; R226-N230 VanDerWaalsContact O-CG 3.32Å; R226-N230 PolarHBondContact O-N 3.45Å
227	L	91.9	Very high	89.2	Confident	18 Å²	18	41.4 Å²	41.4	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-40.1	-176.4	-69	173.7	0	0	0	111.4	D213 Y218 A223 R224 K231	D213-L227 HydrophobicContact CB-CD2 3.4Å; Y218-L227 HydrophobicContact CD1-CD1 4.05Å; Y218-L227 HydrophobicContact CD2-CD1 4.06Å; Y218-L227 HydrophobicContact CE1-CD1 3.66Å; Y218-L227 HydrophobicContact CE2-CD1 3.67Å; Y218-L227 HydrophobicContact CG-CD1 4.24Å; Y218-L227 VanDerWaalsContact CZ-CD1 3.46Å; A223-L227 WeakPolarHBondContact O-CB 3.23Å; A223-L227 WeakPolarHBondContact O-CG 2.99Å; A223-L227 PolarHBondContact O-N 3.13Å; R224-L227 PolarHBondContact O-N 3Å; L227-K231 WeakPolarHBondContact O-CB 3.49Å; L227-K231 PolarHBondContact O-N 3.26Å
228	H	93.4	Very high	90.7	Very high	31 Å²	31	39.4 Å²	39.4	14%	0.144	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-54.6	174.6	-178.9	89.2	0	0	0	111.5	R224 M225 R226 N230 K231 V232 E325 V327	R224-H228 WeakPolarHBondContact O-CB 3.4Å; R224-H228 PolarHBondContact O-N 3.47Å; M225-H228 PolarHBondContact O-N 3.37Å; R226-H228 PolarHBondContact O-N 3.46Å; H228-N230 PolarHBondContact O-N 3.1Å; H228-K231 WeakPolarHBondContact O-CB 3.26Å; H228-K231 PolarHBondContact O-N 2.93Å; H228-K231 VanDerWaalsContact O-N 3.13Å; H228-V232 WeakPolarHBondContact O-CG2 3.4Å; H228-V232 PolarHBondContact O-N 2.89Å; H228-E325 PolarHBondContact NE2-O 3.26Å; H228-V327 HydrophobicContact CB-CG2 4.17Å
229	N	96.3	Very high	92.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-37.5	-176.9	-67.7	-33.5	0	0	0	112.7	A115 A119 M225 R226 K231 V232 G233 L326 V327	A115-N229 VanDerWaalsContact CA-ND2 3.33Å; A115-N229 WeakPolarHBondContact CA-ND2 3.4Å; A115-N229 WeakPolarHBondContact CB-ND2 3.37Å; A119-N229 WeakPolarHBondContact CA-O 3.16Å; A119-N229 VanDerWaalsContact CB-O 3.28Å; A119-N229 WeakPolarHBondContact CB-O 3.3Å; M225-N229 WeakPolarHBondContact CG-ND2 3.4Å; M225-N229 WeakPolarHBondContact O-CB 3.36Å; M225-N229 VanDerWaalsContact O-CG 3.31Å; M225-N229 PolarHBondContact O-N 2.81Å; M225-N229 PolarHBondContact O-ND2 3.05Å; M225-N229 VanDerWaalsContact O-ND2 3.11Å; R226-N229 PolarHBondContact O-N 3.31Å; N229-K231 VanDerWaalsContact C-N 3.33Å; N229-K231 PolarHBondContact O-N 3.41Å; N229-V232 WeakPolarHBondContact O-CB 3.44Å; N229-V232 PolarHBondContact O-N 3.19Å; N229-G233 PolarHBondContact O-N 3.44Å; N229-L326 HydrophobicContact CB-CD2 4.08Å; N229-L326 WeakPolarHBondContact OD1-CA 3.26Å; N229-L326 WeakPolarHBondContact OD1-CD2 3.39Å; N229-V327 PolarHBondContact ND2-O 2.75Å; N229-V327 PolarHBondContact OD1-N 3.13Å
230	N	96	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.5	-48.2	171.2	-77.2	-3.8	0	0	0	110.3	Y118 A122 D213 R226 H228 V232 G233 R234	Y118-N230 WeakPolarHBondContact CB-OD1 3.48Å; Y118-N230 PolarHBondContact O-OD1 3.48Å; Y118-N230 VanDerWaalsContact O-OD1 3.12Å; A122-N230 HydrophobicContact CB-CB 3.98Å; A122-N230 WeakPolarHBondContact CB-O 3.49Å; D213-N230 PolarHBondContact OD1-ND2 3.02Å; R226-N230 VanDerWaalsContact O-CB 3.31Å; R226-N230 WeakPolarHBondContact O-CB 3.43Å; R226-N230 VanDerWaalsContact O-CG 3.32Å; R226-N230 PolarHBondContact O-N 3.45Å; H228-N230 PolarHBondContact O-N 3.1Å; N230-V232 PolarHBondContact O-N 3.12Å; N230-G233 PolarHBondContact O-N 3.37Å; N230-R234 WeakPolarHBondContact O-CG 3.32Å; N230-R234 PolarHBondContact O-N 3.47Å
231	K	95.7	Very high	94	Very high	90 Å²	90	24.5 Å²	24.5	39%	0.391	12%	0.118	S	C	.	.	H	α-helix	trans	-59.5	-45.7	176	-178.2	179.7	-179.6	177.4	0	111.8	L227 H228 N229 G233 R234 Q235	L227-K231 WeakPolarHBondContact O-CB 3.49Å; L227-K231 PolarHBondContact O-N 3.26Å; H228-K231 WeakPolarHBondContact O-CB 3.26Å; H228-K231 PolarHBondContact O-N 2.93Å; H228-K231 VanDerWaalsContact O-N 3.13Å; N229-K231 VanDerWaalsContact C-N 3.33Å; N229-K231 PolarHBondContact O-N 3.41Å; K231-G233 VanDerWaalsContact C-N 3.29Å; K231-G233 PolarHBondContact O-N 3.02Å; K231-R234 PolarHBondContact O-N 2.9Å; K231-Q235 HydrophobicContact CG-CG 4.34Å; K231-Q235 VanDerWaalsContact O-CG 3.28Å; K231-Q235 WeakPolarHBondContact O-CG 3.45Å; K231-Q235 PolarHBondContact O-N 3.05Å
232	V	97.1	Very high	94.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-55.7	-47	176.6	173.5	0	0	0	0	110.5	H228 N229 N230 Q235 V236 L273 R276 R324 L326	H228-V232 WeakPolarHBondContact O-CG2 3.4Å; H228-V232 PolarHBondContact O-N 2.89Å; N229-V232 WeakPolarHBondContact O-CB 3.44Å; N229-V232 PolarHBondContact O-N 3.19Å; N230-V232 PolarHBondContact O-N 3.12Å; V232-Q235 PolarHBondContact O-N 2.88Å; V232-V236 WeakPolarHBondContact O-CG2 3.45Å; V232-V236 PolarHBondContact O-N 3.31Å; V232-V236 VanDerWaalsContact O-N 3.08Å; V232-L273 HydrophobicContact CG1-CD2 4.42Å; V232-R276 VanDerWaalsContact CG1-NH1 3.26Å; V232-R324 WeakPolarHBondContact CG1-O 3.46Å; V232-L326 HydrophobicContact CB-CD2 4.18Å; V232-L326 HydrophobicContact CG1-CD2 3.84Å; V232-L326 HydrophobicContact CG1-CG 4.5Å
233	G	97.9	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-50.4	176.2	0	0	0	0	0	113.6	A119 A123 N229 N230 K231 Q235 V236	A119-G233 VanDerWaalsContact O-CA 3.26Å; A119-G233 WeakPolarHBondContact O-CA 3.34Å; A123-G233 WeakPolarHBondContact CB-O 3.46Å; N229-G233 PolarHBondContact O-N 3.44Å; N230-G233 PolarHBondContact O-N 3.37Å; K231-G233 VanDerWaalsContact C-N 3.29Å; K231-G233 PolarHBondContact O-N 3.02Å; G233-Q235 VanDerWaalsContact C-N 3.32Å; G233-Q235 PolarHBondContact O-N 3.45Å; G233-V236 PolarHBondContact O-N 3.44Å
234	R	98	Very high	94.7	Very high	8 Å²	8	37.6 Å²	37.6	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-56	-47.9	175.8	-64.4	-167.8	-69.5	-94.6	4.9	111.2	A122 V126 E205 S208 D213 N230 K231 V236 V237 L238	A122-R234 HydrophobicContact CB-CG 4.03Å; V126-R234 HydrophobicContact CG2-CB 4Å; V126-R234 HydrophobicContact CG2-CG 3.65Å; E205-R234 HydrophobicContact CG-CB 4.17Å; E205-R234 WeakPolarHBondContact O-CD 3.42Å; E205-R234 IonicContact OE1-CZ 2.74Å; E205-R234 IonicContact OE1-NE 3.36Å; E205-R234 PolarHBondContact OE1-NE 2.95Å; E205-R234 IonicContact OE1-NH2 3.76Å; S208-R234 WeakPolarHBondContact OG-CD 3.21Å; D213-R234 IonicContact OD1-NH1 3.43Å; D213-R234 IonicContact OD2-CZ 3.45Å; D213-R234 IonicContact OD2-NH1 3.17Å; D213-R234 PolarHBondContact OD2-NH1 3.08Å; D213-R234 IonicContact OD2-NH2 2.82Å; D213-R234 PolarHBondContact OD2-NH2 3.34Å; N230-R234 WeakPolarHBondContact O-CG 3.32Å; N230-R234 PolarHBondContact O-N 3.47Å; K231-R234 PolarHBondContact O-N 2.9Å; R234-V236 VanDerWaalsContact C-N 3.31Å; R234-V236 PolarHBondContact O-N 3.29Å; R234-V237 PolarHBondContact O-N 3.45Å; R234-V237 VanDerWaalsContact O-N 3.09Å; R234-L238 WeakPolarHBondContact O-CD1 3.43Å; R234-L238 PolarHBondContact O-N 3.45Å
235	Q	96.9	Very high	94.7	Very high	60 Å²	60	38 Å²	38	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-63.1	-32.6	-178.8	-67.8	-60.2	-53.2	0	0	113.3	K231 V232 G233 V237 L238 D239	K231-Q235 HydrophobicContact CG-CG 4.34Å; K231-Q235 VanDerWaalsContact O-CG 3.28Å; K231-Q235 WeakPolarHBondContact O-CG 3.45Å; K231-Q235 PolarHBondContact O-N 3.05Å; V232-Q235 PolarHBondContact O-N 2.88Å; G233-Q235 VanDerWaalsContact C-N 3.32Å; G233-Q235 PolarHBondContact O-N 3.45Å; Q235-V237 PolarHBondContact O-N 3.45Å; Q235-L238 PolarHBondContact O-N 2.82Å; Q235-D239 VanDerWaalsContact O-CB 3.26Å; Q235-D239 WeakPolarHBondContact O-CB 3.2Å; Q235-D239 VanDerWaalsContact O-CG 3.23Å; Q235-D239 PolarHBondContact O-N 3.17Å
236	V	97.6	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.4	-38.4	174.1	172.9	0	0	0	0	111.5	V232 G233 R234 N240 V269 I272 L273 R276	V232-V236 WeakPolarHBondContact O-CG2 3.45Å; V232-V236 PolarHBondContact O-N 3.31Å; V232-V236 VanDerWaalsContact O-N 3.08Å; G233-V236 PolarHBondContact O-N 3.44Å; R234-V236 VanDerWaalsContact C-N 3.31Å; R234-V236 PolarHBondContact O-N 3.29Å; V236-N240 WeakPolarHBondContact O-CB 3.43Å; V236-N240 PolarHBondContact O-N 3.33Å; V236-N240 PolarHBondContact O-ND2 3.43Å; V236-V269 HydrophobicContact CG1-CB 4.32Å; V236-V269 HydrophobicContact CG1-CG1 3.89Å; V236-V269 HydrophobicContact CG1-CG2 4.39Å; V236-I272 HydrophobicContact CG1-CB 4.1Å; V236-I272 HydrophobicContact CG1-CD1 4.19Å; V236-I272 HydrophobicContact CG1-CG2 3.91Å; V236-I272 HydrophobicContact CG2-CG2 4.02Å; V236-L273 HydrophobicContact CG2-CD2 3.75Å; V236-L273 HydrophobicContact CG2-CG 4.15Å; V236-R276 VanDerWaalsContact CG2-CZ 3.43Å
237	V	97.9	Very high	94.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-46.8	178.1	-176.4	0	0	0	0	110.9	A123 V126 R234 Q235 N240 M241 P264 V269	A123-V237 HydrophobicContact CB-CG2 3.77Å; V126-V237 HydrophobicContact CB-CB 4.46Å; V126-V237 HydrophobicContact CB-CG2 4.42Å; V126-V237 HydrophobicContact CG1-CB 4.07Å; V126-V237 HydrophobicContact CG1-CG1 3.88Å; R234-V237 PolarHBondContact O-N 3.45Å; R234-V237 VanDerWaalsContact O-N 3.09Å; Q235-V237 PolarHBondContact O-N 3.45Å; V237-N240 PolarHBondContact O-N 2.76Å; V237-M241 PolarHBondContact O-N 2.89Å; V237-P264 HydrophobicContact CG1-CG 4.35Å; V237-V269 HydrophobicContact CG2-CG1 4.4Å; V237-V269 HydrophobicContact CG2-CG2 4.38Å
238	L	95.8	Very high	94.1	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-43.7	-179.1	-79.2	79.3	0	0	0	111.9	V126 V201 E205 R234 Q235 N240 M241	V126-L238 HydrophobicContact CG1-CD1 4.11Å; V201-L238 HydrophobicContact CB-CG 4.48Å; V201-L238 HydrophobicContact CG2-CG 4.27Å; E205-L238 HydrophobicContact CB-CD1 4.19Å; E205-L238 HydrophobicContact CG-CD1 4.22Å; E205-L238 HydrophobicContact CG-CD2 4.47Å; R234-L238 WeakPolarHBondContact O-CD1 3.43Å; R234-L238 PolarHBondContact O-N 3.45Å; Q235-L238 PolarHBondContact O-N 2.82Å; L238-N240 PolarHBondContact O-N 3.31Å; L238-M241 WeakPolarHBondContact O-CG 3.2Å
239	D	95.6	Very high	93.5	Very high	76 Å²	76	48.8 Å²	48.8	41%	0.406	24%	0.235	S	C	.	.	H	α-helix	trans	-71	-17.2	-176.8	-71.1	-17.6	0	0	0	113.1	Q235	Q235-D239 VanDerWaalsContact O-CB 3.26Å; Q235-D239 WeakPolarHBondContact O-CB 3.2Å; Q235-D239 VanDerWaalsContact O-CG 3.23Å; Q235-D239 PolarHBondContact O-N 3.17Å
240	N	96.5	Very high	92.8	Very high	51 Å²	51	54.7 Å²	54.7	27%	0.273	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	22.3	-173.7	-66	-90	0	0	0	113.3	V236 V237 L238 P264 I272	V236-N240 WeakPolarHBondContact O-CB 3.43Å; V236-N240 PolarHBondContact O-N 3.33Å; V236-N240 PolarHBondContact O-ND2 3.43Å; V237-N240 PolarHBondContact O-N 2.76Å; L238-N240 PolarHBondContact O-N 3.31Å; N240-P264 HydrophobicContact CB-CB 4.15Å; N240-P264 HydrophobicContact CB-CG 4.19Å; N240-P264 WeakPolarHBondContact O-CB 3.46Å; N240-I272 WeakPolarHBondContact OD1-CD1 3.41Å
241	M	94.6	Very high	92.2	Very high	41 Å²	41	61.3 Å²	61.3	20%	0.202	32%	0.318	C	S	.	.			trans	-59.4	136.6	168.2	-66.2	-64.3	-72	0	0	110.1	V201 V237 L238 Q261 V262 T263	V201-M241 HydrophobicContact CG1-CE 3.7Å; V201-M241 HydrophobicContact CG1-CG 4.49Å; V201-M241 HydrophobicContact CG1-SD 3.49Å; V201-M241 WeakPolarHBondContact CG1-SD 3.45Å; V201-M241 HydrophobicContact CG2-CG 4.5Å; V201-M241 HydrophobicContact CG2-SD 4.48Å; V237-M241 PolarHBondContact O-N 2.89Å; L238-M241 WeakPolarHBondContact O-CG 3.2Å; M241-Q261 HydrophobicContact CE-CB 3.98Å; M241-V262 WeakPolarHBondContact CE-O 3.4Å; M241-T263 HydrophobicContact CE-CG2 4.25Å; M241-T263 VanDerWaalsContact SD-CA 3.55Å; M241-T263 HydrophobicContact SD-CG2 4.05Å
