A0A024R0A8_HUMAN Loading...

Adenosylhomocysteinase

AlphaFold DB (A0A4X1TEF2), UniProt , Accession A0A024R0A8, Species HUMAN (Homo sapiens, Human), Gene AHCYL1, Length 530 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.1	Very low	37	Very low	255 Å²	255	145.9 Å²	145.9	100%	1.256	86%	0.86	S	S	*	*				0	114.6	0	-101.1	176.8	162.8	0	0	107.5
2	S	33.1	Very low	37.2	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	85%	0.845	S	S	*	*			trans	-91.3	134.5	-177.1	42.9	0	0	0	0	111.1
3	M	30.8	Very low	37.2	Very low	187 Å²	187	136.3 Å²	136.3	92%	0.921	82%	0.823	S	S	*	*			trans	-131.1	138.5	150.3	-74.8	-161.3	179	0	0	107.9
4	P	40.4	Very low	37.5	Very low	127 Å²	127	138.1 Å²	138.1	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-93.9	135.2	177	33.9	-27.4	0	0	0	111.3
5	D	34.3	Very low	37.7	Very low	168 Å²	168	138.5 Å²	138.5	90%	0.898	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80	137.7	167.7	-82.2	-36.2	0	0	0	111
6	A	35.8	Very low	37.9	Very low	99 Å²	99	137.6 Å²	137.6	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.6	141.2	-176.4	0	0	0	0	0	113
7	M	36.2	Very low	38.3	Very low	182 Å²	182	138.6 Å²	138.6	90%	0.897	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.7	141.3	168.9	-71.7	-158.2	-79.5	0	0	111.5
8	P	37.5	Very low	38.6	Very low	125 Å²	125	138.1 Å²	138.1	81%	0.812	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-82.7	136.3	171.9	30.9	-28.3	0	0	0	111.6
9	L	38	Very low	38.6	Very low	169 Å²	169	133.7 Å²	133.7	89%	0.885	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-67.7	137.9	174.8	-70.6	162.4	0	0	0	111.6
10	P	38.1	Very low	38.7	Very low	127 Å²	127	134.1 Å²	134.1	83%	0.825	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-85	134.8	167.6	32.7	-28.1	0	0	0	109.9
11	G	44.5	Very low	38.8	Very low	48 Å²	48	134.2 Å²	134.2	50%	0.495	75%	0.751	S	S	.	*			trans	167.4	-17.9	170.3	0	0	0	0	0	118.6
12	V	40.2	Very low	39.1	Very low	112 Å²	112	127 Å²	127	68%	0.679	72%	0.716	S	S	*	*	H	α-helix	trans	-94	-13.3	-170.1	-166.8	0	0	0	0	113.3	L16	V12-L16 HydrophobicContact CG1-CD1 4.4Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å
13	G	36.7	Very low	39.1	Very low	55 Å²	55	127.3 Å²	127.3	57%	0.567	71%	0.705	S	S	*	*	H	α-helix	trans	-85.3	-23.7	-175.6	0	0	0	0	0	116
14	E	41.8	Very low	39.5	Very low	162 Å²	162	122.5 Å²	122.5	76%	0.757	68%	0.683	S	S	*	*	H	α-helix	trans	-87.9	-37.3	-178.5	-78.4	-175.6	150	0	0	112.4	L16 K17 Q18	E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 3.26Å; E14-K17 PolarHBondContact O-N 2.96Å; E14-K17 VanDerWaalsContact O-N 3.11Å; E14-Q18 PolarHBondContact O-N 3.24Å
15	E	40.2	Very low	39.3	Very low	143 Å²	143	119.4 Å²	119.4	67%	0.668	67%	0.667	S	S	*	*	H	α-helix	trans	-63.7	-35	176.1	-69.3	-177.1	160.2	0	0	112.2	K17 Q18 A19	E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.21Å; E15-Q18 PolarHBondContact O-N 3.08Å; E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.09Å
16	L	40.5	Very low	39.3	Very low	124 Å²	124	117.8 Å²	117.8	65%	0.649	66%	0.655	S	S	*	*	H	α-helix	trans	-72.4	-22.5	175.2	-83.4	163	0	0	0	113.7	V12 E14	V12-L16 HydrophobicContact CG1-CD1 4.4Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 3.26Å
17	K	45.5	Very low	39.1	Very low	155 Å²	155	120 Å²	120	67%	0.674	65%	0.646	S	S	*	*	H	α-helix	trans	-80.8	-41.2	172	-88.3	-176.7	175.2	-179.8	0	111.4	E14 E15 K20 E21	E14-K17 PolarHBondContact O-N 2.96Å; E14-K17 VanDerWaalsContact O-N 3.11Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.21Å; K17-K20 PolarHBondContact O-N 3.35Å; K17-E21 PolarHBondContact O-N 3.14Å; K17-E21 VanDerWaalsContact O-N 3.09Å
18	Q	42.3	Very low	39	Very low	129 Å²	129	121.2 Å²	121.2	60%	0.603	64%	0.642	S	S	*	*	H	α-helix	trans	-65.9	-39.4	176.9	-121.1	171	11.2	0	0	112.1	E14 E15 K20 E21 I22	E14-Q18 PolarHBondContact O-N 3.24Å; E15-Q18 PolarHBondContact O-N 3.08Å; Q18-K20 VanDerWaalsContact C-N 3.29Å; Q18-K20 PolarHBondContact O-N 3.07Å; Q18-E21 PolarHBondContact O-N 2.77Å; Q18-I22 WeakPolarHBondContact O-CD1 3.4Å; Q18-I22 VanDerWaalsContact O-CG1 3.27Å; Q18-I22 WeakPolarHBondContact O-CG1 3.47Å; Q18-I22 PolarHBondContact O-N 3.28Å; Q18-I22 VanDerWaalsContact O-N 3.07Å
19	A	39.6	Very low	38.7	Very low	55 Å²	55	119.7 Å²	119.7	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-62.6	-35.8	174.7	0	0	0	0	0	112.5	E15 E23	E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.09Å; A19-E23 WeakPolarHBondContact O-CB 3.38Å; A19-E23 PolarHBondContact O-N 3.33Å
20	K	41.1	Very low	38.1	Very low	141 Å²	141	120.7 Å²	120.7	61%	0.613	63%	0.632	S	S	*	*	H	α-helix	trans	-73.2	-35.5	178.4	-136.2	176	-174.1	178.9	0	112.8	K17 Q18 D24	K17-K20 PolarHBondContact O-N 3.35Å; Q18-K20 VanDerWaalsContact C-N 3.29Å; Q18-K20 PolarHBondContact O-N 3.07Å; K20-D24 WeakPolarHBondContact O-CB 3.27Å; K20-D24 PolarHBondContact O-N 2.83Å
21	E	40.8	Very low	37.7	Very low	138 Å²	138	123.2 Å²	123.2	65%	0.645	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-32.9	174.5	-74.8	178.8	168.7	0	0	112.5	K17 Q18 A25	K17-E21 PolarHBondContact O-N 3.14Å; K17-E21 VanDerWaalsContact O-N 3.09Å; Q18-E21 PolarHBondContact O-N 2.77Å; E21-A25 WeakPolarHBondContact O-CB 3.32Å; E21-A25 PolarHBondContact O-N 2.91Å
22	I	43.2	Very low	36.9	Very low	102 Å²	102	124.9 Å²	124.9	52%	0.523	64%	0.644	S	S	.	*	H	α-helix	trans	-72.3	-40.5	174.5	-65.9	165.5	0	0	0	110.8	Q18 D24 A25 E26	Q18-I22 WeakPolarHBondContact O-CD1 3.4Å; Q18-I22 VanDerWaalsContact O-CG1 3.27Å; Q18-I22 WeakPolarHBondContact O-CG1 3.47Å; Q18-I22 PolarHBondContact O-N 3.28Å; Q18-I22 VanDerWaalsContact O-N 3.07Å; I22-D24 VanDerWaalsContact C-N 3.34Å; I22-D24 PolarHBondContact O-N 2.77Å; I22-A25 PolarHBondContact O-N 3.44Å; I22-E26 PolarHBondContact O-N 2.72Å
23	E	33.6	Very low	36.5	Very low	126 Å²	126	125.7 Å²	125.7	59%	0.589	65%	0.649	S	S	*	*	H	α-helix	trans	-67.4	-34.4	177	-146.2	-179.9	-172.7	0	0	112.2	A19 K27	A19-E23 WeakPolarHBondContact O-CB 3.38Å; A19-E23 PolarHBondContact O-N 3.33Å; E23-K27 PolarHBondContact O-N 3.1Å
24	D	38.9	Very low	36	Very low	86 Å²	86	130.1 Å²	130.1	46%	0.46	67%	0.665	S	S	.	*	H	α-helix	trans	-71.4	-36.5	171.8	-77.1	-24.6	0	0	0	111.6	K20 I22 K27 Y28	K20-D24 WeakPolarHBondContact O-CB 3.27Å; K20-D24 PolarHBondContact O-N 2.83Å; I22-D24 VanDerWaalsContact C-N 3.34Å; I22-D24 PolarHBondContact O-N 2.77Å; D24-K27 PolarHBondContact O-N 3.2Å; D24-Y28 WeakPolarHBondContact O-CD2 3.49Å; D24-Y28 PolarHBondContact O-N 3.39Å
25	A	36.4	Very low	35.4	Very low	61 Å²	61	128.5 Å²	128.5	50%	0.504	67%	0.666	S	S	.	*	H	α-helix	trans	-66.7	-36.5	174.9	0	0	0	0	0	113.2	E21 I22 Y28 S29	E21-A25 WeakPolarHBondContact O-CB 3.32Å; E21-A25 PolarHBondContact O-N 2.91Å; I22-A25 PolarHBondContact O-N 3.44Å; A25-Y28 PolarHBondContact O-N 3.1Å; A25-S29 PolarHBondContact O-N 2.96Å
26	E	34	Very low	34.6	Very low	135 Å²	135	131.7 Å²	131.7	63%	0.631	68%	0.678	S	S	*	*	H	α-helix	trans	-70.9	-31.2	175	-75.4	-171.3	159	0	0	112.5	I22 Y28 S29 F30	I22-E26 PolarHBondContact O-N 2.72Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.14Å; E26-S29 PolarHBondContact O-N 3.16Å; E26-S29 VanDerWaalsContact O-N 3.07Å; E26-F30 PolarHBondContact O-N 2.93Å
27	K	32.9	Very low	33.9	Very low	146 Å²	146	130.5 Å²	130.5	64%	0.635	69%	0.686	S	S	*	*	H	α-helix	trans	-63.5	-30.5	170.2	-94.4	176.5	-179.1	162.9	0	113.4	E23 D24 S29	E23-K27 PolarHBondContact O-N 3.1Å; D24-K27 PolarHBondContact O-N 3.2Å; K27-S29 VanDerWaalsContact C-N 3.3Å
28	Y	32.7	Very low	33.2	Very low	207 Å²	207	129 Å²	129	81%	0.812	69%	0.692	S	S	*	*	H	α-helix	trans	-74.5	-18.6	173	-79.7	-75.5	0	0	0	113.4	D24 A25 E26	D24-Y28 WeakPolarHBondContact O-CD2 3.49Å; D24-Y28 PolarHBondContact O-N 3.39Å; A25-Y28 PolarHBondContact O-N 3.1Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.14Å
29	S	30.8	Very low	32.5	Very low	93 Å²	93	132.7 Å²	132.7	65%	0.65	71%	0.706	S	S	*	*	H	α-helix	trans	-85	-27.4	177.9	-176.1	0	0	0	0	113.3	A25 E26 K27	A25-S29 PolarHBondContact O-N 2.96Å; E26-S29 PolarHBondContact O-N 3.16Å; E26-S29 VanDerWaalsContact O-N 3.07Å; K27-S29 VanDerWaalsContact C-N 3.3Å
30	F	25.8	Very low	32	Very low	189 Å²	189	138.9 Å²	138.9	83%	0.829	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1.2	-169.1	-146.1	-96.4	0	0	0	116.1	E26	E26-F30 PolarHBondContact O-N 2.93Å
31	M	29.5	Very low	31.7	Very low	180 Å²	180	139.6 Å²	139.6	89%	0.887	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	6	176.2	-82.8	-166.5	159.6	0	0	114.7	T33	M31-T33 VanDerWaalsContact C-N 3.31Å; M31-T33 PolarHBondContact O-N 2.98Å
