A0A5K4FA93_SCHMA Loading...

Beta-1,4-galactosyltransferase

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A5K4FA93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	36.9	Very low	242 Å²	242	154.3 Å²	154.3	100%	1.192	81%	0.814	S	S	*	*				0	83.6	0	-71.8	177.4	164.7	0	0	107.6
2	I	39.9	Very low	36.8	Very low	173 Å²	173	154.3 Å²	154.3	89%	0.887	81%	0.812	S	S	*	*			trans	-109.6	120.7	-179.1	-62.8	174.6	0	0	0	106.6
3	T	39.4	Very low	36.5	Very low	120 Å²	120	159.4 Å²	159.4	74%	0.736	81%	0.814	S	S	*	*			trans	-66.5	133.3	-167.1	39.7	0	0	0	0	113.2	L5	T3-L5 PolarHBondContact O-N 3.39Å
4	S	36.1	Very low	36.4	Very low	122 Å²	122	156.2 Å²	156.2	85%	0.853	81%	0.809	S	S	*	*			trans	-55.6	120.3	166.8	-54.8	0	0	0	0	111.4
5	L	40.5	Very low	36.3	Very low	150 Å²	150	154.7 Å²	154.7	79%	0.785	81%	0.809	S	S	*	*			trans	-109.4	125.5	166	-90.8	149.6	0	0	0	108.9	T3 F7	T3-L5 PolarHBondContact O-N 3.39Å; L5-F7 PolarHBondContact O-N 3.43Å
6	L	35.4	Very low	36.4	Very low	144 Å²	144	152.7 Å²	152.7	75%	0.754	81%	0.805	S	S	*	*			trans	-52	121.5	-178.4	-79.5	70.6	0	0	0	112.2	I8	L6-I8 HydrophobicContact CB-CG1 4.38Å; L6-I8 HydrophobicContact CD2-CD1 4.42Å; L6-I8 HydrophobicContact CD2-CG1 4.38Å
7	F	35.4	Very low	36.6	Very low	193 Å²	193	150.4 Å²	150.4	85%	0.846	79%	0.794	S	S	*	*			trans	-94	98.9	155.8	-84.7	-87.3	0	0	0	108.8	L5 N9	L5-F7 PolarHBondContact O-N 3.43Å; F7-N9 PolarHBondContact O-N 2.92Å; F7-N9 VanDerWaalsContact O-N 3.14Å
8	I	35.1	Very low	36.9	Very low	127 Å²	127	147.4 Å²	147.4	65%	0.651	78%	0.777	S	S	*	*			trans	-75.2	92.2	170.6	-63	169.2	0	0	0	107	L6 L10	L6-I8 HydrophobicContact CB-CG1 4.38Å; L6-I8 HydrophobicContact CD2-CD1 4.42Å; L6-I8 HydrophobicContact CD2-CG1 4.38Å; I8-L10 HydrophobicContact CG2-CD1 4.39Å; I8-L10 HydrophobicContact CG2-CG 4.16Å; I8-L10 PolarHBondContact O-N 3.14Å; I8-L10 VanDerWaalsContact O-N 3.13Å
9	N	33.8	Very low	37.1	Very low	136 Å²	136	144.6 Å²	144.6	73%	0.727	77%	0.767	S	S	*	*			trans	-78	92.9	167.4	-85.6	-26.8	0	0	0	108.9	F7 L11	F7-N9 PolarHBondContact O-N 2.92Å; F7-N9 VanDerWaalsContact O-N 3.14Å; N9-L11 PolarHBondContact O-N 3.37Å
10	L	33.9	Very low	37.2	Very low	148 Å²	148	144.1 Å²	144.1	78%	0.775	76%	0.763	S	S	*	*			trans	-62.4	83.7	162.1	-80.7	145.9	0	0	0	108.8	I8 I12	I8-L10 HydrophobicContact CG2-CD1 4.39Å; I8-L10 HydrophobicContact CG2-CG 4.16Å; I8-L10 PolarHBondContact O-N 3.14Å; I8-L10 VanDerWaalsContact O-N 3.13Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 2.73Å
11	L	34.1	Very low	37.4	Very low	142 Å²	142	142.4 Å²	142.4	74%	0.743	75%	0.754	S	S	*	*			trans	-71.8	96.5	164.9	-82.7	155.3	0	0	0	107.5	N9 W13	N9-L11 PolarHBondContact O-N 3.37Å; L11-W13 VanDerWaalsContact O-CD1 3.26Å; L11-W13 PolarHBondContact O-N 3.24Å; L11-W13 VanDerWaalsContact O-N 3.14Å
12	I	35.3	Very low	37.2	Very low	155 Å²	155	139 Å²	139	80%	0.795	73%	0.733	S	S	*	*			trans	-62.6	106.9	168.2	-61.4	166.4	0	0	0	106.4	L10	L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 2.73Å
13	W	33	Very low	37.4	Very low	220 Å²	220	133.9 Å²	133.9	83%	0.833	71%	0.712	S	S	*	*			trans	-72.2	131.5	172.9	-75	29.6	0	0	0	108.1	L11 T15	L11-W13 VanDerWaalsContact O-CD1 3.26Å; L11-W13 PolarHBondContact O-N 3.24Å; L11-W13 VanDerWaalsContact O-N 3.14Å; W13-T15 PolarHBondContact O-N 3.33Å; W13-T15 VanDerWaalsContact O-N 3.12Å
14	P	34.8	Very low	37.3	Very low	115 Å²	115	132 Å²	132	75%	0.747	71%	0.709	S	S	*	*			trans	-65	118.2	177.9	26	-30.6	0	0	0	108.4	V16	P14-V16 PolarHBondContact O-N 3.15Å
15	T	35.1	Very low	37.4	Very low	133 Å²	133	131.5 Å²	131.5	82%	0.816	70%	0.695	S	S	*	*			trans	-61.1	101.7	167.4	47.9	0	0	0	0	107.5	W13 D17	W13-T15 PolarHBondContact O-N 3.33Å; W13-T15 VanDerWaalsContact O-N 3.12Å; T15-D17 PolarHBondContact O-N 2.9Å; T15-D17 VanDerWaalsContact O-N 3.07Å
16	V	38.7	Very low	37.2	Very low	123 Å²	123	131.5 Å²	131.5	75%	0.745	70%	0.695	S	S	*	*			trans	-65	110.2	170.6	177.9	0	0	0	0	106.8	P14 I18	P14-V16 PolarHBondContact O-N 3.15Å; V16-I18 PolarHBondContact O-N 2.87Å; V16-I18 VanDerWaalsContact O-N 3.13Å
17	D	39.8	Very low	37	Very low	113 Å²	113	129.7 Å²	129.7	60%	0.604	69%	0.69	S	S	*	*			trans	-72	99.8	-178.8	-171.4	-8.5	0	0	0	110.1	T15 T19	T15-D17 PolarHBondContact O-N 2.9Å; T15-D17 VanDerWaalsContact O-N 3.07Å; D17-T19 PolarHBondContact O-N 3.48Å; D17-T19 WeakPolarHBondContact OD1-CB 3.46Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.33Å; D17-T19 PolarHBondContact OD1-N 3.14Å; D17-T19 VanDerWaalsContact OD1-N 3.16Å; D17-T19 PolarHBondContact OD1-OG1 3.28Å; D17-T19 PolarHBondContact OD2-OG1 3.27Å
18	I	42.4	Very low	37.1	Very low	98 Å²	98	132.2 Å²	132.2	50%	0.503	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-2.9	-176.2	-64.4	166.5	0	0	0	111.9	V16 L20 I21	V16-I18 PolarHBondContact O-N 2.87Å; V16-I18 VanDerWaalsContact O-N 3.13Å; I18-L20 PolarHBondContact O-N 2.77Å; I18-L20 VanDerWaalsContact O-N 3.11Å; I18-I21 HydrophobicContact CG2-CB 4.38Å; I18-I21 HydrophobicContact CG2-CD1 4.3Å; I18-I21 PolarHBondContact O-N 2.98Å
19	T	40.1	Very low	36.9	Very low	94 Å²	94	135.6 Å²	135.6	58%	0.577	70%	0.704	S	S	*	*	H	α-helix	trans	-58	-26.9	174.2	55.3	0	0	0	0	112.5	D17 I21 K22 S23	D17-T19 PolarHBondContact O-N 3.48Å; D17-T19 WeakPolarHBondContact OD1-CB 3.46Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.33Å; D17-T19 PolarHBondContact OD1-N 3.14Å; D17-T19 VanDerWaalsContact OD1-N 3.16Å; D17-T19 PolarHBondContact OD1-OG1 3.28Å; D17-T19 PolarHBondContact OD2-OG1 3.27Å; T19-I21 VanDerWaalsContact C-N 3.32Å; T19-I21 PolarHBondContact O-N 2.72Å; T19-K22 PolarHBondContact O-N 2.85Å; T19-S23 PolarHBondContact O-N 3.27Å
20	L	39.8	Very low	36.8	Very low	133 Å²	133	135.1 Å²	135.1	70%	0.696	71%	0.706	S	S	*	*	H	α-helix	trans	-66.1	-27.7	176.2	-127.4	88.9	0	0	0	114.2	I18 S23 A24	I18-L20 PolarHBondContact O-N 2.77Å; I18-L20 VanDerWaalsContact O-N 3.11Å; L20-S23 PolarHBondContact O-OG 2.74Å; L20-A24 PolarHBondContact O-N 2.93Å
21	I	40.9	Very low	36.7	Very low	110 Å²	110	137.8 Å²	137.8	56%	0.564	71%	0.711	S	S	*	*	H	α-helix	trans	-75.5	-28.8	-178.3	-59.5	-178	0	0	0	110.9	I18 T19 I25	I18-I21 HydrophobicContact CG2-CB 4.38Å; I18-I21 HydrophobicContact CG2-CD1 4.3Å; I18-I21 PolarHBondContact O-N 2.98Å; T19-I21 VanDerWaalsContact C-N 3.32Å; T19-I21 PolarHBondContact O-N 2.72Å; I21-I25 HydrophobicContact CG2-CD1 4.44Å
22	K	38.3	Very low	36.6	Very low	171 Å²	171	139.4 Å²	139.4	74%	0.743	72%	0.72	S	S	*	*	H	α-helix	trans	-77.1	-37	176.5	-77.1	-171.4	175.7	-177.6	0	113	T19 I25 L26	T19-K22 PolarHBondContact O-N 2.85Å; K22-I25 PolarHBondContact O-N 3.13Å; K22-L26 PolarHBondContact O-N 2.97Å
23	S	43.3	Very low	36.3	Very low	65 Å²	65	141.4 Å²	141.4	46%	0.455	73%	0.726	S	S	.	*	H	α-helix	trans	-70.1	-38	-177.4	66.4	0	0	0	0	112.1	T19 L20 I25 L26 T27	T19-S23 PolarHBondContact O-N 3.27Å; L20-S23 PolarHBondContact O-OG 2.74Å; S23-I25 PolarHBondContact O-N 3.41Å; S23-L26 PolarHBondContact O-N 3.46Å; S23-T27 PolarHBondContact O-OG1 2.9Å
24	A	36.6	Very low	36.3	Very low	81 Å²	81	140.4 Å²	140.4	67%	0.669	73%	0.73	S	S	*	*	H	α-helix	trans	-65	-23.7	178.4	0	0	0	0	0	113.9	L20	L20-A24 PolarHBondContact O-N 2.93Å
25	I	39.9	Very low	36	Very low	111 Å²	111	140.6 Å²	140.6	57%	0.569	74%	0.735	S	S	*	*	H	α-helix	trans	-89	-24.2	-179.7	-62.7	174.8	0	0	0	111.6	I21 K22 S23	I21-I25 HydrophobicContact CG2-CD1 4.44Å; K22-I25 PolarHBondContact O-N 3.13Å; S23-I25 PolarHBondContact O-N 3.41Å
26	L	34.7	Very low	35.6	Very low	149 Å²	149	137.7 Å²	137.7	78%	0.78	73%	0.731	S	S	*	*	H	α-helix	trans	-88.6	-16.1	-174.3	-146.2	73.4	0	0	0	114.6	K22 S23 R28	K22-L26 PolarHBondContact O-N 2.97Å; S23-L26 PolarHBondContact O-N 3.46Å; L26-R28 PolarHBondContact O-N 3.13Å
27	T	33	Very low	35.2	Very low	106 Å²	106	139.1 Å²	139.1	65%	0.65	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	16.3	-169.6	-19.8	0	0	0	0	116.2	S23	S23-T27 PolarHBondContact O-OG1 2.9Å
28	R	35.9	Very low	34.7	Very low	246 Å²	246	141.3 Å²	141.3	93%	0.928	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	11.4	178.2	-85.6	-173.1	176.9	-171.5	-0.6	116.3	L26	L26-R28 PolarHBondContact O-N 3.13Å
29	K	31.6	Very low	34.2	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	76%	0.758	S	S	*	*			trans	-107.8	66.7	173	-85.4	-172	174.3	178.5	0	113
30	T	32.3	Very low	33.9	Very low	125 Å²	125	146.5 Å²	146.5	77%	0.767	77%	0.772	S	S	*	*			trans	-154.7	85.4	165.7	34.7	0	0	0	0	111.7
31	K	31.5	Very low	33.8	Very low	204 Å²	204	145.1 Å²	145.1	89%	0.887	77%	0.768	S	S	*	*			trans	-167.1	91.7	152.9	-108.7	-172.1	-178.6	-169.2	0	106.7
32	L	32.6	Very low	33.9	Very low	176 Å²	176	145.7 Å²	145.7	92%	0.921	78%	0.782	S	S	*	*			trans	-171.5	63.4	168	-102.7	163.4	0	0	0	109.3
33	Q	28.5	Very low	34.4	Very low	197 Å²	197	144.9 Å²	144.9	92%	0.921	78%	0.781	S	S	*	*			trans	-148.1	65.7	157.9	-79.4	-165.3	-31.3	0	0	108.1
34	E	32.5	Very low	34.9	Very low	199 Å²	199	146.4 Å²	146.4	93%	0.93	80%	0.797	S	S	*	*			trans	-101.9	99.8	154.5	-81.2	179.7	178.6	0	0	106.3
35	S	28.5	Very low	35.8	Very low	120 Å²	120	149.9 Å²	149.9	84%	0.839	80%	0.797	S	S	*	*			trans	-73.5	129.7	170	62.8	0	0	0	0	109.3
36	G	27.3	Very low	37	Very low	71 Å²	71	148 Å²	148	73%	0.732	79%	0.789	S	S	*	*			trans	83.7	96.6	144.8	0	0	0	0	0	116.3
37	N	30.6	Very low	39.2	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	77%	0.774	S	S	*	*				-154.9	112.8	116.1	-126.4	-9	0	0	0	110.3	Q39	N37-Q39 PolarHBondContact O-N 2.82Å
38	N	28	Very low	41.6	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	75%	0.746	S	S	*	*			trans	-66.5	97.2	170.4	-83.9	-20	0	0	0	108.8
39	Q	33.5	Very low	43.8	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	72%	0.724	S	S	*	*			trans	-118.2	95.6	155.3	-76.8	-170.8	-13.2	0	0	107.3	N37 T41	N37-Q39 PolarHBondContact O-N 2.82Å; Q39-T41 PolarHBondContact O-N 3.25Å
40	T	33.2	Very low	46.4	Very low	140 Å²	140	127.4 Å²	127.4	86%	0.859	70%	0.703	S	S	*	*			trans	-64.1	77.8	168.1	40	0	0	0	0	109.3
41	T	37.9	Very low	49.1	Very low	103 Å²	103	124.5 Å²	124.5	63%	0.632	68%	0.681	S	S	*	*			trans	-69.4	124.8	154.5	42.6	0	0	0	0	106.2	Q39 E43	Q39-T41 PolarHBondContact O-N 3.25Å; T41-E43 PolarHBondContact O-N 3.27Å
42	S	42.4	Very low	51.8	Low	122 Å²	122	114.8 Å²	114.8	85%	0.853	64%	0.638	S	S	*	*			trans	-66.6	78.7	170.2	63.1	0	0	0	0	107.9	A44	S42-A44 PolarHBondContact O-N 3.4Å
43	E	49.7	Very low	54.6	Low	155 Å²	155	110.5 Å²	110.5	72%	0.724	61%	0.613	S	S	*	*			trans	-56.7	114.8	170.6	-75.3	-176.4	159.4	0	0	106.4	T41 K45	T41-E43 PolarHBondContact O-N 3.27Å; E43-K45 PolarHBondContact O-N 2.86Å
44	A	52.7	Low	57.5	Low	96 Å²	96	103.6 Å²	103.6	79%	0.793	58%	0.583	S	S	*	*			trans	-48.3	117.1	175.1	0	0	0	0	0	107.5	S42 L46	S42-A44 PolarHBondContact O-N 3.4Å; A44-L46 PolarHBondContact O-N 3.3Å
45	K	56.6	Low	60.1	Low	154 Å²	154	97.7 Å²	97.7	67%	0.67	56%	0.555	S	S	*	*			trans	-59	108.6	-175.9	-158.1	178.2	-177.4	-172.4	0	107.1	E43 D47 N388 Y389	E43-K45 PolarHBondContact O-N 2.86Å; K45-D47 PolarHBondContact O-N 3.3Å; K45-N388 WeakPolarHBondContact CE-O 3.44Å; K45-Y389 PolarHBondContact NZ-OXT 2.73Å
46	L	64	Low	62.9	Low	73 Å²	73	92.4 Å²	92.4	38%	0.382	52%	0.517	S	S	.	.			trans	-62.5	120.2	-176.2	-175.4	65.7	0	0	0	108.9	A44 C48 E51 C387	A44-L46 PolarHBondContact O-N 3.3Å; L46-C48 PolarHBondContact O-N 3Å; L46-C48 VanDerWaalsContact O-N 3.11Å; L46-E51 HydrophobicContact CD1-CG 3.68Å; L46-E51 HydrophobicContact CD2-CG 4.42Å; L46-E51 HydrophobicContact CG-CG 4.02Å; L46-C387 HydrophobicContact CB-CB 4.23Å; L46-C387 WeakPolarHBondContact O-CB 3.19Å; L46-C387 PolarHBondContact O-SG 2.84Å; L46-C387 VanDerWaalsContact O-SG 3.39Å
47	D	81.8	Confident	65.8	Low	88 Å²	88	94.4 Å²	94.4	47%	0.471	50%	0.503	S	S	.	.			trans	-78.4	96.3	175.1	-177.1	-12.6	0	0	0	109.7	K45 L49 L50 E51	K45-D47 PolarHBondContact O-N 3.3Å; D47-L49 VanDerWaalsContact C-N 3.27Å; D47-L49 PolarHBondContact O-N 3.37Å; D47-L49 PolarHBondContact OD1-N 2.95Å; D47-L50 HydrophobicContact CB-CB 3.81Å; D47-L50 WeakPolarHBondContact O-CB 3.4Å; D47-L50 PolarHBondContact O-N 2.98Å; D47-L50 VanDerWaalsContact O-N 3.16Å; D47-L50 PolarHBondContact OD1-N 3.36Å; D47-L50 VanDerWaalsContact OD1-N 3.1Å; D47-E51 PolarHBondContact O-N 2.8Å
48	C	82.3	Confident	68.4	Low	11 Å²	11	91.5 Å²	91.5	7%	0.074	49%	0.487	C	S	.	.	H	α-helix	trans	-55.4	-36.6	178.8	-98.3	0	0	0	0	114.1	L46 L52 I338 F384 C387	L46-C48 PolarHBondContact O-N 3Å; L46-C48 VanDerWaalsContact O-N 3.11Å; C48-L52 WeakPolarHBondContact O-CB 3.17Å; C48-L52 PolarHBondContact O-N 2.97Å; C48-I338 HydrophobicContact CB-CD1 4.37Å; C48-F384 WeakPolarHBondContact O-CB 3.49Å; C48-F384 VanDerWaalsContact SG-C 3.52Å; C48-F384 PolarHBondContact SG-O 3.45Å; C48-C387 WeakPolarHBondContact CA-SG 3.37Å; C48-C387 HydrophobicContact CB-CB 4.01Å; C48-C387 WeakPolarHBondContact CB-SG 3.48Å; C48-C387 PolarHBondContact N-SG 3.05Å; C48-C387 WeakPolarHBondContact SG-CB 3.24Å; C48-C387 CovalentContact SG-SG 2.01Å; C48-C387 PolarHBondContact SG-SG 3.28Å
49	L	83.1	Confident	70.9	Confident	88 Å²	88	85.1 Å²	85.1	46%	0.461	45%	0.453	S	S	.	.	H	α-helix	trans	-76.1	-33	-179.7	-70.1	177.5	0	0	0	111.1	D47 L52 Q53	D47-L49 VanDerWaalsContact C-N 3.27Å; D47-L49 PolarHBondContact O-N 3.37Å; D47-L49 PolarHBondContact OD1-N 2.95Å; L49-L52 HydrophobicContact CD2-CD2 4.39Å; L49-Q53 VanDerWaalsContact O-CB 3.27Å; L49-Q53 WeakPolarHBondContact O-CB 3.49Å; L49-Q53 PolarHBondContact O-N 3.46Å
50	L	86.6	Confident	73	Confident	79 Å²	79	81.8 Å²	81.8	41%	0.414	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-45	171.4	-178.7	61.3	0	0	0	111.6	D47 Q53 N54	D47-L50 HydrophobicContact CB-CB 3.81Å; D47-L50 WeakPolarHBondContact O-CB 3.4Å; D47-L50 PolarHBondContact O-N 2.98Å; D47-L50 VanDerWaalsContact O-N 3.16Å; D47-L50 PolarHBondContact OD1-N 3.36Å; D47-L50 VanDerWaalsContact OD1-N 3.1Å; L50-Q53 CarbonylContact O-C 3.59Å; L50-Q53 WeakPolarHBondContact O-CB 3.43Å; L50-Q53 PolarHBondContact O-N 3.41Å; L50-Q53 VanDerWaalsContact O-N 3.15Å; L50-N54 PolarHBondContact O-N 2.94Å; L50-N54 PolarHBondContact O-ND2 3.36Å
51	E	87.2	Confident	74.9	Confident	65 Å²	65	81.9 Å²	81.9	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-44.5	175.3	-75.4	-60	159.3	0	0	111.7	L46 D47 Q53 N54 E55 F384	L46-E51 HydrophobicContact CD1-CG 3.68Å; L46-E51 HydrophobicContact CD2-CG 4.42Å; L46-E51 HydrophobicContact CG-CG 4.02Å; D47-E51 PolarHBondContact O-N 2.8Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.09Å; E51-N54 WeakPolarHBondContact O-CB 3.37Å; E51-N54 PolarHBondContact O-N 3.25Å; E51-E55 PolarHBondContact O-N 3.41Å; E51-F384 HydrophobicContact CB-CB 3.89Å
52	L	90	Very high	76.4	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-58.9	-44.1	172.1	175.1	59.5	0	0	0	111	C48 L49 N54 E55 L56 I338 K341 L342 F384	C48-L52 WeakPolarHBondContact O-CB 3.17Å; C48-L52 PolarHBondContact O-N 2.97Å; L49-L52 HydrophobicContact CD2-CD2 4.39Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 2.97Å; L52-E55 PolarHBondContact O-N 2.93Å; L52-L56 HydrophobicContact CD1-CD1 4.23Å; L52-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.07Å; L52-L56 HydrophobicContact CG-CD1 4.12Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.37Å; L52-I338 HydrophobicContact CD2-CB 4.34Å; L52-I338 HydrophobicContact CD2-CG1 4.35Å; L52-I338 HydrophobicContact CD2-CG2 4.02Å; L52-K341 HydrophobicContact CD2-CB 3.67Å; L52-K341 HydrophobicContact CD2-CG 3.52Å; L52-K341 HydrophobicContact CG-CG 4.25Å; L52-L342 HydrophobicContact CD1-CD2 3.7Å; L52-L342 HydrophobicContact CD1-CG 4.23Å; L52-F384 HydrophobicContact CB-CB 4.14Å; L52-F384 HydrophobicContact CB-CD1 4.33Å; L52-F384 HydrophobicContact CB-CD2 4.31Å; L52-F384 HydrophobicContact CB-CG 4.03Å; L52-F384 HydrophobicContact CD1-CD1 4.37Å; L52-F384 HydrophobicContact CD1-CD2 4.09Å; L52-F384 HydrophobicContact CD1-CE1 4.12Å; L52-F384 HydrophobicContact CD1-CE2 3.78Å; L52-F384 HydrophobicContact CD1-CG 4.36Å; L52-F384 HydrophobicContact CD1-CZ 3.81Å
53	Q	89.5	Confident	77.2	Confident	85 Å²	85	83.1 Å²	83.1	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-62.9	-35.8	177.4	-173.2	175.7	-9.9	0	0	112.3	L49 L50 E51 R57	L49-Q53 VanDerWaalsContact O-CB 3.27Å; L49-Q53 WeakPolarHBondContact O-CB 3.49Å; L49-Q53 PolarHBondContact O-N 3.46Å; L50-Q53 CarbonylContact O-C 3.59Å; L50-Q53 WeakPolarHBondContact O-CB 3.43Å; L50-Q53 PolarHBondContact O-N 3.41Å; L50-Q53 VanDerWaalsContact O-N 3.15Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.09Å; Q53-R57 WeakPolarHBondContact O-CG 3.18Å; Q53-R57 PolarHBondContact O-N 2.78Å
54	N	89.4	Confident	77.5	Confident	53 Å²	53	79.3 Å²	79.3	28%	0.283	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-47.3	173.2	-70.8	-25.3	0	0	0	111.7	L50 E51 L52 L56 R57 N58	L50-N54 PolarHBondContact O-N 2.94Å; L50-N54 PolarHBondContact O-ND2 3.36Å; E51-N54 WeakPolarHBondContact O-CB 3.37Å; E51-N54 PolarHBondContact O-N 3.25Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 2.97Å; N54-L56 VanDerWaalsContact C-N 3.31Å; N54-L56 PolarHBondContact O-N 3.32Å; N54-R57 WeakPolarHBondContact O-CB 3.46Å; N54-R57 PolarHBondContact O-N 3.36Å; N54-R57 PolarHBondContact OD1-NH2 3.18Å; N54-N58 VanDerWaalsContact O-CG 3.31Å; N54-N58 PolarHBondContact O-N 3.16Å; N54-N58 PolarHBondContact O-ND2 3.23Å
55	E	87.7	Confident	77.5	Confident	74 Å²	74	79.6 Å²	79.6	35%	0.346	40%	0.401	S	S	.	.	H	α-helix	trans	-58.6	-45.7	176.2	-171.6	69.9	-169.5	0	0	111	E51 L52 R57 N58 L59 F384	E51-E55 PolarHBondContact O-N 3.41Å; L52-E55 PolarHBondContact O-N 2.93Å; E55-R57 VanDerWaalsContact C-N 3.35Å; E55-R57 PolarHBondContact O-N 2.94Å; E55-N58 PolarHBondContact O-N 3.41Å; E55-L59 HydrophobicContact CG-CD1 4.4Å; E55-L59 WeakPolarHBondContact O-CG 3.28Å; E55-L59 PolarHBondContact O-N 3.31Å; E55-F384 HydrophobicContact CB-CD1 4.27Å; E55-F384 HydrophobicContact CB-CE1 3.82Å; E55-F384 HydrophobicContact CG-CE1 3.85Å
56	L	88.4	Confident	77.8	Confident	9 Å²	9	78.6 Å²	78.6	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-59.3	-45.1	176.7	-69.4	178.8	0	0	0	111.5	L52 N54 N58 L59 Y60 K341 L342 T345 R349	L52-L56 HydrophobicContact CD1-CD1 4.23Å; L52-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.07Å; L52-L56 HydrophobicContact CG-CD1 4.12Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.37Å; N54-L56 VanDerWaalsContact C-N 3.31Å; N54-L56 PolarHBondContact O-N 3.32Å; L56-N58 PolarHBondContact O-N 2.75Å; L56-L59 PolarHBondContact O-N 2.76Å; L56-Y60 HydrophobicContact CB-CE2 4.22Å; L56-Y60 WeakPolarHBondContact O-CD2 3.37Å; L56-Y60 VanDerWaalsContact O-CE2 3.26Å; L56-Y60 WeakPolarHBondContact O-CE2 3.3Å; L56-Y60 PolarHBondContact O-N 2.82Å; L56-K341 HydrophobicContact CD1-CG 4.33Å; L56-L342 HydrophobicContact CD2-CD2 4.43Å; L56-T345 HydrophobicContact CD1-CG2 4.35Å; L56-R349 HydrophobicContact CD2-CG 4.07Å
57	R	87.2	Confident	77.9	Confident	113 Å²	113	75.7 Å²	75.7	43%	0.426	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-45.9	174.8	-79.9	-173.6	-79.3	-125.9	-0.8	111.9	Q53 N54 E55 L59 Y60 L61	Q53-R57 WeakPolarHBondContact O-CG 3.18Å; Q53-R57 PolarHBondContact O-N 2.78Å; N54-R57 WeakPolarHBondContact O-CB 3.46Å; N54-R57 PolarHBondContact O-N 3.36Å; N54-R57 PolarHBondContact OD1-NH2 3.18Å; E55-R57 VanDerWaalsContact C-N 3.35Å; E55-R57 PolarHBondContact O-N 2.94Å; R57-L59 VanDerWaalsContact C-N 3.34Å; R57-L59 PolarHBondContact O-N 2.68Å; R57-Y60 PolarHBondContact O-N 3.32Å; R57-L61 PolarHBondContact O-N 3.14Å
58	N	84.8	Confident	76.9	Confident	92 Å²	92	73 Å²	73	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-40.6	-179.9	-70.5	-23.4	0	0	0	112.1	N54 E55 L56 Y60 L61	N54-N58 VanDerWaalsContact O-CG 3.31Å; N54-N58 PolarHBondContact O-N 3.16Å; N54-N58 PolarHBondContact O-ND2 3.23Å; E55-N58 PolarHBondContact O-N 3.41Å; L56-N58 PolarHBondContact O-N 2.75Å; N58-Y60 VanDerWaalsContact C-N 3.26Å; N58-Y60 PolarHBondContact O-N 3.24Å; N58-L61 PolarHBondContact O-N 3.34Å; N58-L61 VanDerWaalsContact O-N 3.13Å
59	L	81.2	Confident	76.1	Confident	25 Å²	25	77.7 Å²	77.7	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-59.1	-37.5	175.8	-74.8	168.5	0	0	0	112.2	E55 L56 R57 L61 L289 H352	E55-L59 HydrophobicContact CG-CD1 4.4Å; E55-L59 WeakPolarHBondContact O-CG 3.28Å; E55-L59 PolarHBondContact O-N 3.31Å; L56-L59 PolarHBondContact O-N 2.76Å; R57-L59 VanDerWaalsContact C-N 3.34Å; R57-L59 PolarHBondContact O-N 2.68Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 PolarHBondContact O-N 3.44Å; L59-L289 HydrophobicContact CD1-CD1 3.76Å; L59-H352 PolarHBondContact O-CD2 3.49Å
60	Y	76.9	Confident	75.3	Confident	92 Å²	92	76.7 Å²	76.7	36%	0.361	38%	0.383	S	S	.	.	H	α-helix	trans	-75	-16.5	178.4	-59.9	-50.2	0	0	0	114.3	L56 R57 N58 Q348 R349	L56-Y60 HydrophobicContact CB-CE2 4.22Å; L56-Y60 WeakPolarHBondContact O-CD2 3.37Å; L56-Y60 VanDerWaalsContact O-CE2 3.26Å; L56-Y60 WeakPolarHBondContact O-CE2 3.3Å; L56-Y60 PolarHBondContact O-N 2.82Å; R57-Y60 PolarHBondContact O-N 3.32Å; N58-Y60 VanDerWaalsContact C-N 3.26Å; N58-Y60 PolarHBondContact O-N 3.24Å; Y60-Q348 HydrophobicContact CE1-CB 3.73Å; Y60-R349 HydrophobicContact CE1-CG 4.33Å
61	L	74.1	Confident	74.5	Confident	142 Å²	142	73 Å²	73	74%	0.743	36%	0.364	S	S	*	.	H	α-helix	trans	-83.7	-10.9	177.4	-67.3	174.9	0	0	0	113.2	R57 N58 L59 N63	R57-L61 PolarHBondContact O-N 3.14Å; N58-L61 PolarHBondContact O-N 3.34Å; N58-L61 VanDerWaalsContact O-N 3.13Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 PolarHBondContact O-N 3.44Å; L61-N63 PolarHBondContact O-N 2.69Å
62	V	68.4	Low	73.6	Confident	89 Å²	89	74.9 Å²	74.9	54%	0.539	37%	0.368	S	S	.	.	S	Bend	trans	-72.8	112.9	179.6	-176.7	0	0	0	0	109.9
63	N	59.6	Low	72.3	Confident	162 Å²	162	77.9 Å²	77.9	87%	0.866	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-69.2	130	-178.1	-155.6	-13.6	0	0	0	111.8	L61	L61-N63 PolarHBondContact O-N 2.69Å
64	I	55.4	Low	71.4	Confident	76 Å²	76	78.2 Å²	78.2	39%	0.39	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-95.3	123.8	-169.3	-74.1	175.7	0	0	0	112.2	Q66 H351 H352	I64-Q66 VanDerWaalsContact CG2-N 3.31Å; I64-H351 HydrophobicContact CD1-CB 3.84Å; I64-H352 WeakPolarHBondContact CD1-NE2 3.38Å
65	V	54.1	Low	70.5	Confident	102 Å²	102	76.7 Å²	76.7	62%	0.618	38%	0.375	S	S	*	.	S	Bend	trans	-85.7	125.1	137.1	175.3	0	0	0	0	106.4	S67	V65-S67 PolarHBondContact O-N 2.99Å; V65-S67 VanDerWaalsContact O-N 3.09Å
66	Q	63	Low	69.6	Low	133 Å²	133	79.3 Å²	79.3	62%	0.621	39%	0.387	S	S	*	.			trans	-24.2	108.5	-175.4	-74	172.5	-24.9	0	0	112.9	I64 E68 K69 L70	I64-Q66 VanDerWaalsContact CG2-N 3.31Å; Q66-E68 PolarHBondContact O-N 3.36Å; Q66-E68 VanDerWaalsContact O-N 3.16Å; Q66-K69 HydrophobicContact CB-CB 3.65Å; Q66-K69 CarbonylContact O-C 3.54Å; Q66-K69 VanDerWaalsContact O-CA 3.31Å; Q66-K69 WeakPolarHBondContact O-CA 3.05Å; Q66-K69 WeakPolarHBondContact O-CB 3.32Å; Q66-K69 PolarHBondContact O-N 2.74Å; Q66-L70 PolarHBondContact O-N 2.87Å
67	S	64.2	Low	68.4	Low	12 Å²	12	84.8 Å²	84.8	8%	0.084	42%	0.417	C	S	.	.	H	α-helix	trans	-56.5	-36.8	-172.7	60.2	0	0	0	0	113.3	V65 L70 T71 H351	V65-S67 PolarHBondContact O-N 2.99Å; V65-S67 VanDerWaalsContact O-N 3.09Å; S67-L70 PolarHBondContact O-N 3.05Å; S67-T71 PolarHBondContact O-N 3.39Å; S67-T71 PolarHBondContact O-OG1 2.98Å; S67-T71 VanDerWaalsContact O-OG1 3.14Å; S67-H351 WeakPolarHBondContact CB-O 3.43Å; S67-H351 PolarHBondContact OG-O 3.33Å
68	E	62.2	Low	67.5	Low	32 Å²	32	80.7 Å²	80.7	15%	0.15	41%	0.405	C	S	.	.	H	α-helix	trans	-62.2	-43.6	172.3	-172.2	-174.9	-173.7	0	0	111.7	Q66 L70 T71 R72 V281 R282	Q66-E68 PolarHBondContact O-N 3.36Å; Q66-E68 VanDerWaalsContact O-N 3.16Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.14Å; E68-T71 PolarHBondContact O-N 3.04Å; E68-R72 HydrophobicContact CG-CG 4.49Å; E68-R72 WeakPolarHBondContact O-CB 3.31Å; E68-R72 WeakPolarHBondContact O-CG 3.06Å; E68-R72 PolarHBondContact O-N 2.76Å; E68-R72 IonicContact OE1-CZ 2.88Å; E68-R72 VanDerWaalsContact OE1-CZ 3.32Å; E68-R72 IonicContact OE1-NE 3.97Å; E68-R72 PolarHBondContact OE1-NE 3.18Å; E68-R72 IonicContact OE1-NH2 2.92Å; E68-R72 PolarHBondContact OE1-NH2 2.02Å; E68-V281 HydrophobicContact CG-CG1 4.49Å; E68-R282 WeakPolarHBondContact OE1-CD 3.5Å; E68-R282 WeakPolarHBondContact OE2-CD 3.42Å; E68-R282 IonicContact OE2-CZ 3.83Å; E68-R282 IonicContact OE2-NE 3.32Å; E68-R282 IonicContact OE2-NH1 3.03Å; E68-R282 PolarHBondContact OE2-NH1 2.86Å
69	K	65.5	Low	66.5	Low	109 Å²	109	81 Å²	81	47%	0.474	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-42.9	174.4	-168.8	-175.1	179.1	178.3	0	110.1	Q66 R72 I73	Q66-K69 HydrophobicContact CB-CB 3.65Å; Q66-K69 CarbonylContact O-C 3.54Å; Q66-K69 VanDerWaalsContact O-CA 3.31Å; Q66-K69 WeakPolarHBondContact O-CA 3.05Å; Q66-K69 WeakPolarHBondContact O-CB 3.32Å; Q66-K69 PolarHBondContact O-N 2.74Å; K69-R72 PolarHBondContact O-N 3.08Å; K69-I73 HydrophobicContact CD-CD1 4.3Å; K69-I73 HydrophobicContact CG-CD1 3.73Å; K69-I73 HydrophobicContact CG-CG1 4.31Å; K69-I73 WeakPolarHBondContact O-CB 3.31Å; K69-I73 WeakPolarHBondContact O-CD1 3.44Å; K69-I73 WeakPolarHBondContact O-CG1 3.46Å; K69-I73 PolarHBondContact O-N 3.33Å
70	L	65.9	Low	65.7	Low	67 Å²	67	85.3 Å²	85.3	35%	0.351	43%	0.428	S	S	.	.	H	α-helix	trans	-64	-44.3	177.4	-174.9	65.6	0	0	0	112.1	Q66 S67 E68 I73 K74	Q66-L70 PolarHBondContact O-N 2.87Å; S67-L70 PolarHBondContact O-N 3.05Å; E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 3.14Å; L70-I73 PolarHBondContact O-N 3.5Å; L70-K74 WeakPolarHBondContact O-CB 3.43Å; L70-K74 WeakPolarHBondContact O-CG 3.46Å; L70-K74 PolarHBondContact O-N 2.92Å
71	T	69	Low	65.2	Low	2 Å²	2	86.2 Å²	86.2	1%	0.012	43%	0.434	C	S	.	.	H	α-helix	trans	-64.8	-45.1	177.1	-60.1	0	0	0	0	110.8	S67 E68 K74 L75 V281 L355	S67-T71 PolarHBondContact O-N 3.39Å; S67-T71 PolarHBondContact O-OG1 2.98Å; S67-T71 VanDerWaalsContact O-OG1 3.14Å; E68-T71 PolarHBondContact O-N 3.04Å; T71-K74 PolarHBondContact O-N 2.84Å; T71-L75 HydrophobicContact CG2-CD1 4.29Å; T71-L75 VanDerWaalsContact O-CG 3.31Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 3.12Å; T71-V281 HydrophobicContact CG2-CG1 3.9Å; T71-V281 HydrophobicContact CG2-CG2 4.4Å; T71-L355 HydrophobicContact CG2-CB 3.94Å; T71-L355 HydrophobicContact CG2-CD1 4.07Å
72	R	68.3	Low	65	Low	104 Å²	104	84.8 Å²	84.8	39%	0.392	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-47.5	174.2	-73.3	-175	-172.3	-163.7	6.5	111.9	E68 K69 K74 L75 E76 V281	E68-R72 HydrophobicContact CG-CG 4.49Å; E68-R72 WeakPolarHBondContact O-CB 3.31Å; E68-R72 WeakPolarHBondContact O-CG 3.06Å; E68-R72 PolarHBondContact O-N 2.76Å; E68-R72 IonicContact OE1-CZ 2.88Å; E68-R72 VanDerWaalsContact OE1-CZ 3.32Å; E68-R72 IonicContact OE1-NE 3.97Å; E68-R72 PolarHBondContact OE1-NE 3.18Å; E68-R72 IonicContact OE1-NH2 2.92Å; E68-R72 PolarHBondContact OE1-NH2 2.02Å; K69-R72 PolarHBondContact O-N 3.08Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-K74 PolarHBondContact O-N 2.81Å; R72-L75 CarbonylContact O-C 3.58Å; R72-L75 PolarHBondContact O-N 2.84Å; R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 WeakPolarHBondContact O-CG 3.33Å; R72-E76 PolarHBondContact O-N 2.89Å; R72-V281 HydrophobicContact CG-CG1 3.96Å
73	I	62.9	Low	65.7	Low	62 Å²	62	85 Å²	85	32%	0.318	44%	0.437	S	S	.	.	H	α-helix	trans	-57	-44.7	175.2	-74.7	171.4	0	0	0	110.9	K69 L70 L75 N77	K69-I73 HydrophobicContact CD-CD1 4.3Å; K69-I73 HydrophobicContact CG-CD1 3.73Å; K69-I73 HydrophobicContact CG-CG1 4.31Å; K69-I73 WeakPolarHBondContact O-CB 3.31Å; K69-I73 WeakPolarHBondContact O-CD1 3.44Å; K69-I73 WeakPolarHBondContact O-CG1 3.46Å; K69-I73 PolarHBondContact O-N 3.33Å; L70-I73 PolarHBondContact O-N 3.5Å; I73-L75 VanDerWaalsContact C-N 3.27Å; I73-L75 PolarHBondContact O-N 3.37Å; I73-N77 WeakPolarHBondContact CG2-ND2 3.42Å; I73-N77 WeakPolarHBondContact O-CB 3.41Å; I73-N77 PolarHBondContact O-N 3.48Å
74	K	70.9	Confident	67.2	Low	93 Å²	93	78.2 Å²	78.2	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-35	176.7	-80	178.9	176.9	-177.1	0	112.4	L70 T71 R72 S356	L70-K74 WeakPolarHBondContact O-CB 3.43Å; L70-K74 WeakPolarHBondContact O-CG 3.46Å; L70-K74 PolarHBondContact O-N 2.92Å; T71-K74 PolarHBondContact O-N 2.84Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-K74 PolarHBondContact O-N 2.81Å; K74-S356 PolarHBondContact NZ-O 3.07Å
75	L	70.9	Confident	69	Low	20 Å²	20	75.7 Å²	75.7	11%	0.105	39%	0.387	C	S	.	.	H	α-helix	trans	-79.4	-46.7	179.4	-69.1	178	0	0	0	112.3	T71 R72 I73 S78 F211 M212 I215 V281	T71-L75 HydrophobicContact CG2-CD1 4.29Å; T71-L75 VanDerWaalsContact O-CG 3.31Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 3.12Å; R72-L75 CarbonylContact O-C 3.58Å; R72-L75 PolarHBondContact O-N 2.84Å; I73-L75 VanDerWaalsContact C-N 3.27Å; I73-L75 PolarHBondContact O-N 3.37Å; L75-S78 WeakPolarHBondContact O-CB 3.32Å; L75-S78 PolarHBondContact O-N 3.06Å; L75-F211 HydrophobicContact CD1-CE1 4.19Å; L75-M212 HydrophobicContact CD2-CE 3.71Å; L75-M212 HydrophobicContact CD2-SD 3.74Å; L75-I215 HydrophobicContact CD1-CD1 4.27Å; L75-I215 HydrophobicContact CD2-CD1 3.98Å; L75-I215 HydrophobicContact CD2-CG2 3.72Å; L75-V281 HydrophobicContact CD1-CG2 3.63Å
76	E	68.5	Low	70.8	Confident	130 Å²	130	73.1 Å²	73.1	61%	0.607	37%	0.371	S	S	*	.	H	α-helix	trans	-69.3	-37.9	-178.3	-71.5	170.9	-173.6	0	0	112.1	R72 S78	R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 WeakPolarHBondContact O-CG 3.33Å; R72-E76 PolarHBondContact O-N 2.89Å; E76-S78 VanDerWaalsContact C-N 3.25Å; E76-S78 PolarHBondContact O-N 2.87Å
77	N	63.7	Low	72.2	Confident	124 Å²	124	67.1 Å²	67.1	66%	0.663	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	6.6	175.9	-64.6	-27.3	0	0	0	113.1	I73	I73-N77 WeakPolarHBondContact CG2-ND2 3.42Å; I73-N77 WeakPolarHBondContact O-CB 3.41Å; I73-N77 PolarHBondContact O-N 3.48Å
78	S	67.3	Low	73.4	Confident	26 Å²	26	69.6 Å²	69.6	18%	0.182	35%	0.354	C	S	.	.			trans	-67.6	124	178.8	-159.1	0	0	0	0	109.2	L75 E76 Y80 F81	L75-S78 WeakPolarHBondContact O-CB 3.32Å; L75-S78 PolarHBondContact O-N 3.06Å; E76-S78 VanDerWaalsContact C-N 3.25Å; E76-S78 PolarHBondContact O-N 2.87Å; S78-Y80 PolarHBondContact O-N 3.23Å; S78-F81 WeakPolarHBondContact O-CB 3.33Å; S78-F81 PolarHBondContact O-N 3.25Å
79	P	64.9	Low	74.8	Confident	100 Å²	100	72.3 Å²	72.3	65%	0.649	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.8	179.7	25.5	-34.7	0	0	0	112.6
80	Y	64.4	Low	76.2	Confident	114 Å²	114	67.1 Å²	67.1	45%	0.447	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.1	179.7	-58.6	-73.8	0	0	0	114.2	S78 S82 T83 Q84 K216	S78-Y80 PolarHBondContact O-N 3.23Å; Y80-S82 PolarHBondContact O-N 3.03Å; Y80-T83 WeakPolarHBondContact CA-OG1 3.41Å; Y80-T83 PolarHBondContact O-N 3.5Å; Y80-T83 PolarHBondContact O-OG1 2.71Å; Y80-Q84 PolarHBondContact O-N 3.01Å; Y80-K216 HydrophobicContact CD1-CB 4.38Å; Y80-K216 HydrophobicContact CD2-CB 4.12Å; Y80-K216 HydrophobicContact CD2-CD 3.99Å; Y80-K216 HydrophobicContact CD2-CG 3.67Å; Y80-K216 HydrophobicContact CE2-CD 4.14Å; Y80-K216 HydrophobicContact CE2-CG 4.33Å; Y80-K216 HydrophobicContact CG-CB 3.86Å; Y80-K216 HydrophobicContact CG-CG 3.94Å
81	F	66.4	Low	77.4	Confident	112 Å²	112	64 Å²	64	49%	0.491	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-61.1	-34.8	-174.9	-166.9	-97.4	0	0	0	112.1	S78	S78-F81 WeakPolarHBondContact O-CB 3.33Å; S78-F81 PolarHBondContact O-N 3.25Å