242	R	92.9	Very high	91.3	Very high	108 Å²	108	60 Å²	60	41%	0.408	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.9	-178.5	69.5	-176.5	-177.2	127.2	-13.1	111.1	K244 Q261 V262 E265	R242-K244 PolarHBondContact O-N 3.16Å; R242-Q261 CarbonylContact O-C 3.52Å; R242-Q261 PolarHBondContact O-OE1 3.22Å; R242-V262 HydrophobicContact CG-CG2 3.29Å; R242-V262 PolarHBondContact N-O 2.79Å; R242-V262 WeakPolarHBondContact O-CG2 3.41Å; R242-V262 PolarHBondContact O-N 3.27Å; R242-E265 IonicContact CZ-OE1 2.8Å; R242-E265 IonicContact NH2-OE1 2.63Å; R242-E265 PolarHBondContact NH2-OE1 3.16Å
243	R	90.9	Very high	90.6	Very high	112 Å²	112	61.3 Å²	61.3	42%	0.423	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.1	170.8	-175	168.2	57.9	112.9	-9	109.4	W192 C259 W260	W192-R243 VanDerWaalsContact CE2-CZ 3.42Å; R243-C259 HydrophobicContact CG-CB 3.61Å; R243-C259 PolarHBondContact NH1-SG 3.12Å; R243-W260 WeakPolarHBondContact CA-O 3.28Å
244	K	92.1	Very high	90	Very high	102 Å²	102	64.6 Å²	64.6	44%	0.443	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.3	170.8	-170.8	174.2	-177.7	178.3	0	108.6	R242 C259 W260 V262	R242-K244 PolarHBondContact O-N 3.16Å; K244-C259 CarbonylContact O-C 3.46Å; K244-C259 WeakPolarHBondContact O-CA 3.32Å; K244-C259 WeakPolarHBondContact O-CB 3.42Å; K244-W260 HydrophobicContact CD-CZ2 4.41Å; K244-W260 HydrophobicContact CG-CZ2 4.47Å; K244-W260 PolarHBondContact N-O 3.21Å; K244-W260 PolarHBondContact O-N 3.03Å; K244-V262 HydrophobicContact CB-CG1 4Å; K244-V262 HydrophobicContact CB-CG2 4.06Å; K244-V262 HydrophobicContact CD-CG1 4.36Å
245	C	90.2	Very high	89	Confident	51 Å²	51	71.5 Å²	71.5	35%	0.345	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.2	-179.6	-53.7	0	0	0	0	111.2	T258 C259	C245-T258 CarbonylContact C-O 3.6Å; C245-T258 WeakPolarHBondContact CA-O 3.3Å; C245-C259 HydrophobicContact CB-CB 4Å; C245-C259 WeakPolarHBondContact CB-SG 3.49Å; C245-C259 WeakPolarHBondContact SG-CB 3.48Å; C245-C259 CovalentContact SG-SG 2.03Å; C245-C259 PolarHBondContact SG-SG 3.45Å
246	K	88.9	Confident	88.2	Confident	120 Å²	120	70.3 Å²	70.3	52%	0.522	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.4	169.2	-178.6	174.7	-178.6	179.8	0	109.6	H248 K257 T258 W260	K246-H248 PolarHBondContact O-CD2 3.23Å; K246-K257 CarbonylContact O-C 3.58Å; K246-K257 WeakPolarHBondContact O-CA 3.43Å; K246-T258 PolarHBondContact N-O 3.26Å; K246-T258 PolarHBondContact O-N 3.43Å; K246-W260 HydrophobicContact CB-CH2 3.69Å; K246-W260 HydrophobicContact CB-CZ3 3.82Å
247	C	89	Confident	87.7	Confident	45 Å²	45	72 Å²	72	30%	0.304	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	140.9	176.9	-60.2	0	0	0	0	110.7	C254	C247-C254 HydrophobicContact CB-CB 3.84Å; C247-C254 WeakPolarHBondContact CB-SG 3.48Å; C247-C254 WeakPolarHBondContact SG-CB 3.5Å; C247-C254 CovalentContact SG-SG 2.03Å; C247-C254 PolarHBondContact SG-SG 2.95Å
248	H	82.7	Confident	87	Confident	89 Å²	89	72.3 Å²	72.3	41%	0.412	40%	0.398	S	S	.	.			trans	-122.2	7.1	-172.4	-67.4	-78.8	0	0	0	113.6	K246 L256 T258	K246-H248 PolarHBondContact O-CD2 3.23Å; H248-L256 HydrophobicContact CB-CD2 4.22Å; H248-L256 HydrophobicContact CB-CG 4.38Å; H248-L256 PolarHBondContact N-O 3.35Å; H248-T258 PolarHBondContact NE2-OG1 3.43Å
249	G	80.6	Confident	86.7	Confident	23 Å²	23	70.1 Å²	70.1	24%	0.237	39%	0.386	C	S	.	.	S	Bend	trans	-78	163.5	179.9	0	0	0	0	0	113.8	G252 S253	G249-G252 PolarHBondContact O-N 3.34Å; G249-S253 WeakPolarHBondContact CA-O 3.39Å; G249-S253 VanDerWaalsContact CA-OG 3.25Å; G249-S253 WeakPolarHBondContact CA-OG 3.49Å; G249-S253 PolarHBondContact N-O 2.85Å
250	T	82.2	Confident	86.5	Confident	123 Å²	123	69.1 Å²	69.1	76%	0.755	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-56.7	138	176.9	46.8	0	0	0	0	110.7	G252 S253	T250-G252 PolarHBondContact O-N 2.97Å; T250-G252 VanDerWaalsContact O-N 3.15Å; T250-S253 PolarHBondContact N-OG 3.33Å; T250-S253 WeakPolarHBondContact O-CB 3.44Å; T250-S253 PolarHBondContact O-N 3.44Å; T250-S253 VanDerWaalsContact O-N 3.13Å; T250-S253 PolarHBondContact O-OG 3.09Å
251	S	82.4	Confident	86.3	Confident	140 Å²	140	68.3 Å²	68.3	98%	0.979	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	55	29.1	-178.6	-54.1	0	0	0	0	115
252	G	77.3	Confident	86.3	Confident	61 Å²	61	67.4 Å²	67.4	63%	0.629	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	84.7	13.5	178.2	0	0	0	0	0	114.5	G249 T250	G249-G252 PolarHBondContact O-N 3.34Å; T250-G252 PolarHBondContact O-N 2.97Å; T250-G252 VanDerWaalsContact O-N 3.15Å
253	S	82.4	Confident	86.5	Confident	31 Å²	31	62.8 Å²	62.8	22%	0.217	35%	0.352	C	S	.	.			trans	-71.5	147.9	-179.7	66.5	0	0	0	0	112.2	G249 T250 Q255	G249-S253 WeakPolarHBondContact CA-O 3.39Å; G249-S253 VanDerWaalsContact CA-OG 3.25Å; G249-S253 WeakPolarHBondContact CA-OG 3.49Å; G249-S253 PolarHBondContact N-O 2.85Å; T250-S253 PolarHBondContact N-OG 3.33Å; T250-S253 WeakPolarHBondContact O-CB 3.44Å; T250-S253 PolarHBondContact O-N 3.44Å; T250-S253 VanDerWaalsContact O-N 3.13Å; T250-S253 PolarHBondContact O-OG 3.09Å; S253-Q255 PolarHBondContact OG-OE1 3.4Å
254	C	85	Confident	86.8	Confident	69 Å²	69	57.6 Å²	57.6	47%	0.466	33%	0.333	S	S	.	.			trans	-105.7	18.2	-170.3	-69.1	0	0	0	0	114.5	C247 L256	C247-C254 HydrophobicContact CB-CB 3.84Å; C247-C254 WeakPolarHBondContact CB-SG 3.48Å; C247-C254 WeakPolarHBondContact SG-CB 3.5Å; C247-C254 CovalentContact SG-SG 2.03Å; C247-C254 PolarHBondContact SG-SG 2.95Å; C254-L256 PolarHBondContact O-N 3.01Å
255	Q	78.5	Confident	87	Confident	154 Å²	154	58.2 Å²	58.2	72%	0.72	34%	0.337	S	S	*	.	S	Bend	trans	-59.3	-28	175.6	-68.4	81.7	-6.3	0	0	111.9	S253	S253-Q255 PolarHBondContact OG-OE1 3.4Å
256	L	80.1	Confident	87.4	Confident	35 Å²	35	56.5 Å²	56.5	18%	0.183	32%	0.324	C	S	.	.	S	Bend	trans	-121	120.1	167.4	-176	66	0	0	0	108.5	F154 L158 L161 H248 C254	F154-L256 HydrophobicContact CE2-CD1 4.14Å; L158-L256 HydrophobicContact CD1-CD2 3.61Å; L161-L256 HydrophobicContact CD1-CD1 4.09Å; L161-L256 HydrophobicContact CD1-CD2 4.45Å; H248-L256 HydrophobicContact CB-CD2 4.22Å; H248-L256 HydrophobicContact CB-CG 4.38Å; H248-L256 PolarHBondContact N-O 3.35Å; C254-L256 PolarHBondContact O-N 3.01Å
257	K	85.4	Confident	87.8	Confident	35 Å²	35	56.2 Å²	56.2	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.4	175.5	70.3	-167	177.8	-166.8	0	111.5	D190 W192 E193 K246	D190-K257 IonicContact OD1-NZ 3.01Å; D190-K257 PolarHBondContact OD1-NZ 3.48Å; W192-K257 HydrophobicContact CB-CD 4.22Å; W192-K257 HydrophobicContact CB-CG 3.6Å; E193-K257 PolarHBondContact N-O 3.41Å; K246-K257 CarbonylContact O-C 3.58Å; K246-K257 WeakPolarHBondContact O-CA 3.43Å
258	T	84.7	Confident	88.3	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.2	175.7	-51.6	0	0	0	0	108.6	F154 E193 G195 C245 K246 H248	F154-T258 HydrophobicContact CD1-CG2 4.2Å; F154-T258 HydrophobicContact CE1-CG2 4.07Å; F154-T258 WeakPolarHBondContact CE1-OG1 3.37Å; F154-T258 WeakPolarHBondContact CE2-OG1 3.26Å; F154-T258 HydrophobicContact CZ-CG2 4.34Å; F154-T258 WeakPolarHBondContact CZ-OG1 3.36Å; E193-T258 CarbonylContact O-C 3.57Å; E193-T258 WeakPolarHBondContact O-CA 3.38Å; G195-T258 VanDerWaalsContact CA-CG2 3.47Å; C245-T258 CarbonylContact C-O 3.6Å; C245-T258 WeakPolarHBondContact CA-O 3.3Å; K246-T258 PolarHBondContact N-O 3.26Å; K246-T258 PolarHBondContact O-N 3.43Å; H248-T258 PolarHBondContact NE2-OG1 3.43Å
259	C	89.4	Confident	89	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.8	179.1	-47.4	0	0	0	0	112.7	W192 E193 W194 G195 R243 K244 C245	W192-C259 HydrophobicContact CD2-CB 4.25Å; W192-C259 HydrophobicContact CE3-CB 3.45Å; W192-C259 VanDerWaalsContact CE3-CB 3.45Å; W192-C259 HydrophobicContact CZ3-CB 3.73Å; E193-C259 PolarHBondContact O-N 3.44Å; W194-C259 WeakPolarHBondContact CA-O 3.36Å; G195-C259 PolarHBondContact N-O 3.2Å; G195-C259 VanDerWaalsContact O-O 3.14Å; R243-C259 HydrophobicContact CG-CB 3.61Å; R243-C259 PolarHBondContact NH1-SG 3.12Å; K244-C259 CarbonylContact O-C 3.46Å; K244-C259 WeakPolarHBondContact O-CA 3.32Å; K244-C259 WeakPolarHBondContact O-CB 3.42Å; C245-C259 HydrophobicContact CB-CB 4Å; C245-C259 WeakPolarHBondContact CB-SG 3.49Å; C245-C259 WeakPolarHBondContact SG-CB 3.48Å; C245-C259 CovalentContact SG-SG 2.03Å; C245-C259 PolarHBondContact SG-SG 3.45Å
260	W	90.6	Very high	89.9	Confident	56 Å²	56	52.8 Å²	52.8	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.5	171.3	52	106.1	0	0	0	109.9	G195 R243 K244 K246 V262	G195-W260 WeakPolarHBondContact O-CB 3.3Å; R243-W260 WeakPolarHBondContact CA-O 3.28Å; K244-W260 HydrophobicContact CD-CZ2 4.41Å; K244-W260 HydrophobicContact CG-CZ2 4.47Å; K244-W260 PolarHBondContact N-O 3.21Å; K244-W260 PolarHBondContact O-N 3.03Å; K246-W260 HydrophobicContact CB-CH2 3.69Å; K246-W260 HydrophobicContact CB-CZ3 3.82Å; W260-V262 HydrophobicContact CG-CG1 4.49Å; W260-V262 VanDerWaalsContact NE1-CG1 3.3Å
261	Q	92.3	Very high	90.6	Very high	34 Å²	34	49.6 Å²	49.6	16%	0.159	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.3	167.4	-72.7	-67.8	-14.6	0	0	109.6	W194 S198 P199 M241 R242	W194-Q261 HydrophobicContact CH2-CG 4.06Å; W194-Q261 HydrophobicContact CZ3-CG 3.99Å; S198-Q261 PolarHBondContact OG-N 2.83Å; P199-Q261 WeakPolarHBondContact CD-O 3.46Å; M241-Q261 HydrophobicContact CE-CB 3.98Å; R242-Q261 CarbonylContact O-C 3.52Å; R242-Q261 PolarHBondContact O-OE1 3.22Å
262	V	95.2	Very high	91.4	Very high	22 Å²	22	44.1 Å²	44.1	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.7	168.6	-59.1	0	0	0	0	109.1	M241 R242 K244 W260	M241-V262 WeakPolarHBondContact CE-O 3.4Å; R242-V262 HydrophobicContact CG-CG2 3.29Å; R242-V262 PolarHBondContact N-O 2.79Å; R242-V262 WeakPolarHBondContact O-CG2 3.41Å; R242-V262 PolarHBondContact O-N 3.27Å; K244-V262 HydrophobicContact CB-CG1 4Å; K244-V262 HydrophobicContact CB-CG2 4.06Å; K244-V262 HydrophobicContact CD-CG1 4.36Å; W260-V262 HydrophobicContact CG-CG1 4.49Å; W260-V262 VanDerWaalsContact NE1-CG1 3.3Å
263	T	96.1	Very high	92.4	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.067	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60.6	151.3	173.9	61.5	0	0	0	0	110.9	H127 A130 N131 P199 V201 M241	H127-T263 PolarHBondContact CD2-OG1 2.8Å; H127-T263 PolarHBondContact NE2-OG1 3.2Å; A130-T263 HydrophobicContact CB-CG2 4.34Å; N131-T263 PolarHBondContact ND2-OG1 3.15Å; N131-T263 PolarHBondContact OD1-OG1 3.39Å; P199-T263 HydrophobicContact CB-CG2 4.03Å; P199-T263 HydrophobicContact CG-CG2 4.15Å; V201-T263 HydrophobicContact CG1-CG2 4.11Å; M241-T263 HydrophobicContact CE-CG2 4.25Å; M241-T263 VanDerWaalsContact SD-CA 3.55Å; M241-T263 HydrophobicContact SD-CG2 4.05Å
264	P	97.3	Very high	93.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.013	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-59	151.1	170.6	24.4	-33.5	0	0	0	110.5	H127 V237 N240 F266 L268 V269	H127-P264 PolarHBondContact CD2-O 3.44Å; H127-P264 PolarHBondContact NE2-O 3.3Å; V237-P264 HydrophobicContact CG1-CG 4.35Å; N240-P264 HydrophobicContact CB-CB 4.15Å; N240-P264 HydrophobicContact CB-CG 4.19Å; N240-P264 WeakPolarHBondContact O-CB 3.46Å; P264-F266 PolarHBondContact O-N 3.05Å; P264-L268 HydrophobicContact CB-CD2 4.26Å; P264-V269 HydrophobicContact CB-CG2 4.03Å; P264-V269 HydrophobicContact CG-CG2 3.57Å
265	E	96.9	Very high	93.7	Very high	115 Å²	115	43.5 Å²	43.5	54%	0.537	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-57	132.2	165.4	-62.5	-60.2	148.4	0	0	108.7	R242 R267 L268 V269	R242-E265 IonicContact CZ-OE1 2.8Å; R242-E265 IonicContact NH2-OE1 2.63Å; R242-E265 PolarHBondContact NH2-OE1 3.16Å; E265-R267 PolarHBondContact O-N 3.15Å; E265-R267 VanDerWaalsContact O-N 3.09Å; E265-L268 VanDerWaalsContact O-CB 3.32Å; E265-L268 WeakPolarHBondContact O-CB 3.28Å; E265-L268 PolarHBondContact O-N 2.96Å; E265-V269 PolarHBondContact O-N 3Å