32	A	28.9	Very low	31.5	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	71%	0.712	S	S	*	*	S	Bend	trans	-89.4	39	179.8	0	0	0	0	0	113.9
33	T	31.3	Very low	31	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	72%	0.716	S	S	*	*			trans	-164.9	99.8	166.4	-1.7	0	0	0	0	111.2	M31	M31-T33 VanDerWaalsContact C-N 3.31Å; M31-T33 PolarHBondContact O-N 2.98Å
34	V	26.2	Very low	31.5	Very low	148 Å²	148	135.3 Å²	135.3	90%	0.897	71%	0.706	S	S	*	*			trans	178.1	123.6	135	166.9	0	0	0	0	107.6
35	T	29.5	Very low	31.4	Very low	129 Å²	129	133.4 Å²	133.4	79%	0.791	70%	0.703	S	S	*	*			trans	-88.4	146	-170.5	37.2	0	0	0	0	113.7
36	K	23.7	Very low	31.3	Very low	209 Å²	209	135.1 Å²	135.1	91%	0.909	70%	0.703	S	S	*	*			trans	-167.8	118.7	133.2	-107.4	171.6	-176	179.8	0	113.5
37	A	25.8	Very low	31.7	Very low	100 Å²	100	131.4 Å²	131.4	83%	0.826	69%	0.688	S	S	*	*			trans	68.9	123.4	165.4	0	0	0	0	0	119.5
38	P	30.1	Very low	31.9	Very low	123 Å²	123	128.1 Å²	128.1	80%	0.799	68%	0.676	S	S	*	*			trans	-95.4	128.1	-172	35.8	-29.6	0	0	0	112.9
39	K	27.6	Very low	32	Very low	207 Å²	207	125.4 Å²	125.4	90%	0.9	67%	0.67	S	S	*	*			trans	-91.8	118	139.5	-78.5	179.9	176.9	177.4	0	105.5	Q41	K39-Q41 PolarHBondContact O-N 3.46Å
40	K	29.4	Very low	32.2	Very low	184 Å²	184	128.8 Å²	128.8	80%	0.8	68%	0.676	S	S	*	*			trans	-58	112.9	179.6	-78.5	-176.6	173.7	-173.2	0	109.1
41	Q	34.3	Very low	32.7	Very low	156 Å²	156	124.8 Å²	124.8	73%	0.729	66%	0.658	S	S	*	*			trans	-81.8	137.4	165.3	-142.8	169.9	13.2	0	0	105.8	K39 Q43	K39-Q41 PolarHBondContact O-N 3.46Å; Q41-Q43 PolarHBondContact O-N 3.04Å
42	I	36.8	Very low	32.9	Very low	57 Å²	57	120.1 Å²	120.1	29%	0.292	64%	0.64	S	S	.	*			trans	-58.3	104.7	169.5	-67.2	164.9	0	0	0	106.9	F44 E140 P142	I42-F44 HydrophobicContact CB-CE2 4.28Å; I42-F44 HydrophobicContact CB-CZ 4.31Å; I42-F44 HydrophobicContact CG2-CD1 4.04Å; I42-F44 HydrophobicContact CG2-CD2 4.27Å; I42-F44 HydrophobicContact CG2-CE1 3.82Å; I42-F44 HydrophobicContact CG2-CE2 4.06Å; I42-F44 HydrophobicContact CG2-CG 4.26Å; I42-F44 HydrophobicContact CG2-CZ 3.83Å; I42-F44 VanDerWaalsContact O-CD2 3.31Å; I42-F44 WeakPolarHBondContact O-CD2 3.37Å; I42-F44 PolarHBondContact O-N 3.32Å; I42-F44 VanDerWaalsContact O-N 3.11Å; I42-E140 WeakPolarHBondContact CG1-OE2 3.48Å; I42-P142 HydrophobicContact CD1-CB 4.02Å
43	Q	33.9	Very low	32.9	Very low	134 Å²	134	124.8 Å²	124.8	63%	0.626	65%	0.645	S	S	*	*			trans	-79.9	89.7	175.5	-85.8	-178.7	-53.9	0	0	108.3	Q41 A45 D46	Q41-Q43 PolarHBondContact O-N 3.04Å; Q43-A45 PolarHBondContact O-N 3.2Å; Q43-D46 PolarHBondContact O-N 2.97Å
44	F	43.1	Very low	33.1	Very low	85 Å²	85	127 Å²	127	37%	0.373	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.8	-1.7	174.9	-62.6	-81.3	0	0	0	115	I42	I42-F44 HydrophobicContact CB-CE2 4.28Å; I42-F44 HydrophobicContact CB-CZ 4.31Å; I42-F44 HydrophobicContact CG2-CD1 4.04Å; I42-F44 HydrophobicContact CG2-CD2 4.27Å; I42-F44 HydrophobicContact CG2-CE1 3.82Å; I42-F44 HydrophobicContact CG2-CE2 4.06Å; I42-F44 HydrophobicContact CG2-CG 4.26Å; I42-F44 HydrophobicContact CG2-CZ 3.83Å; I42-F44 VanDerWaalsContact O-CD2 3.31Å; I42-F44 WeakPolarHBondContact O-CD2 3.37Å; I42-F44 PolarHBondContact O-N 3.32Å; I42-F44 VanDerWaalsContact O-N 3.11Å
45	A	35.7	Very low	33.4	Very low	47 Å²	47	125.6 Å²	125.6	39%	0.388	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-31.6	-177.3	0	0	0	0	0	113.5	Q43	Q43-A45 PolarHBondContact O-N 3.2Å
46	D	34.4	Very low	33.6	Very low	96 Å²	96	126 Å²	126	51%	0.513	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-24.3	-175.3	-66.3	-26.3	0	0	0	112.1	Q43 M48 Q49	Q43-D46 PolarHBondContact O-N 2.97Å; D46-M48 VanDerWaalsContact C-N 3.25Å; D46-M48 PolarHBondContact O-N 3.26Å; D46-Q49 PolarHBondContact O-N 3.35Å
47	D	44.1	Very low	34	Very low	57 Å²	57	125.8 Å²	125.8	31%	0.305	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-9.7	-177.7	-77.6	7	0	0	0	114.9	Q49 F51 R136	D47-Q49 VanDerWaalsContact C-N 3.27Å; D47-F51 WeakPolarHBondContact O-CD2 3.47Å; D47-R136 IonicContact OD2-NH1 3.23Å; D47-R136 PolarHBondContact OD2-NH1 2.85Å
48	M	37.3	Very low	34.2	Very low	78 Å²	78	128.1 Å²	128.1	38%	0.384	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-22	173.2	-76.7	-93.8	60	0	0	112.3	D46 N520	D46-M48 VanDerWaalsContact C-N 3.25Å; D46-M48 PolarHBondContact O-N 3.26Å; M48-N520 HydrophobicContact CG-CB 4.46Å
49	Q	33.3	Very low	34.2	Very low	150 Å²	150	125.7 Å²	125.7	70%	0.701	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-29.1	-179.2	-72.3	-175.2	-4.6	0	0	113.4	D46 D47 F51 T52	D46-Q49 PolarHBondContact O-N 3.35Å; D47-Q49 VanDerWaalsContact C-N 3.27Å; Q49-F51 VanDerWaalsContact C-N 3.27Å; Q49-F51 PolarHBondContact O-N 3.45Å; Q49-T52 PolarHBondContact O-N 3.35Å; Q49-T52 PolarHBondContact O-OG1 3.17Å
50	E	36.1	Very low	34.5	Very low	163 Å²	163	128 Å²	128	76%	0.762	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-71.3	-17.6	-178.2	-89.5	-166.5	157.6	0	0	114.1	T52	E50-T52 VanDerWaalsContact C-N 3.29Å; E50-T52 PolarHBondContact O-N 3.1Å
51	F	35.9	Very low	34.7	Very low	105 Å²	105	130.9 Å²	130.9	46%	0.461	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-76.9	-11.4	175.9	-83	-88.2	0	0	0	114.4	D47 Q49	D47-F51 WeakPolarHBondContact O-CD2 3.47Å; Q49-F51 VanDerWaalsContact C-N 3.27Å; Q49-F51 PolarHBondContact O-N 3.45Å
52	T	33.7	Very low	34.6	Very low	83 Å²	83	129 Å²	129	51%	0.509	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-88.2	-1.8	-174.4	61.5	0	0	0	0	114.5	Q49 E50	Q49-T52 PolarHBondContact O-N 3.35Å; Q49-T52 PolarHBondContact O-OG1 3.17Å; E50-T52 VanDerWaalsContact C-N 3.29Å; E50-T52 PolarHBondContact O-N 3.1Å
53	K	29	Very low	34.4	Very low	182 Å²	182	134.8 Å²	134.8	79%	0.791	69%	0.685	S	S	*	*			trans	-122	102	-178.6	-72.9	-179.1	-179.3	172.2	0	112
54	F	36.2	Very low	34.4	Very low	174 Å²	174	133.7 Å²	133.7	76%	0.763	69%	0.692	S	S	*	*			trans	-116.3	151.7	165.6	-80.3	-81.1	0	0	0	112.9
55	P	31.5	Very low	34	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	72%	0.719	S	S	*	*			trans	-79.9	131.9	-174.5	1.1	16.8	0	0	0	111.8	K57	P55-K57 PolarHBondContact O-N 3.38Å
56	T	33.5	Very low	33.9	Very low	138 Å²	138	145 Å²	145	85%	0.847	74%	0.74	S	S	*	*			trans	-73.5	104.6	169.6	49.9	0	0	0	0	111
57	K	31.5	Very low	33.8	Very low	205 Å²	205	147.9 Å²	147.9	89%	0.891	75%	0.754	S	S	*	*			trans	-139.6	93.1	154	-77.2	-165.2	178.9	176.9	0	111.2	P55 G59	P55-K57 PolarHBondContact O-N 3.38Å; K57-G59 PolarHBondContact O-N 2.87Å
58	T	31.9	Very low	33.4	Very low	148 Å²	148	150.7 Å²	150.7	91%	0.908	78%	0.778	S	S	*	*			trans	-71.6	109.7	168	45.6	0	0	0	0	110.7
59	G	29.2	Very low	33	Very low	73 Å²	73	155.8 Å²	155.8	75%	0.753	80%	0.801	S	S	*	*			trans	-107.8	106.1	163	0	0	0	0	0	109.8	K57 R61	K57-G59 PolarHBondContact O-N 2.87Å; G59-R61 PolarHBondContact O-N 2.88Å
60	R	33.5	Very low	33.1	Very low	255 Å²	255	154.4 Å²	154.4	96%	0.962	81%	0.808	S	S	*	*			trans	-64.9	125.4	173.4	-78.1	178.4	173.9	173	-1.7	109.8
61	R	33.8	Very low	32.9	Very low	244 Å²	244	151.6 Å²	151.6	92%	0.921	81%	0.806	S	S	*	*			trans	-122.4	123.2	158.5	-82.7	-175.1	175.4	178.2	-1.1	109.5	G59	G59-R61 PolarHBondContact O-N 2.88Å
62	S	32.2	Very low	33	Very low	118 Å²	118	152.9 Å²	152.9	83%	0.825	82%	0.822	S	S	*	*			trans	-70.8	129.4	178.3	50.1	0	0	0	0	111.2
63	L	33.5	Very low	32.7	Very low	177 Å²	177	155.2 Å²	155.2	93%	0.927	83%	0.832	S	S	*	*			trans	-84.7	111.9	170.3	-71.4	164.3	0	0	0	109.5
64	S	33.5	Very low	32.7	Very low	111 Å²	111	152.4 Å²	152.4	78%	0.776	84%	0.835	S	S	*	*			trans	-88.6	125.1	166.1	51.3	0	0	0	0	109.8	S66	S64-S66 PolarHBondContact O-N 3.11Å
65	R	35	Very low	32.3	Very low	253 Å²	253	153.8 Å²	153.8	96%	0.955	84%	0.837	S	S	*	*			trans	-63	126.6	170.9	-70.6	176.2	174.8	172	-2.5	109.9
66	S	33.2	Very low	32.1	Very low	116 Å²	116	153.2 Å²	153.2	81%	0.811	84%	0.835	S	S	*	*			trans	-113.5	134.9	163.7	54.2	0	0	0	0	110.7	S64	S64-S66 PolarHBondContact O-N 3.11Å
67	I	32.2	Very low	32	Very low	158 Å²	158	152.1 Å²	152.1	81%	0.81	83%	0.833	S	S	*	*			trans	-71.6	136.7	179.7	-75.9	161.9	0	0	0	109.4	Q69	I67-Q69 PolarHBondContact O-N 2.88Å
68	S	35.4	Very low	31.9	Very low	116 Å²	116	146 Å²	146	81%	0.811	82%	0.821	S	S	*	*			trans	-59.9	118.9	174.5	49.9	0	0	0	0	111.7
69	Q	30	Very low	31.7	Very low	185 Å²	185	142.9 Å²	142.9	86%	0.864	81%	0.81	S	S	*	*			trans	-106.2	128.2	157.1	-79	-165.2	-13.4	0	0	108.6	I67 S71	I67-Q69 PolarHBondContact O-N 2.88Å; Q69-S71 PolarHBondContact O-N 3.35Å
70	S	34.5	Very low	31.6	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	80%	0.804	S	S	*	*			trans	-68.2	114.3	173	50.8	0	0	0	0	110