82	S	68.7	Low	78.5	Confident	112 Å²	112	68.4 Å²	68.4	78%	0.783	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-80.7	-12.2	176.4	57.2	0	0	0	0	114.4	Y80	Y80-S82 PolarHBondContact O-N 3.03Å
83	T	83.9	Confident	79.7	Confident	94 Å²	94	70.3 Å²	70.3	58%	0.577	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-106.9	7.6	-178.6	63.4	0	0	0	0	113	Y80 Q85	Y80-T83 WeakPolarHBondContact CA-OG1 3.41Å; Y80-T83 PolarHBondContact O-N 3.5Å; Y80-T83 PolarHBondContact O-OG1 2.71Å; T83-Q85 PolarHBondContact O-N 3.06Å
84	Q	91.4	Very high	81.2	Confident	18 Å²	18	67.8 Å²	67.8	8%	0.084	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-62.1	128.8	179.1	-71.9	176.2	-15.5	0	0	110.3	Y80 T86 I215 H219	Y80-Q84 PolarHBondContact O-N 3.01Å; Q84-T86 PolarHBondContact O-N 3.41Å; Q84-I215 PolarHBondContact NE2-O 3.11Å; Q84-H219 HydrophobicContact CB-CB 4.18Å; Q84-H219 PolarHBondContact OE1-ND1 2.72Å; Q84-H219 VanDerWaalsContact OE1-ND1 3.17Å
85	Q	92.5	Very high	82.3	Confident	24 Å²	24	66.9 Å²	66.9	11%	0.112	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-62.3	133.1	169.7	-174.9	-178.3	41.9	0	0	109.6	T83 E89 I90 R217 F218 H219	T83-Q85 PolarHBondContact O-N 3.06Å; Q85-E89 WeakPolarHBondContact CA-OE2 3.46Å; Q85-E89 HydrophobicContact CG-CB 4.35Å; Q85-I90 VanDerWaalsContact CD-CG1 3.47Å; Q85-I90 HydrophobicContact CG-CD1 4.42Å; Q85-I90 HydrophobicContact CG-CG1 3.89Å; Q85-R217 VanDerWaalsContact CB-O 3.31Å; Q85-R217 WeakPolarHBondContact CB-O 3.3Å; Q85-R217 PolarHBondContact N-O 3.23Å; Q85-F218 HydrophobicContact CB-CD2 4.44Å; Q85-F218 WeakPolarHBondContact O-CA 3.45Å; Q85-F218 WeakPolarHBondContact O-CD2 3.37Å; Q85-H219 PolarHBondContact O-N 3.29Å
86	T	92.2	Very high	83.3	Confident	47 Å²	47	69.1 Å²	69.1	29%	0.288	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-100.1	163.2	178	68.2	0	0	0	0	111.9	Q84 Q88 E89 I90	Q84-T86 PolarHBondContact O-N 3.41Å; T86-Q88 PolarHBondContact O-N 3.46Å; T86-Q88 PolarHBondContact OG1-N 3.28Å; T86-E89 PolarHBondContact N-OE2 3.35Å; T86-E89 PolarHBondContact O-N 3.47Å; T86-E89 WeakPolarHBondContact OG1-CG 3.28Å; T86-E89 PolarHBondContact OG1-N 2.86Å; T86-E89 PolarHBondContact OG1-OE2 2.82Å; T86-I90 WeakPolarHBondContact O-CG1 3.36Å; T86-I90 PolarHBondContact O-N 3.16Å; T86-I90 VanDerWaalsContact O-N 3.16Å
87	C	91.9	Very high	84.4	Confident	7 Å²	7	63.7 Å²	63.7	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-33.7	170.4	-70.3	0	0	0	0	113.1	I90 C91 S156 C187	C87-I90 PolarHBondContact O-N 2.9Å; C87-C91 VanDerWaalsContact O-CB 3.29Å; C87-C91 WeakPolarHBondContact O-CB 3.25Å; C87-C91 PolarHBondContact O-N 3.43Å; C87-S156 WeakPolarHBondContact SG-CB 3.39Å; C87-C187 WeakPolarHBondContact CA-SG 3.46Å; C87-C187 HydrophobicContact CB-CB 3.97Å; C87-C187 WeakPolarHBondContact CB-SG 3.28Å; C87-C187 WeakPolarHBondContact SG-CB 3.48Å; C87-C187 CovalentContact SG-SG 2.02Å; C87-C187 PolarHBondContact SG-SG 3.07Å
88	Q	90.2	Very high	85.7	Confident	65 Å²	65	60.9 Å²	60.9	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-47	179.2	-172.4	58.8	50.1	0	0	110.5	T86 I90 C91 D92 C145	T86-Q88 PolarHBondContact O-N 3.46Å; T86-Q88 PolarHBondContact OG1-N 3.28Å; Q88-I90 VanDerWaalsContact C-N 3.32Å; Q88-I90 PolarHBondContact O-N 2.9Å; Q88-C91 CarbonylContact O-C 3.52Å; Q88-C91 WeakPolarHBondContact O-CA 2.98Å; Q88-C91 VanDerWaalsContact O-CB 3.27Å; Q88-C91 WeakPolarHBondContact O-CB 3.35Å; Q88-C91 PolarHBondContact O-N 3.15Å; Q88-D92 PolarHBondContact NE2-OD1 2.64Å; Q88-D92 PolarHBondContact O-N 2.92Å; Q88-C145 PolarHBondContact NE2-SG 3.39Å
89	E	91.9	Very high	86.7	Confident	89 Å²	89	67.5 Å²	67.5	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-34.9	178.2	-66.7	169.8	139.3	0	0	113	Q85 T86 K93	Q85-E89 WeakPolarHBondContact CA-OE2 3.46Å; Q85-E89 HydrophobicContact CG-CB 4.35Å; T86-E89 PolarHBondContact N-OE2 3.35Å; T86-E89 PolarHBondContact O-N 3.47Å; T86-E89 WeakPolarHBondContact OG1-CG 3.28Å; T86-E89 PolarHBondContact OG1-N 2.86Å; T86-E89 PolarHBondContact OG1-OE2 2.82Å; E89-K93 WeakPolarHBondContact O-CG 2.9Å
90	I	93.8	Very high	88	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-48	170.9	-65	177	0	0	0	109.6	Q85 T86 C87 Q88 D92 K93 L94 I132 T138 F218	Q85-I90 VanDerWaalsContact CD-CG1 3.47Å; Q85-I90 HydrophobicContact CG-CD1 4.42Å; Q85-I90 HydrophobicContact CG-CG1 3.89Å; T86-I90 WeakPolarHBondContact O-CG1 3.36Å; T86-I90 PolarHBondContact O-N 3.16Å; T86-I90 VanDerWaalsContact O-N 3.16Å; C87-I90 PolarHBondContact O-N 2.9Å; Q88-I90 VanDerWaalsContact C-N 3.32Å; Q88-I90 PolarHBondContact O-N 2.9Å; I90-D92 PolarHBondContact O-N 2.86Å; I90-K93 PolarHBondContact O-N 2.82Å; I90-L94 HydrophobicContact CG2-CD1 3.97Å; I90-L94 WeakPolarHBondContact O-CG 3.29Å; I90-L94 PolarHBondContact O-N 3.05Å; I90-I132 HydrophobicContact CB-CD1 4.09Å; I90-I132 HydrophobicContact CG1-CD1 3.78Å; I90-I132 HydrophobicContact CG2-CD1 3.78Å; I90-I132 HydrophobicContact CG2-CG1 4.37Å; I90-T138 HydrophobicContact CG2-CG2 4.13Å; I90-F218 HydrophobicContact CD1-CD2 4.11Å; I90-F218 HydrophobicContact CD1-CE2 3.49Å; I90-F218 VanDerWaalsContact CD1-CE2 3.49Å; I90-F218 HydrophobicContact CD1-CZ 4.2Å
91	C	92.2	Very high	89.3	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-43	-179.3	-172.8	0	0	0	0	112.2	C87 Q88 K93 L94 T138 K140 C145	C87-C91 VanDerWaalsContact O-CB 3.29Å; C87-C91 WeakPolarHBondContact O-CB 3.25Å; C87-C91 PolarHBondContact O-N 3.43Å; Q88-C91 CarbonylContact O-C 3.52Å; Q88-C91 WeakPolarHBondContact O-CA 2.98Å; Q88-C91 VanDerWaalsContact O-CB 3.27Å; Q88-C91 WeakPolarHBondContact O-CB 3.35Å; Q88-C91 PolarHBondContact O-N 3.15Å; C91-K93 PolarHBondContact O-N 3.06Å; C91-L94 PolarHBondContact O-N 3.22Å; C91-T138 HydrophobicContact CB-CG2 3.53Å; C91-K140 VanDerWaalsContact O-CD 3.31Å; C91-K140 WeakPolarHBondContact O-CD 3.49Å; C91-K140 WeakPolarHBondContact O-CE 3.35Å; C91-K140 PolarHBondContact O-NZ 3.3Å; C91-C145 HydrophobicContact CB-CB 3.87Å; C91-C145 WeakPolarHBondContact CB-SG 3.17Å; C91-C145 WeakPolarHBondContact SG-CB 3.01Å; C91-C145 CovalentContact SG-SG 2.02Å; C91-C145 PolarHBondContact SG-SG 3.02Å
92	D	91.6	Very high	90.3	Very high	95 Å²	95	64.8 Å²	64.8	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-33.8	-177.3	-66.7	-23.4	0	0	0	111.7	Q88 I90 K140	Q88-D92 PolarHBondContact NE2-OD1 2.64Å; Q88-D92 PolarHBondContact O-N 2.92Å; I90-D92 PolarHBondContact O-N 2.86Å; D92-K140 PolarHBondContact O-NZ 3.12Å
93	K	93.5	Very high	91.2	Very high	145 Å²	145	69.7 Å²	69.7	63%	0.63	35%	0.352	S	S	*	.	H	α-helix	trans	-81.4	-12.9	178.2	-66.3	176.2	-177.8	178.2	0	114.7	E89 I90 C91 I132	E89-K93 WeakPolarHBondContact O-CG 2.9Å; I90-K93 PolarHBondContact O-N 2.82Å; C91-K93 PolarHBondContact O-N 3.06Å; K93-I132 HydrophobicContact CB-CG2 3.78Å
94	L	94.2	Very high	91.6	Very high	8 Å²	8	71.9 Å²	71.9	4%	0.042	35%	0.354	C	S	.	.	S	Bend	trans	-92.3	146.8	179.7	-71.6	170.1	0	0	0	111.6	I90 C91 P130 I132 W137 T138 K140	I90-L94 HydrophobicContact CG2-CD1 3.97Å; I90-L94 WeakPolarHBondContact O-CG 3.29Å; I90-L94 PolarHBondContact O-N 3.05Å; C91-L94 PolarHBondContact O-N 3.22Å; L94-P130 HydrophobicContact CD2-CB 4.31Å; L94-P130 HydrophobicContact CD2-CG 4.19Å; L94-I132 HydrophobicContact CD2-CG2 3.95Å; L94-I132 HydrophobicContact CG-CG2 4.19Å; L94-W137 HydrophobicContact CD1-CG 4.32Å; L94-T138 HydrophobicContact CD1-CG2 4.35Å; L94-T138 WeakPolarHBondContact CD1-O 3.33Å; L94-K140 WeakPolarHBondContact O-CD 3.42Å; L94-K140 WeakPolarHBondContact O-CE 3.17Å; L94-K140 PolarHBondContact O-NZ 3.49Å
95	P	93.8	Very high	91.6	Very high	74 Å²	74	71.9 Å²	71.9	48%	0.481	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-72.7	154.2	171.5	32.7	-35.7	0	0	0	110.7	I97 P130	P95-I97 PolarHBondContact O-N 3.37Å; P95-P130 HydrophobicContact CG-CB 3.81Å; P95-P130 HydrophobicContact CG-CG 3.6Å
96	V	93	Very high	91.6	Very high	68 Å²	68	73.3 Å²	73.3	41%	0.412	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63.7	133	174.6	172.8	0	0	0	0	109.7	P98 K140	V96-P98 WeakPolarHBondContact O-CD 3.46Å; V96-K140 HydrophobicContact CG2-CD 4.18Å; V96-K140 HydrophobicContact CG2-CG 4.26Å
97	I	91.4	Very high	91.7	Very high	16 Å²	16	73.8 Å²	73.8	8%	0.082	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75	122.3	173	-65.3	166.5	0	0	0	108.4	P95 M101 Y105 W137 Y139 K140	P95-I97 PolarHBondContact O-N 3.37Å; I97-M101 HydrophobicContact CG2-CB 4.09Å; I97-Y105 HydrophobicContact CD1-CD1 4.44Å; I97-Y105 HydrophobicContact CD1-CD2 4.27Å; I97-Y105 HydrophobicContact CD1-CE1 4.11Å; I97-Y105 HydrophobicContact CD1-CE2 3.93Å; I97-Y105 HydrophobicContact CG1-CE2 4.29Å; I97-Y105 HydrophobicContact CG2-CD2 3.9Å; I97-Y105 HydrophobicContact CG2-CE2 3.58Å; I97-W137 HydrophobicContact CD1-CH2 4.42Å; I97-W137 HydrophobicContact CD1-CZ2 3.98Å; I97-Y139 HydrophobicContact CB-CE2 4.38Å; I97-Y139 HydrophobicContact CD1-CD2 3.29Å; I97-Y139 HydrophobicContact CD1-CE2 3.44Å; I97-Y139 VanDerWaalsContact CD1-CE2 3.44Å; I97-Y139 HydrophobicContact CD1-CG 4.19Å; I97-Y139 HydrophobicContact CG1-CE2 4.5Å; I97-Y139 HydrophobicContact CG2-CE2 4.21Å; I97-K140 WeakPolarHBondContact CB-O 3.27Å; I97-K140 PolarHBondContact N-O 3.16Å
98	P	90.8	Very high	91.9	Very high	65 Å²	65	79.1 Å²	79.1	42%	0.422	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-57.4	141.1	178.2	-28	37.6	0	0	0	112.2	V96 N100 M101	V96-P98 WeakPolarHBondContact O-CD 3.46Å; P98-N100 WeakPolarHBondContact CB-OD1 3.2Å; P98-N100 PolarHBondContact O-N 3.17Å; P98-N100 VanDerWaalsContact O-N 3.15Å; P98-M101 HydrophobicContact CB-CG 4.37Å; P98-M101 HydrophobicContact CG-SD 4.42Å; P98-M101 PolarHBondContact O-N 2.85Å
99	K	88.5	Confident	92.1	Very high	164 Å²	164	76.5 Å²	76.5	71%	0.713	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-55	-36.4	-177.8	-72.3	-177.6	177.8	177.7	0	112.7	M101 S102	K99-M101 PolarHBondContact O-N 3.13Å; K99-S102 WeakPolarHBondContact O-CB 3.26Å; K99-S102 PolarHBondContact O-N 2.82Å; K99-S102 PolarHBondContact O-OG 3.04Å
100	N	91.9	Very high	92.3	Very high	136 Å²	136	77.1 Å²	77.1	73%	0.727	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-67.7	-19.5	177	66.7	-10	0	0	0	113.9	P98	P98-N100 WeakPolarHBondContact CB-OD1 3.2Å; P98-N100 PolarHBondContact O-N 3.17Å; P98-N100 VanDerWaalsContact O-N 3.15Å
101	M	90.9	Very high	92.3	Very high	93 Å²	93	78.6 Å²	78.6	46%	0.458	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-92.4	-5.6	176.2	-66.8	-166.6	179.5	0	0	113.5	I97 P98 K99 R103 K104 Y105	I97-M101 HydrophobicContact CG2-CB 4.09Å; P98-M101 HydrophobicContact CB-CG 4.37Å; P98-M101 HydrophobicContact CG-SD 4.42Å; P98-M101 PolarHBondContact O-N 2.85Å; K99-M101 PolarHBondContact O-N 3.13Å; M101-R103 PolarHBondContact O-N 3.31Å; M101-R103 VanDerWaalsContact O-N 3.14Å; M101-K104 VanDerWaalsContact O-CB 3.24Å; M101-K104 WeakPolarHBondContact O-CB 3.22Å; M101-K104 PolarHBondContact O-N 3.35Å; M101-Y105 WeakPolarHBondContact O-CD2 3.21Å
102	S	87.6	Confident	92.2	Very high	40 Å²	40	84.4 Å²	84.4	28%	0.28	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-56.2	-33	-176.2	59.6	0	0	0	0	114.2	K99 K104 Y105 Y139 R185	K99-S102 WeakPolarHBondContact O-CB 3.26Å; K99-S102 PolarHBondContact O-N 2.82Å; K99-S102 PolarHBondContact O-OG 3.04Å; S102-K104 VanDerWaalsContact C-N 3.28Å; S102-K104 PolarHBondContact O-N 2.86Å; S102-Y105 PolarHBondContact O-N 3.16Å; S102-Y105 VanDerWaalsContact O-N 3.13Å; S102-Y139 WeakPolarHBondContact CB-OH 3.41Å; S102-R185 PolarHBondContact O-NH2 2.81Å
103	R	89.3	Confident	92.1	Very high	215 Å²	215	81.9 Å²	81.9	81%	0.811	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23	175	-67.8	-176	-177.7	170.9	0.5	113.7	M101 Y105 T106	M101-R103 PolarHBondContact O-N 3.31Å; M101-R103 VanDerWaalsContact O-N 3.14Å; R103-Y105 PolarHBondContact O-N 2.89Å; R103-T106 PolarHBondContact O-OG1 2.88Å
104	K	91.6	Very high	91.9	Very high	141 Å²	141	78.1 Å²	78.1	61%	0.613	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-68.8	-21.6	173.3	-173.9	178.9	175.1	-177.3	0	111.7	M101 S102 R183	M101-K104 VanDerWaalsContact O-CB 3.24Å; M101-K104 WeakPolarHBondContact O-CB 3.22Å; M101-K104 PolarHBondContact O-N 3.35Å; S102-K104 VanDerWaalsContact C-N 3.28Å; S102-K104 PolarHBondContact O-N 2.86Å; K104-R183 VanDerWaalsContact O-CG 3.28Å; K104-R183 WeakPolarHBondContact O-CG 3.45Å
105	Y	91.7	Very high	91.4	Very high	17 Å²	17	87 Å²	87	7%	0.067	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-107.2	47.7	-177.6	-61.8	-88.9	0	0	0	110.9	I97 M101 S102 R103 W137 Y139 R182 R183 R185	I97-Y105 HydrophobicContact CD1-CD1 4.44Å; I97-Y105 HydrophobicContact CD1-CD2 4.27Å; I97-Y105 HydrophobicContact CD1-CE1 4.11Å; I97-Y105 HydrophobicContact CD1-CE2 3.93Å; I97-Y105 HydrophobicContact CG1-CE2 4.29Å; I97-Y105 HydrophobicContact CG2-CD2 3.9Å; I97-Y105 HydrophobicContact CG2-CE2 3.58Å; M101-Y105 WeakPolarHBondContact O-CD2 3.21Å; S102-Y105 PolarHBondContact O-N 3.16Å; S102-Y105 VanDerWaalsContact O-N 3.13Å; R103-Y105 PolarHBondContact O-N 2.89Å; Y105-W137 AromaticContact CD1-CH2 3.89Å; Y105-W137 HydrophobicContact CD1-CH2 3.89Å; Y105-W137 HydrophobicContact CD1-CZ2 4.07Å; Y105-W137 AromaticContact CE1-CH2 3.92Å; Y105-W137 HydrophobicContact CE1-CH2 3.92Å; Y105-W137 AromaticContact CE1-CZ2 3.61Å; Y105-W137 HydrophobicContact CE1-CZ2 3.61Å; Y105-Y139 HydrophobicContact CD1-CD2 4.17Å; Y105-Y139 HydrophobicContact CD1-CE2 4.33Å; Y105-Y139 AromaticContact CD2-CE2 3.9Å; Y105-Y139 HydrophobicContact CD2-CE2 3.9Å; Y105-Y139 AromaticContact CG-CD2 3.98Å; Y105-Y139 HydrophobicContact CG-CD2 3.98Å; Y105-Y139 AromaticContact CG-CE2 3.68Å; Y105-Y139 HydrophobicContact CG-CE2 3.68Å; Y105-R182 HydrophobicContact CD1-CB 4.05Å; Y105-R182 HydrophobicContact CE1-CB 4.11Å; Y105-R183 CarbonylContact C-O 3.55Å; Y105-R185 PolarHBondContact O-NE 3.39Å; Y105-R185 PolarHBondContact O-NH2 2.74Å
106	T	91.9	Very high	91.1	Very high	54 Å²	54	88.6 Å²	88.6	33%	0.331	47%	0.466	S	S	.	.	S	Bend	trans	-131.9	140.6	171.5	52.4	0	0	0	0	109.2	R103 R183	R103-T106 PolarHBondContact O-OG1 2.88Å; T106-R183 VanDerWaalsContact O-CD 3.3Å; T106-R183 WeakPolarHBondContact O-CD 3.4Å
107	P	94.6	Very high	90.9	Very high	58 Å²	58	86.4 Å²	86.4	38%	0.377	45%	0.452	S	S	.	.			trans	-57.8	141.2	177.4	-23.7	36.5	0	0	0	111.4	R183 Q184 D235 L236	P107-R183 VanDerWaalsContact CD-O 3.25Å; P107-R183 WeakPolarHBondContact CD-O 3.4Å; P107-Q184 HydrophobicContact CG-CG 4.39Å; P107-D235 WeakPolarHBondContact CA-OD1 3.43Å; P107-D235 VanDerWaalsContact CB-OD1 3.31Å; P107-D235 WeakPolarHBondContact CB-OD1 3.45Å; P107-L236 HydrophobicContact CB-CD2 3.82Å
108	I	95.1	Very high	90.9	Very high	119 Å²	119	90.1 Å²	90.1	61%	0.61	48%	0.475	S	S	*	.			trans	-114.8	-0.7	-179.4	60.6	164.1	0	0	0	113	D235	I108-D235 WeakPolarHBondContact CG1-OD2 3.37Å; I108-D235 PolarHBondContact N-OD1 3.33Å; I108-D235 PolarHBondContact N-OD2 3.44Å
109	G	95.5	Very high	91	Very high	10 Å²	10	88.7 Å²	88.7	10%	0.103	47%	0.465	C	S	.	.	S	Bend	trans	83.4	-132.3	-173.8	0	0	0	0	0	112.2	I111 N234 D235	G109-I111 PolarHBondContact O-N 3.47Å; G109-N234 WeakPolarHBondContact CA-OD1 3.33Å; G109-N234 VanDerWaalsContact O-CA 3.32Å; G109-N234 WeakPolarHBondContact O-CA 3.48Å; G109-N234 PolarHBondContact O-OD1 2.81Å; G109-D235 WeakPolarHBondContact CA-OD1 3.4Å; G109-D235 PolarHBondContact N-OD1 3.4Å; G109-D235 PolarHBondContact O-N 3.38Å
110	N	95.3	Very high	91.3	Very high	101 Å²	101	84.7 Å²	84.7	54%	0.54	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-63.2	127.4	-176	-67.7	-35	0	0	0	111.3	I233 N234	N110-I233 WeakPolarHBondContact CA-O 3.4Å; N110-N234 PolarHBondContact OD1-ND2 2.81Å
111	I	93.2	Very high	91.4	Very high	31 Å²	31	80.5 Å²	80.5	16%	0.159	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-92.5	119.6	176.8	-54.3	171.7	0	0	0	107.5	G109 V113 R183 I233 D235	G109-I111 PolarHBondContact O-N 3.47Å; I111-V113 HydrophobicContact CG2-CG1 4.11Å; I111-V113 PolarHBondContact O-N 3.47Å; I111-R183 VanDerWaalsContact CD1-NH2 3.3Å; I111-I233 PolarHBondContact N-O 2.89Å; I111-D235 HydrophobicContact CD1-CB 4.29Å
112	S	90	Very high	91.7	Very high	123 Å²	123	84 Å²	84	86%	0.86	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-69.6	120	171	-175.9	0	0	0	0	109.7
113	V	90.8	Very high	92.1	Very high	41 Å²	41	87.4 Å²	87.4	25%	0.248	45%	0.448	C	S	.	.			trans	-122.1	148.4	176.1	-64.3	0	0	0	0	110.4	I111 L117 T176 I233 K322	I111-V113 HydrophobicContact CG2-CG1 4.11Å; I111-V113 PolarHBondContact O-N 3.47Å; V113-L117 HydrophobicContact CG1-CD2 4.4Å; V113-T176 HydrophobicContact CG1-CG2 3.93Å; V113-I233 HydrophobicContact CB-CG2 4.42Å; V113-I233 HydrophobicContact CG1-CG2 3.8Å; V113-I233 HydrophobicContact CG2-CG2 3.71Å; V113-K322 HydrophobicContact CG2-CD 3.74Å
114	S	88.9	Confident	92.5	Very high	67 Å²	67	77.3 Å²	77.3	47%	0.469	41%	0.41	S	S	.	.			trans	-62.8	153.5	174.1	51.3	0	0	0	0	111.4	V116 K322	S114-V116 WeakPolarHBondContact CB-O 3.42Å; S114-V116 PolarHBondContact O-N 2.8Å; S114-V116 PolarHBondContact OG-O 3.13Å; S114-K322 WeakPolarHBondContact O-CE 3.48Å
115	K	83.1	Confident	92.8	Very high	193 Å²	193	72 Å²	72	84%	0.839	39%	0.388	S	S	*	.	S	Bend	trans	-55.3	-43.5	176.1	-174	178	-179.4	-179.6	0	111.5	K322	K115-K322 WeakPolarHBondContact O-CE 3.49Å; K115-K322 PolarHBondContact O-NZ 2.92Å
116	V	88.4	Confident	93.1	Very high	109 Å²	109	73.7 Å²	73.7	66%	0.661	40%	0.403	S	S	*	.	S	Bend	trans	-102.9	102.6	169.2	-179.1	0	0	0	0	107.3	S114 V118	S114-V116 WeakPolarHBondContact CB-O 3.42Å; S114-V116 PolarHBondContact O-N 2.8Å; S114-V116 PolarHBondContact OG-O 3.13Å; V116-V118 HydrophobicContact CG1-CB 4.36Å; V116-V118 HydrophobicContact CG1-CG2 3.71Å; V116-V118 PolarHBondContact O-N 2.97Å
117	L	89.1	Confident	93.2	Very high	22 Å²	22	76.7 Å²	76.7	12%	0.115	42%	0.416	C	S	.	.			trans	-91.1	93.2	176.2	-179.1	63.7	0	0	0	107.7	V113 S172 T176 A231 K322 L324	V113-L117 HydrophobicContact CG1-CD2 4.4Å; L117-S172 WeakPolarHBondContact O-CB 3.49Å; L117-S172 PolarHBondContact O-OG 3.12Å; L117-S172 VanDerWaalsContact O-OG 3.04Å; L117-T176 HydrophobicContact CD2-CG2 3.94Å; L117-A231 HydrophobicContact CD2-CB 3.75Å; L117-K322 HydrophobicContact CB-CD 3.94Å; L117-K322 HydrophobicContact CD2-CD 4.27Å; L117-L324 HydrophobicContact CB-CD2 4.15Å; L117-L324 HydrophobicContact CD2-CD2 4.3Å
118	V	90.4	Very high	93.2	Very high	94 Å²	94	74.5 Å²	74.5	57%	0.57	40%	0.401	S	S	*	.			trans	-134.4	135.9	175.5	176	0	0	0	0	107.7	V116 T168	V116-V118 HydrophobicContact CG1-CB 4.36Å; V116-V118 HydrophobicContact CG1-CG2 3.71Å; V116-V118 PolarHBondContact O-N 2.97Å; V118-T168 HydrophobicContact CG1-CG2 4.27Å
119	T	93.4	Very high	93.2	Very high	34 Å²	34	75 Å²	75	21%	0.209	40%	0.399	C	S	.	.			trans	-152.3	167.2	177.1	-172.9	0	0	0	0	109.2	V124 T171	T119-V124 HydrophobicContact CG2-CG2 3.61Å; T119-T171 HydrophobicContact CG2-CG2 3.96Å; T119-T171 WeakPolarHBondContact O-CG2 3.35Å
120	D	94.1	Very high	93.1	Very high	81 Å²	81	76.5 Å²	76.5	43%	0.433	41%	0.406	S	S	.	.			trans	-95.1	156	171.9	68.5	92.1	0	0	0	111.8	Y122 K123 V124 T171	D120-Y122 VanDerWaalsContact C-N 3.34Å; D120-Y122 PolarHBondContact O-N 2.91Å; D120-Y122 WeakPolarHBondContact OD1-CA 3.28Å; D120-Y122 WeakPolarHBondContact OD1-CB 3.49Å; D120-Y122 PolarHBondContact OD1-N 2.94Å; D120-Y122 VanDerWaalsContact OD1-N 3.13Å; D120-K123 PolarHBondContact O-N 3Å; D120-K123 WeakPolarHBondContact OD1-CB 3.46Å; D120-K123 PolarHBondContact OD1-N 3.19Å; D120-K123 WeakPolarHBondContact OD2-CB 3.49Å; D120-V124 WeakPolarHBondContact O-CG2 3.44Å; D120-V124 PolarHBondContact O-N 3.38Å; D120-T171 VanDerWaalsContact C-CG2 3.43Å
121	L	95	Very high	93	Very high	48 Å²	48	74.1 Å²	74.1	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-34.1	-176.4	-177.3	61.1	0	0	0	112.3	K123 V124 I125 T171 L174 L370 F371	L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.22Å; L121-V124 PolarHBondContact O-N 3.17Å; L121-V124 VanDerWaalsContact O-N 3.16Å; L121-I125 HydrophobicContact CD1-CD1 4.41Å; L121-I125 HydrophobicContact CD1-CG1 4.37Å; L121-I125 HydrophobicContact CD2-CD1 4.46Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 HydrophobicContact CG-CG1 4.33Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.2Å; L121-T171 HydrophobicContact CB-CG2 4.18Å; L121-L174 HydrophobicContact CD1-CD1 4.34Å; L121-L370 HydrophobicContact CD1-CD1 4.41Å; L121-F371 HydrophobicContact CD1-CE1 4.27Å; L121-F371 HydrophobicContact CD2-CE1 4.48Å
122	Y	96.3	Very high	92.9	Very high	165 Å²	165	73.5 Å²	73.5	65%	0.647	39%	0.389	S	S	*	.	H	α-helix	trans	-61.7	-43.5	179.6	175.7	-91.3	0	0	0	111.3	D120 I125 S126	D120-Y122 VanDerWaalsContact C-N 3.34Å; D120-Y122 PolarHBondContact O-N 2.91Å; D120-Y122 WeakPolarHBondContact OD1-CA 3.28Å; D120-Y122 WeakPolarHBondContact OD1-CB 3.49Å; D120-Y122 PolarHBondContact OD1-N 2.94Å; D120-Y122 VanDerWaalsContact OD1-N 3.13Å; Y122-I125 PolarHBondContact O-N 2.93Å; Y122-S126 WeakPolarHBondContact O-CB 3.12Å; Y122-S126 PolarHBondContact O-N 3.16Å
123	K	96.9	Very high	93.1	Very high	112 Å²	112	72.5 Å²	72.5	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-43.2	173.7	-175.1	174.9	-180	-178.2	0	111.9	D120 L121 S126 L127	D120-K123 PolarHBondContact O-N 3Å; D120-K123 WeakPolarHBondContact OD1-CB 3.46Å; D120-K123 PolarHBondContact OD1-N 3.19Å; D120-K123 WeakPolarHBondContact OD2-CB 3.49Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.22Å; K123-S126 PolarHBondContact O-N 3.37Å; K123-L127 HydrophobicContact CG-CD1 3.94Å; K123-L127 HydrophobicContact CG-CG 4.44Å; K123-L127 WeakPolarHBondContact O-CB 3.37Å; K123-L127 VanDerWaalsContact O-CG 3.3Å; K123-L127 WeakPolarHBondContact O-CG 3.42Å; K123-L127 PolarHBondContact O-N 2.99Å
124	V	97.4	Very high	93.4	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-43.1	177.4	-178.5	0	0	0	0	111.1	T119 D120 L121 N128 T171 L174 I178 L370	T119-V124 HydrophobicContact CG2-CG2 3.61Å; D120-V124 WeakPolarHBondContact O-CG2 3.44Å; D120-V124 PolarHBondContact O-N 3.38Å; L121-V124 PolarHBondContact O-N 3.17Å; L121-V124 VanDerWaalsContact O-N 3.16Å; V124-N128 WeakPolarHBondContact O-CB 3.47Å; V124-N128 PolarHBondContact O-N 3.32Å; V124-N128 PolarHBondContact O-ND2 2.77Å; V124-T171 HydrophobicContact CG2-CG2 4.23Å; V124-L174 HydrophobicContact CG1-CB 4.19Å; V124-I178 HydrophobicContact CG1-CD1 4.49Å; V124-L370 HydrophobicContact CB-CD1 4.39Å; V124-L370 HydrophobicContact CG1-CD1 3.74Å
125	I	97.6	Very high	93.8	Very high	29 Å²	29	67.6 Å²	67.6	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-50.8	174.7	-68	166.3	0	0	0	110.5	L121 Y122 L127 N128 K129 E369 L370	L121-I125 HydrophobicContact CD1-CD1 4.41Å; L121-I125 HydrophobicContact CD1-CG1 4.37Å; L121-I125 HydrophobicContact CD2-CD1 4.46Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 HydrophobicContact CG-CG1 4.33Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.2Å; Y122-I125 PolarHBondContact O-N 2.93Å; I125-L127 PolarHBondContact O-N 2.92Å; I125-N128 CarbonylContact O-C 3.55Å; I125-N128 PolarHBondContact O-N 2.98Å; I125-N128 VanDerWaalsContact O-N 3.14Å; I125-K129 PolarHBondContact O-N 3.2Å; I125-E369 HydrophobicContact CG1-CB 4.43Å; I125-E369 HydrophobicContact CG2-CB 4.27Å; I125-E369 HydrophobicContact CG2-CG 4.23Å; I125-L370 HydrophobicContact CB-CD1 4.33Å; I125-L370 HydrophobicContact CG1-CD1 3.59Å; I125-L370 HydrophobicContact CG1-CG 3.88Å
126	S	97.3	Very high	94.5	Very high	54 Å²	54	58.5 Å²	58.5	38%	0.378	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-44.8	-177.7	-172.2	0	0	0	0	112.5	Y122 K123 N128	Y122-S126 WeakPolarHBondContact O-CB 3.12Å; Y122-S126 PolarHBondContact O-N 3.16Å; K123-S126 PolarHBondContact O-N 3.37Å; S126-N128 VanDerWaalsContact C-N 3.26Å; S126-N128 PolarHBondContact O-N 2.73Å
127	L	95.3	Very high	94.8	Very high	116 Å²	116	53.5 Å²	53.5	61%	0.607	27%	0.269	S	S	*	.	H	α-helix	trans	-70.3	-20.4	180	-69.9	173.9	0	0	0	113.7	K123 I125	K123-L127 HydrophobicContact CG-CD1 3.94Å; K123-L127 HydrophobicContact CG-CG 4.44Å; K123-L127 WeakPolarHBondContact O-CB 3.37Å; K123-L127 VanDerWaalsContact O-CG 3.3Å; K123-L127 WeakPolarHBondContact O-CG 3.42Å; K123-L127 PolarHBondContact O-N 2.99Å; I125-L127 PolarHBondContact O-N 2.92Å
128	N	94.8	Very high	95.1	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.064	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	30.9	-177.1	-68	-73.8	0	0	0	113	V124 I125 S126 I178 R182 L370	V124-N128 WeakPolarHBondContact O-CB 3.47Å; V124-N128 PolarHBondContact O-N 3.32Å; V124-N128 PolarHBondContact O-ND2 2.77Å; I125-N128 CarbonylContact O-C 3.55Å; I125-N128 PolarHBondContact O-N 2.98Å; I125-N128 VanDerWaalsContact O-N 3.14Å; S126-N128 VanDerWaalsContact C-N 3.26Å; S126-N128 PolarHBondContact O-N 2.73Å; N128-I178 HydrophobicContact CB-CG2 3.93Å; N128-I178 WeakPolarHBondContact OD1-CG2 3.31Å; N128-R182 VanDerWaalsContact C-NH1 3.3Å; N128-R182 PolarHBondContact O-NH1 2.74Å; N128-R182 PolarHBondContact O-NH2 3.36Å; N128-L370 HydrophobicContact CB-CD2 4.28Å
129	K	94.3	Very high	95.2	Very high	130 Å²	130	48.5 Å²	48.5	57%	0.565	24%	0.239	S	C	*	.			trans	-71.6	150.4	164.8	-68.7	178	-179.9	176.5	0	111.5	I125	I125-K129 PolarHBondContact O-N 3.2Å
130	P	93.8	Very high	95.1	Very high	41 Å²	41	48.8 Å²	48.8	27%	0.266	24%	0.237	S	C	.	.	S	Bend	cis	-75.2	161.5	-9.9	35.7	-38.6	0	0	0	111.6	L94 P95 R182	L94-P130 HydrophobicContact CD2-CB 4.31Å; L94-P130 HydrophobicContact CD2-CG 4.19Å; P95-P130 HydrophobicContact CG-CB 3.81Å; P95-P130 HydrophobicContact CG-CG 3.6Å; P130-R182 PolarHBondContact O-NH1 3.36Å; P130-R182 PolarHBondContact O-NH2 2.99Å
131	H	91.9	Very high	94.8	Very high	52 Å²	52	46 Å²	46	24%	0.241	22%	0.223	C	C	.	.			trans	-142.8	158.1	174.7	51.2	59.8	0	0	0	109.7	E369 L370	H131-E369 WeakPolarHBondContact CE1-CG 3.31Å; H131-L370 HydrophobicContact CB-CD2 4.35Å
132	I	92.8	Very high	94.3	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.087	23%	0.233	C	C	.	.			trans	-108.8	153.8	165.9	59.5	156	0	0	0	108.8	I90 K93 L94 G134 G136	I90-I132 HydrophobicContact CB-CD1 4.09Å; I90-I132 HydrophobicContact CG1-CD1 3.78Å; I90-I132 HydrophobicContact CG2-CD1 3.78Å; I90-I132 HydrophobicContact CG2-CG1 4.37Å; K93-I132 HydrophobicContact CB-CG2 3.78Å; L94-I132 HydrophobicContact CD2-CG2 3.95Å; L94-I132 HydrophobicContact CG-CG2 4.19Å; I132-G134 PolarHBondContact O-N 2.01Å; I132-G136 WeakPolarHBondContact CG1-O 3.5Å
133	Q	94.2	Very high	93.2	Very high	103 Å²	103	44.7 Å²	44.7	48%	0.481	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	139.8	174.8	-69.7	-63.7	-14.6	0	0	110.9	E367 H368	Q133-E367 PolarHBondContact OE1-O 3.03Å; Q133-H368 PolarHBondContact OE1-O 2.98Å
134	G	96.6	Very high	92	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	10.5	-178.6	0	0	0	0	0	116.1	I132 G136 R189 E367 H368 T372	I132-G134 PolarHBondContact O-N 2.01Å; G134-G136 VanDerWaalsContact C-N 3.29Å; G134-G136 PolarHBondContact O-N 3.29Å; G134-R189 WeakPolarHBondContact O-CG 3.28Å; G134-R189 PolarHBondContact O-NE 2.94Å; G134-E367 WeakPolarHBondContact CA-OE2 3.21Å; G134-H368 WeakPolarHBondContact CA-O 3.42Å; G134-H368 PolarHBondContact N-O 3.3Å; G134-T372 PolarHBondContact O-N 2.02Å; G134-T372 PolarHBondContact O-OG1 3.39Å
135	G	97.4	Very high	90.9	Very high	4 Å²	4	47.7 Å²	47.7	4%	0.041	25%	0.249	C	C	.	.	S	Bend	trans	70.9	19.1	171.9	0	0	0	0	0	116.2	R189 I190 H368 L370	G135-R189 WeakPolarHBondContact O-CA 3.13Å; G135-I190 PolarHBondContact O-N 3.47Å; G135-H368 PolarHBondContact N-O 2.62Å; G135-L370 VanDerWaalsContact CA-O 3.28Å; G135-L370 WeakPolarHBondContact CA-O 3.39Å
136	G	96.9	Very high	89.2	Confident	3 Å²	3	52 Å²	52	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143.6	169.6	0	0	0	0	0	111.5	I132 G134 Y188	I132-G136 WeakPolarHBondContact CG1-O 3.5Å; G134-G136 VanDerWaalsContact C-N 3.29Å; G134-G136 PolarHBondContact O-N 3.29Å; G136-Y188 CarbonylContact C-O 3.59Å; G136-Y188 WeakPolarHBondContact CA-O 3.19Å
137	W	96.2	Very high	87.3	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.015	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	151.4	171	-170.7	89.6	0	0	0	111.8	L94 I97 Y105 Y139 R182 C187 Y188	L94-W137 HydrophobicContact CD1-CG 4.32Å; I97-W137 HydrophobicContact CD1-CH2 4.42Å; I97-W137 HydrophobicContact CD1-CZ2 3.98Å; Y105-W137 AromaticContact CD1-CH2 3.89Å; Y105-W137 HydrophobicContact CD1-CH2 3.89Å; Y105-W137 HydrophobicContact CD1-CZ2 4.07Å; Y105-W137 AromaticContact CE1-CH2 3.92Å; Y105-W137 HydrophobicContact CE1-CH2 3.92Å; Y105-W137 AromaticContact CE1-CZ2 3.61Å; Y105-W137 HydrophobicContact CE1-CZ2 3.61Å; W137-Y139 HydrophobicContact CH2-CD2 4.01Å; W137-Y139 HydrophobicContact CH2-CG 4.43Å; W137-R182 VanDerWaalsContact CD1-CZ 3.46Å; W137-R182 HydrophobicContact CD2-CG 3.79Å; W137-R182 HydrophobicContact CE3-CG 3.8Å; W137-R182 HydrophobicContact CG-CG 4.46Å; W137-R182 HydrophobicContact CH2-CB 3.94Å; W137-R182 HydrophobicContact CH2-CG 3.93Å; W137-R182 HydrophobicContact CZ2-CB 4.26Å; W137-R182 HydrophobicContact CZ2-CG 3.93Å; W137-R182 HydrophobicContact CZ3-CB 4.09Å; W137-R182 HydrophobicContact CZ3-CG 3.89Å; W137-C187 WeakPolarHBondContact O-CA 3.32Å; W137-Y188 HydrophobicContact CB-CD1 4.49Å; W137-Y188 HydrophobicContact CB-CE1 3.81Å; W137-Y188 HydrophobicContact CB-CE2 4.24Å; W137-Y188 HydrophobicContact CD2-CE1 4.32Å; W137-Y188 HydrophobicContact CE3-CD1 4.42Å; W137-Y188 AromaticContact CE3-CE1 3.82Å; W137-Y188 HydrophobicContact CE3-CE1 3.82Å; W137-Y188 HydrophobicContact CG-CE1 4.37Å; W137-Y188 PolarHBondContact N-O 3.43Å; W137-Y188 PolarHBondContact O-N 3.49Å
138	T	94.3	Very high	85.3	Confident	1 Å²	1	49 Å²	49	1%	0.006	25%	0.247	C	C	.	.			trans	-150.3	161.2	166.9	-174.4	0	0	0	0	111.6	I90 C91 L94 K140 N147	I90-T138 HydrophobicContact CG2-CG2 4.13Å; C91-T138 HydrophobicContact CB-CG2 3.53Å; L94-T138 HydrophobicContact CD1-CG2 4.35Å; L94-T138 WeakPolarHBondContact CD1-O 3.33Å; T138-K140 PolarHBondContact O-N 3.26Å; T138-N147 PolarHBondContact OG1-OD1 2.84Å
139	Y	92.2	Very high	83.1	Confident	10 Å²	10	54.1 Å²	54.1	4%	0.039	28%	0.279	C	S	.	.			trans	-81.9	108.2	179.9	-174.2	-101.5	0	0	0	111.5	I97 S102 Y105 W137 T141 K146 R185	I97-Y139 HydrophobicContact CB-CE2 4.38Å; I97-Y139 HydrophobicContact CD1-CD2 3.29Å; I97-Y139 HydrophobicContact CD1-CE2 3.44Å; I97-Y139 VanDerWaalsContact CD1-CE2 3.44Å; I97-Y139 HydrophobicContact CD1-CG 4.19Å; I97-Y139 HydrophobicContact CG1-CE2 4.5Å; I97-Y139 HydrophobicContact CG2-CE2 4.21Å; S102-Y139 WeakPolarHBondContact CB-OH 3.41Å; Y105-Y139 HydrophobicContact CD1-CD2 4.17Å; Y105-Y139 HydrophobicContact CD1-CE2 4.33Å; Y105-Y139 AromaticContact CD2-CE2 3.9Å; Y105-Y139 HydrophobicContact CD2-CE2 3.9Å; Y105-Y139 AromaticContact CG-CD2 3.98Å; Y105-Y139 HydrophobicContact CG-CD2 3.98Å; Y105-Y139 AromaticContact CG-CE2 3.68Å; Y105-Y139 HydrophobicContact CG-CE2 3.68Å; W137-Y139 HydrophobicContact CH2-CD2 4.01Å; W137-Y139 HydrophobicContact CH2-CG 4.43Å; Y139-T141 HydrophobicContact CD1-CG2 4.01Å; Y139-T141 HydrophobicContact CE1-CG2 3.38Å; Y139-K146 HydrophobicContact CD1-CB 4.46Å; Y139-K146 PolarHBondContact O-N 2.99Å; Y139-R185 HydrophobicContact CD1-CB 4.47Å; Y139-R185 HydrophobicContact CD1-CG 4.2Å; Y139-R185 HydrophobicContact CD2-CG 3.94Å; Y139-R185 HydrophobicContact CE2-CG 4.46Å; Y139-R185 HydrophobicContact CG-CB 4.05Å; Y139-R185 HydrophobicContact CG-CG 3.82Å
