A0A060WEA6_ONCMY Loading...

CAP-GLY domain containing linker protein 3

AlphaFold DB , UniProt , Accession A0A060WEA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110503608, Length 561 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	40.8	Very low	36.3	Very low	233 Å²	233	171.6 Å²	171.6	100%	1.148	89%	0.885	S	S	*	*				0	117.8	0	-59	158.9	79.6	0	0	106.2
2	T	40.3	Very low	35.9	Very low	139 Å²	139	172.8 Å²	172.8	85%	0.853	88%	0.883	S	S	*	*			cis	-154.3	136.2	-2.5	-0.8	0	0	0	0	105.2
3	K	37.2	Very low	35.7	Very low	204 Å²	204	166.9 Å²	166.9	89%	0.887	88%	0.877	S	S	*	*			trans	-136.4	134.5	168.7	-91.1	-167.5	171.1	-172.8	0	108.5
4	E	40.3	Very low	35.4	Very low	190 Å²	190	168 Å²	168	89%	0.888	88%	0.875	S	S	*	*			trans	-66.8	143.1	-176.6	-64.9	135.5	136.3	0	0	110.9
5	Q	37.9	Very low	35.2	Very low	195 Å²	195	164.9 Å²	164.9	91%	0.911	87%	0.869	S	S	*	*			trans	-110	107.1	163.6	-76.3	-177.9	-44.4	0	0	107.5
6	T	35.3	Very low	35.2	Very low	132 Å²	132	160.9 Å²	160.9	81%	0.81	87%	0.867	S	S	*	*			trans	-65.4	125.6	164.1	37	0	0	0	0	109	E8	T6-E8 PolarHBondContact O-N 3.49Å
7	A	34.7	Very low	35.1	Very low	93 Å²	93	156.7 Å²	156.7	77%	0.769	85%	0.853	S	S	*	*			trans	-81.5	114.6	172.7	0	0	0	0	0	109.6
8	E	32.4	Very low	35.2	Very low	190 Å²	190	157 Å²	157	89%	0.888	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-78.3	127	161.6	-67.5	177.3	161.2	0	0	107.6	T6	T6-E8 PolarHBondContact O-N 3.49Å
9	V	34.4	Very low	35	Very low	134 Å²	134	160.2 Å²	160.2	81%	0.812	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-102.1	118	173.7	177.3	0	0	0	0	107	E11	V9-E11 PolarHBondContact O-N 3.43Å
10	E	32.2	Very low	35	Very low	185 Å²	185	160.2 Å²	160.2	86%	0.864	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-65	127.3	176.9	-64.6	179.2	139.1	0	0	110.1	E12	E10-E12 PolarHBondContact O-N 3.18Å
11	E	33.3	Very low	35.2	Very low	193 Å²	193	156.2 Å²	156.2	90%	0.902	83%	0.829	S	S	*	*			trans	-81.5	96.7	-179.8	-166.9	170.6	-149.1	0	0	109.5	V9 A13	V9-E11 PolarHBondContact O-N 3.43Å; E11-A13 PolarHBondContact O-N 3Å
12	E	31.4	Very low	35.3	Very low	185 Å²	185	149.8 Å²	149.8	86%	0.864	80%	0.804	S	S	*	*			trans	-66.6	114.4	-177.2	-153.1	177.2	-156.1	0	0	110.7	E10 Q14	E10-E12 PolarHBondContact O-N 3.18Å; E12-Q14 PolarHBondContact O-N 3.37Å
13	A	34.4	Very low	35.7	Very low	97 Å²	97	149.8 Å²	149.8	80%	0.802	80%	0.804	S	S	*	*			trans	-65.5	108.7	-174.4	0	0	0	0	0	111.6	E11	E11-A13 PolarHBondContact O-N 3Å
14	Q	31.5	Very low	36.6	Very low	182 Å²	182	145.8 Å²	145.8	85%	0.85	79%	0.788	S	S	*	*			trans	-62.2	134	176.1	-66	-175.3	-2.9	0	0	110.6	E12 A16	E12-Q14 PolarHBondContact O-N 3.37Å; Q14-A16 PolarHBondContact O-N 3.26Å
15	P	32.6	Very low	37.6	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	78%	0.781	S	S	*	*			trans	-65	134.3	179.6	26.9	-33.8	0	0	0	110	S17	P15-S17 PolarHBondContact O-N 3.22Å
16	A	34.8	Very low	38.8	Very low	102 Å²	102	139.4 Å²	139.4	84%	0.843	77%	0.766	S	S	*	*			trans	-53.9	115.8	179	0	0	0	0	0	110.2	Q14 E18	Q14-A16 PolarHBondContact O-N 3.26Å; A16-E18 PolarHBondContact O-N 2.97Å; A16-E18 VanDerWaalsContact O-N 3.11Å
17	S	33.4	Very low	41.1	Very low	89 Å²	89	136.9 Å²	136.9	62%	0.622	74%	0.742	S	S	*	*			trans	-60.4	118.2	177.5	60.5	0	0	0	0	109.1	P15 Y19	P15-S17 PolarHBondContact O-N 3.22Å; S17-Y19 PolarHBondContact O-N 3.14Å
18	E	36.1	Very low	43.2	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	74%	0.744	S	S	*	*			trans	-55.7	106.4	167.8	-70.2	-172	151.6	0	0	108.4	A16 Q20	A16-E18 PolarHBondContact O-N 2.97Å; A16-E18 VanDerWaalsContact O-N 3.11Å; E18-Q20 HydrophobicContact CB-CG 4.49Å; E18-Q20 PolarHBondContact O-N 3Å
19	Y	32.1	Very low	45.8	Very low	218 Å²	218	142.2 Å²	142.2	86%	0.855	74%	0.739	S	S	*	*			trans	-69.1	79.1	167.1	-100.5	-94.2	0	0	0	107.9	S17 S21	S17-Y19 PolarHBondContact O-N 3.14Å; Y19-S21 PolarHBondContact O-N 3.15Å
20	Q	35.2	Very low	48.7	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.743	72%	0.724	S	S	*	*			trans	-61.9	102.5	165.3	-71.7	-171	0.7	0	0	107.2	E18	E18-Q20 HydrophobicContact CB-CG 4.49Å; E18-Q20 PolarHBondContact O-N 3Å
21	S	39.6	Very low	51.7	Low	78 Å²	78	135.2 Å²	135.2	55%	0.545	71%	0.705	S	S	.	*			trans	-52.6	126.8	175.2	-156.1	0	0	0	0	108.1	Y19 V23	Y19-S21 PolarHBondContact O-N 3.15Å; S21-V23 PolarHBondContact O-N 3.15Å
22	P	43.1	Very low	54.6	Low	97 Å²	97	129.2 Å²	129.2	63%	0.63	68%	0.682	S	S	*	*			trans	-64.1	109.4	-169.2	24.6	-33.7	0	0	0	109.1	H24	P22-H24 VanDerWaalsContact C-N 3.3Å; P22-H24 PolarHBondContact O-N 2.77Å; P22-H24 PolarHBondContact O-ND1 2.94Å; P22-H24 VanDerWaalsContact O-ND1 3.15Å
23	V	47.5	Very low	57.7	Low	140 Å²	140	121 Å²	121	85%	0.848	64%	0.643	S	S	*	*			trans	-57.4	96.7	175.7	-179.3	0	0	0	0	107.3	S21 E25	S21-V23 PolarHBondContact O-N 3.15Å; V23-E25 PolarHBondContact O-N 3.24Å; V23-E25 VanDerWaalsContact O-N 3.15Å
24	H	57.4	Low	60.5	Low	120 Å²	120	120.8 Å²	120.8	56%	0.556	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-63.6	118.6	-179.8	-94.3	43.9	0	0	0	107.9	P22	P22-H24 VanDerWaalsContact C-N 3.3Å; P22-H24 PolarHBondContact O-N 2.77Å; P22-H24 PolarHBondContact O-ND1 2.94Å; P22-H24 VanDerWaalsContact O-ND1 3.15Å
25	E	59.7	Low	63.4	Low	157 Å²	157	115.3 Å²	115.3	73%	0.734	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-52.3	128.7	170.6	-75.9	-160.8	158.7	0	0	108.6	V23 R27	V23-E25 PolarHBondContact O-N 3.24Å; V23-E25 VanDerWaalsContact O-N 3.15Å; E25-R27 PolarHBondContact O-N 3.22Å; E25-R27 VanDerWaalsContact O-N 3.15Å
26	P	64.2	Low	66.3	Low	94 Å²	94	110.9 Å²	110.9	61%	0.61	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-55.2	124.6	179.6	-26.7	34.4	0	0	0	110.5	K28	P26-K28 PolarHBondContact O-N 3.15Å; P26-K28 VanDerWaalsContact O-N 3.14Å
27	R	82.8	Confident	69	Low	78 Å²	78	114.3 Å²	114.3	29%	0.294	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-55	123.4	-179.4	-85.7	-166.7	-75.7	93.1	1.4	110.6	E25 R29 H33 H98 D101	E25-R27 PolarHBondContact O-N 3.22Å; E25-R27 VanDerWaalsContact O-N 3.15Å; R27-R29 PolarHBondContact NH1-O 2.92Å; R27-R29 PolarHBondContact O-N 2.78Å; R27-H33 PolarHBondContact NH2-CE1 2.9Å; R27-H98 HydrophobicContact CB-CB 4.43Å; R27-H98 WeakPolarHBondContact O-CB 2.97Å; R27-H98 PolarHBondContact O-CD2 3.33Å; R27-D101 IonicContact CZ-OD1 2.71Å; R27-D101 IonicContact CZ-OD2 3.83Å; R27-D101 IonicContact NH1-OD1 3.73Å; R27-D101 PolarHBondContact NH1-OD1 3.02Å; R27-D101 IonicContact NH1-OD2 2.94Å; R27-D101 PolarHBondContact NH1-OD2 2.97Å; R27-D101 IonicContact NH2-OD1 3.38Å; R27-D101 IonicContact NH2-OD2 3.19Å; R27-D101 PolarHBondContact NH2-OD2 3.45Å
28	K	78.8	Confident	71.8	Confident	187 Å²	187	111.3 Å²	111.3	81%	0.813	57%	0.568	S	S	*	*	S	Bend	trans	-66.8	-1.8	-177.2	-62	179.5	-177.9	172.5	0	115.2	P26	P26-K28 PolarHBondContact O-N 3.15Å; P26-K28 VanDerWaalsContact O-N 3.14Å
29	R	88.2	Confident	74.5	Confident	209 Å²	209	104.8 Å²	104.8	79%	0.789	54%	0.54	S	S	*	.	S	Bend	trans	-137.6	137	179.2	-68.1	-175.5	178.7	175.3	-0	110.4	R27	R27-R29 PolarHBondContact NH1-O 2.92Å; R27-R29 PolarHBondContact O-N 2.78Å
30	P	94.2	Very high	77.4	Confident	76 Å²	76	97.7 Å²	97.7	49%	0.494	52%	0.516	S	S	.	.			trans	-67.8	150.1	172	29.1	-33.4	0	0	0	111	H98 N100 D101	P30-H98 WeakPolarHBondContact CA-ND1 3.47Å; P30-H98 WeakPolarHBondContact CB-ND1 3.48Å; P30-N100 HydrophobicContact CB-CB 4.13Å; P30-N100 WeakPolarHBondContact CB-O 3.43Å; P30-D101 WeakPolarHBondContact CA-OD1 3.4Å
31	M	94.8	Very high	80.1	Confident	96 Å²	96	91.2 Å²	91.2	47%	0.473	49%	0.488	S	S	.	.			trans	-137.3	169.4	170.5	77.6	-167.1	-50.6	0	0	111.5	D101 R102	M31-D101 PolarHBondContact N-OD1 2.92Å; M31-D101 VanDerWaalsContact O-CA 3.28Å; M31-D101 WeakPolarHBondContact O-CA 3.22Å; M31-R102 PolarHBondContact O-N 3.5Å
32	V	95.8	Very high	82.4	Confident	67 Å²	67	96.9 Å²	96.9	41%	0.406	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-99.2	122	167.9	-172.8	0	0	0	0	107.1	R102	V32-R102 HydrophobicContact CG1-CB 4.36Å; V32-R102 HydrophobicContact CG2-CB 4.25Å
33	H	95.1	Very high	84.3	Confident	13 Å²	13	100.2 Å²	100.2	6%	0.06	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-74.6	148.5	175.9	-71.6	-85	0	0	0	110.2	R27 I67 P68 F71 D101 R102 G104	R27-H33 PolarHBondContact NH2-CE1 2.9Å; H33-I67 WeakPolarHBondContact CE1-CG2 3.43Å; H33-P68 HydrophobicContact CB-CG 4.25Å; H33-F71 HydrophobicContact CB-CD2 4.49Å; H33-F71 AromaticContact CD2-CE2 3.61Å; H33-D101 IonicContact CD2-OD2 3.37Å; H33-D101 IonicContact CE1-OD2 2.69Å; H33-D101 IonicContact NE2-OD2 3.77Å; H33-D101 PolarHBondContact NE2-OD2 3.26Å; H33-R102 PolarHBondContact N-O 3.18Å; H33-G104 WeakPolarHBondContact O-CA 3.33Å; H33-G104 PolarHBondContact O-N 2.78Å
34	P	94.6	Very high	86.3	Confident	92 Å²	92	95.7 Å²	95.7	60%	0.597	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-62.9	157.9	170.5	28.5	-35.2	0	0	0	110.9	P68	P34-P68 HydrophobicContact CG-CB 4.49Å; P34-P68 HydrophobicContact CG-CG 3.8Å; P34-P68 WeakPolarHBondContact O-CB 3.4Å
35	S	91.5	Very high	87.4	Confident	67 Å²	67	96.3 Å²	96.3	47%	0.469	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-75.5	135.7	170.2	-168.7	0	0	0	0	110.4
36	A	93.4	Very high	88.3	Confident	27 Å²	27	93.8 Å²	93.8	22%	0.223	48%	0.482	C	S	.	.			trans	-125.9	168.8	169.8	0	0	0	0	0	110.4	P68 E69 A72 R75	A36-P68 HydrophobicContact CB-CB 3.57Å; A36-E69 HydrophobicContact CB-CG 3.95Å; A36-A72 VanDerWaalsContact O-CB 3.31Å; A36-A72 WeakPolarHBondContact O-CB 3.45Å; A36-R75 PolarHBondContact O-NH2 3.03Å
37	Q	90.9	Very high	89.2	Confident	174 Å²	174	95.9 Å²	95.9	81%	0.813	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-84.6	160.8	167.1	-66.1	-174.6	0.5	0	0	110.1	A72	Q37-A72 VanDerWaalsContact C-CB 3.48Å
38	A	92.3	Very high	89.3	Confident	26 Å²	26	94.5 Å²	94.5	22%	0.215	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-77	127.5	174.3	0	0	0	0	0	109.5	L40 A72 I73	A38-L40 PolarHBondContact O-N 3.05Å; A38-A72 HydrophobicContact CB-CB 4.14Å; A38-I73 HydrophobicContact CB-CG1 4.18Å
39	P	94.1	Very high	89.9	Confident	26 Å²	26	85.6 Å²	85.6	17%	0.169	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-72.6	121.6	-179.5	29.2	-34.4	0	0	0	109.3	F49 I59 T65 E69 I73	P39-F49 WeakPolarHBondContact O-CD2 3.28Å; P39-F49 VanDerWaalsContact O-CE2 3.23Å; P39-F49 WeakPolarHBondContact O-CE2 3.44Å; P39-I59 HydrophobicContact CB-CG2 3.75Å; P39-I59 HydrophobicContact CG-CG2 3.54Å; P39-T65 HydrophobicContact CG-CG2 4.05Å; P39-E69 HydrophobicContact CG-CB 4.02Å; P39-E69 HydrophobicContact CG-CG 4.4Å; P39-I73 HydrophobicContact CG-CD1 4.27Å
40	L	92.9	Very high	90.2	Very high	69 Å²	69	77 Å²	77	36%	0.361	42%	0.42	S	S	.	.			trans	-109.5	152.7	176.4	-65	174.9	0	0	0	110.2	A38 Y44 F49	A38-L40 PolarHBondContact O-N 3.05Å; L40-Y44 HydrophobicContact CD2-CD1 4.26Å; L40-F49 HydrophobicContact CD2-CB 4.11Å; L40-F49 HydrophobicContact CD2-CD2 4.21Å
41	P	92.1	Very high	90.1	Very high	23 Å²	23	73.5 Å²	73.5	15%	0.149	40%	0.398	C	S	.	.			trans	-55.6	155.5	170	-23.4	33.3	0	0	0	112.2	Y44 A55 I59	P41-Y44 HydrophobicContact CB-CD2 3.86Å; P41-Y44 HydrophobicContact CB-CG 4.15Å; P41-Y44 HydrophobicContact CG-CD2 3.67Å; P41-Y44 HydrophobicContact CG-CE2 4.03Å; P41-Y44 HydrophobicContact CG-CG 3.99Å; P41-Y44 WeakPolarHBondContact O-CB 3.39Å; P41-Y44 PolarHBondContact O-N 3.41Å; P41-A55 HydrophobicContact CB-CB 4.04Å; P41-A55 HydrophobicContact CG-CB 3.73Å; P41-I59 HydrophobicContact CB-CD1 4.41Å; P41-I59 HydrophobicContact CG-CD1 3.85Å
42	K	86.9	Confident	90.1	Very high	196 Å²	196	73.2 Å²	73.2	85%	0.852	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	139.2	172.5	-66.7	-178.9	-178.9	177	0	109.5	Y44	K42-Y44 PolarHBondContact O-N 3.21Å; K42-Y44 VanDerWaalsContact O-N 3.15Å
43	D	84.2	Confident	90	Very high	168 Å²	168	72 Å²	72	90%	0.898	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	27.6	-178.4	-52	-49.8	0	0	0	114.3	V45	D43-V45 PolarHBondContact O-N 3.06Å
44	Y	87.6	Confident	90	Very high	45 Å²	45	75.7 Å²	75.7	18%	0.176	42%	0.415	C	S	.	.			trans	-67.1	131.5	-179.4	-158.1	-124.4	0	0	0	111.9	L40 P41 K42 F46 F48 D53 C56	L40-Y44 HydrophobicContact CD2-CD1 4.26Å; P41-Y44 HydrophobicContact CB-CD2 3.86Å; P41-Y44 HydrophobicContact CB-CG 4.15Å; P41-Y44 HydrophobicContact CG-CD2 3.67Å; P41-Y44 HydrophobicContact CG-CE2 4.03Å; P41-Y44 HydrophobicContact CG-CG 3.99Å; P41-Y44 WeakPolarHBondContact O-CB 3.39Å; P41-Y44 PolarHBondContact O-N 3.41Å; K42-Y44 PolarHBondContact O-N 3.21Å; K42-Y44 VanDerWaalsContact O-N 3.15Å; Y44-F46 VanDerWaalsContact C-N 3.31Å; Y44-F46 HydrophobicContact CD1-CB 4.05Å; Y44-F46 WeakPolarHBondContact CD1-O 3.25Å; Y44-F46 HydrophobicContact CE1-CB 3.77Å; Y44-F46 AromaticContact CE1-CD2 3.91Å; Y44-F46 HydrophobicContact CE1-CD2 3.91Å; Y44-F46 HydrophobicContact CE1-CG 4.35Å; Y44-F46 HydrophobicContact CE2-CD2 4.48Å; Y44-F46 AromaticContact CZ-CD2 3.84Å; Y44-F46 PolarHBondContact O-N 2.97Å; Y44-F48 WeakPolarHBondContact CE1-O 3.35Å; Y44-D53 VanDerWaalsContact OH-CB 3.27Å; Y44-D53 WeakPolarHBondContact OH-CB 3.16Å; Y44-D53 VanDerWaalsContact OH-CG 3.31Å; Y44-C56 PolarHBondContact OH-SG 2.85Å
45	V	81.1	Confident	90	Very high	132 Å²	132	73.1 Å²	73.1	80%	0.8	40%	0.401	S	S	*	.	S	Bend	trans	-73.1	-24.8	-173.3	-179.2	0	0	0	0	112.4	D43	D43-V45 PolarHBondContact O-N 3.06Å
46	F	79.2	Confident	90.2	Very high	104 Å²	104	69.9 Å²	69.9	46%	0.456	38%	0.378	S	S	.	.			trans	-98.7	145.5	-178.2	-55.9	-71.4	0	0	0	111.9	Y44 F48	Y44-F46 VanDerWaalsContact C-N 3.31Å; Y44-F46 HydrophobicContact CD1-CB 4.05Å; Y44-F46 WeakPolarHBondContact CD1-O 3.25Å; Y44-F46 HydrophobicContact CE1-CB 3.77Å; Y44-F46 AromaticContact CE1-CD2 3.91Å; Y44-F46 HydrophobicContact CE1-CD2 3.91Å; Y44-F46 HydrophobicContact CE1-CG 4.35Å; Y44-F46 HydrophobicContact CE2-CD2 4.48Å; Y44-F46 AromaticContact CZ-CD2 3.84Å; Y44-F46 PolarHBondContact O-N 2.97Å; F46-F48 HydrophobicContact CB-CD1 4.09Å; F46-F48 HydrophobicContact CB-CE1 3.94Å; F46-F48 HydrophobicContact CB-CZ 4.27Å; F46-F48 AromaticContact CD1-CE1 3.95Å; F46-F48 HydrophobicContact CD1-CE1 3.95Å; F46-F48 HydrophobicContact CD1-CZ 4.14Å; F46-F48 HydrophobicContact CG-CE1 4.19Å; F46-F48 HydrophobicContact CG-CZ 4.23Å; F46-F48 PolarHBondContact O-N 2.66Å
47	T	82.7	Confident	90.3	Very high	138 Å²	138	71.5 Å²	71.5	85%	0.847	38%	0.383	S	S	*	.	S	Bend	trans	-87.1	13.9	176.4	61.9	0	0	0	0	113.1
48	F	85.8	Confident	90.6	Very high	49 Å²	49	70.1 Å²	70.1	22%	0.215	38%	0.376	C	S	.	.	S	Bend	trans	-140.8	157.9	-178.2	66.8	-94.1	0	0	0	109.4	Y44 F46 D50 Q76 V78 Q80	Y44-F48 WeakPolarHBondContact CE1-O 3.35Å; F46-F48 HydrophobicContact CB-CD1 4.09Å; F46-F48 HydrophobicContact CB-CE1 3.94Å; F46-F48 HydrophobicContact CB-CZ 4.27Å; F46-F48 AromaticContact CD1-CE1 3.95Å; F46-F48 HydrophobicContact CD1-CE1 3.95Å; F46-F48 HydrophobicContact CD1-CZ 4.14Å; F46-F48 HydrophobicContact CG-CE1 4.19Å; F46-F48 HydrophobicContact CG-CZ 4.23Å; F46-F48 PolarHBondContact O-N 2.66Å; F48-D50 HydrophobicContact CE2-CB 4.25Å; F48-Q76 VanDerWaalsContact CA-OE1 3.24Å; F48-Q76 VanDerWaalsContact CB-OE1 3.31Å; F48-V78 HydrophobicContact CB-CG1 4.4Å; F48-V78 HydrophobicContact CD2-CG1 4.49Å; F48-V78 HydrophobicContact CD2-CG2 4.06Å; F48-V78 HydrophobicContact CG-CG1 4.36Å; F48-Q80 HydrophobicContact CE2-CG 4.35Å
49	F	91.4	Very high	90.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.374	C	S	.	.			trans	-85.1	127	179.9	-167.3	-86.5	0	0	0	110	P39 L40 P51 C56 I59 L60 I73 V81	P39-F49 WeakPolarHBondContact O-CD2 3.28Å; P39-F49 VanDerWaalsContact O-CE2 3.23Å; P39-F49 WeakPolarHBondContact O-CE2 3.44Å; L40-F49 HydrophobicContact CD2-CB 4.11Å; L40-F49 HydrophobicContact CD2-CD2 4.21Å; F49-P51 HydrophobicContact CD1-CG 3.92Å; F49-P51 HydrophobicContact CE1-CB 4.35Å; F49-P51 HydrophobicContact CE1-CG 4.06Å; F49-C56 HydrophobicContact CD1-CB 4.26Å; F49-C56 HydrophobicContact CD2-CB 4.3Å; F49-C56 HydrophobicContact CE1-CB 3.94Å; F49-C56 HydrophobicContact CE2-CB 3.99Å; F49-C56 HydrophobicContact CG-CB 4.45Å; F49-C56 HydrophobicContact CZ-CB 3.82Å; F49-C56 WeakPolarHBondContact CZ-O 3.44Å; F49-I59 HydrophobicContact CE2-CB 4.22Å; F49-I59 HydrophobicContact CE2-CG2 3.98Å; F49-I59 HydrophobicContact CZ-CB 4.47Å; F49-I59 HydrophobicContact CZ-CG2 4.45Å; F49-L60 HydrophobicContact CE1-CB 4.27Å; F49-L60 HydrophobicContact CZ-CB 3.99Å; F49-I73 HydrophobicContact CB-CG1 4.34Å; F49-I73 HydrophobicContact CB-CG2 4.25Å; F49-I73 HydrophobicContact CD1-CB 4.49Å; F49-I73 HydrophobicContact CD1-CD1 4.13Å; F49-I73 HydrophobicContact CD1-CG1 4.12Å; F49-I73 HydrophobicContact CD1-CG2 3.54Å; F49-I73 HydrophobicContact CD2-CD1 3.88Å; F49-I73 HydrophobicContact CD2-CG1 3.88Å; F49-I73 HydrophobicContact CE1-CD1 3.83Å; F49-I73 HydrophobicContact CE1-CG1 4.34Å; F49-I73 HydrophobicContact CE1-CG2 3.99Å; F49-I73 HydrophobicContact CE2-CD1 3.56Å; F49-I73 HydrophobicContact CE2-CG1 4.11Å; F49-I73 HydrophobicContact CG-CD1 4.14Å; F49-I73 HydrophobicContact CG-CG1 3.87Å; F49-I73 HydrophobicContact CG-CG2 3.95Å; F49-I73 HydrophobicContact CZ-CD1 3.51Å; F49-I73 HydrophobicContact CZ-CG1 4.31Å; F49-V81 VanDerWaalsContact O-CG2 3.25Å; F49-V81 WeakPolarHBondContact O-CG2 3.22Å
50	D	93.2	Very high	90.9	Very high	28 Å²	28	69.2 Å²	69.2	15%	0.15	37%	0.366	C	S	.	.			trans	-112	103.1	174.8	-171.8	-15.1	0	0	0	110.2	F48 N52 D53 C56 Q80	F48-D50 HydrophobicContact CE2-CB 4.25Å; D50-N52 PolarHBondContact O-N 2.64Å; D50-N52 VanDerWaalsContact OD1-CB 3.31Å; D50-N52 WeakPolarHBondContact OD1-CB 3.34Å; D50-N52 PolarHBondContact OD1-N 3.16Å; D50-N52 PolarHBondContact OD1-ND2 2.89Å; D50-D53 HydrophobicContact CB-CB 4.17Å; D50-D53 WeakPolarHBondContact O-CB 3.23Å; D50-D53 PolarHBondContact O-N 2.96Å; D50-C56 WeakPolarHBondContact O-CB 3.28Å; D50-Q80 HydrophobicContact CB-CB 4.41Å; D50-Q80 HydrophobicContact CB-CG 4.35Å; D50-Q80 WeakPolarHBondContact OD1-CB 3.39Å; D50-Q80 WeakPolarHBondContact OD1-CG 3.39Å; D50-Q80 WeakPolarHBondContact OD2-CG 3.07Å
51	P	93.7	Very high	91.1	Very high	4 Å²	4	69.6 Å²	69.6	3%	0.026	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-0.2	178.8	-16.4	29	0	0	0	115.2	F49 L60 Q80 V81 K84 I88	F49-P51 HydrophobicContact CD1-CG 3.92Å; F49-P51 HydrophobicContact CE1-CB 4.35Å; F49-P51 HydrophobicContact CE1-CG 4.06Å; P51-L60 HydrophobicContact CB-CD2 4.12Å; P51-Q80 WeakPolarHBondContact CD-O 3.31Å; P51-V81 HydrophobicContact CG-CG2 4.22Å; P51-K84 HydrophobicContact CB-CB 4.14Å; P51-K84 HydrophobicContact CB-CG 4.09Å; P51-K84 HydrophobicContact CG-CB 4.19Å; P51-K84 HydrophobicContact CG-CG 4.41Å; P51-I88 HydrophobicContact CG-CD1 4.1Å
52	N	93.1	Very high	91.3	Very high	89 Å²	89	70.4 Å²	70.4	48%	0.476	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-14.2	172.3	-47.3	-82.3	0	0	0	112.3	D50 K84	D50-N52 PolarHBondContact O-N 2.64Å; D50-N52 VanDerWaalsContact OD1-CB 3.31Å; D50-N52 WeakPolarHBondContact OD1-CB 3.34Å; D50-N52 PolarHBondContact OD1-N 3.16Å; D50-N52 PolarHBondContact OD1-ND2 2.89Å; N52-K84 WeakPolarHBondContact OD1-CE 3.36Å
53	D	94.7	Very high	91.7	Very high	43 Å²	43	65.5 Å²	65.5	23%	0.23	36%	0.36	C	S	.	.	S	Bend	trans	-76.4	132.7	171.1	174.7	-90.6	0	0	0	110.2	Y44 D50 A55 C56 L57	Y44-D53 VanDerWaalsContact OH-CB 3.27Å; Y44-D53 WeakPolarHBondContact OH-CB 3.16Å; Y44-D53 VanDerWaalsContact OH-CG 3.31Å; D50-D53 HydrophobicContact CB-CB 4.17Å; D50-D53 WeakPolarHBondContact O-CB 3.23Å; D50-D53 PolarHBondContact O-N 2.96Å; D53-A55 PolarHBondContact O-N 3.46Å; D53-A55 WeakPolarHBondContact OD1-CA 3.42Å; D53-A55 WeakPolarHBondContact OD1-CB 3.39Å; D53-A55 PolarHBondContact OD1-N 3.49Å; D53-C56 HydrophobicContact CB-CB 4.14Å; D53-C56 PolarHBondContact O-N 3.29Å; D53-C56 PolarHBondContact OD1-N 2.78Å; D53-L57 WeakPolarHBondContact O-CB 3.23Å; D53-L57 PolarHBondContact O-N 3.36Å
54	P	95.2	Very high	92.2	Very high	90 Å²	90	67.3 Å²	67.3	58%	0.584	35%	0.354	S	S	*	.	H	α-helix	trans	-58.1	-39.9	-177.5	-27.7	36	0	0	0	114.6	L57 E58	P54-L57 PolarHBondContact O-N 2.85Å; P54-E58 WeakPolarHBondContact O-CG 3.3Å; P54-E58 PolarHBondContact O-N 2.88Å
55	A	94.7	Very high	92.6	Very high	37 Å²	37	65.7 Å²	65.7	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-73.2	-34.9	-178.1	0	0	0	0	0	111.7	P41 D53 I59	P41-A55 HydrophobicContact CB-CB 4.04Å; P41-A55 HydrophobicContact CG-CB 3.73Å; D53-A55 PolarHBondContact O-N 3.46Å; D53-A55 WeakPolarHBondContact OD1-CA 3.42Å; D53-A55 WeakPolarHBondContact OD1-CB 3.39Å; D53-A55 PolarHBondContact OD1-N 3.49Å; A55-I59 WeakPolarHBondContact O-CG1 3.35Å; A55-I59 PolarHBondContact O-N 3.27Å
56	C	95.8	Very high	93.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-40	168.6	-68.4	0	0	0	0	111.6	Y44 F49 D50 D53 E58 I59 L60	Y44-C56 PolarHBondContact OH-SG 2.85Å; F49-C56 HydrophobicContact CD1-CB 4.26Å; F49-C56 HydrophobicContact CD2-CB 4.3Å; F49-C56 HydrophobicContact CE1-CB 3.94Å; F49-C56 HydrophobicContact CE2-CB 3.99Å; F49-C56 HydrophobicContact CG-CB 4.45Å; F49-C56 HydrophobicContact CZ-CB 3.82Å; F49-C56 WeakPolarHBondContact CZ-O 3.44Å; D50-C56 WeakPolarHBondContact O-CB 3.28Å; D53-C56 HydrophobicContact CB-CB 4.14Å; D53-C56 PolarHBondContact O-N 3.29Å; D53-C56 PolarHBondContact OD1-N 2.78Å; C56-E58 PolarHBondContact O-N 2.92Å; C56-I59 PolarHBondContact O-N 3.38Å; C56-L60 PolarHBondContact O-N 3.07Å
57	L	95.9	Very high	94.2	Very high	60 Å²	60	57.4 Å²	57.4	31%	0.314	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-38.3	178	-175.3	61.7	0	0	0	112.2	D53 P54 I59 L60 L61 L87	D53-L57 WeakPolarHBondContact O-CB 3.23Å; D53-L57 PolarHBondContact O-N 3.36Å; P54-L57 PolarHBondContact O-N 2.85Å; L57-I59 PolarHBondContact O-N 3Å; L57-L60 HydrophobicContact CD1-CD2 4.24Å; L57-L60 PolarHBondContact O-N 3.25Å; L57-L61 HydrophobicContact CD1-CD1 3.98Å; L57-L61 HydrophobicContact CD1-CG 4.12Å; L57-L61 HydrophobicContact CG-CD1 3.97Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.48Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.25Å; L57-L61 PolarHBondContact O-N 2.8Å; L57-L87 HydrophobicContact CD1-CD2 4.23Å
58	E	95.9	Very high	94.9	Very high	145 Å²	145	51.7 Å²	51.7	68%	0.678	27%	0.273	S	S	*	.	H	α-helix	trans	-56.6	-47.4	170.1	-76.5	175.5	-170.5	0	0	111.5	P54 C56 L60 L61 D62	P54-E58 WeakPolarHBondContact O-CG 3.3Å; P54-E58 PolarHBondContact O-N 2.88Å; C56-E58 PolarHBondContact O-N 2.92Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 2.79Å; E58-L61 PolarHBondContact O-N 3.03Å; E58-D62 WeakPolarHBondContact O-CB 3.38Å; E58-D62 PolarHBondContact O-N 2.85Å
59	I	96.7	Very high	95.5	Very high	34 Å²	34	52.1 Å²	52.1	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-39	176.6	-66.2	168.3	0	0	0	111.8	P39 P41 F49 A55 C56 L57 L61 T65	P39-I59 HydrophobicContact CB-CG2 3.75Å; P39-I59 HydrophobicContact CG-CG2 3.54Å; P41-I59 HydrophobicContact CB-CD1 4.41Å; P41-I59 HydrophobicContact CG-CD1 3.85Å; F49-I59 HydrophobicContact CE2-CB 4.22Å; F49-I59 HydrophobicContact CE2-CG2 3.98Å; F49-I59 HydrophobicContact CZ-CB 4.47Å; F49-I59 HydrophobicContact CZ-CG2 4.45Å; A55-I59 WeakPolarHBondContact O-CG1 3.35Å; A55-I59 PolarHBondContact O-N 3.27Å; C56-I59 PolarHBondContact O-N 3.38Å; L57-I59 PolarHBondContact O-N 3Å; I59-L61 VanDerWaalsContact C-N 3.33Å; I59-L61 PolarHBondContact O-N 2.85Å; I59-T65 HydrophobicContact CG2-CG2 4.49Å; I59-T65 VanDerWaalsContact O-CB 3.28Å; I59-T65 WeakPolarHBondContact O-CB 3.39Å; I59-T65 PolarHBondContact O-OG1 2.67Å
60	L	96.8	Very high	95.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-38.4	178.5	178.5	55.9	0	0	0	111.8	F49 P51 C56 L57 E58 L70 L87 I88 E91 R95	F49-L60 HydrophobicContact CE1-CB 4.27Å; F49-L60 HydrophobicContact CZ-CB 3.99Å; P51-L60 HydrophobicContact CB-CD2 4.12Å; C56-L60 PolarHBondContact O-N 3.07Å; L57-L60 HydrophobicContact CD1-CD2 4.24Å; L57-L60 PolarHBondContact O-N 3.25Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 2.79Å; L60-L70 HydrophobicContact CD1-CD2 3.63Å; L60-L87 HydrophobicContact CD2-CD2 3.81Å; L60-L87 HydrophobicContact CD2-CG 4.07Å; L60-I88 HydrophobicContact CD1-CB 4.27Å; L60-I88 HydrophobicContact CD1-CG1 3.99Å; L60-I88 HydrophobicContact CD1-CG2 3.9Å; L60-I88 HydrophobicContact CD2-CG1 3.94Å; L60-E91 HydrophobicContact CD1-CB 4.47Å; L60-R95 PolarHBondContact O-NH2 3.14Å
61	L	96.3	Very high	96	Very high	76 Å²	76	50.8 Å²	50.8	40%	0.398	27%	0.269	S	S	.	.	H	α-helix	trans	-89.5	-16.2	-176.6	-62.2	177.8	0	0	0	113.6	L57 E58 I59 P63 E91	L57-L61 HydrophobicContact CD1-CD1 3.98Å; L57-L61 HydrophobicContact CD1-CG 4.12Å; L57-L61 HydrophobicContact CG-CD1 3.97Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.48Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.25Å; L57-L61 PolarHBondContact O-N 2.8Å; E58-L61 PolarHBondContact O-N 3.03Å; I59-L61 VanDerWaalsContact C-N 3.33Å; I59-L61 PolarHBondContact O-N 2.85Å; L61-P63 WeakPolarHBondContact O-CD 3.48Å; L61-E91 HydrophobicContact CD2-CG 4.1Å
62	D	96.5	Very high	96	Very high	41 Å²	41	50.8 Å²	50.8	22%	0.219	27%	0.269	C	S	.	.			trans	-61.5	118.9	176.3	-170.9	-26.5	0	0	0	111	E58 R64 T65 R95	E58-D62 WeakPolarHBondContact O-CB 3.38Å; E58-D62 PolarHBondContact O-N 2.85Å; D62-R64 PolarHBondContact O-N 3.46Å; D62-R64 VanDerWaalsContact OD1-CB 3.23Å; D62-R64 WeakPolarHBondContact OD1-CB 3.36Å; D62-R64 VanDerWaalsContact OD1-CG 3.3Å; D62-R64 WeakPolarHBondContact OD1-CG 3.17Å; D62-R64 PolarHBondContact OD1-N 2.6Å; D62-R64 IonicContact OD1-NE 2.67Å; D62-R64 PolarHBondContact OD1-NE 2.77Å; D62-R64 VanDerWaalsContact OD1-NE 3.09Å; D62-R64 IonicContact OD2-CZ 2.72Å; D62-R64 VanDerWaalsContact OD2-CZ 3.23Å; D62-R64 IonicContact OD2-NE 3.32Å; D62-R64 PolarHBondContact OD2-NE 2.95Å; D62-R64 IonicContact OD2-NH2 3.79Å; D62-R64 PolarHBondContact OD2-NH2 3.43Å; D62-T65 WeakPolarHBondContact O-CB 3.49Å; D62-T65 PolarHBondContact O-N 3.33Å; D62-R95 PolarHBondContact O-NH2 2.96Å
63	P	94.9	Very high	96.2	Very high	93 Å²	93	46.6 Å²	46.6	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.8	178.1	-25.5	35.6	0	0	0	114.6	L61	L61-P63 WeakPolarHBondContact O-CD 3.48Å
64	R	95	Very high	96.2	Very high	205 Å²	205	44.5 Å²	44.5	77%	0.774	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.7	177.1	-59	175.5	-66.1	-179.1	2.6	113.2	D62 S66	D62-R64 PolarHBondContact O-N 3.46Å; D62-R64 VanDerWaalsContact OD1-CB 3.23Å; D62-R64 WeakPolarHBondContact OD1-CB 3.36Å; D62-R64 VanDerWaalsContact OD1-CG 3.3Å; D62-R64 WeakPolarHBondContact OD1-CG 3.17Å; D62-R64 PolarHBondContact OD1-N 2.6Å; D62-R64 IonicContact OD1-NE 2.67Å; D62-R64 PolarHBondContact OD1-NE 2.77Å; D62-R64 VanDerWaalsContact OD1-NE 3.09Å; D62-R64 IonicContact OD2-CZ 2.72Å; D62-R64 VanDerWaalsContact OD2-CZ 3.23Å; D62-R64 IonicContact OD2-NE 3.32Å; D62-R64 PolarHBondContact OD2-NE 2.95Å; D62-R64 IonicContact OD2-NH2 3.79Å; D62-R64 PolarHBondContact OD2-NH2 3.43Å; R64-S66 PolarHBondContact O-N 2.97Å
65	T	96.8	Very high	96.1	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	21%	0.213	C	C	.	.	S	Bend	trans	-65.1	120.2	175.2	-63.5	0	0	0	0	108.6	P39 I59 D62 E69 L70 R95	P39-T65 HydrophobicContact CG-CG2 4.05Å; I59-T65 HydrophobicContact CG2-CG2 4.49Å; I59-T65 VanDerWaalsContact O-CB 3.28Å; I59-T65 WeakPolarHBondContact O-CB 3.39Å; I59-T65 PolarHBondContact O-OG1 2.67Å; D62-T65 WeakPolarHBondContact O-CB 3.49Å; D62-T65 PolarHBondContact O-N 3.33Å; T65-E69 HydrophobicContact CG2-CB 3.97Å; T65-L70 HydrophobicContact CG2-CD2 3.71Å; T65-L70 HydrophobicContact CG2-CG 4.11Å; T65-R95 WeakPolarHBondContact O-CD 3.32Å; T65-R95 PolarHBondContact O-NE 2.66Å
66	S	96.9	Very high	95.8	Very high	43 Å²	43	41.4 Å²	41.4	30%	0.301	21%	0.206	S	C	.	.			trans	-81.4	159.3	-167.7	70.4	0	0	0	0	113.3	R64 E69 L70	R64-S66 PolarHBondContact O-N 2.97Å; S66-E69 VanDerWaalsContact CB-OE2 3.23Å; S66-E69 WeakPolarHBondContact CB-OE2 3.24Å; S66-E69 PolarHBondContact N-OE2 3.09Å; S66-E69 WeakPolarHBondContact O-CB 3.41Å; S66-E69 PolarHBondContact O-N 3.32Å; S66-E69 WeakPolarHBondContact OG-CG 3.41Å; S66-E69 PolarHBondContact OG-N 3.16Å; S66-E69 PolarHBondContact OG-OE2 3.46Å; S66-L70 WeakPolarHBondContact O-CG 3.2Å; S66-L70 PolarHBondContact O-N 3.16Å
67	I	96.8	Very high	95.4	Very high	20 Å²	20	42.3 Å²	42.3	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-43.3	175.4	-64.9	161.4	0	0	0	112.6	H33 E69 L70 F71 I92 R95 C97	H33-I67 WeakPolarHBondContact CE1-CG2 3.43Å; I67-E69 VanDerWaalsContact C-N 3.32Å; I67-E69 PolarHBondContact O-N 2.98Å; I67-L70 PolarHBondContact O-N 3.45Å; I67-F71 HydrophobicContact CG2-CD2 3.64Å; I67-F71 HydrophobicContact CG2-CE2 3.5Å; I67-F71 WeakPolarHBondContact O-CD2 3.49Å; I67-F71 PolarHBondContact O-N 3.33Å; I67-I92 HydrophobicContact CG2-CG2 4.01Å; I67-R95 HydrophobicContact CD1-CB 4.12Å; I67-R95 HydrophobicContact CG1-CB 3.89Å; I67-C97 HydrophobicContact CD1-CB 3.75Å; I67-C97 HydrophobicContact CG1-CB 4.28Å; I67-C97 HydrophobicContact CG2-CB 4.35Å
68	P	97.3	Very high	95	Very high	18 Å²	18	41 Å²	41	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-50.9	-44.4	169.4	-32	36.7	0	0	0	115.1	H33 P34 A36 F71 A72	H33-P68 HydrophobicContact CB-CG 4.25Å; P34-P68 HydrophobicContact CG-CB 4.49Å; P34-P68 HydrophobicContact CG-CG 3.8Å; P34-P68 WeakPolarHBondContact O-CB 3.4Å; A36-P68 HydrophobicContact CB-CB 3.57Å; P68-F71 PolarHBondContact O-N 2.76Å; P68-A72 PolarHBondContact O-N 2.94Å
69	E	97.4	Very high	94.7	Very high	58 Å²	58	36.6 Å²	36.6	27%	0.271	19%	0.187	S	C	.	.	H	α-helix	trans	-69.1	-38.7	179.7	-76.2	165.8	129	0	0	111.7	A36 P39 T65 S66 I67 A72 I73	A36-E69 HydrophobicContact CB-CG 3.95Å; P39-E69 HydrophobicContact CG-CB 4.02Å; P39-E69 HydrophobicContact CG-CG 4.4Å; T65-E69 HydrophobicContact CG2-CB 3.97Å; S66-E69 VanDerWaalsContact CB-OE2 3.23Å; S66-E69 WeakPolarHBondContact CB-OE2 3.24Å; S66-E69 PolarHBondContact N-OE2 3.09Å; S66-E69 WeakPolarHBondContact O-CB 3.41Å; S66-E69 PolarHBondContact O-N 3.32Å; S66-E69 WeakPolarHBondContact OG-CG 3.41Å; S66-E69 PolarHBondContact OG-N 3.16Å; S66-E69 PolarHBondContact OG-OE2 3.46Å; I67-E69 VanDerWaalsContact C-N 3.32Å; I67-E69 PolarHBondContact O-N 2.98Å; E69-A72 CarbonylContact O-C 3.51Å; E69-A72 WeakPolarHBondContact O-CA 3.33Å; E69-A72 WeakPolarHBondContact O-CB 3.45Å; E69-A72 PolarHBondContact O-N 2.78Å; E69-A72 VanDerWaalsContact O-N 3.14Å; E69-I73 WeakPolarHBondContact O-CG1 3.42Å; E69-I73 PolarHBondContact O-N 2.77Å
70	L	97.9	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-38.3	173.9	-62.8	-179.8	0	0	0	112.4	L60 T65 S66 I67 A72 I73 I74 I88 E91 I92	L60-L70 HydrophobicContact CD1-CD2 3.63Å; T65-L70 HydrophobicContact CG2-CD2 3.71Å; T65-L70 HydrophobicContact CG2-CG 4.11Å; S66-L70 WeakPolarHBondContact O-CG 3.2Å; S66-L70 PolarHBondContact O-N 3.16Å; I67-L70 PolarHBondContact O-N 3.45Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3Å; L70-I73 HydrophobicContact CD2-CD1 4.1Å; L70-I73 PolarHBondContact O-N 2.73Å; L70-I74 PolarHBondContact O-N 2.87Å; L70-I88 HydrophobicContact CB-CG2 4.48Å; L70-E91 HydrophobicContact CD1-CB 4.45Å; L70-I92 HydrophobicContact CB-CD1 3.7Å; L70-I92 HydrophobicContact CB-CG1 3.37Å; L70-I92 HydrophobicContact CD1-CB 4.41Å; L70-I92 HydrophobicContact CD1-CG1 3.55Å; L70-I92 HydrophobicContact CG-CG1 4.11Å
71	F	97	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-40.9	168.4	-84.7	-63.8	0	0	0	111.1	H33 I67 P68 I73 I74 R75 D103 L110 Y113	H33-F71 HydrophobicContact CB-CD2 4.49Å; H33-F71 AromaticContact CD2-CE2 3.61Å; I67-F71 HydrophobicContact CG2-CD2 3.64Å; I67-F71 HydrophobicContact CG2-CE2 3.5Å; I67-F71 WeakPolarHBondContact O-CD2 3.49Å; I67-F71 PolarHBondContact O-N 3.33Å; P68-F71 PolarHBondContact O-N 2.76Å; F71-I73 VanDerWaalsContact C-N 3.27Å; F71-I73 PolarHBondContact O-N 3.28Å; F71-I74 PolarHBondContact O-N 3.06Å; F71-R75 WeakPolarHBondContact O-CG 3.35Å; F71-R75 PolarHBondContact O-N 2.73Å; F71-D103 HydrophobicContact CB-CB 4.21Å; F71-D103 HydrophobicContact CD1-CB 3.79Å; F71-D103 HydrophobicContact CE1-CB 4.24Å; F71-D103 HydrophobicContact CG-CB 3.95Å; F71-L110 HydrophobicContact CD1-CD2 4.49Å; F71-L110 HydrophobicContact CE1-CD2 3.72Å; F71-L110 HydrophobicContact CE1-CG 4.19Å; F71-L110 HydrophobicContact CZ-CD2 4.13Å; F71-L110 HydrophobicContact CZ-CG 4.26Å; F71-Y113 HydrophobicContact CD1-CD2 4.25Å; F71-Y113 AromaticContact CD1-CE2 3.79Å; F71-Y113 HydrophobicContact CD1-CE2 3.79Å; F71-Y113 HydrophobicContact CE1-CD2 4.2Å; F71-Y113 HydrophobicContact CE1-CE2 4.01Å
72	A	95.4	Very high	94.1	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-30.4	176	0	0	0	0	0	113.5	A36 Q37 A38 P68 E69 L70 R75	A36-A72 VanDerWaalsContact O-CB 3.31Å; A36-A72 WeakPolarHBondContact O-CB 3.45Å; Q37-A72 VanDerWaalsContact C-CB 3.48Å; A38-A72 HydrophobicContact CB-CB 4.14Å; P68-A72 PolarHBondContact O-N 2.94Å; E69-A72 CarbonylContact O-C 3.51Å; E69-A72 WeakPolarHBondContact O-CA 3.33Å; E69-A72 WeakPolarHBondContact O-CB 3.45Å; E69-A72 PolarHBondContact O-N 2.78Å; E69-A72 VanDerWaalsContact O-N 3.14Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3Å; A72-R75 VanDerWaalsContact CB-NH2 3.33Å
73	I	95.8	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-56.1	168.1	-65.5	163.6	0	0	0	109.9	A38 P39 F49 E69 L70 F71 R75 Q76 V81 I88	A38-I73 HydrophobicContact CB-CG1 4.18Å; P39-I73 HydrophobicContact CG-CD1 4.27Å; F49-I73 HydrophobicContact CB-CG1 4.34Å; F49-I73 HydrophobicContact CB-CG2 4.25Å; F49-I73 HydrophobicContact CD1-CB 4.49Å; F49-I73 HydrophobicContact CD1-CD1 4.13Å; F49-I73 HydrophobicContact CD1-CG1 4.12Å; F49-I73 HydrophobicContact CD1-CG2 3.54Å; F49-I73 HydrophobicContact CD2-CD1 3.88Å; F49-I73 HydrophobicContact CD2-CG1 3.88Å; F49-I73 HydrophobicContact CE1-CD1 3.83Å; F49-I73 HydrophobicContact CE1-CG1 4.34Å; F49-I73 HydrophobicContact CE1-CG2 3.99Å; F49-I73 HydrophobicContact CE2-CD1 3.56Å; F49-I73 HydrophobicContact CE2-CG1 4.11Å; F49-I73 HydrophobicContact CG-CD1 4.14Å; F49-I73 HydrophobicContact CG-CG1 3.87Å; F49-I73 HydrophobicContact CG-CG2 3.95Å; F49-I73 HydrophobicContact CZ-CD1 3.51Å; F49-I73 HydrophobicContact CZ-CG1 4.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.42Å; E69-I73 PolarHBondContact O-N 2.77Å; L70-I73 HydrophobicContact CD2-CD1 4.1Å; L70-I73 PolarHBondContact O-N 2.73Å; F71-I73 VanDerWaalsContact C-N 3.27Å; F71-I73 PolarHBondContact O-N 3.28Å; I73-R75 PolarHBondContact O-N 2.91Å; I73-R75 VanDerWaalsContact O-N 3.13Å; I73-Q76 WeakPolarHBondContact O-CB 3.21Å; I73-Q76 WeakPolarHBondContact O-CG 3.42Å; I73-Q76 PolarHBondContact O-N 2.66Å; I73-V81 HydrophobicContact CG2-CG1 4.23Å; I73-V81 HydrophobicContact CG2-CG2 4.17Å; I73-V81 WeakPolarHBondContact O-CG1 3.41Å; I73-I88 HydrophobicContact CG2-CD1 3.97Å
74	I	95.4	Very high	94.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.1	-31.6	-177.1	-70.5	-176.4	0	0	0	113.5	L70 F71 Q76 Q82 I85 I88 I92 L110 Y113	L70-I74 PolarHBondContact O-N 2.87Å; F71-I74 PolarHBondContact O-N 3.06Å; I74-Q76 PolarHBondContact O-N 2.76Å; I74-Q82 PolarHBondContact O-NE2 3.25Å; I74-Q82 VanDerWaalsContact O-NE2 3.08Å; I74-I85 HydrophobicContact CB-CD1 4.41Å; I74-I85 HydrophobicContact CD1-CD1 3.91Å; I74-I85 HydrophobicContact CG1-CD1 4.04Å; I74-I85 HydrophobicContact CG2-CD1 3.6Å; I74-I88 HydrophobicContact CD1-CB 4.1Å; I74-I88 HydrophobicContact CD1-CG2 3.75Å; I74-I88 HydrophobicContact CG1-CB 3.98Å; I74-I88 HydrophobicContact CG1-CD1 4.36Å; I74-I88 HydrophobicContact CG1-CG2 3.5Å; I74-I92 HydrophobicContact CD1-CD1 3.45Å; I74-I92 VanDerWaalsContact CD1-CD1 3.45Å; I74-I92 HydrophobicContact CG1-CD1 4.4Å; I74-L110 HydrophobicContact CD1-CD2 4.03Å; I74-Y113 HydrophobicContact CG2-CD1 3.45Å; I74-Y113 VanDerWaalsContact CG2-CD1 3.45Å; I74-Y113 HydrophobicContact CG2-CD2 4Å; I74-Y113 HydrophobicContact CG2-CE1 4.02Å; I74-Y113 HydrophobicContact CG2-CG 3.41Å; I74-Y113 VanDerWaalsContact CG2-CG 3.41Å