71	S	32.4	Very low	31.7	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	80%	0.802	S	S	*	*			trans	-94.8	111.1	167	-61.2	0	0	0	0	109.2	Q69 D73	Q69-S71 PolarHBondContact O-N 3.35Å; S71-D73 PolarHBondContact O-N 3.36Å
72	T	37.3	Very low	31.7	Very low	132 Å²	132	136.3 Å²	136.3	81%	0.81	79%	0.791	S	S	*	*			trans	-69.6	91.6	160.3	41.3	0	0	0	0	108.8
73	D	27.1	Very low	32	Very low	132 Å²	132	137.4 Å²	137.4	71%	0.706	79%	0.787	S	S	*	*			trans	-126.8	84.6	161.9	-80.3	-38.6	0	0	0	108.5	S71 Y75	S71-D73 PolarHBondContact O-N 3.36Å; D73-Y75 VanDerWaalsContact C-N 3.27Å; D73-Y75 PolarHBondContact O-N 3.07Å
74	S	29.1	Very low	32.3	Very low	123 Å²	123	132 Å²	132	86%	0.86	76%	0.764	S	S	*	*			trans	-73	81.2	169.1	-62	0	0	0	0	109.5	S76	S74-S76 PolarHBondContact O-N 2.73Å
75	Y	27.1	Very low	32.7	Very low	204 Å²	204	132.2 Å²	132.2	80%	0.8	77%	0.766	S	S	*	*			trans	-77.9	99	153.4	-91.7	-86.5	0	0	0	107.7	D73 S77	D73-Y75 VanDerWaalsContact C-N 3.27Å; D73-Y75 PolarHBondContact O-N 3.07Å; Y75-S77 VanDerWaalsContact C-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.38Å; Y75-S77 PolarHBondContact O-OG 2.94Å
76	S	28.3	Very low	33.3	Very low	105 Å²	105	124.6 Å²	124.6	73%	0.734	74%	0.744	S	S	*	*			trans	-49.9	99.3	162.6	179.8	0	0	0	0	108.1	S74 A78	S74-S76 PolarHBondContact O-N 2.73Å; S76-A78 PolarHBondContact O-N 3.49Å
77	S	31.3	Very low	34.3	Very low	116 Å²	116	123 Å²	123	81%	0.811	73%	0.727	S	S	*	*			trans	-80.8	56.5	171.7	-57	0	0	0	0	108.3	Y75 A79	Y75-S77 VanDerWaalsContact C-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.38Å; Y75-S77 PolarHBondContact O-OG 2.94Å; S77-A79 PolarHBondContact O-N 2.83Å; S77-A79 VanDerWaalsContact O-N 3.13Å
78	A	28.8	Very low	35.7	Very low	77 Å²	77	124.5 Å²	124.5	64%	0.636	73%	0.73	S	S	*	*			trans	-79.4	65.7	153.5	0	0	0	0	0	106.7	S76 S80	S76-A78 PolarHBondContact O-N 3.49Å; A78-S80 PolarHBondContact O-N 2.92Å
79	A	28.5	Very low	37.7	Very low	81 Å²	81	122.1 Å²	122.1	67%	0.669	71%	0.711	S	S	*	*			trans	-69.6	83.5	155.5	0	0	0	0	0	105.1	S77 Y81	S77-A79 PolarHBondContact O-N 2.83Å; S77-A79 VanDerWaalsContact O-N 3.13Å; A79-Y81 PolarHBondContact O-N 3.07Å
80	S	27.4	Very low	40.4	Very low	91 Å²	91	114.9 Å²	114.9	64%	0.636	68%	0.681	S	S	*	*			trans	-51.9	111.1	161.4	54.6	0	0	0	0	105.9	A78 T82	A78-S80 PolarHBondContact O-N 2.92Å; S80-T82 PolarHBondContact O-N 3.49Å
81	Y	34.5	Very low	43.1	Very low	230 Å²	230	109.4 Å²	109.4	90%	0.902	64%	0.642	S	S	*	*			trans	-55.5	93.8	158	-72.1	-84.3	0	0	0	105.4	A79 D83	A79-Y81 PolarHBondContact O-N 3.07Å; Y81-D83 PolarHBondContact O-N 3.11Å
82	T	34.3	Very low	45.9	Very low	114 Å²	114	109.8 Å²	109.8	70%	0.699	63%	0.628	S	S	*	*			trans	-66.6	94.8	164.2	50.1	0	0	0	0	104.4	S80 S84	S80-T82 PolarHBondContact O-N 3.49Å; T82-S84 PolarHBondContact O-N 3.1Å
83	D	39.3	Very low	48.3	Very low	140 Å²	140	110.4 Å²	110.4	75%	0.749	62%	0.622	S	S	*	*			trans	-46.9	87.7	150.2	-165.1	31	0	0	0	106	Y81	Y81-D83 PolarHBondContact O-N 3.11Å
84	S	39.3	Very low	51.3	Low	63 Å²	63	106.8 Å²	106.8	44%	0.441	60%	0.6	S	S	.	*			trans	-76.8	134.7	-179.1	-176.3	0	0	0	0	105.9	T82 D86 D87	T82-S84 PolarHBondContact O-N 3.1Å; S84-D86 PolarHBondContact O-N 3.04Å; S84-D87 PolarHBondContact O-N 2.95Å
85	S	41.5	Very low	54.2	Low	117 Å²	117	110.6 Å²	110.6	82%	0.818	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	14.7	-178.7	58.2	0	0	0	0	116.8
86	D	47.9	Very low	57.4	Low	93 Å²	93	102.4 Å²	102.4	50%	0.497	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	-1.2	174.6	-84.6	-20.2	0	0	0	113.1	S84 K94	S84-D86 PolarHBondContact O-N 3.04Å; D86-K94 PolarHBondContact O-NZ 2.78Å
87	D	54.4	Low	60.7	Low	83 Å²	83	101.6 Å²	101.6	44%	0.444	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-9.7	-171.8	-88.9	-42.5	0	0	0	115.9	S84 K108	S84-D87 PolarHBondContact O-N 2.95Å; D87-K108 WeakPolarHBondContact OD1-CE 3.43Å; D87-K108 IonicContact OD1-NZ 3.22Å; D87-K108 PolarHBondContact OD1-NZ 2.83Å
88	E	61.9	Low	63.8	Low	188 Å²	188	96.5 Å²	96.5	88%	0.879	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.2	-178.9	-73	-84.2	139.9	0	0	113.9
89	V	75.8	Confident	67	Low	66 Å²	66	97.4 Å²	97.4	40%	0.4	53%	0.529	S	S	.	.	S	Bend	trans	-100.4	127.2	-174.1	-179.4	0	0	0	0	110.8	E93 K94	V89-E93 HydrophobicContact CG1-CB 3.88Å; V89-E93 WeakPolarHBondContact CG1-OE2 3.34Å; V89-K94 HydrophobicContact CG1-CG 4.21Å; V89-K94 VanDerWaalsContact O-CE 3.24Å; V89-K94 WeakPolarHBondContact O-CE 3.39Å
90	S	86.6	Confident	70.2	Confident	34 Å²	34	100.8 Å²	100.8	24%	0.238	53%	0.528	C	S	.	.			trans	-56.8	137.3	178.1	176.9	0	0	0	0	111.1	R92 E93	S90-R92 PolarHBondContact O-N 3.14Å; S90-R92 PolarHBondContact OG-N 2.98Å; S90-E93 PolarHBondContact O-N 3.31Å
91	P	91.6	Very high	73.4	Confident	5 Å²	5	99.1 Å²	99.1	3%	0.032	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-53.5	-24.7	174.5	-30.6	39.9	0	0	0	114.3	E93 K94 K108 W200	P91-E93 VanDerWaalsContact C-N 3.26Å; P91-E93 PolarHBondContact O-N 2.92Å; P91-K94 PolarHBondContact O-N 3.41Å; P91-K108 HydrophobicContact CG-CD 3.99Å; P91-W200 HydrophobicContact CB-CD2 4.01Å; P91-W200 HydrophobicContact CB-CE3 3.96Å; P91-W200 HydrophobicContact CB-CZ3 4.28Å; P91-W200 HydrophobicContact CG-CB 4.42Å; P91-W200 HydrophobicContact CG-CD2 3.66Å; P91-W200 HydrophobicContact CG-CE3 4.14Å; P91-W200 HydrophobicContact CG-CG 3.77Å; P91-W200 HydrophobicContact CG-CZ2 4.39Å
92	R	91.1	Very high	76.2	Confident	111 Å²	111	90.4 Å²	90.4	42%	0.419	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-67	-26	177.1	-67.8	172.5	60.3	-171.9	-3.1	113.8	S90 W200 D207 W210	S90-R92 PolarHBondContact O-N 3.14Å; S90-R92 PolarHBondContact OG-N 2.98Å; R92-W200 HydrophobicContact CG-CH2 3.67Å; R92-W200 HydrophobicContact CG-CZ2 4.41Å; R92-W200 HydrophobicContact CG-CZ3 4.37Å; R92-D207 WeakPolarHBondContact CD-OD1 3.23Å; R92-D207 IonicContact CZ-OD1 2.67Å; R92-D207 IonicContact NE-OD1 2.83Å; R92-D207 IonicContact NH1-OD1 2.68Å; R92-D207 PolarHBondContact NH1-OD1 3Å; R92-W210 HydrophobicContact CG-CE3 4.21Å; R92-W210 HydrophobicContact CG-CH2 4.13Å; R92-W210 HydrophobicContact CG-CZ2 4.48Å; R92-W210 HydrophobicContact CG-CZ3 3.99Å
93	E	89.1	Confident	79.1	Confident	146 Å²	146	89 Å²	89	68%	0.682	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-90.9	-13.2	-178.8	-61.8	175.7	177.6	0	0	111.5	V89 S90 P91	V89-E93 HydrophobicContact CG1-CB 3.88Å; V89-E93 WeakPolarHBondContact CG1-OE2 3.34Å; S90-E93 PolarHBondContact O-N 3.31Å; P91-E93 VanDerWaalsContact C-N 3.26Å; P91-E93 PolarHBondContact O-N 2.92Å
94	K	90.4	Very high	81.7	Confident	56 Å²	56	85.3 Å²	85.3	24%	0.243	47%	0.474	C	S	.	.			trans	-86.3	118.2	-179.9	-61.3	-175.9	-176	-177.5	0	110.3	D86 V89 P91 Q96	D86-K94 PolarHBondContact O-NZ 2.78Å; V89-K94 HydrophobicContact CG1-CG 4.21Å; V89-K94 VanDerWaalsContact O-CE 3.24Å; V89-K94 WeakPolarHBondContact O-CE 3.39Å; P91-K94 PolarHBondContact O-N 3.41Å; K94-Q96 HydrophobicContact CB-CG 4.28Å; K94-Q96 PolarHBondContact O-N 3.28Å
95	Q	88.6	Confident	84.4	Confident	203 Å²	203	83.1 Å²	83.1	95%	0.949	46%	0.456	S	S	*	.			trans	-75.3	115.5	166.7	-70.3	-172.8	-3.1	0	0	109.7
96	Q	95.1	Very high	87	Confident	31 Å²	31	77.9 Å²	77.9	15%	0.145	42%	0.42	C	S	.	.			trans	-125.3	146.5	179	-65.2	178.3	79.4	0	0	109.7	K94 F105 V107 I110	K94-Q96 HydrophobicContact CB-CG 4.28Å; K94-Q96 PolarHBondContact O-N 3.28Å; Q96-F105 HydrophobicContact CB-CE2 3.79Å; Q96-F105 HydrophobicContact CB-CZ 3.97Å; Q96-V107 PolarHBondContact NE2-O 3.48Å; Q96-I110 HydrophobicContact CB-CG2 4.3Å; Q96-I110 HydrophobicContact CG-CG2 4.48Å
97	T	96.4	Very high	89.4	Confident	88 Å²	88	73.5 Å²	73.5	54%	0.54	40%	0.396	S	S	.	.			trans	-133.3	145.5	172.4	50.8	0	0	0	0	108.9	S102	T97-S102 WeakPolarHBondContact CA-O 3.49Å
98	N	96.5	Very high	91.4	Very high	9 Å²	9	71.3 Å²	71.3	5%	0.048	38%	0.383	C	S	.	.			trans	-82.7	175.1	171.5	67.7	12.1	0	0	0	111.1	K100 G101 S102 F105 A191 E192	N98-K100 PolarHBondContact O-N 3.27Å; N98-K100 WeakPolarHBondContact OD1-CA 3.45Å; N98-K100 PolarHBondContact OD1-N 2.96Å; N98-K100 VanDerWaalsContact OD1-N 3.13Å; N98-G101 PolarHBondContact O-N 2.84Å; N98-G101 PolarHBondContact OD1-N 3.29Å; N98-S102 PolarHBondContact N-O 2.82Å; N98-S102 WeakPolarHBondContact OD1-CB 3.48Å; N98-S102 PolarHBondContact OD1-N 2.89Å; N98-F105 HydrophobicContact CB-CE1 3.96Å; N98-F105 HydrophobicContact CB-CZ 4.47Å; N98-A191 PolarHBondContact ND2-O 3.23Å; N98-E192 WeakPolarHBondContact CA-OE2 3.31Å; N98-E192 VanDerWaalsContact CB-OE2 3.26Å; N98-E192 WeakPolarHBondContact CB-OE2 3.09Å