266	F	98	Very high	94.5	Very high	16 Å²	16	37.8 Å²	37.8	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-24.3	-172.7	-158.9	-99.6	0	0	0	113.2	I75 A76 E79 I120 A123 G124 H127 P264 L268 V269 G270	I75-F266 HydrophobicContact CG2-CB 4.28Å; I75-F266 HydrophobicContact CG2-CD1 3.56Å; I75-F266 HydrophobicContact CG2-CD2 4.38Å; I75-F266 HydrophobicContact CG2-CE1 3.96Å; I75-F266 HydrophobicContact CG2-CG 3.79Å; A76-F266 HydrophobicContact CB-CE1 4.3Å; A76-F266 HydrophobicContact CB-CZ 4.06Å; E79-F266 HydrophobicContact CB-CD1 3.7Å; E79-F266 HydrophobicContact CB-CE1 3.61Å; E79-F266 HydrophobicContact CG-CD1 3.87Å; E79-F266 HydrophobicContact CG-CE1 3.94Å; I120-F266 HydrophobicContact CD1-CE1 3.77Å; I120-F266 HydrophobicContact CD1-CZ 3.73Å; I120-F266 HydrophobicContact CG1-CE1 4.14Å; I120-F266 HydrophobicContact CG1-CZ 4.13Å; A123-F266 HydrophobicContact CB-CE2 4.41Å; G124-F266 VanDerWaalsContact CA-CE2 3.48Å; H127-F266 HydrophobicContact CB-CD2 3.88Å; H127-F266 HydrophobicContact CB-CE2 4.01Å; H127-F266 AromaticContact CD2-CD2 3.97Å; H127-F266 AromaticContact CG-CD2 3.64Å; H127-F266 AromaticContact ND1-CD2 3.88Å; P264-F266 PolarHBondContact O-N 3.05Å; F266-L268 VanDerWaalsContact C-N 3.32Å; F266-L268 PolarHBondContact O-N 2.85Å; F266-V269 HydrophobicContact CD2-CB 4.36Å; F266-V269 HydrophobicContact CD2-CG2 4.48Å; F266-V269 HydrophobicContact CE2-CB 4.48Å; F266-V269 HydrophobicContact CE2-CG1 4.2Å; F266-V269 WeakPolarHBondContact O-CB 3.41Å; F266-V269 PolarHBondContact O-N 2.02Å; F266-G270 PolarHBondContact O-N 3.36Å
267	R	98.1	Very high	95.3	Very high	114 Å²	114	36.1 Å²	36.1	43%	0.43	17%	0.171	S	C	.	.	H	α-helix	trans	-59.1	-39.7	170.1	-177	56.3	52.8	75.7	2.2	112.8	E79 H82 E265 G270 S271	E79-R267 VanDerWaalsContact OE1-CD 3.26Å; E79-R267 WeakPolarHBondContact OE1-CD 3.22Å; E79-R267 IonicContact OE1-NE 3.41Å; E79-R267 PolarHBondContact OE1-NE 2.54Å; E79-R267 IonicContact OE2-CZ 3.87Å; E79-R267 IonicContact OE2-NE 3.42Å; E79-R267 PolarHBondContact OE2-NE 3.39Å; E79-R267 IonicContact OE2-NH2 3.79Å; E79-R267 PolarHBondContact OE2-NH2 3.43Å; H82-R267 PolarHBondContact CE1-NE 2.9Å; H82-R267 VanDerWaalsContact CE1-NE 3.33Å; H82-R267 PolarHBondContact CE1-NH1 3.02Å; H82-R267 PolarHBondContact ND1-NE 2.88Å; H82-R267 PolarHBondContact NE2-NH1 3.15Å; E265-R267 PolarHBondContact O-N 3.15Å; E265-R267 VanDerWaalsContact O-N 3.09Å; R267-G270 PolarHBondContact O-N 2.96Å; R267-S271 PolarHBondContact O-N 3.49Å; R267-S271 PolarHBondContact O-OG 3Å; R267-S271 VanDerWaalsContact O-OG 3.12Å
268	L	98.2	Very high	95.8	Very high	84 Å²	84	39.4 Å²	39.4	44%	0.44	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-43.3	176.8	175.8	62.1	0	0	0	110.6	P264 E265 F266 G270 S271 I272	P264-L268 HydrophobicContact CB-CD2 4.26Å; E265-L268 VanDerWaalsContact O-CB 3.32Å; E265-L268 WeakPolarHBondContact O-CB 3.28Å; E265-L268 PolarHBondContact O-N 2.96Å; F266-L268 VanDerWaalsContact C-N 3.32Å; F266-L268 PolarHBondContact O-N 2.85Å; L268-G270 VanDerWaalsContact C-N 3.32Å; L268-G270 PolarHBondContact O-N 2.93Å; L268-S271 PolarHBondContact O-N 3.43Å; L268-I272 HydrophobicContact CD1-CD1 4.01Å; L268-I272 HydrophobicContact CD1-CG1 4.23Å; L268-I272 HydrophobicContact CG-CD1 3.91Å; L268-I272 WeakPolarHBondContact O-CG1 3.44Å; L268-I272 PolarHBondContact O-N 2.85Å
269	V	98.5	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-46.7	175.2	176.4	0	0	0	0	110.7	I120 A123 V236 V237 P264 E265 F266 S271 I272 L273	I120-V269 HydrophobicContact CD1-CG1 4.28Å; A123-V269 HydrophobicContact CB-CG1 3.74Å; V236-V269 HydrophobicContact CG1-CB 4.32Å; V236-V269 HydrophobicContact CG1-CG1 3.89Å; V236-V269 HydrophobicContact CG1-CG2 4.39Å; V237-V269 HydrophobicContact CG2-CG1 4.4Å; V237-V269 HydrophobicContact CG2-CG2 4.38Å; P264-V269 HydrophobicContact CB-CG2 4.03Å; P264-V269 HydrophobicContact CG-CG2 3.57Å; E265-V269 PolarHBondContact O-N 3Å; F266-V269 HydrophobicContact CD2-CB 4.36Å; F266-V269 HydrophobicContact CD2-CG2 4.48Å; F266-V269 HydrophobicContact CE2-CB 4.48Å; F266-V269 HydrophobicContact CE2-CG1 4.2Å; F266-V269 WeakPolarHBondContact O-CB 3.41Å; F266-V269 PolarHBondContact O-N 2.02Å; V269-S271 PolarHBondContact O-N 3.16Å; V269-I272 PolarHBondContact O-N 2.9Å; V269-L273 HydrophobicContact CG1-CD1 4.09Å; V269-L273 WeakPolarHBondContact O-CB 3.48Å; V269-L273 WeakPolarHBondContact O-CG 3.39Å; V269-L273 PolarHBondContact O-N 3.16Å
270	G	98.3	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.3	-47.5	174.7	0	0	0	0	0	112.8	F266 R267 L268 L273 K274	F266-G270 PolarHBondContact O-N 3.36Å; R267-G270 PolarHBondContact O-N 2.96Å; L268-G270 VanDerWaalsContact C-N 3.32Å; L268-G270 PolarHBondContact O-N 2.93Å; G270-L273 PolarHBondContact O-N 3.46Å; G270-K274 VanDerWaalsContact O-CB 3.3Å; G270-K274 WeakPolarHBondContact O-CB 3.46Å; G270-K274 PolarHBondContact O-N 3.23Å
271	S	98.5	Very high	96.5	Very high	56 Å²	56	42.9 Å²	42.9	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-43.3	179.5	-62.1	0	0	0	0	112.9	Q83 R267 L268 V269 K274 E275	Q83-S271 PolarHBondContact NE2-OG 3.27Å; R267-S271 PolarHBondContact O-N 3.49Å; R267-S271 PolarHBondContact O-OG 3Å; R267-S271 VanDerWaalsContact O-OG 3.12Å; L268-S271 PolarHBondContact O-N 3.43Å; V269-S271 PolarHBondContact O-N 3.16Å; S271-K274 WeakPolarHBondContact O-CB 3.49Å; S271-K274 PolarHBondContact O-N 3.41Å; S271-E275 PolarHBondContact O-N 3.46Å
272	I	98.2	Very high	96.4	Very high	26 Å²	26	43.5 Å²	43.5	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-44.6	177.2	-67.3	167.1	0	0	0	110.6	V236 N240 L268 V269 K274 E275 R276	V236-I272 HydrophobicContact CG1-CB 4.1Å; V236-I272 HydrophobicContact CG1-CD1 4.19Å; V236-I272 HydrophobicContact CG1-CG2 3.91Å; V236-I272 HydrophobicContact CG2-CG2 4.02Å; N240-I272 WeakPolarHBondContact OD1-CD1 3.41Å; L268-I272 HydrophobicContact CD1-CD1 4.01Å; L268-I272 HydrophobicContact CD1-CG1 4.23Å; L268-I272 HydrophobicContact CG-CD1 3.91Å; L268-I272 WeakPolarHBondContact O-CG1 3.44Å; L268-I272 PolarHBondContact O-N 2.85Å; V269-I272 PolarHBondContact O-N 2.9Å; I272-K274 VanDerWaalsContact C-N 3.26Å; I272-K274 PolarHBondContact O-N 2.91Å; I272-E275 PolarHBondContact O-N 3.37Å; I272-R276 WeakPolarHBondContact O-CG 3.27Å; I272-R276 PolarHBondContact O-N 3.43Å; I272-R276 VanDerWaalsContact O-N 3.07Å
273	L	98.4	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-31	176.9	-73.5	174.4	0	0	0	111.8	F116 A119 I120 A123 V232 V236 V269 G270 R276 F277	F116-L273 HydrophobicContact CD2-CB 4.01Å; F116-L273 HydrophobicContact CE2-CB 3.58Å; F116-L273 HydrophobicContact CZ-CB 4.45Å; A119-L273 HydrophobicContact CB-CD1 4.18Å; A119-L273 HydrophobicContact CB-CD2 3.78Å; I120-L273 HydrophobicContact CB-CD1 4.08Å; I120-L273 HydrophobicContact CD1-CD1 3.67Å; I120-L273 HydrophobicContact CG1-CD1 4.49Å; A123-L273 HydrophobicContact CB-CD1 4.31Å; V232-L273 HydrophobicContact CG1-CD2 4.42Å; V236-L273 HydrophobicContact CG2-CD2 3.75Å; V236-L273 HydrophobicContact CG2-CG 4.15Å; V269-L273 HydrophobicContact CG1-CD1 4.09Å; V269-L273 WeakPolarHBondContact O-CB 3.48Å; V269-L273 WeakPolarHBondContact O-CG 3.39Å; V269-L273 PolarHBondContact O-N 3.16Å; G270-L273 PolarHBondContact O-N 3.46Å; L273-R276 PolarHBondContact O-N 3.09Å; L273-F277 WeakPolarHBondContact O-CB 3.31Å; L273-F277 PolarHBondContact O-N 2.85Å
274	K	97.6	Very high	95.4	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-40.3	177	-177.2	58.1	173.3	172	0	111.2	Q83 F84 H87 F116 G270 S271 I272 F277 H278	Q83-K274 HydrophobicContact CB-CD 4.46Å; F84-K274 HydrophobicContact CE2-CD 3.96Å; F84-K274 HydrophobicContact CZ-CD 4.04Å; H87-K274 PolarHBondContact CE1-NZ 3.42Å; H87-K274 PolarHBondContact NE2-NZ 3.35Å; F116-K274 HydrophobicContact CE2-CB 4.3Å; G270-K274 VanDerWaalsContact O-CB 3.3Å; G270-K274 WeakPolarHBondContact O-CB 3.46Å; G270-K274 PolarHBondContact O-N 3.23Å; S271-K274 WeakPolarHBondContact O-CB 3.49Å; S271-K274 PolarHBondContact O-N 3.41Å; I272-K274 VanDerWaalsContact C-N 3.26Å; I272-K274 PolarHBondContact O-N 2.91Å; K274-F277 HydrophobicContact CD-CD1 4.13Å; K274-F277 WeakPolarHBondContact O-CB 3.43Å; K274-F277 PolarHBondContact O-N 3.17Å; K274-H278 WeakPolarHBondContact CE-NE2 3.45Å; K274-H278 PolarHBondContact O-CD2 2.87Å; K274-H278 PolarHBondContact O-N 2.73Å
275	E	96.4	Very high	93.9	Very high	132 Å²	132	51.3 Å²	51.3	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-59.6	-48.4	170.6	-173.4	-178.8	-178.5	0	0	111.1	S271 I272 F277 H278 I279	S271-E275 PolarHBondContact O-N 3.46Å; I272-E275 PolarHBondContact O-N 3.37Å; E275-F277 PolarHBondContact O-N 3Å; E275-H278 WeakPolarHBondContact O-CB 3.4Å; E275-H278 PolarHBondContact O-N 3.31Å; E275-I279 PolarHBondContact O-N 3.5Å
276	R	96.5	Very high	92.4	Very high	35 Å²	35	50.3 Å²	50.3	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-28.9	176.1	-67.7	176.4	-175.5	-167.2	8.9	113.1	V232 V236 I272 L273 A280 R324 L326	V232-R276 VanDerWaalsContact CG1-NH1 3.26Å; V236-R276 VanDerWaalsContact CG2-CZ 3.43Å; I272-R276 WeakPolarHBondContact O-CG 3.27Å; I272-R276 PolarHBondContact O-N 3.43Å; I272-R276 VanDerWaalsContact O-N 3.07Å; L273-R276 PolarHBondContact O-N 3.09Å; R276-A280 PolarHBondContact O-N 3.39Å; R276-A280 VanDerWaalsContact O-N 3.08Å; R276-R324 VanDerWaalsContact CD-O 3.28Å; R276-R324 WeakPolarHBondContact CD-O 3.29Å; R276-R324 PolarHBondContact NE-O 3.14Å; R276-R324 PolarHBondContact NH1-O 3.35Å; R276-L326 HydrophobicContact CB-CD1 4.21Å; R276-L326 HydrophobicContact CB-CG 4.09Å
277	F	96.9	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-38.2	173	164.9	-89.1	0	0	0	111.9	F84 R112 E113 F116 L273 K274 E275 I279 A280 L326	F84-F277 HydrophobicContact CE1-CD1 4.32Å; F84-F277 AromaticContact CE1-CE1 3.7Å; F84-F277 HydrophobicContact CE1-CE1 3.7Å; F84-F277 AromaticContact CE1-CE2 3.91Å; F84-F277 HydrophobicContact CE1-CE2 3.91Å; F84-F277 AromaticContact CE1-CZ 3.46Å; F84-F277 HydrophobicContact CE1-CZ 3.46Å; F84-F277 VanDerWaalsContact CE1-CZ 3.46Å; F84-F277 AromaticContact CZ-CD1 3.94Å; F84-F277 HydrophobicContact CZ-CD1 3.94Å; F84-F277 AromaticContact CZ-CD2 3.9Å; F84-F277 HydrophobicContact CZ-CD2 3.9Å; F84-F277 AromaticContact CZ-CE1 3.79Å; F84-F277 HydrophobicContact CZ-CE1 3.79Å; F84-F277 AromaticContact CZ-CE2 3.73Å; F84-F277 HydrophobicContact CZ-CE2 3.73Å; F84-F277 AromaticContact CZ-CG 3.99Å; F84-F277 HydrophobicContact CZ-CG 3.99Å; F84-F277 AromaticContact CZ-CZ 3.67Å; F84-F277 HydrophobicContact CZ-CZ 3.67Å; R112-F277 HydrophobicContact CB-CD2 4.46Å; R112-F277 HydrophobicContact CB-CE2 3.97Å; R112-F277 VanDerWaalsContact CD-O 3.25Å; R112-F277 WeakPolarHBondContact CD-O 3.33Å; R112-F277 HydrophobicContact CG-CD2 3.71Å; R112-F277 HydrophobicContact CG-CE2 3.63Å; R112-F277 HydrophobicContact CG-CG 4.5Å; R112-F277 HydrophobicContact CG-CZ 4.35Å; R112-F277 VanDerWaalsContact CZ-CE1 3.46Å; R112-F277 VanDerWaalsContact CZ-CZ 3.49Å; R112-F277 VanDerWaalsContact NE-CE2 3.3Å; R112-F277 WeakPolarHBondContact O-CD2 3.08Å; E113-F277 HydrophobicContact CG-CE2 4.25Å; E113-F277 HydrophobicContact CG-CZ 4.49Å; E113-F277 WeakPolarHBondContact OE1-CZ 3.39Å; F116-F277 HydrophobicContact CB-CB 4.4Å; F116-F277 HydrophobicContact CB-CD2 3.81Å; F116-F277 HydrophobicContact CB-CG 4.47Å; F116-F277 HydrophobicContact CD2-CB 3.94Å; F116-F277 HydrophobicContact CG-CD2 4.48Å; L273-F277 WeakPolarHBondContact O-CB 3.31Å; L273-F277 PolarHBondContact O-N 2.85Å; K274-F277 HydrophobicContact CD-CD1 4.13Å; K274-F277 WeakPolarHBondContact O-CB 3.43Å; K274-F277 PolarHBondContact O-N 3.17Å; E275-F277 PolarHBondContact O-N 3Å; F277-I279 VanDerWaalsContact C-N 3.31Å; F277-I279 PolarHBondContact O-N 2.89Å; F277-A280 WeakPolarHBondContact O-CB 3.49Å; F277-A280 PolarHBondContact O-N 2.65Å; F277-L326 HydrophobicContact CB-CD1 4.24Å