75	R	92	Very high	94.2	Very high	28 Å²	28	25.4 Å²	25.4	11%	0.106	13%	0.13	C	C	.	.	H	α-helix	trans	-56	-33.6	175.3	-78.3	-172	-46.7	-128.4	9.7	112.8	A36 F71 A72 I73 W77 D103 Y113	A36-R75 PolarHBondContact O-NH2 3.03Å; F71-R75 WeakPolarHBondContact O-CG 3.35Å; F71-R75 PolarHBondContact O-N 2.73Å; A72-R75 VanDerWaalsContact CB-NH2 3.33Å; I73-R75 PolarHBondContact O-N 2.91Å; I73-R75 VanDerWaalsContact O-N 3.13Å; R75-W77 PolarHBondContact O-N 3Å; R75-D103 WeakPolarHBondContact CD-OD2 3.45Å; R75-D103 IonicContact CZ-OD1 3.16Å; R75-D103 IonicContact NH1-OD1 2.72Å; R75-D103 PolarHBondContact NH1-OD1 3.28Å; R75-D103 IonicContact NH1-OD2 3.88Å; R75-Y113 HydrophobicContact CG-CE1 4.11Å; R75-Y113 WeakPolarHBondContact CG-OH 3.08Å
76	Q	89.4	Confident	94.3	Very high	34 Å²	34	26 Å²	26	16%	0.159	13%	0.133	C	C	.	.			trans	-65.7	113.9	-174.4	-61	177.8	46.6	0	0	111.7	F48 I73 I74 V78 V81 Q82	F48-Q76 VanDerWaalsContact CA-OE1 3.24Å; F48-Q76 VanDerWaalsContact CB-OE1 3.31Å; I73-Q76 WeakPolarHBondContact O-CB 3.21Å; I73-Q76 WeakPolarHBondContact O-CG 3.42Å; I73-Q76 PolarHBondContact O-N 2.66Å; I74-Q76 PolarHBondContact O-N 2.76Å; Q76-V78 HydrophobicContact CB-CG2 4.26Å; Q76-V78 PolarHBondContact O-N 3.27Å; Q76-V81 HydrophobicContact CB-CG2 4.33Å; Q76-Q82 PolarHBondContact O-NE2 3.11Å
77	W	87.9	Confident	94.3	Very high	19 Å²	19	26.6 Å²	26.6	7%	0.072	13%	0.132	C	C	.	.			trans	-83.2	63.4	-178.7	-169.9	-124.6	0	0	0	111.5	R75 Q82 K116 A119 V122 F160 F547	R75-W77 PolarHBondContact O-N 3Å; W77-Q82 HydrophobicContact CE3-CG 3.55Å; W77-Q82 HydrophobicContact CZ3-CG 3.74Å; W77-Q82 VanDerWaalsContact CZ3-OE1 3.31Å; W77-K116 HydrophobicContact CE3-CD 4.17Å; W77-K116 HydrophobicContact CE3-CG 3.82Å; W77-K116 VanDerWaalsContact CE3-NZ 3.31Å; W77-K116 HydrophobicContact CH2-CG 3.88Å; W77-K116 WeakPolarHBondContact CH2-O 3.28Å; W77-K116 HydrophobicContact CZ3-CD 4.14Å; W77-K116 HydrophobicContact CZ3-CG 3.29Å; W77-K116 VanDerWaalsContact CZ3-O 3.31Å; W77-K116 WeakPolarHBondContact CZ3-O 3.41Å; W77-A119 HydrophobicContact CH2-CB 3.61Å; W77-A119 HydrophobicContact CZ2-CB 4.07Å; W77-V122 HydrophobicContact CD2-CG1 3.86Å; W77-V122 HydrophobicContact CE3-CG1 4.03Å; W77-V122 HydrophobicContact CG-CG1 4.46Å; W77-V122 HydrophobicContact CH2-CB 4.26Å; W77-V122 HydrophobicContact CH2-CG1 4.22Å; W77-V122 HydrophobicContact CZ2-CB 3.99Å; W77-V122 HydrophobicContact CZ2-CG1 4Å; W77-V122 HydrophobicContact CZ2-CG2 4.25Å; W77-V122 HydrophobicContact CZ3-CG1 4.19Å; W77-F160 AromaticContact CH2-CD1 3.99Å; W77-F160 HydrophobicContact CH2-CD1 3.99Å; W77-F160 AromaticContact CH2-CE1 3.76Å; W77-F160 HydrophobicContact CH2-CE1 3.76Å; W77-F160 HydrophobicContact CH2-CZ 4.39Å; W77-F160 HydrophobicContact CZ2-CD1 4.06Å; W77-F160 AromaticContact CZ2-CE1 3.64Å; W77-F160 HydrophobicContact CZ2-CE1 3.64Å; W77-F160 HydrophobicContact CZ2-CZ 4.5Å; W77-F547 AromaticContact CD1-CD2 3.49Å; W77-F547 VanDerWaalsContact CD1-CD2 3.49Å
78	V	87.2	Confident	94.3	Very high	31 Å²	31	25.6 Å²	25.6	19%	0.188	13%	0.128	C	C	.	.	S	Bend	trans	-124.5	141.1	176.6	-60.6	0	0	0	0	109.7	F48 Q76 Q80 V81 Q82	F48-V78 HydrophobicContact CB-CG1 4.4Å; F48-V78 HydrophobicContact CD2-CG1 4.49Å; F48-V78 HydrophobicContact CD2-CG2 4.06Å; F48-V78 HydrophobicContact CG-CG1 4.36Å; Q76-V78 HydrophobicContact CB-CG2 4.26Å; Q76-V78 PolarHBondContact O-N 3.27Å; V78-Q80 HydrophobicContact CG2-CB 4.46Å; V78-Q80 PolarHBondContact O-N 2.84Å; V78-Q80 VanDerWaalsContact O-N 3.17Å; V78-V81 HydrophobicContact CG2-CB 3.96Å; V78-V81 HydrophobicContact CG2-CG2 3.65Å; V78-V81 PolarHBondContact O-N 2.81Å; V78-V81 VanDerWaalsContact O-N 3.09Å; V78-Q82 PolarHBondContact O-N 2.92Å; V78-Q82 VanDerWaalsContact O-N 3.14Å
79	P	88.8	Confident	94.3	Very high	53 Å²	53	24.8 Å²	24.8	34%	0.344	12%	0.122	S	C	.	.	H	α-helix	trans	-55.6	-37.1	-174.1	-27.4	34.4	0	0	0	114.6	V81 Q82 H83 V122	P79-V81 VanDerWaalsContact C-N 3.26Å; P79-V81 PolarHBondContact O-N 3.36Å; P79-Q82 PolarHBondContact O-N 3.23Å; P79-H83 VanDerWaalsContact O-CB 3.24Å; P79-H83 WeakPolarHBondContact O-CB 3.14Å; P79-H83 PolarHBondContact O-CD2 3.5Å; P79-H83 VanDerWaalsContact O-CG 3.23Å; P79-H83 PolarHBondContact O-N 2.83Å; P79-V122 VanDerWaalsContact CA-O 3.3Å; P79-V122 WeakPolarHBondContact CA-O 3.28Å; P79-V122 HydrophobicContact CG-CG1 4.33Å
80	Q	90.8	Very high	94.3	Very high	59 Å²	59	24.5 Å²	24.5	28%	0.276	12%	0.123	S	C	.	.	H	α-helix	trans	-52.1	-43.2	177.5	-65.4	79.7	-2.6	0	0	112.5	F48 D50 P51 V78 K84	F48-Q80 HydrophobicContact CE2-CG 4.35Å; D50-Q80 HydrophobicContact CB-CB 4.41Å; D50-Q80 HydrophobicContact CB-CG 4.35Å; D50-Q80 WeakPolarHBondContact OD1-CB 3.39Å; D50-Q80 WeakPolarHBondContact OD1-CG 3.39Å; D50-Q80 WeakPolarHBondContact OD2-CG 3.07Å; P51-Q80 WeakPolarHBondContact CD-O 3.31Å; V78-Q80 HydrophobicContact CG2-CB 4.46Å; V78-Q80 PolarHBondContact O-N 2.84Å; V78-Q80 VanDerWaalsContact O-N 3.17Å; Q80-K84 WeakPolarHBondContact O-CG 3.48Å
81	V	94.1	Very high	94.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-79.3	-47.7	178.8	171.2	0	0	0	0	110.9	F49 P51 I73 Q76 V78 P79 H83 K84 I85 I88	F49-V81 VanDerWaalsContact O-CG2 3.25Å; F49-V81 WeakPolarHBondContact O-CG2 3.22Å; P51-V81 HydrophobicContact CG-CG2 4.22Å; I73-V81 HydrophobicContact CG2-CG1 4.23Å; I73-V81 HydrophobicContact CG2-CG2 4.17Å; I73-V81 WeakPolarHBondContact O-CG1 3.41Å; Q76-V81 HydrophobicContact CB-CG2 4.33Å; V78-V81 HydrophobicContact CG2-CB 3.96Å; V78-V81 HydrophobicContact CG2-CG2 3.65Å; V78-V81 PolarHBondContact O-N 2.81Å; V78-V81 VanDerWaalsContact O-N 3.09Å; P79-V81 VanDerWaalsContact C-N 3.26Å; P79-V81 PolarHBondContact O-N 3.36Å; V81-H83 PolarHBondContact O-N 2.97Å; V81-K84 CarbonylContact O-C 3.57Å; V81-K84 PolarHBondContact O-N 3.02Å; V81-I85 PolarHBondContact O-N 3.22Å; V81-I88 HydrophobicContact CG1-CD1 3.9Å
82	Q	93.8	Very high	94.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.2	-32.2	-172.8	-54.3	-58.1	-76	0	0	112.1	I74 Q76 W77 V78 P79 K84 I85 A117 V122	I74-Q82 PolarHBondContact O-NE2 3.25Å; I74-Q82 VanDerWaalsContact O-NE2 3.08Å; Q76-Q82 PolarHBondContact O-NE2 3.11Å; W77-Q82 HydrophobicContact CE3-CG 3.55Å; W77-Q82 HydrophobicContact CZ3-CG 3.74Å; W77-Q82 VanDerWaalsContact CZ3-OE1 3.31Å; V78-Q82 PolarHBondContact O-N 2.92Å; V78-Q82 VanDerWaalsContact O-N 3.14Å; P79-Q82 PolarHBondContact O-N 3.23Å; Q82-K84 PolarHBondContact O-N 3.34Å; Q82-I85 WeakPolarHBondContact O-CB 3.36Å; Q82-I85 WeakPolarHBondContact O-CG2 3.33Å; Q82-I85 PolarHBondContact O-N 3.23Å; Q82-A117 HydrophobicContact CB-CB 4.17Å; Q82-V122 WeakPolarHBondContact CB-O 3.26Å; Q82-V122 HydrophobicContact CG-CG1 4.27Å
83	H	94.8	Very high	94.3	Very high	85 Å²	85	26.5 Å²	26.5	39%	0.394	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.4	171.9	-70.7	-150.5	0	0	0	113.3	P79 V81 V122 D124	P79-H83 VanDerWaalsContact O-CB 3.24Å; P79-H83 WeakPolarHBondContact O-CB 3.14Å; P79-H83 PolarHBondContact O-CD2 3.5Å; P79-H83 VanDerWaalsContact O-CG 3.23Å; P79-H83 PolarHBondContact O-N 2.83Å; V81-H83 PolarHBondContact O-N 2.97Å; H83-V122 PolarHBondContact CD2-O 2.95Å; H83-V122 VanDerWaalsContact CD2-O 3.26Å; H83-V122 PolarHBondContact NE2-O 3.01Å; H83-D124 HydrophobicContact CB-CB 4.38Å
84	K	96.3	Very high	94.3	Very high	71 Å²	71	32.7 Å²	32.7	31%	0.309	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	20.1	-179.3	-61.1	-68.3	-171.2	176.1	0	111.8	P51 N52 Q80 V81 Q82 D86 L87 I88	P51-K84 HydrophobicContact CB-CB 4.14Å; P51-K84 HydrophobicContact CB-CG 4.09Å; P51-K84 HydrophobicContact CG-CB 4.19Å; P51-K84 HydrophobicContact CG-CG 4.41Å; N52-K84 WeakPolarHBondContact OD1-CE 3.36Å; Q80-K84 WeakPolarHBondContact O-CG 3.48Å; V81-K84 CarbonylContact O-C 3.57Å; V81-K84 PolarHBondContact O-N 3.02Å; Q82-K84 PolarHBondContact O-N 3.34Å; K84-D86 PolarHBondContact O-N 3.46Å; K84-L87 PolarHBondContact O-N 3Å; K84-L87 VanDerWaalsContact O-N 3.16Å; K84-I88 HydrophobicContact CB-CD1 4.33Å; K84-I88 WeakPolarHBondContact O-CG1 3.21Å; K84-I88 PolarHBondContact O-N 2.95Å
85	I	97.3	Very high	94.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.1	-35.8	-176.9	-170.2	65.9	0	0	0	112.4	I74 V81 Q82 G89 A117 A127 A128 L131	I74-I85 HydrophobicContact CB-CD1 4.41Å; I74-I85 HydrophobicContact CD1-CD1 3.91Å; I74-I85 HydrophobicContact CG1-CD1 4.04Å; I74-I85 HydrophobicContact CG2-CD1 3.6Å; V81-I85 PolarHBondContact O-N 3.22Å; Q82-I85 WeakPolarHBondContact O-CB 3.36Å; Q82-I85 WeakPolarHBondContact O-CG2 3.33Å; Q82-I85 PolarHBondContact O-N 3.23Å; I85-G89 WeakPolarHBondContact O-CA 3.47Å; I85-G89 PolarHBondContact O-N 3.39Å; I85-A117 HydrophobicContact CB-CB 3.58Å; I85-A117 HydrophobicContact CD1-CB 4.05Å; I85-A117 HydrophobicContact CG1-CB 3.56Å; I85-A117 HydrophobicContact CG2-CB 3.67Å; I85-A127 HydrophobicContact CG2-CB 3.83Å; I85-A128 HydrophobicContact CG2-CB 4.47Å; I85-L131 HydrophobicContact CG1-CD2 3.85Å; I85-L131 WeakPolarHBondContact O-CD2 3.49Å
86	D	97.3	Very high	94.2	Very high	24 Å²	24	33.5 Å²	33.5	13%	0.128	16%	0.163	C	C	.	.	H	α-helix	trans	-71.3	-41.4	178.1	62.3	-23.8	0	0	0	112.7	K84 N90 A127 R130 L131	K84-D86 PolarHBondContact O-N 3.46Å; D86-N90 WeakPolarHBondContact O-CB 3.1Å; D86-N90 VanDerWaalsContact O-CG 3.27Å; D86-N90 PolarHBondContact O-N 3.44Å; D86-N90 PolarHBondContact O-ND2 3.33Å; D86-A127 HydrophobicContact CB-CB 4.26Å; D86-R130 IonicContact OD1-NH2 3.77Å; D86-R130 IonicContact OD2-CZ 3.79Å; D86-R130 IonicContact OD2-NE 3.69Å; D86-R130 PolarHBondContact OD2-NE 3.35Å; D86-R130 IonicContact OD2-NH2 3.67Å; D86-R130 PolarHBondContact OD2-NH2 3.47Å; D86-L131 HydrophobicContact CB-CB 4.12Å
87	L	97.4	Very high	94.4	Very high	54 Å²	54	32.1 Å²	32.1	28%	0.283	16%	0.157	S	C	.	.	H	α-helix	trans	-59.2	-52	172.4	177.6	63.9	0	0	0	110.9	L57 L60 K84 N90 E91	L57-L87 HydrophobicContact CD1-CD2 4.23Å; L60-L87 HydrophobicContact CD2-CD2 3.81Å; L60-L87 HydrophobicContact CD2-CG 4.07Å; K84-L87 PolarHBondContact O-N 3Å; K84-L87 VanDerWaalsContact O-N 3.16Å; L87-N90 PolarHBondContact O-N 2.87Å; L87-E91 PolarHBondContact O-N 2.89Å
88	I	97.9	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-39.8	-176.7	-50.8	155.6	0	0	0	110.6	P51 L60 L70 I73 I74 V81 K84 N90 E91 I92	P51-I88 HydrophobicContact CG-CD1 4.1Å; L60-I88 HydrophobicContact CD1-CB 4.27Å; L60-I88 HydrophobicContact CD1-CG1 3.99Å; L60-I88 HydrophobicContact CD1-CG2 3.9Å; L60-I88 HydrophobicContact CD2-CG1 3.94Å; L70-I88 HydrophobicContact CB-CG2 4.48Å; I73-I88 HydrophobicContact CG2-CD1 3.97Å; I74-I88 HydrophobicContact CD1-CB 4.1Å; I74-I88 HydrophobicContact CD1-CG2 3.75Å; I74-I88 HydrophobicContact CG1-CB 3.98Å; I74-I88 HydrophobicContact CG1-CD1 4.36Å; I74-I88 HydrophobicContact CG1-CG2 3.5Å; V81-I88 HydrophobicContact CG1-CD1 3.9Å; K84-I88 HydrophobicContact CB-CD1 4.33Å; K84-I88 WeakPolarHBondContact O-CG1 3.21Å; K84-I88 PolarHBondContact O-N 2.95Å; I88-N90 PolarHBondContact O-N 2.81Å; I88-E91 PolarHBondContact O-N 3.33Å; I88-I92 HydrophobicContact CG2-CD1 4.42Å; I88-I92 WeakPolarHBondContact O-CG1 3.37Å; I88-I92 PolarHBondContact O-N 2.76Å
89	G	97.4	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-40.2	174.7	0	0	0	0	0	112.9	I85 I92 L93	I85-G89 WeakPolarHBondContact O-CA 3.47Å; I85-G89 PolarHBondContact O-N 3.39Å; G89-I92 PolarHBondContact O-N 3.01Å; G89-L93 WeakPolarHBondContact O-CG 3.32Å; G89-L93 PolarHBondContact O-N 2.75Å
90	N	97.3	Very high	95.6	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	14%	0.144	S	C	.	.	H	α-helix	trans	-64.7	-43.3	173.7	-83.8	-49.6	0	0	0	112.3	D86 L87 I88 I92 L93 K94 Q134	D86-N90 WeakPolarHBondContact O-CB 3.1Å; D86-N90 VanDerWaalsContact O-CG 3.27Å; D86-N90 PolarHBondContact O-N 3.44Å; D86-N90 PolarHBondContact O-ND2 3.33Å; L87-N90 PolarHBondContact O-N 2.87Å; I88-N90 PolarHBondContact O-N 2.81Å; N90-I92 VanDerWaalsContact C-N 3.27Å; N90-I92 PolarHBondContact O-N 3.33Å; N90-L93 PolarHBondContact O-N 2.72Å; N90-K94 VanDerWaalsContact O-CB 3.22Å; N90-K94 WeakPolarHBondContact O-CB 3.46Å; N90-K94 PolarHBondContact O-N 2.85Å; N90-Q134 VanDerWaalsContact OD1-CD 3.31Å; N90-Q134 PolarHBondContact OD1-NE2 3.01Å; N90-Q134 PolarHBondContact OD1-OE1 3.31Å; N90-Q134 VanDerWaalsContact OD1-OE1 3.09Å
91	E	97.5	Very high	95.9	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-30.9	175.7	-78.3	-57.3	130.3	0	0	112.5	L60 L61 L70 L87 I88 K94 R95	L60-E91 HydrophobicContact CD1-CB 4.47Å; L61-E91 HydrophobicContact CD2-CG 4.1Å; L70-E91 HydrophobicContact CD1-CB 4.45Å; L87-E91 PolarHBondContact O-N 2.89Å; I88-E91 PolarHBondContact O-N 3.33Å; E91-K94 VanDerWaalsContact CD-NZ 3.31Å; E91-K94 VanDerWaalsContact OE1-CD 3.26Å; E91-K94 WeakPolarHBondContact OE1-CD 3.39Å; E91-K94 IonicContact OE1-NZ 3.84Å; E91-K94 PolarHBondContact OE1-NZ 2.96Å; E91-K94 IonicContact OE2-NZ 3.23Å; E91-K94 PolarHBondContact OE2-NZ 2.58Å; E91-K94 VanDerWaalsContact OE2-NZ 3.1Å; E91-R95 WeakPolarHBondContact O-CG 3.31Å; E91-R95 PolarHBondContact O-N 2.86Å; E91-R95 PolarHBondContact O-NH1 3.42Å; E91-R95 IonicContact OE2-CZ 3.76Å; E91-R95 IonicContact OE2-NH1 2.64Å; E91-R95 PolarHBondContact OE2-NH1 3.5Å; E91-R95 IonicContact OE2-NH2 3.9Å
92	I	96.7	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.9	-49.7	169.4	-70.8	169.5	0	0	0	111.4	I67 L70 I74 I88 G89 N90 K94 R95 C97 L110	I67-I92 HydrophobicContact CG2-CG2 4.01Å; L70-I92 HydrophobicContact CB-CD1 3.7Å; L70-I92 HydrophobicContact CB-CG1 3.37Å; L70-I92 HydrophobicContact CD1-CB 4.41Å; L70-I92 HydrophobicContact CD1-CG1 3.55Å; L70-I92 HydrophobicContact CG-CG1 4.11Å; I74-I92 HydrophobicContact CD1-CD1 3.45Å; I74-I92 VanDerWaalsContact CD1-CD1 3.45Å; I74-I92 HydrophobicContact CG1-CD1 4.4Å; I88-I92 HydrophobicContact CG2-CD1 4.42Å; I88-I92 WeakPolarHBondContact O-CG1 3.37Å; I88-I92 PolarHBondContact O-N 2.76Å; G89-I92 PolarHBondContact O-N 3.01Å; N90-I92 VanDerWaalsContact C-N 3.27Å; N90-I92 PolarHBondContact O-N 3.33Å; I92-K94 PolarHBondContact O-N 2.96Å; I92-R95 PolarHBondContact O-N 2.9Å; I92-C97 HydrophobicContact CG2-CB 3.36Å; I92-C97 WeakPolarHBondContact CG2-SG 3.47Å; I92-C97 WeakPolarHBondContact O-CB 3.34Å; I92-C97 PolarHBondContact O-N 3.26Å; I92-L110 HydrophobicContact CB-CD1 4.4Å; I92-L110 HydrophobicContact CB-CD2 4.48Å; I92-L110 HydrophobicContact CD1-CD2 3.69Å; I92-L110 HydrophobicContact CG2-CD1 3.87Å; I92-L110 HydrophobicContact CG2-CD2 4.21Å; I92-L110 HydrophobicContact CG2-CG 4.46Å
93	L	95.6	Very high	96	Very high	27 Å²	27	30.3 Å²	30.3	14%	0.141	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-42.5	-180	-68.7	172.4	0	0	0	112	G89 N90 R95 G96 V99 L110 L135 L138	G89-L93 WeakPolarHBondContact O-CG 3.32Å; G89-L93 PolarHBondContact O-N 2.75Å; N90-L93 PolarHBondContact O-N 2.72Å; L93-R95 PolarHBondContact O-N 3.02Å; L93-G96 PolarHBondContact O-N 3.19Å; L93-V99 HydrophobicContact CD2-CG1 3.89Å; L93-L110 HydrophobicContact CD2-CD1 3.96Å; L93-L110 HydrophobicContact CG-CD1 4.13Å; L93-L135 HydrophobicContact CD1-CD2 4.04Å; L93-L135 HydrophobicContact CD2-CD2 4.11Å; L93-L138 HydrophobicContact CD1-CD1 4.18Å
94	K	94.9	Very high	95.8	Very high	130 Å²	130	27.7 Å²	27.7	57%	0.565	14%	0.138	S	C	*	.	H	α-helix	trans	-58.4	-28.8	177	-177.9	-173.6	174.7	-162	0	113.4	N90 E91 I92 G96	N90-K94 VanDerWaalsContact O-CB 3.22Å; N90-K94 WeakPolarHBondContact O-CB 3.46Å; N90-K94 PolarHBondContact O-N 2.85Å; E91-K94 VanDerWaalsContact CD-NZ 3.31Å; E91-K94 VanDerWaalsContact OE1-CD 3.26Å; E91-K94 WeakPolarHBondContact OE1-CD 3.39Å; E91-K94 IonicContact OE1-NZ 3.84Å; E91-K94 PolarHBondContact OE1-NZ 2.96Å; E91-K94 IonicContact OE2-NZ 3.23Å; E91-K94 PolarHBondContact OE2-NZ 2.58Å; E91-K94 VanDerWaalsContact OE2-NZ 3.1Å; I92-K94 PolarHBondContact O-N 2.96Å; K94-G96 PolarHBondContact O-N 3.36Å
95	R	94.1	Very high	95.4	Very high	40 Å²	40	25 Å²	25	15%	0.151	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	14.8	174.2	-70.2	170.3	177.8	75	-10.1	113.6	L60 D62 T65 I67 E91 I92 L93	L60-R95 PolarHBondContact O-NH2 3.14Å; D62-R95 PolarHBondContact O-NH2 2.96Å; T65-R95 WeakPolarHBondContact O-CD 3.32Å; T65-R95 PolarHBondContact O-NE 2.66Å; I67-R95 HydrophobicContact CD1-CB 4.12Å; I67-R95 HydrophobicContact CG1-CB 3.89Å; E91-R95 WeakPolarHBondContact O-CG 3.31Å; E91-R95 PolarHBondContact O-N 2.86Å; E91-R95 PolarHBondContact O-NH1 3.42Å; E91-R95 IonicContact OE2-CZ 3.76Å; E91-R95 IonicContact OE2-NH1 2.64Å; E91-R95 PolarHBondContact OE2-NH1 3.5Å; E91-R95 IonicContact OE2-NH2 3.9Å; I92-R95 PolarHBondContact O-N 2.9Å; L93-R95 PolarHBondContact O-N 3.02Å
96	G	92	Very high	94.9	Very high	5 Å²	5	25.6 Å²	25.6	5%	0.052	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	17	177.6	0	0	0	0	0	114.5	L93 K94	L93-G96 PolarHBondContact O-N 3.19Å; K94-G96 PolarHBondContact O-N 3.36Å
97	C	94.1	Very high	94.7	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.034	13%	0.125	C	C	.	.			trans	-64.2	131.9	171.8	-168.2	0	0	0	0	110.1	I67 I92 D101	I67-C97 HydrophobicContact CD1-CB 3.75Å; I67-C97 HydrophobicContact CG1-CB 4.28Å; I67-C97 HydrophobicContact CG2-CB 4.35Å; I92-C97 HydrophobicContact CG2-CB 3.36Å; I92-C97 WeakPolarHBondContact CG2-SG 3.47Å; I92-C97 WeakPolarHBondContact O-CB 3.34Å; I92-C97 PolarHBondContact O-N 3.26Å; C97-D101 PolarHBondContact SG-OD2 2.89Å
98	H	96.1	Very high	94.6	Very high	36 Å²	36	22.1 Å²	22.1	17%	0.167	11%	0.112	C	C	.	.			trans	-80.4	140.9	175.1	174.8	-101.1	0	0	0	109.4	R27 P30 N100 D101	R27-H98 HydrophobicContact CB-CB 4.43Å; R27-H98 WeakPolarHBondContact O-CB 2.97Å; R27-H98 PolarHBondContact O-CD2 3.33Å; P30-H98 WeakPolarHBondContact CA-ND1 3.47Å; P30-H98 WeakPolarHBondContact CB-ND1 3.48Å; H98-N100 PolarHBondContact ND1-N 2.92Å; H98-N100 PolarHBondContact O-N 3.03Å; H98-D101 PolarHBondContact N-OD2 2.94Å; H98-D101 WeakPolarHBondContact O-CB 3.47Å; H98-D101 PolarHBondContact O-N 3.31Å
99	V	95.6	Very high	94.5	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.067	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.4	-172.7	-65.4	0	0	0	0	115.3	L93 L135 L138 A140	L93-V99 HydrophobicContact CD2-CG1 3.89Å; V99-L135 HydrophobicContact CB-CD2 4.27Å; V99-L135 HydrophobicContact CG1-CD2 4.09Å; V99-L138 HydrophobicContact CG1-CB 3.59Å; V99-L138 HydrophobicContact CG1-CD1 4.2Å; V99-A140 HydrophobicContact CB-CB 4.26Å; V99-A140 HydrophobicContact CG2-CB 4.37Å
100	N	96.6	Very high	94.5	Very high	19 Å²	19	22.2 Å²	22.2	10%	0.102	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12.6	177.9	-64.4	-47.2	0	0	0	113.7	P30 H98 G139 A140 D141 L144	P30-N100 HydrophobicContact CB-CB 4.13Å; P30-N100 WeakPolarHBondContact CB-O 3.43Å; H98-N100 PolarHBondContact ND1-N 2.92Å; H98-N100 PolarHBondContact O-N 3.03Å; N100-G139 PolarHBondContact ND2-O 3.42Å; N100-G139 VanDerWaalsContact ND2-O 3.09Å; N100-A140 WeakPolarHBondContact OD1-CA 3.47Å; N100-D141 PolarHBondContact OD1-N 3.49Å; N100-L144 HydrophobicContact CB-CD1 3.68Å; N100-L144 WeakPolarHBondContact OD1-CD1 3.25Å
101	D	96.9	Very high	94.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.099	C	C	.	.			trans	-61.6	155.4	167	-76.9	-16.2	0	0	0	111.2	R27 P30 M31 H33 C97 H98 T109	R27-D101 IonicContact CZ-OD1 2.71Å; R27-D101 IonicContact CZ-OD2 3.83Å; R27-D101 IonicContact NH1-OD1 3.73Å; R27-D101 PolarHBondContact NH1-OD1 3.02Å; R27-D101 IonicContact NH1-OD2 2.94Å; R27-D101 PolarHBondContact NH1-OD2 2.97Å; R27-D101 IonicContact NH2-OD1 3.38Å; R27-D101 IonicContact NH2-OD2 3.19Å; R27-D101 PolarHBondContact NH2-OD2 3.45Å; P30-D101 WeakPolarHBondContact CA-OD1 3.4Å; M31-D101 PolarHBondContact N-OD1 2.92Å; M31-D101 VanDerWaalsContact O-CA 3.28Å; M31-D101 WeakPolarHBondContact O-CA 3.22Å; H33-D101 IonicContact CD2-OD2 3.37Å; H33-D101 IonicContact CE1-OD2 2.69Å; H33-D101 IonicContact NE2-OD2 3.77Å; H33-D101 PolarHBondContact NE2-OD2 3.26Å; C97-D101 PolarHBondContact SG-OD2 2.89Å; H98-D101 PolarHBondContact N-OD2 2.94Å; H98-D101 WeakPolarHBondContact O-CB 3.47Å; H98-D101 PolarHBondContact O-N 3.31Å; D101-T109 VanDerWaalsContact O-CA 3.31Å; D101-T109 WeakPolarHBondContact O-CA 3.42Å; D101-T109 WeakPolarHBondContact O-CB 3.49Å; D101-T109 WeakPolarHBondContact O-CG2 3.5Å
102	R	95.8	Very high	94.5	Very high	57 Å²	57	19 Å²	19	22%	0.215	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-121.1	143.3	-178.7	-57.2	-179.7	-171.3	-151.4	-2.7	111.7	M31 V32 H33 D107 M108 T109 R145	M31-R102 PolarHBondContact O-N 3.5Å; V32-R102 HydrophobicContact CG1-CB 4.36Å; V32-R102 HydrophobicContact CG2-CB 4.25Å; H33-R102 PolarHBondContact N-O 3.18Å; R102-D107 WeakPolarHBondContact CD-O 3.14Å; R102-D107 IonicContact CZ-OD2 3.77Å; R102-D107 IonicContact NH1-OD1 3.22Å; R102-D107 IonicContact NH1-OD2 3.36Å; R102-D107 PolarHBondContact NH1-OD2 3.29Å; R102-M108 WeakPolarHBondContact CA-O 3.23Å; R102-T109 HydrophobicContact CG-CG2 4.01Å; R102-R145 PolarHBondContact NH1-O 2.92Å
103	D	94.4	Very high	94.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.			trans	-64.8	133.3	162.6	163.1	49.9	0	0	0	110.3	F71 R75 L105 T106 D107 M108 Y113	F71-D103 HydrophobicContact CB-CB 4.21Å; F71-D103 HydrophobicContact CD1-CB 3.79Å; F71-D103 HydrophobicContact CE1-CB 4.24Å; F71-D103 HydrophobicContact CG-CB 3.95Å; R75-D103 WeakPolarHBondContact CD-OD2 3.45Å; R75-D103 IonicContact CZ-OD1 3.16Å; R75-D103 IonicContact NH1-OD1 2.72Å; R75-D103 PolarHBondContact NH1-OD1 3.28Å; R75-D103 IonicContact NH1-OD2 3.88Å; D103-L105 VanDerWaalsContact C-N 3.3Å; D103-L105 PolarHBondContact O-N 3.44Å; D103-L105 PolarHBondContact OD1-N 2.97Å; D103-T106 VanDerWaalsContact OD2-CB 3.32Å; D103-T106 WeakPolarHBondContact OD2-CB 3.38Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.34Å; D103-T106 PolarHBondContact OD2-N 2.98Å; D103-T106 PolarHBondContact OD2-OG1 3.43Å; D103-D107 WeakPolarHBondContact O-CA 3.37Å; D103-D107 PolarHBondContact O-N 3.21Å; D103-M108 PolarHBondContact N-O 3.43Å; D103-Y113 HydrophobicContact CB-CE2 4.06Å; D103-Y113 PolarHBondContact OD2-OH 2.82Å
104	G	90.4	Very high	94.6	Very high	30 Å²	30	17.7 Å²	17.7	31%	0.309	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.4	-177.6	0	0	0	0	0	115.2	H33	H33-G104 WeakPolarHBondContact O-CA 3.33Å; H33-G104 PolarHBondContact O-N 2.78Å
105	L	87.8	Confident	94.6	Very high	14 Å²	14	11.5 Å²	11.5	7%	0.073	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-49.5	179.7	-173	60.9	0	0	0	111.4	D103 W148 A557 E558	D103-L105 VanDerWaalsContact C-N 3.3Å; D103-L105 PolarHBondContact O-N 3.44Å; D103-L105 PolarHBondContact OD1-N 2.97Å; L105-W148 PolarHBondContact O-NE1 2.98Å; L105-A557 HydrophobicContact CD1-CB 4.41Å; L105-A557 HydrophobicContact CG-CB 4.44Å; L105-E558 HydrophobicContact CD2-CG 4.27Å
106	T	88	Confident	94.5	Very high	12 Å²	12	9.6 Å²	9.6	7%	0.074	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.7	-173.1	63.3	0	0	0	0	114.7	D103 M108 Y113 S146 W148	D103-T106 VanDerWaalsContact OD2-CB 3.32Å; D103-T106 WeakPolarHBondContact OD2-CB 3.38Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.34Å; D103-T106 PolarHBondContact OD2-N 2.98Å; D103-T106 PolarHBondContact OD2-OG1 3.43Å; T106-M108 PolarHBondContact O-N 2.93Å; T106-M108 WeakPolarHBondContact OG1-CB 3.43Å; T106-M108 PolarHBondContact OG1-N 3.42Å; T106-Y113 PolarHBondContact OG1-OH 2.95Å; T106-S146 PolarHBondContact O-OG 2.9Å; T106-W148 VanDerWaalsContact C-CD1 3.49Å
107	D	92.4	Very high	94.7	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.016	5%	0.052	C	C	.	.			trans	54.9	16.9	-171.8	-161.1	85.4	0	0	0	113.2	R102 D103 R147	R102-D107 WeakPolarHBondContact CD-O 3.14Å; R102-D107 IonicContact CZ-OD2 3.77Å; R102-D107 IonicContact NH1-OD1 3.22Å; R102-D107 IonicContact NH1-OD2 3.36Å; R102-D107 PolarHBondContact NH1-OD2 3.29Å; D103-D107 WeakPolarHBondContact O-CA 3.37Å; D103-D107 PolarHBondContact O-N 3.21Å; D107-R147 HydrophobicContact CB-CB 3.85Å; D107-R147 VanDerWaalsContact CG-CB 3.5Å; D107-R147 IonicContact OD1-CZ 3.44Å; D107-R147 IonicContact OD1-NE 3.7Å; D107-R147 PolarHBondContact OD1-NE 3.48Å; D107-R147 IonicContact OD1-NH2 2.66Å; D107-R147 PolarHBondContact OD1-NH2 3.06Å; D107-R147 VanDerWaalsContact OD2-CB 3.25Å; D107-R147 WeakPolarHBondContact OD2-CB 3.06Å; D107-R147 PolarHBondContact OD2-N 3.36Å
108	M	94.6	Very high	94.6	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	5%	0.052	C	C	.	.			trans	-85	141.6	178.5	-73.8	171.4	67.7	0	0	111.6	R102 D103 T106 H112 Y113 Y156 W550	R102-M108 WeakPolarHBondContact CA-O 3.23Å; D103-M108 PolarHBondContact N-O 3.43Å; T106-M108 PolarHBondContact O-N 2.93Å; T106-M108 WeakPolarHBondContact OG1-CB 3.43Å; T106-M108 PolarHBondContact OG1-N 3.42Å; M108-H112 HydrophobicContact CB-CB 3.88Å; M108-H112 HydrophobicContact CE-CB 3.59Å; M108-H112 HydrophobicContact CG-CB 3.99Å; M108-Y113 HydrophobicContact CB-CD2 4.17Å; M108-Y113 HydrophobicContact CB-CE2 3.73Å; M108-Y113 HydrophobicContact CE-CD1 3.89Å; M108-Y113 HydrophobicContact CE-CE1 4.05Å; M108-Y113 HydrophobicContact CE-CG 4.25Å; M108-Y113 HydrophobicContact SD-CE1 4.28Å; M108-Y156 HydrophobicContact CE-CD1 4.31Å; M108-Y156 HydrophobicContact CE-CE1 3.91Å; M108-Y156 HydrophobicContact SD-CE1 4.18Å; M108-W550 HydrophobicContact CE-CH2 4.12Å; M108-W550 HydrophobicContact CE-CZ3 4.33Å; M108-W550 HydrophobicContact SD-CH2 3.65Å; M108-W550 HydrophobicContact SD-CZ3 4.03Å
109	T	97.1	Very high	94.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.044	C	C	.	.			trans	-85.8	167.8	168.7	73.4	0	0	0	0	111.3	D101 R102 L111 H112 Y113 L144	D101-T109 VanDerWaalsContact O-CA 3.31Å; D101-T109 WeakPolarHBondContact O-CA 3.42Å; D101-T109 WeakPolarHBondContact O-CB 3.49Å; D101-T109 WeakPolarHBondContact O-CG2 3.5Å; R102-T109 HydrophobicContact CG-CG2 4.01Å; T109-L111 PolarHBondContact O-N 2.97Å; T109-L111 VanDerWaalsContact O-N 3.15Å; T109-L111 PolarHBondContact OG1-N 2.92Å; T109-H112 PolarHBondContact N-ND1 3.15Å; T109-H112 WeakPolarHBondContact O-CB 3.34Å; T109-H112 PolarHBondContact O-N 3.22Å; T109-H112 PolarHBondContact OG1-ND1 2.91Å; T109-Y113 WeakPolarHBondContact O-CD2 3.46Å; T109-Y113 PolarHBondContact O-N 2.83Å; T109-L144 HydrophobicContact CG2-CD1 4.06Å
110	L	97.4	Very high	93.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-53.5	-33.9	173.5	-68.8	175.9	0	0	0	113.2	F71 I74 I92 L93 H112 Y113 S114 L135	F71-L110 HydrophobicContact CD1-CD2 4.49Å; F71-L110 HydrophobicContact CE1-CD2 3.72Å; F71-L110 HydrophobicContact CE1-CG 4.19Å; F71-L110 HydrophobicContact CZ-CD2 4.13Å; F71-L110 HydrophobicContact CZ-CG 4.26Å; I74-L110 HydrophobicContact CD1-CD2 4.03Å; I92-L110 HydrophobicContact CB-CD1 4.4Å; I92-L110 HydrophobicContact CB-CD2 4.48Å; I92-L110 HydrophobicContact CD1-CD2 3.69Å; I92-L110 HydrophobicContact CG2-CD1 3.87Å; I92-L110 HydrophobicContact CG2-CD2 4.21Å; I92-L110 HydrophobicContact CG2-CG 4.46Å; L93-L110 HydrophobicContact CD2-CD1 3.96Å; L93-L110 HydrophobicContact CG-CD1 4.13Å; L110-H112 VanDerWaalsContact C-N 3.33Å; L110-H112 PolarHBondContact O-N 2.78Å; L110-Y113 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-N 3.08Å; L110-L135 HydrophobicContact CB-CD1 3.68Å; L110-L135 HydrophobicContact CB-CD2 3.97Å; L110-L135 HydrophobicContact CD1-CD2 3.98Å
111	L	97.6	Very high	93.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.9	-30.6	178.1	-173.5	67.1	0	0	0	112.5	T109 S114 C115 L135 I136 A140 V142 A153 L169	T109-L111 PolarHBondContact O-N 2.97Å; T109-L111 VanDerWaalsContact O-N 3.15Å; T109-L111 PolarHBondContact OG1-N 2.92Å; L111-S114 WeakPolarHBondContact CA-OG 3.44Å; L111-S114 PolarHBondContact O-OG 3.34Å; L111-C115 PolarHBondContact O-N 3.13Å; L111-C115 PolarHBondContact O-SG 2.98Å; L111-L135 HydrophobicContact CB-CD1 4.16Å; L111-L135 HydrophobicContact CD1-CB 4.46Å; L111-L135 HydrophobicContact CD1-CD1 4.38Å; L111-I136 HydrophobicContact CD1-CG1 4.4Å; L111-A140 HydrophobicContact CD2-CB 4.19Å; L111-V142 HydrophobicContact CD2-CB 4.44Å; L111-V142 HydrophobicContact CD2-CG1 3.98Å; L111-A153 HydrophobicContact CD2-CB 3.93Å; L111-A153 HydrophobicContact CG-CB 3.93Å; L111-L169 HydrophobicContact CD1-CD2 4.14Å; L111-L169 HydrophobicContact CD2-CD2 3.93Å; L111-L169 HydrophobicContact CG-CD2 4.21Å
112	H	96.4	Very high	92.5	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-71.1	-38.3	172.4	-64.5	83.2	0	0	0	110.8	M108 T109 L110 C115 K116 L144 M151 A153 Y156	M108-H112 HydrophobicContact CB-CB 3.88Å; M108-H112 HydrophobicContact CE-CB 3.59Å; M108-H112 HydrophobicContact CG-CB 3.99Å; T109-H112 PolarHBondContact N-ND1 3.15Å; T109-H112 WeakPolarHBondContact O-CB 3.34Å; T109-H112 PolarHBondContact O-N 3.22Å; T109-H112 PolarHBondContact OG1-ND1 2.91Å; L110-H112 VanDerWaalsContact C-N 3.33Å; L110-H112 PolarHBondContact O-N 2.78Å; H112-C115 WeakPolarHBondContact O-CB 3.07Å; H112-C115 PolarHBondContact O-N 2.83Å; H112-K116 PolarHBondContact O-N 2.78Å; H112-K116 VanDerWaalsContact O-N 3.11Å; H112-L144 PolarHBondContact CE1-O 3.08Å; H112-L144 PolarHBondContact NE2-O 3.24Å; H112-L144 VanDerWaalsContact NE2-O 3.15Å; H112-M151 PolarHBondContact NE2-O 3.38Å; H112-A153 PolarHBondContact NE2-N 3.28Å; H112-Y156 AromaticContact CD2-CD2 3.57Å; H112-Y156 AromaticContact CD2-CE2 3.61Å
113	Y	96.7	Very high	92.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.4	-35.5	175.7	-74.9	-66.1	0	0	0	113.4	F71 I74 R75 D103 T106 M108 T109 L110 K116 A117	F71-Y113 HydrophobicContact CD1-CD2 4.25Å; F71-Y113 AromaticContact CD1-CE2 3.79Å; F71-Y113 HydrophobicContact CD1-CE2 3.79Å; F71-Y113 HydrophobicContact CE1-CD2 4.2Å; F71-Y113 HydrophobicContact CE1-CE2 4.01Å; I74-Y113 HydrophobicContact CG2-CD1 3.45Å; I74-Y113 VanDerWaalsContact CG2-CD1 3.45Å; I74-Y113 HydrophobicContact CG2-CD2 4Å; I74-Y113 HydrophobicContact CG2-CE1 4.02Å; I74-Y113 HydrophobicContact CG2-CG 3.41Å; I74-Y113 VanDerWaalsContact CG2-CG 3.41Å; R75-Y113 HydrophobicContact CG-CE1 4.11Å; R75-Y113 WeakPolarHBondContact CG-OH 3.08Å; D103-Y113 HydrophobicContact CB-CE2 4.06Å; D103-Y113 PolarHBondContact OD2-OH 2.82Å; T106-Y113 PolarHBondContact OG1-OH 2.95Å; M108-Y113 HydrophobicContact CB-CD2 4.17Å; M108-Y113 HydrophobicContact CB-CE2 3.73Å; M108-Y113 HydrophobicContact CE-CD1 3.89Å; M108-Y113 HydrophobicContact CE-CE1 4.05Å; M108-Y113 HydrophobicContact CE-CG 4.25Å; M108-Y113 HydrophobicContact SD-CE1 4.28Å; T109-Y113 WeakPolarHBondContact O-CD2 3.46Å; T109-Y113 PolarHBondContact O-N 2.83Å; L110-Y113 PolarHBondContact O-N 3.47Å; Y113-K116 PolarHBondContact O-N 2.87Å; Y113-A117 WeakPolarHBondContact O-CB 3.4Å; Y113-A117 PolarHBondContact O-N 3.07Å
114	S	97.1	Very high	92.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-39.8	172.9	69	0	0	0	0	111.4	L110 L111 K116 A117 G118 A128 S132 L165	L110-S114 PolarHBondContact O-N 3.08Å; L111-S114 WeakPolarHBondContact CA-OG 3.44Å; L111-S114 PolarHBondContact O-OG 3.34Å; S114-K116 VanDerWaalsContact C-N 3.31Å; S114-K116 PolarHBondContact O-N 3.33Å; S114-A117 PolarHBondContact O-N 2.85Å; S114-G118 PolarHBondContact O-N 3.25Å; S114-A128 VanDerWaalsContact O-CB 3.32Å; S114-A128 WeakPolarHBondContact O-CB 3.4Å; S114-S132 WeakPolarHBondContact CB-OG 3.22Å; S114-S132 PolarHBondContact OG-OG 3.21Å; S114-L165 WeakPolarHBondContact O-CD1 3.43Å
115	C	95.9	Very high	92.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.3	-43.6	171.8	-65.3	0	0	0	0	112.6	L111 H112 A153 A157	L111-C115 PolarHBondContact O-N 3.13Å; L111-C115 PolarHBondContact O-SG 2.98Å; H112-C115 WeakPolarHBondContact O-CB 3.07Å; H112-C115 PolarHBondContact O-N 2.83Å; C115-A153 PolarHBondContact SG-O 3.44Å; C115-A153 VanDerWaalsContact SG-O 3.41Å; C115-A157 HydrophobicContact CB-CB 4.27Å
116	K	92.4	Very high	92.6	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-46.3	173.9	167.2	169.6	166.2	-74.6	0	112.1	W77 H112 Y113 S114 G118 A119 F160 W550	W77-K116 HydrophobicContact CE3-CD 4.17Å; W77-K116 HydrophobicContact CE3-CG 3.82Å; W77-K116 VanDerWaalsContact CE3-NZ 3.31Å; W77-K116 HydrophobicContact CH2-CG 3.88Å; W77-K116 WeakPolarHBondContact CH2-O 3.28Å; W77-K116 HydrophobicContact CZ3-CD 4.14Å; W77-K116 HydrophobicContact CZ3-CG 3.29Å; W77-K116 VanDerWaalsContact CZ3-O 3.31Å; W77-K116 WeakPolarHBondContact CZ3-O 3.41Å; H112-K116 PolarHBondContact O-N 2.78Å; H112-K116 VanDerWaalsContact O-N 3.11Å; Y113-K116 PolarHBondContact O-N 2.87Å; S114-K116 VanDerWaalsContact C-N 3.31Å; S114-K116 PolarHBondContact O-N 3.33Å; K116-G118 PolarHBondContact O-N 2.62Å; K116-G118 VanDerWaalsContact O-N 3.13Å; K116-A119 PolarHBondContact O-N 3.38Å; K116-F160 HydrophobicContact CB-CD2 3.98Å; K116-F160 HydrophobicContact CB-CE2 3.6Å; K116-F160 HydrophobicContact CB-CZ 4.19Å; K116-F160 HydrophobicContact CD-CE2 4.23Å; K116-F160 HydrophobicContact CD-CZ 4.11Å; K116-F160 HydrophobicContact CG-CD2 4.43Å; K116-F160 HydrophobicContact CG-CE1 4.48Å; K116-F160 HydrophobicContact CG-CE2 3.77Å; K116-F160 HydrophobicContact CG-CZ 3.81Å; K116-W550 HydrophobicContact CD-CD2 4.23Å; K116-W550 HydrophobicContact CD-CE3 4.06Å; K116-W550 HydrophobicContact CD-CH2 3.73Å; K116-W550 HydrophobicContact CD-CZ2 3.9Å; K116-W550 HydrophobicContact CD-CZ3 3.8Å; K116-W550 VanDerWaalsContact CE-CE2 3.47Å
117	A	94.9	Very high	93	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-72	-1.1	-177.5	0	0	0	0	0	115.1	Q82 I85 Y113 S114 G123 D124	Q82-A117 HydrophobicContact CB-CB 4.17Å; I85-A117 HydrophobicContact CB-CB 3.58Å; I85-A117 HydrophobicContact CD1-CB 4.05Å; I85-A117 HydrophobicContact CG1-CB 3.56Å; I85-A117 HydrophobicContact CG2-CB 3.67Å; Y113-A117 WeakPolarHBondContact O-CB 3.4Å; Y113-A117 PolarHBondContact O-N 3.07Å; S114-A117 PolarHBondContact O-N 2.85Å; A117-G123 CarbonylContact O-C 3.58Å; A117-G123 WeakPolarHBondContact O-CA 3.46Å; A117-D124 PolarHBondContact O-N 3.23Å
118	G	93.2	Very high	93.2	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.021	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4	170.3	0	0	0	0	0	114.9	S114 K116 V162	S114-G118 PolarHBondContact O-N 3.25Å; K116-G118 PolarHBondContact O-N 2.62Å; K116-G118 VanDerWaalsContact O-N 3.13Å; G118-V162 VanDerWaalsContact C-CG2 3.46Å
119	A	90.1	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.114	C	C	.	.			trans	-64	137.2	-174.2	0	0	0	0	0	113.3	W77 K116 V122 G123 F160 L546	W77-A119 HydrophobicContact CH2-CB 3.61Å; W77-A119 HydrophobicContact CZ2-CB 4.07Å; K116-A119 PolarHBondContact O-N 3.38Å; A119-V122 PolarHBondContact O-N 2.87Å; A119-G123 WeakPolarHBondContact O-CA 3.48Å; A119-G123 PolarHBondContact O-N 3.41Å; A119-F160 HydrophobicContact CB-CB 3.86Å; A119-F160 HydrophobicContact CB-CD1 3.77Å; A119-F160 HydrophobicContact CB-CG 4.14Å; A119-L546 HydrophobicContact CB-CD1 4.46Å
120	H	84.9	Confident	93.3	Very high	133 Å²	133	24.1 Å²	24.1	62%	0.616	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	139.4	179.5	-167.9	81.1	0	0	0	113.1	V122 S543	H120-V122 PolarHBondContact O-N 3.09Å; H120-S543 PolarHBondContact O-OG 2.99Å; H120-S543 VanDerWaalsContact O-OG 3.07Å
121	G	81.6	Confident	93.4	Very high	42 Å²	42	24 Å²	24	43%	0.433	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-6.7	178.3	0	0	0	0	0	116.1
122	V	83.3	Confident	93.4	Very high	17 Å²	17	24 Å²	24	10%	0.103	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-31	174.2	-173.7	0	0	0	0	112.3	W77 P79 Q82 H83 A119 H120	W77-V122 HydrophobicContact CD2-CG1 3.86Å; W77-V122 HydrophobicContact CE3-CG1 4.03Å; W77-V122 HydrophobicContact CG-CG1 4.46Å; W77-V122 HydrophobicContact CH2-CB 4.26Å; W77-V122 HydrophobicContact CH2-CG1 4.22Å; W77-V122 HydrophobicContact CZ2-CB 3.99Å; W77-V122 HydrophobicContact CZ2-CG1 4Å; W77-V122 HydrophobicContact CZ2-CG2 4.25Å; W77-V122 HydrophobicContact CZ3-CG1 4.19Å; P79-V122 VanDerWaalsContact CA-O 3.3Å; P79-V122 WeakPolarHBondContact CA-O 3.28Å; P79-V122 HydrophobicContact CG-CG1 4.33Å; Q82-V122 WeakPolarHBondContact CB-O 3.26Å; Q82-V122 HydrophobicContact CG-CG1 4.27Å; H83-V122 PolarHBondContact CD2-O 2.95Å; H83-V122 VanDerWaalsContact CD2-O 3.26Å; H83-V122 PolarHBondContact NE2-O 3.01Å; A119-V122 PolarHBondContact O-N 2.87Å; H120-V122 PolarHBondContact O-N 3.09Å