99	S	95.9	Very high	93	Very high	97 Å²	97	64.5 Å²	64.5	68%	0.678	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.7	179.6	65.3	0	0	0	0	114.7	E192	S99-E192 WeakPolarHBondContact CB-OE1 3.46Å; S99-E192 PolarHBondContact N-OE1 3.19Å; S99-E192 PolarHBondContact N-OE2 2.99Å; S99-E192 PolarHBondContact OG-OE1 3Å
100	K	95.8	Very high	94	Very high	151 Å²	151	62.3 Å²	62.3	66%	0.657	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	4.3	177.8	-59	175.4	-172.4	166.6	0	113	N98 S102 A193	N98-K100 PolarHBondContact O-N 3.27Å; N98-K100 WeakPolarHBondContact OD1-CA 3.45Å; N98-K100 PolarHBondContact OD1-N 2.96Å; N98-K100 VanDerWaalsContact OD1-N 3.13Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 2.99Å; K100-A193 PolarHBondContact NZ-O 3.22Å
101	G	94.9	Very high	94.5	Very high	57 Å²	57	69.5 Å²	69.5	59%	0.588	37%	0.365	S	S	*	.	S	Bend	trans	76	11.6	179.3	0	0	0	0	0	115	N98	N98-G101 PolarHBondContact O-N 2.84Å; N98-G101 PolarHBondContact OD1-N 3.29Å
102	S	93.8	Very high	94.8	Very high	47 Å²	47	72.6 Å²	72.6	33%	0.329	38%	0.379	S	S	.	.			trans	-81.9	141	174.9	-179.9	0	0	0	0	110.7	T97 N98 K100 N104 F105	T97-S102 WeakPolarHBondContact CA-O 3.49Å; N98-S102 PolarHBondContact N-O 2.82Å; N98-S102 WeakPolarHBondContact OD1-CB 3.48Å; N98-S102 PolarHBondContact OD1-N 2.89Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 2.99Å; S102-N104 PolarHBondContact OG-N 3.01Å; S102-F105 VanDerWaalsContact O-CE1 3.28Å; S102-F105 WeakPolarHBondContact O-CE1 3.45Å
103	S	94.3	Very high	95.1	Very high	85 Å²	85	67.9 Å²	67.9	59%	0.594	36%	0.364	S	S	*	.			trans	-116.2	12.2	172.4	56.9	0	0	0	0	112.9	F105	S103-F105 PolarHBondContact O-N 2.93Å
104	N	94.1	Very high	95.5	Very high	62 Å²	62	67.9 Å²	67.9	33%	0.332	36%	0.364	S	S	.	.			trans	-80.6	57.4	-179.1	177.6	41.2	0	0	0	111.7	S102 R173 A196	S102-N104 PolarHBondContact OG-N 3.01Å; N104-R173 PolarHBondContact ND2-NH1 2.82Å; N104-R173 PolarHBondContact OD1-NH1 3.32Å; N104-R173 VanDerWaalsContact OD1-NH1 3.13Å; N104-R173 PolarHBondContact OD1-NH2 3.39Å; N104-A196 WeakPolarHBondContact ND2-CB 3.42Å; N104-A196 VanDerWaalsContact O-CA 3.31Å; N104-A196 WeakPolarHBondContact O-CA 3.32Å; N104-A196 WeakPolarHBondContact O-CB 3.43Å
105	F	96.6	Very high	95.9	Very high	16 Å²	16	69.8 Å²	69.8	7%	0.07	37%	0.373	C	S	.	.			trans	-160.6	164.6	174.3	63.7	-95.9	0	0	0	110	Q96 N98 S102 S103 V107 I110 A191 V197	Q96-F105 HydrophobicContact CB-CE2 3.79Å; Q96-F105 HydrophobicContact CB-CZ 3.97Å; N98-F105 HydrophobicContact CB-CE1 3.96Å; N98-F105 HydrophobicContact CB-CZ 4.47Å; S102-F105 VanDerWaalsContact O-CE1 3.28Å; S102-F105 WeakPolarHBondContact O-CE1 3.45Å; S103-F105 PolarHBondContact O-N 2.93Å; F105-V107 HydrophobicContact CD2-CG1 4.27Å; F105-V107 HydrophobicContact CD2-CG2 3.86Å; F105-V107 HydrophobicContact CE2-CG2 3.92Å; F105-I110 HydrophobicContact CE1-CD1 4.5Å; F105-I110 HydrophobicContact CE2-CB 4.19Å; F105-I110 HydrophobicContact CE2-CD1 3.96Å; F105-I110 HydrophobicContact CE2-CG1 4.22Å; F105-I110 HydrophobicContact CZ-CB 4.25Å; F105-I110 HydrophobicContact CZ-CD1 3.83Å; F105-I110 HydrophobicContact CZ-CG1 3.91Å; F105-A191 HydrophobicContact CB-CB 3.89Å; F105-A191 HydrophobicContact CD1-CB 3.97Å; F105-A191 HydrophobicContact CD2-CB 3.75Å; F105-A191 HydrophobicContact CE1-CB 4.42Å; F105-A191 HydrophobicContact CE2-CB 4.23Å; F105-A191 HydrophobicContact CG-CB 3.61Å; F105-V197 CarbonylContact C-O 3.57Å; F105-V197 VanDerWaalsContact CA-O 3.31Å; F105-V197 WeakPolarHBondContact CA-O 3.2Å; F105-V197 WeakPolarHBondContact CB-O 3.23Å
106	C	97.4	Very high	96.3	Very high	8 Å²	8	60.1 Å²	60.1	5%	0.054	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-143.5	109.9	168.6	-171.3	0	0	0	0	109	V197 F198 A199 W210	C106-V197 PolarHBondContact N-O 3.33Å; C106-F198 HydrophobicContact CB-CD1 3.74Å; C106-F198 HydrophobicContact CB-CE1 4.35Å; C106-F198 WeakPolarHBondContact O-CA 3.22Å; C106-A199 PolarHBondContact O-N 3.4Å; C106-W210 HydrophobicContact CB-CH2 3.92Å; C106-W210 HydrophobicContact CB-CZ3 3.91Å
107	V	97.4	Very high	96.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.			trans	-136.7	161.7	-176.4	-58.2	0	0	0	0	109.7	Q96 F105 N109 A187 A188 A191 V197	Q96-V107 PolarHBondContact NE2-O 3.48Å; F105-V107 HydrophobicContact CD2-CG1 4.27Å; F105-V107 HydrophobicContact CD2-CG2 3.86Å; F105-V107 HydrophobicContact CE2-CG2 3.92Å; V107-N109 PolarHBondContact O-N 2.65Å; V107-A187 HydrophobicContact CB-CB 4.38Å; V107-A187 HydrophobicContact CG1-CB 3.91Å; V107-A188 HydrophobicContact CG2-CB 4.48Å; V107-A191 HydrophobicContact CG1-CB 4.18Å; V107-V197 HydrophobicContact CG1-CG1 4.41Å
108	K	95.8	Very high	96.6	Very high	38 Å²	38	63.7 Å²	63.7	17%	0.165	33%	0.33	C	S	.	.	S	Bend	trans	-56.5	-49.1	-176.1	-172	69.1	174.7	-176.4	0	113.2	D87 P91 N184 W200	D87-K108 WeakPolarHBondContact OD1-CE 3.43Å; D87-K108 IonicContact OD1-NZ 3.22Å; D87-K108 PolarHBondContact OD1-NZ 2.83Å; P91-K108 HydrophobicContact CG-CD 3.99Å; K108-N184 HydrophobicContact CB-CB 4.02Å; K108-W200 HydrophobicContact CB-CB 3.96Å
109	N	95.8	Very high	96.6	Very high	45 Å²	45	66.3 Å²	66.3	24%	0.241	34%	0.341	C	S	.	.			trans	-159.7	109	179.8	-175.6	-4.8	0	0	0	111.5	V107 K111 Q112 A188	V107-N109 PolarHBondContact O-N 2.65Å; N109-K111 PolarHBondContact O-N 3.16Å; N109-K111 VanDerWaalsContact O-N 3.14Å; N109-K111 VanDerWaalsContact OD1-CB 3.3Å; N109-K111 WeakPolarHBondContact OD1-CB 3.38Å; N109-K111 PolarHBondContact OD1-N 3.09Å; N109-Q112 HydrophobicContact CB-CG 4.42Å; N109-Q112 PolarHBondContact O-N 2.88Å; N109-A188 WeakPolarHBondContact O-CB 3.3Å
110	I	97.1	Very high	96.7	Very high	20 Å²	20	61.7 Å²	61.7	10%	0.103	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.8	-24.8	-180	-167.6	60.6	0	0	0	113.4	Q96 F105 Q112 A113 A188 A191 E192	Q96-I110 HydrophobicContact CB-CG2 4.3Å; Q96-I110 HydrophobicContact CG-CG2 4.48Å; F105-I110 HydrophobicContact CE1-CD1 4.5Å; F105-I110 HydrophobicContact CE2-CB 4.19Å; F105-I110 HydrophobicContact CE2-CD1 3.96Å; F105-I110 HydrophobicContact CE2-CG1 4.22Å; F105-I110 HydrophobicContact CZ-CB 4.25Å; F105-I110 HydrophobicContact CZ-CD1 3.83Å; F105-I110 HydrophobicContact CZ-CG1 3.91Å; I110-Q112 PolarHBondContact O-N 3.25Å; I110-Q112 VanDerWaalsContact O-N 3.11Å; I110-A113 VanDerWaalsContact O-CB 3.3Å; I110-A113 WeakPolarHBondContact O-CB 3.43Å; I110-A113 PolarHBondContact O-N 3.09Å; I110-A113 VanDerWaalsContact O-N 3.12Å; I110-A188 WeakPolarHBondContact CD1-O 3.38Å; I110-A191 HydrophobicContact CD1-CB 3.73Å; I110-E192 HydrophobicContact CD1-CB 4.17Å
111	K	96.8	Very high	96.8	Very high	184 Å²	184	59 Å²	59	80%	0.8	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-66.5	-13.6	-180	-60.3	179.1	-179.1	175	0	113.4	N109 A113	N109-K111 PolarHBondContact O-N 3.16Å; N109-K111 VanDerWaalsContact O-N 3.14Å; N109-K111 VanDerWaalsContact OD1-CB 3.3Å; N109-K111 WeakPolarHBondContact OD1-CB 3.38Å; N109-K111 PolarHBondContact OD1-N 3.09Å; K111-A113 VanDerWaalsContact C-N 3.25Å; K111-A113 PolarHBondContact O-N 2.92Å
112	Q	97.3	Very high	96.9	Very high	71 Å²	71	61 Å²	61	33%	0.332	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-82.5	1.3	175.7	-65.1	-173.8	-6.8	0	0	113.5	N109 I110 E114 F115 G116 E185 A188	N109-Q112 HydrophobicContact CB-CG 4.42Å; N109-Q112 PolarHBondContact O-N 2.88Å; I110-Q112 PolarHBondContact O-N 3.25Å; I110-Q112 VanDerWaalsContact O-N 3.11Å; Q112-E114 VanDerWaalsContact C-N 3.3Å; Q112-E114 PolarHBondContact O-N 3.35Å; Q112-F115 PolarHBondContact O-N 2.91Å; Q112-G116 PolarHBondContact O-N 2.63Å; Q112-E185 HydrophobicContact CB-CB 4.05Å; Q112-A188 HydrophobicContact CB-CB 4.34Å
113	A	98.1	Very high	97	Very high	12 Å²	12	58.9 Å²	58.9	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-36.6	-175.4	0	0	0	0	0	114.4	I110 K111 G116 R117 A188 A189 E192	I110-A113 VanDerWaalsContact O-CB 3.3Å; I110-A113 WeakPolarHBondContact O-CB 3.43Å; I110-A113 PolarHBondContact O-N 3.09Å; I110-A113 VanDerWaalsContact O-N 3.12Å; K111-A113 VanDerWaalsContact C-N 3.25Å; K111-A113 PolarHBondContact O-N 2.92Å; A113-G116 PolarHBondContact O-N 3.41Å; A113-R117 WeakPolarHBondContact O-CB 3.31Å; A113-R117 PolarHBondContact O-N 2.86Å; A113-A188 HydrophobicContact CB-CB 4.29Å; A113-A189 WeakPolarHBondContact O-CB 3.29Å; A113-E192 HydrophobicContact CB-CB 3.55Å; A113-E192 HydrophobicContact CB-CG 3.82Å
114	E	98.1	Very high	97.1	Very high	146 Å²	146	57 Å²	57	68%	0.682	26%	0.263	S	S	*	.	H	α-helix	trans	-68.3	-35.8	177.7	-172	-175	170.5	0	0	112.2	Q112 R118	Q112-E114 VanDerWaalsContact C-N 3.3Å; Q112-E114 PolarHBondContact O-N 3.35Å; E114-R118 PolarHBondContact O-N 3.39Å; E114-R118 PolarHBondContact O-NE 3.15Å