140	K	91.7	Very high	81	Confident	39 Å²	39	56.3 Å²	56.3	17%	0.17	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-100.4	124.2	-179.9	-171.8	177.9	-166.4	163.2	0	112.3	C91 D92 L94 V96 I97 T138	C91-K140 VanDerWaalsContact O-CD 3.31Å; C91-K140 WeakPolarHBondContact O-CD 3.49Å; C91-K140 WeakPolarHBondContact O-CE 3.35Å; C91-K140 PolarHBondContact O-NZ 3.3Å; D92-K140 PolarHBondContact O-NZ 3.12Å; L94-K140 WeakPolarHBondContact O-CD 3.42Å; L94-K140 WeakPolarHBondContact O-CE 3.17Å; L94-K140 PolarHBondContact O-NZ 3.49Å; V96-K140 HydrophobicContact CG2-CD 4.18Å; V96-K140 HydrophobicContact CG2-CG 4.26Å; I97-K140 WeakPolarHBondContact CB-O 3.27Å; I97-K140 PolarHBondContact N-O 3.16Å; T138-K140 PolarHBondContact O-N 3.26Å
141	T	88.3	Confident	78.8	Confident	22 Å²	22	61.8 Å²	61.8	14%	0.135	31%	0.311	C	S	.	.			trans	-105.9	169.3	169.2	63.2	0	0	0	0	110.7	Y139 D143 K144 K146	Y139-T141 HydrophobicContact CD1-CG2 4.01Å; Y139-T141 HydrophobicContact CE1-CG2 3.38Å; T141-D143 PolarHBondContact O-N 2.7Å; T141-K144 PolarHBondContact N-O 2.84Å; T141-K144 PolarHBondContact OG1-N 3.19Å; T141-K144 PolarHBondContact OG1-O 2.91Å; T141-K146 HydrophobicContact CG2-CD 4.34Å
142	S	83.1	Confident	76.8	Confident	68 Å²	68	63.5 Å²	63.5	48%	0.476	32%	0.315	S	S	.	.	S	Bend	trans	-57.2	-35.9	178.5	50.9	0	0	0	0	112.6
143	D	73.4	Confident	74.8	Confident	118 Å²	118	67 Å²	67	63%	0.631	33%	0.334	S	S	*	.	S	Bend	trans	-93.2	-31.8	-167.5	-46	-27.9	0	0	0	111.2	T141	T141-D143 PolarHBondContact O-N 2.7Å
144	K	72.9	Confident	73.4	Confident	151 Å²	151	67.1 Å²	67.1	66%	0.657	34%	0.335	S	S	*	.			trans	-162	166.7	-174.3	-62.6	-170.1	-179.2	178.9	0	113	T141 K146	T141-K144 PolarHBondContact N-O 2.84Å; T141-K144 PolarHBondContact OG1-N 3.19Å; T141-K144 PolarHBondContact OG1-O 2.91Å; K144-K146 PolarHBondContact O-N 3.38Å
145	C	74	Confident	73	Confident	27 Å²	27	68.5 Å²	68.5	18%	0.182	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-76.4	101.3	155.7	-46.1	0	0	0	0	107.7	Q88 C91 N147	Q88-C145 PolarHBondContact NE2-SG 3.39Å; C91-C145 HydrophobicContact CB-CB 3.87Å; C91-C145 WeakPolarHBondContact CB-SG 3.17Å; C91-C145 WeakPolarHBondContact SG-CB 3.01Å; C91-C145 CovalentContact SG-SG 2.02Å; C91-C145 PolarHBondContact SG-SG 3.02Å; C145-N147 PolarHBondContact O-N 2.97Å
146	K	61.1	Low	72.8	Confident	119 Å²	119	68.3 Å²	68.3	52%	0.517	34%	0.34	S	S	.	.			trans	-91.1	94.2	178.6	-76.7	-170.6	179.8	-176.5	0	108.7	Y139 T141 K144	Y139-K146 HydrophobicContact CD1-CB 4.46Å; Y139-K146 PolarHBondContact O-N 2.99Å; T141-K146 HydrophobicContact CG2-CD 4.34Å; K144-K146 PolarHBondContact O-N 3.38Å
147	N	58.6	Low	72.9	Confident	9 Å²	9	68.2 Å²	68.2	5%	0.048	34%	0.339	C	S	.	.			trans	-79.5	145.6	148.8	-65.3	-2.4	0	0	0	106.6	T138 C145 T149 I155 C187	T138-N147 PolarHBondContact OG1-OD1 2.84Å; C145-N147 PolarHBondContact O-N 2.97Å; N147-T149 PolarHBondContact O-N 3.12Å; N147-I155 PolarHBondContact ND2-O 2.95Å; N147-C187 WeakPolarHBondContact ND2-CB 3.49Å
148	N	53.8	Low	73	Confident	98 Å²	98	68 Å²	68	52%	0.524	34%	0.338	S	S	.	.	S	Bend	trans	-36.5	125.2	-172.2	-77.3	-36.3	0	0	0	115.1
149	T	48.1	Very low	73.2	Confident	120 Å²	120	68 Å²	68	74%	0.736	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	16.7	108.1	162.2	33.5	0	0	0	0	119.2	N147 K151	N147-T149 PolarHBondContact O-N 3.12Å; T149-K151 VanDerWaalsContact C-N 3.33Å; T149-K151 PolarHBondContact O-N 3.07Å
150	E	49.4	Very low	73.5	Confident	176 Å²	176	67.5 Å²	67.5	82%	0.822	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-40.5	144.2	-64.2	-172	177.4	0	0	120.6	N153	E150-N153 PolarHBondContact N-OD1 3.34Å
151	K	48.8	Very low	73.9	Confident	157 Å²	157	65.7 Å²	65.7	68%	0.683	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.1	-179.2	-161.7	169	-175.2	174.7	0	113.5	T149	T149-K151 VanDerWaalsContact C-N 3.33Å; T149-K151 PolarHBondContact O-N 3.07Å
152	Y	48.5	Very low	74.4	Confident	87 Å²	87	64.9 Å²	64.9	34%	0.341	32%	0.324	S	S	.	.			trans	-140.3	38.2	-164.1	-64.8	-59.5	0	0	0	112.1	Q154 I155 K243	Y152-Q154 PolarHBondContact O-N 3.42Å; Y152-I155 VanDerWaalsContact CB-CD1 3.49Å; Y152-I155 HydrophobicContact CD1-CD1 3.41Å; Y152-I155 VanDerWaalsContact CD1-CD1 3.41Å; Y152-I155 HydrophobicContact CD1-CG1 4.2Å; Y152-I155 HydrophobicContact CD2-CD1 4.44Å; Y152-I155 HydrophobicContact CE1-CD1 4.22Å; Y152-I155 HydrophobicContact CG-CD1 3.53Å; Y152-I155 HydrophobicContact CG-CG1 4.29Å; Y152-I155 PolarHBondContact O-N 3.3Å; Y152-I155 VanDerWaalsContact O-N 3.08Å; Y152-K243 HydrophobicContact CE2-CG 4.08Å
153	N	51.7	Low	75.1	Confident	91 Å²	91	61.7 Å²	61.7	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-10.4	-163.7	-90.1	-13.2	0	0	0	116.3	E150	E150-N153 PolarHBondContact N-OD1 3.34Å
154	Q	65.6	Low	76.1	Confident	105 Å²	105	58.4 Å²	58.4	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	35.4	176.2	-66.1	-174.7	-8.1	0	0	113.9	Y152 S156	Y152-Q154 PolarHBondContact O-N 3.42Å; Q154-S156 PolarHBondContact O-N 3.05Å
155	I	86.7	Confident	76.9	Confident	29 Å²	29	57 Å²	57	15%	0.149	28%	0.28	C	S	.	.			trans	-65.2	128.6	172	-72.1	-174.5	0	0	0	110.7	N147 Y152 D221 C241 F246	N147-I155 PolarHBondContact ND2-O 2.95Å; Y152-I155 VanDerWaalsContact CB-CD1 3.49Å; Y152-I155 HydrophobicContact CD1-CD1 3.41Å; Y152-I155 VanDerWaalsContact CD1-CD1 3.41Å; Y152-I155 HydrophobicContact CD1-CG1 4.2Å; Y152-I155 HydrophobicContact CD2-CD1 4.44Å; Y152-I155 HydrophobicContact CE1-CD1 4.22Å; Y152-I155 HydrophobicContact CG-CD1 3.53Å; Y152-I155 HydrophobicContact CG-CG1 4.29Å; Y152-I155 PolarHBondContact O-N 3.3Å; Y152-I155 VanDerWaalsContact O-N 3.08Å; I155-D221 WeakPolarHBondContact CA-OD2 3.31Å; I155-D221 HydrophobicContact CG2-CB 4.36Å; I155-C241 WeakPolarHBondContact CD1-O 3.5Å; I155-C241 HydrophobicContact CG2-CB 3.33Å; I155-C241 VanDerWaalsContact CG2-SG 3.55Å; I155-F246 HydrophobicContact CD1-CE2 3.73Å; I155-F246 HydrophobicContact CD1-CZ 3.95Å
156	S	94.5	Very high	77.9	Confident	1 Å²	1	58 Å²	58	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.4	176.8	17.7	0	0	0	0	113.2	C87 Q154 C187 F218 H219 F220 D221 C241	C87-S156 WeakPolarHBondContact SG-CB 3.39Å; Q154-S156 PolarHBondContact O-N 3.05Å; S156-C187 WeakPolarHBondContact CA-O 3.3Å; S156-F218 VanDerWaalsContact CB-CZ 3.41Å; S156-H219 VanDerWaalsContact CB-O 3.29Å; S156-H219 WeakPolarHBondContact CB-O 3.43Å; S156-H219 PolarHBondContact OG-O 2.87Å; S156-F220 WeakPolarHBondContact O-CB 3.47Å; S156-F220 WeakPolarHBondContact OG-CA 2.96Å; S156-D221 PolarHBondContact N-OD2 2.6Å; S156-D221 PolarHBondContact O-N 3.02Å; S156-C241 PolarHBondContact O-SG 3.39Å
157	V	97.8	Very high	79.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.4	176.6	61.2	0	0	0	0	112.1	I159 L186 C187 Y188 R189 C222 V224	V157-I159 HydrophobicContact CG1-CD1 4.2Å; V157-I159 HydrophobicContact CG2-CD1 3.78Å; V157-L186 HydrophobicContact CG1-CD1 4.28Å; V157-C187 PolarHBondContact N-O 3.32Å; V157-Y188 WeakPolarHBondContact O-CA 3.39Å; V157-Y188 WeakPolarHBondContact O-CB 3.5Å; V157-R189 PolarHBondContact O-N 3.44Å; V157-C222 WeakPolarHBondContact CA-O 3.47Å; V157-V224 HydrophobicContact CG2-CG2 3.74Å
158	A	98.8	Very high	81.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.5	165.8	0	0	0	0	0	109.9	F191 A214 F220 C222 V223 V224	A158-F191 HydrophobicContact CB-CD2 4.36Å; A158-F191 HydrophobicContact CB-CE2 4.19Å; A158-A214 HydrophobicContact CB-CB 4.2Å; A158-F220 HydrophobicContact CB-CB 4.22Å; A158-F220 HydrophobicContact CB-CD1 3.64Å; A158-F220 HydrophobicContact CB-CD2 3.71Å; A158-F220 HydrophobicContact CB-CE1 3.83Å; A158-F220 HydrophobicContact CB-CE2 3.87Å; A158-F220 HydrophobicContact CB-CG 3.58Å; A158-F220 HydrophobicContact CB-CZ 3.94Å; A158-C222 PolarHBondContact N-O 2.84Å; A158-V223 CarbonylContact O-C 3.59Å; A158-V223 VanDerWaalsContact O-CA 3.31Å; A158-V223 WeakPolarHBondContact O-CA 2.93Å; A158-V224 PolarHBondContact O-N 3.45Å
159	I	98.9	Very high	83.3	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.6	172.6	-47.4	-59.6	0	0	0	107.7	V157 I161 L177 L181 R189 I190 F191 V224 Y239	V157-I159 HydrophobicContact CG1-CD1 4.2Å; V157-I159 HydrophobicContact CG2-CD1 3.78Å; I159-I161 HydrophobicContact CG2-CG1 4.31Å; I159-L177 HydrophobicContact CG2-CD2 4.32Å; I159-L181 HydrophobicContact CD1-CD2 4.34Å; I159-L181 HydrophobicContact CG1-CD1 4.21Å; I159-R189 PolarHBondContact N-O 2.84Å; I159-I190 HydrophobicContact CB-CG1 4.17Å; I159-I190 HydrophobicContact CG1-CG1 4.32Å; I159-I190 WeakPolarHBondContact O-CA 3.24Å; I159-F191 PolarHBondContact O-N 2.89Å; I159-V224 HydrophobicContact CD1-CB 3.7Å; I159-V224 HydrophobicContact CD1-CG2 3.69Å; I159-Y239 HydrophobicContact CD1-CD1 3.86Å
160	V	98.9	Very high	85.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.4	-178.5	176.9	0	0	0	0	108.8	I193 F207 V223 V224 F225 H226	V160-I193 HydrophobicContact CG1-CG1 4Å; V160-F207 HydrophobicContact CG1-CD1 4.04Å; V160-V223 HydrophobicContact CB-CG2 4.25Å; V160-V223 HydrophobicContact CG2-CG2 3.72Å; V160-V224 PolarHBondContact N-O 3.47Å; V160-F225 HydrophobicContact CB-CD1 4.07Å; V160-F225 HydrophobicContact CB-CE1 4.4Å; V160-F225 HydrophobicContact CG1-CD1 4.25Å; V160-H226 PolarHBondContact O-N 2.94Å
161	I	98.9	Very high	88	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.8	179	-57	175.1	0	0	0	108.9	I159 L170 L174 L177 I190 F191 V192 I193 H226 A228	I159-I161 HydrophobicContact CG2-CG1 4.31Å; I161-L170 HydrophobicContact CD1-CD1 3.89Å; I161-L170 HydrophobicContact CG2-CD1 4.22Å; I161-L174 HydrophobicContact CD1-CD2 4.45Å; I161-L177 HydrophobicContact CD1-CD2 4.3Å; I161-I190 HydrophobicContact CD1-CG2 3.89Å; I161-F191 PolarHBondContact N-O 2.82Å; I161-V192 HydrophobicContact CB-CG2 4.43Å; I161-V192 HydrophobicContact CD1-CG2 4.43Å; I161-I193 PolarHBondContact O-N 2.96Å; I161-H226 WeakPolarHBondContact CA-O 3.48Å; I161-H226 HydrophobicContact CG1-CB 4.19Å; I161-A228 HydrophobicContact CG2-CB 3.8Å
162	A	98.5	Very high	90.3	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.4	173.3	0	0	0	0	0	109.7	F201 R203 I206 F207 H226 A228	A162-F201 HydrophobicContact CB-CE1 4.44Å; A162-F201 HydrophobicContact CB-CZ 4.03Å; A162-R203 HydrophobicContact CB-CG 4.23Å; A162-I206 HydrophobicContact CB-CB 4.3Å; A162-I206 HydrophobicContact CB-CG2 3.56Å; A162-F207 HydrophobicContact CB-CD1 3.85Å; A162-F207 HydrophobicContact CB-CE1 3.41Å; A162-F207 VanDerWaalsContact CB-CE1 3.41Å; A162-F207 HydrophobicContact CB-CZ 3.83Å; A162-H226 PolarHBondContact N-O 2.93Å; A162-A228 WeakPolarHBondContact O-CB 3.28Å
163	F	97.7	Very high	92.7	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.6	-165.8	-174.1	-91.7	0	0	0	113	R166 W167 L170 V192 I193 E194 E195 F201 A228	F163-R166 HydrophobicContact CD2-CB 4.1Å; F163-R166 HydrophobicContact CE2-CB 3.78Å; F163-R166 WeakPolarHBondContact CE2-O 3.49Å; F163-R166 HydrophobicContact CZ-CB 4.48Å; F163-W167 HydrophobicContact CE1-CD2 4.2Å; F163-W167 AromaticContact CE1-CE2 3.7Å; F163-W167 HydrophobicContact CE1-CG 4.45Å; F163-W167 AromaticContact CE1-CZ2 3.98Å; F163-W167 HydrophobicContact CE1-CZ2 3.98Å; F163-W167 AromaticContact CE1-NE1 3.65Å; F163-W167 HydrophobicContact CZ-CB 4.35Å; F163-W167 AromaticContact CZ-CD1 3.69Å; F163-W167 AromaticContact CZ-CD2 3.59Å; F163-W167 HydrophobicContact CZ-CD2 3.59Å; F163-W167 AromaticContact CZ-CE2 3.59Å; F163-W167 HydrophobicContact CZ-CE3 4.2Å; F163-W167 AromaticContact CZ-CG 3.66Å; F163-W167 HydrophobicContact CZ-CG 3.66Å; F163-W167 HydrophobicContact CZ-CZ2 4.17Å; F163-W167 AromaticContact CZ-NE1 3.62Å; F163-L170 HydrophobicContact CD2-CB 4.16Å; F163-L170 HydrophobicContact CD2-CD2 3.97Å; F163-L170 HydrophobicContact CE2-CB 3.69Å; F163-L170 HydrophobicContact CE2-CD2 3.66Å; F163-L170 HydrophobicContact CE2-CG 4.26Å; F163-L170 HydrophobicContact CZ-CD2 4.29Å; F163-V192 HydrophobicContact CB-CG1 3.66Å; F163-V192 HydrophobicContact CD1-CG1 4.17Å; F163-V192 HydrophobicContact CD2-CG1 4.07Å; F163-V192 HydrophobicContact CG-CG1 3.71Å; F163-I193 WeakPolarHBondContact CB-O 3.21Å; F163-I193 PolarHBondContact N-O 2.8Å; F163-E194 HydrophobicContact CD1-CB 3.82Å; F163-E194 HydrophobicContact CD1-CG 3.76Å; F163-E194 HydrophobicContact CE1-CG 4.22Å; F163-E194 WeakPolarHBondContact CE1-OE1 3.34Å; F163-E194 VanDerWaalsContact O-CA 3.28Å; F163-E194 WeakPolarHBondContact O-CA 3.39Å; F163-E195 PolarHBondContact O-N 3.25Å; F163-F201 WeakPolarHBondContact O-CE2 3.4Å; F163-A228 HydrophobicContact CD2-CB 4.06Å
164	R	94.5	Very high	94.9	Very high	49 Å²	49	26.8 Å²	26.8	19%	0.185	13%	0.13	C	C	.	.	S	Bend	trans	-161.5	121.7	160.6	-171.8	168.3	70.6	179.1	20.5	108.9	R166 E195 D199 F201	R164-R166 WeakPolarHBondContact O-CG 3.4Å; R164-R166 PolarHBondContact O-N 3.21Å; R164-R166 VanDerWaalsContact O-N 3.11Å; R164-E195 WeakPolarHBondContact CD-O 3.48Å; R164-E195 IonicContact CZ-OE1 3.59Å; R164-E195 IonicContact NH1-OE1 2.66Å; R164-E195 PolarHBondContact NH1-OE1 2.94Å; R164-D199 PolarHBondContact NH1-O 2.91Å; R164-D199 PolarHBondContact NH2-O 2.78Å; R164-F201 HydrophobicContact CB-CD2 3.8Å; R164-F201 HydrophobicContact CB-CE2 3.82Å; R164-F201 VanDerWaalsContact NH2-N 3.2Å
165	D	91	Very high	96.4	Very high	122 Å²	122	23.3 Å²	23.3	65%	0.652	12%	0.117	S	C	*	.	S	Bend	trans	54	30.4	176.5	-59.6	-43.4	0	0	0	115.9
166	R	94.1	Very high	96.9	Very high	47 Å²	47	22.3 Å²	22.3	18%	0.177	11%	0.113	C	C	.	.			trans	-114.2	32.4	-177.9	-66.8	-52.2	-175.1	90.7	-2.8	114.1	F163 R164 T168 Q169 L170 A228 D229 H326	F163-R166 HydrophobicContact CD2-CB 4.1Å; F163-R166 HydrophobicContact CE2-CB 3.78Å; F163-R166 WeakPolarHBondContact CE2-O 3.49Å; F163-R166 HydrophobicContact CZ-CB 4.48Å; R164-R166 WeakPolarHBondContact O-CG 3.4Å; R164-R166 PolarHBondContact O-N 3.21Å; R164-R166 VanDerWaalsContact O-N 3.11Å; R166-T168 VanDerWaalsContact C-N 3.33Å; R166-T168 PolarHBondContact O-N 2.87Å; R166-Q169 HydrophobicContact CB-CB 4.33Å; R166-Q169 PolarHBondContact O-N 3.19Å; R166-Q169 VanDerWaalsContact O-N 3.09Å; R166-Q169 PolarHBondContact O-OE1 3.44Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 PolarHBondContact O-N 3.03Å; R166-A228 HydrophobicContact CB-CB 4.12Å; R166-D229 IonicContact CZ-OD2 2.63Å; R166-D229 IonicContact NH1-OD2 3.67Å; R166-D229 PolarHBondContact NH1-OD2 3.03Å; R166-H326 PolarHBondContact NH1-CD2 2.84Å; R166-H326 PolarHBondContact NH2-ND1 2.67Å
167	W	95.1	Very high	97.1	Very high	75 Å²	75	22.2 Å²	22.2	28%	0.284	11%	0.112	S	C	.	.	H	α-helix	trans	-56.7	-40.6	-171.8	-75.7	102.4	0	0	0	114.1	F163 L170 T171 F371 H373	F163-W167 HydrophobicContact CE1-CD2 4.2Å; F163-W167 AromaticContact CE1-CE2 3.7Å; F163-W167 HydrophobicContact CE1-CG 4.45Å; F163-W167 AromaticContact CE1-CZ2 3.98Å; F163-W167 HydrophobicContact CE1-CZ2 3.98Å; F163-W167 AromaticContact CE1-NE1 3.65Å; F163-W167 HydrophobicContact CZ-CB 4.35Å; F163-W167 AromaticContact CZ-CD1 3.69Å; F163-W167 AromaticContact CZ-CD2 3.59Å; F163-W167 HydrophobicContact CZ-CD2 3.59Å; F163-W167 AromaticContact CZ-CE2 3.59Å; F163-W167 HydrophobicContact CZ-CE3 4.2Å; F163-W167 AromaticContact CZ-CG 3.66Å; F163-W167 HydrophobicContact CZ-CG 3.66Å; F163-W167 HydrophobicContact CZ-CZ2 4.17Å; F163-W167 AromaticContact CZ-NE1 3.62Å; W167-L170 HydrophobicContact CE3-CD2 4.1Å; W167-L170 HydrophobicContact CZ3-CD2 4.02Å; W167-T171 WeakPolarHBondContact O-CB 3.36Å; W167-T171 PolarHBondContact O-N 3.5Å; W167-T171 PolarHBondContact O-OG1 2.86Å; W167-F371 HydrophobicContact CZ3-CE2 4.41Å; W167-F371 HydrophobicContact CZ3-CZ 4.07Å; W167-H373 AromaticContact CZ2-CE1 3.96Å
168	T	95	Very high	97.1	Very high	80 Å²	80	22.2 Å²	22.2	49%	0.491	11%	0.112	S	C	.	.	H	α-helix	trans	-64.8	-42.5	177.1	-55	0	0	0	0	111.5	V118 R166 S172	V118-T168 HydrophobicContact CG1-CG2 4.27Å; R166-T168 VanDerWaalsContact C-N 3.33Å; R166-T168 PolarHBondContact O-N 2.87Å; T168-S172 PolarHBondContact O-N 3Å; T168-S172 PolarHBondContact O-OG 3.01Å
169	Q	96.9	Very high	97	Very high	30 Å²	30	23.7 Å²	23.7	14%	0.14	12%	0.122	C	C	.	.	H	α-helix	trans	-68.8	-48.3	178.1	-65.7	77	8.3	0	0	110.7	R166 T171 S172 V173 A228 D229 L324 P325	R166-Q169 HydrophobicContact CB-CB 4.33Å; R166-Q169 PolarHBondContact O-N 3.19Å; R166-Q169 VanDerWaalsContact O-N 3.09Å; R166-Q169 PolarHBondContact O-OE1 3.44Å; Q169-T171 VanDerWaalsContact C-N 3.3Å; Q169-T171 PolarHBondContact O-N 2.76Å; Q169-S172 CarbonylContact O-C 3.58Å; Q169-S172 WeakPolarHBondContact O-CA 3.39Å; Q169-S172 WeakPolarHBondContact O-CB 3.3Å; Q169-S172 PolarHBondContact O-N 3.24Å; Q169-V173 WeakPolarHBondContact O-CG2 3.35Å; Q169-V173 PolarHBondContact O-N 3.13Å; Q169-A228 CarbonylContact C-O 3.47Å; Q169-A228 WeakPolarHBondContact CB-O 3.41Å; Q169-D229 HydrophobicContact CB-CB 4.11Å; Q169-D229 HydrophobicContact CG-CB 4.08Å; Q169-L324 HydrophobicContact CB-CB 4.29Å; Q169-L324 HydrophobicContact CB-CD1 3.93Å; Q169-L324 HydrophobicContact CG-CB 3.83Å; Q169-L324 HydrophobicContact CG-CD1 4.35Å; Q169-L324 WeakPolarHBondContact O-CD1 3.33Å; Q169-P325 PolarHBondContact NE2-O 3.43Å
170	L	97.8	Very high	96.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-53.9	-47.7	177.3	173.8	65.4	0	0	0	111.3	I161 F163 R166 W167 S172 V173 L174 V192 A228	I161-L170 HydrophobicContact CD1-CD1 3.89Å; I161-L170 HydrophobicContact CG2-CD1 4.22Å; F163-L170 HydrophobicContact CD2-CB 4.16Å; F163-L170 HydrophobicContact CD2-CD2 3.97Å; F163-L170 HydrophobicContact CE2-CB 3.69Å; F163-L170 HydrophobicContact CE2-CD2 3.66Å; F163-L170 HydrophobicContact CE2-CG 4.26Å; F163-L170 HydrophobicContact CZ-CD2 4.29Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 PolarHBondContact O-N 3.03Å; W167-L170 HydrophobicContact CE3-CD2 4.1Å; W167-L170 HydrophobicContact CZ3-CD2 4.02Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 3.31Å; L170-V173 PolarHBondContact O-N 3.38Å; L170-L174 HydrophobicContact CD1-CD1 4.18Å; L170-L174 HydrophobicContact CD1-CD2 4.44Å; L170-L174 HydrophobicContact CD1-CG 4.09Å; L170-L174 HydrophobicContact CG-CD1 4.12Å; L170-L174 HydrophobicContact CG-CG 4.4Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 2.6Å; L170-V192 HydrophobicContact CD1-CG2 3.91Å; L170-V192 HydrophobicContact CD2-CG1 3.91Å; L170-V192 HydrophobicContact CD2-CG2 4Å; L170-A228 PolarHBondContact N-O 3.41Å
171	T	97.6	Very high	96.8	Very high	13 Å²	13	23.7 Å²	23.7	8%	0.08	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-40.8	178.3	-58.4	0	0	0	0	111.8	T119 D120 L121 V124 W167 Q169 S175	T119-T171 HydrophobicContact CG2-CG2 3.96Å; T119-T171 WeakPolarHBondContact O-CG2 3.35Å; D120-T171 VanDerWaalsContact C-CG2 3.43Å; L121-T171 HydrophobicContact CB-CG2 4.18Å; V124-T171 HydrophobicContact CG2-CG2 4.23Å; W167-T171 WeakPolarHBondContact O-CB 3.36Å; W167-T171 PolarHBondContact O-N 3.5Å; W167-T171 PolarHBondContact O-OG1 2.86Å; Q169-T171 VanDerWaalsContact C-N 3.3Å; Q169-T171 PolarHBondContact O-N 2.76Å; T171-S175 PolarHBondContact O-N 3.16Å; T171-S175 VanDerWaalsContact O-N 3.13Å
172	S	97.5	Very high	96.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-71.4	-38.3	178.6	-56.7	0	0	0	0	112.2	L117 T168 Q169 L170 S175	L117-S172 WeakPolarHBondContact O-CB 3.49Å; L117-S172 PolarHBondContact O-OG 3.12Å; L117-S172 VanDerWaalsContact O-OG 3.04Å; T168-S172 PolarHBondContact O-N 3Å; T168-S172 PolarHBondContact O-OG 3.01Å; Q169-S172 CarbonylContact O-C 3.58Å; Q169-S172 WeakPolarHBondContact O-CA 3.39Å; Q169-S172 WeakPolarHBondContact O-CB 3.3Å; Q169-S172 PolarHBondContact O-N 3.24Å; L170-S172 VanDerWaalsContact C-N 3.26Å; L170-S172 PolarHBondContact O-N 3.31Å; S172-S175 WeakPolarHBondContact O-CB 2.99Å; S172-S175 PolarHBondContact O-N 3.3Å; S172-S175 PolarHBondContact O-OG 2.79Å
173	V	98.6	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-51.3	171.2	172	0	0	0	0	110.3	Q169 L170 S175 T176 L177 A228 A231 L324	Q169-V173 WeakPolarHBondContact O-CG2 3.35Å; Q169-V173 PolarHBondContact O-N 3.13Å; L170-V173 PolarHBondContact O-N 3.38Å; V173-S175 PolarHBondContact O-N 3.07Å; V173-S175 VanDerWaalsContact O-N 3.17Å; V173-T176 PolarHBondContact O-N 3.27Å; V173-T176 PolarHBondContact O-OG1 3.43Å; V173-T176 VanDerWaalsContact O-OG1 3.05Å; V173-L177 HydrophobicContact CG1-CB 4.18Å; V173-L177 HydrophobicContact CG1-CD2 4Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 PolarHBondContact O-N 2.79Å; V173-A228 VanDerWaalsContact CG2-O 3.24Å; V173-A228 WeakPolarHBondContact CG2-O 3.36Å; V173-A231 HydrophobicContact CG2-CB 4.38Å; V173-L324 HydrophobicContact CG2-CD1 3.76Å
174	L	98.5	Very high	96.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-32.4	-180	-67.3	176.9	0	0	0	112.5	L121 V124 I161 L170 T176 I178 I190 F371	L121-L174 HydrophobicContact CD1-CD1 4.34Å; V124-L174 HydrophobicContact CG1-CB 4.19Å; I161-L174 HydrophobicContact CD1-CD2 4.45Å; L170-L174 HydrophobicContact CD1-CD1 4.18Å; L170-L174 HydrophobicContact CD1-CD2 4.44Å; L170-L174 HydrophobicContact CD1-CG 4.09Å; L170-L174 HydrophobicContact CG-CD1 4.12Å; L170-L174 HydrophobicContact CG-CG 4.4Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 2.6Å; L174-T176 PolarHBondContact O-N 3.47Å; L174-I178 HydrophobicContact CB-CD1 4.01Å; L174-I178 HydrophobicContact CD2-CD1 4.05Å; L174-I178 HydrophobicContact CD2-CG1 4.32Å; L174-I178 WeakPolarHBondContact O-CB 2.99Å; L174-I178 PolarHBondContact O-N 2.85Å; L174-I178 VanDerWaalsContact O-N 3.15Å; L174-I190 HydrophobicContact CD2-CD1 4.1Å; L174-I190 HydrophobicContact CD2-CG2 4.42Å; L174-F371 HydrophobicContact CD1-CD1 3.65Å; L174-F371 HydrophobicContact CD1-CE1 3.69Å
175	S	97.2	Very high	96.2	Very high	31 Å²	31	27.6 Å²	27.6	22%	0.217	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-23.5	178.4	83.3	0	0	0	0	114.5	T171 S172 V173 P179	T171-S175 PolarHBondContact O-N 3.16Å; T171-S175 VanDerWaalsContact O-N 3.13Å; S172-S175 WeakPolarHBondContact O-CB 2.99Å; S172-S175 PolarHBondContact O-N 3.3Å; S172-S175 PolarHBondContact O-OG 2.79Å; V173-S175 PolarHBondContact O-N 3.07Å; V173-S175 VanDerWaalsContact O-N 3.17Å; S175-P179 WeakPolarHBondContact O-CD 3.43Å; S175-P179 WeakPolarHBondContact O-CG 3.43Å
176	T	97.9	Very high	96.4	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.049	11%	0.109	C	C	.	.	H	α-helix	trans	-111.7	-39.5	179.6	54.8	0	0	0	0	112	V113 L117 V173 L174 P179 M180 A231 P232	V113-T176 HydrophobicContact CG1-CG2 3.93Å; L117-T176 HydrophobicContact CD2-CG2 3.94Å; V173-T176 PolarHBondContact O-N 3.27Å; V173-T176 PolarHBondContact O-OG1 3.43Å; V173-T176 VanDerWaalsContact O-OG1 3.05Å; L174-T176 PolarHBondContact O-N 3.47Å; T176-P179 WeakPolarHBondContact O-CD 3.46Å; T176-M180 WeakPolarHBondContact O-CB 3.48Å; T176-M180 PolarHBondContact O-N 2.75Å; T176-M180 VanDerWaalsContact O-N 3.16Å; T176-A231 WeakPolarHBondContact OG1-CB 3.44Å; T176-P232 WeakPolarHBondContact CB-O 3.34Å; T176-P232 WeakPolarHBondContact OG1-CD 3.46Å; T176-P232 PolarHBondContact OG1-O 2.82Å
177	L	98.5	Very high	96.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-52.1	178.6	177.6	60.1	0	0	0	111.7	I159 I161 V173 M180 L181 P232 Y239	I159-L177 HydrophobicContact CG2-CD2 4.32Å; I161-L177 HydrophobicContact CD1-CD2 4.3Å; V173-L177 HydrophobicContact CG1-CB 4.18Å; V173-L177 HydrophobicContact CG1-CD2 4Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 PolarHBondContact O-N 2.79Å; L177-M180 HydrophobicContact CD1-CE 3.67Å; L177-M180 WeakPolarHBondContact O-CB 3.3Å; L177-M180 PolarHBondContact O-N 3.35Å; L177-L181 HydrophobicContact CD1-CD1 3.96Å; L177-L181 HydrophobicContact CD1-CD2 4.14Å; L177-L181 HydrophobicContact CD1-CG 3.93Å; L177-L181 HydrophobicContact CG-CD1 3.94Å; L177-L181 HydrophobicContact CG-CG 4.31Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.12Å; L177-L181 PolarHBondContact O-N 2.89Å; L177-P232 HydrophobicContact CB-CG 4.06Å; L177-P232 HydrophobicContact CD1-CG 4.12Å; L177-Y239 HydrophobicContact CD1-CD1 3.9Å; L177-Y239 HydrophobicContact CD1-CE1 3.38Å
178	I	98.2	Very high	96.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-49.4	-175.5	-66.5	168.7	0	0	0	111.9	V124 N128 L174 M180 L181 R182 I190 L370	V124-I178 HydrophobicContact CG1-CD1 4.49Å; N128-I178 HydrophobicContact CB-CG2 3.93Å; N128-I178 WeakPolarHBondContact OD1-CG2 3.31Å; L174-I178 HydrophobicContact CB-CD1 4.01Å; L174-I178 HydrophobicContact CD2-CD1 4.05Å; L174-I178 HydrophobicContact CD2-CG1 4.32Å; L174-I178 WeakPolarHBondContact O-CB 2.99Å; L174-I178 PolarHBondContact O-N 2.85Å; L174-I178 VanDerWaalsContact O-N 3.15Å; I178-M180 VanDerWaalsContact C-N 3.27Å; I178-M180 PolarHBondContact O-N 3.45Å; I178-L181 PolarHBondContact O-N 2.72Å; I178-R182 HydrophobicContact CG2-CG 4.44Å; I178-R182 WeakPolarHBondContact O-CG 3.21Å; I178-R182 PolarHBondContact O-N 3.17Å; I178-I190 HydrophobicContact CD1-CD1 4.35Å; I178-I190 HydrophobicContact CG1-CD1 3.81Å; I178-L370 HydrophobicContact CD1-CB 3.85Å; I178-L370 HydrophobicContact CD1-CD1 3.71Å; I178-L370 HydrophobicContact CD1-CD2 4.08Å; I178-L370 HydrophobicContact CD1-CG 4.09Å
179	P	96.5	Very high	96.7	Very high	30 Å²	30	14 Å²	14	20%	0.195	7%	0.068	C	C	.	.	H	α-helix	trans	-57.9	-38.2	174.7	-27.2	36	0	0	0	113.3	S175 T176 R182 R183	S175-P179 WeakPolarHBondContact O-CD 3.43Å; S175-P179 WeakPolarHBondContact O-CG 3.43Å; T176-P179 WeakPolarHBondContact O-CD 3.46Å; P179-R182 PolarHBondContact O-N 3.46Å; P179-R183 WeakPolarHBondContact O-CB 3.17Å; P179-R183 WeakPolarHBondContact O-CG 3.47Å; P179-R183 PolarHBondContact O-N 3.22Å
180	M	97.1	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.9	-52.5	175.1	169.6	179.5	82.8	0	0	111.7	T176 L177 I178 R182 R183 Q184 P232 D235 N237 Y239	T176-M180 WeakPolarHBondContact O-CB 3.48Å; T176-M180 PolarHBondContact O-N 2.75Å; T176-M180 VanDerWaalsContact O-N 3.16Å; L177-M180 HydrophobicContact CD1-CE 3.67Å; L177-M180 WeakPolarHBondContact O-CB 3.3Å; L177-M180 PolarHBondContact O-N 3.35Å; I178-M180 VanDerWaalsContact C-N 3.27Å; I178-M180 PolarHBondContact O-N 3.45Å; M180-R182 PolarHBondContact O-N 3.19Å; M180-R183 PolarHBondContact O-N 3.13Å; M180-R183 VanDerWaalsContact O-N 3.09Å; M180-Q184 VanDerWaalsContact CG-NE2 3.27Å; M180-Q184 WeakPolarHBondContact O-CG 3.48Å; M180-Q184 PolarHBondContact O-N 2.84Å; M180-P232 HydrophobicContact CE-CB 3.73Å; M180-P232 HydrophobicContact CE-CG 3.57Å; M180-P232 HydrophobicContact SD-CB 3.69Å; M180-P232 HydrophobicContact SD-CG 3.99Å; M180-D235 HydrophobicContact CB-CB 3.96Å; M180-D235 HydrophobicContact CG-CB 3.62Å; M180-D235 HydrophobicContact SD-CB 4.4Å; M180-N237 HydrophobicContact SD-CB 4.46Å; M180-Y239 HydrophobicContact CE-CD1 4.05Å; M180-Y239 HydrophobicContact CE-CD2 3.36Å; M180-Y239 HydrophobicContact CE-CE1 3.98Å; M180-Y239 HydrophobicContact CE-CE2 3.28Å; M180-Y239 HydrophobicContact CE-CG 3.75Å; M180-Y239 HydrophobicContact SD-CD2 4.39Å; M180-Y239 HydrophobicContact SD-CE2 4.36Å
181	L	96.8	Very high	96.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56.5	-40.2	179.8	-64.6	173.1	0	0	0	111.5	I159 L177 I178 Q184 R185 L186 Y188 I190 Y239	I159-L181 HydrophobicContact CD1-CD2 4.34Å; I159-L181 HydrophobicContact CG1-CD1 4.21Å; L177-L181 HydrophobicContact CD1-CD1 3.96Å; L177-L181 HydrophobicContact CD1-CD2 4.14Å; L177-L181 HydrophobicContact CD1-CG 3.93Å; L177-L181 HydrophobicContact CG-CD1 3.94Å; L177-L181 HydrophobicContact CG-CG 4.31Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.12Å; L177-L181 PolarHBondContact O-N 2.89Å; I178-L181 PolarHBondContact O-N 2.72Å; L181-Q184 CarbonylContact O-C 3.52Å; L181-Q184 PolarHBondContact O-N 2.88Å; L181-R185 PolarHBondContact O-N 3.01Å; L181-L186 HydrophobicContact CD2-CD1 3.76Å; L181-L186 PolarHBondContact O-N 2.91Å; L181-Y188 HydrophobicContact CB-CD1 3.76Å; L181-Y188 HydrophobicContact CB-CE1 3.5Å; L181-Y188 VanDerWaalsContact CB-CE1 3.5Å; L181-Y188 HydrophobicContact CB-CG 4.47Å; L181-Y188 HydrophobicContact CD1-CD1 4.15Å; L181-Y188 HydrophobicContact CD1-CD2 3.89Å; L181-Y188 HydrophobicContact CD1-CE1 4.09Å; L181-Y188 HydrophobicContact CD1-CE2 3.87Å; L181-Y188 HydrophobicContact CD1-CG 4.04Å; L181-Y188 HydrophobicContact CG-CD1 4.46Å; L181-Y188 HydrophobicContact CG-CE1 4.42Å; L181-I190 HydrophobicContact CD1-CD1 4.11Å; L181-I190 HydrophobicContact CD1-CG1 4.46Å; L181-Y239 HydrophobicContact CD2-CD1 3.63Å; L181-Y239 HydrophobicContact CD2-CG 3.84Å
182	R	95	Very high	96.9	Very high	11 Å²	11	11.9 Å²	11.9	4%	0.042	6%	0.057	C	C	.	.	H	α-helix	trans	-69.5	-39.2	177.5	-69.6	-175.9	174.5	-161.2	1.3	112.8	Y105 N128 P130 W137 I178 P179 M180 Q184 R185 Y188	Y105-R182 HydrophobicContact CD1-CB 4.05Å; Y105-R182 HydrophobicContact CE1-CB 4.11Å; N128-R182 VanDerWaalsContact C-NH1 3.3Å; N128-R182 PolarHBondContact O-NH1 2.74Å; N128-R182 PolarHBondContact O-NH2 3.36Å; P130-R182 PolarHBondContact O-NH1 3.36Å; P130-R182 PolarHBondContact O-NH2 2.99Å; W137-R182 VanDerWaalsContact CD1-CZ 3.46Å; W137-R182 HydrophobicContact CD2-CG 3.79Å; W137-R182 HydrophobicContact CE3-CG 3.8Å; W137-R182 HydrophobicContact CG-CG 4.46Å; W137-R182 HydrophobicContact CH2-CB 3.94Å; W137-R182 HydrophobicContact CH2-CG 3.93Å; W137-R182 HydrophobicContact CZ2-CB 4.26Å; W137-R182 HydrophobicContact CZ2-CG 3.93Å; W137-R182 HydrophobicContact CZ3-CB 4.09Å; W137-R182 HydrophobicContact CZ3-CG 3.89Å; I178-R182 HydrophobicContact CG2-CG 4.44Å; I178-R182 WeakPolarHBondContact O-CG 3.21Å; I178-R182 PolarHBondContact O-N 3.17Å; P179-R182 PolarHBondContact O-N 3.46Å; M180-R182 PolarHBondContact O-N 3.19Å; R182-Q184 VanDerWaalsContact C-N 3.26Å; R182-Q184 PolarHBondContact O-N 2.94Å; R182-R185 WeakPolarHBondContact O-CA 3.2Å; R182-R185 PolarHBondContact O-N 2.93Å; R182-Y188 HydrophobicContact CG-CE1 4.32Å
183	R	94.5	Very high	97	Very high	37 Å²	37	11.8 Å²	11.8	14%	0.14	6%	0.057	C	C	.	.	H	α-helix	trans	-66.8	-29.5	174.1	-76.3	-169.3	-52.1	-94.2	3.5	112.5	K104 Y105 T106 P107 I111 P179 M180 R185 D235	K104-R183 VanDerWaalsContact O-CG 3.28Å; K104-R183 WeakPolarHBondContact O-CG 3.45Å; Y105-R183 CarbonylContact C-O 3.55Å; T106-R183 VanDerWaalsContact O-CD 3.3Å; T106-R183 WeakPolarHBondContact O-CD 3.4Å; P107-R183 VanDerWaalsContact CD-O 3.25Å; P107-R183 WeakPolarHBondContact CD-O 3.4Å; I111-R183 VanDerWaalsContact CD1-NH2 3.3Å; P179-R183 WeakPolarHBondContact O-CB 3.17Å; P179-R183 WeakPolarHBondContact O-CG 3.47Å; P179-R183 PolarHBondContact O-N 3.22Å; M180-R183 PolarHBondContact O-N 3.13Å; M180-R183 VanDerWaalsContact O-N 3.09Å; R183-R185 PolarHBondContact O-N 3.36Å; R183-D235 IonicContact CZ-OD2 3.26Å; R183-D235 VanDerWaalsContact CZ-OD2 3.24Å; R183-D235 IonicContact NE-OD2 2.61Å; R183-D235 PolarHBondContact NE-OD2 2.97Å; R183-D235 IonicContact NH2-OD2 3.27Å; R183-D235 PolarHBondContact NH2-OD2 2.99Å