123	G	90.4	Very high	93.4	Very high	9 Å²	9	27.6 Å²	27.6	9%	0.093	16%	0.155	C	C	.	.	S	Bend	trans	-108.9	173.4	-176.7	0	0	0	0	0	114.2	A117 A119	A117-G123 CarbonylContact O-C 3.58Å; A117-G123 WeakPolarHBondContact O-CA 3.46Å; A119-G123 WeakPolarHBondContact O-CA 3.48Å; A119-G123 PolarHBondContact O-N 3.41Å
124	D	92.8	Very high	93.5	Very high	44 Å²	44	30.7 Å²	30.7	24%	0.235	17%	0.17	C	C	.	.			trans	-111.5	106.3	165.8	173.7	17.8	0	0	0	109.3	H83 A117 A126 A127 A128 R130	H83-D124 HydrophobicContact CB-CB 4.38Å; A117-D124 PolarHBondContact O-N 3.23Å; D124-A126 PolarHBondContact O-N 3.35Å; D124-A126 WeakPolarHBondContact OD1-CA 3.33Å; D124-A126 VanDerWaalsContact OD1-CB 3.3Å; D124-A126 WeakPolarHBondContact OD1-CB 3.22Å; D124-A126 PolarHBondContact OD1-N 3.33Å; D124-A127 HydrophobicContact CB-CB 3.91Å; D124-A127 VanDerWaalsContact CG-N 3.32Å; D124-A127 PolarHBondContact O-N 3.04Å; D124-A127 VanDerWaalsContact OD2-CB 3.22Å; D124-A127 WeakPolarHBondContact OD2-CB 3.13Å; D124-A127 PolarHBondContact OD2-N 3.12Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 3.06Å; D124-R130 IonicContact OD2-NH2 2.72Å
125	P	92.5	Very high	93.5	Very high	43 Å²	43	30.7 Å²	30.7	28%	0.279	17%	0.17	S	C	.	.	H	α-helix	trans	-53.2	-33.4	173.7	-24.3	31.8	0	0	0	113.2	L129	P125-L129 VanDerWaalsContact O-CB 3.27Å; P125-L129 WeakPolarHBondContact O-CB 3.2Å; P125-L129 WeakPolarHBondContact O-CD1 3.06Å; P125-L129 WeakPolarHBondContact O-CG 3.36Å; P125-L129 PolarHBondContact O-N 2.81Å
126	A	95	Very high	93.5	Very high	45 Å²	45	32.6 Å²	32.6	37%	0.372	18%	0.179	S	C	.	.	H	α-helix	trans	-72.7	-44.6	-179.3	0	0	0	0	0	112	D124 L129 R130	D124-A126 PolarHBondContact O-N 3.35Å; D124-A126 WeakPolarHBondContact OD1-CA 3.33Å; D124-A126 VanDerWaalsContact OD1-CB 3.3Å; D124-A126 WeakPolarHBondContact OD1-CB 3.22Å; D124-A126 PolarHBondContact OD1-N 3.33Å; A126-L129 PolarHBondContact O-N 2.76Å; A126-R130 VanDerWaalsContact C-NH1 3.31Å; A126-R130 WeakPolarHBondContact O-CG 3.18Å; A126-R130 PolarHBondContact O-N 3.43Å; A126-R130 PolarHBondContact O-NH1 3.25Å
127	A	96.4	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-46.4	170.7	0	0	0	0	0	111.7	I85 D86 D124 L129 R130 L131	I85-A127 HydrophobicContact CG2-CB 3.83Å; D86-A127 HydrophobicContact CB-CB 4.26Å; D124-A127 HydrophobicContact CB-CB 3.91Å; D124-A127 VanDerWaalsContact CG-N 3.32Å; D124-A127 PolarHBondContact O-N 3.04Å; D124-A127 VanDerWaalsContact OD2-CB 3.22Å; D124-A127 WeakPolarHBondContact OD2-CB 3.13Å; D124-A127 PolarHBondContact OD2-N 3.12Å; A127-L129 VanDerWaalsContact C-N 3.31Å; A127-L129 PolarHBondContact O-N 2.87Å; A127-R130 VanDerWaalsContact CA-CZ 3.48Å; A127-R130 VanDerWaalsContact CA-NH2 3.29Å; A127-R130 PolarHBondContact O-N 3.41Å; A127-L131 PolarHBondContact O-N 2.84Å
128	A	97.4	Very high	93.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-40.9	177.1	0	0	0	0	0	112.3	I85 S114 D124 S132 L165	I85-A128 HydrophobicContact CG2-CB 4.47Å; S114-A128 VanDerWaalsContact O-CB 3.32Å; S114-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 3.06Å; A128-S132 WeakPolarHBondContact O-CB 3.35Å; A128-S132 PolarHBondContact O-N 3.47Å; A128-S132 PolarHBondContact O-OG 3.15Å; A128-L165 HydrophobicContact CB-CD1 3.99Å
129	L	96.5	Very high	93.7	Very high	41 Å²	41	44 Å²	44	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-44.8	173.7	-82.1	163	0	0	0	112.7	P125 A126 A127 S132 N133 E164 L165 I168	P125-L129 VanDerWaalsContact O-CB 3.27Å; P125-L129 WeakPolarHBondContact O-CB 3.2Å; P125-L129 WeakPolarHBondContact O-CD1 3.06Å; P125-L129 WeakPolarHBondContact O-CG 3.36Å; P125-L129 PolarHBondContact O-N 2.81Å; A126-L129 PolarHBondContact O-N 2.76Å; A127-L129 VanDerWaalsContact C-N 3.31Å; A127-L129 PolarHBondContact O-N 2.87Å; L129-S132 PolarHBondContact O-N 3.4Å; L129-N133 WeakPolarHBondContact O-CB 3.14Å; L129-N133 PolarHBondContact O-N 2.85Å; L129-N133 PolarHBondContact O-ND2 3.22Å; L129-E164 HydrophobicContact CD1-CB 3.75Å; L129-E164 HydrophobicContact CD1-CG 4.2Å; L129-E164 HydrophobicContact CD2-CB 3.88Å; L129-E164 HydrophobicContact CG-CB 4.15Å; L129-L165 HydrophobicContact CD2-CD2 3.78Å; L129-L165 HydrophobicContact CG-CD2 3.98Å; L129-I168 HydrophobicContact CD2-CD1 4Å; L129-I168 HydrophobicContact CD2-CG1 4.39Å; L129-I168 HydrophobicContact CD2-CG2 4.31Å
130	R	97.8	Very high	94	Very high	126 Å²	126	44.5 Å²	44.5	48%	0.475	26%	0.262	S	S	.	.	H	α-helix	trans	-56.7	-53.7	177.5	-74.3	-173.2	-58.9	-87.6	6.9	110.5	D86 D124 A126 A127 S132 Q134	D86-R130 IonicContact OD1-NH2 3.77Å; D86-R130 IonicContact OD2-CZ 3.79Å; D86-R130 IonicContact OD2-NE 3.69Å; D86-R130 PolarHBondContact OD2-NE 3.35Å; D86-R130 IonicContact OD2-NH2 3.67Å; D86-R130 PolarHBondContact OD2-NH2 3.47Å; D124-R130 IonicContact OD2-NH2 2.72Å; A126-R130 VanDerWaalsContact C-NH1 3.31Å; A126-R130 WeakPolarHBondContact O-CG 3.18Å; A126-R130 PolarHBondContact O-N 3.43Å; A126-R130 PolarHBondContact O-NH1 3.25Å; A127-R130 VanDerWaalsContact CA-CZ 3.48Å; A127-R130 VanDerWaalsContact CA-NH2 3.29Å; A127-R130 PolarHBondContact O-N 3.41Å; R130-S132 PolarHBondContact O-N 3.15Å; R130-Q134 PolarHBondContact O-N 2.89Å
131	L	98	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.8	-177.7	63	0	0	0	112.1	I85 D86 A127 N133 Q134 L135	I85-L131 HydrophobicContact CG1-CD2 3.85Å; I85-L131 WeakPolarHBondContact O-CD2 3.49Å; D86-L131 HydrophobicContact CB-CB 4.12Å; A127-L131 PolarHBondContact O-N 2.84Å; L131-N133 PolarHBondContact O-N 2.98Å; L131-Q134 PolarHBondContact O-N 3.5Å; L131-L135 HydrophobicContact CD1-CD1 4.18Å; L131-L135 HydrophobicContact CD1-CG 4.1Å; L131-L135 HydrophobicContact CD2-CD1 4.3Å; L131-L135 HydrophobicContact CG-CD1 3.79Å; L131-L135 HydrophobicContact CG-CG 4.16Å; L131-L135 WeakPolarHBondContact O-CB 3.37Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 2.7Å
132	S	98.1	Very high	94.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-41.6	-176.4	-59.4	0	0	0	0	112.6	S114 A128 L129 R130 Q134 L135 I136 L165	S114-S132 WeakPolarHBondContact CB-OG 3.22Å; S114-S132 PolarHBondContact OG-OG 3.21Å; A128-S132 WeakPolarHBondContact O-CB 3.35Å; A128-S132 PolarHBondContact O-N 3.47Å; A128-S132 PolarHBondContact O-OG 3.15Å; L129-S132 PolarHBondContact O-N 3.4Å; R130-S132 PolarHBondContact O-N 3.15Å; S132-Q134 VanDerWaalsContact C-N 3.32Å; S132-Q134 PolarHBondContact O-N 3.34Å; S132-L135 PolarHBondContact O-N 3.1Å; S132-I136 WeakPolarHBondContact O-CB 3.38Å; S132-I136 WeakPolarHBondContact O-CD1 3.46Å; S132-I136 VanDerWaalsContact O-CG1 3.24Å; S132-I136 WeakPolarHBondContact O-CG1 3.4Å; S132-I136 PolarHBondContact O-N 3.29Å; S132-L165 WeakPolarHBondContact OG-CD2 3.37Å
133	N	97.4	Very high	95.2	Very high	76 Å²	76	41.3 Å²	41.3	41%	0.406	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-39.6	175.7	-77.5	-65.7	0	0	0	111.8	L129 L131 S137	L129-N133 WeakPolarHBondContact O-CB 3.14Å; L129-N133 PolarHBondContact O-N 2.85Å; L129-N133 PolarHBondContact O-ND2 3.22Å; L131-N133 PolarHBondContact O-N 2.98Å; N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 2.71Å; N133-S137 PolarHBondContact O-OG 2.87Å
134	Q	97.7	Very high	95.4	Very high	66 Å²	66	42.5 Å²	42.5	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-68	-41.7	176.2	-177	-178.7	-16	0	0	112.4	N90 R130 L131 S132 S137 L138	N90-Q134 VanDerWaalsContact OD1-CD 3.31Å; N90-Q134 PolarHBondContact OD1-NE2 3.01Å; N90-Q134 PolarHBondContact OD1-OE1 3.31Å; N90-Q134 VanDerWaalsContact OD1-OE1 3.09Å; R130-Q134 PolarHBondContact O-N 2.89Å; L131-Q134 PolarHBondContact O-N 3.5Å; S132-Q134 VanDerWaalsContact C-N 3.32Å; S132-Q134 PolarHBondContact O-N 3.34Å; Q134-S137 PolarHBondContact O-N 3.38Å; Q134-S137 PolarHBondContact O-OG 3.36Å; Q134-L138 HydrophobicContact CG-CD1 4.05Å; Q134-L138 WeakPolarHBondContact O-CB 3.48Å; Q134-L138 VanDerWaalsContact O-CG 3.22Å; Q134-L138 WeakPolarHBondContact O-CG 3.27Å; Q134-L138 PolarHBondContact O-N 3.26Å
135	L	97.6	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-44.7	174.5	-71.8	171.6	0	0	0	111.2	L93 V99 L110 L111 L131 S132 L138 G139 A140	L93-L135 HydrophobicContact CD1-CD2 4.04Å; L93-L135 HydrophobicContact CD2-CD2 4.11Å; V99-L135 HydrophobicContact CB-CD2 4.27Å; V99-L135 HydrophobicContact CG1-CD2 4.09Å; L110-L135 HydrophobicContact CB-CD1 3.68Å; L110-L135 HydrophobicContact CB-CD2 3.97Å; L110-L135 HydrophobicContact CD1-CD2 3.98Å; L111-L135 HydrophobicContact CB-CD1 4.16Å; L111-L135 HydrophobicContact CD1-CB 4.46Å; L111-L135 HydrophobicContact CD1-CD1 4.38Å; L131-L135 HydrophobicContact CD1-CD1 4.18Å; L131-L135 HydrophobicContact CD1-CG 4.1Å; L131-L135 HydrophobicContact CD2-CD1 4.3Å; L131-L135 HydrophobicContact CG-CD1 3.79Å; L131-L135 HydrophobicContact CG-CG 4.16Å; L131-L135 WeakPolarHBondContact O-CB 3.37Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 2.7Å; S132-L135 PolarHBondContact O-N 3.1Å; L135-L138 CarbonylContact O-C 3.46Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-G139 PolarHBondContact O-N 3.17Å; L135-A140 VanDerWaalsContact C-CB 3.49Å; L135-A140 HydrophobicContact CB-CB 3.89Å; L135-A140 WeakPolarHBondContact O-CB 3.39Å; L135-A140 PolarHBondContact O-N 3.36Å
136	I	96.1	Very high	95	Very high	39 Å²	39	41.7 Å²	41.7	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-44.9	177.6	-71.7	165.6	0	0	0	111.3	L111 S132 L138 G139 V142 I168 L169 A172	L111-I136 HydrophobicContact CD1-CG1 4.4Å; S132-I136 WeakPolarHBondContact O-CB 3.38Å; S132-I136 WeakPolarHBondContact O-CD1 3.46Å; S132-I136 VanDerWaalsContact O-CG1 3.24Å; S132-I136 WeakPolarHBondContact O-CG1 3.4Å; S132-I136 PolarHBondContact O-N 3.29Å; I136-L138 PolarHBondContact O-N 3.08Å; I136-G139 PolarHBondContact O-N 3.24Å; I136-V142 HydrophobicContact CG1-CG1 4.49Å; I136-I168 HydrophobicContact CD1-CD1 4.16Å; I136-I168 HydrophobicContact CD1-CG1 4.43Å; I136-L169 HydrophobicContact CD1-CD2 4.45Å; I136-A172 HydrophobicContact CD1-CB 4.02Å; I136-A172 HydrophobicContact CG1-CB 4.32Å; I136-A172 HydrophobicContact CG2-CB 3.59Å
137	S	95.8	Very high	94.4	Very high	98 Å²	98	47.5 Å²	47.5	69%	0.685	25%	0.248	S	C	*	.	H	α-helix	trans	-66.4	-27.9	178.7	68.1	0	0	0	0	113.1	N133 Q134 G139	N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 2.71Å; N133-S137 PolarHBondContact O-OG 2.87Å; Q134-S137 PolarHBondContact O-N 3.38Å; Q134-S137 PolarHBondContact O-OG 3.36Å; S137-G139 VanDerWaalsContact C-N 3.3Å
138	L	95.1	Very high	93.4	Very high	98 Å²	98	52.3 Å²	52.3	51%	0.513	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.9	171.8	-67.9	173	0	0	0	114	L93 V99 Q134 L135 I136	L93-L138 HydrophobicContact CD1-CD1 4.18Å; V99-L138 HydrophobicContact CG1-CB 3.59Å; V99-L138 HydrophobicContact CG1-CD1 4.2Å; Q134-L138 HydrophobicContact CG-CD1 4.05Å; Q134-L138 WeakPolarHBondContact O-CB 3.48Å; Q134-L138 VanDerWaalsContact O-CG 3.22Å; Q134-L138 WeakPolarHBondContact O-CG 3.27Å; Q134-L138 PolarHBondContact O-N 3.26Å; L135-L138 CarbonylContact O-C 3.46Å; L135-L138 PolarHBondContact O-N 2.84Å; I136-L138 PolarHBondContact O-N 3.08Å
139	G	94	Very high	92.4	Very high	46 Å²	46	52.6 Å²	52.6	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	26.6	173.5	0	0	0	0	0	115.9	N100 L135 I136 S137 D141	N100-G139 PolarHBondContact ND2-O 3.42Å; N100-G139 VanDerWaalsContact ND2-O 3.09Å; L135-G139 PolarHBondContact O-N 3.17Å; I136-G139 PolarHBondContact O-N 3.24Å; S137-G139 VanDerWaalsContact C-N 3.3Å; G139-D141 PolarHBondContact O-N 3.05Å
140	A	95.6	Very high	91.9	Very high	11 Å²	11	53 Å²	53	9%	0.091	27%	0.271	C	S	.	.			trans	-62.5	129.5	171.6	0	0	0	0	0	111.5	V99 N100 L111 L135 V142	V99-A140 HydrophobicContact CB-CB 4.26Å; V99-A140 HydrophobicContact CG2-CB 4.37Å; N100-A140 WeakPolarHBondContact OD1-CA 3.47Å; L111-A140 HydrophobicContact CD2-CB 4.19Å; L135-A140 VanDerWaalsContact C-CB 3.49Å; L135-A140 HydrophobicContact CB-CB 3.89Å; L135-A140 WeakPolarHBondContact O-CB 3.39Å; L135-A140 PolarHBondContact O-N 3.36Å; A140-V142 PolarHBondContact O-N 2.96Å
141	D	92.5	Very high	91.6	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	25%	0.249	S	C	.	.			trans	-88	103.9	-179.5	175.7	8.2	0	0	0	110.2	N100 G139 S143 L144	N100-D141 PolarHBondContact OD1-N 3.49Å; G139-D141 PolarHBondContact O-N 3.05Å; D141-S143 VanDerWaalsContact CG-OG 3.32Å; D141-S143 PolarHBondContact O-N 2.85Å; D141-S143 VanDerWaalsContact O-N 3.12Å; D141-S143 WeakPolarHBondContact OD1-CA 3.4Å; D141-S143 VanDerWaalsContact OD1-CB 3.28Å; D141-S143 WeakPolarHBondContact OD1-CB 3.43Å; D141-S143 PolarHBondContact OD1-N 3.2Å; D141-S143 PolarHBondContact OD1-OG 2.82Å; D141-S143 PolarHBondContact OD2-OG 3.03Å; D141-L144 HydrophobicContact CB-CD1 4.01Å; D141-L144 HydrophobicContact CB-CD2 4.43Å; D141-L144 HydrophobicContact CB-CG 3.77Å; D141-L144 WeakPolarHBondContact O-CG 3.33Å; D141-L144 PolarHBondContact O-N 3.13Å; D141-L144 WeakPolarHBondContact OD2-CD2 3.47Å
142	V	92.5	Very high	91.3	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.6	177.6	-54.2	0	0	0	0	114	L111 I136 A140 L169 A172	L111-V142 HydrophobicContact CD2-CB 4.44Å; L111-V142 HydrophobicContact CD2-CG1 3.98Å; I136-V142 HydrophobicContact CG1-CG1 4.49Å; A140-V142 PolarHBondContact O-N 2.96Å; V142-L169 HydrophobicContact CB-CD2 4.24Å; V142-L169 HydrophobicContact CG1-CD2 3.81Å; V142-A172 HydrophobicContact CG1-CB 4.23Å
143	S	90.9	Very high	91.2	Very high	54 Å²	54	47.1 Å²	47.1	38%	0.378	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-12.9	-178.3	77.9	0	0	0	0	114	D141	D141-S143 VanDerWaalsContact CG-OG 3.32Å; D141-S143 PolarHBondContact O-N 2.85Å; D141-S143 VanDerWaalsContact O-N 3.12Å; D141-S143 WeakPolarHBondContact OD1-CA 3.4Å; D141-S143 VanDerWaalsContact OD1-CB 3.28Å; D141-S143 WeakPolarHBondContact OD1-CB 3.43Å; D141-S143 PolarHBondContact OD1-N 3.2Å; D141-S143 PolarHBondContact OD1-OG 2.82Å; D141-S143 PolarHBondContact OD2-OG 3.03Å
144	L	92.8	Very high	91.1	Very high	34 Å²	34	43.6 Å²	43.6	18%	0.178	23%	0.23	C	C	.	.			trans	-58.3	143.1	175.4	-63.8	179.6	0	0	0	110.8	N100 T109 H112 D141 N152	N100-L144 HydrophobicContact CB-CD1 3.68Å; N100-L144 WeakPolarHBondContact OD1-CD1 3.25Å; T109-L144 HydrophobicContact CG2-CD1 4.06Å; H112-L144 PolarHBondContact CE1-O 3.08Å; H112-L144 PolarHBondContact NE2-O 3.24Å; H112-L144 VanDerWaalsContact NE2-O 3.15Å; D141-L144 HydrophobicContact CB-CD1 4.01Å; D141-L144 HydrophobicContact CB-CD2 4.43Å; D141-L144 HydrophobicContact CB-CG 3.77Å; D141-L144 WeakPolarHBondContact O-CG 3.33Å; D141-L144 PolarHBondContact O-N 3.13Å; D141-L144 WeakPolarHBondContact OD2-CD2 3.47Å; L144-N152 WeakPolarHBondContact O-CA 3.45Å; L144-N152 WeakPolarHBondContact O-CB 3.27Å
145	R	90.9	Very high	90.9	Very high	68 Å²	68	40.5 Å²	40.5	26%	0.257	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-119.6	139.6	-179.3	-68.3	156.1	171.3	-103.3	-0.8	109.9	R102 N150 M151 N152 T181	R102-R145 PolarHBondContact NH1-O 2.92Å; R145-N150 WeakPolarHBondContact CD-OD1 3.36Å; R145-N150 PolarHBondContact NH1-O 3.3Å; R145-N150 PolarHBondContact NH1-OD1 2.94Å; R145-M151 VanDerWaalsContact CA-O 3.28Å; R145-M151 WeakPolarHBondContact CA-O 3.07Å; R145-N152 HydrophobicContact CG-CB 3.98Å; R145-T181 VanDerWaalsContact CZ-O 3.25Å; R145-T181 PolarHBondContact NH1-O 2.74Å; R145-T181 PolarHBondContact NH2-O 3.24Å
146	S	87	Confident	90.7	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.014	22%	0.216	C	C	.	.			trans	-63.5	134.2	163.2	166.5	0	0	0	0	109.1	T106 W148 N150 M151	T106-S146 PolarHBondContact O-OG 2.9Å; S146-W148 VanDerWaalsContact C-N 3.26Å; S146-W148 PolarHBondContact O-N 3.18Å; S146-W148 PolarHBondContact OG-N 2.95Å; S146-N150 WeakPolarHBondContact O-CA 2.95Å; S146-N150 PolarHBondContact O-N 2.85Å; S146-M151 PolarHBondContact N-O 3.47Å
147	R	83	Confident	90.7	Very high	166 Å²	166	38.7 Å²	38.7	63%	0.626	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.9	177.5	-173.7	-174.5	-43.4	-167.4	8.9	113.9	D107	D107-R147 HydrophobicContact CB-CB 3.85Å; D107-R147 VanDerWaalsContact CG-CB 3.5Å; D107-R147 IonicContact OD1-CZ 3.44Å; D107-R147 IonicContact OD1-NE 3.7Å; D107-R147 PolarHBondContact OD1-NE 3.48Å; D107-R147 IonicContact OD1-NH2 2.66Å; D107-R147 PolarHBondContact OD1-NH2 3.06Å; D107-R147 VanDerWaalsContact OD2-CB 3.25Å; D107-R147 WeakPolarHBondContact OD2-CB 3.06Å; D107-R147 PolarHBondContact OD2-N 3.36Å
148	W	73.9	Confident	90.7	Very high	101 Å²	101	34 Å²	34	38%	0.383	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-41.9	-172.1	-56.4	117.5	0	0	0	112.9	L105 T106 S146 Q560	L105-W148 PolarHBondContact O-NE1 2.98Å; T106-W148 VanDerWaalsContact C-CD1 3.49Å; S146-W148 VanDerWaalsContact C-N 3.26Å; S146-W148 PolarHBondContact O-N 3.18Å; S146-W148 PolarHBondContact OG-N 2.95Å; W148-Q560 HydrophobicContact CH2-CB 4.37Å; W148-Q560 HydrophobicContact CZ3-CB 4.35Å
149	T	77.8	Confident	90.6	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-13.4	-176.1	59	0	0	0	0	113.1	M151 Y156 D184 W553	T149-M151 PolarHBondContact O-N 3.5Å; T149-M151 PolarHBondContact OG1-N 2.97Å; T149-Y156 PolarHBondContact OG1-OH 3.26Å; T149-D184 WeakPolarHBondContact CA-OD2 3.48Å; T149-D184 WeakPolarHBondContact O-CB 3.43Å; T149-W553 HydrophobicContact CG2-CD2 3.86Å; T149-W553 HydrophobicContact CG2-CE3 3.78Å; T149-W553 HydrophobicContact CG2-CH2 3.87Å; T149-W553 HydrophobicContact CG2-CZ2 3.89Å; T149-W553 HydrophobicContact CG2-CZ3 3.8Å
150	N	85.8	Confident	90.6	Very high	48 Å²	48	28 Å²	28	26%	0.257	13%	0.13	S	C	.	.			trans	54.9	21.3	-170.9	-165.6	9.8	0	0	0	112.9	R145 S146 C182 S183	R145-N150 WeakPolarHBondContact CD-OD1 3.36Å; R145-N150 PolarHBondContact NH1-O 3.3Å; R145-N150 PolarHBondContact NH1-OD1 2.94Å; S146-N150 WeakPolarHBondContact O-CA 2.95Å; S146-N150 PolarHBondContact O-N 2.85Å; N150-C182 WeakPolarHBondContact O-CB 3.19Å; N150-S183 WeakPolarHBondContact CB-OG 3.48Å; N150-S183 PolarHBondContact ND2-N 3.02Å; N150-S183 PolarHBondContact ND2-OG 3.33Å
151	M	90.2	Very high	90.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	14%	0.135	C	C	.	.			trans	-97.8	139.9	179.7	-80	169.2	55.9	0	0	111	H112 R145 S146 T149 H155 Y156 Y159 C182 I193 W553	H112-M151 PolarHBondContact NE2-O 3.38Å; R145-M151 VanDerWaalsContact CA-O 3.28Å; R145-M151 WeakPolarHBondContact CA-O 3.07Å; S146-M151 PolarHBondContact N-O 3.47Å; T149-M151 PolarHBondContact O-N 3.5Å; T149-M151 PolarHBondContact OG1-N 2.97Å; M151-H155 HydrophobicContact CB-CB 3.84Å; M151-H155 HydrophobicContact CE-CB 3.64Å; M151-H155 HydrophobicContact CG-CB 3.68Å; M151-H155 HydrophobicContact SD-CB 4.32Å; M151-Y156 HydrophobicContact CB-CD2 3.91Å; M151-Y156 HydrophobicContact CB-CE2 3.53Å; M151-Y156 HydrophobicContact CE-CD1 4.37Å; M151-Y156 HydrophobicContact CE-CD2 4.2Å; M151-Y156 HydrophobicContact CE-CE2 4.38Å; M151-Y156 HydrophobicContact CE-CG 4.22Å; M151-Y159 HydrophobicContact CE-CD2 4.3Å; M151-Y159 HydrophobicContact CE-CG 4.46Å; M151-C182 HydrophobicContact CG-CB 3.59Å; M151-C182 VanDerWaalsContact CG-SG 3.54Å; M151-I193 HydrophobicContact CE-CD1 4.08Å; M151-I193 HydrophobicContact CG-CD1 4.49Å; M151-I193 HydrophobicContact SD-CD1 4.07Å; M151-W553 HydrophobicContact CE-CH2 3.91Å; M151-W553 HydrophobicContact CE-CZ3 4.45Å; M151-W553 HydrophobicContact SD-CH2 3.51Å; M151-W553 VanDerWaalsContact SD-CH2 3.51Å; M151-W553 HydrophobicContact SD-CZ2 4.2Å; M151-W553 HydrophobicContact SD-CZ3 4.43Å
152	N	93.6	Very high	90.7	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-95.8	172.8	169.6	70.6	21.3	0	0	0	111.3	L144 R145 L154 H155 Y156	L144-N152 WeakPolarHBondContact O-CA 3.45Å; L144-N152 WeakPolarHBondContact O-CB 3.27Å; R145-N152 HydrophobicContact CG-CB 3.98Å; N152-L154 PolarHBondContact O-N 2.89Å; N152-L154 VanDerWaalsContact O-N 3.13Å; N152-L154 WeakPolarHBondContact OD1-CB 3.37Å; N152-L154 PolarHBondContact OD1-N 3.44Å; N152-L154 VanDerWaalsContact OD1-N 3.13Å; N152-H155 VanDerWaalsContact CG-ND1 3.28Å; N152-H155 PolarHBondContact N-ND1 2.94Å; N152-H155 WeakPolarHBondContact O-CB 3.37Å; N152-H155 PolarHBondContact O-N 3.08Å; N152-H155 PolarHBondContact OD1-N 2.84Å; N152-H155 PolarHBondContact OD1-ND1 2.91Å; N152-Y156 WeakPolarHBondContact O-CD2 3.41Å; N152-Y156 PolarHBondContact O-N 2.96Å
153	A	94.9	Very high	90.7	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-48.9	-40.4	-179.5	0	0	0	0	0	114.2	L111 H112 C115 H155 Y156 A157 L169	L111-A153 HydrophobicContact CD2-CB 3.93Å; L111-A153 HydrophobicContact CG-CB 3.93Å; H112-A153 PolarHBondContact NE2-N 3.28Å; C115-A153 PolarHBondContact SG-O 3.44Å; C115-A153 VanDerWaalsContact SG-O 3.41Å; A153-H155 PolarHBondContact O-N 2.83Å; A153-Y156 PolarHBondContact O-N 3.26Å; A153-A157 PolarHBondContact O-N 2.95Å; A153-L169 HydrophobicContact CB-CD1 4.09Å; A153-L169 HydrophobicContact CB-CD2 3.82Å
154	L	95.1	Very high	90.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-41.3	178.6	-178.4	67.9	0	0	0	112.4	N152 Y156 A157 A158 I166 L170 V177 A190 L206	N152-L154 PolarHBondContact O-N 2.89Å; N152-L154 VanDerWaalsContact O-N 3.13Å; N152-L154 WeakPolarHBondContact OD1-CB 3.37Å; N152-L154 PolarHBondContact OD1-N 3.44Å; N152-L154 VanDerWaalsContact OD1-N 3.13Å; L154-Y156 VanDerWaalsContact C-N 3.31Å; L154-Y156 PolarHBondContact O-N 3.09Å; L154-A157 PolarHBondContact O-N 3.11Å; L154-A158 WeakPolarHBondContact O-CB 3.22Å; L154-A158 PolarHBondContact O-N 2.83Å; L154-I166 HydrophobicContact CD1-CB 4.35Å; L154-I166 HydrophobicContact CD1-CG1 4.17Å; L154-I166 HydrophobicContact CD1-CG2 3.99Å; L154-L170 HydrophobicContact CD1-CD2 3.93Å; L154-L170 HydrophobicContact CD1-CG 3.96Å; L154-L170 HydrophobicContact CD2-CD2 3.69Å; L154-L170 HydrophobicContact CG-CD2 4.48Å; L154-V177 HydrophobicContact CB-CG1 4.34Å; L154-V177 HydrophobicContact CD2-CG1 4.07Å; L154-A190 HydrophobicContact CD2-CB 4.28Å; L154-A190 HydrophobicContact CG-CB 4.11Å; L154-L206 HydrophobicContact CD1-CD2 4.25Å
155	H	94.3	Very high	90.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-36.5	176	-61.4	90.5	0	0	0	111.3	M151 N152 A153 Y159 S180 I193	M151-H155 HydrophobicContact CB-CB 3.84Å; M151-H155 HydrophobicContact CE-CB 3.64Å; M151-H155 HydrophobicContact CG-CB 3.68Å; M151-H155 HydrophobicContact SD-CB 4.32Å; N152-H155 VanDerWaalsContact CG-ND1 3.28Å; N152-H155 PolarHBondContact N-ND1 2.94Å; N152-H155 WeakPolarHBondContact O-CB 3.37Å; N152-H155 PolarHBondContact O-N 3.08Å; N152-H155 PolarHBondContact OD1-N 2.84Å; N152-H155 PolarHBondContact OD1-ND1 2.91Å; A153-H155 PolarHBondContact O-N 2.83Å; H155-Y159 WeakPolarHBondContact O-CB 3.34Å; H155-Y159 PolarHBondContact O-N 3.23Å; H155-S180 PolarHBondContact NE2-O 2.75Å; H155-I193 HydrophobicContact CB-CD1 3.87Å
156	Y	94.1	Very high	91	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-42.8	175.6	-80.6	-86.6	0	0	0	112.4	M108 H112 T149 M151 N152 A153 L154 A158 Y159 F160 W550 W553	M108-Y156 HydrophobicContact CE-CD1 4.31Å; M108-Y156 HydrophobicContact CE-CE1 3.91Å; M108-Y156 HydrophobicContact SD-CE1 4.18Å; H112-Y156 AromaticContact CD2-CD2 3.57Å; H112-Y156 AromaticContact CD2-CE2 3.61Å; T149-Y156 PolarHBondContact OG1-OH 3.26Å; M151-Y156 HydrophobicContact CB-CD2 3.91Å; M151-Y156 HydrophobicContact CB-CE2 3.53Å; M151-Y156 HydrophobicContact CE-CD1 4.37Å; M151-Y156 HydrophobicContact CE-CD2 4.2Å; M151-Y156 HydrophobicContact CE-CE2 4.38Å; M151-Y156 HydrophobicContact CE-CG 4.22Å; N152-Y156 WeakPolarHBondContact O-CD2 3.41Å; N152-Y156 PolarHBondContact O-N 2.96Å; A153-Y156 PolarHBondContact O-N 3.26Å; L154-Y156 VanDerWaalsContact C-N 3.31Å; L154-Y156 PolarHBondContact O-N 3.09Å; Y156-A158 VanDerWaalsContact C-N 3.31Å; Y156-A158 PolarHBondContact O-N 3.27Å; Y156-Y159 WeakPolarHBondContact O-CB 3.34Å; Y156-Y159 PolarHBondContact O-N 3.18Å; Y156-F160 HydrophobicContact CD1-CD2 4.43Å; Y156-F160 AromaticContact CD1-CE2 3.98Å; Y156-F160 HydrophobicContact CD1-CE2 3.98Å; Y156-F160 WeakPolarHBondContact O-CD2 3.34Å; Y156-F160 PolarHBondContact O-N 2.86Å; Y156-W550 HydrophobicContact CE1-CZ3 4.26Å; Y156-W553 AromaticContact CE1-CZ3 3.87Å; Y156-W553 HydrophobicContact CE1-CZ3 3.87Å
157	A	95.8	Very high	91.2	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-38.4	175.6	0	0	0	0	0	111.9	C115 A153 L154 D161 V162 L165 I166 L169	C115-A157 HydrophobicContact CB-CB 4.27Å; A153-A157 PolarHBondContact O-N 2.95Å; L154-A157 PolarHBondContact O-N 3.11Å; A157-D161 PolarHBondContact O-N 2.69Å; A157-V162 PolarHBondContact O-N 3.19Å; A157-L165 HydrophobicContact CB-CB 4.06Å; A157-I166 HydrophobicContact CB-CG1 3.8Å; A157-L169 HydrophobicContact CB-CD1 3.92Å
158	A	95.4	Very high	91.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69	-33.6	173.6	0	0	0	0	0	113.6	L154 Y156 I166 A190 A194 C199 L206	L154-A158 WeakPolarHBondContact O-CB 3.22Å; L154-A158 PolarHBondContact O-N 2.83Å; Y156-A158 VanDerWaalsContact C-N 3.31Å; Y156-A158 PolarHBondContact O-N 3.27Å; A158-I166 HydrophobicContact CB-CD1 4.32Å; A158-A190 HydrophobicContact CB-CB 3.94Å; A158-A194 HydrophobicContact CB-CB 4.28Å; A158-C199 PolarHBondContact O-SG 2.87Å; A158-L206 HydrophobicContact CB-CD1 4.06Å
159	Y	93.6	Very high	92.7	Very high	15 Å²	15	16.9 Å²	16.9	6%	0.059	8%	0.08	C	C	.	.	H	α-helix	trans	-69.9	-38.1	178.3	-179.8	-81.5	0	0	0	113.1	M151 H155 Y156 I193 N197 C199 L546 C549 W553	M151-Y159 HydrophobicContact CE-CD2 4.3Å; M151-Y159 HydrophobicContact CE-CG 4.46Å; H155-Y159 WeakPolarHBondContact O-CB 3.34Å; H155-Y159 PolarHBondContact O-N 3.23Å; Y156-Y159 WeakPolarHBondContact O-CB 3.34Å; Y156-Y159 PolarHBondContact O-N 3.18Å; Y159-I193 HydrophobicContact CD2-CG2 3.69Å; Y159-I193 HydrophobicContact CG-CG2 4.17Å; Y159-N197 WeakPolarHBondContact CD2-ND2 3.37Å; Y159-N197 WeakPolarHBondContact CE2-ND2 3.4Å; Y159-N197 PolarHBondContact O-ND2 3.11Å; Y159-N197 VanDerWaalsContact O-ND2 3.11Å; Y159-C199 PolarHBondContact O-SG 3.37Å; Y159-L546 HydrophobicContact CD1-CD2 4.07Å; Y159-L546 HydrophobicContact CE1-CD2 3.9Å; Y159-L546 VanDerWaalsContact O-CD2 3.28Å; Y159-L546 WeakPolarHBondContact O-CD2 3.19Å; Y159-C549 WeakPolarHBondContact OH-CB 3.37Å; Y159-W553 HydrophobicContact CD2-CH2 4.4Å; Y159-W553 HydrophobicContact CE2-CH2 4.06Å; Y159-W553 HydrophobicContact CE2-CZ3 4.5Å
160	F	92.8	Very high	93.1	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.5	-174.7	-79.5	-64.4	0	0	0	114.4	W77 K116 A119 Y156 V162 L546 W550	W77-F160 AromaticContact CH2-CD1 3.99Å; W77-F160 HydrophobicContact CH2-CD1 3.99Å; W77-F160 AromaticContact CH2-CE1 3.76Å; W77-F160 HydrophobicContact CH2-CE1 3.76Å; W77-F160 HydrophobicContact CH2-CZ 4.39Å; W77-F160 HydrophobicContact CZ2-CD1 4.06Å; W77-F160 AromaticContact CZ2-CE1 3.64Å; W77-F160 HydrophobicContact CZ2-CE1 3.64Å; W77-F160 HydrophobicContact CZ2-CZ 4.5Å; K116-F160 HydrophobicContact CB-CD2 3.98Å; K116-F160 HydrophobicContact CB-CE2 3.6Å; K116-F160 HydrophobicContact CB-CZ 4.19Å; K116-F160 HydrophobicContact CD-CE2 4.23Å; K116-F160 HydrophobicContact CD-CZ 4.11Å; K116-F160 HydrophobicContact CG-CD2 4.43Å; K116-F160 HydrophobicContact CG-CE1 4.48Å; K116-F160 HydrophobicContact CG-CE2 3.77Å; K116-F160 HydrophobicContact CG-CZ 3.81Å; A119-F160 HydrophobicContact CB-CB 3.86Å; A119-F160 HydrophobicContact CB-CD1 3.77Å; A119-F160 HydrophobicContact CB-CG 4.14Å; Y156-F160 HydrophobicContact CD1-CD2 4.43Å; Y156-F160 AromaticContact CD1-CE2 3.98Å; Y156-F160 HydrophobicContact CD1-CE2 3.98Å; Y156-F160 WeakPolarHBondContact O-CD2 3.34Å; Y156-F160 PolarHBondContact O-N 2.86Å; F160-V162 HydrophobicContact CB-CG2 3.98Å; F160-L546 HydrophobicContact CD1-CB 4.41Å; F160-L546 HydrophobicContact CD1-CD1 4.19Å; F160-L546 HydrophobicContact CD1-CD2 3.96Å; F160-L546 HydrophobicContact CD1-CG 4.41Å; F160-L546 HydrophobicContact CE1-CB 4.35Å; F160-L546 HydrophobicContact CE1-CD2 4.36Å; F160-W550 HydrophobicContact CZ-CE3 4.1Å
161	D	94.3	Very high	93.2	Very high	38 Å²	38	24.3 Å²	24.3	20%	0.203	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	66.9	-170.6	-150.9	10.3	0	0	0	115.2	A157 P163 C199 L200 S202	A157-D161 PolarHBondContact O-N 2.69Å; D161-P163 WeakPolarHBondContact O-CD 3.31Å; D161-C199 HydrophobicContact CB-CB 3.61Å; D161-C199 VanDerWaalsContact CG-CA 3.47Å; D161-C199 VanDerWaalsContact CG-CB 3.46Å; D161-C199 VanDerWaalsContact OD2-CA 3.28Å; D161-C199 WeakPolarHBondContact OD2-CA 3.16Å; D161-L200 PolarHBondContact OD2-N 3.32Å; D161-S202 WeakPolarHBondContact CA-OG 3.19Å; D161-S202 WeakPolarHBondContact OD1-CB 3.31Å; D161-S202 PolarHBondContact OD1-N 3.33Å; D161-S202 PolarHBondContact OD1-OG 3.03Å
162	V	95.6	Very high	92.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.128	C	C	.	.			trans	-122.6	79.2	-179.5	-158.3	0	0	0	0	112.1	G118 A157 F160 E164 L165 I166 S202	G118-V162 VanDerWaalsContact C-CG2 3.46Å; A157-V162 PolarHBondContact O-N 3.19Å; F160-V162 HydrophobicContact CB-CG2 3.98Å; V162-E164 VanDerWaalsContact C-N 3.31Å; V162-E164 PolarHBondContact O-N 2.85Å; V162-L165 HydrophobicContact CB-CB 4.24Å; V162-L165 HydrophobicContact CB-CD1 4.21Å; V162-L165 HydrophobicContact CB-CG 4.36Å; V162-L165 HydrophobicContact CG1-CB 3.94Å; V162-L165 HydrophobicContact CG1-CD1 3.65Å; V162-L165 HydrophobicContact CG1-CG 3.6Å; V162-L165 PolarHBondContact O-N 2.72Å; V162-I166 PolarHBondContact O-N 3.32Å; V162-I166 VanDerWaalsContact O-N 3.14Å; V162-S202 PolarHBondContact N-OG 3.23Å
163	P	92.6	Very high	92.3	Very high	21 Å²	21	27.3 Å²	27.3	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-56.9	-37.9	-175.7	-26.4	36.3	0	0	0	114.2	D161 L165 I166 R167 C205	D161-P163 WeakPolarHBondContact O-CD 3.31Å; P163-L165 VanDerWaalsContact C-N 3.31Å; P163-L165 PolarHBondContact O-N 2.72Å; P163-I166 WeakPolarHBondContact O-CB 3.47Å; P163-I166 PolarHBondContact O-N 2.67Å; P163-R167 WeakPolarHBondContact O-CG 3.36Å; P163-R167 PolarHBondContact O-N 2.86Å; P163-C205 HydrophobicContact CB-CB 4.05Å
164	E	92.7	Very high	91.1	Very high	83 Å²	83	35.5 Å²	35.5	39%	0.388	17%	0.17	S	C	.	.	H	α-helix	trans	-67	-35.8	-177.5	-59.5	69.7	-154	0	0	111.3	L129 V162 R167 I168	L129-E164 HydrophobicContact CD1-CB 3.75Å; L129-E164 HydrophobicContact CD1-CG 4.2Å; L129-E164 HydrophobicContact CD2-CB 3.88Å; L129-E164 HydrophobicContact CG-CB 4.15Å; V162-E164 VanDerWaalsContact C-N 3.31Å; V162-E164 PolarHBondContact O-N 2.85Å; E164-R167 PolarHBondContact O-N 2.93Å; E164-I168 PolarHBondContact O-N 3.11Å
165	L	95	Very high	89.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.1	-38	174.1	-65.5	-177.1	0	0	0	111.5	S114 A128 L129 S132 A157 V162 P163 R167 I168 L169	S114-L165 WeakPolarHBondContact O-CD1 3.43Å; A128-L165 HydrophobicContact CB-CD1 3.99Å; L129-L165 HydrophobicContact CD2-CD2 3.78Å; L129-L165 HydrophobicContact CG-CD2 3.98Å; S132-L165 WeakPolarHBondContact OG-CD2 3.37Å; A157-L165 HydrophobicContact CB-CB 4.06Å; V162-L165 HydrophobicContact CB-CB 4.24Å; V162-L165 HydrophobicContact CB-CD1 4.21Å; V162-L165 HydrophobicContact CB-CG 4.36Å; V162-L165 HydrophobicContact CG1-CB 3.94Å; V162-L165 HydrophobicContact CG1-CD1 3.65Å; V162-L165 HydrophobicContact CG1-CG 3.6Å; V162-L165 PolarHBondContact O-N 2.72Å; P163-L165 VanDerWaalsContact C-N 3.31Å; P163-L165 PolarHBondContact O-N 2.72Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 3.29Å; L165-I168 HydrophobicContact CD2-CD1 3.81Å; L165-I168 HydrophobicContact CD2-CG1 4.25Å; L165-I168 WeakPolarHBondContact O-CG1 3.47Å; L165-I168 PolarHBondContact O-N 2.91Å; L165-L169 VanDerWaalsContact O-CB 3.25Å; L165-L169 WeakPolarHBondContact O-CB 3.21Å; L165-L169 WeakPolarHBondContact O-CD1 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 3.44Å
166	I	94.6	Very high	88.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-46.6	170.6	-67	168.1	0	0	0	110.4	L154 A157 A158 V162 P163 I168 L169 L170 S202 C205 L206	L154-I166 HydrophobicContact CD1-CB 4.35Å; L154-I166 HydrophobicContact CD1-CG1 4.17Å; L154-I166 HydrophobicContact CD1-CG2 3.99Å; A157-I166 HydrophobicContact CB-CG1 3.8Å; A158-I166 HydrophobicContact CB-CD1 4.32Å; V162-I166 PolarHBondContact O-N 3.32Å; V162-I166 VanDerWaalsContact O-N 3.14Å; P163-I166 WeakPolarHBondContact O-CB 3.47Å; P163-I166 PolarHBondContact O-N 2.67Å; I166-I168 PolarHBondContact O-N 3.38Å; I166-L169 PolarHBondContact O-N 2.94Å; I166-L170 HydrophobicContact CG2-CD1 3.62Å; I166-L170 HydrophobicContact CG2-CG 4.2Å; I166-L170 WeakPolarHBondContact O-CB 3.4Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.49Å; I166-L170 PolarHBondContact O-N 3.03Å; I166-S202 VanDerWaalsContact CD1-CB 3.47Å; I166-S202 VanDerWaalsContact CD1-OG 3.31Å; I166-S202 WeakPolarHBondContact CD1-OG 3.18Å; I166-C205 HydrophobicContact CG2-CB 4.43Å; I166-C205 VanDerWaalsContact CG2-SG 3.58Å; I166-L206 HydrophobicContact CD1-CG 4.28Å; I166-L206 HydrophobicContact CG2-CD2 3.87Å; I166-L206 HydrophobicContact CG2-CG 4.26Å
167	R	91.3	Very high	87.2	Confident	98 Å²	98	51.7 Å²	51.7	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-49.3	178.6	-68.3	173.8	-162.6	-71.7	-5	112.3	P163 E164 L165 K171 E208	P163-R167 WeakPolarHBondContact O-CG 3.36Å; P163-R167 PolarHBondContact O-N 2.86Å; E164-R167 PolarHBondContact O-N 2.93Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 3.29Å; R167-K171 WeakPolarHBondContact O-CB 3.03Å; R167-K171 PolarHBondContact O-N 3.33Å; R167-K171 VanDerWaalsContact O-N 3.12Å; R167-E208 IonicContact CZ-OE2 2.72Å; R167-E208 VanDerWaalsContact CZ-OE2 3.23Å; R167-E208 IonicContact NH1-OE2 3.82Å; R167-E208 PolarHBondContact NH1-OE2 2.96Å; R167-E208 IonicContact NH2-OE1 3.33Å; R167-E208 IonicContact NH2-OE2 3.69Å; R167-E208 PolarHBondContact NH2-OE2 2.94Å
168	I	93.8	Very high	86.3	Confident	29 Å²	29	52.8 Å²	52.8	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-73.6	-35.6	-179.3	63.8	163.5	0	0	0	113	L129 I136 E164 L165 I166 K171 A172	L129-I168 HydrophobicContact CD2-CD1 4Å; L129-I168 HydrophobicContact CD2-CG1 4.39Å; L129-I168 HydrophobicContact CD2-CG2 4.31Å; I136-I168 HydrophobicContact CD1-CD1 4.16Å; I136-I168 HydrophobicContact CD1-CG1 4.43Å; E164-I168 PolarHBondContact O-N 3.11Å; L165-I168 HydrophobicContact CD2-CD1 3.81Å; L165-I168 HydrophobicContact CD2-CG1 4.25Å; L165-I168 WeakPolarHBondContact O-CG1 3.47Å; L165-I168 PolarHBondContact O-N 2.91Å; I166-I168 PolarHBondContact O-N 3.38Å; I168-K171 PolarHBondContact O-N 3.31Å; I168-A172 WeakPolarHBondContact O-CB 3.37Å; I168-A172 PolarHBondContact O-N 3.19Å
169	L	93.2	Very high	85.4	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-46.3	176.7	-72.9	169.2	0	0	0	110.6	L111 I136 V142 A153 A157 L165 I166 A172 S173	L111-L169 HydrophobicContact CD1-CD2 4.14Å; L111-L169 HydrophobicContact CD2-CD2 3.93Å; L111-L169 HydrophobicContact CG-CD2 4.21Å; I136-L169 HydrophobicContact CD1-CD2 4.45Å; V142-L169 HydrophobicContact CB-CD2 4.24Å; V142-L169 HydrophobicContact CG1-CD2 3.81Å; A153-L169 HydrophobicContact CB-CD1 4.09Å; A153-L169 HydrophobicContact CB-CD2 3.82Å; A157-L169 HydrophobicContact CB-CD1 3.92Å; L165-L169 VanDerWaalsContact O-CB 3.25Å; L165-L169 WeakPolarHBondContact O-CB 3.21Å; L165-L169 WeakPolarHBondContact O-CD1 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 3.44Å; I166-L169 PolarHBondContact O-N 2.94Å; L169-A172 CarbonylContact O-C 3.59Å; L169-A172 PolarHBondContact O-N 3.09Å; L169-S173 WeakPolarHBondContact O-CB 3.28Å; L169-S173 PolarHBondContact O-N 2.95Å