278	H	94.7	Very high	88.1	Confident	104 Å²	104	60.6 Å²	60.6	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-35.4	178.3	-70.2	-63.4	0	0	0	112.6	K274 E275	K274-H278 WeakPolarHBondContact CE-NE2 3.45Å; K274-H278 PolarHBondContact O-CD2 2.87Å; K274-H278 PolarHBondContact O-N 2.73Å; E275-H278 WeakPolarHBondContact O-CB 3.4Å; E275-H278 PolarHBondContact O-N 3.31Å
279	I	93.5	Very high	85.8	Confident	97 Å²	97	64.4 Å²	64.4	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	12.2	180	65.7	168.5	0	0	0	113.9	E275 F277 E325	E275-I279 PolarHBondContact O-N 3.5Å; F277-I279 VanDerWaalsContact C-N 3.31Å; F277-I279 PolarHBondContact O-N 2.89Å; I279-E325 HydrophobicContact CD1-CG 4.24Å
280	A	95	Very high	83.7	Confident	14 Å²	14	71.2 Å²	71.2	12%	0.116	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-58.7	144	-175.9	0	0	0	0	0	111.9	R112 R276 F277 L326 Y328	R112-A280 HydrophobicContact CG-CB 3.85Å; R276-A280 PolarHBondContact O-N 3.39Å; R276-A280 VanDerWaalsContact O-N 3.08Å; F277-A280 WeakPolarHBondContact O-CB 3.49Å; F277-A280 PolarHBondContact O-N 2.65Å; A280-L326 CarbonylContact C-O 3.46Å; A280-L326 WeakPolarHBondContact CA-O 3.45Å; A280-L326 HydrophobicContact CB-CB 3.9Å; A280-Y328 HydrophobicContact CB-CD1 3.98Å; A280-Y328 HydrophobicContact CB-CE1 4.17Å; A280-Y328 WeakPolarHBondContact O-CE1 3.36Å
281	T	91.7	Very high	81.5	Confident	24 Å²	24	73 Å²	73	15%	0.147	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.2	-174.7	-72.4	0	0	0	0	111.9	I283 H295 L321 L326 V327 Y328	T281-I283 HydrophobicContact CG2-CG2 4.32Å; T281-I283 PolarHBondContact O-N 3.32Å; T281-H295 VanDerWaalsContact CG2-ND1 3.34Å; T281-H295 WeakPolarHBondContact CG2-ND1 3.3Å; T281-L321 HydrophobicContact CG2-CD2 4.17Å; T281-L326 PolarHBondContact N-O 3Å; T281-V327 WeakPolarHBondContact O-CA 3.41Å; T281-Y328 WeakPolarHBondContact O-CD1 3.43Å; T281-Y328 PolarHBondContact O-N 3.01Å
282	L	90.7	Very high	79.5	Confident	46 Å²	46	75.5 Å²	75.5	24%	0.241	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.2	168.5	-176.2	71.4	0	0	0	110.2	Y328	L282-Y328 CarbonylContact C-O 3.57Å; L282-Y328 VanDerWaalsContact CA-O 3.27Å; L282-Y328 WeakPolarHBondContact CA-O 3.26Å; L282-Y328 HydrophobicContact CB-CE1 4.06Å; L282-Y328 HydrophobicContact CB-CE2 4.06Å; L282-Y328 HydrophobicContact CD1-CD2 3.64Å; L282-Y328 HydrophobicContact CD1-CE2 3.39Å; L282-Y328 HydrophobicContact CD1-CG 4.42Å; L282-Y328 HydrophobicContact CG-CE2 4.26Å
283	I	88.3	Confident	77.5	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-99.7	149.2	175.8	53.6	157.2	0	0	0	110.6	I221 T281 L293 L321 V327 Y328 F329	I221-I283 HydrophobicContact CD1-CD1 4.06Å; I221-I283 HydrophobicContact CD1-CG1 4.47Å; I221-I283 HydrophobicContact CG1-CD1 4.04Å; T281-I283 HydrophobicContact CG2-CG2 4.32Å; T281-I283 PolarHBondContact O-N 3.32Å; I283-L293 HydrophobicContact CD1-CD1 4.29Å; I283-L293 HydrophobicContact CD1-CD2 3.66Å; I283-L293 HydrophobicContact CD1-CG 4.47Å; I283-L321 HydrophobicContact CG2-CD2 4.31Å; I283-V327 HydrophobicContact CD1-CB 4.4Å; I283-V327 HydrophobicContact CD1-CG2 4.21Å; I283-V327 HydrophobicContact CG1-CB 4.36Å; I283-V327 HydrophobicContact CG2-CB 4.04Å; I283-V327 HydrophobicContact CG2-CG1 4.16Å; I283-Y328 WeakPolarHBondContact CG1-O 3.38Å; I283-Y328 PolarHBondContact N-O 2.04Å; I283-F329 HydrophobicContact CD1-CB 4.29Å; I283-F329 HydrophobicContact CG1-CB 3.9Å; I283-F329 WeakPolarHBondContact O-CA 3.27Å; I283-F329 WeakPolarHBondContact O-CB 3.46Å
284	K	80.8	Confident	75.4	Confident	123 Å²	123	77.1 Å²	77.1	54%	0.535	40%	0.396	S	S	.	.			trans	-105	143.2	174.8	-72.4	178.7	175	170.9	0	110.3	Q286 S296	K284-Q286 PolarHBondContact O-N 2.94Å; K284-S296 WeakPolarHBondContact CE-OG 3.39Å; K284-S296 PolarHBondContact NZ-OG 2.84Å
285	A	67.4	Low	73.4	Confident	74 Å²	74	79.8 Å²	79.8	61%	0.612	41%	0.409	S	S	*	.			trans	-67.8	112.6	169.9	0	0	0	0	0	109.3	I221	I221-A285 HydrophobicContact CB-CB 4.43Å; I221-A285 HydrophobicContact CD1-CB 3.71Å; I221-A285 HydrophobicContact CG2-CB 4.48Å
286	Q	64	Low	71.2	Confident	94 Å²	94	74.8 Å²	74.8	44%	0.439	39%	0.389	S	S	.	.			trans	-107.1	127.9	166.3	-70.7	-169.8	5.4	0	0	109.3	K284 R288	K284-Q286 PolarHBondContact O-N 2.94Å; Q286-R288 PolarHBondContact O-N 3.45Å
287	N	52.3	Low	68.7	Low	167 Å²	167	79.8 Å²	79.8	89%	0.893	42%	0.418	S	S	*	.			trans	-73.1	32.9	174.3	-76	-17.5	0	0	0	113.1
288	R	54.5	Low	66.2	Low	180 Å²	180	87.4 Å²	87.4	68%	0.679	45%	0.453	S	S	*	.			trans	-90.1	121.7	169.2	-82.7	-175.1	160.2	178.2	-5.6	108.4	Q286 N290	Q286-R288 PolarHBondContact O-N 3.45Å; R288-N290 PolarHBondContact O-N 2.97Å
289	N	49.9	Very low	63.8	Low	163 Å²	163	89.3 Å²	89.3	87%	0.872	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	4.8	179.1	-69.6	-20	0	0	0	114.9
290	N	54.6	Low	61.2	Low	143 Å²	143	91.6 Å²	91.6	77%	0.765	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	7	-174.9	-91.6	33.5	0	0	0	115.3	R288 Q292	R288-N290 PolarHBondContact O-N 2.97Å; N290-Q292 PolarHBondContact O-N 2.99Å
291	G	52.4	Low	59	Low	39 Å²	39	99.1 Å²	99.1	40%	0.402	51%	0.513	S	S	.	.			trans	71.2	-2.9	171.9	0	0	0	0	0	115.9	R224	R224-G291 VanDerWaalsContact CZ-CA 3.5Å
292	Q	54.7	Low	56.7	Low	108 Å²	108	105.4 Å²	105.4	51%	0.505	55%	0.545	S	S	.	.			trans	-91	125.6	-170.4	-157.2	152.1	26.4	0	0	111.1	N290	N290-Q292 PolarHBondContact O-N 2.99Å
293	L	56.7	Low	54.4	Low	27 Å²	27	110.4 Å²	110.4	14%	0.141	57%	0.572	C	S	.	*			trans	-82	123.2	172.5	-62.7	173.8	0	0	0	107.4	R224 I283 L321 V327	R224-L293 HydrophobicContact CB-CD1 4.44Å; R224-L293 HydrophobicContact CB-CD2 4.03Å; I283-L293 HydrophobicContact CD1-CD1 4.29Å; I283-L293 HydrophobicContact CD1-CD2 3.66Å; I283-L293 HydrophobicContact CD1-CG 4.47Å; L293-L321 HydrophobicContact CB-CD1 3.23Å; L293-L321 HydrophobicContact CD1-CD1 4.3Å; L293-L321 HydrophobicContact CG-CD1 4.38Å; L293-L321 WeakPolarHBondContact O-CD1 3.42Å; L293-V327 HydrophobicContact CD1-CG2 4.45Å
294	D	54.8	Low	52.5	Low	32 Å²	32	118.1 Å²	118.1	17%	0.171	61%	0.608	C	S	.	*			trans	-110.1	148.1	178.2	-86.4	-30.3	0	0	0	110.4	R318	D294-R318 IonicContact OD1-CZ 3.26Å; D294-R318 IonicContact OD1-NE 3.58Å; D294-R318 PolarHBondContact OD1-NE 1.99Å; D294-R318 IonicContact OD1-NH2 3.05Å; D294-R318 PolarHBondContact OD1-NH2 3.06Å; D294-R318 IonicContact OD2-CZ 2.85Å; D294-R318 IonicContact OD2-NE 3.79Å; D294-R318 IonicContact OD2-NH2 3.6Å; D294-R318 PolarHBondContact OD2-NH2 3.38Å
295	H	55.7	Low	50.6	Low	72 Å²	72	119.2 Å²	119.2	33%	0.333	62%	0.62	S	S	.	*	B	Isolated β-bridge	trans	-66.1	144.6	178.7	-77	-84.3	0	0	0	112.8	T281 N297 R319	T281-H295 VanDerWaalsContact CG2-ND1 3.34Å; T281-H295 WeakPolarHBondContact CG2-ND1 3.3Å; H295-N297 PolarHBondContact O-N 3.08Å; H295-R319 PolarHBondContact CD2-O 3.18Å
296	S	50.1	Low	49.4	Very low	27 Å²	27	123.3 Å²	123.3	19%	0.189	63%	0.626	C	S	.	*			trans	-77.7	102.9	163.5	178.8	0	0	0	0	110.3	K284 H298	K284-S296 WeakPolarHBondContact CE-OG 3.39Å; K284-S296 PolarHBondContact NZ-OG 2.84Å; S296-H298 PolarHBondContact O-N 3.03Å
297	N	44.9	Very low	48.1	Very low	139 Å²	139	125.9 Å²	125.9	74%	0.743	64%	0.637	S	S	*	*			trans	-63.4	118.8	168.3	-118	7.4	0	0	0	109.5	H295	H295-N297 PolarHBondContact O-N 3.08Å
298	H	44.3	Very low	47.5	Very low	161 Å²	161	125.2 Å²	125.2	75%	0.745	63%	0.629	S	S	*	*			trans	-111	60.2	172.8	-134.3	-43.7	0	0	0	109.3	S296	S296-H298 PolarHBondContact O-N 3.03Å
299	N	42.9	Very low	47	Very low	143 Å²	143	121.1 Å²	121.1	77%	0.765	63%	0.627	S	S	*	*			trans	-93.7	110	165.9	-83.3	1.3	0	0	0	108.7
300	N	40.5	Very low	46.5	Very low	145 Å²	145	122.5 Å²	122.5	78%	0.775	63%	0.628	S	S	*	*			trans	-61.7	133.9	177.8	-144.8	13.1	0	0	0	109.8	N302	N300-N302 PolarHBondContact O-N 3.25Å
301	H	47.7	Very low	46.1	Very low	173 Å²	173	127.4 Å²	127.4	80%	0.801	64%	0.636	S	S	*	*			trans	-63.2	128.8	163.7	-95.7	22.7	0	0	0	109
302	N	43.3	Very low	45.3	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	65%	0.652	S	S	*	*			trans	-159.1	106.2	139.5	-97	-15.9	0	0	0	111.6	N300	N300-N302 PolarHBondContact O-N 3.25Å
303	N	41.9	Very low	44.5	Very low	151 Å²	151	135.1 Å²	135.1	81%	0.807	67%	0.666	S	S	*	*			trans	78.4	140.6	136	-128.6	5.7	0	0	0	123.3
304	H	48.5	Very low	43.7	Very low	164 Å²	164	141.7 Å²	141.7	76%	0.759	70%	0.696	S	S	*	*			trans	-60.2	141.4	-173.4	-69.3	-78.5	0	0	0	116.4
305	N	40.9	Very low	43	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	72%	0.722	S	S	*	*				171.2	145.7	93.2	-110.7	-18.4	0	0	0	114.1
306	H	42	Very low	42.3	Very low	160 Å²	160	149.2 Å²	149.2	74%	0.741	74%	0.742	S	S	*	*			trans	80.2	106.9	150.3	-102	53.4	0	0	0	124
307	H	38.3	Very low	41.9	Very low	147 Å²	147	156.4 Å²	156.4	68%	0.681	77%	0.772	S	S	*	*			trans	54.9	128.4	130.1	-91.3	-53.7	0	0	0	125.3
308	H	40	Very low	41.7	Very low	154 Å²	154	157 Å²	157	71%	0.713	76%	0.764	S	S	*	*			trans	86.4	95.8	145.3	-87.7	-66.6	0	0	0	121.3
309	S	43.5	Very low	41.9	Very low	93 Å²	93	159.4 Å²	159.4	65%	0.65	77%	0.766	S	S	*	*			trans	37.8	106.9	132.2	65.4	0	0	0	0	118.8
310	H	39.7	Very low	42.2	Very low	193 Å²	193	163.1 Å²	163.1	89%	0.894	77%	0.77	S	S	*	*				-147.3	138.4	118.9	-109.9	-82.8	0	0	0	110.3	E312	H310-E312 PolarHBondContact O-N 3.35Å
311	R	45.8	Very low	43	Very low	246 Å²	246	157.9 Å²	157.9	93%	0.928	74%	0.741	S	S	*	*			trans	-83.7	95.3	-166.8	-169.5	180	-177.4	-176.9	0.7	108.2
312	E	35.4	Very low	43.9	Very low	158 Å²	158	153 Å²	153	74%	0.738	72%	0.722	S	S	*	*			trans	-113.5	124.9	164.5	-71.1	-157.8	156.7	0	0	110.2	H310 H314	H310-E312 PolarHBondContact O-N 3.35Å; E312-H314 PolarHBondContact O-N 3.43Å
313	N	38.4	Very low	45.2	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	71%	0.707	S	S	*	*			trans	-62.9	77.4	172.9	-94.6	-18.5	0	0	0	110	H315	N313-H315 PolarHBondContact O-N 3.33Å
314	H	39.8	Very low	47	Very low	165 Å²	165	150.1 Å²	150.1	76%	0.764	69%	0.694	S	S	*	*			trans	-78.2	87	157.9	-81.6	-55.6	0	0	0	107.9	E312 S316	E312-H314 PolarHBondContact O-N 3.43Å; H314-S316 VanDerWaalsContact C-N 3.28Å; H314-S316 PolarHBondContact O-N 3.31Å
315	H	39.1	Very low	48.9	Very low	157 Å²	157	144.4 Å²	144.4	73%	0.727	67%	0.668	S	S	*	*			trans	-48.6	104.5	152.4	-80.9	-56.9	0	0	0	106.8	N313 H317	N313-H315 PolarHBondContact O-N 3.33Å; H315-H317 VanDerWaalsContact C-N 3.35Å; H315-H317 PolarHBondContact O-N 2.74Å
316	S	41.3	Very low	51.6	Low	106 Å²	106	137.4 Å²	137.4	74%	0.741	63%	0.63	S	S	*	*			trans	-55.1	107.2	171.6	65.7	0	0	0	0	105.8	H314 R318	H314-S316 VanDerWaalsContact C-N 3.28Å; H314-S316 PolarHBondContact O-N 3.31Å; S316-R318 PolarHBondContact O-N 3.01Å
317	H	41	Very low	54.1	Low	178 Å²	178	129.9 Å²	129.9	82%	0.824	60%	0.596	S	S	*	*			trans	-60.1	91.2	164.7	-82.3	-71.9	0	0	0	105.7	H315 R319	H315-H317 VanDerWaalsContact C-N 3.35Å; H315-H317 PolarHBondContact O-N 2.74Å; H317-R319 PolarHBondContact O-N 3.05Å
318	R	42	Very low	56.8	Low	152 Å²	152	125 Å²	125	57%	0.574	57%	0.571	S	S	*	*			trans	-57	90.1	162.1	-163.9	177.1	-177.6	-176.5	2.3	103.6	D294 S316 R320	D294-R318 IonicContact OD1-CZ 3.26Å; D294-R318 IonicContact OD1-NE 3.58Å; D294-R318 PolarHBondContact OD1-NE 1.99Å; D294-R318 IonicContact OD1-NH2 3.05Å; D294-R318 PolarHBondContact OD1-NH2 3.06Å; D294-R318 IonicContact OD2-CZ 2.85Å; D294-R318 IonicContact OD2-NE 3.79Å; D294-R318 IonicContact OD2-NH2 3.6Å; D294-R318 PolarHBondContact OD2-NH2 3.38Å; S316-R318 PolarHBondContact O-N 3.01Å; R318-R320 VanDerWaalsContact C-N 3.35Å; R318-R320 PolarHBondContact O-N 3.49Å