184	Q	93.9	Very high	97	Very high	20 Å²	20	13 Å²	13	9%	0.093	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.9	169.4	-68.1	178.6	27.5	0	0	113.7	P107 M180 L181 R182 L186 D235 N237	P107-Q184 HydrophobicContact CG-CG 4.39Å; M180-Q184 VanDerWaalsContact CG-NE2 3.27Å; M180-Q184 WeakPolarHBondContact O-CG 3.48Å; M180-Q184 PolarHBondContact O-N 2.84Å; L181-Q184 CarbonylContact O-C 3.52Å; L181-Q184 PolarHBondContact O-N 2.88Å; R182-Q184 VanDerWaalsContact C-N 3.26Å; R182-Q184 PolarHBondContact O-N 2.94Å; Q184-L186 HydrophobicContact CB-CD1 4.05Å; Q184-L186 HydrophobicContact CB-CD2 4.07Å; Q184-L186 HydrophobicContact CB-CG 3.68Å; Q184-L186 PolarHBondContact O-N 2.96Å; Q184-D235 PolarHBondContact NE2-O 3.11Å; Q184-N237 PolarHBondContact NE2-O 3.42Å
185	R	93.3	Very high	96.9	Very high	70 Å²	70	13.2 Å²	13.2	26%	0.264	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	40.1	179.3	-58.2	179.9	-178.7	167.5	-1.2	112.8	S102 Y105 Y139 L181 R182 R183	S102-R185 PolarHBondContact O-NH2 2.81Å; Y105-R185 PolarHBondContact O-NE 3.39Å; Y105-R185 PolarHBondContact O-NH2 2.74Å; Y139-R185 HydrophobicContact CD1-CB 4.47Å; Y139-R185 HydrophobicContact CD1-CG 4.2Å; Y139-R185 HydrophobicContact CD2-CG 3.94Å; Y139-R185 HydrophobicContact CE2-CG 4.46Å; Y139-R185 HydrophobicContact CG-CB 4.05Å; Y139-R185 HydrophobicContact CG-CG 3.82Å; L181-R185 PolarHBondContact O-N 3.01Å; R182-R185 WeakPolarHBondContact O-CA 3.2Å; R182-R185 PolarHBondContact O-N 2.93Å; R183-R185 PolarHBondContact O-N 3.36Å
186	L	94.4	Very high	96.9	Very high	18 Å²	18	12.9 Å²	12.9	9%	0.094	6%	0.062	C	C	.	.			trans	-80.2	145.5	-178.7	-56.7	-179.6	0	0	0	110.8	V157 L181 Q184 Y188 G240	V157-L186 HydrophobicContact CG1-CD1 4.28Å; L181-L186 HydrophobicContact CD2-CD1 3.76Å; L181-L186 PolarHBondContact O-N 2.91Å; Q184-L186 HydrophobicContact CB-CD1 4.05Å; Q184-L186 HydrophobicContact CB-CD2 4.07Å; Q184-L186 HydrophobicContact CB-CG 3.68Å; Q184-L186 PolarHBondContact O-N 2.96Å; L186-Y188 HydrophobicContact CB-CD1 4.14Å; L186-G240 VanDerWaalsContact CD2-CA 3.47Å
187	C	94.9	Very high	96.6	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.3	154.8	178.4	0	0	0	0	108.5	C87 W137 N147 S156 V157	C87-C187 WeakPolarHBondContact CA-SG 3.46Å; C87-C187 HydrophobicContact CB-CB 3.97Å; C87-C187 WeakPolarHBondContact CB-SG 3.28Å; C87-C187 WeakPolarHBondContact SG-CB 3.48Å; C87-C187 CovalentContact SG-SG 2.02Å; C87-C187 PolarHBondContact SG-SG 3.07Å; W137-C187 WeakPolarHBondContact O-CA 3.32Å; N147-C187 WeakPolarHBondContact ND2-CB 3.49Å; S156-C187 WeakPolarHBondContact CA-O 3.3Å; V157-C187 PolarHBondContact N-O 3.32Å
188	Y	97.1	Very high	96.2	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163	-176.5	70	-95.5	0	0	0	112.1	G136 W137 V157 L181 R182 L186 I190	G136-Y188 CarbonylContact C-O 3.59Å; G136-Y188 WeakPolarHBondContact CA-O 3.19Å; W137-Y188 HydrophobicContact CB-CD1 4.49Å; W137-Y188 HydrophobicContact CB-CE1 3.81Å; W137-Y188 HydrophobicContact CB-CE2 4.24Å; W137-Y188 HydrophobicContact CD2-CE1 4.32Å; W137-Y188 HydrophobicContact CE3-CD1 4.42Å; W137-Y188 AromaticContact CE3-CE1 3.82Å; W137-Y188 HydrophobicContact CE3-CE1 3.82Å; W137-Y188 HydrophobicContact CG-CE1 4.37Å; W137-Y188 PolarHBondContact N-O 3.43Å; W137-Y188 PolarHBondContact O-N 3.49Å; V157-Y188 WeakPolarHBondContact O-CA 3.39Å; V157-Y188 WeakPolarHBondContact O-CB 3.5Å; L181-Y188 HydrophobicContact CB-CD1 3.76Å; L181-Y188 HydrophobicContact CB-CE1 3.5Å; L181-Y188 VanDerWaalsContact CB-CE1 3.5Å; L181-Y188 HydrophobicContact CB-CG 4.47Å; L181-Y188 HydrophobicContact CD1-CD1 4.15Å; L181-Y188 HydrophobicContact CD1-CD2 3.89Å; L181-Y188 HydrophobicContact CD1-CE1 4.09Å; L181-Y188 HydrophobicContact CD1-CE2 3.87Å; L181-Y188 HydrophobicContact CD1-CG 4.04Å; L181-Y188 HydrophobicContact CG-CD1 4.46Å; L181-Y188 HydrophobicContact CG-CE1 4.42Å; R182-Y188 HydrophobicContact CG-CE1 4.32Å; L186-Y188 HydrophobicContact CB-CD1 4.14Å; Y188-I190 HydrophobicContact CD2-CD1 4.3Å; Y188-I190 HydrophobicContact CD2-CG1 3.78Å; Y188-I190 HydrophobicContact CE2-CD1 3.81Å; Y188-I190 HydrophobicContact CE2-CG1 3.75Å
189	R	98.2	Very high	95.8	Very high	15 Å²	15	25.4 Å²	25.4	6%	0.057	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.6	162.2	-168.6	165.7	177	-180	-9	110.3	G134 G135 V157 I159 F191 F218 E367 T372	G134-R189 WeakPolarHBondContact O-CG 3.28Å; G134-R189 PolarHBondContact O-NE 2.94Å; G135-R189 WeakPolarHBondContact O-CA 3.13Å; V157-R189 PolarHBondContact O-N 3.44Å; I159-R189 PolarHBondContact N-O 2.84Å; R189-F191 HydrophobicContact CB-CE2 3.85Å; R189-F191 HydrophobicContact CB-CZ 4.19Å; R189-F191 HydrophobicContact CG-CE1 4.44Å; R189-F191 HydrophobicContact CG-CE2 3.81Å; R189-F191 HydrophobicContact CG-CZ 3.77Å; R189-F218 HydrophobicContact CB-CB 4.45Å; R189-F218 HydrophobicContact CB-CD1 3.63Å; R189-F218 HydrophobicContact CB-CD2 4.34Å; R189-F218 HydrophobicContact CB-CE1 3.86Å; R189-F218 HydrophobicContact CB-CG 3.9Å; R189-F218 HydrophobicContact CB-CZ 4.34Å; R189-E367 IonicContact NH2-OE1 2.94Å; R189-E367 PolarHBondContact NH2-OE1 2.84Å; R189-E367 IonicContact NH2-OE2 3.24Å; R189-E367 PolarHBondContact NH2-OE2 2.83Å; R189-T372 PolarHBondContact NE-OG1 2.86Å; R189-T372 PolarHBondContact NH2-OG1 3.18Å
190	I	98.9	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.8	-179.4	-55.5	177.3	0	0	0	109.5	G135 I159 I161 L174 I178 L181 Y188 F371 T372	G135-I190 PolarHBondContact O-N 3.47Å; I159-I190 HydrophobicContact CB-CG1 4.17Å; I159-I190 HydrophobicContact CG1-CG1 4.32Å; I159-I190 WeakPolarHBondContact O-CA 3.24Å; I161-I190 HydrophobicContact CD1-CG2 3.89Å; L174-I190 HydrophobicContact CD2-CD1 4.1Å; L174-I190 HydrophobicContact CD2-CG2 4.42Å; I178-I190 HydrophobicContact CD1-CD1 4.35Å; I178-I190 HydrophobicContact CG1-CD1 3.81Å; L181-I190 HydrophobicContact CD1-CD1 4.11Å; L181-I190 HydrophobicContact CD1-CG1 4.46Å; Y188-I190 HydrophobicContact CD2-CD1 4.3Å; Y188-I190 HydrophobicContact CD2-CG1 3.78Å; Y188-I190 HydrophobicContact CE2-CD1 3.81Å; Y188-I190 HydrophobicContact CE2-CG1 3.75Å; I190-F371 HydrophobicContact CB-CB 3.99Å; I190-F371 HydrophobicContact CG2-CB 3.81Å; I190-F371 CarbonylContact O-C 3.59Å; I190-F371 WeakPolarHBondContact O-CA 3.45Å; I190-T372 PolarHBondContact O-N 2.89Å
191	F	98.9	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.7	176	-61.3	-88.8	0	0	0	109.2	A158 I159 I161 R189 I193 A214 R217 F218 T372 I374	A158-F191 HydrophobicContact CB-CD2 4.36Å; A158-F191 HydrophobicContact CB-CE2 4.19Å; I159-F191 PolarHBondContact O-N 2.89Å; I161-F191 PolarHBondContact N-O 2.82Å; R189-F191 HydrophobicContact CB-CE2 3.85Å; R189-F191 HydrophobicContact CB-CZ 4.19Å; R189-F191 HydrophobicContact CG-CE1 4.44Å; R189-F191 HydrophobicContact CG-CE2 3.81Å; R189-F191 HydrophobicContact CG-CZ 3.77Å; F191-I193 HydrophobicContact CB-CD1 4.04Å; F191-A214 HydrophobicContact CD1-CB 4.39Å; F191-A214 HydrophobicContact CD2-CB 3.7Å; F191-A214 HydrophobicContact CE1-CB 4.27Å; F191-A214 HydrophobicContact CE2-CB 3.55Å; F191-A214 HydrophobicContact CG-CB 4.12Å; F191-A214 HydrophobicContact CZ-CB 3.85Å; F191-R217 HydrophobicContact CE1-CB 4.2Å; F191-R217 HydrophobicContact CZ-CB 4.35Å; F191-F218 HydrophobicContact CE2-CB 4.4Å; F191-F218 HydrophobicContact CZ-CB 3.98Å; F191-T372 CarbonylContact C-O 3.51Å; F191-T372 WeakPolarHBondContact CA-O 3.28Å; F191-T372 HydrophobicContact CD1-CG2 4.18Å; F191-T372 HydrophobicContact CE1-CG2 4.41Å; F191-I374 HydrophobicContact CD1-CD1 4.42Å
192	V	98.9	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.1	172	178.2	0	0	0	0	106.9	I161 F163 L170 F371 T372 H373 I374	I161-V192 HydrophobicContact CB-CG2 4.43Å; I161-V192 HydrophobicContact CD1-CG2 4.43Å; F163-V192 HydrophobicContact CB-CG1 3.66Å; F163-V192 HydrophobicContact CD1-CG1 4.17Å; F163-V192 HydrophobicContact CD2-CG1 4.07Å; F163-V192 HydrophobicContact CG-CG1 3.71Å; L170-V192 HydrophobicContact CD1-CG2 3.91Å; L170-V192 HydrophobicContact CD2-CG1 3.91Å; L170-V192 HydrophobicContact CD2-CG2 4Å; V192-F371 HydrophobicContact CB-CD2 3.9Å; V192-F371 HydrophobicContact CB-CE2 4.36Å; V192-F371 HydrophobicContact CG2-CB 3.99Å; V192-F371 HydrophobicContact CG2-CD2 3.5Å; V192-F371 VanDerWaalsContact CG2-CD2 3.5Å; V192-F371 HydrophobicContact CG2-CE2 4.1Å; V192-F371 HydrophobicContact CG2-CG 3.78Å; V192-T372 PolarHBondContact N-O 2.95Å; V192-H373 WeakPolarHBondContact O-CA 2.85Å; V192-I374 PolarHBondContact O-N 3.41Å
193	I	98.9	Very high	95.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105.5	-175.5	-47.3	-61.8	0	0	0	107.8	V160 I161 F163 F191 I206 V209 G210 I374 V376	V160-I193 HydrophobicContact CG1-CG1 4Å; I161-I193 PolarHBondContact O-N 2.96Å; F163-I193 WeakPolarHBondContact CB-O 3.21Å; F163-I193 PolarHBondContact N-O 2.8Å; F191-I193 HydrophobicContact CB-CD1 4.04Å; I193-I206 HydrophobicContact CB-CG2 3.78Å; I193-I206 HydrophobicContact CG2-CD1 4.15Å; I193-I206 HydrophobicContact CG2-CG2 3.8Å; I193-I206 WeakPolarHBondContact O-CG2 3.01Å; I193-V209 HydrophobicContact CG2-CB 4.37Å; I193-V209 HydrophobicContact CG2-CG1 4.02Å; I193-G210 VanDerWaalsContact CG1-CA 3.49Å; I193-I374 HydrophobicContact CD1-CB 3.99Å; I193-I374 HydrophobicContact CD1-CD1 3.96Å; I193-I374 HydrophobicContact CD1-CG1 4.15Å; I193-V376 HydrophobicContact CG2-CG2 4.06Å
194	E	98.6	Very high	95.5	Very high	25 Å²	25	25.9 Å²	25.9	12%	0.117	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.3	-177.4	-176.6	167.8	-141.3	0	0	110.7	F163 H373 I374 L375 V376	F163-E194 HydrophobicContact CD1-CB 3.82Å; F163-E194 HydrophobicContact CD1-CG 3.76Å; F163-E194 HydrophobicContact CE1-CG 4.22Å; F163-E194 WeakPolarHBondContact CE1-OE1 3.34Å; F163-E194 VanDerWaalsContact O-CA 3.28Å; F163-E194 WeakPolarHBondContact O-CA 3.39Å; E194-H373 WeakPolarHBondContact CB-NE2 3.37Å; E194-H373 IonicContact OE2-CE1 3.87Å; E194-H373 PolarHBondContact OE2-CE1 2.89Å; E194-H373 IonicContact OE2-NE2 3.53Å; E194-H373 PolarHBondContact OE2-NE2 3.28Å; E194-I374 PolarHBondContact N-O 3.38Å; E194-L375 HydrophobicContact CB-CD1 3.94Å; E194-L375 HydrophobicContact CG-CD1 3.63Å; E194-L375 WeakPolarHBondContact O-CA 3.32Å; E194-V376 WeakPolarHBondContact O-CG2 3.39Å; E194-V376 PolarHBondContact O-N 3.03Å
195	E	97.8	Very high	95.7	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.9	169.7	-167	-174.7	120.2	0	0	110.4	F163 R164 F201 N202 I206 L378	F163-E195 PolarHBondContact O-N 3.25Å; R164-E195 WeakPolarHBondContact CD-O 3.48Å; R164-E195 IonicContact CZ-OE1 3.59Å; R164-E195 IonicContact NH1-OE1 2.66Å; R164-E195 PolarHBondContact NH1-OE1 2.94Å; E195-F201 HydrophobicContact CB-CD2 3.95Å; E195-F201 HydrophobicContact CB-CE2 3.81Å; E195-F201 WeakPolarHBondContact OE2-CD2 3.19Å; E195-N202 PolarHBondContact OE2-N 2.87Å; E195-I206 HydrophobicContact CB-CD1 3.58Å; E195-I206 HydrophobicContact CB-CG1 4.03Å; E195-I206 HydrophobicContact CG-CD1 4.04Å; E195-I206 HydrophobicContact CG-CG1 4.46Å; E195-L378 HydrophobicContact CG-CD1 3.81Å; E195-L378 HydrophobicContact CG-CG 4.06Å
196	A	97	Very high	96	Very high	25 Å²	25	22.1 Å²	22.1	21%	0.207	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-82.6	154.5	172.6	0	0	0	0	0	111.6	L363 L375 V376	A196-L363 HydrophobicContact CB-CD1 3.68Å; A196-L375 HydrophobicContact CB-CD1 3.79Å; A196-L375 HydrophobicContact CB-CG 4.17Å; A196-V376 WeakPolarHBondContact CB-O 3.41Å; A196-V376 PolarHBondContact N-O 3.29Å
197	G	92.1	Very high	96.2	Very high	52 Å²	52	21.3 Å²	21.3	54%	0.536	12%	0.124	S	C	.	.	S	Bend	trans	99.6	-174.9	176.2	0	0	0	0	0	113
198	N	88.8	Confident	96.4	Very high	163 Å²	163	21.2 Å²	21.2	87%	0.872	12%	0.123	S	C	*	.	S	Bend	trans	-120.5	3.7	-174.4	-64.7	-32.6	0	0	0	113.1
199	D	89.4	Confident	96.4	Very high	56 Å²	56	21 Å²	21	30%	0.299	12%	0.122	S	C	.	.	S	Bend	trans	-65	176.5	175.8	-77.5	-0.9	0	0	0	110.6	R164 W291 N380 Q381	R164-D199 PolarHBondContact NH1-O 2.91Å; R164-D199 PolarHBondContact NH2-O 2.78Å; D199-W291 HydrophobicContact CB-CE3 4.22Å; D199-W291 HydrophobicContact CB-CZ3 3.82Å; D199-N380 WeakPolarHBondContact OD2-CA 3.45Å; D199-Q381 HydrophobicContact CB-CB 4.35Å; D199-Q381 HydrophobicContact CB-CG 4.4Å; D199-Q381 PolarHBondContact OD2-N 2.91Å
200	L	90.7	Very high	96.5	Very high	33 Å²	33	20.3 Å²	20.3	17%	0.173	12%	0.12	C	C	.	.			trans	-61.9	143.1	174.4	-65.5	171.7	0	0	0	110.9	N202 W291 G333 Q381 Y385	L200-N202 PolarHBondContact O-N 3.3Å; L200-W291 HydrophobicContact CB-CB 4Å; L200-W291 HydrophobicContact CD1-CB 4.41Å; L200-W291 WeakPolarHBondContact O-CZ3 3.44Å; L200-G333 WeakPolarHBondContact CD1-O 3.29Å; L200-G333 VanDerWaalsContact CD2-O 3.28Å; L200-G333 WeakPolarHBondContact CD2-O 3.21Å; L200-Q381 VanDerWaalsContact CG-OE1 3.29Å; L200-Q381 VanDerWaalsContact N-OE1 3.13Å; L200-Y385 HydrophobicContact CD1-CD1 3.78Å; L200-Y385 HydrophobicContact CD1-CE1 4.46Å; L200-Y385 HydrophobicContact CD1-CG 4.46Å
201	F	93.2	Very high	96.4	Very high	28 Å²	28	20.3 Å²	20.3	12%	0.123	12%	0.12	C	C	.	.			trans	-70.5	132.1	-178.4	-175.7	-120.4	0	0	0	110.7	A162 F163 R164 E195 R203 I206 G292	A162-F201 HydrophobicContact CB-CE1 4.44Å; A162-F201 HydrophobicContact CB-CZ 4.03Å; F163-F201 WeakPolarHBondContact O-CE2 3.4Å; R164-F201 HydrophobicContact CB-CD2 3.8Å; R164-F201 HydrophobicContact CB-CE2 3.82Å; R164-F201 VanDerWaalsContact NH2-N 3.2Å; E195-F201 HydrophobicContact CB-CD2 3.95Å; E195-F201 HydrophobicContact CB-CE2 3.81Å; E195-F201 WeakPolarHBondContact OE2-CD2 3.19Å; F201-R203 HydrophobicContact CD1-CB 4.02Å; F201-R203 HydrophobicContact CE1-CB 3.67Å; F201-R203 HydrophobicContact CE1-CG 4.26Å; F201-I206 HydrophobicContact CE2-CG1 3.98Å; F201-I206 HydrophobicContact CZ-CG1 4.29Å; F201-G292 PolarHBondContact O-N 3.14Å
202	N	95.7	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.			trans	-111.3	80.5	178.1	-169.8	-28.7	0	0	0	111	E195 L200 G204 M205 I206 N288 Y290 W291 L378	E195-N202 PolarHBondContact OE2-N 2.87Å; L200-N202 PolarHBondContact O-N 3.3Å; N202-G204 VanDerWaalsContact C-N 3.34Å; N202-G204 PolarHBondContact O-N 3.48Å; N202-M205 HydrophobicContact CB-CB 4.11Å; N202-M205 PolarHBondContact O-N 3.37Å; N202-M205 WeakPolarHBondContact OD1-CB 3.39Å; N202-M205 PolarHBondContact OD1-N 3.04Å; N202-I206 WeakPolarHBondContact O-CG1 3.37Å; N202-I206 PolarHBondContact O-N 3.1Å; N202-N288 PolarHBondContact ND2-O 3.01Å; N202-Y290 VanDerWaalsContact CG-O 3.25Å; N202-Y290 PolarHBondContact OD1-O 3.24Å; N202-W291 HydrophobicContact CB-CD2 4.06Å; N202-W291 HydrophobicContact CB-CE3 4.27Å; N202-W291 HydrophobicContact CB-CG 4.42Å; N202-W291 VanDerWaalsContact ND2-CE2 3.33Å; N202-W291 PolarHBondContact ND2-NE1 2.52Å; N202-L378 HydrophobicContact CB-CD1 3.96Å
203	R	96.7	Very high	96.1	Very high	27 Å²	27	21.7 Å²	21.7	10%	0.102	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-44.3	-177.1	178.2	176.4	161.6	-92.7	0.1	113.1	A162 F201 I206 F207 D227 E296	A162-R203 HydrophobicContact CB-CG 4.23Å; F201-R203 HydrophobicContact CD1-CB 4.02Å; F201-R203 HydrophobicContact CE1-CB 3.67Å; F201-R203 HydrophobicContact CE1-CG 4.26Å; R203-I206 PolarHBondContact O-N 3.02Å; R203-F207 HydrophobicContact CG-CD2 4.15Å; R203-F207 HydrophobicContact CG-CE2 3.69Å; R203-F207 HydrophobicContact CG-CZ 4.15Å; R203-F207 PolarHBondContact O-N 2.95Å; R203-D227 IonicContact CZ-OD1 2.63Å; R203-D227 VanDerWaalsContact CZ-OD1 3.32Å; R203-D227 IonicContact NE-OD1 3.34Å; R203-D227 PolarHBondContact NE-OD1 3.04Å; R203-D227 IonicContact NE-OD2 3.96Å; R203-D227 IonicContact NH2-OD1 3.2Å; R203-D227 PolarHBondContact NH2-OD1 3.19Å; R203-D227 IonicContact NH2-OD2 3.65Å; R203-E296 WeakPolarHBondContact CD-OE1 3.41Å; R203-E296 IonicContact CZ-OE1 2.68Å; R203-E296 IonicContact NE-OE1 2.76Å; R203-E296 IonicContact NH1-OE1 2.71Å; R203-E296 PolarHBondContact NH1-OE1 3.37Å
204	G	98.3	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-46.6	-179.5	0	0	0	0	0	112.1	N202 I206 F207 N208 H286	N202-G204 VanDerWaalsContact C-N 3.34Å; N202-G204 PolarHBondContact O-N 3.48Å; G204-I206 VanDerWaalsContact C-N 3.34Å; G204-I206 PolarHBondContact O-N 2.88Å; G204-F207 PolarHBondContact O-N 2.92Å; G204-N208 PolarHBondContact O-N 2.87Å; G204-H286 WeakPolarHBondContact O-CB 3.4Å
205	M	98.4	Very high	95.8	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.059	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-38.2	176.3	-166.9	171.9	179.7	0	0	111.8	N202 F207 N208 V209 N288 L358 K359 L378	N202-M205 HydrophobicContact CB-CB 4.11Å; N202-M205 PolarHBondContact O-N 3.37Å; N202-M205 WeakPolarHBondContact OD1-CB 3.39Å; N202-M205 PolarHBondContact OD1-N 3.04Å; M205-F207 VanDerWaalsContact C-N 3.34Å; M205-F207 PolarHBondContact O-N 2.95Å; M205-N208 WeakPolarHBondContact O-CB 3.33Å; M205-N208 PolarHBondContact O-N 3.47Å; M205-V209 WeakPolarHBondContact O-CG2 3.47Å; M205-V209 PolarHBondContact O-N 3.35Å; M205-N288 HydrophobicContact CB-CB 4.43Å; M205-N288 HydrophobicContact CG-CB 4.17Å; M205-N288 HydrophobicContact SD-CB 4.09Å; M205-L358 HydrophobicContact CE-CD1 4.06Å; M205-L358 HydrophobicContact CG-CD1 3.6Å; M205-K359 WeakPolarHBondContact CE-O 3.28Å; M205-L378 HydrophobicContact CB-CD1 4.15Å; M205-L378 HydrophobicContact CE-CB 4.12Å; M205-L378 HydrophobicContact CE-CD2 4.09Å; M205-L378 HydrophobicContact CG-CD1 4.1Å; M205-L378 HydrophobicContact CG-CD2 4.03Å; M205-L378 HydrophobicContact SD-CB 4.04Å; M205-L378 HydrophobicContact SD-CD1 3.94Å; M205-L378 HydrophobicContact SD-CD2 4.15Å; M205-L378 HydrophobicContact SD-CG 4.27Å
206	I	98.7	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-39.3	174.4	-71.7	-66.7	0	0	0	112.3	A162 I193 E195 F201 N202 R203 G204 V209 G210 V376 L378	A162-I206 HydrophobicContact CB-CB 4.3Å; A162-I206 HydrophobicContact CB-CG2 3.56Å; I193-I206 HydrophobicContact CB-CG2 3.78Å; I193-I206 HydrophobicContact CG2-CD1 4.15Å; I193-I206 HydrophobicContact CG2-CG2 3.8Å; I193-I206 WeakPolarHBondContact O-CG2 3.01Å; E195-I206 HydrophobicContact CB-CD1 3.58Å; E195-I206 HydrophobicContact CB-CG1 4.03Å; E195-I206 HydrophobicContact CG-CD1 4.04Å; E195-I206 HydrophobicContact CG-CG1 4.46Å; F201-I206 HydrophobicContact CE2-CG1 3.98Å; F201-I206 HydrophobicContact CZ-CG1 4.29Å; N202-I206 WeakPolarHBondContact O-CG1 3.37Å; N202-I206 PolarHBondContact O-N 3.1Å; R203-I206 PolarHBondContact O-N 3.02Å; G204-I206 VanDerWaalsContact C-N 3.34Å; G204-I206 PolarHBondContact O-N 2.88Å; I206-V209 PolarHBondContact O-N 3.09Å; I206-G210 PolarHBondContact O-N 3.45Å; I206-V376 HydrophobicContact CD1-CG2 3.68Å; I206-L378 HydrophobicContact CD1-CD1 3.91Å; I206-L378 HydrophobicContact CD1-CD2 4.12Å; I206-L378 HydrophobicContact CD1-CG 4.24Å; I206-L378 HydrophobicContact CG1-CD1 4.03Å
207	F	98.9	Very high	95.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-40	172.6	-73.1	-36	0	0	0	112.9	V160 A162 R203 G204 M205 G210 F211 F225 H286	V160-F207 HydrophobicContact CG1-CD1 4.04Å; A162-F207 HydrophobicContact CB-CD1 3.85Å; A162-F207 HydrophobicContact CB-CE1 3.41Å; A162-F207 VanDerWaalsContact CB-CE1 3.41Å; A162-F207 HydrophobicContact CB-CZ 3.83Å; R203-F207 HydrophobicContact CG-CD2 4.15Å; R203-F207 HydrophobicContact CG-CE2 3.69Å; R203-F207 HydrophobicContact CG-CZ 4.15Å; R203-F207 PolarHBondContact O-N 2.95Å; G204-F207 PolarHBondContact O-N 2.92Å; M205-F207 VanDerWaalsContact C-N 3.34Å; M205-F207 PolarHBondContact O-N 2.95Å; F207-G210 PolarHBondContact O-N 3.38Å; F207-F211 WeakPolarHBondContact O-CB 3.34Å; F207-F211 PolarHBondContact O-N 3.23Å; F207-F225 HydrophobicContact CB-CD1 3.58Å; F207-F225 HydrophobicContact CB-CE1 3.84Å; F207-F225 HydrophobicContact CB-CG 4.28Å; F207-F225 HydrophobicContact CD1-CB 3.85Å; F207-F225 AromaticContact CD1-CD1 3.52Å; F207-F225 HydrophobicContact CD1-CD1 3.52Å; F207-F225 HydrophobicContact CD1-CE1 4.49Å; F207-F225 HydrophobicContact CD1-CG 4.08Å; F207-F225 HydrophobicContact CD2-CB 4.06Å; F207-F225 HydrophobicContact CD2-CD1 4.35Å; F207-F225 HydrophobicContact CD2-CG 4.34Å; F207-F225 HydrophobicContact CE1-CB 3.77Å; F207-F225 HydrophobicContact CE1-CD1 4.26Å; F207-F225 HydrophobicContact CE1-CG 4.49Å; F207-F225 HydrophobicContact CE2-CB 3.97Å; F207-F225 HydrophobicContact CG-CB 4Å; F207-F225 AromaticContact CG-CD1 3.58Å; F207-F225 HydrophobicContact CG-CD1 3.58Å; F207-F225 HydrophobicContact CG-CE1 4.35Å; F207-F225 HydrophobicContact CG-CG 4Å; F207-F225 HydrophobicContact CZ-CB 3.85Å; F207-H286 AromaticContact CD2-NE2 3.56Å
208	N	98.7	Very high	95.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-46.7	173.2	-73.5	-14.9	0	0	0	111.4	G204 M205 F211 M212 F280 H286 N288 L355 L358	G204-N208 PolarHBondContact O-N 2.87Å; M205-N208 WeakPolarHBondContact O-CB 3.33Å; M205-N208 PolarHBondContact O-N 3.47Å; N208-F211 PolarHBondContact O-N 2.85Å; N208-M212 WeakPolarHBondContact O-CG 3.32Å; N208-M212 PolarHBondContact O-N 2.82Å; N208-F280 VanDerWaalsContact OD1-CZ 3.24Å; N208-F280 WeakPolarHBondContact OD1-CZ 3.31Å; N208-H286 PolarHBondContact ND2-O 3.47Å; N208-H286 PolarHBondContact OD1-N 2.63Å; N208-N288 PolarHBondContact ND2-OD1 3.03Å; N208-L355 HydrophobicContact CB-CD2 3.87Å; N208-L358 HydrophobicContact CB-CD1 3.72Å; N208-L358 HydrophobicContact CB-CD2 3.87Å; N208-L358 HydrophobicContact CB-CG 4.39Å
209	V	98.6	Very high	95.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.9	-47.1	175	173.7	0	0	0	0	110.7	I193 M205 I206 F211 M212 E213 L358 Y360 V376 L378	I193-V209 HydrophobicContact CG2-CB 4.37Å; I193-V209 HydrophobicContact CG2-CG1 4.02Å; M205-V209 WeakPolarHBondContact O-CG2 3.47Å; M205-V209 PolarHBondContact O-N 3.35Å; I206-V209 PolarHBondContact O-N 3.09Å; V209-F211 VanDerWaalsContact C-N 3.34Å; V209-F211 PolarHBondContact O-N 3.38Å; V209-M212 CarbonylContact O-C 3.49Å; V209-M212 PolarHBondContact O-N 3.04Å; V209-M212 VanDerWaalsContact O-N 3.13Å; V209-E213 HydrophobicContact CG1-CG 4.04Å; V209-E213 WeakPolarHBondContact O-CB 3.32Å; V209-E213 WeakPolarHBondContact O-CG 3.42Å; V209-E213 PolarHBondContact O-N 3.36Å; V209-L358 HydrophobicContact CG2-CD1 4.07Å; V209-L358 HydrophobicContact CG2-CD2 4.09Å; V209-L358 HydrophobicContact CG2-CG 4.35Å; V209-Y360 HydrophobicContact CG1-CD2 3.7Å; V209-Y360 HydrophobicContact CG1-CE2 3.68Å; V209-Y360 HydrophobicContact CG1-CG 4.16Å; V209-Y360 HydrophobicContact CG2-CD1 3.66Å; V209-Y360 HydrophobicContact CG2-CD2 4.06Å; V209-Y360 HydrophobicContact CG2-CE1 4.1Å; V209-Y360 HydrophobicContact CG2-CE2 4.48Å; V209-Y360 HydrophobicContact CG2-CG 3.63Å; V209-V376 HydrophobicContact CG1-CB 4.34Å; V209-V376 HydrophobicContact CG1-CG1 3.84Å; V209-V376 HydrophobicContact CG1-CG2 4.13Å; V209-L378 HydrophobicContact CG2-CD2 3.83Å
210	G	98.8	Very high	96	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-41.9	179.4	0	0	0	0	0	113.8	I193 I206 F207 E213 A214	I193-G210 VanDerWaalsContact CG1-CA 3.49Å; I206-G210 PolarHBondContact O-N 3.45Å; F207-G210 PolarHBondContact O-N 3.38Å; G210-E213 PolarHBondContact O-N 3.25Å; G210-A214 WeakPolarHBondContact O-CB 3.31Å; G210-A214 PolarHBondContact O-N 3.47Å
211	F	97.9	Very high	96.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-47.9	172.8	179.3	-96.6	0	0	0	111.6	L75 F207 N208 V209 E213 A214 I215 F220 V223 F225 N277 F280 V281 L355	L75-F211 HydrophobicContact CD1-CE1 4.19Å; F207-F211 WeakPolarHBondContact O-CB 3.34Å; F207-F211 PolarHBondContact O-N 3.23Å; N208-F211 PolarHBondContact O-N 2.85Å; V209-F211 VanDerWaalsContact C-N 3.34Å; V209-F211 PolarHBondContact O-N 3.38Å; F211-E213 PolarHBondContact O-N 3.11Å; F211-A214 PolarHBondContact O-N 2.65Å; F211-I215 HydrophobicContact CZ-CD1 4.31Å; F211-I215 WeakPolarHBondContact O-CG2 3.21Å; F211-I215 PolarHBondContact O-N 3.14Å; F211-F220 HydrophobicContact CD2-CE2 4.22Å; F211-F220 HydrophobicContact CD2-CZ 4.2Å; F211-F220 AromaticContact CE2-CE2 3.98Å; F211-F220 HydrophobicContact CE2-CE2 3.98Å; F211-F220 HydrophobicContact CE2-CZ 4.17Å; F211-V223 HydrophobicContact CD2-CB 4.38Å; F211-V223 HydrophobicContact CD2-CG1 4.06Å; F211-V223 HydrophobicContact CE2-CG1 4.34Å; F211-F225 HydrophobicContact CB-CE1 4.28Å; F211-F225 HydrophobicContact CB-CZ 4.35Å; F211-F225 HydrophobicContact CD2-CZ 4.44Å; F211-N277 HydrophobicContact CE2-CB 4.13Å; F211-N277 HydrophobicContact CZ-CB 4.15Å; F211-F280 HydrophobicContact CB-CD1 4.1Å; F211-F280 HydrophobicContact CB-CE1 3.56Å; F211-F280 HydrophobicContact CB-CZ 4.48Å; F211-F280 AromaticContact CD1-CD1 3.77Å; F211-F280 HydrophobicContact CD1-CD1 3.77Å; F211-F280 AromaticContact CD1-CE1 3.84Å; F211-F280 HydrophobicContact CD1-CE1 3.84Å; F211-F280 AromaticContact CD2-CD1 3.56Å; F211-F280 HydrophobicContact CD2-CD1 3.56Å; F211-F280 AromaticContact CD2-CE1 3.94Å; F211-F280 HydrophobicContact CD2-CE1 3.94Å; F211-F280 HydrophobicContact CE1-CD1 4.04Å; F211-F280 AromaticContact CE2-CD1 3.84Å; F211-F280 HydrophobicContact CE2-CD1 3.84Å; F211-F280 AromaticContact CG-CD1 3.52Å; F211-F280 HydrophobicContact CG-CD1 3.52Å; F211-F280 AromaticContact CG-CE1 3.49Å; F211-F280 HydrophobicContact CG-CE1 3.49Å; F211-F280 VanDerWaalsContact CG-CE1 3.49Å; F211-F280 HydrophobicContact CZ-CD1 4.08Å; F211-V281 HydrophobicContact CE1-CG2 4.01Å; F211-V281 HydrophobicContact CZ-CG2 3.94Å; F211-L355 HydrophobicContact CD1-CD1 4.33Å; F211-L355 HydrophobicContact CD1-CD2 4.14Å; F211-L355 HydrophobicContact CE1-CD1 4.36Å
212	M	95.7	Very high	96.4	Very high	25 Å²	25	15 Å²	15	12%	0.123	7%	0.068	C	C	.	.	H	α-helix	trans	-68.2	-31.2	-179.3	-68	-58.9	-62.9	0	0	113.4	L75 N208 V209 I215 K216 L355 L358	L75-M212 HydrophobicContact CD2-CE 3.71Å; L75-M212 HydrophobicContact CD2-SD 3.74Å; N208-M212 WeakPolarHBondContact O-CG 3.32Å; N208-M212 PolarHBondContact O-N 2.82Å; V209-M212 CarbonylContact O-C 3.49Å; V209-M212 PolarHBondContact O-N 3.04Å; V209-M212 VanDerWaalsContact O-N 3.13Å; M212-I215 WeakPolarHBondContact O-CG2 3.27Å; M212-K216 WeakPolarHBondContact O-CD 3.14Å; M212-K216 WeakPolarHBondContact O-CE 3.29Å; M212-K216 VanDerWaalsContact O-CG 3.28Å; M212-K216 WeakPolarHBondContact O-CG 3.48Å; M212-L355 HydrophobicContact CG-CD2 3.93Å; M212-L355 HydrophobicContact SD-CD2 4.13Å; M212-L358 HydrophobicContact CB-CD2 4.45Å; M212-L358 HydrophobicContact CG-CD2 3.86Å
213	E	96.5	Very high	96.5	Very high	4 Å²	4	15 Å²	15	2%	0.019	7%	0.068	C	C	.	.	H	α-helix	trans	-82.5	-34.8	176.5	-71.9	-60.6	117.2	0	0	112.1	V209 G210 F211 K216 R217 Y360 V362 I374	V209-E213 HydrophobicContact CG1-CG 4.04Å; V209-E213 WeakPolarHBondContact O-CB 3.32Å; V209-E213 WeakPolarHBondContact O-CG 3.42Å; V209-E213 PolarHBondContact O-N 3.36Å; G210-E213 PolarHBondContact O-N 3.25Å; F211-E213 PolarHBondContact O-N 3.11Å; E213-K216 PolarHBondContact O-N 3.48Å; E213-K216 IonicContact OE1-NZ 2.97Å; E213-K216 PolarHBondContact OE1-NZ 3.13Å; E213-R217 PolarHBondContact O-NH1 3.25Å; E213-R217 IonicContact OE2-CZ 3.37Å; E213-R217 IonicContact OE2-NH1 3.04Å; E213-R217 PolarHBondContact OE2-NH1 2.92Å; E213-R217 IonicContact OE2-NH2 3.99Å; E213-R217 PolarHBondContact OE2-NH2 3.27Å; E213-Y360 HydrophobicContact CG-CE2 4.05Å; E213-Y360 WeakPolarHBondContact OE1-CE2 3.38Å; E213-Y360 PolarHBondContact OE1-OH 2.92Å; E213-V362 HydrophobicContact CG-CG2 4.42Å; E213-I374 HydrophobicContact CB-CD1 3.59Å; E213-I374 HydrophobicContact CG-CD1 4.15Å; E213-I374 HydrophobicContact CG-CG2 4.46Å
214	A	97.1	Very high	96.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.3	-45.3	174.4	0	0	0	0	0	111	A158 F191 G210 F211 K216 R217 F218 F220	A158-A214 HydrophobicContact CB-CB 4.2Å; F191-A214 HydrophobicContact CD1-CB 4.39Å; F191-A214 HydrophobicContact CD2-CB 3.7Å; F191-A214 HydrophobicContact CE1-CB 4.27Å; F191-A214 HydrophobicContact CE2-CB 3.55Å; F191-A214 HydrophobicContact CG-CB 4.12Å; F191-A214 HydrophobicContact CZ-CB 3.85Å; G210-A214 WeakPolarHBondContact O-CB 3.31Å; G210-A214 PolarHBondContact O-N 3.47Å; F211-A214 PolarHBondContact O-N 2.65Å; A214-K216 PolarHBondContact O-N 2.63Å; A214-R217 PolarHBondContact O-N 3.24Å; A214-F218 PolarHBondContact O-N 3.15Å; A214-F220 HydrophobicContact CB-CE1 3.69Å; A214-F220 HydrophobicContact CB-CZ 4Å
215	I	93.4	Very high	96.7	Very high	23 Å²	23	13.8 Å²	13.8	12%	0.118	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.6	-176.9	-157.2	163.9	0	0	0	112.8	L75 Q84 F211 M212 R217 F220	L75-I215 HydrophobicContact CD1-CD1 4.27Å; L75-I215 HydrophobicContact CD2-CD1 3.98Å; L75-I215 HydrophobicContact CD2-CG2 3.72Å; Q84-I215 PolarHBondContact NE2-O 3.11Å; F211-I215 HydrophobicContact CZ-CD1 4.31Å; F211-I215 WeakPolarHBondContact O-CG2 3.21Å; F211-I215 PolarHBondContact O-N 3.14Å; M212-I215 WeakPolarHBondContact O-CG2 3.27Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-F220 HydrophobicContact CB-CE1 4.07Å; I215-F220 HydrophobicContact CB-CZ 4.14Å; I215-F220 HydrophobicContact CG1-CE1 4.45Å
216	K	93	Very high	96.7	Very high	44 Å²	44	13.2 Å²	13.2	19%	0.191	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.2	171.2	-66.1	168.6	-170.6	174.2	0	113.2	Y80 M212 E213 A214 Y360	Y80-K216 HydrophobicContact CD1-CB 4.38Å; Y80-K216 HydrophobicContact CD2-CB 4.12Å; Y80-K216 HydrophobicContact CD2-CD 3.99Å; Y80-K216 HydrophobicContact CD2-CG 3.67Å; Y80-K216 HydrophobicContact CE2-CD 4.14Å; Y80-K216 HydrophobicContact CE2-CG 4.33Å; Y80-K216 HydrophobicContact CG-CB 3.86Å; Y80-K216 HydrophobicContact CG-CG 3.94Å; M212-K216 WeakPolarHBondContact O-CD 3.14Å; M212-K216 WeakPolarHBondContact O-CE 3.29Å; M212-K216 VanDerWaalsContact O-CG 3.28Å; M212-K216 WeakPolarHBondContact O-CG 3.48Å; E213-K216 PolarHBondContact O-N 3.48Å; E213-K216 IonicContact OE1-NZ 2.97Å; E213-K216 PolarHBondContact OE1-NZ 3.13Å; A214-K216 PolarHBondContact O-N 2.63Å; K216-Y360 PolarHBondContact NZ-OH 3.18Å
217	R	94.4	Very high	96.7	Very high	50 Å²	50	14.7 Å²	14.7	19%	0.189	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-29.8	-165.5	-70.4	173.7	-179.4	73.6	-5.6	114	Q85 F191 E213 A214 I215	Q85-R217 VanDerWaalsContact CB-O 3.31Å; Q85-R217 WeakPolarHBondContact CB-O 3.3Å; Q85-R217 PolarHBondContact N-O 3.23Å; F191-R217 HydrophobicContact CE1-CB 4.2Å; F191-R217 HydrophobicContact CZ-CB 4.35Å; E213-R217 PolarHBondContact O-NH1 3.25Å; E213-R217 IonicContact OE2-CZ 3.37Å; E213-R217 IonicContact OE2-NH1 3.04Å; E213-R217 PolarHBondContact OE2-NH1 2.92Å; E213-R217 IonicContact OE2-NH2 3.99Å; E213-R217 PolarHBondContact OE2-NH2 3.27Å; A214-R217 PolarHBondContact O-N 3.24Å; I215-R217 VanDerWaalsContact C-N 3.3Å
218	F	95	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-140.6	136.2	-172.4	-179	-125.5	0	0	0	110.1	Q85 I90 S156 R189 F191 A214 F220	Q85-F218 HydrophobicContact CB-CD2 4.44Å; Q85-F218 WeakPolarHBondContact O-CA 3.45Å; Q85-F218 WeakPolarHBondContact O-CD2 3.37Å; I90-F218 HydrophobicContact CD1-CD2 4.11Å; I90-F218 HydrophobicContact CD1-CE2 3.49Å; I90-F218 VanDerWaalsContact CD1-CE2 3.49Å; I90-F218 HydrophobicContact CD1-CZ 4.2Å; S156-F218 VanDerWaalsContact CB-CZ 3.41Å; R189-F218 HydrophobicContact CB-CB 4.45Å; R189-F218 HydrophobicContact CB-CD1 3.63Å; R189-F218 HydrophobicContact CB-CD2 4.34Å; R189-F218 HydrophobicContact CB-CE1 3.86Å; R189-F218 HydrophobicContact CB-CG 3.9Å; R189-F218 HydrophobicContact CB-CZ 4.34Å; F191-F218 HydrophobicContact CE2-CB 4.4Å; F191-F218 HydrophobicContact CZ-CB 3.98Å; A214-F218 PolarHBondContact O-N 3.15Å; F218-F220 HydrophobicContact CD1-CB 3.94Å; F218-F220 HydrophobicContact CD1-CD1 4.02Å; F218-F220 HydrophobicContact CD1-CG 4.42Å; F218-F220 HydrophobicContact CE1-CB 3.95Å; F218-F220 WeakPolarHBondContact O-CD1 3.28Å