170	L	87.4	Confident	84.8	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-42.5	178.1	-70.2	177.9	0	0	0	111.5	L154 I166 A172 S173 L178 L206 H209	L154-L170 HydrophobicContact CD1-CD2 3.93Å; L154-L170 HydrophobicContact CD1-CG 3.96Å; L154-L170 HydrophobicContact CD2-CD2 3.69Å; L154-L170 HydrophobicContact CG-CD2 4.48Å; I166-L170 HydrophobicContact CG2-CD1 3.62Å; I166-L170 HydrophobicContact CG2-CG 4.2Å; I166-L170 WeakPolarHBondContact O-CB 3.4Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.49Å; I166-L170 PolarHBondContact O-N 3.03Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 3.37Å; L170-S173 WeakPolarHBondContact CA-OG 3.43Å; L170-S173 PolarHBondContact O-N 3.39Å; L170-S173 VanDerWaalsContact O-N 3.11Å; L170-S173 PolarHBondContact O-OG 2.85Å; L170-L178 HydrophobicContact CD1-CD1 3.86Å; L170-L178 HydrophobicContact CD2-CB 4.15Å; L170-L178 HydrophobicContact CD2-CD1 3.73Å; L170-L178 HydrophobicContact CG-CD1 4.49Å; L170-L206 HydrophobicContact CD1-CD2 4.45Å; L170-H209 HydrophobicContact CD1-CB 3.52Å
171	K	87.4	Confident	84.5	Confident	190 Å²	190	58.9 Å²	58.9	83%	0.826	29%	0.29	S	S	*	.	H	α-helix	trans	-60	-33.5	173.9	-175.3	179.2	178.5	-176.8	0	113.5	R167 I168	R167-K171 WeakPolarHBondContact O-CB 3.03Å; R167-K171 PolarHBondContact O-N 3.33Å; R167-K171 VanDerWaalsContact O-N 3.12Å; I168-K171 PolarHBondContact O-N 3.31Å
172	A	84.1	Confident	83.9	Confident	46 Å²	46	57.1 Å²	57.1	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-87.2	-11.8	176.8	0	0	0	0	0	113.8	I136 V142 I168 L169 L170	I136-A172 HydrophobicContact CD1-CB 4.02Å; I136-A172 HydrophobicContact CG1-CB 4.32Å; I136-A172 HydrophobicContact CG2-CB 3.59Å; V142-A172 HydrophobicContact CG1-CB 4.23Å; I168-A172 WeakPolarHBondContact O-CB 3.37Å; I168-A172 PolarHBondContact O-N 3.19Å; L169-A172 CarbonylContact O-C 3.59Å; L169-A172 PolarHBondContact O-N 3.09Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 3.37Å
173	S	80.5	Confident	83.1	Confident	22 Å²	22	59.3 Å²	59.3	15%	0.154	30%	0.296	C	S	.	.	S	Bend	trans	-92.5	158.8	-173.3	77	0	0	0	0	113.8	L169 L170	L169-S173 WeakPolarHBondContact O-CB 3.28Å; L169-S173 PolarHBondContact O-N 2.95Å; L170-S173 WeakPolarHBondContact CA-OG 3.43Å; L170-S173 PolarHBondContact O-N 3.39Å; L170-S173 VanDerWaalsContact O-N 3.11Å; L170-S173 PolarHBondContact O-OG 2.85Å
174	K	70.3	Confident	82.4	Confident	171 Å²	171	61 Å²	61	74%	0.743	30%	0.304	S	S	*	.			trans	-75.7	146.6	163	-64.3	174	-176.7	170.9	0	109	R176 V177	K174-R176 PolarHBondContact O-N 3.47Å; K174-V177 WeakPolarHBondContact O-CG2 3.48Å; K174-V177 PolarHBondContact O-N 3.23Å
175	P	60.5	Low	81.7	Confident	110 Å²	110	59.5 Å²	59.5	71%	0.714	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-51.7	-25.1	-175.8	-30.6	35.5	0	0	0	116.3	V177	P175-V177 PolarHBondContact O-N 3.24Å
176	R	65.5	Low	81.2	Confident	224 Å²	224	63.2 Å²	63.2	85%	0.845	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.5	176.5	-65.1	-176.2	177.3	179.7	-1.8	114.6	K174 S180	K174-R176 PolarHBondContact O-N 3.47Å; R176-S180 PolarHBondContact O-OG 3.17Å
177	V	74.1	Confident	80.8	Confident	12 Å²	12	66.6 Å²	66.6	7%	0.073	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-73	-32.6	-178.3	179.6	0	0	0	0	111.8	L154 K174 P175 N179 S180	L154-V177 HydrophobicContact CB-CG1 4.34Å; L154-V177 HydrophobicContact CD2-CG1 4.07Å; K174-V177 WeakPolarHBondContact O-CG2 3.48Å; K174-V177 PolarHBondContact O-N 3.23Å; P175-V177 PolarHBondContact O-N 3.24Å; V177-N179 PolarHBondContact O-N 3.46Å; V177-S180 WeakPolarHBondContact O-CB 3.41Å; V177-S180 PolarHBondContact O-N 3.09Å; V177-S180 VanDerWaalsContact O-N 3.09Å; V177-S180 PolarHBondContact O-OG 3.07Å
178	L	78.4	Confident	80.5	Confident	22 Å²	22	62 Å²	62	12%	0.115	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-44.8	-176.2	-178.2	62.9	0	0	0	113.9	L170 L206 H209 A211	L170-L178 HydrophobicContact CD1-CD1 3.86Å; L170-L178 HydrophobicContact CD2-CB 4.15Å; L170-L178 HydrophobicContact CD2-CD1 3.73Å; L170-L178 HydrophobicContact CG-CD1 4.49Å; L178-L206 HydrophobicContact CD1-CD2 3.99Å; L178-H209 VanDerWaalsContact CD2-O 3.29Å; L178-H209 WeakPolarHBondContact CD2-O 3.31Å; L178-A211 HydrophobicContact CD1-CB 4.03Å; L178-A211 HydrophobicContact CG-CB 4.29Å
179	N	75.3	Confident	80.5	Confident	71 Å²	71	60.6 Å²	60.6	38%	0.38	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	20.9	178.1	-63	-42	0	0	0	112.3	V177	V177-N179 PolarHBondContact O-N 3.46Å
180	S	82.6	Confident	80.5	Confident	26 Å²	26	60.5 Å²	60.5	18%	0.182	30%	0.304	C	S	.	.			trans	-61.6	144	168.8	-76.4	0	0	0	0	110.4	H155 R176 V177 T189	H155-S180 PolarHBondContact NE2-O 2.75Å; R176-S180 PolarHBondContact O-OG 3.17Å; V177-S180 WeakPolarHBondContact O-CB 3.41Å; V177-S180 PolarHBondContact O-N 3.09Å; V177-S180 VanDerWaalsContact O-N 3.09Å; V177-S180 PolarHBondContact O-OG 3.07Å; S180-T189 WeakPolarHBondContact O-CA 3.32Å
181	T	86	Confident	80.8	Confident	48 Å²	48	59.6 Å²	59.6	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152.9	-178.9	56.4	0	0	0	0	111.4	R145 H187 G188 T189	R145-T181 VanDerWaalsContact CZ-O 3.25Å; R145-T181 PolarHBondContact NH1-O 2.74Å; R145-T181 PolarHBondContact NH2-O 3.24Å; T181-H187 WeakPolarHBondContact CB-O 3.46Å; T181-H187 WeakPolarHBondContact CG2-O 3.22Å; T181-G188 VanDerWaalsContact CA-O 3.28Å; T181-G188 WeakPolarHBondContact CA-O 3.21Å; T181-T189 HydrophobicContact CG2-CG2 3.95Å
182	C	82.1	Confident	81.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	173.4	71.1	0	0	0	0	112.7	N150 M151 D184 F185 H187 G188	N150-C182 WeakPolarHBondContact O-CB 3.19Å; M151-C182 HydrophobicContact CG-CB 3.59Å; M151-C182 VanDerWaalsContact CG-SG 3.54Å; C182-D184 VanDerWaalsContact C-N 3.35Å; C182-D184 PolarHBondContact O-N 3.46Å; C182-F185 PolarHBondContact O-N 3.13Å; C182-F185 VanDerWaalsContact SG-CB 3.59Å; C182-H187 WeakPolarHBondContact O-CA 3.44Å; C182-H187 PolarHBondContact O-N 2.96Å; C182-G188 PolarHBondContact N-O 2.99Å
183	S	78.5	Confident	81.5	Confident	49 Å²	49	48.4 Å²	48.4	34%	0.343	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.6	-34.3	-176.6	48	0	0	0	0	113.3	N150 F185 H186	N150-S183 WeakPolarHBondContact CB-OG 3.48Å; N150-S183 PolarHBondContact ND2-N 3.02Å; N150-S183 PolarHBondContact ND2-OG 3.33Å; S183-F185 PolarHBondContact O-N 3.23Å; S183-H186 PolarHBondContact O-N 3.13Å; S183-H186 VanDerWaalsContact O-N 3.08Å
184	D	76.7	Confident	82.2	Confident	57 Å²	57	47.3 Å²	47.3	31%	0.305	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-60.6	-25	177.2	-92.5	29.9	0	0	0	113.3	T149 C182	T149-D184 WeakPolarHBondContact CA-OD2 3.48Å; T149-D184 WeakPolarHBondContact O-CB 3.43Å; C182-D184 VanDerWaalsContact C-N 3.35Å; C182-D184 PolarHBondContact O-N 3.46Å
185	F	78.9	Confident	83.4	Confident	51 Å²	51	39.2 Å²	39.2	22%	0.224	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-107.7	33.3	176.5	-144.8	-96	0	0	0	113.2	C182 S183 H187 G188 H192 I193 S196 V226	C182-F185 PolarHBondContact O-N 3.13Å; C182-F185 VanDerWaalsContact SG-CB 3.59Å; S183-F185 PolarHBondContact O-N 3.23Å; F185-H187 VanDerWaalsContact C-N 3.3Å; F185-H187 PolarHBondContact O-N 2.7Å; F185-G188 WeakPolarHBondContact O-CA 3.48Å; F185-G188 PolarHBondContact O-N 3.21Å; F185-H192 HydrophobicContact CD1-CB 3.84Å; F185-H192 HydrophobicContact CE1-CB 3.89Å; F185-I193 HydrophobicContact CB-CD1 4.33Å; F185-I193 HydrophobicContact CB-CG1 3.96Å; F185-I193 HydrophobicContact CD1-CG1 4.06Å; F185-I193 HydrophobicContact CD2-CG1 4.15Å; F185-I193 HydrophobicContact CG-CG1 3.74Å; F185-S196 WeakPolarHBondContact CE2-OG 3.33Å; F185-S196 WeakPolarHBondContact CZ-OG 3.43Å; F185-V226 HydrophobicContact CE1-CG2 4.45Å
186	H	84.1	Confident	84.9	Confident	77 Å²	77	35 Å²	35	36%	0.356	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	38.5	-178.9	-53.3	-64.8	0	0	0	113.3	S183 G188 N217 D218 K219	S183-H186 PolarHBondContact O-N 3.13Å; S183-H186 VanDerWaalsContact O-N 3.08Å; H186-G188 PolarHBondContact O-N 2.93Å; H186-N217 WeakPolarHBondContact O-CB 3.37Å; H186-D218 HydrophobicContact CB-CB 4.36Å; H186-D218 WeakPolarHBondContact O-CB 3.19Å; H186-D218 PolarHBondContact O-N 3.18Å; H186-K219 HydrophobicContact CB-CG 4.44Å; H186-K219 PolarHBondContact CD2-NZ 3.41Å; H186-K219 VanDerWaalsContact NE2-CE 3.27Å; H186-K219 WeakPolarHBondContact NE2-CE 3.44Å; H186-K219 PolarHBondContact NE2-NZ 3.07Å
187	H	85.1	Confident	86.2	Confident	72 Å²	72	26.3 Å²	26.3	33%	0.333	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.2	-168.9	-58	101.1	0	0	0	113.8	T181 C182 F185 D218	T181-H187 WeakPolarHBondContact CB-O 3.46Å; T181-H187 WeakPolarHBondContact CG2-O 3.22Å; C182-H187 WeakPolarHBondContact O-CA 3.44Å; C182-H187 PolarHBondContact O-N 2.96Å; F185-H187 VanDerWaalsContact C-N 3.3Å; F185-H187 PolarHBondContact O-N 2.7Å; H187-D218 IonicContact CE1-OD2 2.89Å; H187-D218 IonicContact CG-OD1 2.92Å; H187-D218 IonicContact CG-OD2 2.8Å; H187-D218 VanDerWaalsContact ND1-CG 3.34Å; H187-D218 IonicContact ND1-OD1 3.39Å; H187-D218 PolarHBondContact ND1-OD1 3.14Å; H187-D218 IonicContact ND1-OD2 3.89Å; H187-D218 PolarHBondContact ND1-OD2 2.83Å
188	G	86.8	Confident	87.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	154	163.6	0	0	0	0	0	112.1	T181 C182 F185 H186	T181-G188 VanDerWaalsContact CA-O 3.28Å; T181-G188 WeakPolarHBondContact CA-O 3.21Å; C182-G188 PolarHBondContact N-O 2.99Å; F185-G188 WeakPolarHBondContact O-CA 3.48Å; F185-G188 PolarHBondContact O-N 3.21Å; H186-G188 PolarHBondContact O-N 2.93Å
189	T	91.9	Very high	87.9	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	172.2	175.3	61.6	0	0	0	0	112.1	S180 T181 L191 H192 I193 V215	S180-T189 WeakPolarHBondContact O-CA 3.32Å; T181-T189 HydrophobicContact CG2-CG2 3.95Å; T189-L191 PolarHBondContact O-N 2.86Å; T189-L191 VanDerWaalsContact O-N 3.1Å; T189-L191 PolarHBondContact OG1-N 3.4Å; T189-H192 PolarHBondContact N-ND1 2.64Å; T189-H192 VanDerWaalsContact N-ND1 3.17Å; T189-H192 WeakPolarHBondContact O-CB 3.34Å; T189-H192 PolarHBondContact O-N 3.45Å; T189-H192 PolarHBondContact OG1-ND1 2.92Å; T189-I193 PolarHBondContact O-N 3.38Å; T189-V215 HydrophobicContact CG2-CG1 3.96Å
190	A	93.4	Very high	88.7	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-50.2	-34.1	170.4	0	0	0	0	0	113.4	L154 A158 I193 A194 L206	L154-A190 HydrophobicContact CD2-CB 4.28Å; L154-A190 HydrophobicContact CG-CB 4.11Å; A158-A190 HydrophobicContact CB-CB 3.94Å; A190-I193 PolarHBondContact O-N 2.91Å; A190-A194 PolarHBondContact O-N 2.88Å; A190-L206 HydrophobicContact CB-CD1 4.09Å; A190-L206 HydrophobicContact CB-CD2 4.3Å
191	L	93.8	Very high	89	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-68.3	-33.8	176.5	-172.9	63.6	0	0	0	112.8	T189 A195 V203 L206 L207 A211 P213 P223 L251	T189-L191 PolarHBondContact O-N 2.86Å; T189-L191 VanDerWaalsContact O-N 3.1Å; T189-L191 PolarHBondContact OG1-N 3.4Å; L191-A195 WeakPolarHBondContact O-CB 3.37Å; L191-A195 PolarHBondContact O-N 2.91Å; L191-A195 VanDerWaalsContact O-N 3.07Å; L191-V203 HydrophobicContact CD1-CB 4.42Å; L191-V203 HydrophobicContact CD1-CG1 4.09Å; L191-V203 HydrophobicContact CD1-CG2 4.32Å; L191-L206 HydrophobicContact CB-CD1 4.35Å; L191-L206 HydrophobicContact CD1-CB 4Å; L191-L206 HydrophobicContact CD1-CD1 4.32Å; L191-L207 HydrophobicContact CD1-CD2 4.33Å; L191-L207 HydrophobicContact CD1-CG 4.24Å; L191-L207 HydrophobicContact CD2-CD2 3.97Å; L191-A211 HydrophobicContact CB-CB 4.35Å; L191-A211 HydrophobicContact CD2-CB 3.99Å; L191-P213 HydrophobicContact CD2-CB 4.2Å; L191-P223 HydrophobicContact CB-CG 4.47Å; L191-P223 HydrophobicContact CD2-CB 4.28Å; L191-P223 HydrophobicContact CD2-CG 3.93Å; L191-P223 HydrophobicContact CG-CB 4.06Å; L191-P223 HydrophobicContact CG-CG 4.01Å; L191-L251 HydrophobicContact CD1-CD2 4.07Å; L191-L251 HydrophobicContact CD2-CD2 4.25Å; L191-L251 HydrophobicContact CG-CD2 4.25Å
192	H	93.7	Very high	89.5	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-41.8	173.8	-69.4	75.7	0	0	0	111.4	F185 T189 A195 S196 V215 Q221 V226	F185-H192 HydrophobicContact CD1-CB 3.84Å; F185-H192 HydrophobicContact CE1-CB 3.89Å; T189-H192 PolarHBondContact N-ND1 2.64Å; T189-H192 VanDerWaalsContact N-ND1 3.17Å; T189-H192 WeakPolarHBondContact O-CB 3.34Å; T189-H192 PolarHBondContact O-N 3.45Å; T189-H192 PolarHBondContact OG1-ND1 2.92Å; H192-A195 PolarHBondContact O-N 2.83Å; H192-S196 PolarHBondContact O-N 2.99Å; H192-S196 PolarHBondContact O-OG 3.16Å; H192-V215 PolarHBondContact CE1-O 3.06Å; H192-V215 PolarHBondContact NE2-O 3.11Å; H192-Q221 PolarHBondContact NE2-O 3.35Å; H192-Q221 VanDerWaalsContact NE2-O 3.16Å; H192-V226 HydrophobicContact CB-CG2 4.27Å; H192-V226 WeakPolarHBondContact O-CG2 3.43Å
193	I	93.4	Very high	90.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-46.6	-179.6	-60.4	176.9	0	0	0	110.8	M151 H155 Y159 F185 T189 A190 A195 S196 N197	M151-I193 HydrophobicContact CE-CD1 4.08Å; M151-I193 HydrophobicContact CG-CD1 4.49Å; M151-I193 HydrophobicContact SD-CD1 4.07Å; H155-I193 HydrophobicContact CB-CD1 3.87Å; Y159-I193 HydrophobicContact CD2-CG2 3.69Å; Y159-I193 HydrophobicContact CG-CG2 4.17Å; F185-I193 HydrophobicContact CB-CD1 4.33Å; F185-I193 HydrophobicContact CB-CG1 3.96Å; F185-I193 HydrophobicContact CD1-CG1 4.06Å; F185-I193 HydrophobicContact CD2-CG1 4.15Å; F185-I193 HydrophobicContact CG-CG1 3.74Å; T189-I193 PolarHBondContact O-N 3.38Å; A190-I193 PolarHBondContact O-N 2.91Å; I193-A195 VanDerWaalsContact C-N 3.27Å; I193-A195 PolarHBondContact O-N 3.21Å; I193-S196 PolarHBondContact O-N 2.85Å; I193-S196 PolarHBondContact O-OG 3.4Å; I193-N197 WeakPolarHBondContact O-CB 3.41Å; I193-N197 PolarHBondContact O-N 3.29Å; I193-N197 VanDerWaalsContact O-N 3.08Å
194	A	95.3	Very high	90.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-39.6	176	0	0	0	0	0	111.2	A158 A190 L198 C199 V203 L206	A158-A194 HydrophobicContact CB-CB 4.28Å; A190-A194 PolarHBondContact O-N 2.88Å; A194-L198 PolarHBondContact O-N 3.42Å; A194-C199 HydrophobicContact CB-CB 3.99Å; A194-C199 PolarHBondContact O-N 2.85Å; A194-V203 HydrophobicContact CB-CG2 3.62Å; A194-L206 HydrophobicContact CB-CD1 4.23Å
195	A	94.9	Very high	91.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-42.1	178.3	0	0	0	0	0	113.6	L191 H192 I193 V203 P223 V226 V227 L247 L251	L191-A195 WeakPolarHBondContact O-CB 3.37Å; L191-A195 PolarHBondContact O-N 2.91Å; L191-A195 VanDerWaalsContact O-N 3.07Å; H192-A195 PolarHBondContact O-N 2.83Å; I193-A195 VanDerWaalsContact C-N 3.27Å; I193-A195 PolarHBondContact O-N 3.21Å; A195-V203 HydrophobicContact CB-CG2 4.46Å; A195-P223 HydrophobicContact CB-CB 4.36Å; A195-P223 WeakPolarHBondContact CB-O 3.42Å; A195-V226 HydrophobicContact CB-CG2 4.13Å; A195-V227 HydrophobicContact CB-CG2 4.12Å; A195-L247 HydrophobicContact CB-CD2 3.9Å; A195-L251 HydrophobicContact CB-CD1 3.67Å
196	S	93.4	Very high	91.5	Very high	21 Å²	21	16.9 Å²	16.9	15%	0.147	9%	0.089	C	C	.	.	H	α-helix	trans	-70.7	-32.4	178.3	63.2	0	0	0	0	113.6	F185 H192 I193 L198 P228	F185-S196 WeakPolarHBondContact CE2-OG 3.33Å; F185-S196 WeakPolarHBondContact CZ-OG 3.43Å; H192-S196 PolarHBondContact O-N 2.99Å; H192-S196 PolarHBondContact O-OG 3.16Å; I193-S196 PolarHBondContact O-N 2.85Å; I193-S196 PolarHBondContact O-OG 3.4Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-P228 WeakPolarHBondContact O-CD 3.38Å; S196-P228 WeakPolarHBondContact O-CG 3.06Å
197	N	91.5	Very high	91.5	Very high	42 Å²	42	14.7 Å²	14.7	23%	0.225	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2	-178	-70.9	9.9	0	0	0	113.4	Y159 I193 C199	Y159-N197 WeakPolarHBondContact CD2-ND2 3.37Å; Y159-N197 WeakPolarHBondContact CE2-ND2 3.4Å; Y159-N197 PolarHBondContact O-ND2 3.11Å; Y159-N197 VanDerWaalsContact O-ND2 3.11Å; I193-N197 WeakPolarHBondContact O-CB 3.41Å; I193-N197 PolarHBondContact O-N 3.29Å; I193-N197 VanDerWaalsContact O-N 3.08Å; N197-C199 VanDerWaalsContact C-N 3.28Å; N197-C199 WeakPolarHBondContact CB-SG 3.47Å; N197-C199 PolarHBondContact O-N 3.21Å
198	L	93.8	Very high	91.4	Very high	9 Å²	9	15.9 Å²	15.9	5%	0.047	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	29.5	-175.2	-53.7	177.9	0	0	0	114.2	A194 S196 L200 V227 P228 M233 A240 V243 A244	A194-L198 PolarHBondContact O-N 3.42Å; S196-L198 VanDerWaalsContact C-N 3.33Å; L198-L200 VanDerWaalsContact C-N 3.3Å; L198-L200 PolarHBondContact O-N 3.21Å; L198-V227 HydrophobicContact CD2-CG1 3.9Å; L198-P228 HydrophobicContact CD2-CG 4.25Å; L198-P228 HydrophobicContact CG-CG 4.37Å; L198-M233 HydrophobicContact CD1-CE 3.57Å; L198-A240 HydrophobicContact CD1-CB 4.03Å; L198-V243 HydrophobicContact CB-CG1 4.07Å; L198-A244 HydrophobicContact CD1-CB 4.28Å; L198-A244 HydrophobicContact CD2-CB 3.63Å
199	C	94.2	Very high	91	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.101	C	C	.	.			trans	-78.9	73.4	178.9	-58.2	0	0	0	0	110.7	A158 Y159 D161 A194 N197 G201 S202 V203	A158-C199 PolarHBondContact O-SG 2.87Å; Y159-C199 PolarHBondContact O-SG 3.37Å; D161-C199 HydrophobicContact CB-CB 3.61Å; D161-C199 VanDerWaalsContact CG-CA 3.47Å; D161-C199 VanDerWaalsContact CG-CB 3.46Å; D161-C199 VanDerWaalsContact OD2-CA 3.28Å; D161-C199 WeakPolarHBondContact OD2-CA 3.16Å; A194-C199 HydrophobicContact CB-CB 3.99Å; A194-C199 PolarHBondContact O-N 2.85Å; N197-C199 VanDerWaalsContact C-N 3.28Å; N197-C199 WeakPolarHBondContact CB-SG 3.47Å; N197-C199 PolarHBondContact O-N 3.21Å; C199-G201 VanDerWaalsContact C-N 3.34Å; C199-G201 PolarHBondContact O-N 3.28Å; C199-S202 PolarHBondContact O-N 3.16Å; C199-V203 WeakPolarHBondContact O-CG2 3.47Å; C199-V203 PolarHBondContact O-N 3.26Å
200	L	91.9	Very high	90.2	Very high	30 Å²	30	20.9 Å²	20.9	16%	0.157	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-42.8	-173	179.6	62.7	0	0	0	112.7	D161 L198 S202 V203 Q204 V243 E246 L247 L250	D161-L200 PolarHBondContact OD2-N 3.32Å; L198-L200 VanDerWaalsContact C-N 3.3Å; L198-L200 PolarHBondContact O-N 3.21Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.36Å; L200-V203 PolarHBondContact O-N 3.14Å; L200-Q204 HydrophobicContact CD1-CG 4.4Å; L200-Q204 WeakPolarHBondContact O-CG 3.33Å; L200-Q204 PolarHBondContact O-N 3.3Å; L200-V243 HydrophobicContact CB-CG1 4.11Å; L200-E246 HydrophobicContact CD1-CG 4.45Å; L200-L247 HydrophobicContact CD1-CB 4.23Å; L200-L247 HydrophobicContact CD1-CG 4.39Å; L200-L250 HydrophobicContact CD1-CD2 4.04Å
201	G	90.6	Very high	89.7	Confident	20 Å²	20	21.1 Å²	21.1	21%	0.206	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-39.8	179.9	0	0	0	0	0	111.9	C199 C205	C199-G201 VanDerWaalsContact C-N 3.34Å; C199-G201 PolarHBondContact O-N 3.28Å; G201-C205 VanDerWaalsContact O-CB 3.23Å; G201-C205 WeakPolarHBondContact O-CB 2.96Å; G201-C205 PolarHBondContact O-N 2.99Å
202	S	95	Very high	89	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.2	-36.9	176.8	-65.3	0	0	0	0	112.6	D161 V162 I166 C199 L200 C205 L206	D161-S202 WeakPolarHBondContact CA-OG 3.19Å; D161-S202 WeakPolarHBondContact OD1-CB 3.31Å; D161-S202 PolarHBondContact OD1-N 3.33Å; D161-S202 PolarHBondContact OD1-OG 3.03Å; V162-S202 PolarHBondContact N-OG 3.23Å; I166-S202 VanDerWaalsContact CD1-CB 3.47Å; I166-S202 VanDerWaalsContact CD1-OG 3.31Å; I166-S202 WeakPolarHBondContact CD1-OG 3.18Å; C199-S202 PolarHBondContact O-N 3.16Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.36Å; S202-C205 PolarHBondContact O-N 2.82Å; S202-L206 VanDerWaalsContact O-CB 3.26Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 WeakPolarHBondContact O-CD1 3.45Å; S202-L206 WeakPolarHBondContact O-CG 3.33Å; S202-L206 PolarHBondContact O-N 3.09Å
203	V	94.9	Very high	88.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-50.6	171.9	169.9	0	0	0	0	110.6	L191 A194 A195 C199 L200 C205 L206 L207 L247 L250 L251	L191-V203 HydrophobicContact CD1-CB 4.42Å; L191-V203 HydrophobicContact CD1-CG1 4.09Å; L191-V203 HydrophobicContact CD1-CG2 4.32Å; A194-V203 HydrophobicContact CB-CG2 3.62Å; A195-V203 HydrophobicContact CB-CG2 4.46Å; C199-V203 WeakPolarHBondContact O-CG2 3.47Å; C199-V203 PolarHBondContact O-N 3.26Å; L200-V203 PolarHBondContact O-N 3.14Å; V203-C205 PolarHBondContact O-N 3.44Å; V203-L206 PolarHBondContact O-N 3.24Å; V203-L207 HydrophobicContact CG1-CD1 3.85Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CB 3.44Å; V203-L207 VanDerWaalsContact O-CG 3.26Å; V203-L207 WeakPolarHBondContact O-CG 3.46Å; V203-L207 PolarHBondContact O-N 2.77Å; V203-L247 HydrophobicContact CB-CG 4.38Å; V203-L247 HydrophobicContact CG1-CG 4.34Å; V203-L247 HydrophobicContact CG2-CD1 3.92Å; V203-L247 HydrophobicContact CG2-CD2 4.1Å; V203-L247 HydrophobicContact CG2-CG 4.04Å; V203-L250 HydrophobicContact CG1-CD2 3.93Å; V203-L251 HydrophobicContact CG1-CD2 3.83Å; V203-L251 HydrophobicContact CG1-CG 4.12Å
204	Q	88.4	Confident	88.2	Confident	78 Å²	78	27.9 Å²	27.9	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-55.9	-51.3	175.9	-71.6	171.6	-8.4	0	0	111	L200 L206 L207 E208 L250	L200-Q204 HydrophobicContact CD1-CG 4.4Å; L200-Q204 WeakPolarHBondContact O-CG 3.33Å; L200-Q204 PolarHBondContact O-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.91Å; Q204-L207 PolarHBondContact O-N 2.95Å; Q204-E208 WeakPolarHBondContact O-CG 3.44Å; Q204-E208 PolarHBondContact O-N 3.32Å; Q204-L250 HydrophobicContact CG-CD2 3.59Å
205	C	88.3	Confident	87.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-42.6	179.6	-173	0	0	0	0	112.8	P163 I166 G201 S202 V203 E208 H209	P163-C205 HydrophobicContact CB-CB 4.05Å; I166-C205 HydrophobicContact CG2-CB 4.43Å; I166-C205 VanDerWaalsContact CG2-SG 3.58Å; G201-C205 VanDerWaalsContact O-CB 3.23Å; G201-C205 WeakPolarHBondContact O-CB 2.96Å; G201-C205 PolarHBondContact O-N 2.99Å; S202-C205 PolarHBondContact O-N 2.82Å; V203-C205 PolarHBondContact O-N 3.44Å; C205-E208 PolarHBondContact O-N 3.36Å; C205-H209 PolarHBondContact O-N 3.17Å; C205-H209 PolarHBondContact O-ND1 3.4Å
206	L	86.6	Confident	87.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-40.6	178.2	-74.1	167.1	0	0	0	111.6	L154 A158 I166 L170 L178 A190 L191 A194 S202 V203 Q204 H209 G210 A211	L154-L206 HydrophobicContact CD1-CD2 4.25Å; A158-L206 HydrophobicContact CB-CD1 4.06Å; I166-L206 HydrophobicContact CD1-CG 4.28Å; I166-L206 HydrophobicContact CG2-CD2 3.87Å; I166-L206 HydrophobicContact CG2-CG 4.26Å; L170-L206 HydrophobicContact CD1-CD2 4.45Å; L178-L206 HydrophobicContact CD1-CD2 3.99Å; A190-L206 HydrophobicContact CB-CD1 4.09Å; A190-L206 HydrophobicContact CB-CD2 4.3Å; L191-L206 HydrophobicContact CB-CD1 4.35Å; L191-L206 HydrophobicContact CD1-CB 4Å; L191-L206 HydrophobicContact CD1-CD1 4.32Å; A194-L206 HydrophobicContact CB-CD1 4.23Å; S202-L206 VanDerWaalsContact O-CB 3.26Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 WeakPolarHBondContact O-CD1 3.45Å; S202-L206 WeakPolarHBondContact O-CG 3.33Å; S202-L206 PolarHBondContact O-N 3.09Å; V203-L206 PolarHBondContact O-N 3.24Å; Q204-L206 PolarHBondContact O-N 2.91Å; L206-H209 CarbonylContact O-C 3.43Å; L206-H209 PolarHBondContact O-N 2.94Å; L206-G210 PolarHBondContact O-N 3.38Å; L206-A211 HydrophobicContact CB-CB 3.87Å; L206-A211 WeakPolarHBondContact O-CB 3.4Å; L206-A211 PolarHBondContact O-N 2.84Å
207	L	84.8	Confident	86.8	Confident	31 Å²	31	35.8 Å²	35.8	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-41.3	175.8	-68.1	171.4	0	0	0	112.2	L191 V203 Q204 H209 G210 P213 L250 L251	L191-L207 HydrophobicContact CD1-CD2 4.33Å; L191-L207 HydrophobicContact CD1-CG 4.24Å; L191-L207 HydrophobicContact CD2-CD2 3.97Å; V203-L207 HydrophobicContact CG1-CD1 3.85Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CB 3.44Å; V203-L207 VanDerWaalsContact O-CG 3.26Å; V203-L207 WeakPolarHBondContact O-CG 3.46Å; V203-L207 PolarHBondContact O-N 2.77Å; Q204-L207 PolarHBondContact O-N 2.95Å; L207-H209 PolarHBondContact O-N 3.28Å; L207-G210 PolarHBondContact O-N 3.35Å; L207-P213 HydrophobicContact CD2-CB 4.2Å; L207-P213 HydrophobicContact CD2-CG 4.26Å; L207-L250 HydrophobicContact CD1-CD1 4.36Å; L207-L250 HydrophobicContact CD1-CD2 4.26Å; L207-L250 HydrophobicContact CD1-CG 3.97Å; L207-L251 HydrophobicContact CD1-CD2 4.24Å; L207-L251 HydrophobicContact CD2-CD2 4.46Å
208	E	82.6	Confident	86.7	Confident	98 Å²	98	39.1 Å²	39.1	46%	0.458	21%	0.208	S	C	.	.	H	α-helix	trans	-54.7	-37.8	172.6	-76.1	169.9	-171.6	0	0	112.1	R167 Q204 C205 G210	R167-E208 IonicContact CZ-OE2 2.72Å; R167-E208 VanDerWaalsContact CZ-OE2 3.23Å; R167-E208 IonicContact NH1-OE2 3.82Å; R167-E208 PolarHBondContact NH1-OE2 2.96Å; R167-E208 IonicContact NH2-OE1 3.33Å; R167-E208 IonicContact NH2-OE2 3.69Å; R167-E208 PolarHBondContact NH2-OE2 2.94Å; Q204-E208 WeakPolarHBondContact O-CG 3.44Å; Q204-E208 PolarHBondContact O-N 3.32Å; C205-E208 PolarHBondContact O-N 3.36Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.19Å
209	H	78.3	Confident	86.4	Confident	72 Å²	72	44.6 Å²	44.6	33%	0.333	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.9	178.5	-63	70.8	0	0	0	113.4	L170 L178 C205 L206 L207	L170-H209 HydrophobicContact CD1-CB 3.52Å; L178-H209 VanDerWaalsContact CD2-O 3.29Å; L178-H209 WeakPolarHBondContact CD2-O 3.31Å; C205-H209 PolarHBondContact O-N 3.17Å; C205-H209 PolarHBondContact O-ND1 3.4Å; L206-H209 CarbonylContact O-C 3.43Å; L206-H209 PolarHBondContact O-N 2.94Å; L207-H209 PolarHBondContact O-N 3.28Å
210	G	75.8	Confident	86	Confident	34 Å²	34	46.3 Å²	46.3	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	23.3	172.9	0	0	0	0	0	115.6	L206 L207 E208 N212	L206-G210 PolarHBondContact O-N 3.38Å; L207-G210 PolarHBondContact O-N 3.35Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.19Å; G210-N212 PolarHBondContact O-N 2.88Å
211	A	83.1	Confident	85.9	Confident	6 Å²	6	47.7 Å²	47.7	5%	0.05	26%	0.255	C	S	.	.			trans	-57.8	136.5	169.7	0	0	0	0	0	109.7	L178 L191 L206 P213	L178-A211 HydrophobicContact CD1-CB 4.03Å; L178-A211 HydrophobicContact CG-CB 4.29Å; L191-A211 HydrophobicContact CB-CB 4.35Å; L191-A211 HydrophobicContact CD2-CB 3.99Å; L206-A211 HydrophobicContact CB-CB 3.87Å; L206-A211 WeakPolarHBondContact O-CB 3.4Å; L206-A211 PolarHBondContact O-N 2.84Å; A211-P213 VanDerWaalsContact O-CD 3.26Å; A211-P213 WeakPolarHBondContact O-CD 3.38Å
212	N	79	Confident	85.9	Confident	62 Å²	62	47 Å²	47	33%	0.332	25%	0.248	S	C	.	.			trans	-87.1	113.7	-174.6	177.4	14.1	0	0	0	111.3	G210 T214 V215	G210-N212 PolarHBondContact O-N 2.88Å; N212-T214 PolarHBondContact ND2-OG1 3.26Å; N212-T214 VanDerWaalsContact ND2-OG1 3.1Å; N212-T214 PolarHBondContact O-N 2.61Å; N212-T214 PolarHBondContact OD1-N 3.09Å; N212-T214 PolarHBondContact OD1-OG1 3.24Å; N212-V215 HydrophobicContact CB-CG2 3.82Å
213	P	85.3	Confident	85.8	Confident	13 Å²	13	47 Å²	47	8%	0.084	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.3	179.5	32.5	-35	0	0	0	114	L191 L207 A211 P223 L251 S254 V255	L191-P213 HydrophobicContact CD2-CB 4.2Å; L207-P213 HydrophobicContact CD2-CB 4.2Å; L207-P213 HydrophobicContact CD2-CG 4.26Å; A211-P213 VanDerWaalsContact O-CD 3.26Å; A211-P213 WeakPolarHBondContact O-CD 3.38Å; P213-P223 WeakPolarHBondContact O-CD 3.11Å; P213-L251 HydrophobicContact CB-CD2 4.4Å; P213-S254 VanDerWaalsContact CG-O 3.27Å; P213-S254 WeakPolarHBondContact CG-O 3.36Å; P213-V255 HydrophobicContact CB-CG2 4.22Å; P213-V255 HydrophobicContact CG-CG2 4.31Å
214	T	84.6	Confident	85.7	Confident	68 Å²	68	47.5 Å²	47.5	42%	0.417	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.9	176.6	71.5	0	0	0	0	114.3	N212 R216 V255	N212-T214 PolarHBondContact ND2-OG1 3.26Å; N212-T214 VanDerWaalsContact ND2-OG1 3.1Å; N212-T214 PolarHBondContact O-N 2.61Å; N212-T214 PolarHBondContact OD1-N 3.09Å; N212-T214 PolarHBondContact OD1-OG1 3.24Å; T214-R216 PolarHBondContact O-N 2.79Å; T214-V255 HydrophobicContact CG2-CG1 4.15Å; T214-V255 HydrophobicContact CG2-CG2 4.27Å
215	V	81.8	Confident	86	Confident	35 Å²	35	48.1 Å²	48.1	21%	0.212	26%	0.255	C	S	.	.			trans	-59.6	133	175.2	177.5	0	0	0	0	109	T189 H192 N212 P223	T189-V215 HydrophobicContact CG2-CG1 3.96Å; H192-V215 PolarHBondContact CE1-O 3.06Å; H192-V215 PolarHBondContact NE2-O 3.11Å; N212-V215 HydrophobicContact CB-CG2 3.82Å; V215-P223 WeakPolarHBondContact O-CD 3.28Å
216	R	86.4	Confident	86.2	Confident	143 Å²	143	49.2 Å²	49.2	54%	0.54	26%	0.261	S	S	.	.			trans	-106.3	138.9	175.6	-69.1	179.4	176.1	-74.8	-10.3	110.4	T214 G220 Q221 E225	T214-R216 PolarHBondContact O-N 2.79Å; R216-G220 VanDerWaalsContact CD-O 3.28Å; R216-G220 WeakPolarHBondContact CD-O 3.49Å; R216-G220 PolarHBondContact NH1-O 2.99Å; R216-Q221 CarbonylContact C-O 3.56Å; R216-Q221 VanDerWaalsContact CA-O 3.31Å; R216-Q221 WeakPolarHBondContact CA-O 3.44Å; R216-E225 IonicContact CZ-OE1 2.66Å; R216-E225 IonicContact CZ-OE2 2.78Å; R216-E225 VanDerWaalsContact NH1-CD 3.27Å; R216-E225 IonicContact NH1-OE1 3.6Å; R216-E225 PolarHBondContact NH1-OE1 3.36Å; R216-E225 IonicContact NH1-OE2 3.89Å; R216-E225 PolarHBondContact NH1-OE2 2.88Å; R216-E225 IonicContact NH2-OE1 3.81Å; R216-E225 PolarHBondContact NH2-OE1 3.42Å
217	N	86.1	Confident	86.6	Confident	9 Å²	9	49.6 Å²	49.6	5%	0.048	26%	0.264	C	S	.	.			trans	-78.7	-179.1	172.9	76.7	5.5	0	0	0	111.4	H186 K219 G220 Q221	H186-N217 WeakPolarHBondContact O-CB 3.37Å; N217-K219 PolarHBondContact O-N 2.59Å; N217-K219 VanDerWaalsContact O-N 3.16Å; N217-K219 WeakPolarHBondContact OD1-CA 3.38Å; N217-K219 WeakPolarHBondContact OD1-CB 3.37Å; N217-K219 PolarHBondContact OD1-N 2.86Å; N217-G220 WeakPolarHBondContact O-CA 3.35Å; N217-G220 PolarHBondContact O-N 3.09Å; N217-G220 PolarHBondContact OD1-N 3.27Å; N217-Q221 PolarHBondContact N-O 2.64Å; N217-Q221 WeakPolarHBondContact OD1-CB 3.46Å; N217-Q221 PolarHBondContact OD1-N 2.78Å; N217-Q221 PolarHBondContact OD1-O 3Å
218	D	88.8	Confident	86.9	Confident	113 Å²	113	50.2 Å²	50.2	60%	0.604	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.7	-179.3	-74	-4.6	0	0	0	114.2	H186 H187 G220	H186-D218 HydrophobicContact CB-CB 4.36Å; H186-D218 WeakPolarHBondContact O-CB 3.19Å; H186-D218 PolarHBondContact O-N 3.18Å; H187-D218 IonicContact CE1-OD2 2.89Å; H187-D218 IonicContact CG-OD1 2.92Å; H187-D218 IonicContact CG-OD2 2.8Å; H187-D218 VanDerWaalsContact ND1-CG 3.34Å; H187-D218 IonicContact ND1-OD1 3.39Å; H187-D218 PolarHBondContact ND1-OD1 3.14Å; H187-D218 IonicContact ND1-OD2 3.89Å; H187-D218 PolarHBondContact ND1-OD2 2.83Å; D218-G220 PolarHBondContact O-N 2.97Å
219	K	87.8	Confident	87.2	Confident	124 Å²	124	48.7 Å²	48.7	54%	0.539	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	4.4	174.1	-66.7	177.2	168.4	170.9	0	112.2	H186 N217 Q221	H186-K219 HydrophobicContact CB-CG 4.44Å; H186-K219 PolarHBondContact CD2-NZ 3.41Å; H186-K219 VanDerWaalsContact NE2-CE 3.27Å; H186-K219 WeakPolarHBondContact NE2-CE 3.44Å; H186-K219 PolarHBondContact NE2-NZ 3.07Å; N217-K219 PolarHBondContact O-N 2.59Å; N217-K219 VanDerWaalsContact O-N 3.16Å; N217-K219 WeakPolarHBondContact OD1-CA 3.38Å; N217-K219 WeakPolarHBondContact OD1-CB 3.37Å; N217-K219 PolarHBondContact OD1-N 2.86Å; K219-Q221 HydrophobicContact CB-CG 3.87Å; K219-Q221 PolarHBondContact O-N 2.85Å
220	G	86.4	Confident	87.6	Confident	36 Å²	36	46.5 Å²	46.5	37%	0.371	26%	0.257	S	S	.	.	S	Bend	trans	69.3	12.8	-170.5	0	0	0	0	0	113.2	R216 N217 D218	R216-G220 VanDerWaalsContact CD-O 3.28Å; R216-G220 WeakPolarHBondContact CD-O 3.49Å; R216-G220 PolarHBondContact NH1-O 2.99Å; N217-G220 WeakPolarHBondContact O-CA 3.35Å; N217-G220 PolarHBondContact O-N 3.09Å; N217-G220 PolarHBondContact OD1-N 3.27Å; D218-G220 PolarHBondContact O-N 2.97Å
221	Q	89.9	Confident	88.1	Confident	60 Å²	60	52.4 Å²	52.4	28%	0.28	28%	0.277	S	S	.	.			trans	-91	137	-174.4	-59.7	179.1	-83.2	0	0	111.8	H192 R216 N217 K219 E225 V226	H192-Q221 PolarHBondContact NE2-O 3.35Å; H192-Q221 VanDerWaalsContact NE2-O 3.16Å; R216-Q221 CarbonylContact C-O 3.56Å; R216-Q221 VanDerWaalsContact CA-O 3.31Å; R216-Q221 WeakPolarHBondContact CA-O 3.44Å; N217-Q221 PolarHBondContact N-O 2.64Å; N217-Q221 WeakPolarHBondContact OD1-CB 3.46Å; N217-Q221 PolarHBondContact OD1-N 2.78Å; N217-Q221 PolarHBondContact OD1-O 3Å; K219-Q221 HydrophobicContact CB-CG 3.87Å; K219-Q221 PolarHBondContact O-N 2.85Å; Q221-E225 WeakPolarHBondContact CA-OE2 3.34Å; Q221-E225 HydrophobicContact CB-CB 4.28Å; Q221-E225 PolarHBondContact NE2-O 3.21Å; Q221-V226 HydrophobicContact CB-CG1 3.89Å
222	G	90.3	Very high	88.2	Confident	5 Å²	5	58.9 Å²	58.9	5%	0.052	31%	0.31	C	S	.	.			trans	-87.5	169.2	168.7	0	0	0	0	0	113.6	A224 E225 V226	G222-A224 VanDerWaalsContact C-N 3.32Å; G222-A224 PolarHBondContact O-N 2.99Å; G222-E225 PolarHBondContact N-OE2 3.47Å; G222-E225 WeakPolarHBondContact O-CA 3.38Å; G222-E225 WeakPolarHBondContact O-CB 3.33Å; G222-E225 PolarHBondContact O-N 3.12Å; G222-V226 PolarHBondContact O-N 3.44Å
223	P	92.3	Very high	88.4	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-51.6	-42.8	177.8	-30.8	36.8	0	0	0	114.5	L191 A195 P213 V215 E225 V226 V227 L251	L191-P223 HydrophobicContact CB-CG 4.47Å; L191-P223 HydrophobicContact CD2-CB 4.28Å; L191-P223 HydrophobicContact CD2-CG 3.93Å; L191-P223 HydrophobicContact CG-CB 4.06Å; L191-P223 HydrophobicContact CG-CG 4.01Å; A195-P223 HydrophobicContact CB-CB 4.36Å; A195-P223 WeakPolarHBondContact CB-O 3.42Å; P213-P223 WeakPolarHBondContact O-CD 3.11Å; V215-P223 WeakPolarHBondContact O-CD 3.28Å; P223-E225 PolarHBondContact O-N 3.1Å; P223-V226 VanDerWaalsContact O-CG2 3.25Å; P223-V226 WeakPolarHBondContact O-CG2 3.18Å; P223-V226 PolarHBondContact O-N 2.91Å; P223-V227 WeakPolarHBondContact O-CG2 3.45Å; P223-L251 HydrophobicContact CB-CD1 3.87Å; P223-L251 HydrophobicContact CB-CD2 4.03Å
224	A	94.1	Very high	88.3	Confident	10 Å²	10	60.4 Å²	60.4	8%	0.083	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-66.3	-21	178.4	0	0	0	0	0	113.5	G222 L251 L252	G222-A224 VanDerWaalsContact C-N 3.32Å; G222-A224 PolarHBondContact O-N 2.99Å; A224-L251 HydrophobicContact CB-CB 3.79Å; A224-L252 HydrophobicContact CB-CD2 4.03Å; A224-L252 HydrophobicContact CB-CG 4.16Å
225	E	93.4	Very high	87.9	Confident	92 Å²	92	65.4 Å²	65.4	43%	0.43	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-94.5	-12.4	-176.2	-58.9	166.4	-172.9	0	0	112.1	R216 Q221 G222 P223	R216-E225 IonicContact CZ-OE1 2.66Å; R216-E225 IonicContact CZ-OE2 2.78Å; R216-E225 VanDerWaalsContact NH1-CD 3.27Å; R216-E225 IonicContact NH1-OE1 3.6Å; R216-E225 PolarHBondContact NH1-OE1 3.36Å; R216-E225 IonicContact NH1-OE2 3.89Å; R216-E225 PolarHBondContact NH1-OE2 2.88Å; R216-E225 IonicContact NH2-OE1 3.81Å; R216-E225 PolarHBondContact NH2-OE1 3.42Å; Q221-E225 WeakPolarHBondContact CA-OE2 3.34Å; Q221-E225 HydrophobicContact CB-CB 4.28Å; Q221-E225 PolarHBondContact NE2-O 3.21Å; G222-E225 PolarHBondContact N-OE2 3.47Å; G222-E225 WeakPolarHBondContact O-CA 3.38Å; G222-E225 WeakPolarHBondContact O-CB 3.33Å; G222-E225 PolarHBondContact O-N 3.12Å; P223-E225 PolarHBondContact O-N 3.1Å
226	V	93.7	Very high	87.8	Confident	22 Å²	22	69.6 Å²	69.6	13%	0.133	36%	0.364	C	S	.	.	S	Bend	trans	-97.6	-2.9	172.7	-58.1	0	0	0	0	113.7	F185 H192 A195 Q221 G222 P223	F185-V226 HydrophobicContact CE1-CG2 4.45Å; H192-V226 HydrophobicContact CB-CG2 4.27Å; H192-V226 WeakPolarHBondContact O-CG2 3.43Å; A195-V226 HydrophobicContact CB-CG2 4.13Å; Q221-V226 HydrophobicContact CB-CG1 3.89Å; G222-V226 PolarHBondContact O-N 3.44Å; P223-V226 VanDerWaalsContact O-CG2 3.25Å; P223-V226 WeakPolarHBondContact O-CG2 3.18Å; P223-V226 PolarHBondContact O-N 2.91Å
227	V	94.1	Very high	87.7	Confident	9 Å²	9	66 Å²	66	6%	0.055	35%	0.352	C	S	.	.	S	Bend	trans	-66.1	126.9	172.4	-170.5	0	0	0	0	109.4	A195 L198 P223 D229 A244 L247 K248 L251	A195-V227 HydrophobicContact CB-CG2 4.12Å; L198-V227 HydrophobicContact CD2-CG1 3.9Å; P223-V227 WeakPolarHBondContact O-CG2 3.45Å; V227-D229 PolarHBondContact O-N 2.81Å; V227-A244 HydrophobicContact CG1-CB 4.11Å; V227-A244 WeakPolarHBondContact CG1-O 3.2Å; V227-L247 HydrophobicContact CG1-CD2 4.26Å; V227-L247 HydrophobicContact CG2-CD2 3.56Å; V227-K248 HydrophobicContact CB-CB 4.41Å; V227-K248 HydrophobicContact CG1-CB 4.31Å; V227-K248 HydrophobicContact CG2-CB 4.38Å; V227-L251 HydrophobicContact CG2-CD1 3.93Å