115	F	97.7	Very high	97	Very high	96 Å²	96	61.2 Å²	61.2	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-47	173.6	-177.2	-112.8	0	0	0	110.6	Q112 R117 R118 E119 E185	Q112-F115 PolarHBondContact O-N 2.91Å; F115-R117 VanDerWaalsContact C-N 3.29Å; F115-R117 PolarHBondContact O-N 2.81Å; F115-R118 WeakPolarHBondContact O-CB 3.25Å; F115-R118 PolarHBondContact O-N 3.33Å; F115-R118 VanDerWaalsContact O-N 3.14Å; F115-E119 HydrophobicContact CE1-CG 4.42Å; F115-E119 HydrophobicContact CZ-CG 4.44Å; F115-E119 PolarHBondContact O-N 2.72Å; F115-E185 HydrophobicContact CD1-CB 3.58Å; F115-E185 HydrophobicContact CD1-CG 3.57Å; F115-E185 HydrophobicContact CE1-CB 4.28Å; F115-E185 HydrophobicContact CE1-CG 3.77Å
116	G	98.1	Very high	96.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-34.2	175.8	0	0	0	0	0	113.7	Q112 A113 R118 E119 I120 E185	Q112-G116 PolarHBondContact O-N 2.63Å; A113-G116 PolarHBondContact O-N 3.41Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.35Å; G116-E119 PolarHBondContact O-N 3.29Å; G116-I120 VanDerWaalsContact O-CG1 3.28Å; G116-I120 WeakPolarHBondContact O-CG1 3.35Å; G116-I120 PolarHBondContact O-N 3.37Å; G116-E185 WeakPolarHBondContact CA-O 3.23Å
117	R	98.6	Very high	96.8	Very high	64 Å²	64	64.4 Å²	64.4	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-42.6	175.1	178.7	52.9	54.1	-172.6	-4.2	111.5	A113 F115 I120 E121 E163	A113-R117 WeakPolarHBondContact O-CB 3.31Å; A113-R117 PolarHBondContact O-N 2.86Å; F115-R117 VanDerWaalsContact C-N 3.29Å; F115-R117 PolarHBondContact O-N 2.81Å; R117-I120 PolarHBondContact O-N 3.49Å; R117-E121 WeakPolarHBondContact CD-OE1 3.19Å; R117-E121 WeakPolarHBondContact CG-OE1 3.3Å; R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.8Å; R117-E163 IonicContact CZ-OE1 2.8Å; R117-E163 VanDerWaalsContact CZ-OE1 3.23Å; R117-E163 IonicContact NH1-OE1 3.58Å; R117-E163 PolarHBondContact NH1-OE1 3.45Å; R117-E163 IonicContact NH1-OE2 2.73Å; R117-E163 PolarHBondContact NH1-OE2 3.43Å; R117-E163 IonicContact NH2-OE1 3.62Å; R117-E163 PolarHBondContact NH2-OE1 2.9Å
118	R	98.3	Very high	96.6	Very high	129 Å²	129	66 Å²	66	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-40.5	176.4	-71.1	178.8	-76.8	176.9	-4.3	112.1	E114 F115 G116 E121 I122	E114-R118 PolarHBondContact O-N 3.39Å; E114-R118 PolarHBondContact O-NE 3.15Å; F115-R118 WeakPolarHBondContact O-CB 3.25Å; F115-R118 PolarHBondContact O-N 3.33Å; F115-R118 VanDerWaalsContact O-N 3.14Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.35Å; R118-E121 PolarHBondContact O-N 2.86Å; R118-I122 WeakPolarHBondContact O-CG1 3.21Å; R118-I122 PolarHBondContact O-N 2.93Å
119	E	97	Very high	96.5	Very high	64 Å²	64	64.2 Å²	64.2	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-42.6	174.1	-69.5	-64.1	119.6	0	0	112	F115 G116 I122 A123 A156 V186	F115-E119 HydrophobicContact CE1-CG 4.42Å; F115-E119 HydrophobicContact CZ-CG 4.44Å; F115-E119 PolarHBondContact O-N 2.72Å; G116-E119 PolarHBondContact O-N 3.29Å; E119-I122 PolarHBondContact O-N 2.87Å; E119-A123 PolarHBondContact O-N 2.93Å; E119-A156 HydrophobicContact CB-CB 4.26Å; E119-V186 HydrophobicContact CB-CG2 4.22Å
120	I	98	Very high	96.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-47.8	175.5	-64.8	167.7	0	0	0	110.4	G116 R117 I122 A123 E124 A159 V160 V186 A189	G116-I120 VanDerWaalsContact O-CG1 3.28Å; G116-I120 WeakPolarHBondContact O-CG1 3.35Å; G116-I120 PolarHBondContact O-N 3.37Å; R117-I120 PolarHBondContact O-N 3.49Å; I120-I122 VanDerWaalsContact C-N 3.29Å; I120-I122 PolarHBondContact O-N 2.87Å; I120-A123 WeakPolarHBondContact O-CB 3.48Å; I120-A123 PolarHBondContact O-N 2.83Å; I120-E124 HydrophobicContact CG2-CG 4.36Å; I120-E124 WeakPolarHBondContact O-CG 3.45Å; I120-E124 PolarHBondContact O-N 3.37Å; I120-A159 HydrophobicContact CD1-CB 3.63Å; I120-A159 HydrophobicContact CG1-CB 3.7Å; I120-V160 HydrophobicContact CG2-CG2 4.02Å; I120-V186 HydrophobicContact CD1-CG1 4.23Å; I120-V186 HydrophobicContact CG1-CG1 4.19Å; I120-A189 HydrophobicContact CD1-CB 3.71Å
121	E	97.6	Very high	96.4	Very high	96 Å²	96	62.8 Å²	62.8	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-34.3	180	-74.5	169.6	-175.5	0	0	113	R117 R118 Q125	R117-E121 WeakPolarHBondContact CD-OE1 3.19Å; R117-E121 WeakPolarHBondContact CG-OE1 3.3Å; R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.8Å; R118-E121 PolarHBondContact O-N 2.86Å; E121-Q125 WeakPolarHBondContact O-CG 3.25Å
122	I	96.3	Very high	96.2	Very high	97 Å²	97	56 Å²	56	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-47.1	171.8	-68.9	165.1	0	0	0	109.8	R118 E119 I120 E124 Q125	R118-I122 WeakPolarHBondContact O-CG1 3.21Å; R118-I122 PolarHBondContact O-N 2.93Å; E119-I122 PolarHBondContact O-N 2.87Å; I120-I122 VanDerWaalsContact C-N 3.29Å; I120-I122 PolarHBondContact O-N 2.87Å; I122-E124 VanDerWaalsContact C-N 3.29Å; I122-E124 PolarHBondContact O-N 2.95Å; I122-Q125 WeakPolarHBondContact O-CB 3.5Å; I122-Q125 PolarHBondContact O-N 3.48Å
123	A	96.5	Very high	95.9	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-37.9	179	0	0	0	0	0	112.2	E119 I120 Q125 D126 M127 A156 V160 T452	E119-A123 PolarHBondContact O-N 2.93Å; I120-A123 WeakPolarHBondContact O-CB 3.48Å; I120-A123 PolarHBondContact O-N 2.83Å; A123-Q125 PolarHBondContact O-N 2.89Å; A123-D126 PolarHBondContact O-N 3.48Å; A123-D126 VanDerWaalsContact O-N 3.13Å; A123-M127 HydrophobicContact CB-SD 4.47Å; A123-M127 VanDerWaalsContact O-CG 3.27Å; A123-M127 WeakPolarHBondContact O-CG 3.46Å; A123-M127 PolarHBondContact O-N 3.11Å; A123-A156 HydrophobicContact CB-CB 3.89Å; A123-V160 HydrophobicContact CB-CG2 4.06Å; A123-T452 HydrophobicContact CB-CG2 4.09Å; A123-T452 WeakPolarHBondContact O-CG2 3.48Å
124	E	96.3	Very high	95.6	Very high	47 Å²	47	54.7 Å²	54.7	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-31.5	178.2	-73.7	-168.9	155.7	0	0	113.7	I120 I122 D126 M127 I131 R134 V160	I120-E124 HydrophobicContact CG2-CG 4.36Å; I120-E124 WeakPolarHBondContact O-CG 3.45Å; I120-E124 PolarHBondContact O-N 3.37Å; I122-E124 VanDerWaalsContact C-N 3.29Å; I122-E124 PolarHBondContact O-N 2.95Å; E124-D126 VanDerWaalsContact C-N 3.27Å; E124-D126 PolarHBondContact O-N 3.02Å; E124-M127 PolarHBondContact O-N 3.1Å; E124-I131 HydrophobicContact CB-CD1 4.06Å; E124-I131 HydrophobicContact CG-CD1 4Å; E124-R134 IonicContact OE1-CZ 3.69Å; E124-R134 VanDerWaalsContact OE1-CZ 3.31Å; E124-R134 IonicContact OE1-NH1 2.86Å; E124-R134 PolarHBondContact OE1-NH1 2.84Å; E124-R134 IonicContact OE1-NH2 3.88Å; E124-R134 PolarHBondContact OE1-NH2 2.8Å; E124-V160 HydrophobicContact CG-CB 4.49Å; E124-V160 HydrophobicContact CG-CG1 4.11Å; E124-V160 HydrophobicContact CG-CG2 3.57Å
125	Q	93.4	Very high	95.3	Very high	150 Å²	150	54.2 Å²	54.2	70%	0.701	26%	0.255	S	S	*	.	H	α-helix	trans	-64.3	-34.3	-179.9	-64.8	173.7	26.1	0	0	111.9	E121 I122 A123	E121-Q125 WeakPolarHBondContact O-CG 3.25Å; I122-Q125 WeakPolarHBondContact O-CB 3.5Å; I122-Q125 PolarHBondContact O-N 3.48Å; A123-Q125 PolarHBondContact O-N 2.89Å
126	D	92.9	Very high	94.6	Very high	90 Å²	90	53.5 Å²	53.5	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-95.8	-2.6	-179.7	-78.7	-6.1	0	0	0	113.3	A123 E124 T452	A123-D126 PolarHBondContact O-N 3.48Å; A123-D126 VanDerWaalsContact O-N 3.13Å; E124-D126 VanDerWaalsContact C-N 3.27Å; E124-D126 PolarHBondContact O-N 3.02Å; D126-T452 HydrophobicContact CB-CG2 3.57Å
127	M	96.8	Very high	93.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.252	C	S	.	.			trans	-109.3	44.3	179.8	-60	-177	87.7	0	0	112.4	A123 E124 A129 L130 I131 Q157 V160 T452 S456 A459	A123-M127 HydrophobicContact CB-SD 4.47Å; A123-M127 VanDerWaalsContact O-CG 3.27Å; A123-M127 WeakPolarHBondContact O-CG 3.46Å; A123-M127 PolarHBondContact O-N 3.11Å; E124-M127 PolarHBondContact O-N 3.1Å; M127-A129 PolarHBondContact O-N 3.49Å; M127-A129 VanDerWaalsContact O-N 3.08Å; M127-L130 HydrophobicContact CB-CD1 4.49Å; M127-L130 HydrophobicContact CE-CD1 3.5Å; M127-L130 VanDerWaalsContact CE-CD1 3.5Å; M127-L130 PolarHBondContact O-N 2.86Å; M127-L130 VanDerWaalsContact O-N 3.09Å; M127-L130 HydrophobicContact SD-CD1 4.41Å; M127-I131 PolarHBondContact O-N 3.38Å; M127-Q157 HydrophobicContact CE-CB 3.96Å; M127-Q157 HydrophobicContact SD-CB 3.93Å; M127-Q157 HydrophobicContact SD-CG 4.13Å; M127-V160 HydrophobicContact CB-CG1 4.13Å; M127-V160 HydrophobicContact CE-CB 4.35Å; M127-V160 HydrophobicContact CE-CG1 4.47Å; M127-V160 HydrophobicContact SD-CB 3.59Å; M127-V160 VanDerWaalsContact SD-CB 3.59Å; M127-V160 HydrophobicContact SD-CG1 3.78Å; M127-V160 HydrophobicContact SD-CG2 3.82Å; M127-T452 HydrophobicContact CG-CG2 3.48Å; M127-T452 VanDerWaalsContact CG-CG2 3.48Å; M127-T452 HydrophobicContact SD-CG2 4.02Å; M127-S456 WeakPolarHBondContact CA-OG 3.48Å; M127-A459 HydrophobicContact CE-CB 3.96Å