219	H	92.7	Very high	96.5	Very high	74 Å²	74	16 Å²	16	34%	0.343	8%	0.077	S	C	.	.			trans	-79.7	118.4	171	-174.4	80.7	0	0	0	109.1	Q84 Q85 S156	Q84-H219 HydrophobicContact CB-CB 4.18Å; Q84-H219 PolarHBondContact OE1-ND1 2.72Å; Q84-H219 VanDerWaalsContact OE1-ND1 3.17Å; Q85-H219 PolarHBondContact O-N 3.29Å; S156-H219 VanDerWaalsContact CB-O 3.29Å; S156-H219 WeakPolarHBondContact CB-O 3.43Å; S156-H219 PolarHBondContact OG-O 2.87Å
220	F	94.3	Very high	96.4	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.031	8%	0.079	C	C	.	.			trans	-142.9	153.1	177.5	61.2	-87.6	0	0	0	111.2	S156 A158 F211 A214 I215 F218 C222 V223 N277	S156-F220 WeakPolarHBondContact O-CB 3.47Å; S156-F220 WeakPolarHBondContact OG-CA 2.96Å; A158-F220 HydrophobicContact CB-CB 4.22Å; A158-F220 HydrophobicContact CB-CD1 3.64Å; A158-F220 HydrophobicContact CB-CD2 3.71Å; A158-F220 HydrophobicContact CB-CE1 3.83Å; A158-F220 HydrophobicContact CB-CE2 3.87Å; A158-F220 HydrophobicContact CB-CG 3.58Å; A158-F220 HydrophobicContact CB-CZ 3.94Å; F211-F220 HydrophobicContact CD2-CE2 4.22Å; F211-F220 HydrophobicContact CD2-CZ 4.2Å; F211-F220 AromaticContact CE2-CE2 3.98Å; F211-F220 HydrophobicContact CE2-CE2 3.98Å; F211-F220 HydrophobicContact CE2-CZ 4.17Å; A214-F220 HydrophobicContact CB-CE1 3.69Å; A214-F220 HydrophobicContact CB-CZ 4Å; I215-F220 HydrophobicContact CB-CE1 4.07Å; I215-F220 HydrophobicContact CB-CZ 4.14Å; I215-F220 HydrophobicContact CG1-CE1 4.45Å; F218-F220 HydrophobicContact CD1-CB 3.94Å; F218-F220 HydrophobicContact CD1-CD1 4.02Å; F218-F220 HydrophobicContact CD1-CG 4.42Å; F218-F220 HydrophobicContact CE1-CB 3.95Å; F218-F220 WeakPolarHBondContact O-CD1 3.28Å; F220-C222 WeakPolarHBondContact CD2-O 3.2Å; F220-V223 HydrophobicContact CE2-CB 4.09Å; F220-N277 WeakPolarHBondContact CD2-ND2 3.48Å; F220-N277 VanDerWaalsContact CD2-OD1 3.27Å; F220-N277 WeakPolarHBondContact CD2-OD1 3.41Å; F220-N277 WeakPolarHBondContact CE2-OD1 3.43Å; F220-N277 PolarHBondContact O-ND2 3.27Å
221	D	94.2	Very high	96.4	Very high	48 Å²	48	16.4 Å²	16.4	26%	0.257	8%	0.079	S	C	.	.	S	Bend	trans	-98	-26.8	-177.7	-54	-85.6	0	0	0	112.7	I155 S156 F246 N277	I155-D221 WeakPolarHBondContact CA-OD2 3.31Å; I155-D221 HydrophobicContact CG2-CB 4.36Å; S156-D221 PolarHBondContact N-OD2 2.6Å; S156-D221 PolarHBondContact O-N 3.02Å; D221-F246 HydrophobicContact CB-CE1 3.99Å; D221-F246 HydrophobicContact CB-CZ 3.82Å; D221-N277 PolarHBondContact O-N 3.26Å; D221-N277 PolarHBondContact O-OD1 3.36Å
222	C	97.6	Very high	96.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.2	176.1	75.9	0	0	0	0	112.2	V157 A158 F220 C241 T245 M275	V157-C222 WeakPolarHBondContact CA-O 3.47Å; A158-C222 PolarHBondContact N-O 2.84Å; F220-C222 WeakPolarHBondContact CD2-O 3.2Å; C222-C241 HydrophobicContact CB-CB 3.62Å; C222-C241 WeakPolarHBondContact CB-SG 3.19Å; C222-C241 PolarHBondContact N-SG 3.19Å; C222-C241 VanDerWaalsContact N-SG 3.35Å; C222-C241 WeakPolarHBondContact SG-CA 3.39Å; C222-C241 WeakPolarHBondContact SG-CB 3.28Å; C222-C241 CovalentContact SG-SG 2.01Å; C222-C241 PolarHBondContact SG-SG 3.45Å; C222-T245 HydrophobicContact CB-CG2 3.58Å; C222-M275 WeakPolarHBondContact CA-O 3.39Å; C222-M275 VanDerWaalsContact CB-O 3.29Å; C222-M275 WeakPolarHBondContact CB-O 3.46Å
223	V	98.7	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.1	178.3	57.3	0	0	0	0	109.8	A158 V160 F211 F220 F225 K274 M275	A158-V223 CarbonylContact O-C 3.59Å; A158-V223 VanDerWaalsContact O-CA 3.31Å; A158-V223 WeakPolarHBondContact O-CA 2.93Å; V160-V223 HydrophobicContact CB-CG2 4.25Å; V160-V223 HydrophobicContact CG2-CG2 3.72Å; F211-V223 HydrophobicContact CD2-CB 4.38Å; F211-V223 HydrophobicContact CD2-CG1 4.06Å; F211-V223 HydrophobicContact CE2-CG1 4.34Å; F220-V223 HydrophobicContact CE2-CB 4.09Å; V223-F225 HydrophobicContact CB-CE2 4.48Å; V223-F225 HydrophobicContact CB-CZ 4.23Å; V223-F225 HydrophobicContact CG1-CD2 4.28Å; V223-F225 HydrophobicContact CG1-CE1 4.24Å; V223-F225 HydrophobicContact CG1-CE2 3.48Å; V223-F225 VanDerWaalsContact CG1-CE2 3.48Å; V223-F225 HydrophobicContact CG1-CZ 3.45Å; V223-F225 VanDerWaalsContact CG1-CZ 3.45Å; V223-F225 HydrophobicContact CG2-CD1 3.97Å; V223-F225 HydrophobicContact CG2-CE1 3.59Å; V223-F225 HydrophobicContact CG2-CE2 4.2Å; V223-F225 HydrophobicContact CG2-CG 4.43Å; V223-F225 HydrophobicContact CG2-CZ 3.72Å; V223-K274 CarbonylContact O-C 3.53Å; V223-K274 WeakPolarHBondContact O-CA 3.49Å; V223-M275 HydrophobicContact CG1-CG 4.2Å; V223-M275 PolarHBondContact N-O 3.16Å; V223-M275 PolarHBondContact O-N 3.4Å
224	V	98.9	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.2	165.4	-176.3	0	0	0	0	107.9	V157 A158 I159 V160 Y239 L252 V272 L273 K274	V157-V224 HydrophobicContact CG2-CG2 3.74Å; A158-V224 PolarHBondContact O-N 3.45Å; I159-V224 HydrophobicContact CD1-CB 3.7Å; I159-V224 HydrophobicContact CD1-CG2 3.69Å; V160-V224 PolarHBondContact N-O 3.47Å; V224-Y239 HydrophobicContact CG1-CD1 4.13Å; V224-Y239 HydrophobicContact CG1-CE1 3.92Å; V224-Y239 HydrophobicContact CG2-CD1 4.17Å; V224-L252 HydrophobicContact CG1-CD1 4.21Å; V224-V272 HydrophobicContact CG1-CG1 3.48Å; V224-V272 VanDerWaalsContact CG1-CG1 3.48Å; V224-L273 CarbonylContact C-O 3.58Å; V224-L273 WeakPolarHBondContact CA-O 3.49Å; V224-K274 HydrophobicContact CG2-CB 3.97Å; V224-K274 HydrophobicContact CG2-CD 4.22Å; V224-K274 HydrophobicContact CG2-CG 3.87Å
225	F	98.9	Very high	96.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.3	169	-59.9	-64.6	0	0	0	108.9	V160 F207 F211 V223 V272 L273 M275 F280	V160-F225 HydrophobicContact CB-CD1 4.07Å; V160-F225 HydrophobicContact CB-CE1 4.4Å; V160-F225 HydrophobicContact CG1-CD1 4.25Å; F207-F225 HydrophobicContact CB-CD1 3.58Å; F207-F225 HydrophobicContact CB-CE1 3.84Å; F207-F225 HydrophobicContact CB-CG 4.28Å; F207-F225 HydrophobicContact CD1-CB 3.85Å; F207-F225 AromaticContact CD1-CD1 3.52Å; F207-F225 HydrophobicContact CD1-CD1 3.52Å; F207-F225 HydrophobicContact CD1-CE1 4.49Å; F207-F225 HydrophobicContact CD1-CG 4.08Å; F207-F225 HydrophobicContact CD2-CB 4.06Å; F207-F225 HydrophobicContact CD2-CD1 4.35Å; F207-F225 HydrophobicContact CD2-CG 4.34Å; F207-F225 HydrophobicContact CE1-CB 3.77Å; F207-F225 HydrophobicContact CE1-CD1 4.26Å; F207-F225 HydrophobicContact CE1-CG 4.49Å; F207-F225 HydrophobicContact CE2-CB 3.97Å; F207-F225 HydrophobicContact CG-CB 4Å; F207-F225 AromaticContact CG-CD1 3.58Å; F207-F225 HydrophobicContact CG-CD1 3.58Å; F207-F225 HydrophobicContact CG-CE1 4.35Å; F207-F225 HydrophobicContact CG-CG 4Å; F207-F225 HydrophobicContact CZ-CB 3.85Å; F211-F225 HydrophobicContact CB-CE1 4.28Å; F211-F225 HydrophobicContact CB-CZ 4.35Å; F211-F225 HydrophobicContact CD2-CZ 4.44Å; V223-F225 HydrophobicContact CB-CE2 4.48Å; V223-F225 HydrophobicContact CB-CZ 4.23Å; V223-F225 HydrophobicContact CG1-CD2 4.28Å; V223-F225 HydrophobicContact CG1-CE1 4.24Å; V223-F225 HydrophobicContact CG1-CE2 3.48Å; V223-F225 VanDerWaalsContact CG1-CE2 3.48Å; V223-F225 HydrophobicContact CG1-CZ 3.45Å; V223-F225 VanDerWaalsContact CG1-CZ 3.45Å; V223-F225 HydrophobicContact CG2-CD1 3.97Å; V223-F225 HydrophobicContact CG2-CE1 3.59Å; V223-F225 HydrophobicContact CG2-CE2 4.2Å; V223-F225 HydrophobicContact CG2-CG 4.43Å; V223-F225 HydrophobicContact CG2-CZ 3.72Å; F225-V272 CarbonylContact O-C 3.54Å; F225-V272 VanDerWaalsContact O-CA 3.28Å; F225-V272 WeakPolarHBondContact O-CA 3.49Å; F225-L273 PolarHBondContact N-O 3.47Å; F225-L273 PolarHBondContact O-N 2.9Å; F225-M275 HydrophobicContact CD2-SD 4.46Å; F225-M275 HydrophobicContact CE2-CG 4.15Å; F225-M275 HydrophobicContact CE2-SD 4Å; F225-F280 HydrophobicContact CD2-CE2 4.4Å; F225-F280 HydrophobicContact CE1-CE1 4.34Å; F225-F280 HydrophobicContact CE1-CE2 4.38Å; F225-F280 HydrophobicContact CE1-CZ 4.03Å; F225-F280 HydrophobicContact CE2-CD1 4.43Å; F225-F280 AromaticContact CE2-CD2 3.51Å; F225-F280 HydrophobicContact CE2-CD2 3.51Å; F225-F280 HydrophobicContact CE2-CE1 4.36Å; F225-F280 AromaticContact CE2-CE2 3.41Å; F225-F280 HydrophobicContact CE2-CE2 3.41Å; F225-F280 VanDerWaalsContact CE2-CE2 3.41Å; F225-F280 HydrophobicContact CE2-CG 4.02Å; F225-F280 AromaticContact CE2-CZ 3.87Å; F225-F280 HydrophobicContact CE2-CZ 3.87Å; F225-F280 AromaticContact CZ-CD1 3.87Å; F225-F280 HydrophobicContact CZ-CD1 3.87Å; F225-F280 AromaticContact CZ-CD2 3.72Å; F225-F280 HydrophobicContact CZ-CD2 3.72Å; F225-F280 AromaticContact CZ-CE1 3.56Å; F225-F280 HydrophobicContact CZ-CE1 3.56Å; F225-F280 AromaticContact CZ-CE2 3.39Å; F225-F280 HydrophobicContact CZ-CE2 3.39Å; F225-F280 AromaticContact CZ-CG 3.94Å; F225-F280 HydrophobicContact CZ-CG 3.94Å; F225-F280 AromaticContact CZ-CZ 3.3Å; F225-F280 HydrophobicContact CZ-CZ 3.3Å
226	H	98.8	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.2	-164.4	-164.5	-64.8	0	0	0	111.7	V160 I161 A162 L230 Y239 V272 Y321	V160-H226 PolarHBondContact O-N 2.94Å; I161-H226 WeakPolarHBondContact CA-O 3.48Å; I161-H226 HydrophobicContact CG1-CB 4.19Å; A162-H226 PolarHBondContact N-O 2.93Å; H226-L230 PolarHBondContact CE1-O 2.95Å; H226-Y239 AromaticContact CD2-CE1 3.71Å; H226-Y239 AromaticContact CD2-CZ 3.83Å; H226-Y239 PolarHBondContact CD2-OH 3.33Å; H226-Y239 AromaticContact NE2-CZ 3.88Å; H226-Y239 PolarHBondContact NE2-OH 2.96Å; H226-V272 HydrophobicContact CB-CG1 4.37Å; H226-Y321 AromaticContact NE2-CE1 3.97Å
227	D	98	Very high	96.9	Very high	32 Å²	32	17.4 Å²	17.4	17%	0.171	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.5	173.3	-69	3.4	0	0	0	110.8	R203 D229 L230 G271	R203-D227 IonicContact CZ-OD1 2.63Å; R203-D227 VanDerWaalsContact CZ-OD1 3.32Å; R203-D227 IonicContact NE-OD1 3.34Å; R203-D227 PolarHBondContact NE-OD1 3.04Å; R203-D227 IonicContact NE-OD2 3.96Å; R203-D227 IonicContact NH2-OD1 3.2Å; R203-D227 PolarHBondContact NH2-OD1 3.19Å; R203-D227 IonicContact NH2-OD2 3.65Å; D227-D229 PolarHBondContact O-N 2.78Å; D227-D229 VanDerWaalsContact O-N 3.1Å; D227-L230 HydrophobicContact CB-CD1 4.07Å; D227-L230 HydrophobicContact CB-CG 4.11Å; D227-G271 WeakPolarHBondContact CB-O 3.39Å; D227-G271 PolarHBondContact N-O 3.07Å; D227-G271 VanDerWaalsContact OD2-CA 3.28Å; D227-G271 WeakPolarHBondContact OD2-CA 3.21Å
228	A	97.2	Very high	96.9	Very high	6 Å²	6	16.4 Å²	16.4	5%	0.05	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.6	-174.4	0	0	0	0	0	115.1	I161 A162 F163 R166 Q169 L170 V173	I161-A228 HydrophobicContact CG2-CB 3.8Å; A162-A228 WeakPolarHBondContact O-CB 3.28Å; F163-A228 HydrophobicContact CD2-CB 4.06Å; R166-A228 HydrophobicContact CB-CB 4.12Å; Q169-A228 CarbonylContact C-O 3.47Å; Q169-A228 WeakPolarHBondContact CB-O 3.41Å; L170-A228 PolarHBondContact N-O 3.41Å; V173-A228 VanDerWaalsContact CG2-O 3.24Å; V173-A228 WeakPolarHBondContact CG2-O 3.36Å
229	D	96.2	Very high	97	Very high	22 Å²	22	16.4 Å²	16.4	12%	0.118	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	14.1	-174.2	57.2	9.7	0	0	0	114.5	R166 Q169 D227 L324 H326	R166-D229 IonicContact CZ-OD2 2.63Å; R166-D229 IonicContact NH1-OD2 3.67Å; R166-D229 PolarHBondContact NH1-OD2 3.03Å; Q169-D229 HydrophobicContact CB-CB 4.11Å; Q169-D229 HydrophobicContact CG-CB 4.08Å; D227-D229 PolarHBondContact O-N 2.78Å; D227-D229 VanDerWaalsContact O-N 3.1Å; D229-L324 HydrophobicContact CB-CB 4.17Å; D229-L324 WeakPolarHBondContact O-CB 3.32Å; D229-L324 WeakPolarHBondContact O-CG 3.5Å; D229-L324 PolarHBondContact O-N 2.8Å; D229-H326 IonicContact OD2-CD2 3.87Å; D229-H326 PolarHBondContact OD2-CD2 2.74Å; D229-H326 IonicContact OD2-CG 2.73Å; D229-H326 IonicContact OD2-NE2 3Å; D229-H326 PolarHBondContact OD2-NE2 3.29Å
230	L	98	Very high	97.1	Very high	7 Å²	7	13.5 Å²	13.5	4%	0.037	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	97.1	177.5	-61.2	-175	0	0	0	111.4	H226 D227 P232 L256 G271 V272 Y321 A323	H226-L230 PolarHBondContact CE1-O 2.95Å; D227-L230 HydrophobicContact CB-CD1 4.07Å; D227-L230 HydrophobicContact CB-CG 4.11Å; L230-P232 WeakPolarHBondContact O-CD 3.43Å; L230-L256 HydrophobicContact CD1-CD2 4.2Å; L230-L256 HydrophobicContact CD2-CD1 3.82Å; L230-L256 HydrophobicContact CD2-CD2 3.75Å; L230-L256 HydrophobicContact CD2-CG 4.48Å; L230-G271 VanDerWaalsContact CD1-CA 3.45Å; L230-V272 HydrophobicContact CB-CG2 4.36Å; L230-V272 HydrophobicContact CD1-CG2 3.98Å; L230-Y321 HydrophobicContact CB-CD1 3.65Å; L230-Y321 HydrophobicContact CB-CE1 4.27Å; L230-Y321 HydrophobicContact CB-CG 4.26Å; L230-Y321 WeakPolarHBondContact O-CD1 3.34Å; L230-A323 HydrophobicContact CD2-CB 4.17Å
231	A	98.4	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.8	177.4	0	0	0	0	0	110.5	L117 V173 T176 I233 Y321 K322 L324	L117-A231 HydrophobicContact CD2-CB 3.75Å; V173-A231 HydrophobicContact CG2-CB 4.38Å; T176-A231 WeakPolarHBondContact OG1-CB 3.44Å; A231-I233 PolarHBondContact O-N 2.94Å; A231-Y321 CarbonylContact O-C 3.58Å; A231-Y321 VanDerWaalsContact O-CA 3.28Å; A231-Y321 WeakPolarHBondContact O-CA 3.16Å; A231-K322 HydrophobicContact CB-CB 4.34Å; A231-K322 PolarHBondContact N-O 3.38Å; A231-K322 PolarHBondContact O-N 3.44Å; A231-L324 HydrophobicContact CB-CD1 4.44Å
232	P	98.3	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.2	177.9	27.8	-34.7	0	0	0	110.8	T176 L177 M180 L230 Y321	T176-P232 WeakPolarHBondContact CB-O 3.34Å; T176-P232 WeakPolarHBondContact OG1-CD 3.46Å; T176-P232 PolarHBondContact OG1-O 2.82Å; L177-P232 HydrophobicContact CB-CG 4.06Å; L177-P232 HydrophobicContact CD1-CG 4.12Å; M180-P232 HydrophobicContact CE-CB 3.73Å; M180-P232 HydrophobicContact CE-CG 3.57Å; M180-P232 HydrophobicContact SD-CB 3.69Å; M180-P232 HydrophobicContact SD-CG 3.99Å; L230-P232 WeakPolarHBondContact O-CD 3.43Å; P232-Y321 HydrophobicContact CB-CD1 4.12Å; P232-Y321 HydrophobicContact CB-CE1 3.8Å; P232-Y321 HydrophobicContact CG-CE1 4.47Å
233	I	97.4	Very high	96.8	Very high	21 Å²	21	20.3 Å²	20.3	11%	0.108	11%	0.107	C	C	.	.			trans	-119.3	18.2	-176.9	60.8	170.7	0	0	0	113	N110 I111 V113 A231 F261 R320 K322	N110-I233 WeakPolarHBondContact CA-O 3.4Å; I111-I233 PolarHBondContact N-O 2.89Å; V113-I233 HydrophobicContact CB-CG2 4.42Å; V113-I233 HydrophobicContact CG1-CG2 3.8Å; V113-I233 HydrophobicContact CG2-CG2 3.71Å; A231-I233 PolarHBondContact O-N 2.94Å; I233-F261 HydrophobicContact CD1-CE1 4.06Å; I233-F261 HydrophobicContact CD1-CZ 4.14Å; I233-R320 HydrophobicContact CD1-CB 4.3Å; I233-R320 HydrophobicContact CG1-CB 3.78Å; I233-R320 WeakPolarHBondContact CG1-O 3.44Å; I233-R320 PolarHBondContact N-O 3.46Å; I233-K322 HydrophobicContact CG2-CB 3.83Å
234	N	97.6	Very high	96.6	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.027	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-146.3	118.1	168.7	-178.6	-21.7	0	0	0	108.7	G109 N110 L236 N237 S317 I318 R320	G109-N234 WeakPolarHBondContact CA-OD1 3.33Å; G109-N234 VanDerWaalsContact O-CA 3.32Å; G109-N234 WeakPolarHBondContact O-CA 3.48Å; G109-N234 PolarHBondContact O-OD1 2.81Å; N110-N234 PolarHBondContact OD1-ND2 2.81Å; N234-L236 VanDerWaalsContact C-N 3.25Å; N234-L236 PolarHBondContact O-N 3.22Å; N234-L236 VanDerWaalsContact OD1-CB 3.3Å; N234-L236 WeakPolarHBondContact OD1-CB 2.89Å; N234-L236 PolarHBondContact OD1-N 3.04Å; N234-N237 VanDerWaalsContact O-CB 3.26Å; N234-N237 WeakPolarHBondContact O-CB 3.47Å; N234-N237 PolarHBondContact O-N 2.84Å; N234-S317 PolarHBondContact ND2-O 3.16Å; N234-I318 WeakPolarHBondContact CB-O 3.35Å; N234-R320 HydrophobicContact CB-CB 4.29Å
235	D	95.4	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.1	-174.1	63.5	20	0	0	0	115	P107 I108 G109 I111 M180 R183 Q184	P107-D235 WeakPolarHBondContact CA-OD1 3.43Å; P107-D235 VanDerWaalsContact CB-OD1 3.31Å; P107-D235 WeakPolarHBondContact CB-OD1 3.45Å; I108-D235 WeakPolarHBondContact CG1-OD2 3.37Å; I108-D235 PolarHBondContact N-OD1 3.33Å; I108-D235 PolarHBondContact N-OD2 3.44Å; G109-D235 WeakPolarHBondContact CA-OD1 3.4Å; G109-D235 PolarHBondContact N-OD1 3.4Å; G109-D235 PolarHBondContact O-N 3.38Å; I111-D235 HydrophobicContact CD1-CB 4.29Å; M180-D235 HydrophobicContact CB-CB 3.96Å; M180-D235 HydrophobicContact CG-CB 3.62Å; M180-D235 HydrophobicContact SD-CB 4.4Å; R183-D235 IonicContact CZ-OD2 3.26Å; R183-D235 VanDerWaalsContact CZ-OD2 3.24Å; R183-D235 IonicContact NE-OD2 2.61Å; R183-D235 PolarHBondContact NE-OD2 2.97Å; R183-D235 IonicContact NH2-OD2 3.27Å; R183-D235 PolarHBondContact NH2-OD2 2.99Å; Q184-D235 PolarHBondContact NE2-O 3.11Å
236	L	96.4	Very high	96.2	Very high	92 Å²	92	27 Å²	27	48%	0.482	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10	164.7	-61.5	170.7	0	0	0	111.9	P107 N234 P238 I318	P107-L236 HydrophobicContact CB-CD2 3.82Å; N234-L236 VanDerWaalsContact C-N 3.25Å; N234-L236 PolarHBondContact O-N 3.22Å; N234-L236 VanDerWaalsContact OD1-CB 3.3Å; N234-L236 WeakPolarHBondContact OD1-CB 2.89Å; N234-L236 PolarHBondContact OD1-N 3.04Å; L236-P238 VanDerWaalsContact O-CD 3.28Å; L236-P238 WeakPolarHBondContact O-CD 3.46Å; L236-I318 VanDerWaalsContact C-CG2 3.44Å; L236-I318 HydrophobicContact CB-CG2 4Å; L236-I318 WeakPolarHBondContact O-CG2 3.21Å
237	N	97.4	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-66	110.1	175.8	-168.4	9	0	0	0	110.3	M180 Q184 N234 Y239 L252 I318 Y321	M180-N237 HydrophobicContact SD-CB 4.46Å; Q184-N237 PolarHBondContact NE2-O 3.42Å; N234-N237 VanDerWaalsContact O-CB 3.26Å; N234-N237 WeakPolarHBondContact O-CB 3.47Å; N234-N237 PolarHBondContact O-N 2.84Å; N237-Y239 WeakPolarHBondContact O-CD2 3.45Å; N237-Y239 PolarHBondContact O-N 3.47Å; N237-Y239 VanDerWaalsContact O-N 3.12Å; N237-L252 VanDerWaalsContact OD1-CD2 3.3Å; N237-L252 WeakPolarHBondContact OD1-CD2 3.21Å; N237-I318 HydrophobicContact CB-CG2 4.25Å; N237-Y321 WeakPolarHBondContact ND2-CE2 3.38Å; N237-Y321 VanDerWaalsContact ND2-CZ 3.31Å; N237-Y321 PolarHBondContact ND2-OH 3.25Å
238	P	95.8	Very high	96.2	Very high	29 Å²	29	32.4 Å²	32.4	19%	0.188	16%	0.164	C	C	.	.			trans	-81.3	103	-159.6	30.6	-34.2	0	0	0	111.7	L236 L252 K274 M314	L236-P238 VanDerWaalsContact O-CD 3.28Å; L236-P238 WeakPolarHBondContact O-CD 3.46Å; P238-L252 HydrophobicContact CG-CD2 4.42Å; P238-K274 WeakPolarHBondContact O-CE 3.23Å; P238-K274 PolarHBondContact O-NZ 2.79Å; P238-M314 HydrophobicContact CG-CE 3.33Å; P238-M314 HydrophobicContact CG-SD 4.37Å
239	Y	97.5	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.			trans	-87	-15.5	179.1	-90.3	-124.5	0	0	0	113.3	I159 L177 M180 L181 V224 H226 N237 L252 Y321	I159-Y239 HydrophobicContact CD1-CD1 3.86Å; L177-Y239 HydrophobicContact CD1-CD1 3.9Å; L177-Y239 HydrophobicContact CD1-CE1 3.38Å; M180-Y239 HydrophobicContact CE-CD1 4.05Å; M180-Y239 HydrophobicContact CE-CD2 3.36Å; M180-Y239 HydrophobicContact CE-CE1 3.98Å; M180-Y239 HydrophobicContact CE-CE2 3.28Å; M180-Y239 HydrophobicContact CE-CG 3.75Å; M180-Y239 HydrophobicContact SD-CD2 4.39Å; M180-Y239 HydrophobicContact SD-CE2 4.36Å; L181-Y239 HydrophobicContact CD2-CD1 3.63Å; L181-Y239 HydrophobicContact CD2-CG 3.84Å; V224-Y239 HydrophobicContact CG1-CD1 4.13Å; V224-Y239 HydrophobicContact CG1-CE1 3.92Å; V224-Y239 HydrophobicContact CG2-CD1 4.17Å; H226-Y239 AromaticContact CD2-CE1 3.71Å; H226-Y239 AromaticContact CD2-CZ 3.83Å; H226-Y239 PolarHBondContact CD2-OH 3.33Å; H226-Y239 AromaticContact NE2-CZ 3.88Å; H226-Y239 PolarHBondContact NE2-OH 2.96Å; N237-Y239 WeakPolarHBondContact O-CD2 3.45Å; N237-Y239 PolarHBondContact O-N 3.47Å; N237-Y239 VanDerWaalsContact O-N 3.12Å; Y239-L252 HydrophobicContact CD2-CD1 3.81Å; Y239-L252 HydrophobicContact CE2-CD1 3.8Å; Y239-L252 HydrophobicContact CG-CD1 4.33Å; Y239-Y321 VanDerWaalsContact CE2-OH 3.3Å; Y239-Y321 WeakPolarHBondContact CE2-OH 3.36Å; Y239-Y321 VanDerWaalsContact OH-CE1 3.3Å; Y239-Y321 WeakPolarHBondContact OH-CE1 3.32Å; Y239-Y321 PolarHBondContact OH-OH 2.99Å
240	G	94.5	Very high	96.4	Very high	13 Å²	13	31 Å²	31	13%	0.134	16%	0.156	C	C	.	.	S	Bend	trans	-73.5	160.5	177	0	0	0	0	0	113.8	L186 D242 K274	L186-G240 VanDerWaalsContact CD2-CA 3.47Å; G240-D242 VanDerWaalsContact C-N 3.34Å; G240-D242 PolarHBondContact O-N 3.02Å; G240-K274 WeakPolarHBondContact O-CD 3.43Å; G240-K274 PolarHBondContact O-NZ 3.13Å
241	C	94.8	Very high	96.4	Very high	10 Å²	10	30.7 Å²	30.7	7%	0.068	16%	0.155	C	C	.	.			trans	-79.1	84.3	173.5	-28.3	0	0	0	0	110.5	I155 S156 C222 T245 F246	I155-C241 WeakPolarHBondContact CD1-O 3.5Å; I155-C241 HydrophobicContact CG2-CB 3.33Å; I155-C241 VanDerWaalsContact CG2-SG 3.55Å; S156-C241 PolarHBondContact O-SG 3.39Å; C222-C241 HydrophobicContact CB-CB 3.62Å; C222-C241 WeakPolarHBondContact CB-SG 3.19Å; C222-C241 PolarHBondContact N-SG 3.19Å; C222-C241 VanDerWaalsContact N-SG 3.35Å; C222-C241 WeakPolarHBondContact SG-CA 3.39Å; C222-C241 WeakPolarHBondContact SG-CB 3.28Å; C222-C241 CovalentContact SG-SG 2.01Å; C222-C241 PolarHBondContact SG-SG 3.45Å; C241-T245 HydrophobicContact CB-CG2 4.37Å; C241-F246 HydrophobicContact CB-CE2 3.87Å; C241-F246 HydrophobicContact CB-CZ 3.75Å
242	D	91.2	Very high	96.4	Very high	54 Å²	54	30.7 Å²	30.7	29%	0.289	16%	0.155	S	C	.	.			trans	-77.5	175.6	173	56.5	48.1	0	0	0	111.9	G240 Q244 T245 F246 K274	G240-D242 VanDerWaalsContact C-N 3.34Å; G240-D242 PolarHBondContact O-N 3.02Å; D242-Q244 PolarHBondContact O-N 3.16Å; D242-Q244 WeakPolarHBondContact OD1-CA 3.35Å; D242-Q244 WeakPolarHBondContact OD1-CB 2.83Å; D242-Q244 PolarHBondContact OD1-N 3.19Å; D242-T245 WeakPolarHBondContact O-CB 3.46Å; D242-T245 PolarHBondContact O-N 3.48Å; D242-T245 VanDerWaalsContact O-N 3.16Å; D242-T245 PolarHBondContact OD1-N 2.69Å; D242-T245 PolarHBondContact OD1-OG1 3.27Å; D242-F246 WeakPolarHBondContact O-CD2 3.5Å; D242-K274 IonicContact OD1-NZ 2.67Å; D242-K274 IonicContact OD2-NZ 3.18Å; D242-K274 PolarHBondContact OD2-NZ 3.45Å
243	K	92.4	Very high	96.3	Very high	133 Å²	133	30.8 Å²	30.8	58%	0.578	16%	0.155	S	C	*	.	H	α-helix	trans	-55	-34.5	176.4	-68.5	-179.6	-177.7	174.2	0	112.3	Y152 F246 I247	Y152-K243 HydrophobicContact CE2-CG 4.08Å; K243-F246 PolarHBondContact O-N 3.22Å; K243-I247 WeakPolarHBondContact O-CG1 3.06Å; K243-I247 PolarHBondContact O-N 2.88Å
244	Q	94.6	Very high	96.3	Very high	68 Å²	68	30.1 Å²	30.1	32%	0.318	15%	0.152	S	C	.	.	H	α-helix	trans	-65.7	-41.4	-178.8	-169.4	64.3	59.9	0	0	110.8	D242 F246 I247 Q248 V250 Y312	D242-Q244 PolarHBondContact O-N 3.16Å; D242-Q244 WeakPolarHBondContact OD1-CA 3.35Å; D242-Q244 WeakPolarHBondContact OD1-CB 2.83Å; D242-Q244 PolarHBondContact OD1-N 3.19Å; Q244-F246 PolarHBondContact O-N 3.25Å; Q244-I247 PolarHBondContact O-N 3.03Å; Q244-Q248 PolarHBondContact O-N 2.95Å; Q244-V250 HydrophobicContact CB-CG2 4.32Å; Q244-V250 HydrophobicContact CG-CG2 3.86Å; Q244-Y312 HydrophobicContact CG-CD1 4.36Å
245	T	95.6	Very high	96.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.8	-34.5	177.5	-54.4	0	0	0	0	113.7	C222 C241 D242 Q248 K274 H279	C222-T245 HydrophobicContact CB-CG2 3.58Å; C241-T245 HydrophobicContact CB-CG2 4.37Å; D242-T245 WeakPolarHBondContact O-CB 3.46Å; D242-T245 PolarHBondContact O-N 3.48Å; D242-T245 VanDerWaalsContact O-N 3.16Å; D242-T245 PolarHBondContact OD1-N 2.69Å; D242-T245 PolarHBondContact OD1-OG1 3.27Å; T245-Q248 CarbonylContact C-O 3.58Å; T245-Q248 WeakPolarHBondContact CA-O 3.41Å; T245-K274 HydrophobicContact CG2-CD 4.33Å; T245-K274 HydrophobicContact CG2-CG 4Å; T245-K274 WeakPolarHBondContact OG1-CE 3.32Å; T245-K274 PolarHBondContact OG1-NZ 3.26Å; T245-H279 PolarHBondContact O-CE1 2.86Å
246	F	95.7	Very high	96.1	Very high	76 Å²	76	30.3 Å²	30.3	33%	0.333	15%	0.153	S	C	.	.	H	α-helix	trans	-84.2	-17.3	178.8	-61.3	-73.8	0	0	0	113.4	I155 D221 C241 D242 K243 Q244 H279	I155-F246 HydrophobicContact CD1-CE2 3.73Å; I155-F246 HydrophobicContact CD1-CZ 3.95Å; D221-F246 HydrophobicContact CB-CE1 3.99Å; D221-F246 HydrophobicContact CB-CZ 3.82Å; C241-F246 HydrophobicContact CB-CE2 3.87Å; C241-F246 HydrophobicContact CB-CZ 3.75Å; D242-F246 WeakPolarHBondContact O-CD2 3.5Å; K243-F246 PolarHBondContact O-N 3.22Å; Q244-F246 PolarHBondContact O-N 3.25Å; F246-H279 PolarHBondContact O-CE1 3.04Å
247	I	97.1	Very high	96	Very high	112 Å²	112	27.9 Å²	27.9	57%	0.574	14%	0.141	S	C	*	.	H	α-helix	trans	-82.9	-43.3	171.6	-63.9	166.6	0	0	0	109.8	K243 Q244	K243-I247 WeakPolarHBondContact O-CG1 3.06Å; K243-I247 PolarHBondContact O-N 2.88Å; Q244-I247 PolarHBondContact O-N 3.03Å
248	Q	98.1	Very high	95.7	Very high	32 Å²	32	33.6 Å²	33.6	15%	0.15	17%	0.17	C	C	.	.	S	Bend	trans	-161.2	157.1	-177.2	44.8	-168	68.4	0	0	112.4	Q244 T245 H279 N310 Y311 Y312	Q244-Q248 PolarHBondContact O-N 2.95Å; T245-Q248 CarbonylContact C-O 3.58Å; T245-Q248 WeakPolarHBondContact CA-O 3.41Å; Q248-H279 PolarHBondContact N-CE1 3.19Å; Q248-N310 WeakPolarHBondContact CB-O 3.18Å; Q248-Y311 PolarHBondContact NE2-O 3.43Å; Q248-Y312 VanDerWaalsContact NE2-CB 3.35Å
249	P	98.7	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.			trans	-51.5	145.1	164.4	-27.2	37.5	0	0	0	112.7	L273 K274 M275 H279 L304 I309 N310 Y311 Y312	P249-L273 HydrophobicContact CB-CD1 4.09Å; P249-K274 CarbonylContact C-O 3.4Å; P249-K274 WeakPolarHBondContact CA-O 3.32Å; P249-M275 HydrophobicContact CB-CB 3.86Å; P249-M275 HydrophobicContact CG-CB 3.86Å; P249-M275 HydrophobicContact CG-CE 3.96Å; P249-H279 HydrophobicContact CG-CB 4.4Å; P249-L304 HydrophobicContact CG-CD1 4.24Å; P249-L304 HydrophobicContact CG-CD2 3.8Å; P249-I309 VanDerWaalsContact CD-CG2 3.49Å; P249-I309 HydrophobicContact CG-CG2 4.14Å; P249-N310 VanDerWaalsContact CD-O 3.28Å; P249-N310 WeakPolarHBondContact CD-O 3.44Å; P249-Y311 CarbonylContact O-C 3.57Å; P249-Y311 VanDerWaalsContact O-CA 3.32Å; P249-Y311 WeakPolarHBondContact O-CA 3.39Å; P249-Y312 PolarHBondContact O-N 2.81Å
250	V	98.7	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.8	178.5	-177	0	0	0	0	108.3	Q244 L252 K274 Y312 M314	Q244-V250 HydrophobicContact CB-CG2 4.32Å; Q244-V250 HydrophobicContact CG-CG2 3.86Å; V250-L252 HydrophobicContact CB-CD2 4.49Å; V250-L252 HydrophobicContact CG1-CD2 3.67Å; V250-L252 PolarHBondContact O-N 3.22Å; V250-K274 HydrophobicContact CB-CB 4.41Å; V250-K274 PolarHBondContact N-O 2.97Å; V250-K274 PolarHBondContact O-N 3.25Å; V250-Y312 CarbonylContact C-O 3.51Å; V250-Y312 WeakPolarHBondContact CA-O 3.37Å; V250-Y312 HydrophobicContact CG1-CD1 4.12Å; V250-M314 HydrophobicContact CG1-CE 3.8Å
251	H	98.6	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113.1	174.1	178.2	-138	0	0	0	109	V254 L268 I269 G270 V272 L273 Y312 Q313 M314	H251-V254 WeakPolarHBondContact ND1-CG2 3.11Å; H251-V254 WeakPolarHBondContact O-CG2 3.08Å; H251-L268 PolarHBondContact CE1-O 3.07Å; H251-L268 PolarHBondContact ND1-O 3.47Å; H251-I269 HydrophobicContact CB-CG2 4.45Å; H251-I269 PolarHBondContact CD2-O 3.48Å; H251-G270 PolarHBondContact CD2-O 3.38Å; H251-G270 PolarHBondContact NE2-O 2.95Å; H251-V272 PolarHBondContact CD2-O 3.18Å; H251-V272 VanDerWaalsContact CD2-O 3.32Å; H251-L273 HydrophobicContact CB-CD1 4.14Å; H251-Y312 PolarHBondContact N-O 3.43Å; H251-Q313 HydrophobicContact CB-CG 4.02Å; H251-M314 WeakPolarHBondContact O-CB 3.14Å; H251-M314 PolarHBondContact O-N 3.2Å
252	L	98.5	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.			trans	-95	-31.1	-178.3	-55.7	176.2	0	0	0	110.7	V224 N237 P238 Y239 V250 V254 V272 K274 A319 Y321	V224-L252 HydrophobicContact CG1-CD1 4.21Å; N237-L252 VanDerWaalsContact OD1-CD2 3.3Å; N237-L252 WeakPolarHBondContact OD1-CD2 3.21Å; P238-L252 HydrophobicContact CG-CD2 4.42Å; Y239-L252 HydrophobicContact CD2-CD1 3.81Å; Y239-L252 HydrophobicContact CE2-CD1 3.8Å; Y239-L252 HydrophobicContact CG-CD1 4.33Å; V250-L252 HydrophobicContact CB-CD2 4.49Å; V250-L252 HydrophobicContact CG1-CD2 3.67Å; V250-L252 PolarHBondContact O-N 3.22Å; L252-V254 PolarHBondContact O-N 3.32Å; L252-V272 HydrophobicContact CB-CB 4.09Å; L252-V272 HydrophobicContact CB-CG1 3.94Å; L252-V272 HydrophobicContact CD1-CG1 4.09Å; L252-V272 PolarHBondContact N-O 3.4Å; L252-K274 HydrophobicContact CD1-CB 3.87Å; L252-K274 HydrophobicContact CG-CB 4.23Å; L252-A319 WeakPolarHBondContact O-CB 3.23Å; L252-Y321 WeakPolarHBondContact O-CE2 3.1Å
253	G	97.2	Very high	95.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	40.2	-177.6	0	0	0	0	0	115.4	V272	G253-V272 PolarHBondContact N-O 3.3Å
254	V	96.3	Very high	95.6	Very high	7 Å²	7	50 Å²	50	4%	0.042	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-52.1	-170.9	176.8	0	0	0	0	112.5	H251 L252 L263 Q313 M314 P316 A319	H251-V254 WeakPolarHBondContact ND1-CG2 3.11Å; H251-V254 WeakPolarHBondContact O-CG2 3.08Å; L252-V254 PolarHBondContact O-N 3.32Å; V254-L263 HydrophobicContact CB-CD2 4.32Å; V254-L263 HydrophobicContact CG1-CD1 4.24Å; V254-L263 HydrophobicContact CG1-CD2 4.07Å; V254-L263 HydrophobicContact CG1-CG 3.95Å; V254-Q313 HydrophobicContact CG2-CB 4.06Å; V254-M314 WeakPolarHBondContact CB-O 3.26Å; V254-M314 WeakPolarHBondContact CG1-O 3.45Å; V254-M314 WeakPolarHBondContact CG2-O 3.42Å; V254-P316 HydrophobicContact CG1-CB 4.18Å; V254-A319 HydrophobicContact CB-CB 4.05Å; V254-A319 HydrophobicContact CG2-CB 4.46Å
255	G	93.6	Very high	95.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	101.5	-173.5	0	0	0	0	0	112.5	F261 A319 R320 Y321	G255-F261 WeakPolarHBondContact O-CD1 3.3Å; G255-A319 WeakPolarHBondContact CA-O 3.47Å; G255-A319 PolarHBondContact N-O 2.9Å; G255-R320 CarbonylContact O-C 3.59Å; G255-R320 WeakPolarHBondContact O-CA 3.18Å; G255-Y321 PolarHBondContact O-N 2.83Å
256	L	95.2	Very high	95.6	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.3	169.4	-54.3	-157.5	0	0	0	111.3	L230 I258 R259 N260 F261 Y321 A323	L230-L256 HydrophobicContact CD1-CD2 4.2Å; L230-L256 HydrophobicContact CD2-CD1 3.82Å; L230-L256 HydrophobicContact CD2-CD2 3.75Å; L230-L256 HydrophobicContact CD2-CG 4.48Å; L256-I258 VanDerWaalsContact C-N 3.35Å; L256-I258 HydrophobicContact CB-CG1 4.08Å; L256-I258 PolarHBondContact O-N 3.42Å; L256-R259 HydrophobicContact CB-CB 4.42Å; L256-R259 CarbonylContact O-C 3.54Å; L256-R259 WeakPolarHBondContact O-CA 3.32Å; L256-R259 PolarHBondContact O-N 2.89Å; L256-N260 PolarHBondContact O-N 3.34Å; L256-F261 WeakPolarHBondContact O-CA 3.31Å; L256-F261 PolarHBondContact O-N 2.93Å; L256-Y321 HydrophobicContact CD2-CG 4.38Å; L256-A323 HydrophobicContact CD1-CB 4.25Å
257	D	94.1	Very high	95.6	Very high	42 Å²	42	55.1 Å²	55.1	23%	0.225	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.2	-44.6	179.1	66.6	-24.6	0	0	0	112.9	R259 N260 F261 Y321 K322 A323	D257-R259 PolarHBondContact O-N 3.28Å; D257-N260 PolarHBondContact O-N 3.45Å; D257-F261 HydrophobicContact CB-CE1 4.05Å; D257-F261 HydrophobicContact CB-CZ 3.84Å; D257-Y321 PolarHBondContact N-O 3.3Å; D257-K322 IonicContact OD2-NZ 2.81Å; D257-A323 PolarHBondContact OD1-N 3.18Å
258	I	92.3	Very high	95.6	Very high	120 Å²	120	50.4 Å²	50.4	62%	0.615	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-61	-15.4	176.2	57.5	163	0	0	0	114.1	L256 A323	L256-I258 VanDerWaalsContact C-N 3.35Å; L256-I258 HydrophobicContact CB-CG1 4.08Å; L256-I258 PolarHBondContact O-N 3.42Å; I258-A323 HydrophobicContact CD1-CB 3.67Å; I258-A323 HydrophobicContact CG1-CB 3.68Å; I258-A323 HydrophobicContact CG2-CB 4.14Å