228	P	91.9	Very high	87.6	Confident	44 Å²	44	68.4 Å²	68.4	29%	0.286	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-50.5	137.1	174	-28.5	34	0	0	0	112.5	S196 L198 P230 M233	S196-P228 WeakPolarHBondContact O-CD 3.38Å; S196-P228 WeakPolarHBondContact O-CG 3.06Å; L198-P228 HydrophobicContact CD2-CG 4.25Å; L198-P228 HydrophobicContact CG-CG 4.37Å; P228-P230 WeakPolarHBondContact O-CD 3.46Å; P228-M233 HydrophobicContact CB-CE 4.11Å
229	D	88.6	Confident	87.4	Confident	66 Å²	66	70 Å²	70	35%	0.353	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-71.4	125.9	178	-160.2	-60.1	0	0	0	110.4	V227 M231 D232	V227-D229 PolarHBondContact O-N 2.81Å; D229-M231 PolarHBondContact O-N 3.5Å; D229-M231 VanDerWaalsContact O-N 3.07Å; D229-M231 VanDerWaalsContact OD1-CB 3.32Å; D229-M231 WeakPolarHBondContact OD1-CB 3.3Å; D229-M231 WeakPolarHBondContact OD1-CG 3.31Å; D229-M231 PolarHBondContact OD1-N 3Å; D229-D232 PolarHBondContact O-N 3.4Å
230	P	87.3	Confident	87.3	Confident	26 Å²	26	64.7 Å²	64.7	17%	0.169	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.5	174.5	-27	35	0	0	0	114.5	P228 A241 A244 K245	P228-P230 WeakPolarHBondContact O-CD 3.46Å; P230-A241 HydrophobicContact CB-CB 4.1Å; P230-A244 HydrophobicContact CG-CB 4.01Å; P230-K245 HydrophobicContact CG-CB 4.21Å
231	M	84.6	Confident	87.5	Confident	157 Å²	157	64 Å²	64	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-24	179.1	-59.4	-63.8	92.6	0	0	113.5	D229 M233	D229-M231 PolarHBondContact O-N 3.5Å; D229-M231 VanDerWaalsContact O-N 3.07Å; D229-M231 VanDerWaalsContact OD1-CB 3.32Å; D229-M231 WeakPolarHBondContact OD1-CB 3.3Å; D229-M231 WeakPolarHBondContact OD1-CG 3.31Å; D229-M231 PolarHBondContact OD1-N 3Å; M231-M233 VanDerWaalsContact C-N 3.27Å
232	D	85.1	Confident	87.5	Confident	142 Å²	142	67.2 Å²	67.2	76%	0.759	36%	0.364	S	S	*	.	S	Bend	trans	-83.6	-6.9	175.8	-67.6	-29.5	0	0	0	112.1	D229	D229-D232 PolarHBondContact O-N 3.4Å
233	M	84.6	Confident	87.5	Confident	44 Å²	44	68.6 Å²	68.6	22%	0.217	37%	0.371	C	S	.	.	S	Bend	trans	-81.9	143.2	178.9	-63.9	-157.1	143.6	0	0	112.6	L198 P228 M231 K237 A240 A241	L198-M233 HydrophobicContact CD1-CE 3.57Å; P228-M233 HydrophobicContact CB-CE 4.11Å; M231-M233 VanDerWaalsContact C-N 3.27Å; M233-K237 HydrophobicContact CB-CB 4.46Å; M233-A240 HydrophobicContact CE-CB 4.02Å; M233-A240 VanDerWaalsContact SD-C 3.6Å; M233-A240 HydrophobicContact SD-CB 3.92Å; M233-A241 HydrophobicContact CB-CB 4.26Å; M233-A241 VanDerWaalsContact SD-CA 3.58Å; M233-A241 HydrophobicContact SD-CB 3.9Å; M233-A241 PolarHBondContact SD-N 3.14Å; M233-A241 VanDerWaalsContact SD-N 3.39Å
234	T	82.8	Confident	87.5	Confident	63 Å²	63	68.6 Å²	68.6	39%	0.387	37%	0.371	S	S	.	.			trans	-75.8	153.7	176.2	53.7	0	0	0	0	111.3	D236 K237	T234-D236 WeakPolarHBondContact CB-OD1 3.41Å; T234-D236 PolarHBondContact O-N 3.28Å; T234-D236 VanDerWaalsContact O-N 3.16Å; T234-D236 PolarHBondContact OG1-OD1 2.92Å; T234-K237 WeakPolarHBondContact O-CA 3.34Å; T234-K237 WeakPolarHBondContact O-CB 3.28Å; T234-K237 PolarHBondContact O-N 3.2Å
235	L	75.9	Confident	87.4	Confident	173 Å²	173	74.8 Å²	74.8	91%	0.906	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-59.8	-28.2	-172.8	-75.6	163.4	0	0	0	114.3	K237 A238	L235-K237 PolarHBondContact O-N 3.48Å; L235-A238 PolarHBondContact O-N 3.42Å
236	D	80.1	Confident	87.4	Confident	124 Å²	124	75.1 Å²	75.1	66%	0.663	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-67.3	-12.9	172.5	57.5	-57	0	0	0	113.6	T234	T234-D236 WeakPolarHBondContact CB-OD1 3.41Å; T234-D236 PolarHBondContact O-N 3.28Å; T234-D236 VanDerWaalsContact O-N 3.16Å; T234-D236 PolarHBondContact OG1-OD1 2.92Å
237	K	84.1	Confident	87.4	Confident	66 Å²	66	74.1 Å²	74.1	29%	0.287	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-106.1	27.1	179	-60.3	-175.9	179.9	-177.1	0	113	M233 T234 L235 E239 A240 A241	M233-K237 HydrophobicContact CB-CB 4.46Å; T234-K237 WeakPolarHBondContact O-CA 3.34Å; T234-K237 WeakPolarHBondContact O-CB 3.28Å; T234-K237 PolarHBondContact O-N 3.2Å; L235-K237 PolarHBondContact O-N 3.48Å; K237-E239 PolarHBondContact O-N 3.1Å; K237-A240 HydrophobicContact CB-CB 4.32Å; K237-A240 PolarHBondContact O-N 3Å; K237-A241 PolarHBondContact O-N 3.2Å
238	A	84.4	Confident	87.3	Confident	60 Å²	60	77 Å²	77	50%	0.496	40%	0.403	S	S	.	.	H	α-helix	trans	-52.2	-39.2	-179.7	0	0	0	0	0	113.2	L235 A241 M242	L235-A238 PolarHBondContact O-N 3.42Å; A238-A241 PolarHBondContact O-N 2.96Å; A238-M242 WeakPolarHBondContact O-CG 3.14Å; A238-M242 PolarHBondContact O-N 2.86Å
239	E	83.9	Confident	87.3	Confident	148 Å²	148	79.7 Å²	79.7	69%	0.692	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-48.4	174.7	-64.6	175.9	169.3	0	0	112	K237 A241 M242 V243	K237-E239 PolarHBondContact O-N 3.1Å; E239-A241 VanDerWaalsContact C-N 3.29Å; E239-A241 PolarHBondContact O-N 3.48Å; E239-M242 WeakPolarHBondContact O-CB 3.34Å; E239-M242 PolarHBondContact O-N 3.37Å; E239-V243 WeakPolarHBondContact O-CG2 3.25Å; E239-V243 PolarHBondContact O-N 3.39Å
240	A	86.4	Confident	87.4	Confident	12 Å²	12	79 Å²	79	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-65.8	-32.8	178.1	0	0	0	0	0	112.1	L198 M233 K237 V243 A244	L198-A240 HydrophobicContact CD1-CB 4.03Å; M233-A240 HydrophobicContact CE-CB 4.02Å; M233-A240 VanDerWaalsContact SD-C 3.6Å; M233-A240 HydrophobicContact SD-CB 3.92Å; K237-A240 HydrophobicContact CB-CB 4.32Å; K237-A240 PolarHBondContact O-N 3Å; A240-V243 PolarHBondContact O-N 3.23Å; A240-A244 VanDerWaalsContact O-CB 3.27Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.38Å
241	A	89.3	Confident	87.5	Confident	20 Å²	20	77.8 Å²	77.8	17%	0.165	40%	0.4	C	S	.	.	H	α-helix	trans	-68.1	-35.5	174.3	0	0	0	0	0	112.1	P230 M233 K237 A238 E239 K245	P230-A241 HydrophobicContact CB-CB 4.1Å; M233-A241 HydrophobicContact CB-CB 4.26Å; M233-A241 VanDerWaalsContact SD-CA 3.58Å; M233-A241 HydrophobicContact SD-CB 3.9Å; M233-A241 PolarHBondContact SD-N 3.14Å; M233-A241 VanDerWaalsContact SD-N 3.39Å; K237-A241 PolarHBondContact O-N 3.2Å; A238-A241 PolarHBondContact O-N 2.96Å; E239-A241 VanDerWaalsContact C-N 3.29Å; E239-A241 PolarHBondContact O-N 3.48Å; A241-K245 WeakPolarHBondContact O-CB 3.46Å; A241-K245 PolarHBondContact O-N 2.91Å; A241-K245 VanDerWaalsContact O-N 3.07Å
242	M	89.9	Confident	87.5	Confident	129 Å²	129	74.6 Å²	74.6	64%	0.635	39%	0.386	S	S	*	.	H	α-helix	trans	-66.9	-46.7	171.5	-71.7	-66.8	-67.5	0	0	111.4	A238 E239 A244 K245 E246	A238-M242 WeakPolarHBondContact O-CG 3.14Å; A238-M242 PolarHBondContact O-N 2.86Å; E239-M242 WeakPolarHBondContact O-CB 3.34Å; E239-M242 PolarHBondContact O-N 3.37Å; M242-A244 PolarHBondContact O-N 2.8Å; M242-K245 WeakPolarHBondContact O-CB 3.28Å; M242-K245 PolarHBondContact O-N 2.7Å; M242-E246 PolarHBondContact O-N 2.92Å
243	V	91.3	Very high	87.4	Confident	33 Å²	33	72.9 Å²	72.9	20%	0.2	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-43.7	174.9	174.8	0	0	0	0	111.2	L198 L200 E239 A240 K245 E246 L247	L198-V243 HydrophobicContact CB-CG1 4.07Å; L200-V243 HydrophobicContact CB-CG1 4.11Å; E239-V243 WeakPolarHBondContact O-CG2 3.25Å; E239-V243 PolarHBondContact O-N 3.39Å; A240-V243 PolarHBondContact O-N 3.23Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 3.03Å; V243-E246 PolarHBondContact O-N 2.76Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 PolarHBondContact O-N 2.93Å
244	A	91.9	Very high	86.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-41.4	176.3	0	0	0	0	0	112.4	L198 V227 P230 A240 M242 K248	L198-A244 HydrophobicContact CD1-CB 4.28Å; L198-A244 HydrophobicContact CD2-CB 3.63Å; V227-A244 HydrophobicContact CG1-CB 4.11Å; V227-A244 WeakPolarHBondContact CG1-O 3.2Å; P230-A244 HydrophobicContact CG-CB 4.01Å; A240-A244 VanDerWaalsContact O-CB 3.27Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.38Å; M242-A244 PolarHBondContact O-N 2.8Å; A244-K248 WeakPolarHBondContact O-CB 3.34Å; A244-K248 PolarHBondContact O-N 3.16Å
245	K	92.1	Very high	85.6	Confident	140 Å²	140	71.8 Å²	71.8	61%	0.609	37%	0.374	S	S	*	.	H	α-helix	trans	-64.4	-47	174.4	-177.3	-174.2	174	-171	0	111.9	P230 A241 M242 V243 Q249	P230-K245 HydrophobicContact CG-CB 4.21Å; A241-K245 WeakPolarHBondContact O-CB 3.46Å; A241-K245 PolarHBondContact O-N 2.91Å; A241-K245 VanDerWaalsContact O-N 3.07Å; M242-K245 WeakPolarHBondContact O-CB 3.28Å; M242-K245 PolarHBondContact O-N 2.7Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 3.03Å; K245-Q249 WeakPolarHBondContact O-CB 3.36Å; K245-Q249 PolarHBondContact O-N 3.02Å
246	E	94.1	Very high	84.2	Confident	100 Å²	100	68 Å²	68	47%	0.467	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-48.6	178.9	-179.4	178.5	175.6	0	0	111.7	L200 M242 V243 K248 Q249 L250	L200-E246 HydrophobicContact CD1-CG 4.45Å; M242-E246 PolarHBondContact O-N 2.92Å; V243-E246 PolarHBondContact O-N 2.76Å; E246-K248 PolarHBondContact O-N 3.37Å; E246-Q249 WeakPolarHBondContact O-CB 3.44Å; E246-Q249 PolarHBondContact O-N 3.37Å; E246-Q249 VanDerWaalsContact O-N 3.17Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 PolarHBondContact O-N 3.33Å
247	L	93.6	Very high	82	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-41.2	-178.7	-166.3	162.3	0	0	0	111	A195 L200 V203 V227 V243 Q249 L250 L251	A195-L247 HydrophobicContact CB-CD2 3.9Å; L200-L247 HydrophobicContact CD1-CB 4.23Å; L200-L247 HydrophobicContact CD1-CG 4.39Å; V203-L247 HydrophobicContact CB-CG 4.38Å; V203-L247 HydrophobicContact CG1-CG 4.34Å; V203-L247 HydrophobicContact CG2-CD1 3.92Å; V203-L247 HydrophobicContact CG2-CD2 4.1Å; V203-L247 HydrophobicContact CG2-CG 4.04Å; V227-L247 HydrophobicContact CG1-CD2 4.26Å; V227-L247 HydrophobicContact CG2-CD2 3.56Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 PolarHBondContact O-N 2.93Å; L247-Q249 VanDerWaalsContact C-N 3.35Å; L247-Q249 PolarHBondContact O-N 3.24Å; L247-L250 PolarHBondContact O-N 3.27Å; L247-L251 HydrophobicContact CD2-CD1 3.44Å; L247-L251 VanDerWaalsContact CD2-CD1 3.44Å; L247-L251 HydrophobicContact CD2-CG 4.13Å; L247-L251 WeakPolarHBondContact O-CB 3.2Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 2.93Å
248	K	92.4	Very high	79.6	Confident	70 Å²	70	71.9 Å²	71.9	30%	0.304	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-41	173.4	-170	168.7	-171.6	167.5	0	111.8	V227 A244 E246 L252	V227-K248 HydrophobicContact CB-CB 4.41Å; V227-K248 HydrophobicContact CG1-CB 4.31Å; V227-K248 HydrophobicContact CG2-CB 4.38Å; A244-K248 WeakPolarHBondContact O-CB 3.34Å; A244-K248 PolarHBondContact O-N 3.16Å; E246-K248 PolarHBondContact O-N 3.37Å; K248-L252 HydrophobicContact CG-CD1 4.24Å; K248-L252 WeakPolarHBondContact O-CB 3.22Å; K248-L252 VanDerWaalsContact O-CG 3.24Å; K248-L252 WeakPolarHBondContact O-CG 3.4Å; K248-L252 PolarHBondContact O-N 3.47Å
249	Q	90.4	Very high	76.9	Confident	101 Å²	101	72.8 Å²	72.8	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-64.3	-49.6	175	-172.5	62.3	52.7	0	0	111.2	K245 E246 L247 L251 L252 D253	K245-Q249 WeakPolarHBondContact O-CB 3.36Å; K245-Q249 PolarHBondContact O-N 3.02Å; E246-Q249 WeakPolarHBondContact O-CB 3.44Å; E246-Q249 PolarHBondContact O-N 3.37Å; E246-Q249 VanDerWaalsContact O-N 3.17Å; L247-Q249 VanDerWaalsContact C-N 3.35Å; L247-Q249 PolarHBondContact O-N 3.24Å; Q249-L251 VanDerWaalsContact C-N 3.3Å; Q249-L251 PolarHBondContact O-N 2.92Å; Q249-L252 CarbonylContact O-C 3.6Å; Q249-L252 PolarHBondContact O-N 3.44Å; Q249-L252 VanDerWaalsContact O-N 3.07Å; Q249-D253 WeakPolarHBondContact CG-OD2 3.36Å; Q249-D253 VanDerWaalsContact NE2-CG 3.25Å; Q249-D253 PolarHBondContact NE2-OD1 3.43Å; Q249-D253 PolarHBondContact NE2-OD2 3.23Å; Q249-D253 WeakPolarHBondContact O-CB 3.47Å; Q249-D253 VanDerWaalsContact O-CG 3.28Å; Q249-D253 PolarHBondContact O-N 2.93Å
250	L	91.4	Very high	74.3	Confident	51 Å²	51	72.7 Å²	72.7	27%	0.267	40%	0.399	S	S	.	.	H	α-helix	trans	-56.1	-41.1	176.8	176.4	65	0	0	0	112.6	L200 V203 Q204 L207 E246 L247 S254	L200-L250 HydrophobicContact CD1-CD2 4.04Å; V203-L250 HydrophobicContact CG1-CD2 3.93Å; Q204-L250 HydrophobicContact CG-CD2 3.59Å; L207-L250 HydrophobicContact CD1-CD1 4.36Å; L207-L250 HydrophobicContact CD1-CD2 4.26Å; L207-L250 HydrophobicContact CD1-CG 3.97Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 PolarHBondContact O-N 3.33Å; L247-L250 PolarHBondContact O-N 3.27Å; L250-S254 WeakPolarHBondContact O-CB 3.5Å; L250-S254 PolarHBondContact O-N 3.36Å; L250-S254 PolarHBondContact O-OG 3.06Å
251	L	88.8	Confident	71.6	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-69.9	-38.4	176.1	-72.6	173.5	0	0	0	112.3	L191 A195 V203 L207 P213 P223 A224 V227 L247 Q249 S254 V255	L191-L251 HydrophobicContact CD1-CD2 4.07Å; L191-L251 HydrophobicContact CD2-CD2 4.25Å; L191-L251 HydrophobicContact CG-CD2 4.25Å; A195-L251 HydrophobicContact CB-CD1 3.67Å; V203-L251 HydrophobicContact CG1-CD2 3.83Å; V203-L251 HydrophobicContact CG1-CG 4.12Å; L207-L251 HydrophobicContact CD1-CD2 4.24Å; L207-L251 HydrophobicContact CD2-CD2 4.46Å; P213-L251 HydrophobicContact CB-CD2 4.4Å; P223-L251 HydrophobicContact CB-CD1 3.87Å; P223-L251 HydrophobicContact CB-CD2 4.03Å; A224-L251 HydrophobicContact CB-CB 3.79Å; V227-L251 HydrophobicContact CG2-CD1 3.93Å; L247-L251 HydrophobicContact CD2-CD1 3.44Å; L247-L251 VanDerWaalsContact CD2-CD1 3.44Å; L247-L251 HydrophobicContact CD2-CG 4.13Å; L247-L251 WeakPolarHBondContact O-CB 3.2Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 2.93Å; Q249-L251 VanDerWaalsContact C-N 3.3Å; Q249-L251 PolarHBondContact O-N 2.92Å; L251-S254 WeakPolarHBondContact CA-OG 3.49Å; L251-S254 PolarHBondContact O-N 3.21Å; L251-S254 PolarHBondContact O-OG 3.13Å; L251-V255 WeakPolarHBondContact O-CG2 3.38Å; L251-V255 PolarHBondContact O-N 2.94Å
252	L	86.1	Confident	68.8	Low	90 Å²	90	84.6 Å²	84.6	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-69.8	-34.6	175.4	-70.3	170.3	0	0	0	112.8	A224 K248 Q249	A224-L252 HydrophobicContact CB-CD2 4.03Å; A224-L252 HydrophobicContact CB-CG 4.16Å; K248-L252 HydrophobicContact CG-CD1 4.24Å; K248-L252 WeakPolarHBondContact O-CB 3.22Å; K248-L252 VanDerWaalsContact O-CG 3.24Å; K248-L252 WeakPolarHBondContact O-CG 3.4Å; K248-L252 PolarHBondContact O-N 3.47Å; Q249-L252 CarbonylContact O-C 3.6Å; Q249-L252 PolarHBondContact O-N 3.44Å; Q249-L252 VanDerWaalsContact O-N 3.07Å
253	D	81.6	Confident	66.1	Low	106 Å²	106	87.1 Å²	87.1	57%	0.567	47%	0.466	S	S	*	.	H	α-helix	trans	-76.4	-24.5	177	-66.6	-24.5	0	0	0	112.4	Q249	Q249-D253 WeakPolarHBondContact CG-OD2 3.36Å; Q249-D253 VanDerWaalsContact NE2-CG 3.25Å; Q249-D253 PolarHBondContact NE2-OD1 3.43Å; Q249-D253 PolarHBondContact NE2-OD2 3.23Å; Q249-D253 WeakPolarHBondContact O-CB 3.47Å; Q249-D253 VanDerWaalsContact O-CG 3.28Å; Q249-D253 PolarHBondContact O-N 2.93Å
254	S	72.5	Confident	63.4	Low	38 Å²	38	89.9 Å²	89.9	27%	0.266	49%	0.493	S	S	.	.	H	α-helix	trans	-89	-17	173.9	56.8	0	0	0	0	113.8	P213 L250 L251 P256	P213-S254 VanDerWaalsContact CG-O 3.27Å; P213-S254 WeakPolarHBondContact CG-O 3.36Å; L250-S254 WeakPolarHBondContact O-CB 3.5Å; L250-S254 PolarHBondContact O-N 3.36Å; L250-S254 PolarHBondContact O-OG 3.06Å; L251-S254 WeakPolarHBondContact CA-OG 3.49Å; L251-S254 PolarHBondContact O-N 3.21Å; L251-S254 PolarHBondContact O-OG 3.13Å; S254-P256 WeakPolarHBondContact O-CD 3.22Å
255	V	58.3	Low	60.6	Low	47 Å²	47	96.1 Å²	96.1	29%	0.285	53%	0.531	S	S	.	.	S	Bend	trans	-59	126.6	157.4	170.4	0	0	0	0	107	P213 T214 L251 L257	P213-V255 HydrophobicContact CB-CG2 4.22Å; P213-V255 HydrophobicContact CG-CG2 4.31Å; T214-V255 HydrophobicContact CG2-CG1 4.15Å; T214-V255 HydrophobicContact CG2-CG2 4.27Å; L251-V255 WeakPolarHBondContact O-CG2 3.38Å; L251-V255 PolarHBondContact O-N 2.94Å; V255-L257 PolarHBondContact O-N 3.26Å
256	P	46.6	Very low	57.6	Low	93 Å²	93	93.5 Å²	93.5	60%	0.604	52%	0.523	S	S	*	.			trans	-57	115.7	177	-24.3	33.8	0	0	0	110.1	S254 S258	S254-P256 WeakPolarHBondContact O-CD 3.22Å; P256-S258 PolarHBondContact O-N 3.18Å
257	L	32.3	Very low	54.6	Low	140 Å²	140	95.9 Å²	95.9	73%	0.733	54%	0.538	S	S	*	.			trans	-46.3	133.4	158.7	-74.8	169.8	0	0	0	107.3	V255 C259	V255-L257 PolarHBondContact O-N 3.26Å; L257-C259 PolarHBondContact O-N 2.73Å
258	S	35.5	Very low	51.7	Low	132 Å²	132	100.1 Å²	100.1	92%	0.923	56%	0.561	S	S	*	*	S	Bend	trans	-73.8	49.8	176.1	-65.4	0	0	0	0	111.3	P256	P256-S258 PolarHBondContact O-N 3.18Å
259	C	27.2	Very low	48.8	Very low	78 Å²	78	106.3 Å²	106.3	53%	0.527	58%	0.584	S	S	.	*	S	Bend	trans	-170.2	108.2	179.8	34.8	0	0	0	0	112.7	L257	L257-C259 PolarHBondContact O-N 2.73Å
260	N	29.3	Very low	46.2	Very low	147 Å²	147	108.4 Å²	108.4	79%	0.786	60%	0.598	S	S	*	*			trans	55.1	101.9	140.7	-57	-41.9	0	0	0	122.7
261	L	29.2	Very low	43.8	Very low	163 Å²	163	111 Å²	111	85%	0.853	61%	0.612	S	S	*	*			trans	64.1	165.2	144.1	-88.5	76.2	0	0	0	120
262	P	30.6	Very low	41.7	Very low	118 Å²	118	114.7 Å²	114.7	77%	0.766	63%	0.631	S	S	*	*			cis	-121.6	155.1	-22.8	36.6	-23	0	0	0	112.7
263	R	33.2	Very low	40	Very low	182 Å²	182	112.9 Å²	112.9	69%	0.687	63%	0.625	S	S	*	*			trans	-113.9	111.3	-177.4	-150.6	176.9	-158.2	171.4	6.7	112.8
264	A	35.6	Very low	38.5	Very low	92 Å²	92	108.6 Å²	108.6	76%	0.76	61%	0.605	S	S	*	*			trans	-141.7	62.9	176.3	0	0	0	0	0	112
265	T	32.8	Very low	37.6	Very low	131 Å²	131	111.1 Å²	111.1	80%	0.804	62%	0.616	S	S	*	*			trans	-166.8	49.8	170.7	18.7	0	0	0	0	113.1
266	L	29.3	Very low	37.4	Very low	84 Å²	84	113.7 Å²	113.7	44%	0.44	63%	0.628	S	S	.	*			trans	-141.2	111.4	167.5	-71.1	176.8	0	0	0	111.5
267	L	30.1	Very low	38.1	Very low	150 Å²	150	111.3 Å²	111.3	79%	0.785	61%	0.609	S	S	*	*			trans	-110.2	145.7	160.4	-84.8	70.9	0	0	0	105.8
268	N	33.5	Very low	39.6	Very low	90 Å²	90	104.6 Å²	104.6	48%	0.481	57%	0.574	S	S	.	*			cis	-165.3	171.5	4.1	-107	-9	0	0	0	107.2
269	Y	31.3	Very low	41.2	Very low	199 Å²	199	102.9 Å²	102.9	78%	0.78	56%	0.558	S	S	*	*	S	Bend	cis	-141.2	-5.1	15.6	-119.6	-57.7	0	0	0	115.3
270	D	36.2	Very low	42.9	Very low	146 Å²	146	103.4 Å²	103.4	78%	0.781	56%	0.563	S	S	*	*	S	Bend	trans	-86.4	-12.7	175	-75.5	-35.2	0	0	0	113.4
271	N	40.1	Very low	44.8	Very low	104 Å²	104	99.9 Å²	99.9	56%	0.556	54%	0.543	S	S	*	.			trans	-101.6	91.5	179.2	-65.6	-51.3	0	0	0	109.4	P273	N271-P273 VanDerWaalsContact O-CD 3.23Å; N271-P273 WeakPolarHBondContact O-CD 3.28Å
272	I	44.2	Very low	46.8	Very low	79 Å²	79	94.3 Å²	94.3	41%	0.405	53%	0.525	S	S	.	.			trans	-68.1	116.8	148.3	-56.5	177.6	0	0	0	104.7	G274 L276 M277	I272-G274 PolarHBondContact O-N 2.99Å; I272-L276 HydrophobicContact CG2-CB 3.87Å; I272-L276 HydrophobicContact CG2-CD2 4.16Å; I272-L276 HydrophobicContact CG2-CG 4.04Å; I272-M277 HydrophobicContact CB-CB 4.31Å; I272-M277 HydrophobicContact CD1-SD 3.78Å; I272-M277 HydrophobicContact CG2-CB 3.69Å; I272-M277 VanDerWaalsContact CG2-N 3.34Å; I272-M277 HydrophobicContact CG2-SD 4.4Å
273	P	51.5	Low	48.9	Very low	52 Å²	52	89 Å²	89	34%	0.338	49%	0.49	S	S	.	.			trans	-54.7	135.2	175.3	-27.2	38.7	0	0	0	109	N271 N275 L276 M277	N271-P273 VanDerWaalsContact O-CD 3.23Å; N271-P273 WeakPolarHBondContact O-CD 3.28Å; P273-N275 WeakPolarHBondContact CB-OD1 3.35Å; P273-N275 PolarHBondContact O-N 2.96Å; P273-N275 PolarHBondContact O-OD1 3.43Å; P273-L276 HydrophobicContact CB-CB 4.43Å; P273-L276 WeakPolarHBondContact O-CA 3.08Å; P273-L276 WeakPolarHBondContact O-CB 3.4Å; P273-L276 PolarHBondContact O-N 3.08Å; P273-M277 PolarHBondContact O-N 3.11Å
274	G	49.2	Very low	50.9	Low	15 Å²	15	86.8 Å²	86.8	16%	0.155	49%	0.485	C	S	.	.	H	α-helix	trans	-53.5	-36.1	-169.1	0	0	0	0	0	113.5	I272 M277 L278	I272-G274 PolarHBondContact O-N 2.99Å; G274-M277 PolarHBondContact O-N 3.47Å; G274-L278 WeakPolarHBondContact O-CB 3.24Å; G274-L278 VanDerWaalsContact O-CG 3.22Å; G274-L278 WeakPolarHBondContact O-CG 3Å; G274-L278 PolarHBondContact O-N 3.43Å
275	N	53.9	Low	52.6	Low	92 Å²	92	87 Å²	87	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-40	171.3	57.9	-30.1	0	0	0	114.2	P273 T279	P273-N275 WeakPolarHBondContact CB-OD1 3.35Å; P273-N275 PolarHBondContact O-N 2.96Å; P273-N275 PolarHBondContact O-OD1 3.43Å; N275-T279 WeakPolarHBondContact O-CB 3.39Å; N275-T279 PolarHBondContact O-N 2.81Å; N275-T279 PolarHBondContact O-OG1 3.39Å
276	L	53.3	Low	54.3	Low	101 Å²	101	82.8 Å²	82.8	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-71	-36.3	176.5	-172.6	64.7	0	0	0	111.9	I272 P273 T279 S280	I272-L276 HydrophobicContact CG2-CB 3.87Å; I272-L276 HydrophobicContact CG2-CD2 4.16Å; I272-L276 HydrophobicContact CG2-CG 4.04Å; P273-L276 HydrophobicContact CB-CB 4.43Å; P273-L276 WeakPolarHBondContact O-CA 3.08Å; P273-L276 WeakPolarHBondContact O-CB 3.4Å; P273-L276 PolarHBondContact O-N 3.08Å; L276-T279 PolarHBondContact O-N 3.23Å; L276-S280 PolarHBondContact O-N 3.06Å
277	M	62.8	Low	56.7	Low	42 Å²	42	79.7 Å²	79.7	21%	0.207	44%	0.44	C	S	.	.	H	α-helix	trans	-66.2	-40.7	173.7	-172.9	66.2	176.2	0	0	111.5	I272 P273 G274 S280 V366	I272-M277 HydrophobicContact CB-CB 4.31Å; I272-M277 HydrophobicContact CD1-SD 3.78Å; I272-M277 HydrophobicContact CG2-CB 3.69Å; I272-M277 VanDerWaalsContact CG2-N 3.34Å; I272-M277 HydrophobicContact CG2-SD 4.4Å; P273-M277 PolarHBondContact O-N 3.11Å; G274-M277 PolarHBondContact O-N 3.47Å; M277-S280 PolarHBondContact O-OG 3.26Å; M277-V366 HydrophobicContact CE-CB 4.3Å; M277-V366 HydrophobicContact CE-CG1 3.91Å; M277-V366 HydrophobicContact CG-CG1 4.22Å; M277-V366 HydrophobicContact CG-CG2 4.49Å
278	L	63.8	Low	59.2	Low	0 Å²	0	77 Å²	77	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-66.2	-40.6	172.8	-66.8	176.9	0	0	0	111.1	G274 S280 I281 G282 L283 L285 L319 C322 V333 I369	G274-L278 WeakPolarHBondContact O-CB 3.24Å; G274-L278 VanDerWaalsContact O-CG 3.22Å; G274-L278 WeakPolarHBondContact O-CG 3Å; G274-L278 PolarHBondContact O-N 3.43Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.1Å; L278-I281 HydrophobicContact CD2-CD1 4.18Å; L278-I281 CarbonylContact O-C 3.08Å; L278-I281 VanDerWaalsContact O-CG1 3.25Å; L278-I281 WeakPolarHBondContact O-CG1 3.43Å; L278-I281 PolarHBondContact O-N 2.86Å; L278-I281 VanDerWaalsContact O-N 3.14Å; L278-G282 PolarHBondContact O-N 3.2Å; L278-G282 VanDerWaalsContact O-N 3.09Å; L278-L283 CarbonylContact C-O 3.4Å; L278-L283 HydrophobicContact CB-CB 4.16Å; L278-L283 WeakPolarHBondContact CB-O 3.47Å; L278-L283 HydrophobicContact CD2-CB 4.16Å; L278-L283 WeakPolarHBondContact O-CA 3.49Å; L278-L283 PolarHBondContact O-N 3.46Å; L278-L283 VanDerWaalsContact O-O 3.07Å; L278-L285 HydrophobicContact CD1-CD2 3.71Å; L278-L285 HydrophobicContact CD1-CG 4.05Å; L278-L319 HydrophobicContact CD1-CD2 3.59Å; L278-L319 HydrophobicContact CD1-CG 4.49Å; L278-L319 HydrophobicContact CD2-CD2 3.52Å; L278-L319 HydrophobicContact CG-CD2 4.16Å; L278-C322 HydrophobicContact CD1-CB 3.68Å; L278-C322 HydrophobicContact CD2-CB 4.09Å; L278-C322 HydrophobicContact CG-CB 3.84Å; L278-V333 HydrophobicContact CD2-CG1 4.38Å; L278-I369 HydrophobicContact CD2-CD1 4.48Å
279	T	68.8	Low	61.7	Low	95 Å²	95	72.7 Å²	72.7	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-62	-40.1	178.8	-58	0	0	0	0	111.7	N275 L276 I281 G282 L283	N275-T279 WeakPolarHBondContact O-CB 3.39Å; N275-T279 PolarHBondContact O-N 2.81Å; N275-T279 PolarHBondContact O-OG1 3.39Å; L276-T279 PolarHBondContact O-N 3.23Å; T279-I281 PolarHBondContact O-N 2.93Å; T279-G282 PolarHBondContact O-N 3.44Å; T279-G282 VanDerWaalsContact O-N 3.09Å; T279-L283 PolarHBondContact N-O 2.91Å
280	S	62.3	Low	64.3	Low	90 Å²	90	64.1 Å²	64.1	63%	0.629	36%	0.364	S	S	*	.	H	α-helix	trans	-68.2	-20.8	178	65.4	0	0	0	0	113.9	L276 M277 L278	L276-S280 PolarHBondContact O-N 3.06Å; M277-S280 PolarHBondContact O-OG 3.26Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.1Å
281	I	69	Low	66.4	Low	73 Å²	73	57.6 Å²	57.6	37%	0.374	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.5	171.6	68.5	-178.6	0	0	0	113.2	L278 T279 L283 V366 I369	L278-I281 HydrophobicContact CD2-CD1 4.18Å; L278-I281 CarbonylContact O-C 3.08Å; L278-I281 VanDerWaalsContact O-CG1 3.25Å; L278-I281 WeakPolarHBondContact O-CG1 3.43Å; L278-I281 PolarHBondContact O-N 2.86Å; L278-I281 VanDerWaalsContact O-N 3.14Å; T279-I281 PolarHBondContact O-N 2.93Å; I281-L283 VanDerWaalsContact C-N 3.35Å; I281-L283 HydrophobicContact CD1-CD1 3.86Å; I281-L283 HydrophobicContact CG1-CB 4.18Å; I281-L283 HydrophobicContact CG1-CD1 4.04Å; I281-L283 HydrophobicContact CG1-CG 4.2Å; I281-L283 PolarHBondContact O-N 3.15Å; I281-V366 HydrophobicContact CD1-CG1 3.58Å; I281-I369 HydrophobicContact CD1-CD1 4.5Å
282	G	72.4	Confident	67.8	Low	45 Å²	45	56 Å²	56	46%	0.464	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	19.6	175.3	0	0	0	0	0	115.6	L278 T279 K371	L278-G282 PolarHBondContact O-N 3.2Å; L278-G282 VanDerWaalsContact O-N 3.09Å; T279-G282 PolarHBondContact O-N 3.44Å; T279-G282 VanDerWaalsContact O-N 3.09Å; G282-K371 PolarHBondContact O-NZ 3.22Å
283	L	73.4	Confident	68.4	Low	7 Å²	7	56.2 Å²	56.2	4%	0.037	32%	0.323	C	S	.	.			trans	-114	164.3	-178.1	-69.8	177.6	0	0	0	112.7	L278 T279 I281 D287 V289 I369 K371	L278-L283 CarbonylContact C-O 3.4Å; L278-L283 HydrophobicContact CB-CB 4.16Å; L278-L283 WeakPolarHBondContact CB-O 3.47Å; L278-L283 HydrophobicContact CD2-CB 4.16Å; L278-L283 WeakPolarHBondContact O-CA 3.49Å; L278-L283 PolarHBondContact O-N 3.46Å; L278-L283 VanDerWaalsContact O-O 3.07Å; T279-L283 PolarHBondContact N-O 2.91Å; I281-L283 VanDerWaalsContact C-N 3.35Å; I281-L283 HydrophobicContact CD1-CD1 3.86Å; I281-L283 HydrophobicContact CG1-CB 4.18Å; I281-L283 HydrophobicContact CG1-CD1 4.04Å; I281-L283 HydrophobicContact CG1-CG 4.2Å; I281-L283 PolarHBondContact O-N 3.15Å; L283-D287 WeakPolarHBondContact CA-OD2 3.44Å; L283-D287 HydrophobicContact CD2-CB 4.1Å; L283-V289 HydrophobicContact CD1-CG1 3.92Å; L283-V289 HydrophobicContact CD2-CG1 3.9Å; L283-I369 HydrophobicContact CD1-CD1 3.56Å; L283-I369 HydrophobicContact CD1-CG1 4.16Å; L283-K371 HydrophobicContact CD2-CB 3.61Å; L283-K371 HydrophobicContact CD2-CD 3.86Å; L283-K371 HydrophobicContact CD2-CG 3.61Å
284	K	74.9	Confident	68	Low	135 Å²	135	61.4 Å²	61.4	59%	0.587	35%	0.345	S	S	*	.			trans	-144.6	161.9	167.9	55.5	173.6	179.2	-179.3	0	110.3	G286 D287	K284-G286 PolarHBondContact O-N 3.01Å; K284-D287 WeakPolarHBondContact CE-OD1 3.18Å; K284-D287 HydrophobicContact CG-CB 4.41Å; K284-D287 WeakPolarHBondContact CG-OD1 3.37Å; K284-D287 WeakPolarHBondContact CG-OD2 3.17Å; K284-D287 PolarHBondContact N-OD2 3.45Å; K284-D287 VanDerWaalsContact N-OD2 3.09Å; K284-D287 VanDerWaalsContact O-CB 3.3Å; K284-D287 WeakPolarHBondContact O-CB 3.3Å; K284-D287 PolarHBondContact O-N 3.22Å
285	L	72.6	Confident	67.5	Low	97 Å²	97	69.4 Å²	69.4	51%	0.508	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	136.7	169.4	-61.9	-179.4	0	0	0	109.7	L278 L319	L278-L285 HydrophobicContact CD1-CD2 3.71Å; L278-L285 HydrophobicContact CD1-CG 4.05Å; L285-L319 HydrophobicContact CD2-CD2 4.46Å; L285-L319 HydrophobicContact CD2-CG 4.12Å
286	G	67.6	Low	66.7	Low	43 Å²	43	71.1 Å²	71.1	44%	0.443	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-8.9	-171.3	0	0	0	0	0	115.2	K284 L319	K284-G286 PolarHBondContact O-N 3.01Å; G286-L319 PolarHBondContact N-O 3.14Å
287	D	80.3	Confident	65.7	Low	18 Å²	18	71.7 Å²	71.7	10%	0.096	39%	0.393	C	S	.	.			trans	-67.6	146.6	169.8	-80.9	-6.1	0	0	0	110.8	L283 K284 L319 K371	L283-D287 WeakPolarHBondContact CA-OD2 3.44Å; L283-D287 HydrophobicContact CD2-CB 4.1Å; K284-D287 WeakPolarHBondContact CE-OD1 3.18Å; K284-D287 HydrophobicContact CG-CB 4.41Å; K284-D287 WeakPolarHBondContact CG-OD1 3.37Å; K284-D287 WeakPolarHBondContact CG-OD2 3.17Å; K284-D287 PolarHBondContact N-OD2 3.45Å; K284-D287 VanDerWaalsContact N-OD2 3.09Å; K284-D287 VanDerWaalsContact O-CB 3.3Å; K284-D287 WeakPolarHBondContact O-CB 3.3Å; K284-D287 PolarHBondContact O-N 3.22Å; D287-L319 WeakPolarHBondContact O-CB 3.28Å; D287-L319 PolarHBondContact O-N 3.42Å; D287-K371 WeakPolarHBondContact OD2-CE 2.96Å; D287-K371 IonicContact OD2-NZ 2.75Å; D287-K371 PolarHBondContact OD2-NZ 3.25Å
288	R	83.1	Confident	64.4	Low	93 Å²	93	79.2 Å²	79.2	35%	0.351	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.4	167.8	-62	-66.8	-70	-68.3	7.8	109.1	G317 D338 A372	R288-G317 WeakPolarHBondContact CA-O 3.49Å; R288-D338 IonicContact CZ-OD1 3.07Å; R288-D338 IonicContact CZ-OD2 3.68Å; R288-D338 IonicContact NE-OD1 3.1Å; R288-D338 IonicContact NE-OD2 3.56Å; R288-D338 IonicContact NH2-OD1 2.7Å; R288-D338 PolarHBondContact NH2-OD1 3.31Å; R288-D338 IonicContact NH2-OD2 3.18Å; R288-D338 PolarHBondContact NH2-OD2 2.98Å; R288-A372 HydrophobicContact CB-CB 3.83Å; R288-A372 WeakPolarHBondContact O-CB 3.26Å; R288-A372 PolarHBondContact O-N 2.89Å
289	V	85.4	Confident	63.1	Low	0 Å²	0	88.6 Å²	88.6	0%	0	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.2	-178.1	-65.8	0	0	0	0	110.6	L283 T316 G317 L319 V335 I369 A370	L283-V289 HydrophobicContact CD1-CG1 3.92Å; L283-V289 HydrophobicContact CD2-CG1 3.9Å; V289-T316 WeakPolarHBondContact O-CA 3.41Å; V289-G317 PolarHBondContact N-O 3.08Å; V289-G317 PolarHBondContact O-N 2.84Å; V289-L319 HydrophobicContact CG1-CB 4.04Å; V289-L319 HydrophobicContact CG1-CD2 4.35Å; V289-L319 HydrophobicContact CG2-CB 4.04Å; V289-V335 HydrophobicContact CG2-CB 4.49Å; V289-V335 HydrophobicContact CG2-CG1 3.88Å; V289-V335 HydrophobicContact CG2-CG2 3.71Å; V289-I369 HydrophobicContact CG1-CD1 4.31Å; V289-A370 CarbonylContact C-O 3.57Å; V289-A370 VanDerWaalsContact CA-O 3.29Å; V289-A370 WeakPolarHBondContact CA-O 3.4Å
290	V	85.3	Confident	61.5	Low	19 Å²	19	88.4 Å²	88.4	12%	0.115	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.3	175.6	-167.8	0	0	0	0	108.5	K314 T316 I369 A370 A372	V290-K314 HydrophobicContact CG1-CB 3.6Å; V290-K314 HydrophobicContact CG1-CD 3.97Å; V290-K314 HydrophobicContact CG1-CG 3.81Å; V290-T316 HydrophobicContact CG2-CG2 4.25Å; V290-I369 WeakPolarHBondContact O-CA 3.45Å; V290-A370 PolarHBondContact N-O 2.63Å; V290-A370 PolarHBondContact O-N 3.36Å; V290-A370 VanDerWaalsContact O-N 3.07Å; V290-A372 HydrophobicContact CG2-CB 3.99Å
291	L	80.2	Confident	60.6	Low	9 Å²	9	89 Å²	89	5%	0.047	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.8	173.2	-55.8	-176.7	0	0	0	110.1	D293 Q315 V335 L337 I362 A364 I369	L291-D293 PolarHBondContact O-N 3.23Å; L291-Q315 HydrophobicContact CB-CB 4.35Å; L291-Q315 HydrophobicContact CD1-CB 4.34Å; L291-Q315 PolarHBondContact N-O 2.83Å; L291-V335 HydrophobicContact CD2-CG2 4Å; L291-L337 HydrophobicContact CD1-CD2 3.83Å; L291-I362 HydrophobicContact CD1-CD1 4.16Å; L291-I362 HydrophobicContact CD1-CG2 3.52Å; L291-A364 HydrophobicContact CD2-CB 4.33Å; L291-I369 HydrophobicContact CD2-CG2 3.49Å; L291-I369 VanDerWaalsContact CD2-CG2 3.49Å
292	D	69.5	Low	59.6	Low	72 Å²	72	90.2 Å²	90.2	39%	0.385	49%	0.488	S	S	.	.			trans	-88	84.1	170.2	-80.6	-26.3	0	0	0	109.5	M294 K314 K368	D292-M294 PolarHBondContact O-N 3.3Å; D292-K314 WeakPolarHBondContact OD1-CE 3.27Å; D292-K314 IonicContact OD1-NZ 3.25Å; D292-K314 PolarHBondContact OD1-NZ 2.96Å; D292-K314 IonicContact OD2-NZ 3.15Å; D292-K368 PolarHBondContact N-O 2.92Å
293	D	56.6	Low	58.1	Low	82 Å²	82	95.5 Å²	95.5	44%	0.439	51%	0.505	S	S	.	.			trans	-91	89.4	174.2	-143.6	21.5	0	0	0	111.2	L291 K295 K368	L291-D293 PolarHBondContact O-N 3.23Å; D293-K295 VanDerWaalsContact C-N 3.29Å; D293-K295 PolarHBondContact O-N 3.08Å; D293-K368 IonicContact OD1-NZ 2.9Å; D293-K368 PolarHBondContact OD1-NZ 2.86Å
294	M	43.5	Very low	56.6	Low	162 Å²	162	104.2 Å²	104.2	80%	0.798	55%	0.546	S	S	*	.			trans	-63.8	82	174.3	-85.7	-88.4	-79.2	0	0	112.4	D292 L296	D292-M294 PolarHBondContact O-N 3.3Å; M294-L296 HydrophobicContact SD-CD1 4.11Å
295	K	39.8	Very low	55	Low	183 Å²	183	105 Å²	105	80%	0.796	55%	0.554	S	S	*	*			trans	-127.8	75.3	156.1	-84.8	-170.4	174.2	-178.4	0	109.9	D293	D293-K295 VanDerWaalsContact C-N 3.29Å; D293-K295 PolarHBondContact O-N 3.08Å
296	L	36.5	Very low	53.5	Low	128 Å²	128	105 Å²	105	67%	0.67	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-59.8	131.6	160.6	-93.5	85.5	0	0	0	109.1	M294	M294-L296 HydrophobicContact SD-CD1 4.11Å
297	P	33	Very low	52.5	Low	112 Å²	112	109.6 Å²	109.6	73%	0.727	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.8	138.5	163.5	28	-32.1	0	0	0	109.1
298	K	34.6	Very low	50.6	Low	201 Å²	201	112.4 Å²	112.4	87%	0.874	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-70.7	142.6	169.9	-76.3	-175.7	175.7	-178.9	0	109.7
299	K	37	Very low	48.8	Very low	196 Å²	196	110.4 Å²	110.4	85%	0.852	59%	0.593	S	S	*	*			trans	96.3	149.8	173.2	-63.7	-178.1	177.3	-174.4	0	113.9
300	S	35	Very low	46.8	Very low	92 Å²	92	115.9 Å²	115.9	64%	0.643	62%	0.621	S	S	*	*			cis	-170.8	143.6	-20.4	46.5	0	0	0	0	107.2
301	S	43.4	Very low	44.9	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	65%	0.651	S	S	*	*			trans	45.6	114	165	55.5	0	0	0	0	117.6
302	S	47.9	Very low	43.1	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	69%	0.686	S	S	*	*			trans	46.1	103.4	148.8	58.2	0	0	0	0	117.4
303	D	39.6	Very low	42.2	Very low	156 Å²	156	132.1 Å²	132.1	83%	0.834	70%	0.696	S	S	*	*				-172.4	-172.7	102.4	-82	-23.7	0	0	0	109.9
304	E	43.4	Very low	42.5	Very low	190 Å²	190	133.2 Å²	133.2	89%	0.888	70%	0.697	S	S	*	*			trans	-56.9	147.1	-154.9	-62	179	127.4	0	0	116.6	D306	E304-D306 PolarHBondContact O-N 3.23Å; E304-D306 VanDerWaalsContact O-N 3.08Å
305	I	41.3	Very low	44.2	Very low	150 Å²	150	128 Å²	128	77%	0.769	67%	0.67	S	S	*	*			trans	-76.3	96.6	178.2	-58.5	173.1	0	0	0	109.5	I307	I305-I307 PolarHBondContact O-N 3.29Å
306	D	41.5	Very low	46.3	Very low	98 Å²	98	121.7 Å²	121.7	52%	0.524	65%	0.647	S	S	.	*			trans	-68.4	108.5	165.9	-174.8	-9	0	0	0	110	E304 S308 A309	E304-D306 PolarHBondContact O-N 3.23Å; E304-D306 VanDerWaalsContact O-N 3.08Å; D306-S308 PolarHBondContact O-N 3.07Å; D306-S308 VanDerWaalsContact OD1-CB 3.26Å; D306-S308 WeakPolarHBondContact OD1-CB 3.46Å; D306-S308 PolarHBondContact OD1-N 3.28Å; D306-S308 PolarHBondContact OD1-OG 2.73Å; D306-S308 PolarHBondContact OD2-OG 3.25Å; D306-S308 VanDerWaalsContact OD2-OG 3.05Å; D306-A309 HydrophobicContact CB-CB 4.37Å; D306-A309 PolarHBondContact O-N 2.97Å; D306-A309 VanDerWaalsContact O-N 3.15Å
307	I	44.6	Very low	48.6	Very low	139 Å²	139	115.6 Å²	115.6	71%	0.713	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-20.6	-179.1	-62.3	176.2	0	0	0	111.4	I305	I305-I307 PolarHBondContact O-N 3.29Å
308	S	41.7	Very low	50.8	Low	77 Å²	77	111.4 Å²	111.4	54%	0.538	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-31.6	175.1	78.6	0	0	0	0	113.1	D306 L310 H311	D306-S308 PolarHBondContact O-N 3.07Å; D306-S308 VanDerWaalsContact OD1-CB 3.26Å; D306-S308 WeakPolarHBondContact OD1-CB 3.46Å; D306-S308 PolarHBondContact OD1-N 3.28Å; D306-S308 PolarHBondContact OD1-OG 2.73Å; D306-S308 PolarHBondContact OD2-OG 3.25Å; D306-S308 VanDerWaalsContact OD2-OG 3.05Å; S308-L310 VanDerWaalsContact C-N 3.29Å; S308-L310 PolarHBondContact O-N 2.71Å; S308-H311 PolarHBondContact O-N 2.79Å
309	A	45.6	Very low	53	Low	52 Å²	52	101.9 Å²	101.9	43%	0.43	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-70.2	-26	176	0	0	0	0	0	112.5	D306 H311 H312	D306-A309 HydrophobicContact CB-CB 4.37Å; D306-A309 PolarHBondContact O-N 2.97Å; D306-A309 VanDerWaalsContact O-N 3.15Å; A309-H311 PolarHBondContact O-N 3.08Å; A309-H312 PolarHBondContact O-N 3.3Å
310	L	43.2	Very low	55	Low	115 Å²	115	98 Å²	98	60%	0.602	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-66	-22.9	177	-155	74.5	0	0	0	112.7	S308 H312	S308-L310 VanDerWaalsContact C-N 3.29Å; S308-L310 PolarHBondContact O-N 2.71Å; L310-H312 VanDerWaalsContact C-N 3.31Å; L310-H312 PolarHBondContact O-N 2.8Å
311	H	44.4	Very low	57	Low	161 Å²	161	95.3 Å²	95.3	75%	0.745	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-77.5	-13.4	178.7	-151.7	-68.7	0	0	0	113.4	S308 A309	S308-H311 PolarHBondContact O-N 2.79Å; A309-H311 PolarHBondContact O-N 3.08Å