319	R	47.6	Very low	59.3	Low	210 Å²	210	120.3 Å²	120.3	79%	0.792	55%	0.549	S	S	*	.			trans	-56	105.6	-179	-81.3	-175.5	178.1	177.4	0.4	104.9	H295 H317 L321	H295-R319 PolarHBondContact CD2-O 3.18Å; H317-R319 PolarHBondContact O-N 3.05Å; R319-L321 PolarHBondContact O-N 2.89Å
320	R	50.5	Low	61.6	Low	222 Å²	222	118 Å²	118	84%	0.838	53%	0.528	S	S	*	.			trans	-58.1	134.7	172	-77.2	178.9	171.7	171.1	-2.8	105.7	R318 N322	R318-R320 VanDerWaalsContact C-N 3.35Å; R318-R320 PolarHBondContact O-N 3.49Å; R320-N322 PolarHBondContact O-N 3.14Å; R320-N322 VanDerWaalsContact O-N 3.14Å
321	L	57	Low	64.1	Low	34 Å²	34	116.7 Å²	116.7	18%	0.178	52%	0.52	C	S	.	.			trans	-45.1	126.2	172.4	-75.2	165.4	0	0	0	108.8	T281 I283 L293 R319 I323 V327	T281-L321 HydrophobicContact CG2-CD2 4.17Å; I283-L321 HydrophobicContact CG2-CD2 4.31Å; L293-L321 HydrophobicContact CB-CD1 3.23Å; L293-L321 HydrophobicContact CD1-CD1 4.3Å; L293-L321 HydrophobicContact CG-CD1 4.38Å; L293-L321 WeakPolarHBondContact O-CD1 3.42Å; R319-L321 PolarHBondContact O-N 2.89Å; L321-I323 PolarHBondContact O-N 3.12Å; L321-V327 HydrophobicContact CD2-CG1 4.32Å
322	N	66.3	Low	66.4	Low	72 Å²	72	107 Å²	107	39%	0.385	49%	0.489	S	S	.	.			trans	-61.4	113.7	171.9	-174.3	-2.3	0	0	0	106.7	R320 R324 E325	R320-N322 PolarHBondContact O-N 3.14Å; R320-N322 VanDerWaalsContact O-N 3.14Å; N322-R324 PolarHBondContact O-N 2.85Å; N322-R324 PolarHBondContact OD1-N 3.01Å; N322-E325 HydrophobicContact CB-CB 4.34Å; N322-E325 HydrophobicContact CB-CG 3.95Å; N322-E325 VanDerWaalsContact CB-OE1 3.31Å; N322-E325 WeakPolarHBondContact CB-OE1 3.31Å; N322-E325 PolarHBondContact ND2-OE1 2.65Å; N322-E325 PolarHBondContact O-N 2.73Å
323	I	69.6	Low	69.1	Low	102 Å²	102	101.4 Å²	101.4	52%	0.523	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-9.5	-175.1	-161.1	163.2	0	0	0	112.6	L321	L321-I323 PolarHBondContact O-N 3.12Å
324	R	79.6	Confident	71.6	Confident	144 Å²	144	98.8 Å²	98.8	54%	0.543	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-10.3	-179.4	-60.4	-177.9	167.5	-173.1	-6.6	114.2	V232 R276 N322	V232-R324 WeakPolarHBondContact CG1-O 3.46Å; R276-R324 VanDerWaalsContact CD-O 3.28Å; R276-R324 WeakPolarHBondContact CD-O 3.29Å; R276-R324 PolarHBondContact NE-O 3.14Å; R276-R324 PolarHBondContact NH1-O 3.35Å; N322-R324 PolarHBondContact O-N 2.85Å; N322-R324 PolarHBondContact OD1-N 3.01Å
325	E	89.9	Confident	74.1	Confident	43 Å²	43	91.4 Å²	91.4	20%	0.201	42%	0.419	C	S	.	.	S	Bend	trans	-91.9	149.9	-178.3	-75.9	167.2	-152.2	0	0	112.3	H228 I279 N322	H228-E325 PolarHBondContact NE2-O 3.26Å; I279-E325 HydrophobicContact CD1-CG 4.24Å; N322-E325 HydrophobicContact CB-CB 4.34Å; N322-E325 HydrophobicContact CB-CG 3.95Å; N322-E325 VanDerWaalsContact CB-OE1 3.31Å; N322-E325 WeakPolarHBondContact CB-OE1 3.31Å; N322-E325 PolarHBondContact ND2-OE1 2.65Å; N322-E325 PolarHBondContact O-N 2.73Å
326	L	96.4	Very high	76.7	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	39%	0.388	C	S	.	.			trans	-74.4	147.7	172	-66.6	177.2	0	0	0	110.7	A115 F116 A119 N229 V232 R276 F277 A280 T281	A115-L326 HydrophobicContact CB-CB 4.41Å; F116-L326 HydrophobicContact CB-CD1 4.37Å; A119-L326 HydrophobicContact CB-CD2 3.61Å; N229-L326 HydrophobicContact CB-CD2 4.08Å; N229-L326 WeakPolarHBondContact OD1-CA 3.26Å; N229-L326 WeakPolarHBondContact OD1-CD2 3.39Å; V232-L326 HydrophobicContact CB-CD2 4.18Å; V232-L326 HydrophobicContact CG1-CD2 3.84Å; V232-L326 HydrophobicContact CG1-CG 4.5Å; R276-L326 HydrophobicContact CB-CD1 4.21Å; R276-L326 HydrophobicContact CB-CG 4.09Å; F277-L326 HydrophobicContact CB-CD1 4.24Å; A280-L326 CarbonylContact C-O 3.46Å; A280-L326 WeakPolarHBondContact CA-O 3.45Å; A280-L326 HydrophobicContact CB-CB 3.9Å; T281-L326 PolarHBondContact N-O 3Å
327	V	94.4	Very high	79.2	Confident	2 Å²	2	84.3 Å²	84.3	1%	0.012	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.7	177.2	-57.1	0	0	0	0	111.1	A115 M225 H228 N229 T281 I283 L293 L321	A115-V327 VanDerWaalsContact CB-O 3.25Å; A115-V327 WeakPolarHBondContact CB-O 3.04Å; M225-V327 HydrophobicContact CG-CG2 4.16Å; M225-V327 VanDerWaalsContact CG-O 3.26Å; M225-V327 WeakPolarHBondContact CG-O 3.41Å; H228-V327 HydrophobicContact CB-CG2 4.17Å; N229-V327 PolarHBondContact ND2-O 2.75Å; N229-V327 PolarHBondContact OD1-N 3.13Å; T281-V327 WeakPolarHBondContact O-CA 3.41Å; I283-V327 HydrophobicContact CD1-CB 4.4Å; I283-V327 HydrophobicContact CD1-CG2 4.21Å; I283-V327 HydrophobicContact CG1-CB 4.36Å; I283-V327 HydrophobicContact CG2-CB 4.04Å; I283-V327 HydrophobicContact CG2-CG1 4.16Å; L293-V327 HydrophobicContact CD1-CG2 4.45Å; L321-V327 HydrophobicContact CD2-CG1 4.32Å
328	Y	94.6	Very high	81.6	Confident	43 Å²	43	84.6 Å²	84.6	17%	0.169	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159	176.4	72	-78.9	0	0	0	109.6	G110 R112 A280 T281 L282 I283 E330	G110-Y328 WeakPolarHBondContact O-CB 3.21Å; R112-Y328 HydrophobicContact CB-CD1 4.25Å; R112-Y328 HydrophobicContact CB-CD2 4.26Å; R112-Y328 HydrophobicContact CB-CE1 4.5Å; R112-Y328 HydrophobicContact CB-CE2 4.49Å; R112-Y328 HydrophobicContact CB-CG 4.12Å; R112-Y328 HydrophobicContact CG-CD1 4.07Å; R112-Y328 HydrophobicContact CG-CE1 4.22Å; R112-Y328 HydrophobicContact CG-CG 4.43Å; A280-Y328 HydrophobicContact CB-CD1 3.98Å; A280-Y328 HydrophobicContact CB-CE1 4.17Å; A280-Y328 WeakPolarHBondContact O-CE1 3.36Å; T281-Y328 WeakPolarHBondContact O-CD1 3.43Å; T281-Y328 PolarHBondContact O-N 3.01Å; L282-Y328 CarbonylContact C-O 3.57Å; L282-Y328 VanDerWaalsContact CA-O 3.27Å; L282-Y328 WeakPolarHBondContact CA-O 3.26Å; L282-Y328 HydrophobicContact CB-CE1 4.06Å; L282-Y328 HydrophobicContact CB-CE2 4.06Å; L282-Y328 HydrophobicContact CD1-CD2 3.64Å; L282-Y328 HydrophobicContact CD1-CE2 3.39Å; L282-Y328 HydrophobicContact CD1-CG 4.42Å; L282-Y328 HydrophobicContact CG-CE2 4.26Å; I283-Y328 WeakPolarHBondContact CG1-O 3.38Å; I283-Y328 PolarHBondContact N-O 2.04Å; Y328-E330 VanDerWaalsContact CD2-O 3.27Å; Y328-E330 WeakPolarHBondContact CD2-O 3.37Å
329	F	92.8	Very high	83.9	Confident	56 Å²	56	80.4 Å²	80.4	25%	0.246	36%	0.361	C	S	.	.			trans	-126.6	-6.2	-175.5	64.7	-94.2	0	0	0	114.5	G110 I221 H222 M225 I283	G110-F329 VanDerWaalsContact CA-CZ 3.43Å; G110-F329 PolarHBondContact O-N 3.27Å; I221-F329 HydrophobicContact CD1-CB 3.48Å; I221-F329 VanDerWaalsContact CD1-CB 3.48Å; I221-F329 HydrophobicContact CD1-CD1 4.22Å; I221-F329 HydrophobicContact CD1-CD2 4.3Å; I221-F329 HydrophobicContact CD1-CG 3.77Å; I221-F329 HydrophobicContact CG1-CB 4.11Å; I221-F329 HydrophobicContact CG1-CD1 3.92Å; I221-F329 HydrophobicContact CG1-CG 3.97Å; I221-F329 HydrophobicContact CG2-CD1 4.41Å; I221-F329 HydrophobicContact CG2-CD2 4.19Å; I221-F329 HydrophobicContact CG2-CE1 4.33Å; I221-F329 HydrophobicContact CG2-CE2 4.1Å; I221-F329 HydrophobicContact CG2-CG 4.33Å; I221-F329 HydrophobicContact CG2-CZ 4.15Å; H222-F329 HydrophobicContact CB-CE1 4.07Å; H222-F329 HydrophobicContact CB-CZ 3.97Å; H222-F329 AromaticContact CD2-CE1 3.97Å; H222-F329 AromaticContact CD2-CZ 3.81Å; M225-F329 HydrophobicContact CB-CD1 4.07Å; M225-F329 HydrophobicContact CB-CE1 4.22Å; M225-F329 HydrophobicContact CE-CD1 4.4Å; M225-F329 HydrophobicContact CE-CE1 3.88Å; M225-F329 HydrophobicContact CG-CD1 4.25Å; M225-F329 HydrophobicContact SD-CD1 3.46Å; M225-F329 WeakPolarHBondContact SD-CD1 3.08Å; M225-F329 HydrophobicContact SD-CE1 3.56Å; M225-F329 VanDerWaalsContact SD-CE1 3.56Å; I283-F329 HydrophobicContact CD1-CB 4.29Å; I283-F329 HydrophobicContact CG1-CB 3.9Å; I283-F329 WeakPolarHBondContact O-CA 3.27Å; I283-F329 WeakPolarHBondContact O-CB 3.46Å
330	E	92.1	Very high	85.6	Confident	46 Å²	46	75.8 Å²	75.8	22%	0.215	35%	0.352	C	S	.	.	S	Bend	trans	-124.1	136.6	-178.3	-163.4	-171.6	163.5	0	0	110.2	R109 G110 F111 Y328 S332	R109-E330 IonicContact CZ-OE1 2.94Å; R109-E330 VanDerWaalsContact CZ-OE1 3.24Å; R109-E330 IonicContact CZ-OE2 3.95Å; R109-E330 IonicContact NE-OE1 2.59Å; R109-E330 PolarHBondContact NE-OE1 2.82Å; R109-E330 IonicContact NE-OE2 3.71Å; R109-E330 PolarHBondContact NE-OE2 3.48Å; R109-E330 IonicContact NH2-OE1 3.24Å; R109-E330 PolarHBondContact NH2-OE1 3.28Å; R109-E330 IonicContact NH2-OE2 3.6Å; G110-E330 PolarHBondContact N-OE2 2.8Å; G110-E330 VanDerWaalsContact N-OE2 3.15Å; G110-E330 WeakPolarHBondContact O-CB 3.49Å; G110-E330 PolarHBondContact O-N 3.15Å; F111-E330 HydrophobicContact CD1-CB 3.95Å; F111-E330 HydrophobicContact CD1-CG 3.97Å; F111-E330 HydrophobicContact CE1-CB 4.24Å; F111-E330 HydrophobicContact CE1-CG 3.74Å; F111-E330 WeakPolarHBondContact CE1-OE1 2.9Å; Y328-E330 VanDerWaalsContact CD2-O 3.27Å; Y328-E330 WeakPolarHBondContact CD2-O 3.37Å; E330-S332 PolarHBondContact O-N 3.28Å
331	K	92.7	Very high	87.1	Confident	165 Å²	165	69 Å²	69	72%	0.717	34%	0.339	S	S	*	.			trans	-68	131.9	174.7	-69.5	-174	178.1	-177.5	0	109.7	F111	F111-K331 WeakPolarHBondContact CD1-O 2.94Å; F111-K331 VanDerWaalsContact CE1-O 3.25Å; F111-K331 WeakPolarHBondContact CE1-O 3.21Å
332	S	93.3	Very high	88.2	Confident	41 Å²	41	67.9 Å²	67.9	29%	0.287	33%	0.333	S	S	.	.			trans	-64.2	145.3	176.1	-51.3	0	0	0	0	111.3	E113 E330	E113-S332 VanDerWaalsContact OE2-CB 3.24Å; E113-S332 WeakPolarHBondContact OE2-CB 3.48Å; E113-S332 PolarHBondContact OE2-OG 2.86Å; E330-S332 PolarHBondContact O-N 3.28Å
333	P	93	Very high	88.9	Confident	41 Å²	41	65.5 Å²	65.5	27%	0.266	32%	0.32	S	S	.	.			trans	-67.7	174.4	170.2	35.1	-40.5	0	0	0	110.4	F111 F335	F111-P333 HydrophobicContact CE2-CG 4.27Å; F111-P333 HydrophobicContact CZ-CG 4.31Å; P333-F335 VanDerWaalsContact C-N 3.27Å; P333-F335 HydrophobicContact CG-CD1 3.79Å; P333-F335 HydrophobicContact CG-CD2 4.15Å; P333-F335 HydrophobicContact CG-CE1 3.48Å; P333-F335 VanDerWaalsContact CG-CE1 3.48Å; P333-F335 HydrophobicContact CG-CE2 3.89Å; P333-F335 HydrophobicContact CG-CG 4.12Å; P333-F335 HydrophobicContact CG-CZ 3.55Å; P333-F335 VanDerWaalsContact O-CD2 3.26Å; P333-F335 WeakPolarHBondContact O-CD2 3.06Å; P333-F335 PolarHBondContact O-N 3.07Å
334	D	89.9	Confident	89.8	Confident	95 Å²	95	60.9 Å²	60.9	51%	0.508	30%	0.297	S	S	.	.			trans	-74.2	-16	178.7	61.5	24.9	0	0	0	114.4	R88 C336	R88-D334 WeakPolarHBondContact CD-O 3.03Å; R88-D334 PolarHBondContact NH1-O 3.19Å; D334-C336 HydrophobicContact CB-CB 4.49Å; D334-C336 PolarHBondContact O-N 3.33Å; D334-C336 VanDerWaalsContact O-N 3.11Å; D334-C336 PolarHBondContact OD1-N 2.02Å
335	F	93.8	Very high	90.2	Very high	11 Å²	11	57 Å²	57	5%	0.048	30%	0.296	C	S	.	.			trans	52.8	19.4	-174.6	-57.5	-77.5	0	0	0	114.8	R88 W89 E113 P333 S344	R88-F335 HydrophobicContact CB-CB 3.83Å; W89-F335 HydrophobicContact CB-CB 4.43Å; W89-F335 HydrophobicContact CB-CD1 3.95Å; W89-F335 HydrophobicContact CB-CD2 3.86Å; W89-F335 HydrophobicContact CB-CE1 4.07Å; W89-F335 HydrophobicContact CB-CE2 3.96Å; W89-F335 HydrophobicContact CB-CG 3.83Å; W89-F335 HydrophobicContact CB-CZ 4.06Å; W89-F335 AromaticContact CD1-CE1 3.7Å; W89-F335 HydrophobicContact CG-CD1 4.33Å; W89-F335 HydrophobicContact CG-CE1 4.09Å; W89-F335 HydrophobicContact CG-CZ 4.19Å; E113-F335 HydrophobicContact CG-CE2 4.1Å; E113-F335 HydrophobicContact CG-CZ 4.06Å; P333-F335 VanDerWaalsContact C-N 3.27Å; P333-F335 HydrophobicContact CG-CD1 3.79Å; P333-F335 HydrophobicContact CG-CD2 4.15Å; P333-F335 HydrophobicContact CG-CE1 3.48Å; P333-F335 VanDerWaalsContact CG-CE1 3.48Å; P333-F335 HydrophobicContact CG-CE2 3.89Å; P333-F335 HydrophobicContact CG-CG 4.12Å; P333-F335 HydrophobicContact CG-CZ 3.55Å; P333-F335 VanDerWaalsContact O-CD2 3.26Å; P333-F335 WeakPolarHBondContact O-CD2 3.06Å; P333-F335 PolarHBondContact O-N 3.07Å; F335-S344 VanDerWaalsContact CA-OG 3.31Å; F335-S344 WeakPolarHBondContact CA-OG 3.42Å; F335-S344 PolarHBondContact O-OG 2.86Å