259	R	92.7	Very high	95.6	Very high	66 Å²	66	49 Å²	49	25%	0.249	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-113.1	19.4	178.8	-68.6	-173.1	-92.8	167.9	-7.3	112.2	L256 D257 F261 R262 N264	L256-R259 HydrophobicContact CB-CB 4.42Å; L256-R259 CarbonylContact O-C 3.54Å; L256-R259 WeakPolarHBondContact O-CA 3.32Å; L256-R259 PolarHBondContact O-N 2.89Å; D257-R259 PolarHBondContact O-N 3.28Å; R259-F261 PolarHBondContact O-N 3.29Å; R259-F261 VanDerWaalsContact O-N 3.16Å; R259-R262 WeakPolarHBondContact CB-O 3.47Å; R259-R262 PolarHBondContact O-N 3.34Å; R259-R262 VanDerWaalsContact O-N 3.12Å; R259-N264 WeakPolarHBondContact CD-OD1 3.46Å; R259-N264 PolarHBondContact NH1-ND2 3.44Å; R259-N264 PolarHBondContact NH1-OD1 2.89Å
260	N	95.1	Very high	95.5	Very high	132 Å²	132	49.3 Å²	49.3	71%	0.706	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	36.2	-174.9	-61	-51.7	0	0	0	112.6	L256 D257 R262	L256-N260 PolarHBondContact O-N 3.34Å; D257-N260 PolarHBondContact O-N 3.45Å; N260-R262 PolarHBondContact O-N 3.4Å
261	F	95.1	Very high	95.5	Very high	47 Å²	47	49.7 Å²	49.7	21%	0.206	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	40.2	-178	-51.9	-77.4	0	0	0	114.3	I233 G255 L256 D257 R259 P316 R320	I233-F261 HydrophobicContact CD1-CE1 4.06Å; I233-F261 HydrophobicContact CD1-CZ 4.14Å; G255-F261 WeakPolarHBondContact O-CD1 3.3Å; L256-F261 WeakPolarHBondContact O-CA 3.31Å; L256-F261 PolarHBondContact O-N 2.93Å; D257-F261 HydrophobicContact CB-CE1 4.05Å; D257-F261 HydrophobicContact CB-CZ 3.84Å; R259-F261 PolarHBondContact O-N 3.29Å; R259-F261 VanDerWaalsContact O-N 3.16Å; F261-P316 HydrophobicContact CB-CB 4.43Å; F261-P316 WeakPolarHBondContact O-CB 3.43Å; F261-R320 HydrophobicContact CD1-CB 3.96Å; F261-R320 HydrophobicContact CD1-CG 3.69Å; F261-R320 HydrophobicContact CE1-CB 3.78Å; F261-R320 HydrophobicContact CE1-CG 3.89Å; F261-R320 HydrophobicContact CG-CG 4.38Å
262	R	93.9	Very high	95.5	Very high	185 Å²	185	49.7 Å²	49.7	70%	0.698	24%	0.244	S	C	*	.			trans	-123.9	150.8	176.9	-60.3	-179.3	-178.1	-174.1	-1.2	112.3	R259 N260	R259-R262 WeakPolarHBondContact CB-O 3.47Å; R259-R262 PolarHBondContact O-N 3.34Å; R259-R262 VanDerWaalsContact O-N 3.12Å; N260-R262 PolarHBondContact O-N 3.4Å
263	L	94.4	Very high	95.5	Very high	44 Å²	44	50 Å²	50	23%	0.23	25%	0.246	C	C	.	.			trans	-73	154.4	169.7	-65.5	173.2	0	0	0	111	V254 L268 Q313	V254-L263 HydrophobicContact CB-CD2 4.32Å; V254-L263 HydrophobicContact CG1-CD1 4.24Å; V254-L263 HydrophobicContact CG1-CD2 4.07Å; V254-L263 HydrophobicContact CG1-CG 3.95Å; L263-L268 HydrophobicContact CD2-CB 4.38Å; L263-L268 HydrophobicContact CD2-CD2 4.01Å; L263-L268 HydrophobicContact CD2-CG 4.41Å; L263-Q313 VanDerWaalsContact CD1-CD 3.46Å; L263-Q313 HydrophobicContact CD1-CG 4.49Å; L263-Q313 VanDerWaalsContact CD1-OE1 3.27Å
264	N	92.6	Very high	95.5	Very high	110 Å²	110	50 Å²	50	59%	0.588	25%	0.245	S	C	*	.	S	Bend	trans	-77	-33.1	173.3	-71.2	-6	0	0	0	112.1	R259	R259-N264 WeakPolarHBondContact CD-OD1 3.46Å; R259-N264 PolarHBondContact NH1-ND2 3.44Å; R259-N264 PolarHBondContact NH1-OD1 2.89Å
265	Y	95.3	Very high	95.6	Very high	78 Å²	78	49.7 Å²	49.7	31%	0.306	24%	0.243	S	C	.	.	S	Bend	trans	-156.8	157.4	178.1	54.4	-85.5	0	0	0	109.7	E267 L268 D298	Y265-E267 HydrophobicContact CD2-CB 4.17Å; Y265-E267 HydrophobicContact CE2-CB 4.34Å; Y265-E267 PolarHBondContact O-N 3.04Å; Y265-L268 HydrophobicContact CD1-CB 4.41Å; Y265-L268 HydrophobicContact CD2-CB 4.02Å; Y265-L268 HydrophobicContact CE1-CB 4.11Å; Y265-L268 HydrophobicContact CE1-CD1 4.13Å; Y265-L268 HydrophobicContact CE2-CB 3.72Å; Y265-L268 HydrophobicContact CE2-CD1 4.45Å; Y265-L268 HydrophobicContact CG-CB 4.36Å; Y265-L268 WeakPolarHBondContact O-CB 3.4Å; Y265-L268 PolarHBondContact O-N 3.03Å; Y265-L268 WeakPolarHBondContact OH-CD1 3.38Å; Y265-D298 VanDerWaalsContact CE2-OD1 3.32Å; Y265-D298 WeakPolarHBondContact CE2-OD1 3.4Å; Y265-D298 PolarHBondContact OH-OD1 2.95Å; Y265-D298 PolarHBondContact OH-OD2 3.4Å
266	P	94.8	Very high	95.8	Very high	90 Å²	90	49.9 Å²	49.9	58%	0.584	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.7	-171.1	-24.8	35.8	0	0	0	115	L268 Q313	P266-L268 VanDerWaalsContact C-N 3.31Å; P266-L268 PolarHBondContact O-N 3.47Å; P266-Q313 PolarHBondContact O-NE2 3.26Å
267	E	96.4	Very high	95.8	Very high	82 Å²	82	50.8 Å²	50.8	38%	0.383	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.8	-176.2	-60.9	78.1	-175	0	0	113.8	Y265 I269 Y311	Y265-E267 HydrophobicContact CD2-CB 4.17Å; Y265-E267 HydrophobicContact CE2-CB 4.34Å; Y265-E267 PolarHBondContact O-N 3.04Å; E267-I269 PolarHBondContact O-N 2.87Å; E267-Y311 WeakPolarHBondContact CA-OH 3.22Å
268	L	97	Very high	95.8	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	27%	0.27	C	S	.	.			trans	-63.2	126.5	-177	177.7	63.7	0	0	0	111.1	H251 L263 Y265 P266 D297 Q313	H251-L268 PolarHBondContact CE1-O 3.07Å; H251-L268 PolarHBondContact ND1-O 3.47Å; L263-L268 HydrophobicContact CD2-CB 4.38Å; L263-L268 HydrophobicContact CD2-CD2 4.01Å; L263-L268 HydrophobicContact CD2-CG 4.41Å; Y265-L268 HydrophobicContact CD1-CB 4.41Å; Y265-L268 HydrophobicContact CD2-CB 4.02Å; Y265-L268 HydrophobicContact CE1-CB 4.11Å; Y265-L268 HydrophobicContact CE1-CD1 4.13Å; Y265-L268 HydrophobicContact CE2-CB 3.72Å; Y265-L268 HydrophobicContact CE2-CD1 4.45Å; Y265-L268 HydrophobicContact CG-CB 4.36Å; Y265-L268 WeakPolarHBondContact O-CB 3.4Å; Y265-L268 PolarHBondContact O-N 3.03Å; Y265-L268 WeakPolarHBondContact OH-CD1 3.38Å; P266-L268 VanDerWaalsContact C-N 3.31Å; P266-L268 PolarHBondContact O-N 3.47Å; L268-D297 WeakPolarHBondContact CD1-OD2 3.28Å; L268-Q313 PolarHBondContact O-NE2 3.18Å
269	I	97.9	Very high	96	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.245	C	C	.	.			trans	-125.4	13.6	172.3	62.8	170.2	0	0	0	113.6	H251 E267 L273 D297 L300 E301 L304 Y311	H251-I269 HydrophobicContact CB-CG2 4.45Å; H251-I269 PolarHBondContact CD2-O 3.48Å; E267-I269 PolarHBondContact O-N 2.87Å; I269-L273 HydrophobicContact CB-CD1 4.43Å; I269-L273 HydrophobicContact CD1-CD2 4.22Å; I269-D297 HydrophobicContact CG1-CB 4.44Å; I269-L300 HydrophobicContact CD1-CB 4.37Å; I269-L300 HydrophobicContact CD1-CD2 4.29Å; I269-L300 HydrophobicContact CD1-CG 4.2Å; I269-E301 HydrophobicContact CD1-CB 3.67Å; I269-E301 HydrophobicContact CD1-CG 4.09Å; I269-E301 HydrophobicContact CG1-CB 4.03Å; I269-E301 HydrophobicContact CG1-CG 4.35Å; I269-E301 HydrophobicContact CG2-CG 4.42Å; I269-L304 HydrophobicContact CD1-CD1 3.86Å; I269-Y311 HydrophobicContact CG2-CD1 4.37Å; I269-Y311 HydrophobicContact CG2-CD2 3.76Å; I269-Y311 HydrophobicContact CG2-CE1 4.36Å; I269-Y311 HydrophobicContact CG2-CE2 3.74Å; I269-Y311 HydrophobicContact CG2-CG 4.08Å
270	G	96.7	Very high	96.2	Very high	5 Å²	5	48 Å²	48	5%	0.052	23%	0.233	C	C	.	.			trans	-73.7	-178.4	177	0	0	0	0	0	115.2	H251 V272 D297	H251-G270 PolarHBondContact CD2-O 3.38Å; H251-G270 PolarHBondContact NE2-O 2.95Å; G270-V272 PolarHBondContact O-N 3.41Å; G270-V272 VanDerWaalsContact O-N 3.07Å; G270-D297 WeakPolarHBondContact CA-OD2 3.33Å; G270-D297 PolarHBondContact N-OD2 2.88Å
271	G	97	Very high	96.2	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	20%	0.203	C	C	.	.	S	Bend	trans	81.8	-80.4	-178.9	0	0	0	0	0	113.1	D227 L230	D227-G271 WeakPolarHBondContact CB-O 3.39Å; D227-G271 PolarHBondContact N-O 3.07Å; D227-G271 VanDerWaalsContact OD2-CA 3.28Å; D227-G271 WeakPolarHBondContact OD2-CA 3.21Å; L230-G271 VanDerWaalsContact CD1-CA 3.45Å
272	V	98.8	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	121.3	178.8	-170.9	0	0	0	0	110.5	V224 F225 H226 L230 H251 L252 G253 G270 Y321	V224-V272 HydrophobicContact CG1-CG1 3.48Å; V224-V272 VanDerWaalsContact CG1-CG1 3.48Å; F225-V272 CarbonylContact O-C 3.54Å; F225-V272 VanDerWaalsContact O-CA 3.28Å; F225-V272 WeakPolarHBondContact O-CA 3.49Å; H226-V272 HydrophobicContact CB-CG1 4.37Å; L230-V272 HydrophobicContact CB-CG2 4.36Å; L230-V272 HydrophobicContact CD1-CG2 3.98Å; H251-V272 PolarHBondContact CD2-O 3.18Å; H251-V272 VanDerWaalsContact CD2-O 3.32Å; L252-V272 HydrophobicContact CB-CB 4.09Å; L252-V272 HydrophobicContact CB-CG1 3.94Å; L252-V272 HydrophobicContact CD1-CG1 4.09Å; L252-V272 PolarHBondContact N-O 3.4Å; G253-V272 PolarHBondContact N-O 3.3Å; G270-V272 PolarHBondContact O-N 3.41Å; G270-V272 VanDerWaalsContact O-N 3.07Å; V272-Y321 HydrophobicContact CG2-CD1 4.5Å; V272-Y321 HydrophobicContact CG2-CE1 3.72Å
273	L	98.8	Very high	96.1	Very high	7 Å²	7	36 Å²	36	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.1	-178.3	-177.1	66.9	0	0	0	110.4	V224 F225 P249 H251 I269 M275 L300	V224-L273 CarbonylContact C-O 3.58Å; V224-L273 WeakPolarHBondContact CA-O 3.49Å; F225-L273 PolarHBondContact N-O 3.47Å; F225-L273 PolarHBondContact O-N 2.9Å; P249-L273 HydrophobicContact CB-CD1 4.09Å; H251-L273 HydrophobicContact CB-CD1 4.14Å; I269-L273 HydrophobicContact CB-CD1 4.43Å; I269-L273 HydrophobicContact CD1-CD2 4.22Å; L273-M275 HydrophobicContact CD2-SD 4.22Å; L273-L300 HydrophobicContact CD2-CD2 3.61Å
274	K	98.6	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.3	174.6	179.9	178.8	65.3	169.5	0	109.9	V223 V224 P238 G240 D242 T245 P249 V250 L252	V223-K274 CarbonylContact O-C 3.53Å; V223-K274 WeakPolarHBondContact O-CA 3.49Å; V224-K274 HydrophobicContact CG2-CB 3.97Å; V224-K274 HydrophobicContact CG2-CD 4.22Å; V224-K274 HydrophobicContact CG2-CG 3.87Å; P238-K274 WeakPolarHBondContact O-CE 3.23Å; P238-K274 PolarHBondContact O-NZ 2.79Å; G240-K274 WeakPolarHBondContact O-CD 3.43Å; G240-K274 PolarHBondContact O-NZ 3.13Å; D242-K274 IonicContact OD1-NZ 2.67Å; D242-K274 IonicContact OD2-NZ 3.18Å; D242-K274 PolarHBondContact OD2-NZ 3.45Å; T245-K274 HydrophobicContact CG2-CD 4.33Å; T245-K274 HydrophobicContact CG2-CG 4Å; T245-K274 WeakPolarHBondContact OG1-CE 3.32Å; T245-K274 PolarHBondContact OG1-NZ 3.26Å; P249-K274 CarbonylContact C-O 3.4Å; P249-K274 WeakPolarHBondContact CA-O 3.32Å; V250-K274 HydrophobicContact CB-CB 4.41Å; V250-K274 PolarHBondContact N-O 2.97Å; V250-K274 PolarHBondContact O-N 3.25Å; L252-K274 HydrophobicContact CD1-CB 3.87Å; L252-K274 HydrophobicContact CG-CB 4.23Å
275	M	98.3	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154.8	175.1	62.1	-166.7	-60.7	0	0	112.6	C222 V223 F225 P249 L273 H279 F280 L304	C222-M275 WeakPolarHBondContact CA-O 3.39Å; C222-M275 VanDerWaalsContact CB-O 3.29Å; C222-M275 WeakPolarHBondContact CB-O 3.46Å; V223-M275 HydrophobicContact CG1-CG 4.2Å; V223-M275 PolarHBondContact N-O 3.16Å; V223-M275 PolarHBondContact O-N 3.4Å; F225-M275 HydrophobicContact CD2-SD 4.46Å; F225-M275 HydrophobicContact CE2-CG 4.15Å; F225-M275 HydrophobicContact CE2-SD 4Å; P249-M275 HydrophobicContact CB-CB 3.86Å; P249-M275 HydrophobicContact CG-CB 3.86Å; P249-M275 HydrophobicContact CG-CE 3.96Å; L273-M275 HydrophobicContact CD2-SD 4.22Å; M275-H279 HydrophobicContact CB-CB 4.46Å; M275-H279 HydrophobicContact CE-CB 3.56Å; M275-F280 VanDerWaalsContact CE-CA 3.46Å; M275-F280 HydrophobicContact CE-CB 3.84Å; M275-F280 HydrophobicContact CE-CD2 4.06Å; M275-F280 HydrophobicContact CE-CG 4.48Å; M275-F280 VanDerWaalsContact CE-N 3.34Å; M275-F280 HydrophobicContact CG-CB 4.22Å; M275-F280 HydrophobicContact SD-CB 4.03Å; M275-F280 HydrophobicContact SD-CD2 3.6Å; M275-F280 VanDerWaalsContact SD-CD2 3.6Å; M275-F280 HydrophobicContact SD-CG 4.25Å; M275-L304 HydrophobicContact CE-CD2 4.25Å
276	S	97.1	Very high	96.5	Very high	5 Å²	5	25.3 Å²	25.3	4%	0.035	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	151.6	172.8	76.2	0	0	0	0	111.2	K278 H279 F280	S276-K278 PolarHBondContact O-N 3.32Å; S276-H279 PolarHBondContact O-N 2.94Å; S276-H279 VanDerWaalsContact O-N 3.13Å; S276-H279 PolarHBondContact OG-N 2.81Å; S276-H279 VanDerWaalsContact OG-N 3.11Å; S276-H279 PolarHBondContact OG-ND1 3.05Å; S276-H279 VanDerWaalsContact OG-ND1 3.14Å; S276-F280 PolarHBondContact O-N 2.61Å; S276-F280 VanDerWaalsContact O-N 3.15Å
277	N	95	Very high	96.6	Very high	28 Å²	28	21 Å²	21	15%	0.15	10%	0.098	C	C	.	.	H	α-helix	trans	-58	-36.8	175.6	-62.4	-4.9	0	0	0	111.2	F211 F220 D221 F280 V281	F211-N277 HydrophobicContact CE2-CB 4.13Å; F211-N277 HydrophobicContact CZ-CB 4.15Å; F220-N277 WeakPolarHBondContact CD2-ND2 3.48Å; F220-N277 VanDerWaalsContact CD2-OD1 3.27Å; F220-N277 WeakPolarHBondContact CD2-OD1 3.41Å; F220-N277 WeakPolarHBondContact CE2-OD1 3.43Å; F220-N277 PolarHBondContact O-ND2 3.27Å; D221-N277 PolarHBondContact O-N 3.26Å; D221-N277 PolarHBondContact O-OD1 3.36Å; N277-F280 PolarHBondContact O-N 3.34Å; N277-V281 WeakPolarHBondContact O-CB 3.48Å; N277-V281 WeakPolarHBondContact O-CG2 3.39Å; N277-V281 PolarHBondContact O-N 3Å
278	K	94.4	Very high	96.7	Very high	149 Å²	149	17.7 Å²	17.7	65%	0.648	8%	0.083	S	C	*	.	H	α-helix	trans	-59.2	-47.1	176.6	-177.9	-178.3	176	-175.4	0	111.8	S276 F280 R282	S276-K278 PolarHBondContact O-N 3.32Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 3.45Å; K278-R282 VanDerWaalsContact O-CB 3.23Å; K278-R282 WeakPolarHBondContact O-CB 3.2Å; K278-R282 PolarHBondContact O-N 2.82Å
279	H	96.5	Very high	96.6	Very high	19 Å²	19	18 Å²	18	9%	0.088	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-42.8	177.8	-63.8	152.4	0	0	0	111.1	T245 F246 Q248 P249 M275 S276 R282 V283	T245-H279 PolarHBondContact O-CE1 2.86Å; F246-H279 PolarHBondContact O-CE1 3.04Å; Q248-H279 PolarHBondContact N-CE1 3.19Å; P249-H279 HydrophobicContact CG-CB 4.4Å; M275-H279 HydrophobicContact CB-CB 4.46Å; M275-H279 HydrophobicContact CE-CB 3.56Å; S276-H279 PolarHBondContact O-N 2.94Å; S276-H279 VanDerWaalsContact O-N 3.13Å; S276-H279 PolarHBondContact OG-N 2.81Å; S276-H279 VanDerWaalsContact OG-N 3.11Å; S276-H279 PolarHBondContact OG-ND1 3.05Å; S276-H279 VanDerWaalsContact OG-ND1 3.14Å; H279-R282 PolarHBondContact O-N 2.67Å; H279-V283 WeakPolarHBondContact O-CG2 3.36Å; H279-V283 PolarHBondContact O-N 3.25Å
280	F	97.3	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.3	-42.9	-176	-168.4	-116.5	0	0	0	111.9	N208 F211 F225 M275 S276 N277 K278 V283 N284 G285 H286 L355	N208-F280 VanDerWaalsContact OD1-CZ 3.24Å; N208-F280 WeakPolarHBondContact OD1-CZ 3.31Å; F211-F280 HydrophobicContact CB-CD1 4.1Å; F211-F280 HydrophobicContact CB-CE1 3.56Å; F211-F280 HydrophobicContact CB-CZ 4.48Å; F211-F280 AromaticContact CD1-CD1 3.77Å; F211-F280 HydrophobicContact CD1-CD1 3.77Å; F211-F280 AromaticContact CD1-CE1 3.84Å; F211-F280 HydrophobicContact CD1-CE1 3.84Å; F211-F280 AromaticContact CD2-CD1 3.56Å; F211-F280 HydrophobicContact CD2-CD1 3.56Å; F211-F280 AromaticContact CD2-CE1 3.94Å; F211-F280 HydrophobicContact CD2-CE1 3.94Å; F211-F280 HydrophobicContact CE1-CD1 4.04Å; F211-F280 AromaticContact CE2-CD1 3.84Å; F211-F280 HydrophobicContact CE2-CD1 3.84Å; F211-F280 AromaticContact CG-CD1 3.52Å; F211-F280 HydrophobicContact CG-CD1 3.52Å; F211-F280 AromaticContact CG-CE1 3.49Å; F211-F280 HydrophobicContact CG-CE1 3.49Å; F211-F280 VanDerWaalsContact CG-CE1 3.49Å; F211-F280 HydrophobicContact CZ-CD1 4.08Å; F225-F280 HydrophobicContact CD2-CE2 4.4Å; F225-F280 HydrophobicContact CE1-CE1 4.34Å; F225-F280 HydrophobicContact CE1-CE2 4.38Å; F225-F280 HydrophobicContact CE1-CZ 4.03Å; F225-F280 HydrophobicContact CE2-CD1 4.43Å; F225-F280 AromaticContact CE2-CD2 3.51Å; F225-F280 HydrophobicContact CE2-CD2 3.51Å; F225-F280 HydrophobicContact CE2-CE1 4.36Å; F225-F280 AromaticContact CE2-CE2 3.41Å; F225-F280 HydrophobicContact CE2-CE2 3.41Å; F225-F280 VanDerWaalsContact CE2-CE2 3.41Å; F225-F280 HydrophobicContact CE2-CG 4.02Å; F225-F280 AromaticContact CE2-CZ 3.87Å; F225-F280 HydrophobicContact CE2-CZ 3.87Å; F225-F280 AromaticContact CZ-CD1 3.87Å; F225-F280 HydrophobicContact CZ-CD1 3.87Å; F225-F280 AromaticContact CZ-CD2 3.72Å; F225-F280 HydrophobicContact CZ-CD2 3.72Å; F225-F280 AromaticContact CZ-CE1 3.56Å; F225-F280 HydrophobicContact CZ-CE1 3.56Å; F225-F280 AromaticContact CZ-CE2 3.39Å; F225-F280 HydrophobicContact CZ-CE2 3.39Å; F225-F280 AromaticContact CZ-CG 3.94Å; F225-F280 HydrophobicContact CZ-CG 3.94Å; F225-F280 AromaticContact CZ-CZ 3.3Å; F225-F280 HydrophobicContact CZ-CZ 3.3Å; M275-F280 VanDerWaalsContact CE-CA 3.46Å; M275-F280 HydrophobicContact CE-CB 3.84Å; M275-F280 HydrophobicContact CE-CD2 4.06Å; M275-F280 HydrophobicContact CE-CG 4.48Å; M275-F280 VanDerWaalsContact CE-N 3.34Å; M275-F280 HydrophobicContact CG-CB 4.22Å; M275-F280 HydrophobicContact SD-CB 4.03Å; M275-F280 HydrophobicContact SD-CD2 3.6Å; M275-F280 VanDerWaalsContact SD-CD2 3.6Å; M275-F280 HydrophobicContact SD-CG 4.25Å; S276-F280 PolarHBondContact O-N 2.61Å; S276-F280 VanDerWaalsContact O-N 3.15Å; N277-F280 PolarHBondContact O-N 3.34Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 3.45Å; F280-V283 WeakPolarHBondContact O-CG2 3.24Å; F280-N284 PolarHBondContact O-N 2.86Å; F280-G285 VanDerWaalsContact CE2-CA 3.43Å; F280-G285 PolarHBondContact O-N 2.83Å; F280-H286 AromaticContact CE2-CD2 3.76Å; F280-L355 HydrophobicContact CD1-CD1 3.88Å; F280-L355 HydrophobicContact CE1-CD1 3.88Å; F280-L355 HydrophobicContact CE1-CD2 3.95Å; F280-L355 HydrophobicContact CE1-CG 4.24Å
281	V	94.2	Very high	96.3	Very high	11 Å²	11	18 Å²	18	7%	0.067	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-40.3	174	171.8	0	0	0	0	111.4	E68 T71 R72 L75 F211 N277 V283 N284	E68-V281 HydrophobicContact CG-CG1 4.49Å; T71-V281 HydrophobicContact CG2-CG1 3.9Å; T71-V281 HydrophobicContact CG2-CG2 4.4Å; R72-V281 HydrophobicContact CG-CG1 3.96Å; L75-V281 HydrophobicContact CD1-CG2 3.63Å; F211-V281 HydrophobicContact CE1-CG2 4.01Å; F211-V281 HydrophobicContact CZ-CG2 3.94Å; N277-V281 WeakPolarHBondContact O-CB 3.48Å; N277-V281 WeakPolarHBondContact O-CG2 3.39Å; N277-V281 PolarHBondContact O-N 3Å; V281-V283 VanDerWaalsContact C-N 3.34Å; V281-V283 PolarHBondContact O-N 3.26Å; V281-N284 PolarHBondContact O-N 2.84Å
282	R	93.1	Very high	96	Very high	101 Å²	101	17.8 Å²	17.8	38%	0.381	8%	0.081	S	C	.	.	H	α-helix	trans	-60.7	-40.6	-179	178.4	58.7	-178.4	169.5	7	112.6	E68 K278 H279 N284 E307 I309	E68-R282 WeakPolarHBondContact OE1-CD 3.5Å; E68-R282 WeakPolarHBondContact OE2-CD 3.42Å; E68-R282 IonicContact OE2-CZ 3.83Å; E68-R282 IonicContact OE2-NE 3.32Å; E68-R282 IonicContact OE2-NH1 3.03Å; E68-R282 PolarHBondContact OE2-NH1 2.86Å; K278-R282 VanDerWaalsContact O-CB 3.23Å; K278-R282 WeakPolarHBondContact O-CB 3.2Å; K278-R282 PolarHBondContact O-N 2.82Å; H279-R282 PolarHBondContact O-N 2.67Å; R282-N284 PolarHBondContact O-N 3.28Å; R282-E307 HydrophobicContact CG-CG 4.4Å; R282-E307 IonicContact CZ-OE1 3.35Å; R282-E307 IonicContact CZ-OE2 3.96Å; R282-E307 IonicContact NE-OE1 2.64Å; R282-E307 IonicContact NE-OE2 2.78Å; R282-E307 PolarHBondContact NE-OE2 2.92Å; R282-E307 IonicContact NH2-OE1 3.95Å; R282-E307 IonicContact NH2-OE2 2.63Å; R282-E307 PolarHBondContact NH2-OE2 3.37Å; R282-I309 HydrophobicContact CB-CD1 4.33Å; R282-I309 HydrophobicContact CG-CD1 4.02Å
283	V	94.7	Very high	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	6.4	177.3	-59.3	0	0	0	0	113.9	H279 F280 V281 G285 L300 R303 L304 E307 I309 M350	H279-V283 WeakPolarHBondContact O-CG2 3.36Å; H279-V283 PolarHBondContact O-N 3.25Å; F280-V283 WeakPolarHBondContact O-CG2 3.24Å; V281-V283 VanDerWaalsContact C-N 3.34Å; V281-V283 PolarHBondContact O-N 3.26Å; V283-G285 PolarHBondContact O-N 3.38Å; V283-L300 HydrophobicContact CG2-CD1 3.71Å; V283-R303 HydrophobicContact CB-CB 4.03Å; V283-R303 HydrophobicContact CG1-CB 4.35Å; V283-L304 HydrophobicContact CG1-CD2 3.79Å; V283-L304 HydrophobicContact CG1-CG 4.27Å; V283-E307 HydrophobicContact CG1-CB 4.22Å; V283-E307 HydrophobicContact CG1-CG 4.07Å; V283-I309 HydrophobicContact CG1-CD1 3.98Å; V283-M350 HydrophobicContact CB-CE 4.25Å
284	N	94.5	Very high	95.1	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	30.7	-173.9	-163.2	32.1	0	0	0	113.5	F280 V281 R282 M350 G354 L355 S356	F280-N284 PolarHBondContact O-N 2.86Å; V281-N284 PolarHBondContact O-N 2.84Å; R282-N284 PolarHBondContact O-N 3.28Å; N284-M350 WeakPolarHBondContact CB-O 3.43Å; N284-M350 PolarHBondContact ND2-O 2.94Å; N284-G354 CarbonylContact O-C 3.51Å; N284-G354 VanDerWaalsContact O-CA 3.23Å; N284-G354 WeakPolarHBondContact O-CA 2.91Å; N284-L355 PolarHBondContact O-N 2.63Å; N284-L355 PolarHBondContact OD1-N 2.9Å; N284-S356 PolarHBondContact ND2-OG 3.48Å; N284-S356 WeakPolarHBondContact OD1-CB 3.5Å; N284-S356 PolarHBondContact OD1-N 2.73Å; N284-S356 PolarHBondContact OD1-OG 3.42Å
285	G	96.8	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	61.9	-158.4	-177.3	0	0	0	0	0	114.8	F280 V283 R303	F280-G285 VanDerWaalsContact CE2-CA 3.43Å; F280-G285 PolarHBondContact O-N 2.83Å; V283-G285 PolarHBondContact O-N 3.38Å; G285-R303 PolarHBondContact O-NH1 3.21Å
286	H	98.4	Very high	94.8	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	12%	0.121	C	C	.	.	S	Bend	trans	-72.3	161.6	174.9	-73.5	-89.7	0	0	0	111.6	G204 F207 N208 F280 L300 G354	G204-H286 WeakPolarHBondContact O-CB 3.4Å; F207-H286 AromaticContact CD2-NE2 3.56Å; N208-H286 PolarHBondContact ND2-O 3.47Å; N208-H286 PolarHBondContact OD1-N 2.63Å; F280-H286 AromaticContact CE2-CD2 3.76Å; H286-L300 WeakPolarHBondContact CE1-CD2 3.47Å; H286-G354 WeakPolarHBondContact O-CA 3.26Å
287	S	97.8	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.124	C	C	.	.			trans	-64.5	140.9	162.9	175.7	0	0	0	0	111	L289 Y290 R303 R349 D353	S287-L289 VanDerWaalsContact C-N 3.33Å; S287-L289 PolarHBondContact OG-N 3.35Å; S287-Y290 VanDerWaalsContact CB-CE2 3.48Å; S287-Y290 WeakPolarHBondContact OG-CD2 3.33Å; S287-Y290 WeakPolarHBondContact OG-CE2 3.45Å; S287-R303 VanDerWaalsContact CA-NH2 3.34Å; S287-R303 VanDerWaalsContact CB-NH2 3.34Å; S287-R349 PolarHBondContact OG-NH1 3.2Å; S287-R349 PolarHBondContact OG-NH2 3.24Å; S287-D353 WeakPolarHBondContact CA-OD2 3.42Å; S287-D353 WeakPolarHBondContact CB-OD2 3.5Å; S287-D353 PolarHBondContact OG-OD2 2.84Å
288	N	97	Very high	95	Very high	12 Å²	12	28 Å²	28	6%	0.064	12%	0.123	C	C	.	.	S	Bend	trans	-88.7	1.2	173.1	-58.7	-38.8	0	0	0	112.6	N202 M205 N208 D353 G354 L358	N202-N288 PolarHBondContact ND2-O 3.01Å; M205-N288 HydrophobicContact CB-CB 4.43Å; M205-N288 HydrophobicContact CG-CB 4.17Å; M205-N288 HydrophobicContact SD-CB 4.09Å; N208-N288 PolarHBondContact ND2-OD1 3.03Å; N288-D353 WeakPolarHBondContact CB-OD1 3.29Å; N288-D353 PolarHBondContact N-OD1 2.01Å; N288-G354 PolarHBondContact ND2-N 2.97Å; N288-G354 PolarHBondContact ND2-O 3.11Å; N288-L358 VanDerWaalsContact OD1-CD1 3.32Å; N288-L358 WeakPolarHBondContact OD1-CD1 3.07Å
289	L	95.4	Very high	95.2	Very high	18 Å²	18	20.9 Å²	20.9	9%	0.094	9%	0.092	C	C	.	.			trans	-100.4	-5.2	-170.6	-61.9	-171.4	0	0	0	114.9	L59 S287 W291 L342 P382 Y385	L59-L289 HydrophobicContact CD1-CD1 3.76Å; S287-L289 VanDerWaalsContact C-N 3.33Å; S287-L289 PolarHBondContact OG-N 3.35Å; L289-W291 PolarHBondContact O-N 3.33Å; L289-L342 HydrophobicContact CB-CD1 4.09Å; L289-L342 HydrophobicContact CB-CD2 3.96Å; L289-L342 HydrophobicContact CD1-CD2 3.89Å; L289-L342 WeakPolarHBondContact O-CD1 3.24Å; L289-P382 HydrophobicContact CD2-CG 4.49Å; L289-Y385 VanDerWaalsContact O-CE2 3.29Å; L289-Y385 WeakPolarHBondContact O-CE2 3.43Å; L289-Y385 PolarHBondContact O-OH 3.44Å
290	Y	95.2	Very high	95.3	Very high	1 Å²	1	20 Å²	20	0%	0.004	9%	0.088	C	C	.	.			trans	-87	92.9	178.7	-67.8	-89.6	0	0	0	111	N202 S287 Q295 E296 D299 H339 L342 L343	N202-Y290 VanDerWaalsContact CG-O 3.25Å; N202-Y290 PolarHBondContact OD1-O 3.24Å; S287-Y290 VanDerWaalsContact CB-CE2 3.48Å; S287-Y290 WeakPolarHBondContact OG-CD2 3.33Å; S287-Y290 WeakPolarHBondContact OG-CE2 3.45Å; Y290-Q295 HydrophobicContact CD1-CB 4.1Å; Y290-Q295 HydrophobicContact CE1-CB 3.57Å; Y290-E296 HydrophobicContact CD1-CB 4.42Å; Y290-E296 HydrophobicContact CD2-CB 3.92Å; Y290-E296 HydrophobicContact CG-CB 3.75Å; Y290-D299 HydrophobicContact CE2-CB 3.51Å; Y290-D299 VanDerWaalsContact CE2-OD2 3.26Å; Y290-D299 WeakPolarHBondContact CE2-OD2 3.47Å; Y290-D299 WeakPolarHBondContact OH-CB 3.17Å; Y290-D299 PolarHBondContact OH-OD2 2.71Å; Y290-H339 HydrophobicContact CD1-CB 4.45Å; Y290-H339 HydrophobicContact CE1-CB 4.33Å; Y290-L342 HydrophobicContact CD1-CD1 4.25Å; Y290-L342 HydrophobicContact CE1-CB 3.86Å; Y290-L342 HydrophobicContact CE1-CD1 4.22Å; Y290-L342 HydrophobicContact CE2-CB 4.48Å; Y290-L343 WeakPolarHBondContact OH-CA 3.19Å; Y290-L343 PolarHBondContact OH-N 3.05Å; Y290-L343 VanDerWaalsContact OH-N 3.07Å
291	W	93.2	Very high	95.4	Very high	8 Å²	8	20.5 Å²	20.5	3%	0.03	9%	0.09	C	C	.	.			trans	-93.7	119.5	172.2	-67.8	75.7	0	0	0	109.2	D199 L200 N202 L289 H339 L378 Q381 P382 Y385	D199-W291 HydrophobicContact CB-CE3 4.22Å; D199-W291 HydrophobicContact CB-CZ3 3.82Å; L200-W291 HydrophobicContact CB-CB 4Å; L200-W291 HydrophobicContact CD1-CB 4.41Å; L200-W291 WeakPolarHBondContact O-CZ3 3.44Å; N202-W291 HydrophobicContact CB-CD2 4.06Å; N202-W291 HydrophobicContact CB-CE3 4.27Å; N202-W291 HydrophobicContact CB-CG 4.42Å; N202-W291 VanDerWaalsContact ND2-CE2 3.33Å; N202-W291 PolarHBondContact ND2-NE1 2.52Å; L289-W291 PolarHBondContact O-N 3.33Å; W291-H339 PolarHBondContact O-NE2 2.8Å; W291-L378 HydrophobicContact CH2-CB 4.02Å; W291-L378 HydrophobicContact CZ2-CB 4.47Å; W291-Q381 HydrophobicContact CB-CB 4.39Å; W291-Q381 HydrophobicContact CD2-CB 3.43Å; W291-Q381 VanDerWaalsContact CD2-CB 3.43Å; W291-Q381 HydrophobicContact CE3-CB 3.29Å; W291-Q381 HydrophobicContact CG-CB 3.91Å; W291-Q381 HydrophobicContact CH2-CB 4.27Å; W291-Q381 HydrophobicContact CZ2-CB 4.38Å; W291-Q381 HydrophobicContact CZ3-CB 3.75Å; W291-P382 VanDerWaalsContact CD1-CD 3.42Å; W291-Y385 HydrophobicContact CB-CD1 4.03Å; W291-Y385 HydrophobicContact CB-CD2 3.92Å; W291-Y385 HydrophobicContact CB-CE1 3.9Å; W291-Y385 HydrophobicContact CB-CE2 3.74Å; W291-Y385 HydrophobicContact CB-CG 4.05Å; W291-Y385 AromaticContact CD1-CE2 3.8Å; W291-Y385 HydrophobicContact CG-CD2 4.21Å; W291-Y385 HydrophobicContact CG-CE2 4.09Å; W291-Y385 PolarHBondContact N-OH 3.24Å; W291-Y385 WeakPolarHBondContact O-CE1 3.33Å
292	G	90.7	Very high	95.6	Very high	5 Å²	5	24.8 Å²	24.8	5%	0.052	11%	0.105	C	C	.	.	S	Bend	trans	99.9	-168.2	-173.5	0	0	0	0	0	112.4	F201	F201-G292 PolarHBondContact O-N 3.14Å
293	W	88.1	Confident	95.8	Very high	169 Å²	169	20 Å²	20	64%	0.64	9%	0.087	S	C	*	.	S	Bend	trans	-92	122.9	-169.9	-174	81.8	0	0	0	113.8	N334	W293-N334 VanDerWaalsContact O-CG 3.29Å; W293-N334 PolarHBondContact O-ND2 3.01Å; W293-N334 PolarHBondContact O-OD1 3.28Å; W293-N334 VanDerWaalsContact O-OD1 3.09Å
294	G	89.9	Confident	96	Very high	6 Å²	6	20 Å²	20	6%	0.062	9%	0.087	C	C	.	.	S	Bend	trans	111.1	155.8	160.9	0	0	0	0	0	115.2	E296 H339	G294-E296 WeakPolarHBondContact CA-OE2 3.44Å; G294-E296 PolarHBondContact N-OE2 2.78Å; G294-E296 VanDerWaalsContact N-OE2 3.16Å; G294-E296 PolarHBondContact O-N 3.05Å; G294-H339 PolarHBondContact O-ND1 3.08Å; G294-H339 VanDerWaalsContact O-ND1 3.09Å
295	Q	94.9	Very high	96.2	Very high	29 Å²	29	24.9 Å²	24.9	14%	0.136	11%	0.108	C	C	.	.	S	Bend	trans	69.7	-7.2	179	-68.1	69.9	48.7	0	0	116.1	Y290 D297 D298 D299 H339 L343	Y290-Q295 HydrophobicContact CD1-CB 4.1Å; Y290-Q295 HydrophobicContact CE1-CB 3.57Å; Q295-D297 VanDerWaalsContact C-N 3.31Å; Q295-D297 PolarHBondContact O-N 2.86Å; Q295-D298 PolarHBondContact O-N 3.2Å; Q295-D299 WeakPolarHBondContact O-CB 3.38Å; Q295-D299 PolarHBondContact O-N 3.34Å; Q295-H339 HydrophobicContact CB-CB 4.18Å; Q295-H339 HydrophobicContact CG-CB 4.19Å; Q295-H339 PolarHBondContact OE1-ND1 3.38Å; Q295-L343 HydrophobicContact CB-CB 4.5Å; Q295-L343 HydrophobicContact CB-CD2 4.35Å; Q295-L343 HydrophobicContact CG-CD2 3.87Å
296	E	96.6	Very high	96.2	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-69	-30.9	177.5	77.2	-74.5	-176	0	0	113.1	R203 Y290 G294 L300	R203-E296 WeakPolarHBondContact CD-OE1 3.41Å; R203-E296 IonicContact CZ-OE1 2.68Å; R203-E296 IonicContact NE-OE1 2.76Å; R203-E296 IonicContact NH1-OE1 2.71Å; R203-E296 PolarHBondContact NH1-OE1 3.37Å; Y290-E296 HydrophobicContact CD1-CB 4.42Å; Y290-E296 HydrophobicContact CD2-CB 3.92Å; Y290-E296 HydrophobicContact CG-CB 3.75Å; G294-E296 WeakPolarHBondContact CA-OE2 3.44Å; G294-E296 PolarHBondContact N-OE2 2.78Å; G294-E296 VanDerWaalsContact N-OE2 3.16Å; G294-E296 PolarHBondContact O-N 3.05Å; E296-L300 PolarHBondContact O-N 2.69Å
297	D	98	Very high	96.1	Very high	16 Å²	16	32 Å²	32	9%	0.086	14%	0.137	C	C	.	.	H	α-helix	trans	-80.2	-37.7	173.2	56.5	-19.8	0	0	0	111.9	L268 I269 G270 Q295 D299 L300 E301	L268-D297 WeakPolarHBondContact CD1-OD2 3.28Å; I269-D297 HydrophobicContact CG1-CB 4.44Å; G270-D297 WeakPolarHBondContact CA-OD2 3.33Å; G270-D297 PolarHBondContact N-OD2 2.88Å; Q295-D297 VanDerWaalsContact C-N 3.31Å; Q295-D297 PolarHBondContact O-N 2.86Å; D297-D299 VanDerWaalsContact C-N 3.29Å; D297-D299 PolarHBondContact O-N 2.94Å; D297-L300 PolarHBondContact O-N 3.45Å; D297-E301 PolarHBondContact O-N 2.76Å
298	D	98.5	Very high	96.1	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-36.5	170.8	-61.9	-41.2	0	0	0	111.9	Y265 Q295 E301 R302 L343	Y265-D298 VanDerWaalsContact CE2-OD1 3.32Å; Y265-D298 WeakPolarHBondContact CE2-OD1 3.4Å; Y265-D298 PolarHBondContact OH-OD1 2.95Å; Y265-D298 PolarHBondContact OH-OD2 3.4Å; Q295-D298 PolarHBondContact O-N 3.2Å; D298-E301 WeakPolarHBondContact O-CB 3.49Å; D298-E301 PolarHBondContact O-N 2.98Å; D298-R302 WeakPolarHBondContact O-CG 3.28Å; D298-R302 PolarHBondContact O-N 3.36Å; D298-L343 HydrophobicContact CB-CD1 3.71Å; D298-L343 HydrophobicContact CB-CD2 4.2Å
299	D	98.6	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-47.3	174.8	-165.8	-73.5	0	0	0	110.8	Y290 Q295 D297 E301 R302 R303 L343 A346 R349	Y290-D299 HydrophobicContact CE2-CB 3.51Å; Y290-D299 VanDerWaalsContact CE2-OD2 3.26Å; Y290-D299 WeakPolarHBondContact CE2-OD2 3.47Å; Y290-D299 WeakPolarHBondContact OH-CB 3.17Å; Y290-D299 PolarHBondContact OH-OD2 2.71Å; Q295-D299 WeakPolarHBondContact O-CB 3.38Å; Q295-D299 PolarHBondContact O-N 3.34Å; D297-D299 VanDerWaalsContact C-N 3.29Å; D297-D299 PolarHBondContact O-N 2.94Å; D299-E301 PolarHBondContact O-N 3.06Å; D299-R302 PolarHBondContact O-N 2.89Å; D299-R303 WeakPolarHBondContact O-CG 3.48Å; D299-R303 PolarHBondContact O-N 3.07Å; D299-R303 IonicContact OD1-CZ 3.45Å; D299-R303 IonicContact OD1-NE 3.77Å; D299-R303 PolarHBondContact OD1-NE 2.89Å; D299-R303 IonicContact OD1-NH2 2.74Å; D299-R303 PolarHBondContact OD1-NH2 3.42Å; D299-L343 HydrophobicContact CB-CD1 4.26Å; D299-A346 HydrophobicContact CB-CB 4.32Å; D299-A346 VanDerWaalsContact CG-CB 3.43Å; D299-A346 WeakPolarHBondContact OD2-CA 3.33Å; D299-A346 WeakPolarHBondContact OD2-CB 3.41Å; D299-R349 IonicContact OD2-CZ 3.86Å; D299-R349 IonicContact OD2-NH2 2.7Å; D299-R349 PolarHBondContact OD2-NH2 2.78Å