128	S	91.4	Very high	92.7	Very high	35 Å²	35	59.1 Å²	59.1	25%	0.245	28%	0.279	C	S	.	.	H	α-helix	trans	-55.5	-29.2	-172.9	65	0	0	0	0	114.5	I131 S132 S499	S128-I131 PolarHBondContact O-N 3.28Å; S128-S132 WeakPolarHBondContact O-CB 3.49Å; S128-S132 PolarHBondContact O-N 3.26Å; S128-S132 PolarHBondContact O-OG 3.02Å; S128-S499 PolarHBondContact OG-OG 2.97Å
129	A	94.9	Very high	91.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-48	176.5	0	0	0	0	0	112.2	M127 I131 S132 L133 T460 L495 H496	M127-A129 PolarHBondContact O-N 3.49Å; M127-A129 VanDerWaalsContact O-N 3.08Å; A129-I131 VanDerWaalsContact C-N 3.35Å; A129-I131 PolarHBondContact O-N 2.97Å; A129-S132 WeakPolarHBondContact O-CB 3.33Å; A129-S132 PolarHBondContact O-N 3.04Å; A129-L133 PolarHBondContact O-N 2.93Å; A129-T460 HydrophobicContact CB-CG2 4.23Å; A129-L495 HydrophobicContact CB-CB 3.7Å; A129-L495 HydrophobicContact CB-CD1 4.47Å; A129-H496 WeakPolarHBondContact CB-CE1 3.41Å; A129-H496 WeakPolarHBondContact CB-NE2 3.4Å
130	L	95.9	Very high	91	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-41.3	175.4	-72	179.4	0	0	0	111.3	M127 S132 L133 R134 V160 L161 T164 A459 A463	M127-L130 HydrophobicContact CB-CD1 4.49Å; M127-L130 HydrophobicContact CE-CD1 3.5Å; M127-L130 VanDerWaalsContact CE-CD1 3.5Å; M127-L130 PolarHBondContact O-N 2.86Å; M127-L130 VanDerWaalsContact O-N 3.09Å; M127-L130 HydrophobicContact SD-CD1 4.41Å; L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.3Å; L130-L133 HydrophobicContact CD2-CD1 4.34Å; L130-L133 WeakPolarHBondContact O-CB 3.37Å; L130-L133 PolarHBondContact O-N 2.9Å; L130-L133 VanDerWaalsContact O-N 3.11Å; L130-R134 WeakPolarHBondContact O-CG 3.32Å; L130-R134 PolarHBondContact O-N 2.87Å; L130-V160 HydrophobicContact CB-CG1 4.29Å; L130-V160 HydrophobicContact CD1-CB 4.43Å; L130-V160 HydrophobicContact CD1-CG1 3.76Å; L130-L161 HydrophobicContact CD2-CD1 4.47Å; L130-T164 HydrophobicContact CB-CG2 4.39Å; L130-T164 HydrophobicContact CD2-CG2 4.04Å; L130-A459 HydrophobicContact CD1-CB 3.84Å; L130-A463 HydrophobicContact CD2-CB 4.3Å
131	I	94.8	Very high	90.8	Very high	34 Å²	34	64.1 Å²	64.1	17%	0.174	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-37.7	175.7	-56.9	-51.3	0	0	0	111.1	E124 M127 S128 A129 R134 K135 V160	E124-I131 HydrophobicContact CB-CD1 4.06Å; E124-I131 HydrophobicContact CG-CD1 4Å; M127-I131 PolarHBondContact O-N 3.38Å; S128-I131 PolarHBondContact O-N 3.28Å; A129-I131 VanDerWaalsContact C-N 3.35Å; A129-I131 PolarHBondContact O-N 2.97Å; I131-R134 WeakPolarHBondContact O-CB 3.39Å; I131-R134 PolarHBondContact O-N 2.79Å; I131-K135 WeakPolarHBondContact O-CG 3.45Å; I131-K135 PolarHBondContact O-N 3.46Å; I131-V160 HydrophobicContact CD1-CG1 4.49Å
132	S	91.9	Very high	90.7	Very high	41 Å²	41	60.4 Å²	60.4	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-40.4	174	-61.6	0	0	0	0	111.8	S128 A129 L130 K135 R136	S128-S132 WeakPolarHBondContact O-CB 3.49Å; S128-S132 PolarHBondContact O-N 3.26Å; S128-S132 PolarHBondContact O-OG 3.02Å; A129-S132 WeakPolarHBondContact O-CB 3.33Å; A129-S132 PolarHBondContact O-N 3.04Å; L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.3Å; S132-K135 PolarHBondContact O-N 3.32Å; S132-R136 WeakPolarHBondContact O-CG 3.31Å; S132-R136 PolarHBondContact O-N 3.48Å; S132-R136 VanDerWaalsContact O-N 3.09Å
133	L	91.1	Very high	90.8	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-43.8	172.1	-67	179.7	0	0	0	111.7	A129 L130 K135 R136 A137 T164 T460 A463 L464 L495	A129-L133 PolarHBondContact O-N 2.93Å; L130-L133 HydrophobicContact CD2-CD1 4.34Å; L130-L133 WeakPolarHBondContact O-CB 3.37Å; L130-L133 PolarHBondContact O-N 2.9Å; L130-L133 VanDerWaalsContact O-N 3.11Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 3.49Å; L133-R136 PolarHBondContact O-N 2.74Å; L133-A137 WeakPolarHBondContact O-CB 3.31Å; L133-A137 PolarHBondContact O-N 2.82Å; L133-T164 HydrophobicContact CB-CG2 4.39Å; L133-T460 HydrophobicContact CD1-CG2 4.04Å; L133-A463 HydrophobicContact CD1-CB 4.46Å; L133-L464 HydrophobicContact CD1-CD2 4.34Å; L133-L464 HydrophobicContact CD2-CD2 4.29Å; L133-L495 HydrophobicContact CD2-CD1 4.35Å
134	R	92.7	Very high	90.8	Very high	44 Å²	44	58.3 Å²	58.3	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-43.8	175.5	-67.2	-176.6	-170.7	-171.7	6	112.1	E124 L130 I131 A137 V160 E163 T164 A167	E124-R134 IonicContact OE1-CZ 3.69Å; E124-R134 VanDerWaalsContact OE1-CZ 3.31Å; E124-R134 IonicContact OE1-NH1 2.86Å; E124-R134 PolarHBondContact OE1-NH1 2.84Å; E124-R134 IonicContact OE1-NH2 3.88Å; E124-R134 PolarHBondContact OE1-NH2 2.8Å; L130-R134 WeakPolarHBondContact O-CG 3.32Å; L130-R134 PolarHBondContact O-N 2.87Å; I131-R134 WeakPolarHBondContact O-CB 3.39Å; I131-R134 PolarHBondContact O-N 2.79Å; R134-A137 WeakPolarHBondContact O-CB 3.48Å; R134-A137 PolarHBondContact O-N 2.81Å; R134-V160 PolarHBondContact NH2-O 2.91Å; R134-E163 IonicContact NH1-OE2 2.9Å; R134-E163 VanDerWaalsContact NH2-CB 3.32Å; R134-E163 IonicContact NH2-OE2 2.86Å; R134-T164 HydrophobicContact CG-CG2 3.79Å; R134-T164 PolarHBondContact NE-OG1 2.75Å; R134-A167 HydrophobicContact CB-CB 4.48Å; R134-A167 HydrophobicContact CG-CB 4.09Å
135	K	90.3	Very high	90.8	Very high	136 Å²	136	58.1 Å²	58.1	59%	0.591	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-44.5	178.5	-74	173.3	-178.9	174	0	111.5	I131 S132 L133 A137 Q138	I131-K135 WeakPolarHBondContact O-CG 3.45Å; I131-K135 PolarHBondContact O-N 3.46Å; S132-K135 PolarHBondContact O-N 3.32Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 3.49Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 2.9Å; K135-Q138 WeakPolarHBondContact O-CB 3.41Å; K135-Q138 WeakPolarHBondContact O-CG 3.18Å; K135-Q138 PolarHBondContact O-N 2.6Å
136	R	83.2	Confident	91	Very high	81 Å²	81	51 Å²	51	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-65.1	-33.5	175.8	-65.7	-175.8	-161.7	-160.6	18.4	112.4	D47 S132 L133 Q138 G139 Y491	D47-R136 IonicContact OD2-NH1 3.23Å; D47-R136 PolarHBondContact OD2-NH1 2.85Å; S132-R136 WeakPolarHBondContact O-CG 3.31Å; S132-R136 PolarHBondContact O-N 3.48Å; S132-R136 VanDerWaalsContact O-N 3.09Å; L133-R136 PolarHBondContact O-N 2.74Å; R136-Q138 PolarHBondContact O-N 3.38Å; R136-Q138 VanDerWaalsContact O-N 3.14Å; R136-G139 PolarHBondContact O-N 2.9Å; R136-Y491 PolarHBondContact NH1-OH 3.28Å; R136-Y491 PolarHBondContact NH2-OH 3.25Å; R136-Y491 VanDerWaalsContact NH2-OH 3.09Å
137	A	80.3	Confident	91.2	Very high	7 Å²	7	49.3 Å²	49.3	6%	0.058	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.6	179.2	0	0	0	0	0	114.7	L133 R134 K135 G139 E140 L168	L133-A137 WeakPolarHBondContact O-CB 3.31Å; L133-A137 PolarHBondContact O-N 2.82Å; R134-A137 WeakPolarHBondContact O-CB 3.48Å; R134-A137 PolarHBondContact O-N 2.81Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 2.9Å; A137-G139 PolarHBondContact O-N 2.78Å; A137-E140 CarbonylContact C-O 3.52Å; A137-E140 WeakPolarHBondContact CA-O 3.25Å; A137-E140 CarbonylContact O-C 3.53Å; A137-E140 PolarHBondContact O-N 2.76Å; A137-L168 HydrophobicContact CB-CD2 3.58Å; A137-L168 HydrophobicContact CB-CG 4.29Å
138	Q	76.6	Confident	91.3	Very high	174 Å²	174	49.3 Å²	49.3	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.4	177.4	-66.6	-176.6	-5.1	0	0	112.5	K135 R136	K135-Q138 WeakPolarHBondContact O-CB 3.41Å; K135-Q138 WeakPolarHBondContact O-CG 3.18Å; K135-Q138 PolarHBondContact O-N 2.6Å; R136-Q138 PolarHBondContact O-N 3.38Å; R136-Q138 VanDerWaalsContact O-N 3.14Å
139	G	76.4	Confident	91.6	Very high	73 Å²	73	47.7 Å²	47.7	75%	0.753	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-33.1	174.7	0	0	0	0	0	114.4	R136 A137	R136-G139 PolarHBondContact O-N 2.9Å; A137-G139 PolarHBondContact O-N 2.78Å
140	E	84.5	Confident	91.8	Very high	84 Å²	84	47.7 Å²	47.7	39%	0.393	26%	0.261	S	S	.	.			trans	-135.1	129.7	-173.8	-62.7	-171.9	170.3	0	0	110.5	I42 A137 P142	I42-E140 WeakPolarHBondContact CG1-OE2 3.48Å; A137-E140 CarbonylContact C-O 3.52Å; A137-E140 WeakPolarHBondContact CA-O 3.25Å; A137-E140 CarbonylContact O-C 3.53Å; A137-E140 PolarHBondContact O-N 2.76Å; E140-P142 VanDerWaalsContact C-CD 3.49Å; E140-P142 WeakPolarHBondContact O-CD 3.26Å