312	H	43.5	Very low	58.3	Low	168 Å²	168	91.1 Å²	91.1	78%	0.778	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-91.3	-9.3	175.9	-87.6	80.5	0	0	0	114	A309 L310	A309-H312 PolarHBondContact O-N 3.3Å; L310-H312 VanDerWaalsContact C-N 3.31Å; L310-H312 PolarHBondContact O-N 2.8Å
313	L	50.8	Low	59.1	Low	112 Å²	112	86.9 Å²	86.9	59%	0.586	45%	0.446	S	S	*	.	S	Bend	trans	-89.4	-2.7	179.6	-95.1	91	0	0	0	114.6
314	K	62	Low	60.2	Low	105 Å²	105	83.2 Å²	83.2	46%	0.457	43%	0.429	S	S	.	.			trans	-122.1	89.9	-172.8	-83	-175.6	171.7	-127.2	0	110.4	V290 D292 T316	V290-K314 HydrophobicContact CG1-CB 3.6Å; V290-K314 HydrophobicContact CG1-CD 3.97Å; V290-K314 HydrophobicContact CG1-CG 3.81Å; D292-K314 WeakPolarHBondContact OD1-CE 3.27Å; D292-K314 IonicContact OD1-NZ 3.25Å; D292-K314 PolarHBondContact OD1-NZ 2.96Å; D292-K314 IonicContact OD2-NZ 3.15Å; K314-T316 PolarHBondContact O-N 2.9Å; K314-T316 VanDerWaalsContact O-N 3.09Å
315	Q	78.4	Confident	61.2	Low	52 Å²	52	75 Å²	75	24%	0.243	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	111.9	173.8	-74.4	-176.2	-13.7	0	0	109.5	L291 L337 E341	L291-Q315 HydrophobicContact CB-CB 4.35Å; L291-Q315 HydrophobicContact CD1-CB 4.34Å; L291-Q315 PolarHBondContact N-O 2.83Å; Q315-L337 HydrophobicContact CB-CD2 3.97Å; Q315-E341 PolarHBondContact NE2-OE2 3.28Å
316	T	84.6	Confident	62.2	Low	51 Å²	51	75.5 Å²	75.5	31%	0.313	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.9	174.8	57	0	0	0	0	110.7	V289 V290 K314 L337 D338	V289-T316 WeakPolarHBondContact O-CA 3.41Å; V290-T316 HydrophobicContact CG2-CG2 4.25Å; K314-T316 PolarHBondContact O-N 2.9Å; K314-T316 VanDerWaalsContact O-N 3.09Å; T316-L337 WeakPolarHBondContact O-CA 3.24Å; T316-D338 VanDerWaalsContact C-OD2 3.25Å; T316-D338 VanDerWaalsContact CB-OD2 3.24Å; T316-D338 WeakPolarHBondContact CB-OD2 3.38Å; T316-D338 PolarHBondContact O-N 2.99Å; T316-D338 PolarHBondContact OG1-OD2 3.46Å
317	G	85.5	Confident	63.3	Low	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	176.8	175.8	0	0	0	0	0	113.3	R288 V289 E336	R288-G317 WeakPolarHBondContact CA-O 3.49Å; V289-G317 PolarHBondContact N-O 3.08Å; V289-G317 PolarHBondContact O-N 2.84Å; G317-E336 CarbonylContact C-O 3.56Å; G317-E336 WeakPolarHBondContact CA-O 3.37Å
318	T	79.1	Confident	63.8	Low	24 Å²	24	69.3 Å²	69.3	15%	0.147	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.7	175.1	-56.9	0	0	0	0	110.1	R320 E336	T318-R320 PolarHBondContact O-N 3.43Å; T318-E336 PolarHBondContact N-O 3.2Å; T318-E336 PolarHBondContact O-N 3.07Å
319	L	81.1	Confident	64.4	Low	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	113.9	177	-177.6	64.1	0	0	0	110.8	L278 L285 G286 D287 V289 V333 V335 I369	L278-L319 HydrophobicContact CD1-CD2 3.59Å; L278-L319 HydrophobicContact CD1-CG 4.49Å; L278-L319 HydrophobicContact CD2-CD2 3.52Å; L278-L319 HydrophobicContact CG-CD2 4.16Å; L285-L319 HydrophobicContact CD2-CD2 4.46Å; L285-L319 HydrophobicContact CD2-CG 4.12Å; G286-L319 PolarHBondContact N-O 3.14Å; D287-L319 WeakPolarHBondContact O-CB 3.28Å; D287-L319 PolarHBondContact O-N 3.42Å; V289-L319 HydrophobicContact CG1-CB 4.04Å; V289-L319 HydrophobicContact CG1-CD2 4.35Å; V289-L319 HydrophobicContact CG2-CB 4.04Å; L319-V333 HydrophobicContact CD1-CB 3.72Å; L319-V333 HydrophobicContact CD1-CG1 3.93Å; L319-V335 HydrophobicContact CD1-CG2 4.08Å; L319-I369 HydrophobicContact CD1-CD1 4.26Å; L319-I369 HydrophobicContact CD2-CD1 4.41Å
320	R	77.6	Confident	64.9	Low	114 Å²	114	70.9 Å²	70.9	43%	0.43	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-24.9	-175.8	-64.1	-54.3	-167.9	-171.4	0.3	114.6	T318 G334 E336 F354	T318-R320 PolarHBondContact O-N 3.43Å; R320-G334 PolarHBondContact N-O 2.75Å; R320-E336 HydrophobicContact CG-CB 3.68Å; R320-E336 IonicContact CZ-OE2 3.12Å; R320-E336 IonicContact NE-OE2 2.72Å; R320-E336 PolarHBondContact NE-OE2 2.9Å; R320-E336 IonicContact NH2-OE2 2.68Å; R320-E336 PolarHBondContact NH2-OE2 2.85Å; R320-F354 HydrophobicContact CB-CB 3.71Å; R320-F354 HydrophobicContact CB-CD2 3.55Å; R320-F354 HydrophobicContact CB-CE2 4.22Å; R320-F354 HydrophobicContact CB-CG 3.7Å; R320-F354 HydrophobicContact CG-CD2 3.92Å; R320-F354 HydrophobicContact CG-CE2 4.42Å
321	F	78.5	Confident	66	Low	36 Å²	36	67.5 Å²	67.5	16%	0.158	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148	-178	172.8	-94.2	0	0	0	111.6	T325 V333 G334 Y353 F354 F363	F321-T325 HydrophobicContact CE1-CG2 4Å; F321-T325 HydrophobicContact CZ-CG2 4.42Å; F321-V333 CarbonylContact O-C 3.38Å; F321-V333 VanDerWaalsContact O-CA 3.25Å; F321-V333 WeakPolarHBondContact O-CA 3.49Å; F321-G334 PolarHBondContact N-O 3Å; F321-G334 PolarHBondContact O-N 2.9Å; F321-Y353 HydrophobicContact CE1-CD1 4.18Å; F321-Y353 AromaticContact CE2-CD1 3.93Å; F321-Y353 HydrophobicContact CE2-CD1 3.93Å; F321-Y353 HydrophobicContact CE2-CG 4.48Å; F321-Y353 AromaticContact CZ-CD1 3.7Å; F321-Y353 HydrophobicContact CZ-CD1 3.7Å; F321-Y353 HydrophobicContact CZ-CG 4.44Å; F321-F354 HydrophobicContact CB-CB 4.36Å; F321-F354 HydrophobicContact CB-CD1 3.89Å; F321-F354 HydrophobicContact CB-CG 4.46Å; F321-F363 HydrophobicContact CD1-CD1 4.49Å; F321-F363 HydrophobicContact CD1-CE1 4.05Å; F321-F363 HydrophobicContact CE1-CE1 4.41Å
322	C	69.1	Low	67.6	Low	15 Å²	15	62.3 Å²	62.3	10%	0.101	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	123.8	164.6	-176.4	0	0	0	0	109.2	L278 W332 V333	L278-C322 HydrophobicContact CD1-CB 3.68Å; L278-C322 HydrophobicContact CD2-CB 4.09Å; L278-C322 HydrophobicContact CG-CB 3.84Å; C322-W332 CarbonylContact C-O 3.57Å; C322-W332 VanDerWaalsContact CA-O 3.32Å; C322-W332 WeakPolarHBondContact CA-O 3.25Å; C322-V333 HydrophobicContact CB-CG1 4.04Å
323	G	65.4	Low	69.4	Low	10 Å²	10	54.3 Å²	54.3	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-170.8	-179	0	0	0	0	0	113.8	Q331 W332	G323-Q331 VanDerWaalsContact C-OE1 3.27Å; G323-Q331 VanDerWaalsContact CA-OE1 3.29Å; G323-W332 PolarHBondContact N-O 2.85Å; G323-W332 PolarHBondContact O-N 3.22Å
324	T	63.4	Low	70.9	Confident	79 Å²	79	49 Å²	49	49%	0.485	27%	0.265	S	S	.	.			trans	-75.5	156.7	171.2	49.1	0	0	0	0	111.5
325	T	63.6	Low	72.1	Confident	18 Å²	18	44 Å²	44	11%	0.11	24%	0.244	C	C	.	.			trans	-132.6	156.7	-179.1	66.1	0	0	0	0	112	F321 F327 A328 W332 Y353	F321-T325 HydrophobicContact CE1-CG2 4Å; F321-T325 HydrophobicContact CZ-CG2 4.42Å; T325-F327 VanDerWaalsContact CB-CE1 3.47Å; T325-F327 HydrophobicContact CG2-CD1 4.35Å; T325-F327 HydrophobicContact CG2-CE1 3.57Å; T325-F327 HydrophobicContact CG2-CE2 4.45Å; T325-F327 HydrophobicContact CG2-CZ 3.62Å; T325-A328 PolarHBondContact OG1-N 3.38Å; T325-A328 PolarHBondContact OG1-O 2.9Å; T325-W332 HydrophobicContact CG2-CB 3.76Å; T325-W332 HydrophobicContact CG2-CG 4.03Å; T325-Y353 HydrophobicContact CG2-CD1 4.21Å; T325-Y353 HydrophobicContact CG2-CE1 3.84Å
326	E	63.3	Low	72.6	Confident	159 Å²	159	43.1 Å²	43.1	74%	0.743	24%	0.239	S	C	*	.	S	Bend	trans	-78.4	-28.1	176.4	-63.1	-168.5	-167	0	0	112.8	Y353	E326-Y353 PolarHBondContact N-OH 3.27Å
327	F	63.9	Low	72.7	Confident	79 Å²	79	41 Å²	41	35%	0.346	23%	0.226	S	C	.	.	S	Bend	trans	-79.3	-21.1	-178	62	-100.6	0	0	0	113.7	T325 W332 V348 Y353 F363	T325-F327 VanDerWaalsContact CB-CE1 3.47Å; T325-F327 HydrophobicContact CG2-CD1 4.35Å; T325-F327 HydrophobicContact CG2-CE1 3.57Å; T325-F327 HydrophobicContact CG2-CE2 4.45Å; T325-F327 HydrophobicContact CG2-CZ 3.62Å; F327-W332 HydrophobicContact CE2-CD2 4.08Å; F327-W332 HydrophobicContact CE2-CE3 4.11Å; F327-W332 HydrophobicContact CE2-CH2 4.45Å; F327-W332 HydrophobicContact CE2-CZ2 4.45Å; F327-W332 HydrophobicContact CE2-CZ3 4.29Å; F327-W332 HydrophobicContact CZ-CD2 4.4Å; F327-W332 HydrophobicContact CZ-CE3 4.4Å; F327-V348 HydrophobicContact CB-CG1 3.88Å; F327-V348 HydrophobicContact CD1-CB 3.58Å; F327-V348 HydrophobicContact CD1-CG1 3.54Å; F327-V348 HydrophobicContact CD1-CG2 4.05Å; F327-V348 HydrophobicContact CE1-CB 3.91Å; F327-V348 HydrophobicContact CE1-CG1 4.2Å; F327-V348 HydrophobicContact CE1-CG2 3.86Å; F327-V348 HydrophobicContact CG-CB 4.33Å; F327-V348 HydrophobicContact CG-CG1 3.77Å; F327-Y353 HydrophobicContact CD1-CE2 4.06Å; F327-Y353 AromaticContact CE1-CE2 3.92Å; F327-Y353 HydrophobicContact CE1-CE2 3.92Å; F327-F363 HydrophobicContact CE1-CD1 4.09Å; F327-F363 HydrophobicContact CE1-CD2 4.37Å; F327-F363 HydrophobicContact CE1-CE1 4.25Å; F327-F363 HydrophobicContact CE1-CG 4.15Å; F327-F363 HydrophobicContact CE1-CZ 4.48Å; F327-F363 HydrophobicContact CE2-CB 4.47Å; F327-F363 HydrophobicContact CZ-CB 3.83Å; F327-F363 AromaticContact CZ-CD1 3.76Å; F327-F363 HydrophobicContact CZ-CD1 3.76Å; F327-F363 HydrophobicContact CZ-CD2 4.21Å; F327-F363 HydrophobicContact CZ-CE1 4.37Å; F327-F363 AromaticContact CZ-CG 3.66Å; F327-F363 HydrophobicContact CZ-CG 3.66Å
328	A	55.3	Low	72.7	Confident	28 Å²	28	44 Å²	44	23%	0.231	24%	0.242	C	C	.	.	S	Bend	trans	-155	143.9	177.7	0	0	0	0	0	112	T325 W332	T325-A328 PolarHBondContact OG1-N 3.38Å; T325-A328 PolarHBondContact OG1-O 2.9Å; A328-W332 HydrophobicContact CB-CH2 4.4Å; A328-W332 HydrophobicContact CB-CZ2 3.43Å; A328-W332 VanDerWaalsContact CB-CZ2 3.43Å
329	S	53.5	Low	73	Confident	116 Å²	116	49.1 Å²	49.1	81%	0.811	26%	0.264	S	S	*	.	S	Bend	trans	-70	164.2	171.8	53.5	0	0	0	0	112.1	W332	S329-W332 PolarHBondContact O-NE1 2.89Å
330	G	56.9	Low	73	Confident	47 Å²	47	52.8 Å²	52.8	49%	0.485	29%	0.288	S	S	.	.	S	Bend	trans	88.9	-175.5	-176.9	0	0	0	0	0	113.6
331	Q	65.5	Low	73.2	Confident	43 Å²	43	53 Å²	53	20%	0.201	29%	0.294	C	S	.	.			trans	-93.5	129.7	177.8	-65.2	-67.1	-28.6	0	0	110.2	G323 V366	G323-Q331 VanDerWaalsContact C-OE1 3.27Å; G323-Q331 VanDerWaalsContact CA-OE1 3.29Å; Q331-V366 HydrophobicContact CB-CG2 3.72Å
332	W	78.6	Confident	73.5	Confident	53 Å²	53	51.8 Å²	51.8	20%	0.201	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.1	-177.8	-70.3	80.2	0	0	0	110.4	C322 G323 T325 F327 A328 S329 F363 A364 P365	C322-W332 CarbonylContact C-O 3.57Å; C322-W332 VanDerWaalsContact CA-O 3.32Å; C322-W332 WeakPolarHBondContact CA-O 3.25Å; G323-W332 PolarHBondContact N-O 2.85Å; G323-W332 PolarHBondContact O-N 3.22Å; T325-W332 HydrophobicContact CG2-CB 3.76Å; T325-W332 HydrophobicContact CG2-CG 4.03Å; F327-W332 HydrophobicContact CE2-CD2 4.08Å; F327-W332 HydrophobicContact CE2-CE3 4.11Å; F327-W332 HydrophobicContact CE2-CH2 4.45Å; F327-W332 HydrophobicContact CE2-CZ2 4.45Å; F327-W332 HydrophobicContact CE2-CZ3 4.29Å; F327-W332 HydrophobicContact CZ-CD2 4.4Å; F327-W332 HydrophobicContact CZ-CE3 4.4Å; A328-W332 HydrophobicContact CB-CH2 4.4Å; A328-W332 HydrophobicContact CB-CZ2 3.43Å; A328-W332 VanDerWaalsContact CB-CZ2 3.43Å; S329-W332 PolarHBondContact O-NE1 2.89Å; W332-F363 HydrophobicContact CE3-CB 4.03Å; W332-F363 HydrophobicContact CZ3-CB 4.48Å; W332-A364 WeakPolarHBondContact CA-O 3.3Å; W332-A364 VanDerWaalsContact CE3-C 3.47Å; W332-P365 HydrophobicContact CH2-CG 4.34Å; W332-P365 HydrophobicContact CZ3-CG 4.27Å
333	V	80.5	Confident	74.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143	168.8	-68.8	0	0	0	0	110.4	L278 L319 F321 C322 F363 A364 V366 I369	L278-V333 HydrophobicContact CD2-CG1 4.38Å; L319-V333 HydrophobicContact CD1-CB 3.72Å; L319-V333 HydrophobicContact CD1-CG1 3.93Å; F321-V333 CarbonylContact O-C 3.38Å; F321-V333 VanDerWaalsContact O-CA 3.25Å; F321-V333 WeakPolarHBondContact O-CA 3.49Å; C322-V333 HydrophobicContact CB-CG1 4.04Å; V333-F363 VanDerWaalsContact O-CA 3.27Å; V333-F363 WeakPolarHBondContact O-CA 3.42Å; V333-A364 HydrophobicContact CG2-CB 4.22Å; V333-A364 VanDerWaalsContact CG2-O 3.24Å; V333-A364 WeakPolarHBondContact CG2-O 3.48Å; V333-A364 PolarHBondContact N-O 3.21Å; V333-A364 PolarHBondContact O-N 3.29Å; V333-V366 HydrophobicContact CG1-CG2 4.06Å; V333-I369 HydrophobicContact CB-CD1 4.32Å; V333-I369 HydrophobicContact CG1-CD1 3.83Å; V333-I369 HydrophobicContact CG2-CD1 4.05Å; V333-I369 HydrophobicContact CG2-CG1 4.33Å; V333-I369 HydrophobicContact CG2-CG2 3.62Å
334	G	83.6	Confident	75.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.6	170.3	0	0	0	0	0	109.3	R320 F321 I362	R320-G334 PolarHBondContact N-O 2.75Å; F321-G334 PolarHBondContact N-O 3Å; F321-G334 PolarHBondContact O-N 2.9Å; G334-I362 WeakPolarHBondContact CA-O 3.32Å
335	V	87.1	Confident	75.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133	-178.9	-178.1	0	0	0	0	108.3	V289 L291 L319 L337 F354 I362	V289-V335 HydrophobicContact CG2-CB 4.49Å; V289-V335 HydrophobicContact CG2-CG1 3.88Å; V289-V335 HydrophobicContact CG2-CG2 3.71Å; L291-V335 HydrophobicContact CD2-CG2 4Å; L319-V335 HydrophobicContact CD1-CG2 4.08Å; V335-L337 HydrophobicContact CG1-CD2 4.19Å; V335-F354 WeakPolarHBondContact O-CZ 3.41Å; V335-I362 HydrophobicContact CB-CG2 4.09Å; V335-I362 PolarHBondContact N-O 2.93Å; V335-I362 PolarHBondContact O-N 3.39Å
336	E	87.8	Confident	76.2	Confident	32 Å²	32	56.4 Å²	56.4	15%	0.15	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.8	163	174.3	173.4	-141.2	0	0	106.9	G317 T318 R320 F354 C356 P357 L360	G317-E336 CarbonylContact C-O 3.56Å; G317-E336 WeakPolarHBondContact CA-O 3.37Å; T318-E336 PolarHBondContact N-O 3.2Å; T318-E336 PolarHBondContact O-N 3.07Å; R320-E336 HydrophobicContact CG-CB 3.68Å; R320-E336 IonicContact CZ-OE2 3.12Å; R320-E336 IonicContact NE-OE2 2.72Å; R320-E336 PolarHBondContact NE-OE2 2.9Å; R320-E336 IonicContact NH2-OE2 2.68Å; R320-E336 PolarHBondContact NH2-OE2 2.85Å; E336-F354 HydrophobicContact CB-CE2 4.37Å; E336-C356 HydrophobicContact CB-CB 3.97Å; E336-C356 HydrophobicContact CG-CB 3.59Å; E336-C356 WeakPolarHBondContact OE1-CB 3.31Å; E336-P357 WeakPolarHBondContact OE1-CD 3.38Å; E336-L360 CarbonylContact C-O 3.53Å; E336-L360 WeakPolarHBondContact CA-O 3.44Å; E336-L360 HydrophobicContact CG-CB 4.31Å
337	L	87.6	Confident	76.6	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	153.9	176.2	-63.5	-177	0	0	0	110.8	L291 Q315 T316 V335 E339 E341 L360 I362	L291-L337 HydrophobicContact CD1-CD2 3.83Å; Q315-L337 HydrophobicContact CB-CD2 3.97Å; T316-L337 WeakPolarHBondContact O-CA 3.24Å; V335-L337 HydrophobicContact CG1-CD2 4.19Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 WeakPolarHBondContact CB-O 3.28Å; L337-E341 HydrophobicContact CD1-CB 4.28Å; L337-L360 PolarHBondContact N-O 2.9Å; L337-L360 VanDerWaalsContact O-CD2 3.25Å; L337-L360 WeakPolarHBondContact O-CD2 3.25Å; L337-I362 HydrophobicContact CD1-CG2 4.09Å; L337-I362 HydrophobicContact CD2-CG2 3.84Å; L337-I362 HydrophobicContact CG-CG2 3.81Å
338	D	84.8	Confident	76.8	Confident	64 Å²	64	48.7 Å²	48.7	34%	0.342	27%	0.273	S	S	.	.	S	Bend	trans	-73.5	-29.1	174.7	-55.8	-49.5	0	0	0	111.4	R288 T316	R288-D338 IonicContact CZ-OD1 3.07Å; R288-D338 IonicContact CZ-OD2 3.68Å; R288-D338 IonicContact NE-OD1 3.1Å; R288-D338 IonicContact NE-OD2 3.56Å; R288-D338 IonicContact NH2-OD1 2.7Å; R288-D338 PolarHBondContact NH2-OD1 3.31Å; R288-D338 IonicContact NH2-OD2 3.18Å; R288-D338 PolarHBondContact NH2-OD2 2.98Å; T316-D338 VanDerWaalsContact C-OD2 3.25Å; T316-D338 VanDerWaalsContact CB-OD2 3.24Å; T316-D338 WeakPolarHBondContact CB-OD2 3.38Å; T316-D338 PolarHBondContact O-N 2.99Å; T316-D338 PolarHBondContact OG1-OD2 3.46Å
339	E	85.6	Confident	77.4	Confident	131 Å²	131	51.3 Å²	51.3	61%	0.612	30%	0.303	S	S	*	.	S	Bend	trans	-118.1	149.8	-179.6	-68.9	-62.7	160	0	0	112.2	L337 E341 L360	L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 WeakPolarHBondContact CB-O 3.28Å; E339-E341 HydrophobicContact CB-CG 4.49Å; E339-E341 PolarHBondContact O-N 2.91Å; E339-L360 WeakPolarHBondContact O-CD2 3.47Å
340	P	82.1	Confident	78.1	Confident	78 Å²	78	49.5 Å²	49.5	51%	0.506	30%	0.303	S	S	.	.	S	Bend	trans	-77.8	48.2	-167.7	33.4	-37.5	0	0	0	115	K359 L360	P340-K359 CarbonylContact C-O 3.41Å; P340-K359 WeakPolarHBondContact CA-O 3.2Å; P340-K359 HydrophobicContact CB-CB 4.42Å; P340-L360 HydrophobicContact CB-CD2 4.15Å; P340-L360 HydrophobicContact CB-CG 4.45Å
341	E	82.1	Confident	78.1	Confident	119 Å²	119	49.4 Å²	49.4	56%	0.556	29%	0.292	S	S	*	.			trans	-97.6	-0	177.7	-54.8	-163.8	144.3	0	0	113.8	Q315 L337 E339 K359	Q315-E341 PolarHBondContact NE2-OE2 3.28Å; L337-E341 HydrophobicContact CD1-CB 4.28Å; E339-E341 HydrophobicContact CB-CG 4.49Å; E339-E341 PolarHBondContact O-N 2.91Å; E341-K359 PolarHBondContact N-O 3.49Å
342	G	83.5	Confident	78.5	Confident	10 Å²	10	54.5 Å²	54.5	10%	0.103	31%	0.31	C	S	.	.			trans	-68.6	164.3	179.4	0	0	0	0	0	113.5	K359 G361	G342-K359 WeakPolarHBondContact CA-O 3.27Å; G342-K359 PolarHBondContact N-O 3.43Å; G342-K359 WeakPolarHBondContact O-CA 3.36Å; G342-G361 CarbonylContact C-O 3.44Å; G342-G361 WeakPolarHBondContact CA-O 3.32Å
343	K	82.5	Confident	77.8	Confident	160 Å²	160	53.9 Å²	53.9	70%	0.696	31%	0.308	S	S	*	.	S	Bend	trans	-99.9	-9.9	-173.3	-64.3	171	-173.9	160.3	0	113.4	G361	K343-G361 PolarHBondContact N-O 2.96Å
344	N	85.4	Confident	77.4	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.123	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-153.8	-175.5	-175.3	56	79.7	0	0	0	112.7	G346 S347 K359 L360 G361 F363	N344-G346 VanDerWaalsContact OD1-CA 3.28Å; N344-G346 WeakPolarHBondContact OD1-CA 3.26Å; N344-G346 PolarHBondContact OD1-N 2.71Å; N344-S347 WeakPolarHBondContact CB-O 3.29Å; N344-K359 PolarHBondContact O-N 3.42Å; N344-K359 VanDerWaalsContact O-N 3.14Å; N344-L360 PolarHBondContact O-N 3.19Å; N344-G361 VanDerWaalsContact CG-O 3.27Å; N344-G361 PolarHBondContact N-O 3.48Å; N344-G361 PolarHBondContact ND2-O 3.29Å; N344-G361 VanDerWaalsContact ND2-O 3.14Å; N344-G361 WeakPolarHBondContact O-CA 3.48Å; N344-G361 PolarHBondContact O-N 3.34Å; N344-G361 WeakPolarHBondContact OD1-CA 3.2Å; N344-G361 PolarHBondContact OD1-O 3.07Å; N344-F363 WeakPolarHBondContact ND2-CD2 3.5Å
345	D	81.9	Confident	76.7	Confident	36 Å²	36	60.9 Å²	60.9	19%	0.193	34%	0.343	C	S	.	.	S	Bend	trans	-103.4	14.2	173.6	72.5	-35.9	0	0	0	112.5	S347 R352 C356	D345-S347 VanDerWaalsContact OD1-CB 3.31Å; D345-S347 WeakPolarHBondContact OD1-CB 3.35Å; D345-S347 PolarHBondContact OD1-N 3.45Å; D345-S347 PolarHBondContact OD1-OG 3.23Å; D345-R352 IonicContact OD2-CZ 2.84Å; D345-R352 IonicContact OD2-NE 2.7Å; D345-R352 IonicContact OD2-NH2 3.23Å; D345-R352 PolarHBondContact OD2-NH2 2.96Å; D345-C356 PolarHBondContact O-N 3.22Å; D345-C356 VanDerWaalsContact O-O 3.13Å; D345-C356 PolarHBondContact O-SG 2.84Å; D345-C356 VanDerWaalsContact O-SG 3.42Å
346	G	68.6	Low	76.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	94.3	3.5	-166.9	0	0	0	0	0	114.5	N344 Y353 F354	N344-G346 VanDerWaalsContact OD1-CA 3.28Å; N344-G346 WeakPolarHBondContact OD1-CA 3.26Å; N344-G346 PolarHBondContact OD1-N 2.71Å; G346-Y353 PolarHBondContact O-N 3.4Å; G346-F354 CarbonylContact C-O 3.57Å; G346-F354 WeakPolarHBondContact CA-O 3.15Å; G346-F354 PolarHBondContact O-N 3.43Å
347	S	71.2	Confident	75.9	Confident	32 Å²	32	63.1 Å²	63.1	22%	0.224	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150.5	171.8	76.4	0	0	0	0	114.1	N344 D345 V351	N344-S347 WeakPolarHBondContact CB-O 3.29Å; D345-S347 VanDerWaalsContact OD1-CB 3.31Å; D345-S347 WeakPolarHBondContact OD1-CB 3.35Å; D345-S347 PolarHBondContact OD1-N 3.45Å; D345-S347 PolarHBondContact OD1-OG 3.23Å; S347-V351 CarbonylContact C-O 3.59Å; S347-V351 WeakPolarHBondContact CA-O 3.4Å; S347-V351 WeakPolarHBondContact CB-O 3.43Å
348	V	68.4	Low	75.7	Confident	43 Å²	43	67.9 Å²	67.9	26%	0.261	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	129.7	174.6	-178.7	0	0	0	0	108.6	F327 G350 V351 Y353 F363	F327-V348 HydrophobicContact CB-CG1 3.88Å; F327-V348 HydrophobicContact CD1-CB 3.58Å; F327-V348 HydrophobicContact CD1-CG1 3.54Å; F327-V348 HydrophobicContact CD1-CG2 4.05Å; F327-V348 HydrophobicContact CE1-CB 3.91Å; F327-V348 HydrophobicContact CE1-CG1 4.2Å; F327-V348 HydrophobicContact CE1-CG2 3.86Å; F327-V348 HydrophobicContact CG-CB 4.33Å; F327-V348 HydrophobicContact CG-CG1 3.77Å; V348-G350 PolarHBondContact O-N 3.35Å; V348-V351 PolarHBondContact N-O 2.99Å; V348-V351 PolarHBondContact O-N 3.26Å; V348-V351 VanDerWaalsContact O-N 3.09Å; V348-Y353 HydrophobicContact CB-CE2 4.27Å; V348-F363 HydrophobicContact CG2-CD2 3.65Å; V348-F363 HydrophobicContact CG2-CE2 3.43Å; V348-F363 VanDerWaalsContact CG2-CE2 3.43Å; V348-F363 HydrophobicContact CG2-CZ 4.25Å
349	G	68.3	Low	75.8	Confident	84 Å²	84	71.4 Å²	71.4	87%	0.866	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	22.2	177.7	0	0	0	0	0	114.8	V351	G349-V351 VanDerWaalsContact C-N 3.3Å
350	G	68.8	Low	75.7	Confident	78 Å²	78	66.4 Å²	66.4	80%	0.804	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-8.8	-173.9	0	0	0	0	0	114.5	V348	V348-G350 PolarHBondContact O-N 3.35Å
351	V	55.8	Low	75.9	Confident	44 Å²	44	62.7 Å²	62.7	27%	0.267	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.6	176.9	-177.8	0	0	0	0	109.6	S347 V348 G349 Y353	S347-V351 CarbonylContact C-O 3.59Å; S347-V351 WeakPolarHBondContact CA-O 3.4Å; S347-V351 WeakPolarHBondContact CB-O 3.43Å; V348-V351 PolarHBondContact N-O 2.99Å; V348-V351 PolarHBondContact O-N 3.26Å; V348-V351 VanDerWaalsContact O-N 3.09Å; G349-V351 VanDerWaalsContact C-N 3.3Å; V351-Y353 HydrophobicContact CB-CE2 4.04Å; V351-Y353 HydrophobicContact CG1-CE1 4.18Å; V351-Y353 HydrophobicContact CG1-CE2 3.93Å; V351-Y353 WeakPolarHBondContact O-CD2 3.15Å; V351-Y353 VanDerWaalsContact O-CE2 3.3Å; V351-Y353 WeakPolarHBondContact O-CE2 3.26Å
352	R	73.8	Confident	76.2	Confident	150 Å²	150	57.5 Å²	57.5	57%	0.566	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	128	-177.8	-178.3	170.4	-83.8	151.7	-1.6	111.2	D345 F354	D345-R352 IonicContact OD2-CZ 2.84Å; D345-R352 IonicContact OD2-NE 2.7Å; D345-R352 IonicContact OD2-NH2 3.23Å; D345-R352 PolarHBondContact OD2-NH2 2.96Å; R352-F354 WeakPolarHBondContact CG-O 3.23Å
353	Y	64.9	Low	76.3	Confident	40 Å²	40	58.2 Å²	58.2	16%	0.157	33%	0.334	C	S	.	.	S	Bend	trans	-111.3	-31.2	-177.3	-54.9	-94.8	0	0	0	112.2	F321 T325 E326 F327 G346 V348 V351 F363	F321-Y353 HydrophobicContact CE1-CD1 4.18Å; F321-Y353 AromaticContact CE2-CD1 3.93Å; F321-Y353 HydrophobicContact CE2-CD1 3.93Å; F321-Y353 HydrophobicContact CE2-CG 4.48Å; F321-Y353 AromaticContact CZ-CD1 3.7Å; F321-Y353 HydrophobicContact CZ-CD1 3.7Å; F321-Y353 HydrophobicContact CZ-CG 4.44Å; T325-Y353 HydrophobicContact CG2-CD1 4.21Å; T325-Y353 HydrophobicContact CG2-CE1 3.84Å; E326-Y353 PolarHBondContact N-OH 3.27Å; F327-Y353 HydrophobicContact CD1-CE2 4.06Å; F327-Y353 AromaticContact CE1-CE2 3.92Å; F327-Y353 HydrophobicContact CE1-CE2 3.92Å; G346-Y353 PolarHBondContact O-N 3.4Å; V348-Y353 HydrophobicContact CB-CE2 4.27Å; V351-Y353 HydrophobicContact CB-CE2 4.04Å; V351-Y353 HydrophobicContact CG1-CE1 4.18Å; V351-Y353 HydrophobicContact CG1-CE2 3.93Å; V351-Y353 WeakPolarHBondContact O-CD2 3.15Å; V351-Y353 VanDerWaalsContact O-CE2 3.3Å; V351-Y353 WeakPolarHBondContact O-CE2 3.26Å; Y353-F363 AromaticContact CD2-CE1 3.91Å; Y353-F363 HydrophobicContact CD2-CE1 3.91Å; Y353-F363 HydrophobicContact CD2-CE2 4.42Å; Y353-F363 AromaticContact CD2-CZ 3.49Å; Y353-F363 HydrophobicContact CD2-CZ 3.49Å; Y353-F363 VanDerWaalsContact CD2-CZ 3.49Å; Y353-F363 HydrophobicContact CE2-CZ 4.36Å; Y353-F363 AromaticContact CG-CE1 3.83Å; Y353-F363 HydrophobicContact CG-CE1 3.83Å; Y353-F363 AromaticContact CG-CZ 3.79Å; Y353-F363 HydrophobicContact CG-CZ 3.79Å
354	F	70.9	Confident	76.4	Confident	16 Å²	16	51.1 Å²	51.1	7%	0.07	31%	0.305	C	S	.	.			trans	-148.2	179.4	169.4	61.8	-79.1	0	0	0	110.2	R320 F321 V335 E336 G346 R352 C356 F363	R320-F354 HydrophobicContact CB-CB 3.71Å; R320-F354 HydrophobicContact CB-CD2 3.55Å; R320-F354 HydrophobicContact CB-CE2 4.22Å; R320-F354 HydrophobicContact CB-CG 3.7Å; R320-F354 HydrophobicContact CG-CD2 3.92Å; R320-F354 HydrophobicContact CG-CE2 4.42Å; F321-F354 HydrophobicContact CB-CB 4.36Å; F321-F354 HydrophobicContact CB-CD1 3.89Å; F321-F354 HydrophobicContact CB-CG 4.46Å; V335-F354 WeakPolarHBondContact O-CZ 3.41Å; E336-F354 HydrophobicContact CB-CE2 4.37Å; G346-F354 CarbonylContact C-O 3.57Å; G346-F354 WeakPolarHBondContact CA-O 3.15Å; G346-F354 PolarHBondContact O-N 3.43Å; R352-F354 WeakPolarHBondContact CG-O 3.23Å; F354-C356 HydrophobicContact CD2-CB 4.39Å; F354-C356 HydrophobicContact CE2-CB 4.24Å; F354-C356 VanDerWaalsContact CE2-SG 3.54Å; F354-F363 HydrophobicContact CD1-CE1 4.24Å; F354-F363 AromaticContact CD1-CZ 3.9Å; F354-F363 HydrophobicContact CD1-CZ 3.9Å; F354-F363 AromaticContact CE1-CE1 3.86Å; F354-F363 HydrophobicContact CE1-CE1 3.86Å; F354-F363 AromaticContact CE1-CE2 3.82Å; F354-F363 HydrophobicContact CE1-CE2 3.82Å; F354-F363 AromaticContact CE1-CZ 3.46Å; F354-F363 HydrophobicContact CE1-CZ 3.46Å; F354-F363 VanDerWaalsContact CE1-CZ 3.46Å
355	I	70.4	Confident	76	Confident	131 Å²	131	52 Å²	52	67%	0.672	31%	0.312	S	S	*	.			trans	-122.2	130	174.8	-65.5	161.7	0	0	0	107.9
356	C	73.4	Confident	75.7	Confident	10 Å²	10	51 Å²	51	7%	0.068	31%	0.307	C	S	.	.			trans	-150.5	165.1	165.7	58.1	0	0	0	0	108.3	E336 D345 F354 L360 G361	E336-C356 HydrophobicContact CB-CB 3.97Å; E336-C356 HydrophobicContact CG-CB 3.59Å; E336-C356 WeakPolarHBondContact OE1-CB 3.31Å; D345-C356 PolarHBondContact O-N 3.22Å; D345-C356 VanDerWaalsContact O-O 3.13Å; D345-C356 PolarHBondContact O-SG 2.84Å; D345-C356 VanDerWaalsContact O-SG 3.42Å; F354-C356 HydrophobicContact CD2-CB 4.39Å; F354-C356 HydrophobicContact CE2-CB 4.24Å; F354-C356 VanDerWaalsContact CE2-SG 3.54Å; C356-L360 HydrophobicContact CB-CB 4.26Å; C356-G361 WeakPolarHBondContact SG-CA 3.2Å; C356-G361 PolarHBondContact SG-N 3.25Å
357	P	84.4	Confident	76	Confident	71 Å²	71	56.4 Å²	56.4	46%	0.461	35%	0.345	S	S	.	.	S	Bend	trans	-63.9	157.3	174.9	-12.1	23.2	0	0	0	111.8	E336 K359 L360	E336-P357 WeakPolarHBondContact OE1-CD 3.38Å; P357-K359 PolarHBondContact O-N 3.33Å; P357-L360 HydrophobicContact CB-CD1 3.72Å; P357-L360 HydrophobicContact CG-CD1 3.56Å; P357-L360 WeakPolarHBondContact O-CB 3.41Å; P357-L360 PolarHBondContact O-N 3.27Å; P357-L360 VanDerWaalsContact O-N 3.08Å
358	P	83.1	Confident	76.3	Confident	105 Å²	105	58.8 Å²	58.8	68%	0.682	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.9	-176.3	-25	34.6	0	0	0	112.4	L360	P358-L360 VanDerWaalsContact C-N 3.32Å
359	K	86.8	Confident	76.9	Confident	139 Å²	139	57.7 Å²	57.7	60%	0.604	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	18.2	-173.8	-47	178.5	179	179.4	0	115.3	P340 E341 G342 N344 P357	P340-K359 CarbonylContact C-O 3.41Å; P340-K359 WeakPolarHBondContact CA-O 3.2Å; P340-K359 HydrophobicContact CB-CB 4.42Å; E341-K359 PolarHBondContact N-O 3.49Å; G342-K359 WeakPolarHBondContact CA-O 3.27Å; G342-K359 PolarHBondContact N-O 3.43Å; G342-K359 WeakPolarHBondContact O-CA 3.36Å; N344-K359 PolarHBondContact O-N 3.42Å; N344-K359 VanDerWaalsContact O-N 3.14Å; P357-K359 PolarHBondContact O-N 3.33Å
360	L	82.8	Confident	77.5	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	32%	0.318	C	S	.	.			trans	-105.5	-16.7	167.7	-68.4	159.4	0	0	0	112.3	E336 L337 E339 P340 N344 C356 P357 P358	E336-L360 CarbonylContact C-O 3.53Å; E336-L360 WeakPolarHBondContact CA-O 3.44Å; E336-L360 HydrophobicContact CG-CB 4.31Å; L337-L360 PolarHBondContact N-O 2.9Å; L337-L360 VanDerWaalsContact O-CD2 3.25Å; L337-L360 WeakPolarHBondContact O-CD2 3.25Å; E339-L360 WeakPolarHBondContact O-CD2 3.47Å; P340-L360 HydrophobicContact CB-CD2 4.15Å; P340-L360 HydrophobicContact CB-CG 4.45Å; N344-L360 PolarHBondContact O-N 3.19Å; C356-L360 HydrophobicContact CB-CB 4.26Å; P357-L360 HydrophobicContact CB-CD1 3.72Å; P357-L360 HydrophobicContact CG-CD1 3.56Å; P357-L360 WeakPolarHBondContact O-CB 3.41Å; P357-L360 PolarHBondContact O-N 3.27Å; P357-L360 VanDerWaalsContact O-N 3.08Å; P358-L360 VanDerWaalsContact C-N 3.32Å
361	G	85.9	Confident	77.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.5	-178.7	0	0	0	0	0	113.2	G342 K343 N344 C356	G342-G361 CarbonylContact C-O 3.44Å; G342-G361 WeakPolarHBondContact CA-O 3.32Å; K343-G361 PolarHBondContact N-O 2.96Å; N344-G361 VanDerWaalsContact CG-O 3.27Å; N344-G361 PolarHBondContact N-O 3.48Å; N344-G361 PolarHBondContact ND2-O 3.29Å; N344-G361 VanDerWaalsContact ND2-O 3.14Å; N344-G361 WeakPolarHBondContact O-CA 3.48Å; N344-G361 PolarHBondContact O-N 3.34Å; N344-G361 WeakPolarHBondContact OD1-CA 3.2Å; N344-G361 PolarHBondContact OD1-O 3.07Å; C356-G361 WeakPolarHBondContact SG-CA 3.2Å; C356-G361 PolarHBondContact SG-N 3.25Å
362	I	89.8	Confident	78.7	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.046	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.8	170.8	-169.4	166.6	0	0	0	111	L291 G334 V335 L337	L291-I362 HydrophobicContact CD1-CD1 4.16Å; L291-I362 HydrophobicContact CD1-CG2 3.52Å; G334-I362 WeakPolarHBondContact CA-O 3.32Å; V335-I362 HydrophobicContact CB-CG2 4.09Å; V335-I362 PolarHBondContact N-O 2.93Å; V335-I362 PolarHBondContact O-N 3.39Å; L337-I362 HydrophobicContact CD1-CG2 4.09Å; L337-I362 HydrophobicContact CD2-CG2 3.84Å; L337-I362 HydrophobicContact CG-CG2 3.81Å
363	F	85.7	Confident	78.4	Confident	26 Å²	26	55.3 Å²	55.3	11%	0.114	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135	172.5	-67.9	-94.3	0	0	0	110.5	F321 F327 W332 V333 N344 V348 Y353 F354	F321-F363 HydrophobicContact CD1-CD1 4.49Å; F321-F363 HydrophobicContact CD1-CE1 4.05Å; F321-F363 HydrophobicContact CE1-CE1 4.41Å; F327-F363 HydrophobicContact CE1-CD1 4.09Å; F327-F363 HydrophobicContact CE1-CD2 4.37Å; F327-F363 HydrophobicContact CE1-CE1 4.25Å; F327-F363 HydrophobicContact CE1-CG 4.15Å; F327-F363 HydrophobicContact CE1-CZ 4.48Å; F327-F363 HydrophobicContact CE2-CB 4.47Å; F327-F363 HydrophobicContact CZ-CB 3.83Å; F327-F363 AromaticContact CZ-CD1 3.76Å; F327-F363 HydrophobicContact CZ-CD1 3.76Å; F327-F363 HydrophobicContact CZ-CD2 4.21Å; F327-F363 HydrophobicContact CZ-CE1 4.37Å; F327-F363 AromaticContact CZ-CG 3.66Å; F327-F363 HydrophobicContact CZ-CG 3.66Å; W332-F363 HydrophobicContact CE3-CB 4.03Å; W332-F363 HydrophobicContact CZ3-CB 4.48Å; V333-F363 VanDerWaalsContact O-CA 3.27Å; V333-F363 WeakPolarHBondContact O-CA 3.42Å; N344-F363 WeakPolarHBondContact ND2-CD2 3.5Å; V348-F363 HydrophobicContact CG2-CD2 3.65Å; V348-F363 HydrophobicContact CG2-CE2 3.43Å; V348-F363 VanDerWaalsContact CG2-CE2 3.43Å; V348-F363 HydrophobicContact CG2-CZ 4.25Å; Y353-F363 AromaticContact CD2-CE1 3.91Å; Y353-F363 HydrophobicContact CD2-CE1 3.91Å; Y353-F363 HydrophobicContact CD2-CE2 4.42Å; Y353-F363 AromaticContact CD2-CZ 3.49Å; Y353-F363 HydrophobicContact CD2-CZ 3.49Å; Y353-F363 VanDerWaalsContact CD2-CZ 3.49Å; Y353-F363 HydrophobicContact CE2-CZ 4.36Å; Y353-F363 AromaticContact CG-CE1 3.83Å; Y353-F363 HydrophobicContact CG-CE1 3.83Å; Y353-F363 AromaticContact CG-CZ 3.79Å; Y353-F363 HydrophobicContact CG-CZ 3.79Å; F354-F363 HydrophobicContact CD1-CE1 4.24Å; F354-F363 AromaticContact CD1-CZ 3.9Å; F354-F363 HydrophobicContact CD1-CZ 3.9Å; F354-F363 AromaticContact CE1-CE1 3.86Å; F354-F363 HydrophobicContact CE1-CE1 3.86Å; F354-F363 AromaticContact CE1-CE2 3.82Å; F354-F363 HydrophobicContact CE1-CE2 3.82Å; F354-F363 AromaticContact CE1-CZ 3.46Å; F354-F363 HydrophobicContact CE1-CZ 3.46Å; F354-F363 VanDerWaalsContact CE1-CZ 3.46Å
364	A	83.9	Confident	77.5	Confident	10 Å²	10	60 Å²	60	8%	0.083	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.8	176.2	0	0	0	0	0	110.7	L291 W332 V333 K368	L291-A364 HydrophobicContact CD2-CB 4.33Å; W332-A364 WeakPolarHBondContact CA-O 3.3Å; W332-A364 VanDerWaalsContact CE3-C 3.47Å; V333-A364 HydrophobicContact CG2-CB 4.22Å; V333-A364 VanDerWaalsContact CG2-O 3.24Å; V333-A364 WeakPolarHBondContact CG2-O 3.48Å; V333-A364 PolarHBondContact N-O 3.21Å; V333-A364 PolarHBondContact O-N 3.29Å; A364-K368 HydrophobicContact CB-CB 4.33Å
365	P	77.9	Confident	75.9	Confident	42 Å²	42	67.6 Å²	67.6	27%	0.273	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147.9	166.5	-22.2	34.4	0	0	0	111.2	W332 S367 K368	W332-P365 HydrophobicContact CH2-CG 4.34Å; W332-P365 HydrophobicContact CZ3-CG 4.27Å; P365-S367 PolarHBondContact O-N 3.43Å; P365-S367 VanDerWaalsContact O-N 3.08Å; P365-K368 PolarHBondContact O-N 2.75Å
366	V	74.5	Confident	74.1	Confident	14 Å²	14	65.1 Å²	65.1	9%	0.085	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-54.8	-30.4	178.3	-176.3	0	0	0	0	112.4	M277 I281 Q331 V333 K368 I369	M277-V366 HydrophobicContact CE-CB 4.3Å; M277-V366 HydrophobicContact CE-CG1 3.91Å; M277-V366 HydrophobicContact CG-CG1 4.22Å; M277-V366 HydrophobicContact CG-CG2 4.49Å; I281-V366 HydrophobicContact CD1-CG1 3.58Å; Q331-V366 HydrophobicContact CB-CG2 3.72Å; V333-V366 HydrophobicContact CG1-CG2 4.06Å; V366-K368 PolarHBondContact O-N 3.37Å; V366-I369 WeakPolarHBondContact O-CG1 3.28Å
367	S	74.7	Confident	72.7	Confident	115 Å²	115	70.4 Å²	70.4	80%	0.804	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-71.3	-6.5	178.2	54.4	0	0	0	0	115.5	P365	P365-S367 PolarHBondContact O-N 3.43Å; P365-S367 VanDerWaalsContact O-N 3.08Å
368	K	77.9	Confident	70.1	Confident	81 Å²	81	73.1 Å²	73.1	35%	0.352	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-100.3	4.5	179.5	-74.4	-158	174	-173.6	0	114.5	D292 D293 A364 P365 V366	D292-K368 PolarHBondContact N-O 2.92Å; D293-K368 IonicContact OD1-NZ 2.9Å; D293-K368 PolarHBondContact OD1-NZ 2.86Å; A364-K368 HydrophobicContact CB-CB 4.33Å; P365-K368 PolarHBondContact O-N 2.75Å; V366-K368 PolarHBondContact O-N 3.37Å
369	I	81	Confident	67.6	Low	20 Å²	20	73.3 Å²	73.3	10%	0.103	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.2	-175.9	67.2	158.7	0	0	0	112.9	L278 I281 L283 V289 V290 L291 L319 V333 V366	L278-I369 HydrophobicContact CD2-CD1 4.48Å; I281-I369 HydrophobicContact CD1-CD1 4.5Å; L283-I369 HydrophobicContact CD1-CD1 3.56Å; L283-I369 HydrophobicContact CD1-CG1 4.16Å; V289-I369 HydrophobicContact CG1-CD1 4.31Å; V290-I369 WeakPolarHBondContact O-CA 3.45Å; L291-I369 HydrophobicContact CD2-CG2 3.49Å; L291-I369 VanDerWaalsContact CD2-CG2 3.49Å; L319-I369 HydrophobicContact CD1-CD1 4.26Å; L319-I369 HydrophobicContact CD2-CD1 4.41Å; V333-I369 HydrophobicContact CB-CD1 4.32Å; V333-I369 HydrophobicContact CG1-CD1 3.83Å; V333-I369 HydrophobicContact CG2-CD1 4.05Å; V333-I369 HydrophobicContact CG2-CG1 4.33Å; V333-I369 HydrophobicContact CG2-CG2 3.62Å; V366-I369 WeakPolarHBondContact O-CG1 3.28Å
370	A	80.5	Confident	65	Low	41 Å²	41	74 Å²	74	34%	0.339	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.2	173.8	0	0	0	0	0	110.4	V289 V290 A372	V289-A370 CarbonylContact C-O 3.57Å; V289-A370 VanDerWaalsContact CA-O 3.29Å; V289-A370 WeakPolarHBondContact CA-O 3.4Å; V290-A370 PolarHBondContact N-O 2.63Å; V290-A370 PolarHBondContact O-N 3.36Å; V290-A370 VanDerWaalsContact O-N 3.07Å; A370-A372 PolarHBondContact O-N 3.49Å
371	K	78.3	Confident	62.4	Low	106 Å²	106	79.2 Å²	79.2	46%	0.461	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.2	175.7	-165	164.5	-164.3	142.9	0	110.4	G282 L283 D287 V373	G282-K371 PolarHBondContact O-NZ 3.22Å; L283-K371 HydrophobicContact CD2-CB 3.61Å; L283-K371 HydrophobicContact CD2-CD 3.86Å; L283-K371 HydrophobicContact CD2-CG 3.61Å; D287-K371 WeakPolarHBondContact OD2-CE 2.96Å; D287-K371 IonicContact OD2-NZ 2.75Å; D287-K371 PolarHBondContact OD2-NZ 3.25Å; K371-V373 PolarHBondContact O-N 2.84Å
372	A	72.1	Confident	59.5	Low	28 Å²	28	84.6 Å²	84.6	23%	0.231	52%	0.519	C	S	.	.			trans	-70.7	125.7	168.5	0	0	0	0	0	109	R288 V290 A370 E374	R288-A372 HydrophobicContact CB-CB 3.83Å; R288-A372 WeakPolarHBondContact O-CB 3.26Å; R288-A372 PolarHBondContact O-N 2.89Å; V290-A372 HydrophobicContact CG2-CB 3.99Å; A370-A372 PolarHBondContact O-N 3.49Å; A372-E374 PolarHBondContact O-N 3.45Å
373	V	67	Low	56.6	Low	132 Å²	132	90.3 Å²	90.3	80%	0.8	56%	0.555	S	S	*	*			trans	-86.4	106	175	-179.6	0	0	0	0	108.1	K371 L375	K371-V373 PolarHBondContact O-N 2.84Å; V373-L375 PolarHBondContact O-N 2.97Å