300	L	98.8	Very high	96.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-39.4	174.6	179.7	64.2	0	0	0	111.3	I269 L273 V283 H286 E296 D297 R303 L304	I269-L300 HydrophobicContact CD1-CB 4.37Å; I269-L300 HydrophobicContact CD1-CD2 4.29Å; I269-L300 HydrophobicContact CD1-CG 4.2Å; L273-L300 HydrophobicContact CD2-CD2 3.61Å; V283-L300 HydrophobicContact CG2-CD1 3.71Å; H286-L300 WeakPolarHBondContact CE1-CD2 3.47Å; E296-L300 PolarHBondContact O-N 2.69Å; D297-L300 PolarHBondContact O-N 3.45Å; L300-R303 WeakPolarHBondContact O-CB 3.46Å; L300-R303 PolarHBondContact O-N 2.85Å; L300-L304 HydrophobicContact CG-CD1 4.29Å; L300-L304 WeakPolarHBondContact O-CG 3.49Å; L300-L304 PolarHBondContact O-N 3.37Å
301	E	98.6	Very high	96.4	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-44.6	177.3	-162.3	-87.8	173.7	0	0	112.1	I269 D297 D298 D299 R303 L304 K305 Y311	I269-E301 HydrophobicContact CD1-CB 3.67Å; I269-E301 HydrophobicContact CD1-CG 4.09Å; I269-E301 HydrophobicContact CG1-CB 4.03Å; I269-E301 HydrophobicContact CG1-CG 4.35Å; I269-E301 HydrophobicContact CG2-CG 4.42Å; D297-E301 PolarHBondContact O-N 2.76Å; D298-E301 WeakPolarHBondContact O-CB 3.49Å; D298-E301 PolarHBondContact O-N 2.98Å; D299-E301 PolarHBondContact O-N 3.06Å; E301-R303 VanDerWaalsContact C-N 3.32Å; E301-R303 PolarHBondContact O-N 2.75Å; E301-L304 WeakPolarHBondContact O-CB 3.07Å; E301-L304 PolarHBondContact O-N 2.8Å; E301-K305 VanDerWaalsContact CD-NZ 3.34Å; E301-K305 PolarHBondContact O-N 2.86Å; E301-K305 WeakPolarHBondContact OE1-CD 3.48Å; E301-K305 WeakPolarHBondContact OE1-CE 3.49Å; E301-K305 IonicContact OE1-NZ 3.89Å; E301-K305 PolarHBondContact OE1-NZ 3.22Å; E301-K305 WeakPolarHBondContact OE2-CD 3.35Å; E301-K305 IonicContact OE2-NZ 2.87Å; E301-K305 PolarHBondContact OE2-NZ 2.77Å; E301-Y311 HydrophobicContact CG-CE1 3.63Å; E301-Y311 WeakPolarHBondContact OE1-CE1 3.38Å; E301-Y311 PolarHBondContact OE1-OH 2.84Å
302	R	98.5	Very high	96.6	Very high	101 Å²	101	52.4 Å²	52.4	38%	0.381	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-38.5	175.2	-71.1	179.4	-179.9	-152.2	-6	112.2	D298 D299 K305 Y306 L343 A346 V347	D298-R302 WeakPolarHBondContact O-CG 3.28Å; D298-R302 PolarHBondContact O-N 3.36Å; D299-R302 PolarHBondContact O-N 2.89Å; R302-K305 PolarHBondContact O-N 3.09Å; R302-Y306 WeakPolarHBondContact O-CB 3.4Å; R302-Y306 PolarHBondContact O-N 3.23Å; R302-L343 PolarHBondContact NH1-O 3.23Å; R302-A346 HydrophobicContact CB-CB 4.11Å; R302-V347 HydrophobicContact CB-CG2 4.36Å
303	R	98	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-43.9	175.1	-64.7	175	-172.6	-137.7	-10.6	111.8	V283 G285 S287 D299 L300 E301 Y306 E307 M350 D353	V283-R303 HydrophobicContact CB-CB 4.03Å; V283-R303 HydrophobicContact CG1-CB 4.35Å; G285-R303 PolarHBondContact O-NH1 3.21Å; S287-R303 VanDerWaalsContact CA-NH2 3.34Å; S287-R303 VanDerWaalsContact CB-NH2 3.34Å; D299-R303 WeakPolarHBondContact O-CG 3.48Å; D299-R303 PolarHBondContact O-N 3.07Å; D299-R303 IonicContact OD1-CZ 3.45Å; D299-R303 IonicContact OD1-NE 3.77Å; D299-R303 PolarHBondContact OD1-NE 2.89Å; D299-R303 IonicContact OD1-NH2 2.74Å; D299-R303 PolarHBondContact OD1-NH2 3.42Å; L300-R303 WeakPolarHBondContact O-CB 3.46Å; L300-R303 PolarHBondContact O-N 2.85Å; E301-R303 VanDerWaalsContact C-N 3.32Å; E301-R303 PolarHBondContact O-N 2.75Å; R303-Y306 PolarHBondContact O-N 2.97Å; R303-E307 WeakPolarHBondContact O-CB 3.33Å; R303-E307 PolarHBondContact O-N 3.06Å; R303-M350 HydrophobicContact CB-CE 3.76Å; R303-M350 HydrophobicContact CB-SD 4.11Å; R303-M350 HydrophobicContact CG-CB 3.74Å; R303-M350 HydrophobicContact CG-CE 4.06Å; R303-M350 HydrophobicContact CG-SD 4.01Å; R303-D353 VanDerWaalsContact CZ-O 3.28Å; R303-D353 PolarHBondContact NH1-O 2.64Å; R303-D353 PolarHBondContact NH2-O 3.14Å; R303-D353 IonicContact NH2-OD2 3.5Å; R303-D353 PolarHBondContact NH2-OD2 3.2Å
304	L	98.4	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-48.9	176.2	-73.6	167.9	0	0	0	111.2	P249 I269 M275 V283 L300 E301 Y306 E307 K308 I309	P249-L304 HydrophobicContact CG-CD1 4.24Å; P249-L304 HydrophobicContact CG-CD2 3.8Å; I269-L304 HydrophobicContact CD1-CD1 3.86Å; M275-L304 HydrophobicContact CE-CD2 4.25Å; V283-L304 HydrophobicContact CG1-CD2 3.79Å; V283-L304 HydrophobicContact CG1-CG 4.27Å; L300-L304 HydrophobicContact CG-CD1 4.29Å; L300-L304 WeakPolarHBondContact O-CG 3.49Å; L300-L304 PolarHBondContact O-N 3.37Å; E301-L304 WeakPolarHBondContact O-CB 3.07Å; E301-L304 PolarHBondContact O-N 2.8Å; L304-Y306 PolarHBondContact O-N 3.29Å; L304-E307 CarbonylContact O-C 3.6Å; L304-E307 PolarHBondContact O-N 2.81Å; L304-K308 PolarHBondContact O-N 2.87Å; L304-K308 VanDerWaalsContact O-N 3.16Å; L304-I309 CarbonylContact C-O 3.55Å; L304-I309 HydrophobicContact CD2-CB 3.9Å; L304-I309 HydrophobicContact CD2-CD1 4.3Å; L304-I309 HydrophobicContact CD2-CG2 3.69Å; L304-I309 PolarHBondContact O-N 2.81Å
305	K	98.3	Very high	97.7	Very high	108 Å²	108	49.4 Å²	49.4	47%	0.47	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-44.5	176.4	-81.8	-179.4	168.2	150.3	0	112.6	E301 R302 E307 K308	E301-K305 VanDerWaalsContact CD-NZ 3.34Å; E301-K305 PolarHBondContact O-N 2.86Å; E301-K305 WeakPolarHBondContact OE1-CD 3.48Å; E301-K305 WeakPolarHBondContact OE1-CE 3.49Å; E301-K305 IonicContact OE1-NZ 3.89Å; E301-K305 PolarHBondContact OE1-NZ 3.22Å; E301-K305 WeakPolarHBondContact OE2-CD 3.35Å; E301-K305 IonicContact OE2-NZ 2.87Å; E301-K305 PolarHBondContact OE2-NZ 2.77Å; R302-K305 PolarHBondContact O-N 3.09Å; K305-E307 VanDerWaalsContact C-N 3.32Å; K305-E307 PolarHBondContact O-N 3.48Å; K305-K308 WeakPolarHBondContact O-CA 3.42Å; K305-K308 PolarHBondContact O-N 3.09Å
306	Y	97.3	Very high	97.6	Very high	122 Å²	122	50.7 Å²	50.7	48%	0.478	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-41.9	177.8	177.7	-104.9	0	0	0	112.1	R302 R303 L304 K308 V347 M350 H351	R302-Y306 WeakPolarHBondContact O-CB 3.4Å; R302-Y306 PolarHBondContact O-N 3.23Å; R303-Y306 PolarHBondContact O-N 2.97Å; L304-Y306 PolarHBondContact O-N 3.29Å; Y306-K308 PolarHBondContact O-N 3.47Å; Y306-V347 HydrophobicContact CD1-CG1 4.01Å; Y306-V347 HydrophobicContact CD2-CB 4.49Å; Y306-V347 HydrophobicContact CD2-CG1 3.26Å; Y306-V347 HydrophobicContact CD2-CG2 4.46Å; Y306-V347 HydrophobicContact CE1-CG1 4.22Å; Y306-V347 HydrophobicContact CE2-CG1 3.51Å; Y306-V347 HydrophobicContact CG-CG1 3.51Å; Y306-V347 HydrophobicContact CG-CG2 4.33Å; Y306-M350 HydrophobicContact CD1-CE 4.36Å; Y306-M350 HydrophobicContact CD1-SD 3.49Å; Y306-M350 WeakPolarHBondContact CD1-SD 3.42Å; Y306-M350 HydrophobicContact CE1-SD 4.09Å; Y306-M350 HydrophobicContact CG-SD 4.27Å; Y306-H351 AromaticContact CE1-NE2 3.81Å
307	E	96	Very high	97.5	Very high	32 Å²	32	53.2 Å²	53.2	15%	0.15	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	5	175.3	-71.3	-63.8	164.9	0	0	113.9	R282 V283 R303 L304 K305 I309 M350	R282-E307 HydrophobicContact CG-CG 4.4Å; R282-E307 IonicContact CZ-OE1 3.35Å; R282-E307 IonicContact CZ-OE2 3.96Å; R282-E307 IonicContact NE-OE1 2.64Å; R282-E307 IonicContact NE-OE2 2.78Å; R282-E307 PolarHBondContact NE-OE2 2.92Å; R282-E307 IonicContact NH2-OE1 3.95Å; R282-E307 IonicContact NH2-OE2 2.63Å; R282-E307 PolarHBondContact NH2-OE2 3.37Å; V283-E307 HydrophobicContact CG1-CB 4.22Å; V283-E307 HydrophobicContact CG1-CG 4.07Å; R303-E307 WeakPolarHBondContact O-CB 3.33Å; R303-E307 PolarHBondContact O-N 3.06Å; L304-E307 CarbonylContact O-C 3.6Å; L304-E307 PolarHBondContact O-N 2.81Å; K305-E307 VanDerWaalsContact C-N 3.32Å; K305-E307 PolarHBondContact O-N 3.48Å; E307-I309 HydrophobicContact CB-CD1 3.93Å; E307-I309 HydrophobicContact CB-CG1 4Å; E307-I309 PolarHBondContact O-N 2.7Å; E307-M350 HydrophobicContact CG-CE 3.71Å
308	K	97.8	Very high	97.4	Very high	186 Å²	186	54.9 Å²	54.9	81%	0.809	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.3	-177.3	-51.2	179.9	-175.7	178.4	0	112.7	L304 K305 Y306	L304-K308 PolarHBondContact O-N 2.87Å; L304-K308 VanDerWaalsContact O-N 3.16Å; K305-K308 WeakPolarHBondContact O-CA 3.42Å; K305-K308 PolarHBondContact O-N 3.09Å; Y306-K308 PolarHBondContact O-N 3.47Å
309	I	97.9	Very high	97.4	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.108	26%	0.255	C	S	.	.			trans	-93.9	106.1	174.3	-58.5	173.6	0	0	0	107	P249 R282 V283 L304 E307	P249-I309 VanDerWaalsContact CD-CG2 3.49Å; P249-I309 HydrophobicContact CG-CG2 4.14Å; R282-I309 HydrophobicContact CB-CD1 4.33Å; R282-I309 HydrophobicContact CG-CD1 4.02Å; V283-I309 HydrophobicContact CG1-CD1 3.98Å; L304-I309 CarbonylContact C-O 3.55Å; L304-I309 HydrophobicContact CD2-CB 3.9Å; L304-I309 HydrophobicContact CD2-CD1 4.3Å; L304-I309 HydrophobicContact CD2-CG2 3.69Å; L304-I309 PolarHBondContact O-N 2.81Å; E307-I309 HydrophobicContact CB-CD1 3.93Å; E307-I309 HydrophobicContact CB-CG1 4Å; E307-I309 PolarHBondContact O-N 2.7Å
310	N	98.2	Very high	97.3	Very high	113 Å²	113	57.4 Å²	57.4	60%	0.604	27%	0.269	S	S	*	.			trans	-64.1	164.5	171.1	-66	-40.8	0	0	0	110.4	Q248 P249	Q248-N310 WeakPolarHBondContact CB-O 3.18Å; P249-N310 VanDerWaalsContact CD-O 3.28Å; P249-N310 WeakPolarHBondContact CD-O 3.44Å
311	Y	98.3	Very high	97.3	Very high	49 Å²	49	57.4 Å²	57.4	19%	0.192	27%	0.269	C	S	.	.			trans	-131.1	155.2	168	54.3	-93.5	0	0	0	110.4	Q248 P249 E267 I269 E301 Q313	Q248-Y311 PolarHBondContact NE2-O 3.43Å; P249-Y311 CarbonylContact O-C 3.57Å; P249-Y311 VanDerWaalsContact O-CA 3.32Å; P249-Y311 WeakPolarHBondContact O-CA 3.39Å; E267-Y311 WeakPolarHBondContact CA-OH 3.22Å; I269-Y311 HydrophobicContact CG2-CD1 4.37Å; I269-Y311 HydrophobicContact CG2-CD2 3.76Å; I269-Y311 HydrophobicContact CG2-CE1 4.36Å; I269-Y311 HydrophobicContact CG2-CE2 3.74Å; I269-Y311 HydrophobicContact CG2-CG 4.08Å; E301-Y311 HydrophobicContact CG-CE1 3.63Å; E301-Y311 WeakPolarHBondContact OE1-CE1 3.38Å; E301-Y311 PolarHBondContact OE1-OH 2.84Å; Y311-Q313 HydrophobicContact CD2-CG 4.31Å; Y311-Q313 HydrophobicContact CE2-CG 4.33Å
312	Y	97.9	Very high	97.2	Very high	98 Å²	98	58.1 Å²	58.1	38%	0.384	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	176.6	178.8	-118.6	0	0	0	110.2	Q244 Q248 P249 V250 H251 M314	Q244-Y312 HydrophobicContact CG-CD1 4.36Å; Q248-Y312 VanDerWaalsContact NE2-CB 3.35Å; P249-Y312 PolarHBondContact O-N 2.81Å; V250-Y312 CarbonylContact C-O 3.51Å; V250-Y312 WeakPolarHBondContact CA-O 3.37Å; V250-Y312 HydrophobicContact CG1-CD1 4.12Å; H251-Y312 PolarHBondContact N-O 3.43Å; Y312-M314 HydrophobicContact CD1-CE 4.16Å; Y312-M314 HydrophobicContact CE1-CE 3.72Å; Y312-M314 HydrophobicContact CE1-SD 4.03Å
313	Q	97.9	Very high	97	Very high	55 Å²	55	54 Å²	54	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.3	169.3	-71.3	175.1	-19.3	0	0	109.6	H251 V254 L263 P266 L268 Y311	H251-Q313 HydrophobicContact CB-CG 4.02Å; V254-Q313 HydrophobicContact CG2-CB 4.06Å; L263-Q313 VanDerWaalsContact CD1-CD 3.46Å; L263-Q313 HydrophobicContact CD1-CG 4.49Å; L263-Q313 VanDerWaalsContact CD1-OE1 3.27Å; P266-Q313 PolarHBondContact O-NE2 3.26Å; L268-Q313 PolarHBondContact O-NE2 3.18Å; Y311-Q313 HydrophobicContact CD2-CG 4.31Å; Y311-Q313 HydrophobicContact CE2-CG 4.33Å
314	M	97.3	Very high	96.9	Very high	20 Å²	20	54.5 Å²	54.5	10%	0.099	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.3	139.7	178.9	-175.4	58.9	59.1	0	0	110.6	P238 V250 H251 V254 Y312 I318 A319	P238-M314 HydrophobicContact CG-CE 3.33Å; P238-M314 HydrophobicContact CG-SD 4.37Å; V250-M314 HydrophobicContact CG1-CE 3.8Å; H251-M314 WeakPolarHBondContact O-CB 3.14Å; H251-M314 PolarHBondContact O-N 3.2Å; V254-M314 WeakPolarHBondContact CB-O 3.26Å; V254-M314 WeakPolarHBondContact CG1-O 3.45Å; V254-M314 WeakPolarHBondContact CG2-O 3.42Å; Y312-M314 HydrophobicContact CD1-CE 4.16Å; Y312-M314 HydrophobicContact CE1-CE 3.72Å; Y312-M314 HydrophobicContact CE1-SD 4.03Å; M314-I318 HydrophobicContact CG-CB 4.42Å; M314-I318 HydrophobicContact CG-CG2 4.25Å; M314-I318 HydrophobicContact SD-CG2 4.37Å; M314-A319 HydrophobicContact CB-CB 3.66Å; M314-A319 HydrophobicContact CG-CB 3.59Å
315	S	96.3	Very high	96.5	Very high	43 Å²	43	59.9 Å²	59.9	30%	0.301	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-54.6	133.3	-178.4	175.6	0	0	0	0	111.7	S317 I318 A319	S315-S317 PolarHBondContact O-N 3.08Å; S315-S317 PolarHBondContact OG-N 3.25Å; S315-S317 PolarHBondContact OG-OG 3.09Å; S315-I318 PolarHBondContact O-N 2.82Å; S315-A319 PolarHBondContact O-N 2.7Å
316	P	93.5	Very high	95.8	Very high	55 Å²	55	58.8 Å²	58.8	36%	0.357	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.3	177.4	26.8	-34.6	0	0	0	113.7	V254 F261 I318 R320	V254-P316 HydrophobicContact CG1-CB 4.18Å; F261-P316 HydrophobicContact CB-CB 4.43Å; F261-P316 WeakPolarHBondContact O-CB 3.43Å; P316-I318 VanDerWaalsContact C-N 3.27Å; P316-R320 VanDerWaalsContact O-CG 3.22Å; P316-R320 WeakPolarHBondContact O-CG 3.44Å; P316-R320 PolarHBondContact O-NE 2.81Å
317	S	94.2	Very high	95	Very high	66 Å²	66	61.6 Å²	61.6	46%	0.462	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.1	166.9	63.2	0	0	0	0	112.8	N234 S315	N234-S317 PolarHBondContact ND2-O 3.16Å; S315-S317 PolarHBondContact O-N 3.08Å; S315-S317 PolarHBondContact OG-N 3.25Å; S315-S317 PolarHBondContact OG-OG 3.09Å
318	I	96.4	Very high	93.7	Very high	50 Å²	50	66 Å²	66	26%	0.256	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-49.2	-178.8	-66.9	171.7	0	0	0	111.1	N234 L236 N237 M314 S315 P316 R320	N234-I318 WeakPolarHBondContact CB-O 3.35Å; L236-I318 VanDerWaalsContact C-CG2 3.44Å; L236-I318 HydrophobicContact CB-CG2 4Å; L236-I318 WeakPolarHBondContact O-CG2 3.21Å; N237-I318 HydrophobicContact CB-CG2 4.25Å; M314-I318 HydrophobicContact CG-CB 4.42Å; M314-I318 HydrophobicContact CG-CG2 4.25Å; M314-I318 HydrophobicContact SD-CG2 4.37Å; S315-I318 PolarHBondContact O-N 2.82Å; P316-I318 VanDerWaalsContact C-N 3.27Å; I318-R320 VanDerWaalsContact C-N 3.25Å; I318-R320 PolarHBondContact O-N 3.24Å
319	A	97	Very high	92.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-77.2	69.3	-177.2	0	0	0	0	0	112.1	L252 V254 G255 M314 S315	L252-A319 WeakPolarHBondContact O-CB 3.23Å; V254-A319 HydrophobicContact CB-CB 4.05Å; V254-A319 HydrophobicContact CG2-CB 4.46Å; G255-A319 WeakPolarHBondContact CA-O 3.47Å; G255-A319 PolarHBondContact N-O 2.9Å; M314-A319 HydrophobicContact CB-CB 3.66Å; M314-A319 HydrophobicContact CG-CB 3.59Å; S315-A319 PolarHBondContact O-N 2.7Å
320	R	97.3	Very high	90.4	Very high	77 Å²	77	67.5 Å²	67.5	29%	0.291	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.3	-176.3	-65.1	-169.2	169.6	-158.7	-1	112.2	I233 N234 G255 F261 P316 I318	I233-R320 HydrophobicContact CD1-CB 4.3Å; I233-R320 HydrophobicContact CG1-CB 3.78Å; I233-R320 WeakPolarHBondContact CG1-O 3.44Å; I233-R320 PolarHBondContact N-O 3.46Å; N234-R320 HydrophobicContact CB-CB 4.29Å; G255-R320 CarbonylContact O-C 3.59Å; G255-R320 WeakPolarHBondContact O-CA 3.18Å; F261-R320 HydrophobicContact CD1-CB 3.96Å; F261-R320 HydrophobicContact CD1-CG 3.69Å; F261-R320 HydrophobicContact CE1-CB 3.78Å; F261-R320 HydrophobicContact CE1-CG 3.89Å; F261-R320 HydrophobicContact CG-CG 4.38Å; P316-R320 VanDerWaalsContact O-CG 3.22Å; P316-R320 WeakPolarHBondContact O-CG 3.44Å; P316-R320 PolarHBondContact O-NE 2.81Å; I318-R320 VanDerWaalsContact C-N 3.25Å; I318-R320 PolarHBondContact O-N 3.24Å
321	Y	97.9	Very high	88.5	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.4	178.8	-69	-98.6	0	0	0	111	H226 L230 A231 P232 N237 Y239 L252 G255 L256 D257 V272	H226-Y321 AromaticContact NE2-CE1 3.97Å; L230-Y321 HydrophobicContact CB-CD1 3.65Å; L230-Y321 HydrophobicContact CB-CE1 4.27Å; L230-Y321 HydrophobicContact CB-CG 4.26Å; L230-Y321 WeakPolarHBondContact O-CD1 3.34Å; A231-Y321 CarbonylContact O-C 3.58Å; A231-Y321 VanDerWaalsContact O-CA 3.28Å; A231-Y321 WeakPolarHBondContact O-CA 3.16Å; P232-Y321 HydrophobicContact CB-CD1 4.12Å; P232-Y321 HydrophobicContact CB-CE1 3.8Å; P232-Y321 HydrophobicContact CG-CE1 4.47Å; N237-Y321 WeakPolarHBondContact ND2-CE2 3.38Å; N237-Y321 VanDerWaalsContact ND2-CZ 3.31Å; N237-Y321 PolarHBondContact ND2-OH 3.25Å; Y239-Y321 VanDerWaalsContact CE2-OH 3.3Å; Y239-Y321 WeakPolarHBondContact CE2-OH 3.36Å; Y239-Y321 VanDerWaalsContact OH-CE1 3.3Å; Y239-Y321 WeakPolarHBondContact OH-CE1 3.32Å; Y239-Y321 PolarHBondContact OH-OH 2.99Å; L252-Y321 WeakPolarHBondContact O-CE2 3.1Å; G255-Y321 PolarHBondContact O-N 2.83Å; L256-Y321 HydrophobicContact CD2-CG 4.38Å; D257-Y321 PolarHBondContact N-O 3.3Å; V272-Y321 HydrophobicContact CG2-CD1 4.5Å; V272-Y321 HydrophobicContact CG2-CE1 3.72Å
322	K	96.8	Very high	86.6	Confident	24 Å²	24	77 Å²	77	10%	0.104	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.6	161.4	177.8	165.6	-168.9	70.8	0	108.4	V113 S114 K115 L117 A231 I233 D257 L324	V113-K322 HydrophobicContact CG2-CD 3.74Å; S114-K322 WeakPolarHBondContact O-CE 3.48Å; K115-K322 WeakPolarHBondContact O-CE 3.49Å; K115-K322 PolarHBondContact O-NZ 2.92Å; L117-K322 HydrophobicContact CB-CD 3.94Å; L117-K322 HydrophobicContact CD2-CD 4.27Å; A231-K322 HydrophobicContact CB-CB 4.34Å; A231-K322 PolarHBondContact N-O 3.38Å; A231-K322 PolarHBondContact O-N 3.44Å; I233-K322 HydrophobicContact CG2-CB 3.83Å; D257-K322 IonicContact OD2-NZ 2.81Å; K322-L324 HydrophobicContact CG-CD2 4.31Å
323	A	95.3	Very high	84.9	Confident	15 Å²	15	73.6 Å²	73.6	12%	0.124	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.6	172.3	0	0	0	0	0	109.1	L230 L256 D257 I258	L230-A323 HydrophobicContact CD2-CB 4.17Å; L256-A323 HydrophobicContact CD1-CB 4.25Å; D257-A323 PolarHBondContact OD1-N 3.18Å; I258-A323 HydrophobicContact CD1-CB 3.67Å; I258-A323 HydrophobicContact CG1-CB 3.68Å; I258-A323 HydrophobicContact CG2-CB 4.14Å
324	L	95	Very high	83.3	Confident	10 Å²	10	72.9 Å²	72.9	5%	0.052	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-87.2	131	-176.8	-61	174.6	0	0	0	110	L117 Q169 V173 D229 A231 K322 H326	L117-L324 HydrophobicContact CB-CD2 4.15Å; L117-L324 HydrophobicContact CD2-CD2 4.3Å; Q169-L324 HydrophobicContact CB-CB 4.29Å; Q169-L324 HydrophobicContact CB-CD1 3.93Å; Q169-L324 HydrophobicContact CG-CB 3.83Å; Q169-L324 HydrophobicContact CG-CD1 4.35Å; Q169-L324 WeakPolarHBondContact O-CD1 3.33Å; V173-L324 HydrophobicContact CG2-CD1 3.76Å; D229-L324 HydrophobicContact CB-CB 4.17Å; D229-L324 WeakPolarHBondContact O-CB 3.32Å; D229-L324 WeakPolarHBondContact O-CG 3.5Å; D229-L324 PolarHBondContact O-N 2.8Å; A231-L324 HydrophobicContact CB-CD1 4.44Å; K322-L324 HydrophobicContact CG-CD2 4.31Å; L324-H326 PolarHBondContact O-CD2 2.86Å
325	P	90.1	Very high	82.4	Confident	113 Å²	113	72.4 Å²	72.4	73%	0.734	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-56.9	142.6	179.5	-24.8	33.5	0	0	0	112.2	Q169	Q169-P325 PolarHBondContact NE2-O 3.43Å
326	H	84.1	Confident	81.9	Confident	86 Å²	86	78.3 Å²	78.3	40%	0.398	39%	0.393	S	S	.	.			trans	-152.5	160.7	176.3	62.1	76.6	0	0	0	110.7	R166 D229 L324 T328	R166-H326 PolarHBondContact NH1-CD2 2.84Å; R166-H326 PolarHBondContact NH2-ND1 2.67Å; D229-H326 IonicContact OD2-CD2 3.87Å; D229-H326 PolarHBondContact OD2-CD2 2.74Å; D229-H326 IonicContact OD2-CG 2.73Å; D229-H326 IonicContact OD2-NE2 3Å; D229-H326 PolarHBondContact OD2-NE2 3.29Å; L324-H326 PolarHBondContact O-CD2 2.86Å; H326-T328 PolarHBondContact O-N 2.98Å
327	E	79.1	Confident	81.7	Confident	181 Å²	181	78.3 Å²	78.3	85%	0.846	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-60.2	133.1	171	-66.1	-175.9	-177.4	0	0	109.6
328	T	69.4	Low	81.5	Confident	123 Å²	123	75.2 Å²	75.2	76%	0.755	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-71.7	132.2	175.7	-56.7	0	0	0	0	108.1	H326 K330	H326-T328 PolarHBondContact O-N 2.98Å; T328-K330 PolarHBondContact O-N 3.37Å
329	Q	65.4	Low	81.4	Confident	74 Å²	74	72.8 Å²	72.8	35%	0.346	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59	134.4	172.9	-71.6	-171.4	9.1	0	0	109.3	K331	Q329-K331 PolarHBondContact O-N 2.94Å
330	K	61.6	Low	81.2	Confident	166 Å²	166	76.6 Å²	76.6	72%	0.722	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-59.3	126.7	178.4	-69	-174.4	177.9	-174.9	0	109.4	T328 E332 G333	T328-K330 PolarHBondContact O-N 3.37Å; K330-E332 PolarHBondContact O-N 3.16Å; K330-G333 PolarHBondContact O-N 3.37Å; K330-G333 VanDerWaalsContact O-N 3.08Å
331	K	58	Low	81	Confident	189 Å²	189	77.1 Å²	77.1	82%	0.822	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-58.4	-28.8	178.5	-71.1	-176	178.2	178.2	0	113	Q329 G333 N334	Q329-K331 PolarHBondContact O-N 2.94Å; K331-G333 PolarHBondContact O-N 3.22Å; K331-N334 PolarHBondContact O-N 3.12Å
332	E	58.6	Low	80.9	Confident	172 Å²	172	77.1 Å²	77.1	80%	0.804	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-57.1	-28.9	176.7	-68.9	172	176.5	0	0	112.6	K330	K330-E332 PolarHBondContact O-N 3.16Å
333	G	61	Low	80.9	Confident	26 Å²	26	76.6 Å²	76.6	27%	0.268	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-91.2	4.3	174.8	0	0	0	0	0	114.6	L200 K330 K331 P335	L200-G333 WeakPolarHBondContact CD1-O 3.29Å; L200-G333 VanDerWaalsContact CD2-O 3.28Å; L200-G333 WeakPolarHBondContact CD2-O 3.21Å; K330-G333 PolarHBondContact O-N 3.37Å; K330-G333 VanDerWaalsContact O-N 3.08Å; K331-G333 PolarHBondContact O-N 3.22Å; G333-P335 VanDerWaalsContact O-CD 3.26Å; G333-P335 WeakPolarHBondContact O-CD 3.31Å
334	N	65.6	Low	80.9	Confident	41 Å²	41	78.9 Å²	78.9	22%	0.219	40%	0.401	C	S	.	.			trans	-111.8	93	-176.1	-170.5	-5.9	0	0	0	111.8	W293 K331 R336 H339	W293-N334 VanDerWaalsContact O-CG 3.29Å; W293-N334 PolarHBondContact O-ND2 3.01Å; W293-N334 PolarHBondContact O-OD1 3.28Å; W293-N334 VanDerWaalsContact O-OD1 3.09Å; K331-N334 PolarHBondContact O-N 3.12Å; N334-R336 PolarHBondContact O-N 3.49Å; N334-H339 PolarHBondContact OD1-CE1 3.42Å; N334-H339 PolarHBondContact OD1-ND1 2.85Å
335	P	79	Confident	80.9	Confident	10 Å²	10	79.3 Å²	79.3	7%	0.065	40%	0.404	C	S	.	.			trans	-82.5	80.2	-173.6	34.8	-36.7	0	0	0	111.6	G333 A337 I338 H339 Y385 Y389	G333-P335 VanDerWaalsContact O-CD 3.26Å; G333-P335 WeakPolarHBondContact O-CD 3.31Å; P335-A337 PolarHBondContact O-N 3.41Å; P335-I338 HydrophobicContact CB-CB 3.97Å; P335-I338 HydrophobicContact CB-CD1 3.78Å; P335-I338 HydrophobicContact CB-CG1 3.97Å; P335-I338 HydrophobicContact CG-CB 4.03Å; P335-I338 HydrophobicContact CG-CD1 4.01Å; P335-I338 HydrophobicContact CG-CG1 4.39Å; P335-I338 WeakPolarHBondContact O-CA 3.1Å; P335-I338 WeakPolarHBondContact O-CB 3.21Å; P335-I338 PolarHBondContact O-N 3.18Å; P335-H339 PolarHBondContact O-N 3.01Å; P335-Y385 HydrophobicContact CG-CD1 3.46Å; P335-Y385 VanDerWaalsContact CG-CD1 3.46Å; P335-Y385 HydrophobicContact CG-CE1 3.26Å; P335-Y389 HydrophobicContact CB-CE2 4.01Å; P335-Y389 WeakPolarHBondContact CB-OH 3.48Å
336	R	85.4	Confident	81.2	Confident	166 Å²	166	74 Å²	74	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-49	-39.5	179	-175.5	-179.7	179.5	96.7	-0.5	113	N334 I338 H339 L340	N334-R336 PolarHBondContact O-N 3.49Å; R336-I338 VanDerWaalsContact C-N 3.34Å; R336-I338 PolarHBondContact O-N 3.25Å; R336-H339 PolarHBondContact O-N 2.93Å; R336-L340 HydrophobicContact CG-CD1 3.93Å; R336-L340 HydrophobicContact CG-CG 4.2Å; R336-L340 WeakPolarHBondContact O-CB 3.33Å; R336-L340 VanDerWaalsContact O-CG 3.23Å; R336-L340 WeakPolarHBondContact O-CG 3.4Å; R336-L340 PolarHBondContact O-N 3.35Å
337	A	88.1	Confident	81.7	Confident	55 Å²	55	71.7 Å²	71.7	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-40.6	178.6	0	0	0	0	0	112.5	P335 K341	P335-A337 PolarHBondContact O-N 3.41Å; A337-K341 WeakPolarHBondContact O-CB 3.41Å; A337-K341 PolarHBondContact O-N 3.03Å
338	I	90.6	Very high	82.3	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-48.2	175.2	-67.1	-178	0	0	0	110.1	C48 L52 P335 R336 L340 K341 L342 F384 Y385 Y389	C48-I338 HydrophobicContact CB-CD1 4.37Å; L52-I338 HydrophobicContact CD2-CB 4.34Å; L52-I338 HydrophobicContact CD2-CG1 4.35Å; L52-I338 HydrophobicContact CD2-CG2 4.02Å; P335-I338 HydrophobicContact CB-CB 3.97Å; P335-I338 HydrophobicContact CB-CD1 3.78Å; P335-I338 HydrophobicContact CB-CG1 3.97Å; P335-I338 HydrophobicContact CG-CB 4.03Å; P335-I338 HydrophobicContact CG-CD1 4.01Å; P335-I338 HydrophobicContact CG-CG1 4.39Å; P335-I338 WeakPolarHBondContact O-CA 3.1Å; P335-I338 WeakPolarHBondContact O-CB 3.21Å; P335-I338 PolarHBondContact O-N 3.18Å; R336-I338 VanDerWaalsContact C-N 3.34Å; R336-I338 PolarHBondContact O-N 3.25Å; I338-L340 VanDerWaalsContact C-N 3.31Å; I338-L340 PolarHBondContact O-N 2.99Å; I338-K341 WeakPolarHBondContact O-CB 3.32Å; I338-K341 PolarHBondContact O-N 2.81Å; I338-K341 VanDerWaalsContact O-N 3.08Å; I338-L342 HydrophobicContact CG2-CD1 3.94Å; I338-L342 HydrophobicContact CG2-CG 4.29Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 3.41Å; I338-F384 HydrophobicContact CD1-CD2 4.16Å; I338-F384 WeakPolarHBondContact CD1-O 3.49Å; I338-F384 HydrophobicContact CG2-CD2 4.01Å; I338-F384 HydrophobicContact CG2-CE2 4.05Å; I338-Y385 HydrophobicContact CG2-CE1 4.08Å; I338-Y385 HydrophobicContact CG2-CE2 4.24Å; I338-Y389 WeakPolarHBondContact CD1-OH 3.09Å
339	H	93.4	Very high	83.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-41.1	-179.9	-69.4	-170.5	0	0	0	111.8	Y290 W291 G294 Q295 N334 P335 R336 K341 L342 L343 Y385	Y290-H339 HydrophobicContact CD1-CB 4.45Å; Y290-H339 HydrophobicContact CE1-CB 4.33Å; W291-H339 PolarHBondContact O-NE2 2.8Å; G294-H339 PolarHBondContact O-ND1 3.08Å; G294-H339 VanDerWaalsContact O-ND1 3.09Å; Q295-H339 HydrophobicContact CB-CB 4.18Å; Q295-H339 HydrophobicContact CG-CB 4.19Å; Q295-H339 PolarHBondContact OE1-ND1 3.38Å; N334-H339 PolarHBondContact OD1-CE1 3.42Å; N334-H339 PolarHBondContact OD1-ND1 2.85Å; P335-H339 PolarHBondContact O-N 3.01Å; R336-H339 PolarHBondContact O-N 2.93Å; H339-K341 PolarHBondContact O-N 2.83Å; H339-L342 PolarHBondContact O-N 3.07Å; H339-L343 WeakPolarHBondContact O-CB 3.38Å; H339-L343 PolarHBondContact O-N 3.47Å; H339-Y385 PolarHBondContact CD2-OH 3.48Å; H339-Y385 AromaticContact NE2-CE1 3.61Å; H339-Y385 AromaticContact NE2-CZ 3.86Å; H339-Y385 PolarHBondContact NE2-OH 3.19Å; H339-Y385 VanDerWaalsContact NE2-OH 3.14Å
340	L	93.3	Very high	84.7	Confident	80 Å²	80	58.8 Å²	58.8	42%	0.419	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-37.8	175.2	-69.9	174.9	0	0	0	112.2	R336 I338 L343 S344	R336-L340 HydrophobicContact CG-CD1 3.93Å; R336-L340 HydrophobicContact CG-CG 4.2Å; R336-L340 WeakPolarHBondContact O-CB 3.33Å; R336-L340 VanDerWaalsContact O-CG 3.23Å; R336-L340 WeakPolarHBondContact O-CG 3.4Å; R336-L340 PolarHBondContact O-N 3.35Å; I338-L340 VanDerWaalsContact C-N 3.31Å; I338-L340 PolarHBondContact O-N 2.99Å; L340-L343 PolarHBondContact O-N 3.26Å; L340-S344 WeakPolarHBondContact O-CB 3.47Å; L340-S344 PolarHBondContact O-N 2.89Å
341	K	92.8	Very high	85.8	Confident	87 Å²	87	53.6 Å²	53.6	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-43.8	175.4	-176	67.2	172.2	-169.9	0	111.7	L52 L56 A337 I338 H339 L343 S344 T345	L52-K341 HydrophobicContact CD2-CB 3.67Å; L52-K341 HydrophobicContact CD2-CG 3.52Å; L52-K341 HydrophobicContact CG-CG 4.25Å; L56-K341 HydrophobicContact CD1-CG 4.33Å; A337-K341 WeakPolarHBondContact O-CB 3.41Å; A337-K341 PolarHBondContact O-N 3.03Å; I338-K341 WeakPolarHBondContact O-CB 3.32Å; I338-K341 PolarHBondContact O-N 2.81Å; I338-K341 VanDerWaalsContact O-N 3.08Å; H339-K341 PolarHBondContact O-N 2.83Å; K341-L343 VanDerWaalsContact C-N 3.35Å; K341-S344 PolarHBondContact O-N 3.36Å; K341-S344 PolarHBondContact O-OG 3.41Å; K341-T345 PolarHBondContact O-N 2.82Å; K341-T345 PolarHBondContact O-OG1 2.48Å
342	L	95.8	Very high	87.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-46.8	172.5	-72.6	174.8	0	0	0	111.1	L52 L56 L289 Y290 I338 H339 S344 T345 A346 R349 Y385	L52-L342 HydrophobicContact CD1-CD2 3.7Å; L52-L342 HydrophobicContact CD1-CG 4.23Å; L56-L342 HydrophobicContact CD2-CD2 4.43Å; L289-L342 HydrophobicContact CB-CD1 4.09Å; L289-L342 HydrophobicContact CB-CD2 3.96Å; L289-L342 HydrophobicContact CD1-CD2 3.89Å; L289-L342 WeakPolarHBondContact O-CD1 3.24Å; Y290-L342 HydrophobicContact CD1-CD1 4.25Å; Y290-L342 HydrophobicContact CE1-CB 3.86Å; Y290-L342 HydrophobicContact CE1-CD1 4.22Å; Y290-L342 HydrophobicContact CE2-CB 4.48Å; I338-L342 HydrophobicContact CG2-CD1 3.94Å; I338-L342 HydrophobicContact CG2-CG 4.29Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 3.41Å; H339-L342 PolarHBondContact O-N 3.07Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 2.83Å; L342-T345 CarbonylContact O-C 3.49Å; L342-T345 PolarHBondContact O-N 3.4Å; L342-T345 PolarHBondContact O-OG1 3.49Å; L342-A346 PolarHBondContact O-N 3.2Å; L342-A346 VanDerWaalsContact O-N 3.16Å; L342-R349 PolarHBondContact O-NE 3.08Å; L342-Y385 WeakPolarHBondContact CD1-OH 3.42Å
343	L	96.9	Very high	88.8	Confident	13 Å²	13	38.1 Å²	38.1	7%	0.068	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-38.9	-179.3	-175.8	64.2	0	0	0	111.7	Y290 Q295 D298 D299 R302 H339 L340 K341 T345 A346	Y290-L343 WeakPolarHBondContact OH-CA 3.19Å; Y290-L343 PolarHBondContact OH-N 3.05Å; Y290-L343 VanDerWaalsContact OH-N 3.07Å; Q295-L343 HydrophobicContact CB-CB 4.5Å; Q295-L343 HydrophobicContact CB-CD2 4.35Å; Q295-L343 HydrophobicContact CG-CD2 3.87Å; D298-L343 HydrophobicContact CB-CD1 3.71Å; D298-L343 HydrophobicContact CB-CD2 4.2Å; D299-L343 HydrophobicContact CB-CD1 4.26Å; R302-L343 PolarHBondContact NH1-O 3.23Å; H339-L343 WeakPolarHBondContact O-CB 3.38Å; H339-L343 PolarHBondContact O-N 3.47Å; L340-L343 PolarHBondContact O-N 3.26Å; K341-L343 VanDerWaalsContact C-N 3.35Å; L343-T345 PolarHBondContact O-N 2.66Å; L343-T345 VanDerWaalsContact O-N 3.12Å; L343-A346 WeakPolarHBondContact O-CB 3.48Å; L343-A346 PolarHBondContact O-N 2.8Å
344	S	96.1	Very high	90.4	Very high	63 Å²	63	36.9 Å²	36.9	44%	0.441	19%	0.189	S	C	.	.	H	α-helix	trans	-61.1	-19	175.7	77.3	0	0	0	0	113.8	L340 K341 L342	L340-S344 WeakPolarHBondContact O-CB 3.47Å; L340-S344 PolarHBondContact O-N 2.89Å; K341-S344 PolarHBondContact O-N 3.36Å; K341-S344 PolarHBondContact O-OG 3.41Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 2.83Å
345	T	95.1	Very high	91.7	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.117	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	8.9	-178.2	54	0	0	0	0	113.3	L56 K341 L342 L343 V347 Q348 R349	L56-T345 HydrophobicContact CD1-CG2 4.35Å; K341-T345 PolarHBondContact O-N 2.82Å; K341-T345 PolarHBondContact O-OG1 2.48Å; L342-T345 CarbonylContact O-C 3.49Å; L342-T345 PolarHBondContact O-N 3.4Å; L342-T345 PolarHBondContact O-OG1 3.49Å; L343-T345 PolarHBondContact O-N 2.66Å; L343-T345 VanDerWaalsContact O-N 3.12Å; T345-V347 VanDerWaalsContact C-N 3.35Å; T345-V347 PolarHBondContact O-N 3.39Å; T345-Q348 VanDerWaalsContact C-OE1 3.31Å; T345-Q348 VanDerWaalsContact CA-OE1 3.31Å; T345-Q348 PolarHBondContact O-N 3.46Å; T345-Q348 PolarHBondContact O-OE1 2.91Å; T345-R349 WeakPolarHBondContact O-CB 3.24Å; T345-R349 VanDerWaalsContact O-CG 3.24Å; T345-R349 WeakPolarHBondContact O-CG 3.42Å; T345-R349 PolarHBondContact O-N 3.06Å; T345-R349 WeakPolarHBondContact OG1-CD 3.23Å; T345-R349 PolarHBondContact OG1-NE 3.22Å