141	K	93.9	Very high	91.9	Very high	141 Å²	141	47.7 Å²	47.7	61%	0.613	26%	0.261	S	S	*	.			trans	-103.8	80.8	178.6	-67.7	-170.5	177.9	-172.3	0	110.3	L143 A144 L168	K141-L143 PolarHBondContact O-N 3.24Å; K141-L143 VanDerWaalsContact O-N 3.13Å; K141-A144 HydrophobicContact CB-CB 4.02Å; K141-A144 VanDerWaalsContact O-CB 3.24Å; K141-A144 WeakPolarHBondContact O-CB 3.36Å; K141-A144 PolarHBondContact O-N 3.46Å; K141-L168 CarbonylContact C-O 3.6Å; K141-L168 VanDerWaalsContact CA-O 3.27Å; K141-L168 WeakPolarHBondContact CA-O 3.38Å
142	P	95.3	Very high	91.9	Very high	18 Å²	18	46.2 Å²	46.2	12%	0.117	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16	-171.4	27.9	-37.3	0	0	0	113.8	I42 E140 L168 I467 N471	I42-P142 HydrophobicContact CD1-CB 4.02Å; E140-P142 VanDerWaalsContact C-CD 3.49Å; E140-P142 WeakPolarHBondContact O-CD 3.26Å; P142-L168 WeakPolarHBondContact CD-O 3.47Å; P142-L168 HydrophobicContact CG-CB 4.27Å; P142-L168 HydrophobicContact CG-CD2 3.58Å; P142-L168 HydrophobicContact CG-CG 4.49Å; P142-I467 HydrophobicContact CB-CG1 4.36Å; P142-I467 HydrophobicContact CB-CG2 4.18Å; P142-I467 HydrophobicContact CG-CD1 4.13Å; P142-I467 HydrophobicContact CG-CG1 4.2Å; P142-N471 PolarHBondContact O-ND2 3.46Å; P142-N471 PolarHBondContact O-OD1 3.17Å
143	L	97.4	Very high	92	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	17.5	176.1	-63	178.3	0	0	0	112.1	K141 G145 A146 I148 L165 L168 G169 A170 I467 Y470	K141-L143 PolarHBondContact O-N 3.24Å; K141-L143 VanDerWaalsContact O-N 3.13Å; L143-G145 PolarHBondContact O-N 2.87Å; L143-G145 VanDerWaalsContact O-N 3.1Å; L143-A146 HydrophobicContact CB-CB 4.06Å; L143-A146 HydrophobicContact CD2-CB 4.45Å; L143-A146 WeakPolarHBondContact O-CB 3.38Å; L143-A146 PolarHBondContact O-N 3.38Å; L143-I148 HydrophobicContact CD1-CD1 4.25Å; L143-L165 HydrophobicContact CD1-CD2 3.67Å; L143-L168 HydrophobicContact CB-CB 4.21Å; L143-L168 HydrophobicContact CD1-CB 3.92Å; L143-L168 HydrophobicContact CD1-CD1 4.11Å; L143-L168 HydrophobicContact CG-CB 4.14Å; L143-L168 PolarHBondContact N-O 3.48Å; L143-G169 CarbonylContact O-C 3.43Å; L143-G169 VanDerWaalsContact O-C 3.28Å; L143-G169 VanDerWaalsContact O-O 3.14Å; L143-A170 HydrophobicContact CB-CB 3.94Å; L143-A170 HydrophobicContact CD1-CB 4.29Å; L143-A170 PolarHBondContact O-N 2.98Å; L143-I467 HydrophobicContact CD1-CG1 4.22Å; L143-I467 HydrophobicContact CD2-CG1 3.92Å; L143-I467 HydrophobicContact CG-CG1 3.93Å; L143-Y470 HydrophobicContact CD2-CD1 4.14Å; L143-Y470 HydrophobicContact CD2-CG 4.23Å
144	A	96.7	Very high	92.2	Very high	55 Å²	55	44.9 Å²	44.9	46%	0.455	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	118.9	175.8	0	0	0	0	0	111.2	K141 Y470	K141-A144 HydrophobicContact CB-CB 4.02Å; K141-A144 VanDerWaalsContact O-CB 3.24Å; K141-A144 WeakPolarHBondContact O-CB 3.36Å; K141-A144 PolarHBondContact O-N 3.46Å; A144-Y470 PolarHBondContact O-OH 3.3Å
145	G	95.5	Very high	92.4	Very high	43 Å²	43	43.2 Å²	43.2	44%	0.443	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-5	-177.6	0	0	0	0	0	115	L143 K147 N224 Y470	L143-G145 PolarHBondContact O-N 2.87Å; L143-G145 VanDerWaalsContact O-N 3.1Å; G145-K147 PolarHBondContact O-N 3.15Å; G145-N224 PolarHBondContact O-ND2 2.95Å; G145-Y470 WeakPolarHBondContact CA-OH 3.49Å
146	A	97.8	Very high	92.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.			trans	-66.9	133.1	170.4	0	0	0	0	0	109.5	L143 I148 A170 Q171 Y470	L143-A146 HydrophobicContact CB-CB 4.06Å; L143-A146 HydrophobicContact CD2-CB 4.45Å; L143-A146 WeakPolarHBondContact O-CB 3.38Å; L143-A146 PolarHBondContact O-N 3.38Å; A146-I148 HydrophobicContact CB-CD1 4.4Å; A146-I148 HydrophobicContact CB-CG1 4.13Å; A146-A170 HydrophobicContact CB-CB 4.11Å; A146-A170 WeakPolarHBondContact O-CA 3.32Å; A146-Q171 PolarHBondContact O-N 3.06Å; A146-Y470 HydrophobicContact CB-CD1 4.5Å; A146-Y470 HydrophobicContact CB-CD2 3.96Å; A146-Y470 HydrophobicContact CB-CE1 4.33Å; A146-Y470 HydrophobicContact CB-CE2 3.79Å; A146-Y470 HydrophobicContact CB-CG 4.32Å; A146-Y470 PolarHBondContact N-OH 3.14Å
147	K	97.6	Very high	93.3	Very high	56 Å²	56	34 Å²	34	24%	0.243	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	89.9	174.9	-69.4	-177.5	178.4	-175.2	0	106.7	G145 Q171 W221 Q222 N224 M225	G145-K147 PolarHBondContact O-N 3.15Å; K147-Q171 CarbonylContact C-O 3.58Å; K147-Q171 WeakPolarHBondContact CA-O 3.36Å; K147-W221 HydrophobicContact CB-CZ2 3.87Å; K147-Q222 WeakPolarHBondContact CD-O 3.45Å; K147-N224 PolarHBondContact N-OD1 3.22Å; K147-N224 PolarHBondContact O-N 3.5Å; K147-N224 PolarHBondContact O-OD1 3.23Å; K147-M225 PolarHBondContact O-N 3.27Å
148	I	98.4	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.6	-171.5	-55.6	174.4	0	0	0	108.5	L143 A146 L165 A170 Q171 C172 R173 W174 M225 L227 L466	L143-I148 HydrophobicContact CD1-CD1 4.25Å; A146-I148 HydrophobicContact CB-CD1 4.4Å; A146-I148 HydrophobicContact CB-CG1 4.13Å; I148-L165 HydrophobicContact CD1-CB 4.38Å; I148-L165 HydrophobicContact CD1-CD1 4.13Å; I148-L165 HydrophobicContact CD1-CD2 4.38Å; I148-A170 HydrophobicContact CD1-CB 3.57Å; I148-A170 HydrophobicContact CG1-CB 4.15Å; I148-Q171 PolarHBondContact N-O 3.28Å; I148-C172 WeakPolarHBondContact O-CA 3.23Å; I148-R173 PolarHBondContact O-N 3.35Å; I148-W174 HydrophobicContact CG2-CZ3 4.32Å; I148-M225 HydrophobicContact CB-CB 4.47Å; I148-M225 HydrophobicContact CG1-CB 3.91Å; I148-L227 HydrophobicContact CG2-CB 4.35Å; I148-L466 HydrophobicContact CD1-CD1 4.17Å; I148-L466 HydrophobicContact CD1-CD2 4.47Å
149	V	98.3	Very high	95.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125	159.2	-170	0	0	0	0	108	R173 C215 W221 A223 M225 I226 L227 L233	V149-R173 WeakPolarHBondContact CA-O 3.46Å; V149-C215 HydrophobicContact CG1-CB 3.58Å; V149-C215 WeakPolarHBondContact CG2-O 3.37Å; V149-W221 HydrophobicContact CG2-CH2 3.35Å; V149-W221 HydrophobicContact CG2-CZ3 3.79Å; V149-A223 HydrophobicContact CG2-CB 3.52Å; V149-M225 PolarHBondContact N-O 3.34Å; V149-I226 WeakPolarHBondContact O-CA 3.28Å; V149-L227 PolarHBondContact O-N 2.84Å; V149-L233 HydrophobicContact CB-CD1 4.3Å; V149-L233 HydrophobicContact CB-CD2 3.87Å; V149-L233 HydrophobicContact CG1-CD1 3.62Å; V149-L233 HydrophobicContact CG1-CD2 3.54Å; V149-L233 HydrophobicContact CG1-CG 4.24Å
150	G	98.3	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.4	170.5	0	0	0	0	0	111.7	R173 W174 S175 L227	G150-R173 PolarHBondContact N-O 2.93Å; G150-W174 WeakPolarHBondContact O-CA 3.34Å; G150-S175 PolarHBondContact O-N 3.02Å; G150-L227 CarbonylContact C-O 3.54Å; G150-L227 VanDerWaalsContact CA-O 3.28Å; G150-L227 WeakPolarHBondContact CA-O 3.16Å
151	C	98.1	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	94.7	166.1	-176.8	0	0	0	0	108	S175 A176 L227 D229 L233	C151-S175 WeakPolarHBondContact CA-O 3.19Å; C151-A176 PolarHBondContact SG-O 3.41Å; C151-L227 PolarHBondContact N-O 2.87Å; C151-D229 PolarHBondContact O-N 3.45Å; C151-L233 HydrophobicContact CB-CB 3.43Å; C151-L233 VanDerWaalsContact CB-CB 3.43Å; C151-L233 HydrophobicContact CB-CD2 3.69Å; C151-L233 HydrophobicContact CB-CG 4.15Å
152	T	96.6	Very high	97.1	Very high	3 Å²	3	12 Å²	12	2%	0.018	8%	0.08	C	C	.	.	S	Bend	trans	-145.2	173.1	-177.4	67.8	0	0	0	0	109.1	I154 T158 W174 S175 A176 C177 L227 D229	T152-I154 PolarHBondContact O-N 3.49Å; T152-T158 VanDerWaalsContact OG1-CG2 3.28Å; T152-T158 WeakPolarHBondContact OG1-CG2 3.39Å; T152-W174 HydrophobicContact CG2-CZ2 4.42Å; T152-W174 PolarHBondContact OG1-NE1 3.07Å; T152-S175 PolarHBondContact N-O 3.13Å; T152-A176 VanDerWaalsContact O-CA 3.28Å; T152-A176 WeakPolarHBondContact O-CA 3.42Å; T152-C177 PolarHBondContact O-N 3.4Å; T152-L227 HydrophobicContact CG2-CD2 4.43Å; T152-L227 HydrophobicContact CG2-CG 4.3Å; T152-D229 HydrophobicContact CG2-CB 4.05Å
153	H	93.9	Very high	97.2	Very high	27 Å²	27	12.6 Å²	12.6	13%	0.125	8%	0.082	C	C	.	.			trans	-58.7	132.6	172	-61.1	-62.1	0	0	0	110.9	T155 T158 C177 S181 D229 L445	H153-T155 HydrophobicContact CB-CG2 4.35Å; H153-T155 PolarHBondContact O-N 3.11Å; H153-T158 WeakPolarHBondContact O-CB 3.17Å; H153-T158 WeakPolarHBondContact O-CG2 3.25Å; H153-T158 PolarHBondContact O-OG1 3.32Å; H153-C177 PolarHBondContact CE1-SG 2.88Å; H153-C177 PolarHBondContact N-SG 2.75Å; H153-C177 PolarHBondContact ND1-SG 3.34Å; H153-C177 VanDerWaalsContact ND1-SG 3.38Å; H153-S181 WeakPolarHBondContact ND1-CB 3.42Å; H153-S181 PolarHBondContact ND1-OG 3.44Å; H153-D229 IonicContact CD2-OD2 3.31Å; H153-D229 PolarHBondContact CD2-OD2 3.2Å; H153-D229 VanDerWaalsContact CD2-OD2 3.22Å; H153-D229 IonicContact NE2-OD2 3.46Å; H153-D229 PolarHBondContact NE2-OD2 3.03Å; H153-L445 WeakPolarHBondContact CD2-CD1 3.31Å; H153-L445 WeakPolarHBondContact CE1-CD1 3.31Å; H153-L445 WeakPolarHBondContact NE2-CD1 3.45Å