374	E	46.1	Very low	54	Low	138 Å²	138	94.1 Å²	94.1	65%	0.645	58%	0.582	S	S	*	*			trans	-73.9	111.5	173.2	-70.8	-171.2	167.5	0	0	110.6	A372	A372-E374 PolarHBondContact O-N 3.45Å
375	L	37.3	Very low	51.3	Low	176 Å²	176	102.9 Å²	102.9	92%	0.921	62%	0.618	S	S	*	*			trans	-76.8	112	156	-73.9	166.4	0	0	0	107.6	V373	V373-L375 PolarHBondContact O-N 2.97Å
376	A	32.3	Very low	49.1	Very low	79 Å²	79	106.6 Å²	106.6	65%	0.653	64%	0.64	S	S	*	*			trans	-123.2	151.4	-178.8	0	0	0	0	0	111.3
377	P	45.1	Very low	46.8	Very low	120 Å²	120	111.9 Å²	111.9	78%	0.779	68%	0.675	S	S	*	*			cis	-131.6	-179.3	-20.9	35.4	-17.7	0	0	0	113
378	S	29.6	Very low	44.5	Very low	128 Å²	128	117.8 Å²	117.8	90%	0.895	68%	0.68	S	S	*	*			trans	-134.2	125.9	157.8	-71.3	0	0	0	0	110.1
379	S	31.1	Very low	42	Very low	110 Å²	110	123.1 Å²	123.1	77%	0.769	71%	0.708	S	S	*	*			trans	-86.4	141.3	-170.2	50.7	0	0	0	0	113.5
380	V	30.9	Very low	39.3	Very low	153 Å²	153	129 Å²	129	93%	0.927	74%	0.74	S	S	*	*			trans	-145.8	134.3	143.2	-106.8	0	0	0	0	111.4
381	T	28.6	Very low	36.9	Very low	135 Å²	135	137 Å²	137	83%	0.828	77%	0.767	S	S	*	*			trans	-91.8	132.6	-174.7	-60.4	0	0	0	0	111.3
382	S	26.2	Very low	34.4	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	78%	0.778	S	S	*	*			trans	-158.9	112.9	146.6	54.3	0	0	0	0	112.3
383	T	28.5	Very low	32.2	Very low	129 Å²	129	146.3 Å²	146.3	79%	0.791	81%	0.809	S	S	*	*			trans	-110.6	151.9	152.8	64.6	0	0	0	0	106.2
384	P	31.6	Very low	30.3	Very low	105 Å²	105	145.5 Å²	145.5	68%	0.682	80%	0.804	S	S	*	*				-156.7	168.7	81.4	41.1	-21.3	0	0	0	118.3
385	K	25.6	Very low	29.4	Very low	194 Å²	194	145.7 Å²	145.7	84%	0.843	82%	0.815	S	S	*	*			trans	76	113.9	147.9	-75.6	158.1	-174.5	179.1	0	120.9
386	T	31.9	Very low	28.9	Very low	120 Å²	120	140.8 Å²	140.8	74%	0.736	81%	0.807	S	S	*	*			trans	-69.4	152.1	144.3	48.9	0	0	0	0	111.4
387	P	26.3	Very low	28.8	Very low	126 Å²	126	146.6 Å²	146.6	82%	0.818	82%	0.817	S	S	*	*			trans	-85.8	113.6	162.4	30.9	-27.2	0	0	0	110.4
388	R	26.1	Very low	28.1	Very low	239 Å²	239	148.4 Å²	148.4	90%	0.902	82%	0.82	S	S	*	*			trans	-82.9	138	152.2	-77.6	179.3	173.4	158.4	-2.7	107.8
389	M	26	Very low	28.1	Very low	193 Å²	193	152.2 Å²	152.2	95%	0.951	82%	0.821	S	S	*	*			trans	-125.1	125.3	153.8	-72.5	-157.6	-72	0	0	108.6
390	D	25	Very low	28.2	Very low	143 Å²	143	156 Å²	156	77%	0.765	82%	0.824	S	S	*	*			trans	-136.3	126	169	-177.7	10.5	0	0	0	106
391	F	28.9	Very low	28.4	Very low	208 Å²	208	157.4 Å²	157.4	91%	0.912	82%	0.82	S	S	*	*			trans	-145.1	126.4	164.3	-98.8	-73.3	0	0	0	108.9
392	S	26	Very low	28.7	Very low	100 Å²	100	161 Å²	161	70%	0.699	82%	0.824	S	S	*	*			trans	-78.7	162	179.7	65.6	0	0	0	0	112.7
393	R	27.2	Very low	29.1	Very low	230 Å²	230	165.2 Å²	165.2	87%	0.868	83%	0.828	S	S	*	*			trans	98.2	123	141.3	-123.6	-179.3	-166.2	173	4.5	119.2
394	V	26	Very low	29.4	Very low	115 Å²	115	166.2 Å²	166.2	70%	0.697	82%	0.824	S	S	*	*			trans	112.5	121.9	142.9	-174.7	0	0	0	0	118.2
395	T	26.9	Very low	30	Very low	143 Å²	143	168.3 Å²	168.3	88%	0.877	83%	0.828	S	S	*	*			trans	65.5	139.4	164.1	50.2	0	0	0	0	120.2
396	G	27.5	Very low	30.6	Very low	73 Å²	73	168 Å²	168	75%	0.753	83%	0.831	S	S	*	*			trans	169.5	-3.1	160.3	0	0	0	0	0	123.9
397	K	29.9	Very low	30.9	Very low	201 Å²	201	170.6 Å²	170.6	87%	0.874	84%	0.835	S	S	*	*			trans	61.6	152.4	167.1	-71.8	-179.3	175	175.9	0	120.3
398	N	29.8	Very low	31.3	Very low	157 Å²	157	174.5 Å²	174.5	84%	0.84	83%	0.833	S	S	*	*			trans	75.2	93.2	155.8	-64.1	1.6	0	0	0	120.5
399	K	30.5	Very low	31.9	Very low	208 Å²	208	172 Å²	172	90%	0.904	83%	0.832	S	S	*	*			trans	-113.6	95.1	164.9	177.8	-171.2	-175.6	179.6	0	109.3
400	K	33.5	Very low	32.3	Very low	191 Å²	191	172.7 Å²	172.7	83%	0.83	83%	0.83	S	S	*	*			trans	-170.8	170	160.1	-113.8	179.1	176.9	-170.8	0	109.7
401	E	34.4	Very low	32.8	Very low	181 Å²	181	169.8 Å²	169.8	85%	0.846	83%	0.826	S	S	*	*	S	Bend	trans	70.7	59.3	175.4	-57.4	-178.4	179.1	0	0	117.9
402	K	34.5	Very low	33.2	Very low	211 Å²	211	167.7 Å²	167.7	92%	0.917	82%	0.823	S	S	*	*	S	Bend	trans	-160.6	33.9	145	-118.3	170	-173.2	179	0	115.4
403	K	35.4	Very low	33.3	Very low	203 Å²	203	174.7 Å²	174.7	88%	0.883	83%	0.834	S	S	*	*	S	Bend	trans	-135.6	17.7	179.3	-142.6	-173.2	179.1	-173.4	0	115.5
404	E	35.4	Very low	33.4	Very low	149 Å²	149	173.6 Å²	173.6	70%	0.696	84%	0.836	S	S	*	*	S	Bend	trans	-128.7	9.1	-175.1	-69.4	-177.3	152.8	0	0	114.5
405	I	42.9	Very low	33.5	Very low	150 Å²	150	177.6 Å²	177.6	77%	0.769	84%	0.844	S	S	*	*	S	Bend	trans	-104.5	-21.5	-176.2	-64.7	178	0	0	0	113.1
406	M	39	Very low	33.6	Very low	186 Å²	186	175.8 Å²	175.8	92%	0.916	84%	0.837	S	S	*	*	S	Bend	trans	-93.2	1.4	-175.1	-153.8	170.2	70.6	0	0	115.2
407	E	38.4	Very low	33.5	Very low	176 Å²	176	181.3 Å²	181.3	82%	0.822	85%	0.846	S	S	*	*	S	Bend	trans	-109.3	-4.1	177.8	-69	-160.3	141.6	0	0	114.4
408	R	35.1	Very low	33.4	Very low	207 Å²	207	176.8 Å²	176.8	78%	0.781	84%	0.84	S	S	*	*	S	Bend	trans	-91.5	-12.2	-174.5	-113.5	178.2	-179.7	124.7	-0.6	116.2
409	E	37.6	Very low	33.5	Very low	188 Å²	188	176.3 Å²	176.3	88%	0.879	84%	0.842	S	S	*	*	S	Bend	trans	-89.2	-12.6	179.2	-68.2	-159.1	130	0	0	114.9
410	K	34.7	Very low	33.4	Very low	206 Å²	206	170.1 Å²	170.1	90%	0.896	83%	0.83	S	S	*	*	S	Bend	trans	-89.3	1.1	-177.5	-79.8	-176.5	174.3	177.4	0	115.5
411	A	35.6	Very low	33.2	Very low	83 Å²	83	166.2 Å²	166.2	69%	0.686	83%	0.826	S	S	*	*	S	Bend	trans	-104.2	-3	-170.5	0	0	0	0	0	116
412	L	36.1	Very low	33.2	Very low	163 Å²	163	162.4 Å²	162.4	85%	0.853	81%	0.811	S	S	*	*	S	Bend	trans	-128	42.3	-166.7	-100.3	156.4	0	0	0	115.2
413	R	29.7	Very low	33.6	Very low	247 Å²	247	156 Å²	156	93%	0.932	79%	0.787	S	S	*	*	S	Bend	trans	-146.2	38.6	163.5	-147	166	179.1	170	-2.4	116.1
414	K	29.5	Very low	33.6	Very low	208 Å²	208	152.5 Å²	152.5	90%	0.904	79%	0.785	S	S	*	*			trans	-131.8	91.5	162.8	-91.3	-172.1	175.6	177.9	0	112.1
415	K	27.6	Very low	33.9	Very low	198 Å²	198	152.7 Å²	152.7	86%	0.861	79%	0.791	S	S	*	*			trans	-151.4	115.7	143.7	-130.4	175.9	-176.6	179.2	0	111.1
416	S	29.6	Very low	34.2	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	79%	0.788	S	S	*	*			trans	37.9	108.2	153.7	56.7	0	0	0	0	119.9
417	M	24.8	Very low	34.8	Very low	188 Å²	188	143.9 Å²	143.9	93%	0.926	77%	0.768	S	S	*	*			trans	-142.6	159.7	133.3	-80.4	-151	73.5	0	0	110.5
418	S	26.4	Very low	35.7	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	76%	0.757	S	S	*	*			trans	-89.7	176	-163.3	49	0	0	0	0	115.1	A420	S418-A420 PolarHBondContact O-N 3.48Å
419	V	32.2	Very low	37	Very low	146 Å²	146	133.3 Å²	133.3	89%	0.885	73%	0.727	S	S	*	*	S	Bend	trans	-43.7	116.9	169.9	179.7	0	0	0	0	112.9
420	A	28.2	Very low	38.9	Very low	79 Å²	79	130.9 Å²	130.9	65%	0.653	72%	0.716	S	S	*	*			trans	158.8	118.3	138.8	0	0	0	0	0	113.5	S418	S418-A420 PolarHBondContact O-N 3.48Å
421	S	30	Very low	40.9	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	70%	0.702	S	S	*	*			trans	63.8	168.9	164.7	84.4	0	0	0	0	116.5
422	L	35.5	Very low	43.1	Very low	101 Å²	101	124.9 Å²	124.9	53%	0.529	69%	0.693	S	S	.	*			cis	-132.7	156.2	-12.8	-81.3	179.7	0	0	0	106.6	K428	L422-K428 HydrophobicContact CD1-CD 4.24Å; L422-K428 HydrophobicContact CD1-CG 4.33Å; L422-K428 HydrophobicContact CD2-CD 4.36Å; L422-K428 HydrophobicContact CD2-CG 3.91Å
423	D	41.4	Very low	45.3	Very low	78 Å²	78	118.3 Å²	118.3	42%	0.417	66%	0.658	S	S	.	*			cis	92.7	116.2	41.5	-165.2	26.4	0	0	0	115	D425 G426 V427	D423-D425 PolarHBondContact OD1-N 3.32Å; D423-G426 PolarHBondContact OD2-N 3.07Å; D423-V427 PolarHBondContact OD2-N 3.17Å; D423-V427 VanDerWaalsContact OD2-N 3.11Å
424	P	35	Very low	48	Very low	129 Å²	129	112.8 Å²	112.8	84%	0.838	64%	0.637	S	S	*	*	S	Bend	trans	-95.8	-14.1	165.9	-6.6	26.9	0	0	0	116.4
425	D	41.9	Very low	50.8	Low	152 Å²	152	102.9 Å²	102.9	81%	0.813	59%	0.594	S	S	*	*	S	Bend	trans	-115.5	14.1	-169.1	-86.2	-37.8	0	0	0	115.4	D423	D423-D425 PolarHBondContact OD1-N 3.32Å
426	G	50.1	Low	53.6	Low	70 Å²	70	95.1 Å²	95.1	72%	0.722	56%	0.562	S	S	*	*			trans	82.9	26.1	150.6	0	0	0	0	0	117.2	D423	D423-G426 PolarHBondContact OD2-N 3.07Å
427	V	51.8	Low	56	Low	81 Å²	81	90.5 Å²	90.5	49%	0.491	53%	0.53	S	S	.	.			trans	-128.2	99.5	172	-159.5	0	0	0	0	111	D423 V429	D423-V427 PolarHBondContact OD2-N 3.17Å; D423-V427 VanDerWaalsContact OD2-N 3.11Å; V427-V429 HydrophobicContact CB-CG2 4.15Å; V427-V429 HydrophobicContact CG1-CG2 3.46Å; V427-V429 VanDerWaalsContact CG1-CG2 3.46Å; V427-V429 PolarHBondContact O-N 2.61Å; V427-V429 VanDerWaalsContact O-N 3.09Å
428	K	56.7	Low	58.3	Low	135 Å²	135	84.8 Å²	84.8	59%	0.587	51%	0.512	S	S	*	.			trans	-68.9	105.2	169.8	-51.8	-159.9	-169.8	-164.9	0	109.6	L422 R497	L422-K428 HydrophobicContact CD1-CD 4.24Å; L422-K428 HydrophobicContact CD1-CG 4.33Å; L422-K428 HydrophobicContact CD2-CD 4.36Å; L422-K428 HydrophobicContact CD2-CG 3.91Å; K428-R497 PolarHBondContact O-NH1 3.2Å
429	V	63.7	Low	60.4	Low	26 Å²	26	81.8 Å²	81.8	16%	0.158	50%	0.498	C	S	.	.			trans	-128.1	129.2	175.9	-162.8	0	0	0	0	110	V427 D433 V435 I445 F459	V427-V429 HydrophobicContact CB-CG2 4.15Å; V427-V429 HydrophobicContact CG1-CG2 3.46Å; V427-V429 VanDerWaalsContact CG1-CG2 3.46Å; V427-V429 PolarHBondContact O-N 2.61Å; V427-V429 VanDerWaalsContact O-N 3.09Å; V429-D433 HydrophobicContact CG1-CB 3.85Å; V429-V435 HydrophobicContact CG1-CG1 3.98Å; V429-I445 HydrophobicContact CB-CD1 4.38Å; V429-I445 HydrophobicContact CG1-CD1 3.18Å; V429-F459 HydrophobicContact CB-CE1 4.27Å; V429-F459 HydrophobicContact CB-CZ 4.17Å; V429-F459 HydrophobicContact CG1-CE1 4.37Å
430	E	75.6	Confident	62.5	Low	137 Å²	137	80.6 Å²	80.6	64%	0.64	49%	0.491	S	S	*	.			trans	-113.3	165.4	-176.1	-64.7	-176	-179.3	0	0	112.1	G432 D433	E430-G432 PolarHBondContact O-N 3.42Å; E430-D433 PolarHBondContact N-OD2 3.37Å; E430-D433 WeakPolarHBondContact O-CB 3.14Å; E430-D433 PolarHBondContact O-N 3.18Å
431	L	77.9	Confident	65.1	Low	117 Å²	117	80.9 Å²	80.9	61%	0.613	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	128.8	173.2	-60.6	-178.3	0	0	0	109.3	I445	L431-I445 HydrophobicContact CD2-CG2 3.7Å
432	G	81.1	Confident	68	Low	47 Å²	47	80.4 Å²	80.4	49%	0.485	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-9.1	-173.8	0	0	0	0	0	115	E430 I445	E430-G432 PolarHBondContact O-N 3.42Å; G432-I445 PolarHBondContact N-O 3.05Å
433	D	83.4	Confident	70.6	Confident	24 Å²	24	75.6 Å²	75.6	13%	0.128	44%	0.438	C	S	.	.			trans	-64.6	141.2	173.6	-90.8	-36.1	0	0	0	112.2	V429 E430 V435 I444 I445 R497	V429-D433 HydrophobicContact CG1-CB 3.85Å; E430-D433 PolarHBondContact N-OD2 3.37Å; E430-D433 WeakPolarHBondContact O-CB 3.14Å; E430-D433 PolarHBondContact O-N 3.18Å; D433-V435 HydrophobicContact CB-CG1 4.42Å; D433-I444 WeakPolarHBondContact O-CA 3.45Å; D433-I445 PolarHBondContact O-N 3.05Å; D433-R497 IonicContact OD1-CZ 2.78Å; D433-R497 IonicContact OD1-NE 2.77Å; D433-R497 PolarHBondContact OD1-NE 2.88Å; D433-R497 IonicContact OD1-NH2 3.09Å; D433-R497 PolarHBondContact OD1-NH2 3.5Å; D433-R497 IonicContact OD2-CZ 3.29Å; D433-R497 VanDerWaalsContact OD2-CZ 3.25Å; D433-R497 IonicContact OD2-NE 3.92Å; D433-R497 PolarHBondContact OD2-NE 3.03Å; D433-R497 IonicContact OD2-NH1 2.67Å; D433-R497 IonicContact OD2-NH2 2.97Å; D433-R497 PolarHBondContact OD2-NH2 3Å
434	R	86.6	Confident	72.8	Confident	131 Å²	131	73.9 Å²	73.9	49%	0.494	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.4	167.1	-74.7	-168	-173.2	-132.2	10.6	110.1	G443 I444 E464 I498	R434-G443 CarbonylContact C-O 3.5Å; R434-G443 WeakPolarHBondContact CA-O 3.25Å; R434-I444 HydrophobicContact CG-CG1 4.09Å; R434-E464 IonicContact CZ-OE1 3.15Å; R434-E464 IonicContact NH1-OE1 2.76Å; R434-E464 PolarHBondContact NH1-OE1 3.15Å; R434-E464 IonicContact NH1-OE2 2.64Å; R434-I498 HydrophobicContact CB-CB 4.45Å; R434-I498 PolarHBondContact O-N 3.43Å
435	V	87.4	Confident	75.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.8	-174.7	-61.8	0	0	0	0	112.8	V429 D433 V437 Q442 G443 I445 V461 V495 Q496	V429-V435 HydrophobicContact CG1-CG1 3.98Å; D433-V435 HydrophobicContact CB-CG1 4.42Å; V435-V437 HydrophobicContact CG2-CG2 4.36Å; V435-Q442 WeakPolarHBondContact O-CA 3.49Å; V435-G443 PolarHBondContact N-O 2.69Å; V435-G443 PolarHBondContact O-N 2.85Å; V435-I445 HydrophobicContact CB-CD1 4.42Å; V435-I445 HydrophobicContact CG1-CD1 3.48Å; V435-I445 VanDerWaalsContact CG1-CD1 3.48Å; V435-I445 HydrophobicContact CG1-CG1 4.07Å; V435-I445 HydrophobicContact CG2-CD1 4.09Å; V435-I445 HydrophobicContact CG2-CG1 3.8Å; V435-V461 HydrophobicContact CG2-CG1 3.93Å; V435-V461 HydrophobicContact CG2-CG2 3.96Å; V435-V495 HydrophobicContact CB-CG1 3.67Å; V435-V495 HydrophobicContact CG1-CG1 3.72Å; V435-V495 HydrophobicContact CG2-CG1 3.87Å; V435-Q496 CarbonylContact C-O 3.48Å; V435-Q496 WeakPolarHBondContact CA-O 3.3Å; V435-Q496 WeakPolarHBondContact CB-O 3.33Å
436	L	86.4	Confident	77.4	Confident	35 Å²	35	66.4 Å²	66.4	18%	0.183	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.9	171.5	-167.2	65.9	0	0	0	108.4	Q442 Q496 I498	L436-Q442 HydrophobicContact CD1-CG 3.71Å; L436-Q496 HydrophobicContact CB-CB 4.43Å; L436-Q496 PolarHBondContact N-O 3.43Å; L436-Q496 PolarHBondContact O-N 3.15Å; L436-I498 HydrophobicContact CB-CD1 3.87Å; L436-I498 HydrophobicContact CB-CG1 3.86Å; L436-I498 HydrophobicContact CD1-CD1 4.32Å
437	V	80.8	Confident	79	Confident	10 Å²	10	65.4 Å²	65.4	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125	176.8	-178.9	0	0	0	0	109.4	V435 G439 V440 K441 V461 V488 A490 R494	V435-V437 HydrophobicContact CG2-CG2 4.36Å; V437-G439 PolarHBondContact O-N 3.07Å; V437-G439 VanDerWaalsContact O-N 3.16Å; V437-V440 PolarHBondContact O-N 3.49Å; V437-K441 HydrophobicContact CB-CB 4.35Å; V437-K441 PolarHBondContact N-O 3.21Å; V437-K441 PolarHBondContact O-N 3.33Å; V437-V461 HydrophobicContact CG2-CB 4.14Å; V437-V461 HydrophobicContact CG2-CG1 4.04Å; V437-V461 HydrophobicContact CG2-CG2 3.86Å; V437-V488 HydrophobicContact CG1-CG1 4.45Å; V437-V488 HydrophobicContact CG2-CG1 4.39Å; V437-A490 HydrophobicContact CG1-CB 3.66Å; V437-R494 WeakPolarHBondContact CA-O 3.48Å
438	A	73.4	Confident	80.6	Confident	67 Å²	67	67.1 Å²	67.1	55%	0.554	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	34	-179.9	0	0	0	0	0	114.1	V440 R494	A438-V440 PolarHBondContact O-N 3.09Å; A438-R494 PolarHBondContact N-O 2.78Å
439	G	70.4	Confident	81.3	Confident	44 Å²	44	61.1 Å²	61.1	45%	0.454	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-1.3	175.9	0	0	0	0	0	116.3	V437	V437-G439 PolarHBondContact O-N 3.07Å; V437-G439 VanDerWaalsContact O-N 3.16Å
440	V	75.4	Confident	81.6	Confident	121 Å²	121	66.2 Å²	66.2	73%	0.733	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	-36.8	-172.7	-174.4	0	0	0	0	113.7	V437 A438	V437-V440 PolarHBondContact O-N 3.49Å; A438-V440 PolarHBondContact O-N 3.09Å
441	K	83.6	Confident	81.5	Confident	86 Å²	86	60.3 Å²	60.3	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.4	-170.1	-65.6	-171.8	173.7	-172.6	0	111.8	V437 L463 T467	V437-K441 HydrophobicContact CB-CB 4.35Å; V437-K441 PolarHBondContact N-O 3.21Å; V437-K441 PolarHBondContact O-N 3.33Å; K441-L463 HydrophobicContact CB-CD1 4.43Å; K441-L463 HydrophobicContact CB-CD2 3.87Å; K441-L463 HydrophobicContact CD-CD1 4Å; K441-T467 WeakPolarHBondContact CE-OG1 3.47Å; K441-T467 PolarHBondContact NZ-O 3.48Å
442	Q	89.1	Confident	80.6	Confident	97 Å²	97	60.6 Å²	60.6	45%	0.453	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142	177.9	-58.1	-171	7.1	0	0	111.5	V435 L436 L463 E464 I498	V435-Q442 WeakPolarHBondContact O-CA 3.49Å; L436-Q442 HydrophobicContact CD1-CG 3.71Å; Q442-L463 WeakPolarHBondContact O-CA 3.35Å; Q442-L463 WeakPolarHBondContact O-CD2 3.32Å; Q442-E464 PolarHBondContact O-N 3.02Å; Q442-I498 HydrophobicContact CB-CD1 4.2Å; Q442-I498 HydrophobicContact CG-CD1 3.73Å
443	G	90.8	Very high	79.5	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-180	178.5	0	0	0	0	0	113.9	R434 V435 E462	R434-G443 CarbonylContact C-O 3.5Å; R434-G443 WeakPolarHBondContact CA-O 3.25Å; V435-G443 PolarHBondContact N-O 2.69Å; V435-G443 PolarHBondContact O-N 2.85Å; G443-E462 CarbonylContact C-O 3.57Å; G443-E462 WeakPolarHBondContact CA-O 3.47Å
444	I	87.9	Confident	77.8	Confident	42 Å²	42	60.8 Å²	60.8	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	-179.1	-61.6	171.3	0	0	0	109.1	D433 R434 R446 V461 E462	D433-I444 WeakPolarHBondContact O-CA 3.45Å; R434-I444 HydrophobicContact CG-CG1 4.09Å; I444-R446 PolarHBondContact O-N 2.94Å; I444-V461 WeakPolarHBondContact O-CA 3.17Å; I444-E462 PolarHBondContact N-O 2.7Å; I444-E462 PolarHBondContact O-N 2.84Å
445	I	88.8	Confident	76.2	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.9	173.9	-71.9	163	0	0	0	110.1	V429 L431 G432 D433 V435 F459 V461 V495	V429-I445 HydrophobicContact CB-CD1 4.38Å; V429-I445 HydrophobicContact CG1-CD1 3.18Å; L431-I445 HydrophobicContact CD2-CG2 3.7Å; G432-I445 PolarHBondContact N-O 3.05Å; D433-I445 PolarHBondContact O-N 3.05Å; V435-I445 HydrophobicContact CB-CD1 4.42Å; V435-I445 HydrophobicContact CG1-CD1 3.48Å; V435-I445 VanDerWaalsContact CG1-CD1 3.48Å; V435-I445 HydrophobicContact CG1-CG1 4.07Å; V435-I445 HydrophobicContact CG2-CD1 4.09Å; V435-I445 HydrophobicContact CG2-CG1 3.8Å; I445-F459 HydrophobicContact CD1-CD1 3.5Å; I445-F459 HydrophobicContact CD1-CE1 3.8Å; I445-F459 HydrophobicContact CD1-CG 4.2Å; I445-F459 HydrophobicContact CG1-CB 4.49Å; I445-F459 HydrophobicContact CG1-CD1 3.97Å; I445-F459 HydrophobicContact CG2-CD1 3.93Å; I445-V461 HydrophobicContact CG1-CG2 4.01Å; I445-V495 HydrophobicContact CD1-CG1 4.26Å
446	R	84.8	Confident	75.2	Confident	124 Å²	124	62.8 Å²	62.8	47%	0.468	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-14.6	174.6	-62.1	-55.6	-161.1	169.2	6.6	113.4	I444 G460 E462 F480	I444-R446 PolarHBondContact O-N 2.94Å; R446-G460 PolarHBondContact N-O 3.29Å; R446-E462 HydrophobicContact CG-CB 3.69Å; R446-E462 IonicContact CZ-OE2 3.73Å; R446-E462 IonicContact NE-OE2 3.89Å; R446-E462 PolarHBondContact NE-OE2 2.9Å; R446-E462 IonicContact NH2-OE2 2.75Å; R446-E462 PolarHBondContact NH2-OE2 3.02Å; R446-F480 HydrophobicContact CB-CB 3.64Å; R446-F480 HydrophobicContact CB-CD2 3.58Å; R446-F480 HydrophobicContact CB-CE2 4.32Å; R446-F480 HydrophobicContact CB-CG 3.72Å; R446-F480 HydrophobicContact CG-CD2 4.02Å
447	Y	84.6	Confident	74.7	Confident	49 Å²	49	66.7 Å²	66.7	19%	0.192	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	142.8	-179.2	179.3	-86.9	0	0	0	111.1	K450 T451 F459 G460 Y479 F489	Y447-K450 PolarHBondContact OH-O 2.75Å; Y447-T451 HydrophobicContact CE1-CG2 3.87Å; Y447-F459 CarbonylContact O-C 3.01Å; Y447-F459 WeakPolarHBondContact O-CA 3.23Å; Y447-G460 PolarHBondContact N-O 3.28Å; Y447-G460 VanDerWaalsContact N-O 3.08Å; Y447-G460 PolarHBondContact O-N 3.03Å; Y447-Y479 HydrophobicContact CD2-CD1 4.49Å; Y447-Y479 WeakPolarHBondContact CD2-O 3.35Å; Y447-Y479 HydrophobicContact CE1-CD1 4.21Å; Y447-Y479 AromaticContact CE2-CD1 3.91Å; Y447-Y479 HydrophobicContact CE2-CD1 3.91Å; Y447-Y479 AromaticContact CZ-CD1 3.76Å; Y447-F489 AromaticContact CD1-CE1 3.75Å; Y447-F489 HydrophobicContact CD1-CE1 3.75Å; Y447-F489 HydrophobicContact CD1-CZ 4.45Å; Y447-F489 HydrophobicContact CE1-CE1 4.25Å; Y447-F489 HydrophobicContact CG-CE1 4.44Å
448	Y	83.8	Confident	74.9	Confident	117 Å²	117	68.7 Å²	68.7	46%	0.459	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122.5	166.8	173.6	-109.2	0	0	0	108.9	Y457 W458 F459	Y448-Y457 AromaticContact CE1-CD1 3.98Å; Y448-Y457 HydrophobicContact CE1-CD1 3.98Å; Y448-Y457 HydrophobicContact CE1-CE1 4.43Å; Y448-Y457 HydrophobicContact CE2-CD1 4.11Å; Y448-Y457 HydrophobicContact CE2-CG 4.4Å; Y448-Y457 AromaticContact CZ-CD1 3.67Å; Y448-W458 WeakPolarHBondContact CA-O 3.11Å; Y448-F459 AromaticContact CD2-CD1 3.61Å; Y448-F459 HydrophobicContact CD2-CD1 3.61Å; Y448-F459 HydrophobicContact CD2-CD2 4.31Å; Y448-F459 AromaticContact CD2-CE1 3.31Å; Y448-F459 HydrophobicContact CD2-CE1 3.31Å; Y448-F459 HydrophobicContact CD2-CE2 4.05Å; Y448-F459 HydrophobicContact CD2-CG 4.12Å; Y448-F459 AromaticContact CD2-CZ 3.55Å; Y448-F459 HydrophobicContact CD2-CZ 3.55Å; Y448-F459 AromaticContact CE2-CE1 3.97Å; Y448-F459 HydrophobicContact CE2-CE1 3.97Å; Y448-F459 HydrophobicContact CE2-CE2 4.04Å; Y448-F459 AromaticContact CE2-CZ 3.7Å; Y448-F459 HydrophobicContact CE2-CZ 3.7Å; Y448-F459 HydrophobicContact CG-CD1 4.21Å; Y448-F459 AromaticContact CG-CE1 3.86Å; Y448-F459 HydrophobicContact CG-CE1 3.86Å; Y448-F459 HydrophobicContact CG-CZ 4.41Å
449	G	71.7	Confident	75.4	Confident	8 Å²	8	66.2 Å²	66.2	8%	0.082	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-175.4	-175.9	0	0	0	0	0	113.9	Y457 W458	G449-Y457 WeakPolarHBondContact O-CA 3.39Å; G449-W458 PolarHBondContact N-O 3.33Å; G449-W458 PolarHBondContact O-N 2.85Å
450	K	70.6	Confident	76.2	Confident	133 Å²	133	64.1 Å²	64.1	58%	0.578	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	142	171.1	-63.4	-177.5	178.6	-176.4	0	109.7	Y447 Y457	Y447-K450 PolarHBondContact OH-O 2.75Å; K450-Y457 HydrophobicContact CG-CE1 4.38Å; K450-Y457 HydrophobicContact CG-CE2 4.35Å
451	T	72.3	Confident	77	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154	-179.2	63.2	0	0	0	0	112.1	Y447 F453 A454 W458 Y479 F489	Y447-T451 HydrophobicContact CE1-CG2 3.87Å; T451-F453 HydrophobicContact CG2-CD1 4.34Å; T451-F453 HydrophobicContact CG2-CE1 3.51Å; T451-F453 HydrophobicContact CG2-CZ 3.68Å; T451-F453 PolarHBondContact O-N 3.42Å; T451-F453 VanDerWaalsContact OG1-CE1 3.28Å; T451-F453 WeakPolarHBondContact OG1-CE1 3.09Å; T451-F453 WeakPolarHBondContact OG1-CE2 3.2Å; T451-F453 WeakPolarHBondContact OG1-CZ 3.45Å; T451-A454 PolarHBondContact OG1-O 2.97Å; T451-W458 HydrophobicContact CG2-CB 4.02Å; T451-W458 HydrophobicContact CG2-CG 4.41Å; T451-Y479 HydrophobicContact CG2-CD1 4.07Å; T451-Y479 HydrophobicContact CG2-CE1 3.8Å; T451-F489 HydrophobicContact CG2-CD1 4.32Å; T451-F489 HydrophobicContact CG2-CE1 3.85Å; T451-F489 HydrophobicContact CG2-CZ 4.28Å
452	D	60.1	Low	77.4	Confident	124 Å²	124	56.1 Å²	56.1	66%	0.663	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.8	-177.3	-54.4	-15.1	0	0	0	112.2	Y479	D452-Y479 VanDerWaalsContact CB-OH 3.28Å; D452-Y479 WeakPolarHBondContact CB-OH 3.35Å; D452-Y479 PolarHBondContact N-OH 2.94Å
453	F	58.8	Low	77.5	Confident	54 Å²	54	51.7 Å²	51.7	24%	0.237	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-18	-177.1	65.4	-103.5	0	0	0	114.2	T451 W458 V474 F475 Y479 F489	T451-F453 HydrophobicContact CG2-CD1 4.34Å; T451-F453 HydrophobicContact CG2-CE1 3.51Å; T451-F453 HydrophobicContact CG2-CZ 3.68Å; T451-F453 PolarHBondContact O-N 3.42Å; T451-F453 VanDerWaalsContact OG1-CE1 3.28Å; T451-F453 WeakPolarHBondContact OG1-CE1 3.09Å; T451-F453 WeakPolarHBondContact OG1-CE2 3.2Å; T451-F453 WeakPolarHBondContact OG1-CZ 3.45Å; F453-W458 HydrophobicContact CE2-CD2 4.2Å; F453-W458 HydrophobicContact CE2-CE3 4.37Å; F453-W458 HydrophobicContact CZ-CD2 4.47Å; F453-W458 HydrophobicContact CZ-CG 4.47Å; F453-V474 HydrophobicContact CB-CG1 4Å; F453-V474 HydrophobicContact CD1-CB 3.91Å; F453-V474 HydrophobicContact CD1-CG1 3.62Å; F453-V474 HydrophobicContact CD1-CG2 4.36Å; F453-V474 HydrophobicContact CE1-CB 4.34Å; F453-V474 HydrophobicContact CE1-CG1 4.36Å; F453-V474 HydrophobicContact CE1-CG2 4.34Å; F453-V474 HydrophobicContact CG-CG1 3.92Å; F453-F475 HydrophobicContact CB-CD2 4Å; F453-F475 HydrophobicContact CB-CE2 4Å; F453-Y479 HydrophobicContact CD1-CE2 4.21Å; F453-Y479 HydrophobicContact CE1-CE2 4.29Å; F453-F489 HydrophobicContact CE1-CD1 4.18Å; F453-F489 AromaticContact CE1-CD2 3.52Å; F453-F489 HydrophobicContact CE1-CD2 3.52Å; F453-F489 HydrophobicContact CE1-CE1 4.19Å; F453-F489 AromaticContact CE1-CE2 3.57Å; F453-F489 HydrophobicContact CE1-CE2 3.57Å; F453-F489 AromaticContact CE1-CG 3.85Å; F453-F489 HydrophobicContact CE1-CG 3.85Å; F453-F489 AromaticContact CE1-CZ 3.89Å; F453-F489 HydrophobicContact CE1-CZ 3.89Å; F453-F489 HydrophobicContact CE2-CB 4.21Å; F453-F489 HydrophobicContact CE2-CG 4.35Å; F453-F489 HydrophobicContact CZ-CB 3.63Å; F453-F489 AromaticContact CZ-CD1 3.73Å; F453-F489 HydrophobicContact CZ-CD1 3.73Å; F453-F489 AromaticContact CZ-CD2 3.47Å; F453-F489 HydrophobicContact CZ-CD2 3.47Å; F453-F489 VanDerWaalsContact CZ-CD2 3.47Å; F453-F489 HydrophobicContact CZ-CE1 4.17Å; F453-F489 AromaticContact CZ-CE2 3.98Å; F453-F489 HydrophobicContact CZ-CE2 3.98Å; F453-F489 AromaticContact CZ-CG 3.34Å; F453-F489 HydrophobicContact CZ-CG 3.34Å; F453-F489 HydrophobicContact CZ-CZ 4.28Å
454	A	47.5	Very low	77.4	Confident	21 Å²	21	55.9 Å²	55.9	17%	0.174	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	141.7	179.6	0	0	0	0	0	112.6	T451 W458	T451-A454 PolarHBondContact OG1-O 2.97Å; A454-W458 HydrophobicContact CB-CH2 4.42Å; A454-W458 HydrophobicContact CB-CZ2 3.5Å; A454-W458 PolarHBondContact O-NE1 2.76Å
455	P	52.1	Low	77.5	Confident	126 Å²	126	60.1 Å²	60.1	82%	0.818	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	159.5	176	29.9	-35.6	0	0	0	112.1	W458	P455-W458 PolarHBondContact O-NE1 3.5Å
456	G	66.3	Low	77.4	Confident	46 Å²	46	63.6 Å²	63.6	47%	0.474	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.6	-176.7	-177.4	0	0	0	0	0	113.7
457	Y	76.5	Confident	77.3	Confident	118 Å²	118	60.5 Å²	60.5	46%	0.463	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.4	170.7	-78	-98.6	0	0	0	109.7	Y448 G449 K450 P492	Y448-Y457 AromaticContact CE1-CD1 3.98Å; Y448-Y457 HydrophobicContact CE1-CD1 3.98Å; Y448-Y457 HydrophobicContact CE1-CE1 4.43Å; Y448-Y457 HydrophobicContact CE2-CD1 4.11Å; Y448-Y457 HydrophobicContact CE2-CG 4.4Å; Y448-Y457 AromaticContact CZ-CD1 3.67Å; G449-Y457 WeakPolarHBondContact O-CA 3.39Å; K450-Y457 HydrophobicContact CG-CE1 4.38Å; K450-Y457 HydrophobicContact CG-CE2 4.35Å; Y457-P492 VanDerWaalsContact O-CD 3.22Å; Y457-P492 WeakPolarHBondContact O-CD 3.25Å
458	W	83.8	Confident	77	Confident	52 Å²	52	58.8 Å²	58.8	20%	0.197	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.4	-176.7	-69.4	82.9	0	0	0	110.8	Y448 G449 T451 F453 A454 P455 F489 A490	Y448-W458 WeakPolarHBondContact CA-O 3.11Å; G449-W458 PolarHBondContact N-O 3.33Å; G449-W458 PolarHBondContact O-N 2.85Å; T451-W458 HydrophobicContact CG2-CB 4.02Å; T451-W458 HydrophobicContact CG2-CG 4.41Å; F453-W458 HydrophobicContact CE2-CD2 4.2Å; F453-W458 HydrophobicContact CE2-CE3 4.37Å; F453-W458 HydrophobicContact CZ-CD2 4.47Å; F453-W458 HydrophobicContact CZ-CG 4.47Å; A454-W458 HydrophobicContact CB-CH2 4.42Å; A454-W458 HydrophobicContact CB-CZ2 3.5Å; A454-W458 PolarHBondContact O-NE1 2.76Å; P455-W458 PolarHBondContact O-NE1 3.5Å; W458-F489 HydrophobicContact CB-CD1 4Å; W458-F489 HydrophobicContact CE3-CB 3.97Å; W458-A490 VanDerWaalsContact CE3-C 3.43Å
459	F	84.4	Confident	76.3	Confident	14 Å²	14	62 Å²	62	6%	0.061	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.6	165.8	-70.8	-76.2	0	0	0	109.2	V429 I445 Y447 Y448 V461 F489 A490 P492 V495	V429-F459 HydrophobicContact CB-CE1 4.27Å; V429-F459 HydrophobicContact CB-CZ 4.17Å; V429-F459 HydrophobicContact CG1-CE1 4.37Å; I445-F459 HydrophobicContact CD1-CD1 3.5Å; I445-F459 HydrophobicContact CD1-CE1 3.8Å; I445-F459 HydrophobicContact CD1-CG 4.2Å; I445-F459 HydrophobicContact CG1-CB 4.49Å; I445-F459 HydrophobicContact CG1-CD1 3.97Å; I445-F459 HydrophobicContact CG2-CD1 3.93Å; Y447-F459 CarbonylContact O-C 3.01Å; Y447-F459 WeakPolarHBondContact O-CA 3.23Å; Y448-F459 AromaticContact CD2-CD1 3.61Å; Y448-F459 HydrophobicContact CD2-CD1 3.61Å; Y448-F459 HydrophobicContact CD2-CD2 4.31Å; Y448-F459 AromaticContact CD2-CE1 3.31Å; Y448-F459 HydrophobicContact CD2-CE1 3.31Å; Y448-F459 HydrophobicContact CD2-CE2 4.05Å; Y448-F459 HydrophobicContact CD2-CG 4.12Å; Y448-F459 AromaticContact CD2-CZ 3.55Å; Y448-F459 HydrophobicContact CD2-CZ 3.55Å; Y448-F459 AromaticContact CE2-CE1 3.97Å; Y448-F459 HydrophobicContact CE2-CE1 3.97Å; Y448-F459 HydrophobicContact CE2-CE2 4.04Å; Y448-F459 AromaticContact CE2-CZ 3.7Å; Y448-F459 HydrophobicContact CE2-CZ 3.7Å; Y448-F459 HydrophobicContact CG-CD1 4.21Å; Y448-F459 AromaticContact CG-CE1 3.86Å; Y448-F459 HydrophobicContact CG-CE1 3.86Å; Y448-F459 HydrophobicContact CG-CZ 4.41Å; F459-V461 HydrophobicContact CB-CG2 4.2Å; F459-F489 WeakPolarHBondContact O-CA 3.41Å; F459-A490 PolarHBondContact N-O 2.85Å; F459-A490 PolarHBondContact O-N 3.24Å; F459-P492 HydrophobicContact CD2-CB 4.49Å; F459-P492 HydrophobicContact CD2-CG 4.26Å; F459-P492 HydrophobicContact CE2-CB 3.93Å; F459-P492 HydrophobicContact CE2-CG 3.87Å; F459-V495 HydrophobicContact CB-CG2 4.09Å; F459-V495 HydrophobicContact CD2-CB 4.09Å; F459-V495 HydrophobicContact CD2-CG1 4.26Å; F459-V495 HydrophobicContact CD2-CG2 3.83Å; F459-V495 HydrophobicContact CG-CG1 4.47Å; F459-V495 HydrophobicContact CG-CG2 4.24Å
460	G	87.1	Confident	76.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.1	164.7	0	0	0	0	0	109	R446 Y447 F480	R446-G460 PolarHBondContact N-O 3.29Å; Y447-G460 PolarHBondContact N-O 3.28Å; Y447-G460 VanDerWaalsContact N-O 3.08Å; Y447-G460 PolarHBondContact O-N 3.03Å; G460-F480 VanDerWaalsContact CA-CE1 3.45Å
461	V	91.8	Very high	77.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.7	-174.2	-175.7	0	0	0	0	109	V435 V437 I444 I445 F459 L463 G487 V488	V435-V461 HydrophobicContact CG2-CG1 3.93Å; V435-V461 HydrophobicContact CG2-CG2 3.96Å; V437-V461 HydrophobicContact CG2-CB 4.14Å; V437-V461 HydrophobicContact CG2-CG1 4.04Å; V437-V461 HydrophobicContact CG2-CG2 3.86Å; I444-V461 WeakPolarHBondContact O-CA 3.17Å; I445-V461 HydrophobicContact CG1-CG2 4.01Å; F459-V461 HydrophobicContact CB-CG2 4.2Å; V461-L463 HydrophobicContact CG1-CD2 4.15Å; V461-G487 WeakPolarHBondContact O-CA 3.45Å; V461-V488 HydrophobicContact CB-CG1 3.95Å; V461-V488 PolarHBondContact N-O 3.49Å; V461-V488 PolarHBondContact O-N 3.02Å
462	E	93.8	Very high	77	Confident	39 Å²	39	57.6 Å²	57.6	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.8	164.7	173.3	171.1	-136.6	0	0	107.8	G443 I444 R446 F480 C482	G443-E462 CarbonylContact C-O 3.57Å; G443-E462 WeakPolarHBondContact CA-O 3.47Å; I444-E462 PolarHBondContact N-O 2.7Å; I444-E462 PolarHBondContact O-N 2.84Å; R446-E462 HydrophobicContact CG-CB 3.69Å; R446-E462 IonicContact CZ-OE2 3.73Å; R446-E462 IonicContact NE-OE2 3.89Å; R446-E462 PolarHBondContact NE-OE2 2.9Å; R446-E462 IonicContact NH2-OE2 2.75Å; R446-E462 PolarHBondContact NH2-OE2 3.02Å; E462-F480 HydrophobicContact CB-CE2 4.36Å; E462-C482 HydrophobicContact CB-CB 3.99Å; E462-C482 VanDerWaalsContact CD-CB 3.5Å; E462-C482 HydrophobicContact CG-CB 3.58Å; E462-C482 WeakPolarHBondContact OE1-CA 3.27Å; E462-C482 WeakPolarHBondContact OE1-CB 3.33Å
463	L	90.3	Very high	77.3	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	160.6	178.5	-61.8	179.1	0	0	0	111.5	K441 Q442 V461 Q465 Y486 V488	K441-L463 HydrophobicContact CB-CD1 4.43Å; K441-L463 HydrophobicContact CB-CD2 3.87Å; K441-L463 HydrophobicContact CD-CD1 4Å; Q442-L463 WeakPolarHBondContact O-CA 3.35Å; Q442-L463 WeakPolarHBondContact O-CD2 3.32Å; V461-L463 HydrophobicContact CG1-CD2 4.15Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Y486 WeakPolarHBondContact CB-O 3.41Å; L463-Y486 WeakPolarHBondContact CG-O 3.38Å; L463-Y486 PolarHBondContact N-O 3.39Å; L463-Y486 WeakPolarHBondContact O-CD1 3.39Å; L463-V488 HydrophobicContact CD1-CB 4.26Å; L463-V488 HydrophobicContact CD1-CG1 4.03Å; L463-V488 HydrophobicContact CD2-CG1 3.76Å; L463-V488 HydrophobicContact CG-CB 4.47Å; L463-V488 HydrophobicContact CG-CG1 3.85Å
464	E	89.6	Confident	77.3	Confident	87 Å²	87	51.8 Å²	51.8	41%	0.407	28%	0.279	S	S	.	.	S	Bend	trans	-81.9	-13.8	175.5	-60.1	-176.1	-172.2	0	0	112.8	R434 Q442	R434-E464 IonicContact CZ-OE1 3.15Å; R434-E464 IonicContact NH1-OE1 2.76Å; R434-E464 PolarHBondContact NH1-OE1 3.15Å; R434-E464 IonicContact NH1-OE2 2.64Å; Q442-E464 PolarHBondContact O-N 3.02Å
465	Q	88.6	Confident	77.3	Confident	131 Å²	131	59.4 Å²	59.4	61%	0.612	31%	0.309	S	S	*	.	S	Bend	trans	-130	154.6	-177.2	-65.6	-176.9	14.3	0	0	111.3	L463 T467	L463-Q465 VanDerWaalsContact C-N 3.32Å; Q465-T467 HydrophobicContact CB-CG2 4.24Å; Q465-T467 PolarHBondContact O-N 2.74Å
466	P	86.4	Confident	77.5	Confident	74 Å²	74	57.1 Å²	57.1	48%	0.481	31%	0.308	S	S	.	.	S	Bend	trans	-73.6	44.3	-177.3	32.1	-37.7	0	0	0	114.1	K485 Y486	P466-K485 CarbonylContact C-O 3.08Å; P466-K485 VanDerWaalsContact CA-O 3.24Å; P466-K485 WeakPolarHBondContact CA-O 3.32Å; P466-K485 HydrophobicContact CB-CB 4.39Å; P466-Y486 HydrophobicContact CB-CD2 4.2Å; P466-Y486 HydrophobicContact CB-CE2 3.58Å; P466-Y486 HydrophobicContact CG-CE2 4.49Å
467	T	83.1	Confident	77.1	Confident	60 Å²	60	57.6 Å²	57.6	37%	0.368	30%	0.302	S	S	.	.			trans	-108.5	8.5	-179.3	72.6	0	0	0	0	113.1	K441 Q465 K485	K441-T467 WeakPolarHBondContact CE-OG1 3.47Å; K441-T467 PolarHBondContact NZ-O 3.48Å; Q465-T467 HydrophobicContact CB-CG2 4.24Å; Q465-T467 PolarHBondContact O-N 2.74Å; T467-K485 PolarHBondContact N-O 3.06Å
468	G	78.3	Confident	77.2	Confident	12 Å²	12	58.1 Å²	58.1	12%	0.124	30%	0.303	C	S	.	.	S	Bend	trans	-78.7	177.2	171.2	0	0	0	0	0	112.3	K485 G487	G468-K485 CarbonylContact C-O 3.22Å; G468-K485 WeakPolarHBondContact CA-O 3.26Å; G468-K485 PolarHBondContact N-O 3.02Å; G468-G487 CarbonylContact C-O 3.47Å; G468-G487 WeakPolarHBondContact CA-O 3.48Å
469	K	68.7	Low	76.7	Confident	186 Å²	186	57.2 Å²	57.2	81%	0.809	30%	0.3	S	S	*	.	S	Bend	trans	-106	-18	-172.9	-63.1	-174	177.4	-170.8	0	113.7	G487	K469-G487 PolarHBondContact N-O 3.46Å
470	H	77.9	Confident	76.7	Confident	26 Å²	26	57.1 Å²	57.1	12%	0.12	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-148.6	-178.4	-172.9	45.2	90.6	0	0	0	112.5	G472 S473 V474 F480 K485 Y486 G487 V488 F489	H470-G472 PolarHBondContact ND1-N 2.95Å; H470-S473 WeakPolarHBondContact CB-O 3.37Å; H470-V474 HydrophobicContact CB-CG2 4.41Å; H470-F480 AromaticContact CE1-CZ 3.86Å; H470-K485 PolarHBondContact O-N 3.42Å; H470-Y486 PolarHBondContact O-N 3.07Å; H470-G487 PolarHBondContact N-O 2.89Å; H470-G487 PolarHBondContact NE2-O 3.07Å; H470-G487 WeakPolarHBondContact O-CA 3.46Å; H470-G487 PolarHBondContact O-N 3.37Å; H470-V488 PolarHBondContact CE1-N 3.03Å; H470-V488 WeakPolarHBondContact NE2-CA 3.24Å; H470-F489 AromaticContact CE1-CD2 3.34Å; H470-F489 WeakPolarHBondContact CE1-CD2 3.42Å; H470-F489 AromaticContact CE1-CE2 3.54Å; H470-F489 AromaticContact NE2-CD2 3.34Å; H470-F489 VanDerWaalsContact NE2-CD2 3.34Å; H470-F489 WeakPolarHBondContact NE2-CD2 3.5Å; H470-F489 AromaticContact NE2-CE2 3.96Å
471	D	82.4	Confident	76.5	Confident	35 Å²	35	61.6 Å²	61.6	19%	0.187	33%	0.327	C	S	.	.	S	Bend	trans	-97.8	8.8	172.6	78.1	-38.8	0	0	0	112.7	S473 R478 C482	D471-S473 WeakPolarHBondContact OD1-CB 3.47Å; D471-S473 PolarHBondContact OD1-N 3.31Å; D471-S473 PolarHBondContact OD1-OG 3.01Å; D471-R478 IonicContact OD2-CZ 3.84Å; D471-R478 IonicContact OD2-NH1 3.83Å; D471-R478 PolarHBondContact OD2-NH1 3.41Å; D471-R478 IonicContact OD2-NH2 2.73Å; D471-R478 PolarHBondContact OD2-NH2 3.5Å; D471-C482 PolarHBondContact O-N 2.93Å; D471-C482 VanDerWaalsContact O-O 3.13Å; D471-C482 PolarHBondContact O-SG 3.46Å
472	G	69.4	Low	76.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	99.9	-4.9	-171.8	0	0	0	0	0	113.9	H470 Y479 F480	H470-G472 PolarHBondContact ND1-N 2.95Å; G472-Y479 PolarHBondContact O-N 3.07Å; G472-F480 CarbonylContact C-O 3.48Å; G472-F480 VanDerWaalsContact CA-O 3.31Å; G472-F480 WeakPolarHBondContact CA-O 3.24Å; G472-F480 PolarHBondContact O-N 2.82Å
473	S	67	Low	75.3	Confident	31 Å²	31	65.4 Å²	65.4	22%	0.217	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.7	162.2	72.8	0	0	0	0	112.4	H470 D471 V477	H470-S473 WeakPolarHBondContact CB-O 3.37Å; D471-S473 WeakPolarHBondContact OD1-CB 3.47Å; D471-S473 PolarHBondContact OD1-N 3.31Å; D471-S473 PolarHBondContact OD1-OG 3.01Å; S473-V477 CarbonylContact C-O 3.54Å; S473-V477 WeakPolarHBondContact CA-O 3.46Å; S473-V477 WeakPolarHBondContact CB-O 3.36Å