336	C	93.8	Very high	90.3	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.074	29%	0.292	C	S	.	.			trans	-78.2	-46	-174.2	-78.2	0	0	0	0	111.9	D334 G346 T347 C367 R369	D334-C336 HydrophobicContact CB-CB 4.49Å; D334-C336 PolarHBondContact O-N 3.33Å; D334-C336 VanDerWaalsContact O-N 3.11Å; D334-C336 PolarHBondContact OD1-N 2.02Å; C336-G346 WeakPolarHBondContact O-CA 3.31Å; C336-T347 PolarHBondContact O-N 2.99Å; C336-T347 PolarHBondContact O-OG1 3.46Å; C336-C367 WeakPolarHBondContact CA-SG 3.21Å; C336-C367 HydrophobicContact CB-CB 3.69Å; C336-C367 WeakPolarHBondContact CB-SG 3.02Å; C336-C367 WeakPolarHBondContact SG-CB 3.35Å; C336-C367 CovalentContact SG-SG 2.03Å; C336-C367 PolarHBondContact SG-SG 3.47Å; C336-R369 PolarHBondContact O-NH1 3.04Å; C336-R369 VanDerWaalsContact O-NH1 3.1Å
337	D	93.4	Very high	90.3	Very high	102 Å²	102	55.5 Å²	55.5	55%	0.545	29%	0.292	S	S	.	.	S	Bend	trans	-105.7	156.4	-179.7	-60.6	-35.6	0	0	0	110	D339 S344 R369	D337-D339 PolarHBondContact O-N 3.06Å; D337-S344 WeakPolarHBondContact O-CB 3.33Å; D337-S344 PolarHBondContact O-OG 3.09Å; D337-R369 IonicContact OD1-CZ 3.58Å; D337-R369 IonicContact OD1-NH1 3.85Å; D337-R369 PolarHBondContact OD1-NH1 3.38Å
338	R	91.1	Very high	90.3	Very high	185 Å²	185	62.2 Å²	62.2	70%	0.698	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	120	179.3	179.6	179.8	154.6	125.2	-3.7	109.1	S344	R338-S344 CarbonylContact C-O 3.55Å; R338-S344 WeakPolarHBondContact CA-O 3.47Å
339	D	89.7	Confident	90.2	Very high	63 Å²	63	62.6 Å²	62.6	34%	0.337	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	110.2	174.9	172.2	21.2	0	0	0	109.2	D337 S341 S342 D343 S344	D337-D339 PolarHBondContact O-N 3.06Å; D339-S341 VanDerWaalsContact CG-OG 3.25Å; D339-S341 PolarHBondContact O-N 3.5Å; D339-S341 WeakPolarHBondContact OD1-CB 3.49Å; D339-S341 PolarHBondContact OD1-N 3.49Å; D339-S341 PolarHBondContact OD1-OG 3.26Å; D339-S341 PolarHBondContact OD2-OG 3.43Å; D339-S342 VanDerWaalsContact CG-OG 3.28Å; D339-S342 PolarHBondContact O-N 3.37Å; D339-S342 VanDerWaalsContact OD2-CB 3.27Å; D339-S342 WeakPolarHBondContact OD2-CB 3.32Å; D339-S342 PolarHBondContact OD2-N 3.4Å; D339-S342 PolarHBondContact OD2-OG 3.3Å; D339-D343 PolarHBondContact O-N 2.83Å; D339-S344 CarbonylContact C-O 3.57Å; D339-S344 PolarHBondContact N-O 2.85Å; D339-S344 PolarHBondContact O-N 3.46Å
340	L	83	Confident	90.3	Very high	114 Å²	114	61.5 Å²	61.5	60%	0.597	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-65.4	-30.2	179.4	-66	173.5	0	0	0	111.6	I105 S342 D343	I105-L340 WeakPolarHBondContact CD1-O 3.17Å; L340-S342 VanDerWaalsContact C-N 3.28Å; L340-S342 PolarHBondContact O-N 3.23Å; L340-D343 PolarHBondContact O-N 3.05Å
341	S	82.4	Confident	90.3	Very high	80 Å²	80	64.2 Å²	64.2	56%	0.559	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-72	-22.6	-175.1	75.6	0	0	0	0	113.9	I105 D339	I105-S341 WeakPolarHBondContact CG2-O 3.41Å; D339-S341 VanDerWaalsContact CG-OG 3.25Å; D339-S341 PolarHBondContact O-N 3.5Å; D339-S341 WeakPolarHBondContact OD1-CB 3.49Å; D339-S341 PolarHBondContact OD1-N 3.49Å; D339-S341 PolarHBondContact OD1-OG 3.26Å; D339-S341 PolarHBondContact OD2-OG 3.43Å
342	S	81.1	Confident	90.4	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.063	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-113.2	9.5	178.7	64.6	0	0	0	0	113.6	D339 L340 S344	D339-S342 VanDerWaalsContact CG-OG 3.28Å; D339-S342 PolarHBondContact O-N 3.37Å; D339-S342 VanDerWaalsContact OD2-CB 3.27Å; D339-S342 WeakPolarHBondContact OD2-CB 3.32Å; D339-S342 PolarHBondContact OD2-N 3.4Å; D339-S342 PolarHBondContact OD2-OG 3.3Å; L340-S342 VanDerWaalsContact C-N 3.28Å; L340-S342 PolarHBondContact O-N 3.23Å; S342-S344 PolarHBondContact O-N 3.33Å
343	D	79.8	Confident	90.5	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.118	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	29.1	-178.4	-153.4	38.8	0	0	0	113.8	S93 I105 V106 D339 L340	S93-D343 WeakPolarHBondContact CB-OD1 3.19Å; S93-D343 WeakPolarHBondContact CB-OD2 3.49Å; S93-D343 PolarHBondContact OG-OD1 3.01Å; S93-D343 PolarHBondContact OG-OD2 2.89Å; I105-D343 HydrophobicContact CB-CB 3.98Å; I105-D343 HydrophobicContact CG2-CB 4.2Å; V106-D343 HydrophobicContact CB-CB 3.99Å; V106-D343 VanDerWaalsContact CB-OD2 3.24Å; V106-D343 WeakPolarHBondContact CB-OD2 3.44Å; V106-D343 WeakPolarHBondContact CG1-OD2 3Å; D339-D343 PolarHBondContact O-N 2.83Å; L340-D343 PolarHBondContact O-N 3.05Å
344	S	88.2	Confident	90.4	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.7	176.6	-176.9	0	0	0	0	110.9	F335 D337 R338 D339 S342 G346	F335-S344 VanDerWaalsContact CA-OG 3.31Å; F335-S344 WeakPolarHBondContact CA-OG 3.42Å; F335-S344 PolarHBondContact O-OG 2.86Å; D337-S344 WeakPolarHBondContact O-CB 3.33Å; D337-S344 PolarHBondContact O-OG 3.09Å; R338-S344 CarbonylContact C-O 3.55Å; R338-S344 WeakPolarHBondContact CA-O 3.47Å; D339-S344 CarbonylContact C-O 3.57Å; D339-S344 PolarHBondContact N-O 2.85Å; D339-S344 PolarHBondContact O-N 3.46Å; S342-S344 PolarHBondContact O-N 3.33Å; S344-G346 PolarHBondContact O-N 2.03Å; S344-G346 PolarHBondContact OG-N 3.48Å
345	A	89.1	Confident	90.4	Very high	64 Å²	64	62.1 Å²	62.1	53%	0.529	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-14.6	171.6	0	0	0	0	0	113
346	G	92.3	Very high	90.3	Very high	11 Å²	11	62.5 Å²	62.5	11%	0.113	35%	0.345	C	S	.	.			trans	77.5	169.8	-167.8	0	0	0	0	0	112.9	C336 S344	C336-G346 WeakPolarHBondContact O-CA 3.31Å; S344-G346 PolarHBondContact O-N 2.03Å; S344-G346 PolarHBondContact OG-N 3.48Å
347	T	94.9	Very high	90.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-107.5	-1.6	-178.6	60.2	0	0	0	0	114.9	R88 C336 R350 L365 R369 C406	R88-T347 HydrophobicContact CB-CG2 3.85Å; R88-T347 HydrophobicContact CG-CG2 3.99Å; C336-T347 PolarHBondContact O-N 2.99Å; C336-T347 PolarHBondContact O-OG1 3.46Å; T347-R350 WeakPolarHBondContact O-CB 3.41Å; T347-R350 WeakPolarHBondContact O-CG 3Å; T347-R350 PolarHBondContact O-N 3.13Å; T347-L365 WeakPolarHBondContact CB-O 3.41Å; T347-L365 HydrophobicContact CG2-CD1 4.38Å; T347-L365 VanDerWaalsContact CG2-O 3.28Å; T347-L365 WeakPolarHBondContact CG2-O 3.4Å; T347-L365 PolarHBondContact OG1-O 3.28Å; T347-R369 PolarHBondContact OG1-NH2 3.28Å; T347-C406 WeakPolarHBondContact O-CB 3.29Å
348	Q	94.7	Very high	89.9	Confident	142 Å²	142	65.1 Å²	65.1	66%	0.664	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	138.1	174.7	179.6	167.8	34.5	0	0	111.4	R350 K407	Q348-R350 PolarHBondContact O-N 3.29Å; Q348-K407 VanDerWaalsContact CG-OXT 3.3Å; Q348-K407 WeakPolarHBondContact CG-OXT 3.48Å; Q348-K407 PolarHBondContact NE2-OXT 2.95Å
349	G	93.1	Very high	89.8	Confident	51 Å²	51	59.8 Å²	59.8	53%	0.526	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	2.1	179.5	0	0	0	0	0	114.9	V405 C406	G349-V405 VanDerWaalsContact C-CG1 3.44Å; G349-V405 WeakPolarHBondContact O-CG1 3.27Å; G349-C406 PolarHBondContact N-O 3.43Å
350	R	93.9	Very high	89.9	Confident	33 Å²	33	59.1 Å²	59.1	13%	0.125	35%	0.354	C	S	.	.			trans	-83.5	141	177.9	-66.3	-170.6	62.6	-172.6	-5.6	112.3	R85 H87 R88 T347 Q348 L365 V405 C406	R85-R350 PolarHBondContact O-NH2 2.8Å; H87-R350 PolarHBondContact O-NH1 2.96Å; H87-R350 PolarHBondContact O-NH2 3.42Å; R88-R350 PolarHBondContact O-NH1 3.45Å; T347-R350 WeakPolarHBondContact O-CB 3.41Å; T347-R350 WeakPolarHBondContact O-CG 3Å; T347-R350 PolarHBondContact O-N 3.13Å; Q348-R350 PolarHBondContact O-N 3.29Å; R350-L365 HydrophobicContact CB-CD2 4.28Å; R350-V405 CarbonylContact O-C 3.57Å; R350-V405 WeakPolarHBondContact O-CA 3.5Å; R350-C406 PolarHBondContact O-N 3.2Å
351	I	94.1	Very high	90.5	Very high	103 Å²	103	55.3 Å²	55.3	53%	0.528	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.5	172.9	-58	171.3	0	0	0	108.9	L365 V403 S404 V405	I351-L365 WeakPolarHBondContact O-CD2 3.07Å; I351-V403 HydrophobicContact CG2-CB 4.46Å; I351-S404 CarbonylContact C-O 3.52Å; I351-S404 WeakPolarHBondContact CA-O 3.06Å; I351-V405 HydrophobicContact CG1-CG2 4.43Å
352	C	94.8	Very high	91.1	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.8	177.7	67.9	0	0	0	0	110.9	D360 C362 L365 C366 S404	C352-D360 WeakPolarHBondContact CA-O 3.04Å; C352-C362 VanDerWaalsContact C-SG 3.52Å; C352-C362 HydrophobicContact CB-CB 3.83Å; C352-C362 WeakPolarHBondContact CB-SG 3.34Å; C352-C362 WeakPolarHBondContact SG-CA 3.18Å; C352-C362 WeakPolarHBondContact SG-CB 3.42Å; C352-C362 CovalentContact SG-SG 2.04Å; C352-C362 PolarHBondContact SG-SG 3.13Å; C352-L365 HydrophobicContact CB-CB 4.37Å; C352-L365 HydrophobicContact CB-CD2 3.91Å; C352-C366 VanDerWaalsContact SG-SG 3.69Å; C352-S404 PolarHBondContact N-O 3.18Å
353	N	94.1	Very high	91.6	Very high	70 Å²	70	58.9 Å²	58.9	37%	0.374	34%	0.342	S	S	.	.			trans	-116.8	114.4	179.8	-176.7	-2.3	0	0	0	111.3	T355 S356 D360 N361	N353-T355 VanDerWaalsContact C-N 3.26Å; N353-T355 PolarHBondContact O-N 3.34Å; N353-T355 PolarHBondContact OD1-N 2.94Å; N353-T355 VanDerWaalsContact OD1-N 3.09Å; N353-T355 PolarHBondContact OD1-OG1 3.02Å; N353-S356 PolarHBondContact O-N 3.3Å; N353-D360 PolarHBondContact N-O 3.38Å; N353-N361 VanDerWaalsContact O-CA 3.28Å; N353-N361 WeakPolarHBondContact O-CA 3.43Å
354	K	91	Very high	92.3	Very high	96 Å²	96	59.5 Å²	59.5	42%	0.417	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.3	-177.7	-56.8	-175	-161.9	-178.4	0	114.1	N361 H371 S404	K354-N361 PolarHBondContact O-ND2 2.85Å; K354-N361 VanDerWaalsContact O-ND2 3.15Å; K354-H371 WeakPolarHBondContact CE-NE2 3.36Å; K354-S404 WeakPolarHBondContact CE-OG 3.48Å
355	T	90.5	Very high	92.6	Very high	124 Å²	124	59.3 Å²	59.3	76%	0.761	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-7	-175.5	57.9	0	0	0	0	113	N353	N353-T355 VanDerWaalsContact C-N 3.26Å; N353-T355 PolarHBondContact O-N 3.34Å; N353-T355 PolarHBondContact OD1-N 2.94Å; N353-T355 VanDerWaalsContact OD1-N 3.09Å; N353-T355 PolarHBondContact OD1-OG1 3.02Å
356	S	92.3	Very high	92.9	Very high	18 Å²	18	56.3 Å²	56.3	13%	0.126	32%	0.321	C	S	.	.			trans	-70.7	136.7	-179.3	-176.4	0	0	0	0	111	N353 G358 D360 N361	N353-S356 PolarHBondContact O-N 3.3Å; S356-G358 PolarHBondContact OG-N 2.03Å; S356-D360 VanDerWaalsContact CB-CG 3.5Å; S356-D360 WeakPolarHBondContact CB-OD1 3.02Å; S356-D360 WeakPolarHBondContact CB-OD2 3.47Å; S356-D360 PolarHBondContact OG-OD1 3.01Å; S356-D360 PolarHBondContact OG-OD2 3.5Å; S356-D360 VanDerWaalsContact OG-OD2 3.06Å; S356-N361 WeakPolarHBondContact O-CB 3.36Å; S356-N361 PolarHBondContact O-ND2 2.87Å
357	P	89.6	Confident	93	Very high	137 Å²	137	57.5 Å²	57.5	89%	0.89	33%	0.327	S	S	*	.	S	Bend	trans	-78.8	-7.2	168.9	33.9	-35.6	0	0	0	112.9
358	G	87.4	Confident	92.9	Very high	32 Å²	32	60.6 Å²	60.6	33%	0.33	36%	0.36	S	S	.	.	S	Bend	trans	-87.7	-173.1	-174.7	0	0	0	0	0	114.7	S356 D360 N361	S356-G358 PolarHBondContact OG-N 2.03Å; G358-D360 WeakPolarHBondContact CA-OD1 3.32Å; G358-D360 PolarHBondContact O-N 3.45Å; G358-N361 WeakPolarHBondContact O-CB 3.47Å; G358-N361 PolarHBondContact O-N 2.82Å; G358-N361 VanDerWaalsContact O-N 3.12Å
359	M	89.1	Confident	92.9	Very high	73 Å²	73	57.6 Å²	57.6	36%	0.36	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.9	175.1	-70.2	-174.7	72.9	0	0	113.7	G86 H87 N361 L365	G86-M359 CarbonylContact O-C 3.54Å; H87-M359 PolarHBondContact CD2-SD 2.8Å; M359-N361 PolarHBondContact O-N 3.32Å; M359-L365 WeakPolarHBondContact O-CB 3.35Å