346	A	96.7	Very high	92.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-48.2	-51.6	-175.3	0	0	0	0	0	113.3	D299 R302 L342 L343 R349 M350	D299-A346 HydrophobicContact CB-CB 4.32Å; D299-A346 VanDerWaalsContact CG-CB 3.43Å; D299-A346 WeakPolarHBondContact OD2-CA 3.33Å; D299-A346 WeakPolarHBondContact OD2-CB 3.41Å; R302-A346 HydrophobicContact CB-CB 4.11Å; L342-A346 PolarHBondContact O-N 3.2Å; L342-A346 VanDerWaalsContact O-N 3.16Å; L343-A346 WeakPolarHBondContact O-CB 3.48Å; L343-A346 PolarHBondContact O-N 2.8Å; A346-R349 PolarHBondContact O-N 3.34Å; A346-M350 WeakPolarHBondContact O-CB 3.42Å; A346-M350 PolarHBondContact O-N 2.84Å
347	V	93.7	Very high	92.5	Very high	39 Å²	39	29.6 Å²	29.6	24%	0.236	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-42.6	-177.5	173.1	0	0	0	0	111.8	R302 Y306 T345 R349 M350	R302-V347 HydrophobicContact CB-CG2 4.36Å; Y306-V347 HydrophobicContact CD1-CG1 4.01Å; Y306-V347 HydrophobicContact CD2-CB 4.49Å; Y306-V347 HydrophobicContact CD2-CG1 3.26Å; Y306-V347 HydrophobicContact CD2-CG2 4.46Å; Y306-V347 HydrophobicContact CE1-CG1 4.22Å; Y306-V347 HydrophobicContact CE2-CG1 3.51Å; Y306-V347 HydrophobicContact CG-CG1 3.51Å; Y306-V347 HydrophobicContact CG-CG2 4.33Å; T345-V347 VanDerWaalsContact C-N 3.35Å; T345-V347 PolarHBondContact O-N 3.39Å; V347-R349 VanDerWaalsContact C-N 3.31Å; V347-R349 PolarHBondContact O-N 3.04Å; V347-M350 VanDerWaalsContact O-CG 3.32Å; V347-M350 WeakPolarHBondContact O-CG 3.49Å
348	Q	91.4	Very high	92.7	Very high	104 Å²	104	28 Å²	28	49%	0.486	15%	0.15	S	C	.	.	H	α-helix	trans	-66.5	-36.7	179	-63.1	82.8	-6.4	0	0	111.1	Y60 T345	Y60-Q348 HydrophobicContact CE1-CB 3.73Å; T345-Q348 VanDerWaalsContact C-OE1 3.31Å; T345-Q348 VanDerWaalsContact CA-OE1 3.31Å; T345-Q348 PolarHBondContact O-N 3.46Å; T345-Q348 PolarHBondContact O-OE1 2.91Å
349	R	92.7	Very high	92.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-78.7	-26.5	-178.6	-66.3	179	-39.4	107.1	3.6	113.4	L56 Y60 S287 D299 L342 T345 A346 V347 H351 H352 D353	L56-R349 HydrophobicContact CD2-CG 4.07Å; Y60-R349 HydrophobicContact CE1-CG 4.33Å; S287-R349 PolarHBondContact OG-NH1 3.2Å; S287-R349 PolarHBondContact OG-NH2 3.24Å; D299-R349 IonicContact OD2-CZ 3.86Å; D299-R349 IonicContact OD2-NH2 2.7Å; D299-R349 PolarHBondContact OD2-NH2 2.78Å; L342-R349 PolarHBondContact O-NE 3.08Å; T345-R349 WeakPolarHBondContact O-CB 3.24Å; T345-R349 VanDerWaalsContact O-CG 3.24Å; T345-R349 WeakPolarHBondContact O-CG 3.42Å; T345-R349 PolarHBondContact O-N 3.06Å; T345-R349 WeakPolarHBondContact OG1-CD 3.23Å; T345-R349 PolarHBondContact OG1-NE 3.22Å; A346-R349 PolarHBondContact O-N 3.34Å; V347-R349 VanDerWaalsContact C-N 3.31Å; V347-R349 PolarHBondContact O-N 3.04Å; R349-H351 PolarHBondContact O-N 2.82Å; R349-H352 CarbonylContact O-C 3.55Å; R349-H352 WeakPolarHBondContact O-CA 3.44Å; R349-H352 PolarHBondContact O-N 3.2Å; R349-D353 HydrophobicContact CB-CB 4.22Å; R349-D353 IonicContact CZ-OD2 2.99Å; R349-D353 IonicContact NH1-OD2 2.69Å; R349-D353 PolarHBondContact NH1-OD2 2.93Å; R349-D353 IonicContact NH2-OD2 3.32Å; R349-D353 PolarHBondContact O-N 2.88Å
350	M	92.2	Very high	93.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.4	-166.1	76.8	-176.1	-80.3	0	0	114.8	V283 N284 R303 Y306 E307 A346 V347 H352	V283-M350 HydrophobicContact CB-CE 4.25Å; N284-M350 WeakPolarHBondContact CB-O 3.43Å; N284-M350 PolarHBondContact ND2-O 2.94Å; R303-M350 HydrophobicContact CB-CE 3.76Å; R303-M350 HydrophobicContact CB-SD 4.11Å; R303-M350 HydrophobicContact CG-CB 3.74Å; R303-M350 HydrophobicContact CG-CE 4.06Å; R303-M350 HydrophobicContact CG-SD 4.01Å; Y306-M350 HydrophobicContact CD1-CE 4.36Å; Y306-M350 HydrophobicContact CD1-SD 3.49Å; Y306-M350 WeakPolarHBondContact CD1-SD 3.42Å; Y306-M350 HydrophobicContact CE1-SD 4.09Å; Y306-M350 HydrophobicContact CG-SD 4.27Å; E307-M350 HydrophobicContact CG-CE 3.71Å; A346-M350 WeakPolarHBondContact O-CB 3.42Å; A346-M350 PolarHBondContact O-N 2.84Å; V347-M350 VanDerWaalsContact O-CG 3.32Å; V347-M350 WeakPolarHBondContact O-CG 3.49Å; M350-H352 VanDerWaalsContact C-N 3.32Å
351	H	86.1	Confident	93.3	Very high	58 Å²	58	41.2 Å²	41.2	27%	0.269	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.6	176.6	-58.9	-58.6	0	0	0	113.6	I64 S67 Y306 R349	I64-H351 HydrophobicContact CD1-CB 3.84Å; S67-H351 WeakPolarHBondContact CB-O 3.43Å; S67-H351 PolarHBondContact OG-O 3.33Å; Y306-H351 AromaticContact CE1-NE2 3.81Å; R349-H351 PolarHBondContact O-N 2.82Å
352	H	87.2	Confident	93.6	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.153	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-17.9	-176.5	-46.5	93.8	0	0	0	113	L59 I64 R349 M350 S357	L59-H352 PolarHBondContact O-CD2 3.49Å; I64-H352 WeakPolarHBondContact CD1-NE2 3.38Å; R349-H352 CarbonylContact O-C 3.55Å; R349-H352 WeakPolarHBondContact O-CA 3.44Å; R349-H352 PolarHBondContact O-N 3.2Å; M350-H352 VanDerWaalsContact C-N 3.32Å; H352-S357 VanDerWaalsContact O-CB 3.24Å; H352-S357 WeakPolarHBondContact O-CB 3.26Å; H352-S357 PolarHBondContact O-OG 3.49Å
353	D	92.3	Very high	93.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-125.1	107.8	-175.6	171.1	33.8	0	0	0	111.4	S287 N288 R303 R349 S357	S287-D353 WeakPolarHBondContact CA-OD2 3.42Å; S287-D353 WeakPolarHBondContact CB-OD2 3.5Å; S287-D353 PolarHBondContact OG-OD2 2.84Å; N288-D353 WeakPolarHBondContact CB-OD1 3.29Å; N288-D353 PolarHBondContact N-OD1 2.01Å; R303-D353 VanDerWaalsContact CZ-O 3.28Å; R303-D353 PolarHBondContact NH1-O 2.64Å; R303-D353 PolarHBondContact NH2-O 3.14Å; R303-D353 IonicContact NH2-OD2 3.5Å; R303-D353 PolarHBondContact NH2-OD2 3.2Å; R349-D353 HydrophobicContact CB-CB 4.22Å; R349-D353 IonicContact CZ-OD2 2.99Å; R349-D353 IonicContact NH1-OD2 2.69Å; R349-D353 PolarHBondContact NH1-OD2 2.93Å; R349-D353 IonicContact NH2-OD2 3.32Å; R349-D353 PolarHBondContact O-N 2.88Å; D353-S357 WeakPolarHBondContact CA-OG 3.48Å
354	G	94.5	Very high	93.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	157.7	-139.3	175.2	0	0	0	0	0	113	N284 H286 N288 S356 S357 L358	N284-G354 CarbonylContact O-C 3.51Å; N284-G354 VanDerWaalsContact O-CA 3.23Å; N284-G354 WeakPolarHBondContact O-CA 2.91Å; H286-G354 WeakPolarHBondContact O-CA 3.26Å; N288-G354 PolarHBondContact ND2-N 2.97Å; N288-G354 PolarHBondContact ND2-O 3.11Å; G354-S356 VanDerWaalsContact C-N 3.27Å; G354-S356 PolarHBondContact O-N 3.12Å; G354-S357 PolarHBondContact N-OG 2.85Å; G354-S357 VanDerWaalsContact N-OG 3.08Å; G354-S357 PolarHBondContact O-N 3.13Å; G354-S357 PolarHBondContact O-OG 3.2Å; G354-L358 PolarHBondContact O-N 3.07Å
355	L	93.3	Very high	93.9	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.2	-40.4	-179.7	-69.4	171.6	0	0	0	113	T71 N208 F211 M212 F280 N284 S357 L358	T71-L355 HydrophobicContact CG2-CB 3.94Å; T71-L355 HydrophobicContact CG2-CD1 4.07Å; N208-L355 HydrophobicContact CB-CD2 3.87Å; F211-L355 HydrophobicContact CD1-CD1 4.33Å; F211-L355 HydrophobicContact CD1-CD2 4.14Å; F211-L355 HydrophobicContact CE1-CD1 4.36Å; M212-L355 HydrophobicContact CG-CD2 3.93Å; M212-L355 HydrophobicContact SD-CD2 4.13Å; F280-L355 HydrophobicContact CD1-CD1 3.88Å; F280-L355 HydrophobicContact CE1-CD1 3.88Å; F280-L355 HydrophobicContact CE1-CD2 3.95Å; F280-L355 HydrophobicContact CE1-CG 4.24Å; N284-L355 PolarHBondContact O-N 2.63Å; N284-L355 PolarHBondContact OD1-N 2.9Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 3.32Å; L355-L358 WeakPolarHBondContact O-CB 2.98Å; L355-L358 PolarHBondContact O-N 2.94Å
356	S	89.1	Confident	94.1	Very high	13 Å²	13	50.4 Å²	50.4	9%	0.091	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.3	-32.9	-178.1	61.8	0	0	0	0	113.3	K74 N284 G354	K74-S356 PolarHBondContact NZ-O 3.07Å; N284-S356 PolarHBondContact ND2-OG 3.48Å; N284-S356 WeakPolarHBondContact OD1-CB 3.5Å; N284-S356 PolarHBondContact OD1-N 2.73Å; N284-S356 PolarHBondContact OD1-OG 3.42Å; G354-S356 VanDerWaalsContact C-N 3.27Å; G354-S356 PolarHBondContact O-N 3.12Å
357	S	90.5	Very high	94.1	Very high	45 Å²	45	53.8 Å²	53.8	32%	0.315	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-106.7	6.2	-178.1	53.3	0	0	0	0	114.3	H352 D353 G354 L355 K359	H352-S357 VanDerWaalsContact O-CB 3.24Å; H352-S357 WeakPolarHBondContact O-CB 3.26Å; H352-S357 PolarHBondContact O-OG 3.49Å; D353-S357 WeakPolarHBondContact CA-OG 3.48Å; G354-S357 PolarHBondContact N-OG 2.85Å; G354-S357 VanDerWaalsContact N-OG 3.08Å; G354-S357 PolarHBondContact O-N 3.13Å; G354-S357 PolarHBondContact O-OG 3.2Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 3.32Å; S357-K359 PolarHBondContact O-N 3.24Å
358	L	93.7	Very high	94.3	Very high	20 Å²	20	54.4 Å²	54.4	11%	0.105	27%	0.265	C	S	.	.			trans	-61.4	125.9	-179	-170.7	69.9	0	0	0	111.9	M205 N208 V209 M212 N288 G354 L355 Y360	M205-L358 HydrophobicContact CE-CD1 4.06Å; M205-L358 HydrophobicContact CG-CD1 3.6Å; N208-L358 HydrophobicContact CB-CD1 3.72Å; N208-L358 HydrophobicContact CB-CD2 3.87Å; N208-L358 HydrophobicContact CB-CG 4.39Å; V209-L358 HydrophobicContact CG2-CD1 4.07Å; V209-L358 HydrophobicContact CG2-CD2 4.09Å; V209-L358 HydrophobicContact CG2-CG 4.35Å; M212-L358 HydrophobicContact CB-CD2 4.45Å; M212-L358 HydrophobicContact CG-CD2 3.86Å; N288-L358 VanDerWaalsContact OD1-CD1 3.32Å; N288-L358 WeakPolarHBondContact OD1-CD1 3.07Å; G354-L358 PolarHBondContact O-N 3.07Å; L355-L358 WeakPolarHBondContact O-CB 2.98Å; L355-L358 PolarHBondContact O-N 2.94Å; L358-Y360 HydrophobicContact CD2-CD1 3.95Å; L358-Y360 HydrophobicContact CD2-CE1 3.62Å; L358-Y360 HydrophobicContact CG-CD1 3.83Å; L358-Y360 HydrophobicContact CG-CE1 3.97Å
359	K	93.5	Very high	94.5	Very high	168 Å²	168	52.2 Å²	52.2	73%	0.73	26%	0.255	S	S	*	.			trans	-129.6	126.6	176.4	-65.8	177.5	-175.3	175.2	0	109.5	M205 S357	M205-K359 WeakPolarHBondContact CE-O 3.28Å; S357-K359 PolarHBondContact O-N 3.24Å
360	Y	97.5	Very high	94.8	Very high	51 Å²	51	52.5 Å²	52.5	20%	0.2	26%	0.256	C	S	.	.			trans	-160	164.2	178.6	61.8	-77.1	0	0	0	109.5	V209 E213 K216 L358 V362 V376 D377	V209-Y360 HydrophobicContact CG1-CD2 3.7Å; V209-Y360 HydrophobicContact CG1-CE2 3.68Å; V209-Y360 HydrophobicContact CG1-CG 4.16Å; V209-Y360 HydrophobicContact CG2-CD1 3.66Å; V209-Y360 HydrophobicContact CG2-CD2 4.06Å; V209-Y360 HydrophobicContact CG2-CE1 4.1Å; V209-Y360 HydrophobicContact CG2-CE2 4.48Å; V209-Y360 HydrophobicContact CG2-CG 3.63Å; E213-Y360 HydrophobicContact CG-CE2 4.05Å; E213-Y360 WeakPolarHBondContact OE1-CE2 3.38Å; E213-Y360 PolarHBondContact OE1-OH 2.92Å; K216-Y360 PolarHBondContact NZ-OH 3.18Å; L358-Y360 HydrophobicContact CD2-CD1 3.95Å; L358-Y360 HydrophobicContact CD2-CE1 3.62Å; L358-Y360 HydrophobicContact CG-CD1 3.83Å; L358-Y360 HydrophobicContact CG-CE1 3.97Å; Y360-V362 HydrophobicContact CD2-CG2 4.17Å; Y360-V362 HydrophobicContact CE2-CG2 3.83Å; Y360-V376 HydrophobicContact CD2-CG1 4.37Å; Y360-D377 CarbonylContact C-O 3.51Å; Y360-D377 VanDerWaalsContact CA-O 3.26Å; Y360-D377 WeakPolarHBondContact CA-O 3.21Å; Y360-D377 WeakPolarHBondContact CB-O 3.43Å
361	K	98.5	Very high	95.1	Very high	141 Å²	141	52.5 Å²	52.5	61%	0.613	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.2	170.1	-63.9	175.3	-176.7	171.1	0	109.3	L363 V376 D377	K361-L363 PolarHBondContact O-N 3.43Å; K361-V376 CarbonylContact O-C 3.55Å; K361-V376 VanDerWaalsContact O-CA 3.29Å; K361-V376 WeakPolarHBondContact O-CA 2.88Å; K361-D377 HydrophobicContact CB-CB 4.35Å; K361-D377 PolarHBondContact N-O 3.45Å; K361-D377 PolarHBondContact O-N 3.1Å
362	V	98.4	Very high	95.7	Very high	57 Å²	57	49.7 Å²	49.7	35%	0.345	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	116.6	169	179	0	0	0	0	107.8	E213 Y360 V365 I374 V376	E213-V362 HydrophobicContact CG-CG2 4.42Å; Y360-V362 HydrophobicContact CD2-CG2 4.17Å; Y360-V362 HydrophobicContact CE2-CG2 3.83Å; V362-V365 HydrophobicContact CG1-CG2 3.62Å; V362-I374 HydrophobicContact CG1-CG2 3.88Å; V362-I374 HydrophobicContact CG2-CG2 4.39Å; V362-V376 HydrophobicContact CG2-CG1 4.29Å
363	L	98.6	Very high	96.3	Very high	93 Å²	93	49 Å²	49	49%	0.487	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-40.2	179.1	-59.2	-174.2	0	0	0	111.5	A196 K361 L375 D377	A196-L363 HydrophobicContact CB-CD1 3.68Å; K361-L363 PolarHBondContact O-N 3.43Å; L363-L375 HydrophobicContact CB-CD2 4.19Å; L363-L375 HydrophobicContact CB-CG 4.21Å; L363-L375 HydrophobicContact CD1-CD2 4.25Å; L363-L375 HydrophobicContact CD1-CG 4.27Å; L363-L375 PolarHBondContact N-O 3.4Å; L363-D377 HydrophobicContact CD1-CB 4.04Å; L363-D377 HydrophobicContact CD2-CB 3.97Å; L363-D377 HydrophobicContact CG-CB 4Å
364	K	98.6	Very high	96.6	Very high	131 Å²	131	48.9 Å²	48.9	57%	0.57	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	141.3	-179.2	-168.6	175.8	-179	-177.8	0	110.9	T366 I374 L375	K364-T366 WeakPolarHBondContact CE-OG1 3.15Å; K364-I374 WeakPolarHBondContact O-CA 3.26Å; K364-L375 HydrophobicContact CB-CB 4.17Å; K364-L375 PolarHBondContact N-O 3Å; K364-L375 PolarHBondContact O-N 2.91Å
365	V	98.6	Very high	96.8	Very high	56 Å²	56	50.9 Å²	50.9	34%	0.339	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.1	167.6	-176.6	0	0	0	0	107.3	V362 T372 H373 I374	V362-V365 HydrophobicContact CG1-CG2 3.62Å; V365-T372 HydrophobicContact CG1-CG2 4.02Å; V365-H373 CarbonylContact C-O 3.54Å; V365-H373 WeakPolarHBondContact CA-O 3.43Å; V365-I374 HydrophobicContact CG1-CG1 4.43Å; V365-I374 HydrophobicContact CG2-CG2 4.34Å
366	T	98.5	Very high	97	Very high	37 Å²	37	50.6 Å²	50.6	23%	0.227	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.1	174.7	-55.9	0	0	0	0	109	K364 H368 H373	K364-T366 WeakPolarHBondContact CE-OG1 3.15Å; T366-H368 WeakPolarHBondContact CG2-NE2 3.45Å; T366-H368 PolarHBondContact O-N 3.19Å; T366-H373 PolarHBondContact N-O 3.42Å; T366-H373 PolarHBondContact O-N 3.15Å
367	E	97.8	Very high	97.5	Very high	72 Å²	72	52.4 Å²	52.4	34%	0.336	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.3	176.1	-59.4	-69.9	-176.4	0	0	108	Q133 G134 R189 T372	Q133-E367 PolarHBondContact OE1-O 3.03Å; G134-E367 WeakPolarHBondContact CA-OE2 3.21Å; R189-E367 IonicContact NH2-OE1 2.94Å; R189-E367 PolarHBondContact NH2-OE1 2.84Å; R189-E367 IonicContact NH2-OE2 3.24Å; R189-E367 PolarHBondContact NH2-OE2 2.83Å; E367-T372 VanDerWaalsContact OE2-CB 3.3Å; E367-T372 WeakPolarHBondContact OE2-CB 2.95Å; E367-T372 VanDerWaalsContact OE2-CG2 3.31Å; E367-T372 WeakPolarHBondContact OE2-CG2 3.22Å; E367-T372 PolarHBondContact OE2-OG1 2.87Å
368	H	97.7	Very high	97.8	Very high	52 Å²	52	51 Å²	51	24%	0.241	25%	0.246	C	C	.	.			trans	-92.9	169.8	173.1	-62.2	-81.1	0	0	0	110.5	Q133 G134 G135 T366 L370 F371	Q133-H368 PolarHBondContact OE1-O 2.98Å; G134-H368 WeakPolarHBondContact CA-O 3.42Å; G134-H368 PolarHBondContact N-O 3.3Å; G135-H368 PolarHBondContact N-O 2.62Å; T366-H368 WeakPolarHBondContact CG2-NE2 3.45Å; T366-H368 PolarHBondContact O-N 3.19Å; H368-L370 PolarHBondContact O-N 3.38Å; H368-F371 WeakPolarHBondContact CA-O 3.17Å; H368-F371 HydrophobicContact CB-CE1 4.47Å; H368-F371 HydrophobicContact CB-CE2 4.4Å; H368-F371 HydrophobicContact CB-CZ 4.34Å; H368-F371 WeakPolarHBondContact CB-O 3.41Å; H368-F371 AromaticContact CD2-CE2 3.46Å; H368-F371 VanDerWaalsContact CD2-CE2 3.46Å; H368-F371 WeakPolarHBondContact CD2-CE2 2.83Å; H368-F371 AromaticContact CD2-CZ 3.9Å; H368-F371 PolarHBondContact N-O 3.34Å
369	E	96.1	Very high	97.9	Very high	58 Å²	58	51.6 Å²	51.6	27%	0.271	26%	0.257	S	S	.	.	S	Bend	trans	-57.8	-35.2	-179.4	-68	79.2	-176.8	0	0	113.1	I125 H131	I125-E369 HydrophobicContact CG1-CB 4.43Å; I125-E369 HydrophobicContact CG2-CB 4.27Å; I125-E369 HydrophobicContact CG2-CG 4.23Å; H131-E369 WeakPolarHBondContact CE1-CG 3.31Å
370	L	98.1	Very high	97.8	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	26%	0.259	C	S	.	.	S	Bend	trans	-113.6	-11.7	-170.3	-59.8	-178.5	0	0	0	114.5	L121 V124 I125 N128 H131 G135 I178 H368	L121-L370 HydrophobicContact CD1-CD1 4.41Å; V124-L370 HydrophobicContact CB-CD1 4.39Å; V124-L370 HydrophobicContact CG1-CD1 3.74Å; I125-L370 HydrophobicContact CB-CD1 4.33Å; I125-L370 HydrophobicContact CG1-CD1 3.59Å; I125-L370 HydrophobicContact CG1-CG 3.88Å; N128-L370 HydrophobicContact CB-CD2 4.28Å; H131-L370 HydrophobicContact CB-CD2 4.35Å; G135-L370 VanDerWaalsContact CA-O 3.28Å; G135-L370 WeakPolarHBondContact CA-O 3.39Å; I178-L370 HydrophobicContact CD1-CB 3.85Å; I178-L370 HydrophobicContact CD1-CD1 3.71Å; I178-L370 HydrophobicContact CD1-CD2 4.08Å; I178-L370 HydrophobicContact CD1-CG 4.09Å; H368-L370 PolarHBondContact O-N 3.38Å
371	F	98.6	Very high	97.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	26%	0.256	C	S	.	.			trans	-161.4	156.3	179.6	55.4	-86.7	0	0	0	111.4	L121 W167 L174 I190 V192 H368 H373	L121-F371 HydrophobicContact CD1-CE1 4.27Å; L121-F371 HydrophobicContact CD2-CE1 4.48Å; W167-F371 HydrophobicContact CZ3-CE2 4.41Å; W167-F371 HydrophobicContact CZ3-CZ 4.07Å; L174-F371 HydrophobicContact CD1-CD1 3.65Å; L174-F371 HydrophobicContact CD1-CE1 3.69Å; I190-F371 HydrophobicContact CB-CB 3.99Å; I190-F371 HydrophobicContact CG2-CB 3.81Å; I190-F371 CarbonylContact O-C 3.59Å; I190-F371 WeakPolarHBondContact O-CA 3.45Å; V192-F371 HydrophobicContact CB-CD2 3.9Å; V192-F371 HydrophobicContact CB-CE2 4.36Å; V192-F371 HydrophobicContact CG2-CB 3.99Å; V192-F371 HydrophobicContact CG2-CD2 3.5Å; V192-F371 VanDerWaalsContact CG2-CD2 3.5Å; V192-F371 HydrophobicContact CG2-CE2 4.1Å; V192-F371 HydrophobicContact CG2-CG 3.78Å; H368-F371 WeakPolarHBondContact CA-O 3.17Å; H368-F371 HydrophobicContact CB-CE1 4.47Å; H368-F371 HydrophobicContact CB-CE2 4.4Å; H368-F371 HydrophobicContact CB-CZ 4.34Å; H368-F371 WeakPolarHBondContact CB-O 3.41Å; H368-F371 AromaticContact CD2-CE2 3.46Å; H368-F371 VanDerWaalsContact CD2-CE2 3.46Å; H368-F371 WeakPolarHBondContact CD2-CE2 2.83Å; H368-F371 AromaticContact CD2-CZ 3.9Å; H368-F371 PolarHBondContact N-O 3.34Å; F371-H373 HydrophobicContact CD2-CB 4.1Å; F371-H373 HydrophobicContact CE2-CB 3.93Å
372	T	98.8	Very high	97.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.7	163.3	-56.5	0	0	0	0	108.6	G134 R189 I190 F191 V192 V365 E367 I374	G134-T372 PolarHBondContact O-N 2.02Å; G134-T372 PolarHBondContact O-OG1 3.39Å; R189-T372 PolarHBondContact NE-OG1 2.86Å; R189-T372 PolarHBondContact NH2-OG1 3.18Å; I190-T372 PolarHBondContact O-N 2.89Å; F191-T372 CarbonylContact C-O 3.51Å; F191-T372 WeakPolarHBondContact CA-O 3.28Å; F191-T372 HydrophobicContact CD1-CG2 4.18Å; F191-T372 HydrophobicContact CE1-CG2 4.41Å; V192-T372 PolarHBondContact N-O 2.95Å; V365-T372 HydrophobicContact CG1-CG2 4.02Å; E367-T372 VanDerWaalsContact OE2-CB 3.3Å; E367-T372 WeakPolarHBondContact OE2-CB 2.95Å; E367-T372 VanDerWaalsContact OE2-CG2 3.31Å; E367-T372 WeakPolarHBondContact OE2-CG2 3.22Å; E367-T372 PolarHBondContact OE2-OG1 2.87Å; T372-I374 HydrophobicContact CG2-CD1 4.18Å; T372-I374 HydrophobicContact CG2-CG1 3.89Å
373	H	98.8	Very high	96.6	Very high	19 Å²	19	48.8 Å²	48.8	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.7	173.6	-177.4	-146.7	0	0	0	110.5	W167 V192 E194 V365 T366 F371	W167-H373 AromaticContact CZ2-CE1 3.96Å; V192-H373 WeakPolarHBondContact O-CA 2.85Å; E194-H373 WeakPolarHBondContact CB-NE2 3.37Å; E194-H373 IonicContact OE2-CE1 3.87Å; E194-H373 PolarHBondContact OE2-CE1 2.89Å; E194-H373 IonicContact OE2-NE2 3.53Å; E194-H373 PolarHBondContact OE2-NE2 3.28Å; V365-H373 CarbonylContact C-O 3.54Å; V365-H373 WeakPolarHBondContact CA-O 3.43Å; T366-H373 PolarHBondContact N-O 3.42Å; T366-H373 PolarHBondContact O-N 3.15Å; F371-H373 HydrophobicContact CD2-CB 4.1Å; F371-H373 HydrophobicContact CE2-CB 3.93Å
374	I	98.8	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	110.5	179.1	-49.7	-175.8	0	0	0	108.6	F191 V192 I193 E194 E213 V362 K364 V365 T372 V376	F191-I374 HydrophobicContact CD1-CD1 4.42Å; V192-I374 PolarHBondContact O-N 3.41Å; I193-I374 HydrophobicContact CD1-CB 3.99Å; I193-I374 HydrophobicContact CD1-CD1 3.96Å; I193-I374 HydrophobicContact CD1-CG1 4.15Å; E194-I374 PolarHBondContact N-O 3.38Å; E213-I374 HydrophobicContact CB-CD1 3.59Å; E213-I374 HydrophobicContact CG-CD1 4.15Å; E213-I374 HydrophobicContact CG-CG2 4.46Å; V362-I374 HydrophobicContact CG1-CG2 3.88Å; V362-I374 HydrophobicContact CG2-CG2 4.39Å; K364-I374 WeakPolarHBondContact O-CA 3.26Å; V365-I374 HydrophobicContact CG1-CG1 4.43Å; V365-I374 HydrophobicContact CG2-CG2 4.34Å; T372-I374 HydrophobicContact CG2-CD1 4.18Å; T372-I374 HydrophobicContact CG2-CG1 3.89Å; I374-V376 HydrophobicContact CG2-CG1 3.64Å
375	L	98.8	Very high	95.5	Very high	42 Å²	42	39 Å²	39	22%	0.22	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.8	173.2	-178.5	67.6	0	0	0	109	E194 A196 L363 K364	E194-L375 HydrophobicContact CB-CD1 3.94Å; E194-L375 HydrophobicContact CG-CD1 3.63Å; E194-L375 WeakPolarHBondContact O-CA 3.32Å; A196-L375 HydrophobicContact CB-CD1 3.79Å; A196-L375 HydrophobicContact CB-CG 4.17Å; L363-L375 HydrophobicContact CB-CD2 4.19Å; L363-L375 HydrophobicContact CB-CG 4.21Å; L363-L375 HydrophobicContact CD1-CD2 4.25Å; L363-L375 HydrophobicContact CD1-CG 4.27Å; L363-L375 PolarHBondContact N-O 3.4Å; K364-L375 HydrophobicContact CB-CB 4.17Å; K364-L375 PolarHBondContact N-O 3Å; K364-L375 PolarHBondContact O-N 2.91Å
376	V	98.8	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.5	-175.3	-57.3	0	0	0	0	112.3	I193 E194 A196 I206 V209 Y360 K361 V362 I374 L378	I193-V376 HydrophobicContact CG2-CG2 4.06Å; E194-V376 WeakPolarHBondContact O-CG2 3.39Å; E194-V376 PolarHBondContact O-N 3.03Å; A196-V376 WeakPolarHBondContact CB-O 3.41Å; A196-V376 PolarHBondContact N-O 3.29Å; I206-V376 HydrophobicContact CD1-CG2 3.68Å; V209-V376 HydrophobicContact CG1-CB 4.34Å; V209-V376 HydrophobicContact CG1-CG1 3.84Å; V209-V376 HydrophobicContact CG1-CG2 4.13Å; Y360-V376 HydrophobicContact CD2-CG1 4.37Å; K361-V376 CarbonylContact O-C 3.55Å; K361-V376 VanDerWaalsContact O-CA 3.29Å; K361-V376 WeakPolarHBondContact O-CA 2.88Å; V362-V376 HydrophobicContact CG2-CG1 4.29Å; I374-V376 HydrophobicContact CG2-CG1 3.64Å; V376-L378 HydrophobicContact CG2-CD2 4.09Å
377	D	98.5	Very high	93.1	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.273	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119	170.7	171.9	15.5	0	0	0	108.5	Y360 K361 L363 G379	Y360-D377 CarbonylContact C-O 3.51Å; Y360-D377 VanDerWaalsContact CA-O 3.26Å; Y360-D377 WeakPolarHBondContact CA-O 3.21Å; Y360-D377 WeakPolarHBondContact CB-O 3.43Å; K361-D377 HydrophobicContact CB-CB 4.35Å; K361-D377 PolarHBondContact N-O 3.45Å; K361-D377 PolarHBondContact O-N 3.1Å; L363-D377 HydrophobicContact CD1-CB 4.04Å; L363-D377 HydrophobicContact CD2-CB 3.97Å; L363-D377 HydrophobicContact CG-CB 4Å; D377-G379 VanDerWaalsContact C-N 3.3Å; D377-G379 WeakPolarHBondContact OD1-CA 3.27Å; D377-G379 PolarHBondContact OD1-N 2.9Å
378	L	97.8	Very high	91	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.073	22%	0.224	C	C	.	.			trans	-86.5	-1.7	179	-58.7	-175.2	0	0	0	112.8	E195 N202 M205 I206 V209 W291 V376	E195-L378 HydrophobicContact CG-CD1 3.81Å; E195-L378 HydrophobicContact CG-CG 4.06Å; N202-L378 HydrophobicContact CB-CD1 3.96Å; M205-L378 HydrophobicContact CB-CD1 4.15Å; M205-L378 HydrophobicContact CE-CB 4.12Å; M205-L378 HydrophobicContact CE-CD2 4.09Å; M205-L378 HydrophobicContact CG-CD1 4.1Å; M205-L378 HydrophobicContact CG-CD2 4.03Å; M205-L378 HydrophobicContact SD-CB 4.04Å; M205-L378 HydrophobicContact SD-CD1 3.94Å; M205-L378 HydrophobicContact SD-CD2 4.15Å; M205-L378 HydrophobicContact SD-CG 4.27Å; I206-L378 HydrophobicContact CD1-CD1 3.91Å; I206-L378 HydrophobicContact CD1-CD2 4.12Å; I206-L378 HydrophobicContact CD1-CG 4.24Å; I206-L378 HydrophobicContact CG1-CD1 4.03Å; V209-L378 HydrophobicContact CG2-CD2 3.83Å; W291-L378 HydrophobicContact CH2-CB 4.02Å; W291-L378 HydrophobicContact CZ2-CB 4.47Å; V376-L378 HydrophobicContact CG2-CD2 4.09Å
379	G	94.8	Very high	88.8	Confident	34 Å²	34	46.7 Å²	46.7	35%	0.351	24%	0.243	S	C	.	.			trans	78.4	-166.1	-164.7	0	0	0	0	0	111.5	D377	D377-G379 VanDerWaalsContact C-N 3.3Å; D377-G379 WeakPolarHBondContact OD1-CA 3.27Å; D377-G379 PolarHBondContact OD1-N 2.9Å
380	N	91.6	Very high	88.5	Confident	143 Å²	143	46.1 Å²	46.1	77%	0.765	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-85.3	147.1	-178.3	-56.7	-39.8	0	0	0	110.9	D199	D199-N380 WeakPolarHBondContact OD2-CA 3.45Å
381	Q	90.1	Very high	88	Confident	28 Å²	28	48.2 Å²	48.2	13%	0.131	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-56.1	144.9	167.7	71.1	-178.5	27.5	0	0	111.2	D199 L200 W291 Y385 S386	D199-Q381 HydrophobicContact CB-CB 4.35Å; D199-Q381 HydrophobicContact CB-CG 4.4Å; D199-Q381 PolarHBondContact OD2-N 2.91Å; L200-Q381 VanDerWaalsContact CG-OE1 3.29Å; L200-Q381 VanDerWaalsContact N-OE1 3.13Å; W291-Q381 HydrophobicContact CB-CB 4.39Å; W291-Q381 HydrophobicContact CD2-CB 3.43Å; W291-Q381 VanDerWaalsContact CD2-CB 3.43Å; W291-Q381 HydrophobicContact CE3-CB 3.29Å; W291-Q381 HydrophobicContact CG-CB 3.91Å; W291-Q381 HydrophobicContact CH2-CB 4.27Å; W291-Q381 HydrophobicContact CZ2-CB 4.38Å; W291-Q381 HydrophobicContact CZ3-CB 3.75Å; Q381-Y385 PolarHBondContact NE2-O 2.7Å; Q381-S386 PolarHBondContact NE2-OG 2.88Å; Q381-S386 VanDerWaalsContact NE2-OG 3.07Å
382	P	90.8	Very high	87.4	Confident	27 Å²	27	50.8 Å²	50.8	18%	0.175	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-55.2	147.2	176.7	-26.1	32.8	0	0	0	112.3	L289 W291 F384 Y385	L289-P382 HydrophobicContact CD2-CG 4.49Å; W291-P382 VanDerWaalsContact CD1-CD 3.42Å; P382-F384 HydrophobicContact CB-CD1 3.67Å; P382-F384 HydrophobicContact CB-CD2 4.3Å; P382-F384 HydrophobicContact CB-CE1 3.2Å; P382-F384 HydrophobicContact CB-CE2 3.96Å; P382-F384 HydrophobicContact CB-CG 4.19Å; P382-F384 HydrophobicContact CB-CZ 3.38Å; P382-F384 HydrophobicContact CG-CE1 3.96Å; P382-F384 HydrophobicContact CG-CE2 4.33Å; P382-F384 HydrophobicContact CG-CZ 3.7Å; P382-F384 PolarHBondContact O-N 3.16Å; P382-F384 VanDerWaalsContact O-N 3.07Å; P382-Y385 HydrophobicContact CB-CD2 4.28Å; P382-Y385 HydrophobicContact CG-CD2 4.31Å; P382-Y385 WeakPolarHBondContact O-CB 3.09Å; P382-Y385 PolarHBondContact O-N 3.39Å
383	K	87.5	Confident	86.7	Confident	160 Å²	160	53.8 Å²	53.8	70%	0.696	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-56.6	-30.8	-175.5	-68.3	-175.3	178.8	-178.3	0	113.8	Y385 S386	K383-Y385 PolarHBondContact O-N 3.11Å; K383-Y385 VanDerWaalsContact O-N 3.11Å; K383-S386 PolarHBondContact O-N 2.97Å
384	F	87.9	Confident	85.9	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.018	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-67.3	-2.8	175.1	58.6	-102.5	0	0	0	113.8	C48 E51 L52 E55 I338 P382	C48-F384 WeakPolarHBondContact O-CB 3.49Å; C48-F384 VanDerWaalsContact SG-C 3.52Å; C48-F384 PolarHBondContact SG-O 3.45Å; E51-F384 HydrophobicContact CB-CB 3.89Å; L52-F384 HydrophobicContact CB-CB 4.14Å; L52-F384 HydrophobicContact CB-CD1 4.33Å; L52-F384 HydrophobicContact CB-CD2 4.31Å; L52-F384 HydrophobicContact CB-CG 4.03Å; L52-F384 HydrophobicContact CD1-CD1 4.37Å; L52-F384 HydrophobicContact CD1-CD2 4.09Å; L52-F384 HydrophobicContact CD1-CE1 4.12Å; L52-F384 HydrophobicContact CD1-CE2 3.78Å; L52-F384 HydrophobicContact CD1-CG 4.36Å; L52-F384 HydrophobicContact CD1-CZ 3.81Å; E55-F384 HydrophobicContact CB-CD1 4.27Å; E55-F384 HydrophobicContact CB-CE1 3.82Å; E55-F384 HydrophobicContact CG-CE1 3.85Å; I338-F384 HydrophobicContact CD1-CD2 4.16Å; I338-F384 WeakPolarHBondContact CD1-O 3.49Å; I338-F384 HydrophobicContact CG2-CD2 4.01Å; I338-F384 HydrophobicContact CG2-CE2 4.05Å; P382-F384 HydrophobicContact CB-CD1 3.67Å; P382-F384 HydrophobicContact CB-CD2 4.3Å; P382-F384 HydrophobicContact CB-CE1 3.2Å; P382-F384 HydrophobicContact CB-CE2 3.96Å; P382-F384 HydrophobicContact CB-CG 4.19Å; P382-F384 HydrophobicContact CB-CZ 3.38Å; P382-F384 HydrophobicContact CG-CE1 3.96Å; P382-F384 HydrophobicContact CG-CE2 4.33Å; P382-F384 HydrophobicContact CG-CZ 3.7Å; P382-F384 PolarHBondContact O-N 3.16Å; P382-F384 VanDerWaalsContact O-N 3.07Å
385	Y	87.1	Confident	85.1	Confident	13 Å²	13	59.7 Å²	59.7	5%	0.051	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-93.6	-10.2	167.5	-81.2	-82.1	0	0	0	113.7	L200 L289 W291 P335 I338 H339 L342 Q381 P382 K383	L200-Y385 HydrophobicContact CD1-CD1 3.78Å; L200-Y385 HydrophobicContact CD1-CE1 4.46Å; L200-Y385 HydrophobicContact CD1-CG 4.46Å; L289-Y385 VanDerWaalsContact O-CE2 3.29Å; L289-Y385 WeakPolarHBondContact O-CE2 3.43Å; L289-Y385 PolarHBondContact O-OH 3.44Å; W291-Y385 HydrophobicContact CB-CD1 4.03Å; W291-Y385 HydrophobicContact CB-CD2 3.92Å; W291-Y385 HydrophobicContact CB-CE1 3.9Å; W291-Y385 HydrophobicContact CB-CE2 3.74Å; W291-Y385 HydrophobicContact CB-CG 4.05Å; W291-Y385 AromaticContact CD1-CE2 3.8Å; W291-Y385 HydrophobicContact CG-CD2 4.21Å; W291-Y385 HydrophobicContact CG-CE2 4.09Å; W291-Y385 PolarHBondContact N-OH 3.24Å; W291-Y385 WeakPolarHBondContact O-CE1 3.33Å; P335-Y385 HydrophobicContact CG-CD1 3.46Å; P335-Y385 VanDerWaalsContact CG-CD1 3.46Å; P335-Y385 HydrophobicContact CG-CE1 3.26Å; I338-Y385 HydrophobicContact CG2-CE1 4.08Å; I338-Y385 HydrophobicContact CG2-CE2 4.24Å; H339-Y385 PolarHBondContact CD2-OH 3.48Å; H339-Y385 AromaticContact NE2-CE1 3.61Å; H339-Y385 AromaticContact NE2-CZ 3.86Å; H339-Y385 PolarHBondContact NE2-OH 3.19Å; H339-Y385 VanDerWaalsContact NE2-OH 3.14Å; L342-Y385 WeakPolarHBondContact CD1-OH 3.42Å; Q381-Y385 PolarHBondContact NE2-O 2.7Å; P382-Y385 HydrophobicContact CB-CD2 4.28Å; P382-Y385 HydrophobicContact CG-CD2 4.31Å; P382-Y385 WeakPolarHBondContact O-CB 3.09Å; P382-Y385 PolarHBondContact O-N 3.39Å; K383-Y385 PolarHBondContact O-N 3.11Å; K383-Y385 VanDerWaalsContact O-N 3.11Å
386	S	78.5	Confident	84.1	Confident	76 Å²	76	60.9 Å²	60.9	53%	0.531	32%	0.32	S	S	.	.	S	Bend	trans	-108.3	14	-171.7	-55.8	0	0	0	0	114	Q381 K383	Q381-S386 PolarHBondContact NE2-OG 2.88Å; Q381-S386 VanDerWaalsContact NE2-OG 3.07Å; K383-S386 PolarHBondContact O-N 2.97Å
387	C	68.7	Low	83	Confident	15 Å²	15	65.6 Å²	65.6	10%	0.101	34%	0.344	C	S	.	.	S	Bend	trans	-77.9	143.7	174.7	-33.5	0	0	0	0	111.1	L46 C48 Y389	L46-C387 HydrophobicContact CB-CB 4.23Å; L46-C387 WeakPolarHBondContact O-CB 3.19Å; L46-C387 PolarHBondContact O-SG 2.84Å; L46-C387 VanDerWaalsContact O-SG 3.39Å; C48-C387 WeakPolarHBondContact CA-SG 3.37Å; C48-C387 HydrophobicContact CB-CB 4.01Å; C48-C387 WeakPolarHBondContact CB-SG 3.48Å; C48-C387 PolarHBondContact N-SG 3.05Å; C48-C387 WeakPolarHBondContact SG-CB 3.24Å; C48-C387 CovalentContact SG-SG 2.01Å; C48-C387 PolarHBondContact SG-SG 3.28Å; C387-Y389 PolarHBondContact O-N 3.02Å; C387-Y389 VanDerWaalsContact O-N 3.12Å
388	N	54.1	Low	81.7	Confident	127 Å²	127	66.8 Å²	66.8	68%	0.679	35%	0.35	S	S	*	.			trans	-63.4	110.4	165.4	-66.7	-31.2	0	0	0	108.7	K45	K45-N388 WeakPolarHBondContact CE-O 3.44Å
389	Y	51.5	Low	80.2	Confident	161 Å²	161	71.6 Å²	71.6	63%	0.631	38%	0.375	S	S	*	.			trans	-66.2	0	170.1	-76.9	-81.6	0	0	0	110.2	K45 P335 I338 C387	K45-Y389 PolarHBondContact NZ-OXT 2.73Å; P335-Y389 HydrophobicContact CB-CE2 4.01Å; P335-Y389 WeakPolarHBondContact CB-OH 3.48Å; I338-Y389 WeakPolarHBondContact CD1-OH 3.09Å; C387-Y389 PolarHBondContact O-N 3.02Å; C387-Y389 VanDerWaalsContact O-N 3.12Å

Retrieved 389 of 389 residues in 349.2 ms (Link to these results)

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