474	V	59.1	Low	74.7	Confident	24 Å²	24	69.8 Å²	69.8	15%	0.145	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.2	175.6	176.4	0	0	0	0	107.5	F453 H470 G476 V477 Y479 F489	F453-V474 HydrophobicContact CB-CG1 4Å; F453-V474 HydrophobicContact CD1-CB 3.91Å; F453-V474 HydrophobicContact CD1-CG1 3.62Å; F453-V474 HydrophobicContact CD1-CG2 4.36Å; F453-V474 HydrophobicContact CE1-CB 4.34Å; F453-V474 HydrophobicContact CE1-CG1 4.36Å; F453-V474 HydrophobicContact CE1-CG2 4.34Å; F453-V474 HydrophobicContact CG-CG1 3.92Å; H470-V474 HydrophobicContact CB-CG2 4.41Å; V474-G476 VanDerWaalsContact C-N 3.26Å; V474-G476 PolarHBondContact O-N 3.27Å; V474-V477 PolarHBondContact N-O 3.41Å; V474-V477 PolarHBondContact O-N 3.47Å; V474-V477 VanDerWaalsContact O-N 3.09Å; V474-Y479 HydrophobicContact CB-CE2 4.16Å; V474-F489 HydrophobicContact CG2-CD2 3.91Å; V474-F489 HydrophobicContact CG2-CE2 3.7Å
475	F	46.5	Very low	74.4	Confident	181 Å²	181	72.1 Å²	72.1	79%	0.794	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	40.6	-173.8	-56.2	-62	0	0	0	114.4	F453 V477	F453-F475 HydrophobicContact CB-CD2 4Å; F453-F475 HydrophobicContact CB-CE2 4Å; F475-V477 PolarHBondContact O-N 2.8Å
476	G	57.5	Low	74.3	Confident	78 Å²	78	68.8 Å²	68.8	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-9.4	179.4	0	0	0	0	0	115.2	V474	V474-G476 VanDerWaalsContact C-N 3.26Å; V474-G476 PolarHBondContact O-N 3.27Å
477	V	56.7	Low	74.2	Confident	57 Å²	57	65.2 Å²	65.2	35%	0.345	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126	173.4	-177.3	0	0	0	0	109.1	S473 V474 F475 Y479	S473-V477 CarbonylContact C-O 3.54Å; S473-V477 WeakPolarHBondContact CA-O 3.46Å; S473-V477 WeakPolarHBondContact CB-O 3.36Å; V474-V477 PolarHBondContact N-O 3.41Å; V474-V477 PolarHBondContact O-N 3.47Å; V474-V477 VanDerWaalsContact O-N 3.09Å; F475-V477 PolarHBondContact O-N 2.8Å; V477-Y479 HydrophobicContact CB-CE2 3.87Å; V477-Y479 HydrophobicContact CG1-CD2 4.42Å; V477-Y479 HydrophobicContact CG1-CE1 4.2Å; V477-Y479 HydrophobicContact CG1-CE2 3.79Å; V477-Y479 WeakPolarHBondContact O-CD2 3.21Å; V477-Y479 WeakPolarHBondContact O-CE2 3.13Å
478	R	78.3	Confident	74.3	Confident	128 Å²	128	63.2 Å²	63.2	48%	0.483	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119	-179.5	-175.9	172.4	-70.5	-81.2	-10.3	110.6	D471 F480 T481	D471-R478 IonicContact OD2-CZ 3.84Å; D471-R478 IonicContact OD2-NH1 3.83Å; D471-R478 PolarHBondContact OD2-NH1 3.41Å; D471-R478 IonicContact OD2-NH2 2.73Å; D471-R478 PolarHBondContact OD2-NH2 3.5Å; R478-F480 WeakPolarHBondContact CG-O 3.27Å; R478-T481 PolarHBondContact NH1-OG1 3.22Å; R478-T481 VanDerWaalsContact NH1-OG1 3.11Å
479	Y	73.2	Confident	74.8	Confident	33 Å²	33	63.8 Å²	63.8	13%	0.129	33%	0.333	C	S	.	.	S	Bend	trans	-102.3	-38.1	180	-61.3	-90.8	0	0	0	111.7	Y447 T451 D452 F453 G472 V474 V477 F489	Y447-Y479 HydrophobicContact CD2-CD1 4.49Å; Y447-Y479 WeakPolarHBondContact CD2-O 3.35Å; Y447-Y479 HydrophobicContact CE1-CD1 4.21Å; Y447-Y479 AromaticContact CE2-CD1 3.91Å; Y447-Y479 HydrophobicContact CE2-CD1 3.91Å; Y447-Y479 AromaticContact CZ-CD1 3.76Å; T451-Y479 HydrophobicContact CG2-CD1 4.07Å; T451-Y479 HydrophobicContact CG2-CE1 3.8Å; D452-Y479 VanDerWaalsContact CB-OH 3.28Å; D452-Y479 WeakPolarHBondContact CB-OH 3.35Å; D452-Y479 PolarHBondContact N-OH 2.94Å; F453-Y479 HydrophobicContact CD1-CE2 4.21Å; F453-Y479 HydrophobicContact CE1-CE2 4.29Å; G472-Y479 PolarHBondContact O-N 3.07Å; V474-Y479 HydrophobicContact CB-CE2 4.16Å; V477-Y479 HydrophobicContact CB-CE2 3.87Å; V477-Y479 HydrophobicContact CG1-CD2 4.42Å; V477-Y479 HydrophobicContact CG1-CE1 4.2Å; V477-Y479 HydrophobicContact CG1-CE2 3.79Å; V477-Y479 WeakPolarHBondContact O-CD2 3.21Å; V477-Y479 WeakPolarHBondContact O-CE2 3.13Å; Y479-F489 HydrophobicContact CD1-CZ 4.3Å; Y479-F489 HydrophobicContact CD2-CE2 4.09Å; Y479-F489 AromaticContact CD2-CZ 3.82Å; Y479-F489 HydrophobicContact CD2-CZ 3.82Å; Y479-F489 HydrophobicContact CG-CE2 4.39Å; Y479-F489 AromaticContact CG-CZ 3.66Å; Y479-F489 HydrophobicContact CG-CZ 3.66Å
480	F	86	Confident	75.4	Confident	12 Å²	12	55.1 Å²	55.1	5%	0.053	30%	0.296	C	S	.	.			trans	-147.4	179.5	171.1	61.6	-79.6	0	0	0	109.6	R446 G460 E462 H470 G472 R478 C482 F489	R446-F480 HydrophobicContact CB-CB 3.64Å; R446-F480 HydrophobicContact CB-CD2 3.58Å; R446-F480 HydrophobicContact CB-CE2 4.32Å; R446-F480 HydrophobicContact CB-CG 3.72Å; R446-F480 HydrophobicContact CG-CD2 4.02Å; G460-F480 VanDerWaalsContact CA-CE1 3.45Å; E462-F480 HydrophobicContact CB-CE2 4.36Å; H470-F480 AromaticContact CE1-CZ 3.86Å; G472-F480 CarbonylContact C-O 3.48Å; G472-F480 VanDerWaalsContact CA-O 3.31Å; G472-F480 WeakPolarHBondContact CA-O 3.24Å; G472-F480 PolarHBondContact O-N 2.82Å; R478-F480 WeakPolarHBondContact CG-O 3.27Å; F480-C482 HydrophobicContact CD2-CB 4.42Å; F480-C482 HydrophobicContact CE2-CB 4.31Å; F480-C482 VanDerWaalsContact CE2-SG 3.57Å; F480-F489 HydrophobicContact CD1-CZ 4.13Å; F480-F489 HydrophobicContact CE1-CE1 4.19Å; F480-F489 AromaticContact CE1-CE2 3.93Å; F480-F489 HydrophobicContact CE1-CE2 3.93Å; F480-F489 AromaticContact CE1-CZ 3.72Å; F480-F489 HydrophobicContact CE1-CZ 3.72Å
481	T	82.6	Confident	75.4	Confident	95 Å²	95	55.3 Å²	55.3	58%	0.583	30%	0.299	S	S	*	.			trans	-127.1	130	176.3	-63	0	0	0	0	109.2	R478	R478-T481 PolarHBondContact NH1-OG1 3.22Å; R478-T481 VanDerWaalsContact NH1-OG1 3.11Å
482	C	85.9	Confident	75.2	Confident	14 Å²	14	56.7 Å²	56.7	10%	0.095	31%	0.31	C	S	.	.			trans	-151.3	-179.7	171.3	60.2	0	0	0	0	108.8	E462 D471 F480 G487	E462-C482 HydrophobicContact CB-CB 3.99Å; E462-C482 VanDerWaalsContact CD-CB 3.5Å; E462-C482 HydrophobicContact CG-CB 3.58Å; E462-C482 WeakPolarHBondContact OE1-CA 3.27Å; E462-C482 WeakPolarHBondContact OE1-CB 3.33Å; D471-C482 PolarHBondContact O-N 2.93Å; D471-C482 VanDerWaalsContact O-O 3.13Å; D471-C482 PolarHBondContact O-SG 3.46Å; F480-C482 HydrophobicContact CD2-CB 4.42Å; F480-C482 HydrophobicContact CE2-CB 4.31Å; F480-C482 VanDerWaalsContact CE2-SG 3.57Å; C482-G487 WeakPolarHBondContact SG-CA 3.29Å; C482-G487 PolarHBondContact SG-N 3.18Å
483	L	74.1	Confident	75.5	Confident	104 Å²	104	62 Å²	62	55%	0.545	35%	0.347	S	S	.	.			trans	-68.8	153.1	176.9	-70.2	173.4	0	0	0	112.2	K485 Y486	L483-K485 PolarHBondContact O-N 2.85Å; L483-Y486 HydrophobicContact CB-CD2 3.38Å; L483-Y486 HydrophobicContact CB-CE2 3.75Å; L483-Y486 HydrophobicContact CB-CG 3.89Å; L483-Y486 HydrophobicContact CD1-CE2 4.17Å; L483-Y486 WeakPolarHBondContact O-CB 3.45Å; L483-Y486 PolarHBondContact O-N 2.92Å
484	P	76.6	Confident	75.9	Confident	97 Å²	97	68 Å²	68	63%	0.63	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.1	174.7	-25	34.7	0	0	0	111.9	Y486	P484-Y486 WeakPolarHBondContact O-CD2 3.38Å
485	K	83.1	Confident	76.9	Confident	137 Å²	137	67.2 Å²	67.2	60%	0.596	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	17.2	-171.4	-48	178.9	-179.9	178.5	0	115.4	P466 T467 G468 H470 L483	P466-K485 CarbonylContact C-O 3.08Å; P466-K485 VanDerWaalsContact CA-O 3.24Å; P466-K485 WeakPolarHBondContact CA-O 3.32Å; P466-K485 HydrophobicContact CB-CB 4.39Å; T467-K485 PolarHBondContact N-O 3.06Å; G468-K485 CarbonylContact C-O 3.22Å; G468-K485 WeakPolarHBondContact CA-O 3.26Å; G468-K485 PolarHBondContact N-O 3.02Å; H470-K485 PolarHBondContact O-N 3.42Å; L483-K485 PolarHBondContact O-N 2.85Å
486	Y	86.8	Confident	78.5	Confident	60 Å²	60	64.3 Å²	64.3	24%	0.235	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-22.8	172.7	-72.3	-112.3	0	0	0	112.8	L463 P466 H470 L483 P484	L463-Y486 WeakPolarHBondContact CB-O 3.41Å; L463-Y486 WeakPolarHBondContact CG-O 3.38Å; L463-Y486 PolarHBondContact N-O 3.39Å; L463-Y486 WeakPolarHBondContact O-CD1 3.39Å; P466-Y486 HydrophobicContact CB-CD2 4.2Å; P466-Y486 HydrophobicContact CB-CE2 3.58Å; P466-Y486 HydrophobicContact CG-CE2 4.49Å; H470-Y486 PolarHBondContact O-N 3.07Å; L483-Y486 HydrophobicContact CB-CD2 3.38Å; L483-Y486 HydrophobicContact CB-CE2 3.75Å; L483-Y486 HydrophobicContact CB-CG 3.89Å; L483-Y486 HydrophobicContact CD1-CE2 4.17Å; L483-Y486 WeakPolarHBondContact O-CB 3.45Å; L483-Y486 PolarHBondContact O-N 2.92Å; P484-Y486 WeakPolarHBondContact O-CD2 3.38Å
487	G	84.9	Confident	79.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.3	179.8	0	0	0	0	0	113.2	V461 G468 K469 H470 C482	V461-G487 WeakPolarHBondContact O-CA 3.45Å; G468-G487 CarbonylContact C-O 3.47Å; G468-G487 WeakPolarHBondContact CA-O 3.48Å; K469-G487 PolarHBondContact N-O 3.46Å; H470-G487 PolarHBondContact N-O 2.89Å; H470-G487 PolarHBondContact NE2-O 3.07Å; H470-G487 WeakPolarHBondContact O-CA 3.46Å; H470-G487 PolarHBondContact O-N 3.37Å; C482-G487 WeakPolarHBondContact SG-CA 3.29Å; C482-G487 PolarHBondContact SG-N 3.18Å
488	V	85.8	Confident	80.5	Confident	18 Å²	18	66.7 Å²	66.7	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.3	166.7	70.8	0	0	0	0	110.7	V437 V461 L463 H470	V437-V488 HydrophobicContact CG1-CG1 4.45Å; V437-V488 HydrophobicContact CG2-CG1 4.39Å; V461-V488 HydrophobicContact CB-CG1 3.95Å; V461-V488 PolarHBondContact N-O 3.49Å; V461-V488 PolarHBondContact O-N 3.02Å; L463-V488 HydrophobicContact CD1-CB 4.26Å; L463-V488 HydrophobicContact CD1-CG1 4.03Å; L463-V488 HydrophobicContact CD2-CG1 3.76Å; L463-V488 HydrophobicContact CG-CB 4.47Å; L463-V488 HydrophobicContact CG-CG1 3.85Å; H470-V488 PolarHBondContact CE1-N 3.03Å; H470-V488 WeakPolarHBondContact NE2-CA 3.24Å
489	F	87.4	Confident	79.6	Confident	24 Å²	24	63.5 Å²	63.5	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.2	167.6	-81.1	-78.1	0	0	0	111.4	Y447 T451 F453 W458 F459 H470 V474 Y479 F480	Y447-F489 AromaticContact CD1-CE1 3.75Å; Y447-F489 HydrophobicContact CD1-CE1 3.75Å; Y447-F489 HydrophobicContact CD1-CZ 4.45Å; Y447-F489 HydrophobicContact CE1-CE1 4.25Å; Y447-F489 HydrophobicContact CG-CE1 4.44Å; T451-F489 HydrophobicContact CG2-CD1 4.32Å; T451-F489 HydrophobicContact CG2-CE1 3.85Å; T451-F489 HydrophobicContact CG2-CZ 4.28Å; F453-F489 HydrophobicContact CE1-CD1 4.18Å; F453-F489 AromaticContact CE1-CD2 3.52Å; F453-F489 HydrophobicContact CE1-CD2 3.52Å; F453-F489 HydrophobicContact CE1-CE1 4.19Å; F453-F489 AromaticContact CE1-CE2 3.57Å; F453-F489 HydrophobicContact CE1-CE2 3.57Å; F453-F489 AromaticContact CE1-CG 3.85Å; F453-F489 HydrophobicContact CE1-CG 3.85Å; F453-F489 AromaticContact CE1-CZ 3.89Å; F453-F489 HydrophobicContact CE1-CZ 3.89Å; F453-F489 HydrophobicContact CE2-CB 4.21Å; F453-F489 HydrophobicContact CE2-CG 4.35Å; F453-F489 HydrophobicContact CZ-CB 3.63Å; F453-F489 AromaticContact CZ-CD1 3.73Å; F453-F489 HydrophobicContact CZ-CD1 3.73Å; F453-F489 AromaticContact CZ-CD2 3.47Å; F453-F489 HydrophobicContact CZ-CD2 3.47Å; F453-F489 VanDerWaalsContact CZ-CD2 3.47Å; F453-F489 HydrophobicContact CZ-CE1 4.17Å; F453-F489 AromaticContact CZ-CE2 3.98Å; F453-F489 HydrophobicContact CZ-CE2 3.98Å; F453-F489 AromaticContact CZ-CG 3.34Å; F453-F489 HydrophobicContact CZ-CG 3.34Å; F453-F489 HydrophobicContact CZ-CZ 4.28Å; W458-F489 HydrophobicContact CB-CD1 4Å; W458-F489 HydrophobicContact CE3-CB 3.97Å; F459-F489 WeakPolarHBondContact O-CA 3.41Å; H470-F489 AromaticContact CE1-CD2 3.34Å; H470-F489 WeakPolarHBondContact CE1-CD2 3.42Å; H470-F489 AromaticContact CE1-CE2 3.54Å; H470-F489 AromaticContact NE2-CD2 3.34Å; H470-F489 VanDerWaalsContact NE2-CD2 3.34Å; H470-F489 WeakPolarHBondContact NE2-CD2 3.5Å; H470-F489 AromaticContact NE2-CE2 3.96Å; V474-F489 HydrophobicContact CG2-CD2 3.91Å; V474-F489 HydrophobicContact CG2-CE2 3.7Å; Y479-F489 HydrophobicContact CD1-CZ 4.3Å; Y479-F489 HydrophobicContact CD2-CE2 4.09Å; Y479-F489 AromaticContact CD2-CZ 3.82Å; Y479-F489 HydrophobicContact CD2-CZ 3.82Å; Y479-F489 HydrophobicContact CG-CE2 4.39Å; Y479-F489 AromaticContact CG-CZ 3.66Å; Y479-F489 HydrophobicContact CG-CZ 3.66Å; F480-F489 HydrophobicContact CD1-CZ 4.13Å; F480-F489 HydrophobicContact CE1-CE1 4.19Å; F480-F489 AromaticContact CE1-CE2 3.93Å; F480-F489 HydrophobicContact CE1-CE2 3.93Å; F480-F489 AromaticContact CE1-CZ 3.72Å; F480-F489 HydrophobicContact CE1-CZ 3.72Å
490	A	81.5	Confident	78.1	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.033	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.3	177.8	0	0	0	0	0	111.9	V437 W458 F459 V495	V437-A490 HydrophobicContact CG1-CB 3.66Å; W458-A490 VanDerWaalsContact CE3-C 3.43Å; F459-A490 PolarHBondContact N-O 2.85Å; F459-A490 PolarHBondContact O-N 3.24Å; A490-V495 HydrophobicContact CB-CG2 3.69Å
491	P	78.1	Confident	75.9	Confident	30 Å²	30	70.4 Å²	70.4	20%	0.195	40%	0.404	C	S	.	.			trans	-72.7	156.3	171.5	33.2	-35.7	0	0	0	110.2	S493 R494	P491-S493 PolarHBondContact O-N 3.16Å; P491-S493 VanDerWaalsContact O-N 3.13Å; P491-R494 HydrophobicContact CG-CB 4.2Å; P491-R494 HydrophobicContact CG-CG 3.99Å; P491-R494 PolarHBondContact O-N 3.32Å
492	P	78.8	Confident	73.7	Confident	63 Å²	63	75.4 Å²	75.4	41%	0.409	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-49.5	-40.5	-179.9	-30.4	34.5	0	0	0	114.5	Y457 F459 R494 V495	Y457-P492 VanDerWaalsContact O-CD 3.22Å; Y457-P492 WeakPolarHBondContact O-CD 3.25Å; F459-P492 HydrophobicContact CD2-CB 4.49Å; F459-P492 HydrophobicContact CD2-CG 4.26Å; F459-P492 HydrophobicContact CE2-CB 3.93Å; F459-P492 HydrophobicContact CE2-CG 3.87Å; P492-R494 PolarHBondContact O-N 3.44Å; P492-V495 PolarHBondContact O-N 3.12Å; P492-V495 VanDerWaalsContact O-N 3.08Å
493	S	74.7	Confident	71.3	Confident	111 Å²	111	82.8 Å²	82.8	78%	0.776	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-62.2	-7.7	177.7	57.9	0	0	0	0	115.5	P491	P491-S493 PolarHBondContact O-N 3.16Å; P491-S493 VanDerWaalsContact O-N 3.13Å
494	R	76.3	Confident	69.2	Low	158 Å²	158	81.2 Å²	81.2	60%	0.596	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-118.6	12.1	178	-64.8	-173.9	178.4	-172.9	-0.9	113.4	V437 A438 P491 P492	V437-R494 WeakPolarHBondContact CA-O 3.48Å; A438-R494 PolarHBondContact N-O 2.78Å; P491-R494 HydrophobicContact CG-CB 4.2Å; P491-R494 HydrophobicContact CG-CG 3.99Å; P491-R494 PolarHBondContact O-N 3.32Å; P492-R494 PolarHBondContact O-N 3.44Å
495	V	79.9	Confident	67	Low	8 Å²	8	85.4 Å²	85.4	5%	0.048	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.6	-178.3	179.8	0	0	0	0	109.2	V435 I445 F459 A490 P492	V435-V495 HydrophobicContact CB-CG1 3.67Å; V435-V495 HydrophobicContact CG1-CG1 3.72Å; V435-V495 HydrophobicContact CG2-CG1 3.87Å; I445-V495 HydrophobicContact CD1-CG1 4.26Å; F459-V495 HydrophobicContact CB-CG2 4.09Å; F459-V495 HydrophobicContact CD2-CB 4.09Å; F459-V495 HydrophobicContact CD2-CG1 4.26Å; F459-V495 HydrophobicContact CD2-CG2 3.83Å; F459-V495 HydrophobicContact CG-CG1 4.47Å; F459-V495 HydrophobicContact CG-CG2 4.24Å; A490-V495 HydrophobicContact CB-CG2 3.69Å; P492-V495 PolarHBondContact O-N 3.12Å; P492-V495 VanDerWaalsContact O-N 3.08Å
496	Q	80.8	Confident	64.4	Low	120 Å²	120	84.8 Å²	84.8	56%	0.561	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.6	179	-62.8	175.2	2.7	0	0	109.5	V435 L436	V435-Q496 CarbonylContact C-O 3.48Å; V435-Q496 WeakPolarHBondContact CA-O 3.3Å; V435-Q496 WeakPolarHBondContact CB-O 3.33Å; L436-Q496 HydrophobicContact CB-CB 4.43Å; L436-Q496 PolarHBondContact N-O 3.43Å; L436-Q496 PolarHBondContact O-N 3.15Å
497	R	80.4	Confident	61.5	Low	119 Å²	119	85.6 Å²	85.6	45%	0.449	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132	179.7	-167.1	177	-172.5	172.1	2.1	111	K428 D433	K428-R497 PolarHBondContact O-NH1 3.2Å; D433-R497 IonicContact OD1-CZ 2.78Å; D433-R497 IonicContact OD1-NE 2.77Å; D433-R497 PolarHBondContact OD1-NE 2.88Å; D433-R497 IonicContact OD1-NH2 3.09Å; D433-R497 PolarHBondContact OD1-NH2 3.5Å; D433-R497 IonicContact OD2-CZ 3.29Å; D433-R497 VanDerWaalsContact OD2-CZ 3.25Å; D433-R497 IonicContact OD2-NE 3.92Å; D433-R497 PolarHBondContact OD2-NE 3.03Å; D433-R497 IonicContact OD2-NH1 2.67Å; D433-R497 IonicContact OD2-NH2 2.97Å; D433-R497 PolarHBondContact OD2-NH2 3Å
498	I	75.4	Confident	58.7	Low	65 Å²	65	93.4 Å²	93.4	33%	0.333	56%	0.558	S	S	.	*	S	Bend	trans	-96.2	112.1	174.2	-57.1	174.7	0	0	0	108.2	R434 L436 Q442	R434-I498 HydrophobicContact CB-CB 4.45Å; R434-I498 PolarHBondContact O-N 3.43Å; L436-I498 HydrophobicContact CB-CD1 3.87Å; L436-I498 HydrophobicContact CB-CG1 3.86Å; L436-I498 HydrophobicContact CD1-CD1 4.32Å; Q442-I498 HydrophobicContact CB-CD1 4.2Å; Q442-I498 HydrophobicContact CG-CD1 3.73Å
499	G	59.6	Low	55.8	Low	61 Å²	61	95.5 Å²	95.5	63%	0.629	58%	0.583	S	S	*	*			trans	92.7	122	177.8	0	0	0	0	0	113
500	G	42	Very low	52.9	Low	69 Å²	69	100 Å²	100	71%	0.711	61%	0.612	S	S	*	*			trans	-145.4	140.8	168.4	0	0	0	0	0	110.6
501	S	39.6	Very low	50.2	Low	122 Å²	122	107.6 Å²	107.6	85%	0.853	65%	0.649	S	S	*	*			trans	130.6	140.4	139.3	-66.4	0	0	0	0	116.6
502	K	35.2	Very low	47.8	Very low	200 Å²	200	113 Å²	113	87%	0.87	68%	0.681	S	S	*	*			trans	95.6	132.8	162	-59.5	-170.2	176.5	-178.1	0	118.7
503	D	35.4	Very low	45.3	Very low	169 Å²	169	119.3 Å²	119.3	90%	0.904	70%	0.702	S	S	*	*			trans	-70.3	160.2	174.4	-47.8	-91.9	0	0	0	113
504	G	30.5	Very low	42.9	Very low	71 Å²	71	122.8 Å²	122.8	73%	0.732	70%	0.703	S	S	*	*			trans	139.1	86.1	152.2	0	0	0	0	0	118.5
505	Q	30	Very low	40.4	Very low	185 Å²	185	120.6 Å²	120.6	86%	0.864	71%	0.707	S	S	*	*			trans	62	131.6	145.7	-60.5	-174.8	26.1	0	0	122.9
506	S	28.7	Very low	37.7	Very low	124 Å²	124	128 Å²	128	87%	0.867	74%	0.741	S	S	*	*			trans	72.1	135.8	141.8	71.3	0	0	0	0	120.2
507	G	25.7	Very low	35.1	Very low	77 Å²	77	131 Å²	131	79%	0.794	76%	0.755	S	S	*	*			trans	141.3	84.2	167.3	0	0	0	0	0	114.8
508	D	26.4	Very low	32.4	Very low	164 Å²	164	131.1 Å²	131.1	88%	0.877	77%	0.769	S	S	*	*			trans	-18	161.7	159	-168.7	22.9	0	0	0	119.8
509	G	25.8	Very low	30.1	Very low	61 Å²	61	133.3 Å²	133.3	63%	0.629	79%	0.79	S	S	*	*			trans	144.5	51.7	161.6	0	0	0	0	0	120.6
510	T	25.8	Very low	28.4	Very low	118 Å²	118	139 Å²	139	72%	0.724	80%	0.803	S	S	*	*			trans	46.1	142.5	139.2	-23.4	0	0	0	0	123.7
511	M	26	Very low	27.5	Very low	164 Å²	164	142.1 Å²	142.1	81%	0.808	80%	0.803	S	S	*	*			trans	103.8	75.1	151.4	-55.3	-153.4	178.5	0	0	119.8
512	V	26.4	Very low	27	Very low	143 Å²	143	143.9 Å²	143.9	87%	0.867	80%	0.797	S	S	*	*			trans	-81.7	124.6	152.5	177.3	0	0	0	0	110
513	K	27.4	Very low	26.5	Very low	196 Å²	196	140 Å²	140	85%	0.852	79%	0.792	S	S	*	*			trans	-108.7	101.8	161.4	-82.6	-174.5	176.8	176.3	0	111.3
514	K	24.2	Very low	26.2	Very low	184 Å²	184	141.4 Å²	141.4	80%	0.8	79%	0.791	S	S	*	*			trans	-54.1	154.4	140.6	-109.1	170.5	173.1	172.9	0	107.2
515	V	23.9	Very low	26.1	Very low	112 Å²	112	149.3 Å²	149.3	68%	0.679	80%	0.798	S	S	*	*			cis	-146.2	-168.3	26.2	-121.1	0	0	0	0	107.7
516	H	23.6	Very low	26	Very low	163 Å²	163	150.2 Å²	150.2	76%	0.755	80%	0.8	S	S	*	*			cis	-150	164	16.4	-127.7	124.4	0	0	0	111.5
517	Q	26.2	Very low	25.8	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	80%	0.798	S	S	*	*			trans	-97.5	130.6	163.1	-178.7	-178.7	9.9	0	0	108.1
518	V	22.4	Very low	26.1	Very low	123 Å²	123	158.2 Å²	158.2	75%	0.745	81%	0.805	S	S	*	*			trans	-126.1	123.4	174.5	-179.9	0	0	0	0	109.8
519	S	28.1	Very low	26	Very low	111 Å²	111	154.8 Å²	154.8	78%	0.776	80%	0.8	S	S	*	*			trans	-93.8	140.6	167.6	-176.4	0	0	0	0	109.1
520	M	23.1	Very low	26.2	Very low	181 Å²	181	158.5 Å²	158.5	89%	0.892	81%	0.81	S	S	*	*			trans	-137.4	143.4	170.8	-94.2	-70	-159.1	0	0	108.7
521	N	22.9	Very low	26.2	Very low	133 Å²	133	163.4 Å²	163.4	71%	0.711	82%	0.816	S	S	*	*			trans	-134.1	140.4	-163.9	-150.5	-3.8	0	0	0	110.8
522	Q	29.3	Very low	26.1	Very low	159 Å²	159	158.5 Å²	158.5	74%	0.743	80%	0.797	S	S	*	*			trans	73.5	156.2	165.8	-62.6	-160.9	29.4	0	0	117.3
523	P	25.3	Very low	26.4	Very low	118 Å²	118	156.6 Å²	156.6	77%	0.766	79%	0.788	S	S	*	*			cis	-121.4	159.9	19.1	40.4	-26.9	0	0	0	117.9
524	K	29.3	Very low	26.4	Very low	199 Å²	199	155.3 Å²	155.3	87%	0.865	78%	0.782	S	S	*	*			trans	-75.8	125.1	173.7	-65.6	175.7	178.7	175.7	0	110.9
525	R	27.5	Very low	26.5	Very low	238 Å²	238	151.4 Å²	151.4	90%	0.898	77%	0.77	S	S	*	*			trans	-119	131.9	154.2	-81.8	-175.7	169.5	175.6	-3.4	108.8
526	K	28.8	Very low	27.1	Very low	204 Å²	204	151.9 Å²	151.9	89%	0.887	77%	0.768	S	S	*	*			trans	-80.5	120.4	177.6	-68.8	-178.7	178.2	-179.4	0	109.4
527	F	23.8	Very low	27.4	Very low	191 Å²	191	148.8 Å²	148.8	84%	0.838	76%	0.76	S	S	*	*			trans	-132.9	139	153.1	-96.8	-91.1	0	0	0	106.9	A529	F527-A529 PolarHBondContact O-N 2.87Å
528	N	31.1	Very low	27.6	Very low	177 Å²	177	144.8 Å²	144.8	95%	0.947	75%	0.753	S	S	*	*			trans	-72.8	99.8	175.3	-74	-12.4	0	0	0	108.2
529	A	25.3	Very low	28.2	Very low	92 Å²	92	145.3 Å²	145.3	76%	0.76	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-97.3	140.7	-180	0	0	0	0	0	111.3	F527	F527-A529 PolarHBondContact O-N 2.87Å
530	V	29.3	Very low	28.6	Very low	140 Å²	140	141.9 Å²	141.9	85%	0.848	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-53.8	147.3	171.5	175.2	0	0	0	0	110.7
531	R	26.3	Very low	29.4	Very low	221 Å²	221	135.1 Å²	135.1	83%	0.834	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-52.3	140.4	-179.8	-66.1	-176.5	-178.9	-179	-0.2	111.4
532	S	24	Very low	30.2	Very low	61 Å²	61	131.5 Å²	131.5	43%	0.427	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-84.3	154.4	179.8	86.7	0	0	0	0	111.3	K534 D535	S532-K534 PolarHBondContact O-N 2.62Å; S532-D535 PolarHBondContact O-N 2.87Å; S532-D535 VanDerWaalsContact O-N 3.12Å
533	P	33	Very low	30.6	Very low	103 Å²	103	124.8 Å²	124.8	67%	0.669	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-60.1	-6.3	179.4	-26.6	36	0	0	0	116.4	D535 I536	P533-D535 PolarHBondContact O-N 2.72Å; P533-I536 PolarHBondContact O-N 3.18Å
534	K	27.1	Very low	31.2	Very low	168 Å²	168	126.8 Å²	126.8	73%	0.73	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-69.9	-19.5	173.4	-69	-172.9	175.1	-176.7	0	113.4	S532 I536 T537	S532-K534 PolarHBondContact O-N 2.62Å; K534-I536 VanDerWaalsContact C-N 3.26Å; K534-I536 PolarHBondContact O-N 3.44Å; K534-T537 PolarHBondContact O-OG1 3.09Å
535	D	27	Very low	31.7	Very low	102 Å²	102	120.9 Å²	120.9	55%	0.545	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-85	2.2	177.5	-54.8	-34.2	0	0	0	112.9	S532 P533	S532-D535 PolarHBondContact O-N 2.87Å; S532-D535 VanDerWaalsContact O-N 3.12Å; P533-D535 PolarHBondContact O-N 2.72Å
536	I	34.8	Very low	32.4	Very low	123 Å²	123	110 Å²	110	63%	0.631	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-98.3	-15.3	175.9	-60.8	172.6	0	0	0	111	P533 K534 S538	P533-I536 PolarHBondContact O-N 3.18Å; K534-I536 VanDerWaalsContact C-N 3.26Å; K534-I536 PolarHBondContact O-N 3.44Å; I536-S538 PolarHBondContact O-N 2.81Å
537	T	31	Very low	32.9	Very low	97 Å²	97	104.9 Å²	104.9	60%	0.595	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	6.7	-174.8	56.2	0	0	0	0	115.8	K534	K534-T537 PolarHBondContact O-OG1 3.09Å
538	S	30.7	Very low	33.3	Very low	100 Å²	100	99.4 Å²	99.4	70%	0.699	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-7	175.8	55.9	0	0	0	0	115	I536 S540	I536-S538 PolarHBondContact O-N 2.81Å; S538-S540 PolarHBondContact O-N 3.09Å
539	E	34.4	Very low	33.8	Very low	134 Å²	134	93.7 Å²	93.7	63%	0.626	51%	0.51	S	S	*	.	S	Bend	trans	-87.3	97.6	-176.4	-68.4	-164.3	155.9	0	0	113
540	S	36.9	Very low	35	Very low	38 Å²	38	89.8 Å²	89.8	27%	0.266	48%	0.475	S	S	.	.			trans	56.3	133.6	165.9	93.7	0	0	0	0	118.7	S538 I542 S543	S538-S540 PolarHBondContact O-N 3.09Å; S540-I542 PolarHBondContact O-N 3.14Å; S540-S543 PolarHBondContact OG-OG 3.32Å
541	S	39.5	Very low	35.6	Very low	40 Å²	40	87.2 Å²	87.2	28%	0.28	45%	0.453	S	S	.	.	H	α-helix	trans	-65.9	-14	170	-71.8	0	0	0	0	113.6	L545	S541-L545 PolarHBondContact O-N 2.97Å
542	I	40	Very low	36.4	Very low	56 Å²	56	80 Å²	80	29%	0.287	43%	0.434	S	S	.	.	H	α-helix	trans	-76.3	-45.2	-172.3	-61.7	173.2	0	0	0	110.9	S540 R544 L545 L546	S540-I542 PolarHBondContact O-N 3.14Å; I542-R544 PolarHBondContact O-N 2.94Å; I542-L545 WeakPolarHBondContact O-CB 3.22Å; I542-L545 PolarHBondContact O-N 3.41Å; I542-L546 HydrophobicContact CG2-CD1 3.87Å; I542-L546 HydrophobicContact CG2-CG 4.25Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.42Å
543	S	36.9	Very low	37.7	Very low	19 Å²	19	79.5 Å²	79.5	13%	0.133	42%	0.423	C	S	.	.	H	α-helix	trans	-61.3	-32	179.7	-49.7	0	0	0	0	112.5	H120 S540 F547	H120-S543 PolarHBondContact O-OG 2.99Å; H120-S543 VanDerWaalsContact O-OG 3.07Å; S540-S543 PolarHBondContact OG-OG 3.32Å; S543-F547 PolarHBondContact O-N 3.3Å; S543-F547 VanDerWaalsContact O-N 3.15Å
544	R	39.2	Very low	38.4	Very low	160 Å²	160	76.5 Å²	76.5	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-71.2	-39.4	171.9	-63	-168	-167.8	-161.8	7.8	112.8	I542 F547 C548	I542-R544 PolarHBondContact O-N 2.94Å; R544-F547 PolarHBondContact O-N 2.89Å; R544-C548 WeakPolarHBondContact O-CB 3.4Å; R544-C548 PolarHBondContact O-N 2.92Å; R544-C548 PolarHBondContact O-SG 3.36Å
545	L	38.3	Very low	39	Very low	74 Å²	74	71.8 Å²	71.8	39%	0.387	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-44.4	175.2	-80.8	160.8	0	0	0	111.3	S541 I542 F547 C548 C549	S541-L545 PolarHBondContact O-N 2.97Å; I542-L545 WeakPolarHBondContact O-CB 3.22Å; I542-L545 PolarHBondContact O-N 3.41Å; L545-F547 VanDerWaalsContact C-N 3.35Å; L545-F547 PolarHBondContact O-N 3.24Å; L545-C548 PolarHBondContact O-N 3.03Å; L545-C549 WeakPolarHBondContact O-CB 3.46Å; L545-C549 PolarHBondContact O-N 3.43Å; L545-C549 PolarHBondContact O-SG 2.67Å
546	L	42.4	Very low	39.7	Very low	9 Å²	9	73.9 Å²	73.9	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-62.7	-39.4	177.4	-66.5	170.9	0	0	0	112.2	A119 Y159 F160 I542 W550	A119-L546 HydrophobicContact CB-CD1 4.46Å; Y159-L546 HydrophobicContact CD1-CD2 4.07Å; Y159-L546 HydrophobicContact CE1-CD2 3.9Å; Y159-L546 VanDerWaalsContact O-CD2 3.28Å; Y159-L546 WeakPolarHBondContact O-CD2 3.19Å; F160-L546 HydrophobicContact CD1-CB 4.41Å; F160-L546 HydrophobicContact CD1-CD1 4.19Å; F160-L546 HydrophobicContact CD1-CD2 3.96Å; F160-L546 HydrophobicContact CD1-CG 4.41Å; F160-L546 HydrophobicContact CE1-CB 4.35Å; F160-L546 HydrophobicContact CE1-CD2 4.36Å; I542-L546 HydrophobicContact CG2-CD1 3.87Å; I542-L546 HydrophobicContact CG2-CG 4.25Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.42Å; L546-W550 WeakPolarHBondContact O-CB 3.42Å; L546-W550 PolarHBondContact O-N 2.68Å
547	F	39.4	Very low	40	Very low	97 Å²	97	68.4 Å²	68.4	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-49.8	171	-169.9	-78.8	0	0	0	111.7	W77 S543 R544 L545 C549 W550 F551	W77-F547 AromaticContact CD1-CD2 3.49Å; W77-F547 VanDerWaalsContact CD1-CD2 3.49Å; S543-F547 PolarHBondContact O-N 3.3Å; S543-F547 VanDerWaalsContact O-N 3.15Å; R544-F547 PolarHBondContact O-N 2.89Å; L545-F547 VanDerWaalsContact C-N 3.35Å; L545-F547 PolarHBondContact O-N 3.24Å; F547-C549 VanDerWaalsContact C-N 3.25Å; F547-C549 PolarHBondContact O-N 3.07Å; F547-W550 PolarHBondContact O-N 2.72Å; F547-F551 HydrophobicContact CE1-CB 4.44Å; F547-F551 HydrophobicContact CE1-CD2 4.42Å; F547-F551 HydrophobicContact CE1-CG 4.47Å; F547-F551 WeakPolarHBondContact O-CB 3.42Å; F547-F551 PolarHBondContact O-N 2.83Å
548	C	33.1	Very low	40.5	Very low	76 Å²	76	68.3 Å²	68.3	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-66.7	-19.6	-179	-74	0	0	0	0	114.6	R544 L545 P552	R544-C548 WeakPolarHBondContact O-CB 3.4Å; R544-C548 PolarHBondContact O-N 2.92Å; R544-C548 PolarHBondContact O-SG 3.36Å; L545-C548 PolarHBondContact O-N 3.03Å; C548-P552 WeakPolarHBondContact O-CD 3.44Å; C548-P552 WeakPolarHBondContact O-CG 3.45Å
549	C	40.3	Very low	40.6	Very low	58 Å²	58	71.2 Å²	71.2	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-97.7	-27.5	175.8	-61.9	0	0	0	0	112.7	Y159 L545 F547	Y159-C549 WeakPolarHBondContact OH-CB 3.37Å; L545-C549 WeakPolarHBondContact O-CB 3.46Å; L545-C549 PolarHBondContact O-N 3.43Å; L545-C549 PolarHBondContact O-SG 2.67Å; F547-C549 VanDerWaalsContact C-N 3.25Å; F547-C549 PolarHBondContact O-N 3.07Å
550	W	50.6	Low	40.7	Very low	9 Å²	9	70.6 Å²	70.6	3%	0.034	35%	0.351	C	S	.	.	H	α-helix	trans	-72.6	-40.5	170.2	175.9	-99.1	0	0	0	112.9	M108 K116 Y156 F160 L546 F547 W553 M554	M108-W550 HydrophobicContact CE-CH2 4.12Å; M108-W550 HydrophobicContact CE-CZ3 4.33Å; M108-W550 HydrophobicContact SD-CH2 3.65Å; M108-W550 HydrophobicContact SD-CZ3 4.03Å; K116-W550 HydrophobicContact CD-CD2 4.23Å; K116-W550 HydrophobicContact CD-CE3 4.06Å; K116-W550 HydrophobicContact CD-CH2 3.73Å; K116-W550 HydrophobicContact CD-CZ2 3.9Å; K116-W550 HydrophobicContact CD-CZ3 3.8Å; K116-W550 VanDerWaalsContact CE-CE2 3.47Å; Y156-W550 HydrophobicContact CE1-CZ3 4.26Å; F160-W550 HydrophobicContact CZ-CE3 4.1Å; L546-W550 WeakPolarHBondContact O-CB 3.42Å; L546-W550 PolarHBondContact O-N 2.68Å; F547-W550 PolarHBondContact O-N 2.72Å; W550-W553 HydrophobicContact CE3-CE3 4.21Å; W550-W553 HydrophobicContact CZ3-CE3 4.37Å; W550-W553 WeakPolarHBondContact O-CB 3.49Å; W550-W553 PolarHBondContact O-N 2.75Å; W550-M554 PolarHBondContact O-N 2.83Å
551	F	42.1	Very low	40.7	Very low	87 Å²	87	75 Å²	75	38%	0.382	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-39.9	-175.6	-166	-107.5	0	0	0	113.8	F547 W553 M554 L555	F547-F551 HydrophobicContact CE1-CB 4.44Å; F547-F551 HydrophobicContact CE1-CD2 4.42Å; F547-F551 HydrophobicContact CE1-CG 4.47Å; F547-F551 WeakPolarHBondContact O-CB 3.42Å; F547-F551 PolarHBondContact O-N 2.83Å; F551-W553 PolarHBondContact O-N 2.97Å; F551-M554 HydrophobicContact CD2-CE 3.78Å; F551-M554 HydrophobicContact CE2-CE 3.79Å; F551-M554 PolarHBondContact O-N 3.05Å; F551-L555 HydrophobicContact CD1-CD1 3.63Å; F551-L555 HydrophobicContact CD1-CG 4.42Å; F551-L555 HydrophobicContact CE1-CD1 3.49Å; F551-L555 VanDerWaalsContact CE1-CD1 3.49Å; F551-L555 HydrophobicContact CE1-CG 4.24Å; F551-L555 HydrophobicContact CG-CD1 4.46Å; F551-L555 HydrophobicContact CZ-CD1 4.21Å; F551-L555 WeakPolarHBondContact O-CB 3.48Å; F551-L555 WeakPolarHBondContact O-CG 3.34Å; F551-L555 PolarHBondContact O-N 2.82Å
552	P	43.9	Very low	40.7	Very low	68 Å²	68	76.8 Å²	76.8	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-65.7	-29.4	170.8	-23.8	35.5	0	0	0	114.8	C548 R556	C548-P552 WeakPolarHBondContact O-CD 3.44Å; C548-P552 WeakPolarHBondContact O-CG 3.45Å; P552-R556 VanDerWaalsContact O-CB 3.22Å; P552-R556 WeakPolarHBondContact O-CB 3.45Å; P552-R556 PolarHBondContact O-N 2.82Å
553	W	50.3	Low	40.8	Very low	51 Å²	51	77.9 Å²	77.9	19%	0.193	39%	0.392	C	S	.	.	H	α-helix	trans	-71.1	-44.8	173.2	-83.2	0.8	0	0	0	111.6	T149 M151 Y156 Y159 W550 F551 R556 A557	T149-W553 HydrophobicContact CG2-CD2 3.86Å; T149-W553 HydrophobicContact CG2-CE3 3.78Å; T149-W553 HydrophobicContact CG2-CH2 3.87Å; T149-W553 HydrophobicContact CG2-CZ2 3.89Å; T149-W553 HydrophobicContact CG2-CZ3 3.8Å; M151-W553 HydrophobicContact CE-CH2 3.91Å; M151-W553 HydrophobicContact CE-CZ3 4.45Å; M151-W553 HydrophobicContact SD-CH2 3.51Å; M151-W553 VanDerWaalsContact SD-CH2 3.51Å; M151-W553 HydrophobicContact SD-CZ2 4.2Å; M151-W553 HydrophobicContact SD-CZ3 4.43Å; Y156-W553 AromaticContact CE1-CZ3 3.87Å; Y156-W553 HydrophobicContact CE1-CZ3 3.87Å; Y159-W553 HydrophobicContact CD2-CH2 4.4Å; Y159-W553 HydrophobicContact CE2-CH2 4.06Å; Y159-W553 HydrophobicContact CE2-CZ3 4.5Å; W550-W553 HydrophobicContact CE3-CE3 4.21Å; W550-W553 HydrophobicContact CZ3-CE3 4.37Å; W550-W553 WeakPolarHBondContact O-CB 3.49Å; W550-W553 PolarHBondContact O-N 2.75Å; F551-W553 PolarHBondContact O-N 2.97Å; W553-R556 PolarHBondContact O-N 3.05Å; W553-A557 PolarHBondContact O-N 2.95Å
554	M	49.4	Very low	41	Very low	41 Å²	41	81.2 Å²	81.2	20%	0.202	41%	0.407	C	S	.	.	H	α-helix	trans	-61	-47	175.3	-166.7	178.2	78.2	0	0	111.1	W550 F551 R556 A557 E558	W550-M554 PolarHBondContact O-N 2.83Å; F551-M554 HydrophobicContact CD2-CE 3.78Å; F551-M554 HydrophobicContact CE2-CE 3.79Å; F551-M554 PolarHBondContact O-N 3.05Å; M554-R556 VanDerWaalsContact C-N 3.35Å; M554-R556 PolarHBondContact O-N 3.17Å; M554-A557 PolarHBondContact O-N 3Å; M554-E558 WeakPolarHBondContact O-CG 3.34Å; M554-E558 PolarHBondContact O-N 3.39Å
555	L	39.6	Very low	41.1	Very low	68 Å²	68	76.5 Å²	76.5	36%	0.356	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-38.2	172.8	-81	167.9	0	0	0	113	F551 E558 M559	F551-L555 HydrophobicContact CD1-CD1 3.63Å; F551-L555 HydrophobicContact CD1-CG 4.42Å; F551-L555 HydrophobicContact CE1-CD1 3.49Å; F551-L555 VanDerWaalsContact CE1-CD1 3.49Å; F551-L555 HydrophobicContact CE1-CG 4.24Å; F551-L555 HydrophobicContact CG-CD1 4.46Å; F551-L555 HydrophobicContact CZ-CD1 4.21Å; F551-L555 WeakPolarHBondContact O-CB 3.48Å; F551-L555 WeakPolarHBondContact O-CG 3.34Å; F551-L555 PolarHBondContact O-N 2.82Å; L555-E558 PolarHBondContact O-N 3.05Å; L555-M559 WeakPolarHBondContact O-CB 3.46Å; L555-M559 VanDerWaalsContact O-CG 3.25Å; L555-M559 WeakPolarHBondContact O-CG 2.84Å; L555-M559 PolarHBondContact O-N 3.44Å
556	R	41.6	Very low	41.3	Very low	146 Å²	146	76.7 Å²	76.7	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-39.1	177.6	-176.6	-178.6	-70.2	179.1	-2.6	111.5	P552 W553 M554 M559 Q560	P552-R556 VanDerWaalsContact O-CB 3.22Å; P552-R556 WeakPolarHBondContact O-CB 3.45Å; P552-R556 PolarHBondContact O-N 2.82Å; W553-R556 PolarHBondContact O-N 3.05Å; M554-R556 VanDerWaalsContact C-N 3.35Å; M554-R556 PolarHBondContact O-N 3.17Å; R556-M559 PolarHBondContact O-N 2.92Å; R556-Q560 WeakPolarHBondContact O-CG 3.19Å; R556-Q560 PolarHBondContact O-N 3.28Å
557	A	40.9	Very low	41.2	Very low	8 Å²	8	81.2 Å²	81.2	7%	0.066	42%	0.419	C	S	.	.	H	α-helix	trans	-65.1	-46.6	174.2	0	0	0	0	0	111.5	L105 W553 M554 M559 Q560 S561	L105-A557 HydrophobicContact CD1-CB 4.41Å; L105-A557 HydrophobicContact CG-CB 4.44Å; W553-A557 PolarHBondContact O-N 2.95Å; M554-A557 PolarHBondContact O-N 3Å; A557-M559 VanDerWaalsContact C-N 3.28Å; A557-M559 PolarHBondContact O-N 3.18Å; A557-Q560 PolarHBondContact O-N 3.09Å; A557-Q560 VanDerWaalsContact O-N 3.16Å; A557-S561 PolarHBondContact O-N 2.75Å
558	E	40	Very low	41.3	Very low	95 Å²	95	80.1 Å²	80.1	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-25.1	176.3	-72.3	179.5	167.5	0	0	114.1	L105 M554 L555 S561	L105-E558 HydrophobicContact CD2-CG 4.27Å; M554-E558 WeakPolarHBondContact O-CG 3.34Å; M554-E558 PolarHBondContact O-N 3.39Å; L555-E558 PolarHBondContact O-N 3.05Å; E558-S561 PolarHBondContact O-OG 2.78Å
559	M	33.3	Very low	42	Very low	162 Å²	162	80.4 Å²	80.4	80%	0.798	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0	175.7	-67.8	-165.2	92.1	0	0	114	L555 R556 A557	L555-M559 WeakPolarHBondContact O-CB 3.46Å; L555-M559 VanDerWaalsContact O-CG 3.25Å; L555-M559 WeakPolarHBondContact O-CG 2.84Å; L555-M559 PolarHBondContact O-N 3.44Å; R556-M559 PolarHBondContact O-N 2.92Å; A557-M559 VanDerWaalsContact C-N 3.28Å; A557-M559 PolarHBondContact O-N 3.18Å
560	Q	37.7	Very low	42.1	Very low	120 Å²	120	82.3 Å²	82.3	56%	0.561	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-4.2	177.7	-70.6	-176.4	-14	0	0	113.5	W148 R556 A557	W148-Q560 HydrophobicContact CH2-CB 4.37Å; W148-Q560 HydrophobicContact CZ3-CB 4.35Å; R556-Q560 WeakPolarHBondContact O-CG 3.19Å; R556-Q560 PolarHBondContact O-N 3.28Å; A557-Q560 PolarHBondContact O-N 3.09Å; A557-Q560 VanDerWaalsContact O-N 3.16Å
561	S	35.8	Very low	41.3	Very low	132 Å²	132	88.9 Å²	88.9	92%	0.923	45%	0.447	S	S	*	.			trans	-95.4	0	166.8	63.2	0	0	0	0	111.9	A557 E558	A557-S561 PolarHBondContact O-N 2.75Å; E558-S561 PolarHBondContact O-OG 2.78Å

Retrieved 561 of 561 residues in 1894.6 ms (Link to these results)

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