360	D	92.8	Very high	92.9	Very high	49 Å²	49	56.4 Å²	56.4	26%	0.262	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.7	172.7	61.7	-46.7	0	0	0	112.5	G86 C352 N353 S356 G358	G86-D360 WeakPolarHBondContact O-CA 3.21Å; G86-D360 PolarHBondContact O-N 2.89Å; G86-D360 VanDerWaalsContact O-N 3.08Å; C352-D360 WeakPolarHBondContact CA-O 3.04Å; N353-D360 PolarHBondContact N-O 3.38Å; S356-D360 VanDerWaalsContact CB-CG 3.5Å; S356-D360 WeakPolarHBondContact CB-OD1 3.02Å; S356-D360 WeakPolarHBondContact CB-OD2 3.47Å; S356-D360 PolarHBondContact OG-OD1 3.01Å; S356-D360 PolarHBondContact OG-OD2 3.5Å; S356-D360 VanDerWaalsContact OG-OD2 3.06Å; G358-D360 WeakPolarHBondContact CA-OD1 3.32Å; G358-D360 PolarHBondContact O-N 3.45Å
361	N	95.3	Very high	93.1	Very high	33 Å²	33	57.6 Å²	57.6	18%	0.176	34%	0.337	C	S	.	.	S	Bend	trans	-57.9	137.6	171.1	-171.3	-80.9	0	0	0	111.5	N353 K354 S356 G358 M359 E363 S364 L365	N353-N361 VanDerWaalsContact O-CA 3.28Å; N353-N361 WeakPolarHBondContact O-CA 3.43Å; K354-N361 PolarHBondContact O-ND2 2.85Å; K354-N361 VanDerWaalsContact O-ND2 3.15Å; S356-N361 WeakPolarHBondContact O-CB 3.36Å; S356-N361 PolarHBondContact O-ND2 2.87Å; G358-N361 WeakPolarHBondContact O-CB 3.47Å; G358-N361 PolarHBondContact O-N 2.82Å; G358-N361 VanDerWaalsContact O-N 3.12Å; M359-N361 PolarHBondContact O-N 3.32Å; N361-E363 VanDerWaalsContact C-N 3.26Å; N361-E363 PolarHBondContact O-N 3.19Å; N361-E363 VanDerWaalsContact OD1-CB 3.24Å; N361-E363 WeakPolarHBondContact OD1-CB 3.16Å; N361-E363 PolarHBondContact OD1-N 3.04Å; N361-S364 PolarHBondContact O-N 3.21Å; N361-S364 VanDerWaalsContact O-N 3.11Å; N361-L365 VanDerWaalsContact O-CB 3.28Å; N361-L365 WeakPolarHBondContact O-CB 3.09Å; N361-L365 PolarHBondContact O-N 2.63Å
362	C	94.9	Very high	93.1	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.034	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-34	-179.3	-64.2	0	0	0	0	113.9	C352 C366 H371	C352-C362 VanDerWaalsContact C-SG 3.52Å; C352-C362 HydrophobicContact CB-CB 3.83Å; C352-C362 WeakPolarHBondContact CB-SG 3.34Å; C352-C362 WeakPolarHBondContact SG-CA 3.18Å; C352-C362 WeakPolarHBondContact SG-CB 3.42Å; C352-C362 CovalentContact SG-SG 2.04Å; C352-C362 PolarHBondContact SG-SG 3.13Å; C362-C366 WeakPolarHBondContact O-CB 3.4Å; C362-C366 PolarHBondContact O-N 2.91Å; C362-C366 PolarHBondContact O-SG 2.94Å; C362-H371 WeakPolarHBondContact CB-ND1 3.35Å
363	E	92.7	Very high	93.1	Very high	160 Å²	160	60 Å²	60	75%	0.748	35%	0.349	S	S	*	.	H	α-helix	trans	-66	-43	176.6	-170.7	172.8	-176.7	0	0	111.6	N361 G368	N361-E363 VanDerWaalsContact C-N 3.26Å; N361-E363 PolarHBondContact O-N 3.19Å; N361-E363 VanDerWaalsContact OD1-CB 3.24Å; N361-E363 WeakPolarHBondContact OD1-CB 3.16Å; N361-E363 PolarHBondContact OD1-N 3.04Å; E363-G368 PolarHBondContact O-N 2.89Å
364	S	92.7	Very high	93.1	Very high	35 Å²	35	60.9 Å²	60.9	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-78	-46.9	-179.5	-172.7	0	0	0	0	112.8	R88 N361	R88-S364 VanDerWaalsContact CZ-O 3.29Å; R88-S364 PolarHBondContact NE-O 3.25Å; R88-S364 PolarHBondContact NH2-O 3.46Å; N361-S364 PolarHBondContact O-N 3.21Å; N361-S364 VanDerWaalsContact O-N 3.11Å
365	L	95.3	Very high	93.2	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-71.2	-40.7	-175.6	-167.7	62.5	0	0	0	111.7	R88 T347 R350 I351 C352 M359 N361 C367	R88-L365 HydrophobicContact CG-CD1 4.27Å; T347-L365 WeakPolarHBondContact CB-O 3.41Å; T347-L365 HydrophobicContact CG2-CD1 4.38Å; T347-L365 VanDerWaalsContact CG2-O 3.28Å; T347-L365 WeakPolarHBondContact CG2-O 3.4Å; T347-L365 PolarHBondContact OG1-O 3.28Å; R350-L365 HydrophobicContact CB-CD2 4.28Å; I351-L365 WeakPolarHBondContact O-CD2 3.07Å; C352-L365 HydrophobicContact CB-CB 4.37Å; C352-L365 HydrophobicContact CB-CD2 3.91Å; M359-L365 WeakPolarHBondContact O-CB 3.35Å; N361-L365 VanDerWaalsContact O-CB 3.28Å; N361-L365 WeakPolarHBondContact O-CB 3.09Å; N361-L365 PolarHBondContact O-N 2.63Å; L365-C367 VanDerWaalsContact C-N 3.25Å; L365-C367 PolarHBondContact O-N 3Å
366	C	95.9	Very high	93.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.5	-178.4	-46.7	0	0	0	0	113.3	C352 C362 G368 R369 G370 C406	C352-C366 VanDerWaalsContact SG-SG 3.69Å; C362-C366 WeakPolarHBondContact O-CB 3.4Å; C362-C366 PolarHBondContact O-N 2.91Å; C362-C366 PolarHBondContact O-SG 2.94Å; C366-G368 PolarHBondContact O-N 3.09Å; C366-R369 WeakPolarHBondContact O-CB 2.82Å; C366-R369 PolarHBondContact O-N 3.4Å; C366-G370 WeakPolarHBondContact CB-O 3.45Å; C366-C406 WeakPolarHBondContact CA-SG 3.05Å; C366-C406 HydrophobicContact CB-CB 3.61Å; C366-C406 WeakPolarHBondContact CB-SG 3.37Å; C366-C406 WeakPolarHBondContact SG-CA 3.3Å; C366-C406 WeakPolarHBondContact SG-CB 3.47Å; C366-C406 CovalentContact SG-SG 2.04Å; C366-C406 PolarHBondContact SG-SG 2.63Å
367	C	94.8	Very high	93.3	Very high	36 Å²	36	63.1 Å²	63.1	24%	0.243	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	38.8	174.4	-55	0	0	0	0	113.6	C336 L365 R369	C336-C367 WeakPolarHBondContact CA-SG 3.21Å; C336-C367 HydrophobicContact CB-CB 3.69Å; C336-C367 WeakPolarHBondContact CB-SG 3.02Å; C336-C367 WeakPolarHBondContact SG-CB 3.35Å; C336-C367 CovalentContact SG-SG 2.03Å; C336-C367 PolarHBondContact SG-SG 3.47Å; L365-C367 VanDerWaalsContact C-N 3.25Å; L365-C367 PolarHBondContact O-N 3Å; C367-R369 PolarHBondContact O-N 3.39Å
368	G	92.3	Very high	93.3	Very high	66 Å²	66	61.6 Å²	61.6	68%	0.68	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-3.5	-179	0	0	0	0	0	116.2	E363 C366 G370	E363-G368 PolarHBondContact O-N 2.89Å; C366-G368 PolarHBondContact O-N 3.09Å; G368-G370 PolarHBondContact O-N 3.38Å
369	R	94.5	Very high	93.6	Very high	79 Å²	79	63 Å²	63	30%	0.298	34%	0.342	S	S	.	.	S	Bend	trans	-69.3	-13.3	176.9	-58.7	-169.7	-61.8	-93	-10.9	113.4	C336 D337 T347 C366 C367 K407	C336-R369 PolarHBondContact O-NH1 3.04Å; C336-R369 VanDerWaalsContact O-NH1 3.1Å; D337-R369 IonicContact OD1-CZ 3.58Å; D337-R369 IonicContact OD1-NH1 3.85Å; D337-R369 PolarHBondContact OD1-NH1 3.38Å; T347-R369 PolarHBondContact OG1-NH2 3.28Å; C366-R369 WeakPolarHBondContact O-CB 2.82Å; C366-R369 PolarHBondContact O-N 3.4Å; C367-R369 PolarHBondContact O-N 3.39Å; R369-K407 PolarHBondContact NE-O 3.37Å
370	G	94.1	Very high	93.9	Very high	26 Å²	26	62.9 Å²	62.9	27%	0.268	34%	0.34	S	S	.	.			trans	79.8	-176.6	-172.9	0	0	0	0	0	113	C366 G368 K407	C366-G370 WeakPolarHBondContact CB-O 3.45Å; G368-G370 PolarHBondContact O-N 3.38Å; G370-K407 PolarHBondContact O-N 3.25Å; G370-K407 VanDerWaalsContact O-N 3.13Å
371	H	96.1	Very high	94	Very high	58 Å²	58	70.6 Å²	70.6	27%	0.269	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.8	-176.1	55.5	-84.1	0	0	0	111.4	K354 C362 V405	K354-H371 WeakPolarHBondContact CE-NE2 3.36Å; C362-H371 WeakPolarHBondContact CB-ND1 3.35Å; H371-V405 CarbonylContact C-O 3.5Å; H371-V405 WeakPolarHBondContact CA-O 3.45Å; H371-V405 VanDerWaalsContact CB-O 3.31Å; H371-V405 WeakPolarHBondContact CB-O 3.44Å
372	N	95.6	Very high	93.9	Very high	74 Å²	74	69.9 Å²	69.9	40%	0.396	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	149.7	167.5	-64.7	-33.3	0	0	0	109.4	L374 S404 V405 K407	N372-L374 HydrophobicContact CB-CD2 4.35Å; N372-L374 HydrophobicContact CB-CG 4.37Å; N372-S404 CarbonylContact O-C 3.58Å; N372-S404 WeakPolarHBondContact O-CA 3.22Å; N372-V405 PolarHBondContact N-O 3.3Å; N372-V405 PolarHBondContact O-N 3.15Å; N372-K407 WeakPolarHBondContact OD1-CE 3.42Å
373	I	94.2	Very high	94	Very high	89 Å²	89	74.6 Å²	74.6	46%	0.456	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.3	172.5	-57.4	170.3	0	0	0	106.3	W402 V403	I373-W402 HydrophobicContact CG2-CB 4.38Å; I373-W402 HydrophobicContact CG2-CD2 4.42Å; I373-W402 HydrophobicContact CG2-CE3 3.69Å; I373-W402 HydrophobicContact CG2-CZ3 4.33Å; I373-V403 WeakPolarHBondContact CA-O 3.03Å
374	L	93.8	Very high	94.1	Very high	88 Å²	88	70.1 Å²	70.1	46%	0.461	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.2	-177.2	-57.8	179	0	0	0	109.4	N372 V403 V405	N372-L374 HydrophobicContact CB-CD2 4.35Å; N372-L374 HydrophobicContact CB-CG 4.37Å; L374-V403 HydrophobicContact CB-CG2 4.3Å; L374-V403 PolarHBondContact N-O 3.15Å; L374-V403 WeakPolarHBondContact O-CG2 3.38Å; L374-V403 PolarHBondContact O-N 3.26Å; L374-V405 HydrophobicContact CD1-CB 4.39Å; L374-V405 HydrophobicContact CD1-CG2 4.16Å
375	Q	93.8	Very high	94.2	Very high	122 Å²	122	74.8 Å²	74.8	57%	0.57	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.5	169.7	-172.9	174.1	60	0	0	108.1	T400 W402	Q375-T400 HydrophobicContact CG-CG2 3.19Å; Q375-T400 VanDerWaalsContact NE2-CG2 3.3Å; Q375-W402 HydrophobicContact CB-CD2 4.48Å; Q375-W402 HydrophobicContact CB-CE3 4.01Å; Q375-W402 HydrophobicContact CB-CH2 4.3Å; Q375-W402 HydrophobicContact CB-CZ3 3.94Å
376	Q	90.9	Very high	94.1	Very high	84 Å²	84	81.3 Å²	81.3	39%	0.393	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.4	178.7	-174.2	171.4	13.5	0	0	109.1	E401 V403	Q376-E401 PolarHBondContact N-O 2.74Å; Q376-E401 PolarHBondContact O-N 3.17Å; Q376-V403 HydrophobicContact CB-CG1 4.28Å; Q376-V403 HydrophobicContact CB-CG2 3.8Å
377	T	93.1	Very high	93.9	Very high	79 Å²	79	85 Å²	85	49%	0.485	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.6	170.3	-56.8	0	0	0	0	108.7	R398 I399 T400	T377-R398 HydrophobicContact CG2-CB 3.88Å; T377-R398 HydrophobicContact CG2-CG 4.36Å; T377-I399 CarbonylContact C-O 3.59Å; T377-I399 VanDerWaalsContact CA-O 3.3Å; T377-I399 WeakPolarHBondContact CA-O 3.46Å; T377-T400 PolarHBondContact OG1-OG1 2.81Å
378	R	91.1	Very high	93.5	Very high	104 Å²	104	94.5 Å²	94.5	39%	0.392	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148	172.5	73	-179.8	-165.5	-145.5	2.6	110	E380 I399 E401	R378-E380 IonicContact CZ-OE2 3.25Å; R378-E380 IonicContact NE-OE2 3.72Å; R378-E380 PolarHBondContact NE-OE2 2.91Å; R378-E380 IonicContact NH2-OE2 2.85Å; R378-E380 PolarHBondContact NH2-OE2 2.98Å; R378-I399 HydrophobicContact CG-CB 4.28Å; R378-I399 PolarHBondContact N-O 2.93Å; R378-I399 PolarHBondContact O-N 3.46Å; R378-E401 WeakPolarHBondContact CD-OE1 3.21Å; R378-E401 IonicContact CZ-OE1 3Å; R378-E401 IonicContact CZ-OE2 2.69Å; R378-E401 IonicContact NE-OE1 2.65Å; R378-E401 IonicContact NH1-OE1 2.73Å; R378-E401 PolarHBondContact NH1-OE1 3.45Å; R378-E401 IonicContact NH1-OE2 2.75Å; R378-E401 PolarHBondContact NH1-OE2 3.06Å
379	S	93.9	Very high	92.8	Very high	62 Å²	62	95.7 Å²	95.7	43%	0.434	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.1	172.1	-177	0	0	0	0	109.4	E396 C397	S379-E396 WeakPolarHBondContact CB-OE1 3.42Å; S379-E396 WeakPolarHBondContact OG-CG 3.5Å; S379-E396 PolarHBondContact OG-OE1 3.08Å; S379-C397 WeakPolarHBondContact CA-O 3.42Å
380	E	94.1	Very high	92.3	Very high	70 Å²	70	97.2 Å²	97.2	33%	0.327	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154	172.7	61.6	177	-128.6	0	0	111.6	R378 C382 C397 I399	R378-E380 IonicContact CZ-OE2 3.25Å; R378-E380 IonicContact NE-OE2 3.72Å; R378-E380 PolarHBondContact NE-OE2 2.91Å; R378-E380 IonicContact NH2-OE2 2.85Å; R378-E380 PolarHBondContact NH2-OE2 2.98Å; E380-C382 PolarHBondContact O-N 3.45Å; E380-C397 PolarHBondContact N-O 2.95Å; E380-C397 PolarHBondContact O-N 3.16Å; E380-I399 HydrophobicContact CG-CD1 3.81Å; E380-I399 HydrophobicContact CG-CG1 3.92Å; E380-I399 WeakPolarHBondContact OE1-CD1 3.25Å; E380-I399 WeakPolarHBondContact OE2-CD1 3.11Å
381	R	94.6	Very high	92.1	Very high	212 Å²	212	102.6 Å²	102.6	80%	0.8	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.1	174.6	-71	-173.8	177.7	-179.1	-1	109.1	C394 E395	R381-C394 HydrophobicContact CB-CB 3.76Å; R381-C394 HydrophobicContact CG-CB 4.17Å; R381-E395 WeakPolarHBondContact CA-O 3.47Å
382	C	94.6	Very high	92.1	Very high	17 Å²	17	104 Å²	104	12%	0.115	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	172.3	-177.2	65.1	0	0	0	0	110.6	E380 C384 E395 C397	E380-C382 PolarHBondContact O-N 3.45Å; C382-C384 PolarHBondContact O-N 3.33Å; C382-E395 PolarHBondContact N-O 3.43Å; C382-E395 PolarHBondContact O-N 2.96Å; C382-E395 PolarHBondContact SG-O 3.38Å; C382-C397 HydrophobicContact CB-CB 3.56Å; C382-C397 WeakPolarHBondContact CB-SG 3.32Å; C382-C397 WeakPolarHBondContact SG-CB 3.37Å; C382-C397 PolarHBondContact SG-N 2.9Å; C382-C397 VanDerWaalsContact SG-N 3.43Å; C382-C397 CovalentContact SG-SG 1.99Å; C382-C397 PolarHBondContact SG-SG 3.29Å
383	N	95.3	Very high	92	Very high	104 Å²	104	103.8 Å²	103.8	56%	0.556	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.5	35.7	174.6	-59.4	-28.2	0	0	0	113.6	K385 E395	N383-K385 PolarHBondContact O-N 3.45Å; N383-E395 HydrophobicContact CB-CB 4.46Å; N383-E395 HydrophobicContact CB-CG 4.48Å; N383-E395 PolarHBondContact ND2-OE2 2.98Å
384	C	95.5	Very high	92.2	Very high	66 Å²	66	101.5 Å²	101.5	45%	0.446	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	122.6	-174.6	-64.5	0	0	0	0	111.2	C382 V392 V393 C394	C382-C384 PolarHBondContact O-N 3.33Å; C384-V392 HydrophobicContact CB-CG1 3.79Å; C384-V393 CarbonylContact C-O 3.52Å; C384-V393 WeakPolarHBondContact CA-O 3.02Å; C384-C394 HydrophobicContact CB-CB 4.11Å; C384-C394 WeakPolarHBondContact CB-SG 3.41Å; C384-C394 WeakPolarHBondContact SG-CB 3.49Å; C384-C394 CovalentContact SG-SG 2.04Å; C384-C394 PolarHBondContact SG-SG 2.99Å
385	K	94.5	Very high	92.3	Very high	134 Å²	134	102.1 Å²	102.1	58%	0.583	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.8	175.5	-66.9	177.8	-174.7	170	0	109.6	N383 H387 V393	N383-K385 PolarHBondContact O-N 3.45Å; K385-H387 PolarHBondContact O-CD2 3.17Å; K385-V393 PolarHBondContact N-O 3.21Å; K385-V393 PolarHBondContact O-N 3.3Å
386	F	94.6	Very high	92.4	Very high	137 Å²	137	103.4 Å²	103.4	60%	0.601	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.9	171.4	178.9	-104.3	0	0	0	109.3	W388 V392	F386-W388 HydrophobicContact CE1-CB 4.2Å; F386-V392 HydrophobicContact CD2-CG2 4.02Å
387	H	91.5	Very high	92.6	Very high	79 Å²	79	101.3 Å²	101.3	37%	0.366	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.4	170.5	-69.7	-94.8	0	0	0	107.8	K385 C389 Y391	K385-H387 PolarHBondContact O-CD2 3.17Å; H387-C389 CarbonylContact O-C 3.56Å; H387-C389 PolarHBondContact O-N 2.92Å; H387-Y391 HydrophobicContact CB-CE1 4.36Å; H387-Y391 HydrophobicContact CB-CE2 4.25Å; H387-Y391 PolarHBondContact N-O 3.43Å
388	W	86.4	Confident	92.8	Very high	234 Å²	234	107.5 Å²	107.5	89%	0.886	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	112.6	178.9	-168.6	86.5	0	0	0	108.9	F386	F386-W388 HydrophobicContact CE1-CB 4.2Å
389	C	76.3	Confident	92.9	Very high	92 Å²	92	105.3 Å²	105.3	62%	0.622	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	89.1	-168	-162.9	0	0	0	0	115.3	H387	H387-C389 CarbonylContact O-C 3.56Å; H387-C389 PolarHBondContact O-N 2.92Å
390	C	84.9	Confident	92.9	Very high	111 Å²	111	105.7 Å²	105.7	75%	0.75	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	cis	-148.9	25.6	0.5	-72.2	0	0	0	0	110.8
391	Y	90.1	Very high	92.8	Very high	138 Å²	138	105.4 Å²	105.4	54%	0.541	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.8	-170.3	62	-85.1	0	0	0	112.2	H387 V393	H387-Y391 HydrophobicContact CB-CE1 4.36Å; H387-Y391 HydrophobicContact CB-CE2 4.25Å; H387-Y391 PolarHBondContact N-O 3.43Å; Y391-V393 HydrophobicContact CD2-CG2 3.48Å; Y391-V393 VanDerWaalsContact CD2-CG2 3.48Å; Y391-V393 HydrophobicContact CE2-CG2 3.32Å
392	V	94.8	Very high	92.7	Very high	87 Å²	87	103.9 Å²	103.9	53%	0.527	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.8	174.5	-179.2	0	0	0	0	107.2	C384 F386	C384-V392 HydrophobicContact CB-CG1 3.79Å; F386-V392 HydrophobicContact CD2-CG2 4.02Å
393	V	95.3	Very high	92.7	Very high	71 Å²	71	103.8 Å²	103.8	43%	0.43	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.8	170.9	-176.1	0	0	0	0	107.5	C384 K385 Y391	C384-V393 CarbonylContact C-O 3.52Å; C384-V393 WeakPolarHBondContact CA-O 3.02Å; K385-V393 PolarHBondContact N-O 3.21Å; K385-V393 PolarHBondContact O-N 3.3Å; Y391-V393 HydrophobicContact CD2-CG2 3.48Å; Y391-V393 VanDerWaalsContact CD2-CG2 3.48Å; Y391-V393 HydrophobicContact CE2-CG2 3.32Å
394	C	96.6	Very high	92.7	Very high	40 Å²	40	99.5 Å²	99.5	27%	0.27	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.8	173.6	-56.5	0	0	0	0	109.3	R381 C384	R381-C394 HydrophobicContact CB-CB 3.76Å; R381-C394 HydrophobicContact CG-CB 4.17Å; C384-C394 HydrophobicContact CB-CB 4.11Å; C384-C394 WeakPolarHBondContact CB-SG 3.41Å; C384-C394 WeakPolarHBondContact SG-CB 3.49Å; C384-C394 CovalentContact SG-SG 2.04Å; C384-C394 PolarHBondContact SG-SG 2.99Å
395	E	96.8	Very high	92.7	Very high	101 Å²	101	97.3 Å²	97.3	47%	0.472	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.9	166.6	-67.3	166.9	-171.8	0	0	109.3	R381 C382 N383	R381-E395 WeakPolarHBondContact CA-O 3.47Å; C382-E395 PolarHBondContact N-O 3.43Å; C382-E395 PolarHBondContact O-N 2.96Å; C382-E395 PolarHBondContact SG-O 3.38Å; N383-E395 HydrophobicContact CB-CB 4.46Å; N383-E395 HydrophobicContact CB-CG 4.48Å; N383-E395 PolarHBondContact ND2-OE2 2.98Å
396	E	96.3	Very high	92.8	Very high	150 Å²	150	91.1 Å²	91.1	70%	0.701	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.2	173.4	-168.5	177.6	170.5	0	0	109.2	S379	S379-E396 WeakPolarHBondContact CB-OE1 3.42Å; S379-E396 WeakPolarHBondContact OG-CG 3.5Å; S379-E396 PolarHBondContact OG-OE1 3.08Å
397	C	95.6	Very high	92.8	Very high	39 Å²	39	90 Å²	90	26%	0.264	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.1	176.2	-76.6	0	0	0	0	110.8	S379 E380 C382	S379-C397 WeakPolarHBondContact CA-O 3.42Å; E380-C397 PolarHBondContact N-O 2.95Å; E380-C397 PolarHBondContact O-N 3.16Å; C382-C397 HydrophobicContact CB-CB 3.56Å; C382-C397 WeakPolarHBondContact CB-SG 3.32Å; C382-C397 WeakPolarHBondContact SG-CB 3.37Å; C382-C397 PolarHBondContact SG-N 2.9Å; C382-C397 VanDerWaalsContact SG-N 3.43Å; C382-C397 CovalentContact SG-SG 1.99Å; C382-C397 PolarHBondContact SG-SG 3.29Å
398	R	95.6	Very high	92.8	Very high	210 Å²	210	90.6 Å²	90.6	79%	0.792	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.5	168.1	-68.2	-177.6	179.7	171	0.6	109.3	T377	T377-R398 HydrophobicContact CG2-CB 3.88Å; T377-R398 HydrophobicContact CG2-CG 4.36Å
399	I	93.8	Very high	93.2	Very high	57 Å²	57	83 Å²	83	29%	0.292	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.9	172.5	-61.6	-159.6	0	0	0	108.6	T377 R378 E380	T377-I399 CarbonylContact C-O 3.59Å; T377-I399 VanDerWaalsContact CA-O 3.3Å; T377-I399 WeakPolarHBondContact CA-O 3.46Å; R378-I399 HydrophobicContact CG-CB 4.28Å; R378-I399 PolarHBondContact N-O 2.93Å; R378-I399 PolarHBondContact O-N 3.46Å; E380-I399 HydrophobicContact CG-CD1 3.81Å; E380-I399 HydrophobicContact CG-CG1 3.92Å; E380-I399 WeakPolarHBondContact OE1-CD1 3.25Å; E380-I399 WeakPolarHBondContact OE2-CD1 3.11Å
400	T	93.5	Very high	94.1	Very high	71 Å²	71	82.5 Å²	82.5	44%	0.436	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116	175.7	-60.2	0	0	0	0	108.8	Q375 T377	Q375-T400 HydrophobicContact CG-CG2 3.19Å; Q375-T400 VanDerWaalsContact NE2-CG2 3.3Å; T377-T400 PolarHBondContact OG1-OG1 2.81Å
401	E	92.4	Very high	94.6	Very high	64 Å²	64	80.8 Å²	80.8	30%	0.299	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.3	-178.3	62.1	-176.8	170.4	0	0	111.6	Q376 R378 V403	Q376-E401 PolarHBondContact N-O 2.74Å; Q376-E401 PolarHBondContact O-N 3.17Å; R378-E401 WeakPolarHBondContact CD-OE1 3.21Å; R378-E401 IonicContact CZ-OE1 3Å; R378-E401 IonicContact CZ-OE2 2.69Å; R378-E401 IonicContact NE-OE1 2.65Å; R378-E401 IonicContact NH1-OE1 2.73Å; R378-E401 PolarHBondContact NH1-OE1 3.45Å; R378-E401 IonicContact NH1-OE2 2.75Å; R378-E401 PolarHBondContact NH1-OE2 3.06Å; E401-V403 HydrophobicContact CG-CG1 4.03Å
402	W	92.5	Very high	94.9	Very high	180 Å²	180	77.3 Å²	77.3	68%	0.682	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.7	172.9	-69.5	102.5	0	0	0	109.3	I373 Q375	I373-W402 HydrophobicContact CG2-CB 4.38Å; I373-W402 HydrophobicContact CG2-CD2 4.42Å; I373-W402 HydrophobicContact CG2-CE3 3.69Å; I373-W402 HydrophobicContact CG2-CZ3 4.33Å; Q375-W402 HydrophobicContact CB-CD2 4.48Å; Q375-W402 HydrophobicContact CB-CE3 4.01Å; Q375-W402 HydrophobicContact CB-CH2 4.3Å; Q375-W402 HydrophobicContact CB-CZ3 3.94Å
403	V	94.3	Very high	94.9	Very high	14 Å²	14	76.6 Å²	76.6	9%	0.085	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.8	178.6	-64.7	0	0	0	0	110.7	I351 I373 L374 Q376 E401 V405	I351-V403 HydrophobicContact CG2-CB 4.46Å; I373-V403 WeakPolarHBondContact CA-O 3.03Å; L374-V403 HydrophobicContact CB-CG2 4.3Å; L374-V403 PolarHBondContact N-O 3.15Å; L374-V403 WeakPolarHBondContact O-CG2 3.38Å; L374-V403 PolarHBondContact O-N 3.26Å; Q376-V403 HydrophobicContact CB-CG1 4.28Å; Q376-V403 HydrophobicContact CB-CG2 3.8Å; E401-V403 HydrophobicContact CG-CG1 4.03Å; V403-V405 HydrophobicContact CG2-CG2 3.95Å
404	S	95.5	Very high	94.9	Very high	15 Å²	15	77 Å²	77	11%	0.105	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.8	172	-58	0	0	0	0	109	I351 C352 K354 N372	I351-S404 CarbonylContact C-O 3.52Å; I351-S404 WeakPolarHBondContact CA-O 3.06Å; C352-S404 PolarHBondContact N-O 3.18Å; K354-S404 WeakPolarHBondContact CE-OG 3.48Å; N372-S404 CarbonylContact O-C 3.58Å; N372-S404 WeakPolarHBondContact O-CA 3.22Å
405	V	95.6	Very high	94.8	Very high	20 Å²	20	79.8 Å²	79.8	12%	0.121	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.9	-172.7	-176.9	0	0	0	0	109.7	G349 R350 I351 H371 N372 L374 V403	G349-V405 VanDerWaalsContact C-CG1 3.44Å; G349-V405 WeakPolarHBondContact O-CG1 3.27Å; R350-V405 CarbonylContact O-C 3.57Å; R350-V405 WeakPolarHBondContact O-CA 3.5Å; I351-V405 HydrophobicContact CG1-CG2 4.43Å; H371-V405 CarbonylContact C-O 3.5Å; H371-V405 WeakPolarHBondContact CA-O 3.45Å; H371-V405 VanDerWaalsContact CB-O 3.31Å; H371-V405 WeakPolarHBondContact CB-O 3.44Å; N372-V405 PolarHBondContact N-O 3.3Å; N372-V405 PolarHBondContact O-N 3.15Å; L374-V405 HydrophobicContact CD1-CB 4.39Å; L374-V405 HydrophobicContact CD1-CG2 4.16Å; V403-V405 HydrophobicContact CG2-CG2 3.95Å
406	C	95.9	Very high	94.6	Very high	3 Å²	3	78.1 Å²	78.1	2%	0.02	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	137.3	179.9	-64.1	0	0	0	0	112.3	T347 G349 R350 C366	T347-C406 WeakPolarHBondContact O-CB 3.29Å; G349-C406 PolarHBondContact N-O 3.43Å; R350-C406 PolarHBondContact O-N 3.2Å; C366-C406 WeakPolarHBondContact CA-SG 3.05Å; C366-C406 HydrophobicContact CB-CB 3.61Å; C366-C406 WeakPolarHBondContact CB-SG 3.37Å; C366-C406 WeakPolarHBondContact SG-CA 3.3Å; C366-C406 WeakPolarHBondContact SG-CB 3.47Å; C366-C406 CovalentContact SG-SG 2.04Å; C366-C406 PolarHBondContact SG-SG 2.63Å
407	K	94.6	Very high	94.5	Very high	114 Å²	114	71.5 Å²	71.5	50%	0.496	33%	0.327	S	S	.	.			trans	-68.7	0	177.9	-70.5	-174.7	-175.5	175.7	0	113.4	Q348 R369 G370 N372	Q348-K407 VanDerWaalsContact CG-OXT 3.3Å; Q348-K407 WeakPolarHBondContact CG-OXT 3.48Å; Q348-K407 PolarHBondContact NE2-OXT 2.95Å; R369-K407 PolarHBondContact NE-O 3.37Å; G370-K407 PolarHBondContact O-N 3.25Å; G370-K407 VanDerWaalsContact O-N 3.13Å; N372-K407 WeakPolarHBondContact OD1-CE 3.42Å

Retrieved 407 of 407 residues in 381.7 ms (Link to these results)

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