154	I	95.5	Very high	97.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.			trans	-93.9	92.9	178.5	-55.5	-162.3	0	0	0	109.9	T152 A176 T182 Q183 A187 L190 V197 A199	T152-I154 PolarHBondContact O-N 3.49Å; I154-A176 HydrophobicContact CG1-CB 4.3Å; I154-T182 HydrophobicContact CB-CG2 4.13Å; I154-T182 HydrophobicContact CG2-CG2 4.36Å; I154-T182 CarbonylContact O-C 3.44Å; I154-T182 WeakPolarHBondContact O-CA 3.43Å; I154-Q183 PolarHBondContact O-N 3.15Å; I154-A187 HydrophobicContact CG2-CB 4.16Å; I154-L190 HydrophobicContact CG2-CD1 4.33Å; I154-V197 HydrophobicContact CD1-CG1 3.61Å; I154-A199 HydrophobicContact CD1-CB 3.4Å; I154-A199 HydrophobicContact CG1-CB 4.33Å
155	T	95.2	Very high	97.3	Very high	9 Å²	9	10 Å²	10	6%	0.055	6%	0.06	C	C	.	.	S	Bend	trans	-124.8	170.5	177	70.4	0	0	0	0	110.8	H153 Q157 T158 A159	H153-T155 HydrophobicContact CB-CG2 4.35Å; H153-T155 PolarHBondContact O-N 3.11Å; T155-Q157 VanDerWaalsContact CB-OE1 3.24Å; T155-Q157 PolarHBondContact O-N 2.98Å; T155-Q157 PolarHBondContact OG1-N 3.35Å; T155-Q157 PolarHBondContact OG1-OE1 3.22Å; T155-T158 PolarHBondContact O-N 3.2Å; T155-T158 VanDerWaalsContact O-N 3.12Å; T155-T158 PolarHBondContact OG1-N 3.4Å; T155-A159 PolarHBondContact O-N 3.04Å
156	A	96.6	Very high	97.4	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-51.7	-39.9	174.9	0	0	0	0	0	112.2	E119 A123 A159 V160 V186	E119-A156 HydrophobicContact CB-CB 4.26Å; A123-A156 HydrophobicContact CB-CB 3.89Å; A156-A159 WeakPolarHBondContact O-CB 3.48Å; A156-A159 PolarHBondContact O-N 2.99Å; A156-V160 WeakPolarHBondContact O-CG2 3.36Å; A156-V160 PolarHBondContact O-N 2.81Å; A156-V186 HydrophobicContact CB-CG2 4.16Å
157	Q	96.4	Very high	97.3	Very high	19 Å²	19	12.1 Å²	12.1	9%	0.089	7%	0.07	C	C	.	.	H	α-helix	trans	-66.3	-43.3	178.8	-58.2	82.1	9.7	0	0	112.2	M127 T155 A159 V160 L161 T452 L455	M127-Q157 HydrophobicContact CE-CB 3.96Å; M127-Q157 HydrophobicContact SD-CB 3.93Å; M127-Q157 HydrophobicContact SD-CG 4.13Å; T155-Q157 VanDerWaalsContact CB-OE1 3.24Å; T155-Q157 PolarHBondContact O-N 2.98Å; T155-Q157 PolarHBondContact OG1-N 3.35Å; T155-Q157 PolarHBondContact OG1-OE1 3.22Å; Q157-A159 VanDerWaalsContact C-N 3.29Å; Q157-A159 PolarHBondContact O-N 3.39Å; Q157-V160 WeakPolarHBondContact O-CB 3.33Å; Q157-V160 PolarHBondContact O-N 2.71Å; Q157-L161 PolarHBondContact O-N 3.24Å; Q157-L161 VanDerWaalsContact O-N 3.07Å; Q157-T452 HydrophobicContact CG-CG2 3.95Å; Q157-T452 PolarHBondContact NE2-OG1 2.9Å; Q157-L455 HydrophobicContact CB-CB 3.99Å; Q157-L455 HydrophobicContact CB-CD1 3.69Å; Q157-L455 HydrophobicContact CG-CB 4.03Å; Q157-L455 HydrophobicContact CG-CD1 3.73Å; Q157-L455 HydrophobicContact CG-CG 4.45Å
158	T	96.9	Very high	97.3	Very high	17 Å²	17	9.8 Å²	9.8	10%	0.104	6%	0.06	C	C	.	.	H	α-helix	trans	-63.4	-37.7	173.5	-58	0	0	0	0	111.2	T152 H153 T155 V160 L161 I162 W174	T152-T158 VanDerWaalsContact OG1-CG2 3.28Å; T152-T158 WeakPolarHBondContact OG1-CG2 3.39Å; H153-T158 WeakPolarHBondContact O-CB 3.17Å; H153-T158 WeakPolarHBondContact O-CG2 3.25Å; H153-T158 PolarHBondContact O-OG1 3.32Å; T155-T158 PolarHBondContact O-N 3.2Å; T155-T158 VanDerWaalsContact O-N 3.12Å; T155-T158 PolarHBondContact OG1-N 3.4Å; T158-V160 VanDerWaalsContact C-N 3.31Å; T158-V160 PolarHBondContact O-N 2.79Å; T158-L161 WeakPolarHBondContact O-CA 3.49Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 3.19Å; T158-L161 VanDerWaalsContact O-N 3.12Å; T158-I162 HydrophobicContact CG2-CD1 3.92Å; T158-I162 HydrophobicContact CG2-CG1 4.25Å; T158-I162 VanDerWaalsContact O-CG1 3.26Å; T158-I162 WeakPolarHBondContact O-CG1 3.36Å; T158-I162 PolarHBondContact O-N 2.92Å; T158-W174 HydrophobicContact CG2-CZ2 4.21Å
159	A	98.3	Very high	97.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-39.5	174.8	0	0	0	0	0	112.1	I120 T155 A156 Q157 L161 I162 E163 V186 L190	I120-A159 HydrophobicContact CD1-CB 3.63Å; I120-A159 HydrophobicContact CG1-CB 3.7Å; T155-A159 PolarHBondContact O-N 3.04Å; A156-A159 WeakPolarHBondContact O-CB 3.48Å; A156-A159 PolarHBondContact O-N 2.99Å; Q157-A159 VanDerWaalsContact C-N 3.29Å; Q157-A159 PolarHBondContact O-N 3.39Å; A159-L161 VanDerWaalsContact C-N 3.32Å; A159-L161 PolarHBondContact O-N 3.4Å; A159-I162 PolarHBondContact O-N 3.37Å; A159-E163 WeakPolarHBondContact O-CB 3.16Å; A159-E163 WeakPolarHBondContact O-CG 3.34Å; A159-E163 PolarHBondContact O-N 2.78Å; A159-V186 HydrophobicContact CB-CG1 3.55Å; A159-L190 HydrophobicContact CB-CD1 3.86Å; A159-L190 HydrophobicContact CB-CD2 3.77Å; A159-L190 HydrophobicContact CB-CG 3.86Å
160	V	98.5	Very high	97.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-40.8	172.3	-179.7	0	0	0	0	111.2	I120 A123 E124 M127 L130 I131 R134 A156 Q157 T158 T164	I120-V160 HydrophobicContact CG2-CG2 4.02Å; A123-V160 HydrophobicContact CB-CG2 4.06Å; E124-V160 HydrophobicContact CG-CB 4.49Å; E124-V160 HydrophobicContact CG-CG1 4.11Å; E124-V160 HydrophobicContact CG-CG2 3.57Å; M127-V160 HydrophobicContact CB-CG1 4.13Å; M127-V160 HydrophobicContact CE-CB 4.35Å; M127-V160 HydrophobicContact CE-CG1 4.47Å; M127-V160 HydrophobicContact SD-CB 3.59Å; M127-V160 VanDerWaalsContact SD-CB 3.59Å; M127-V160 HydrophobicContact SD-CG1 3.78Å; M127-V160 HydrophobicContact SD-CG2 3.82Å; L130-V160 HydrophobicContact CB-CG1 4.29Å; L130-V160 HydrophobicContact CD1-CB 4.43Å; L130-V160 HydrophobicContact CD1-CG1 3.76Å; I131-V160 HydrophobicContact CD1-CG1 4.49Å; R134-V160 PolarHBondContact NH2-O 2.91Å; A156-V160 WeakPolarHBondContact O-CG2 3.36Å; A156-V160 PolarHBondContact O-N 2.81Å; Q157-V160 WeakPolarHBondContact O-CB 3.33Å; Q157-V160 PolarHBondContact O-N 2.71Å; T158-V160 VanDerWaalsContact C-N 3.31Å; T158-V160 PolarHBondContact O-N 2.79Å; V160-T164 WeakPolarHBondContact O-CB 3.38Å; V160-T164 PolarHBondContact O-N 3.16Å; V160-T164 PolarHBondContact O-OG1 3.37Å
161	L	98.5	Very high	97.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-52.8	172.8	173.6	59.2	0	0	0	111.6	L130 Q157 T158 A159 E163 T164 L165 L227 A459 Q462 A463	L130-L161 HydrophobicContact CD2-CD1 4.47Å; Q157-L161 PolarHBondContact O-N 3.24Å; Q157-L161 VanDerWaalsContact O-N 3.07Å; T158-L161 WeakPolarHBondContact O-CA 3.49Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 3.19Å; T158-L161 VanDerWaalsContact O-N 3.12Å; A159-L161 VanDerWaalsContact C-N 3.32Å; A159-L161 PolarHBondContact O-N 3.4Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.05Å; L161-T164 CarbonylContact O-C 3.28Å; L161-T164 WeakPolarHBondContact O-CA 3.48Å; L161-T164 VanDerWaalsContact O-CB 3.29Å; L161-T164 WeakPolarHBondContact O-CB 3.34Å; L161-T164 PolarHBondContact O-N 2.86Å; L161-L165 HydrophobicContact CD1-CD1 4.22Å; L161-L165 HydrophobicContact CD1-CD2 4.31Å; L161-L165 HydrophobicContact CD1-CG 4.06Å; L161-L165 HydrophobicContact CG-CD1 4.21Å; L161-L165 HydrophobicContact CG-CG 4.44Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 2.96Å; L161-L227 HydrophobicContact CD2-CD2 3.85Å; L161-A459 HydrophobicContact CB-CB 4.07Å; L161-A459 HydrophobicContact CD1-CB 4.24Å; L161-A459 WeakPolarHBondContact CD1-O 3.49Å; L161-A459 HydrophobicContact CD2-CB 4.19Å; L161-A459 HydrophobicContact CG-CB 4.39Å; L161-Q462 HydrophobicContact CD2-CB 4.42Å; L161-A463 HydrophobicContact CD1-CB 3.97Å
162	I	98.6	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.2	-49.5	-178.1	-67.6	167.2	0	0	0	110.7	T158 A159 T164 L165 C166 C172 W174 L190 V195	T158-I162 HydrophobicContact CG2-CD1 3.92Å; T158-I162 HydrophobicContact CG2-CG1 4.25Å; T158-I162 VanDerWaalsContact O-CG1 3.26Å; T158-I162 WeakPolarHBondContact O-CG1 3.36Å; T158-I162 PolarHBondContact O-N 2.92Å; A159-I162 PolarHBondContact O-N 3.37Å; I162-T164 VanDerWaalsContact C-N 3.26Å; I162-T164 PolarHBondContact O-N 3.03Å; I162-L165 PolarHBondContact O-N 3.16Å; I162-C166 PolarHBondContact O-N 2.99Å; I162-C166 PolarHBondContact O-SG 2.83Å; I162-C166 VanDerWaalsContact O-SG 3.38Å; I162-C172 HydrophobicContact CG2-CB 4.11Å; I162-W174 HydrophobicContact CD1-CB 4.19Å; I162-W174 HydrophobicContact CD1-CD2 3.47Å; I162-W174 VanDerWaalsContact CD1-CD2 3.47Å; I162-W174 HydrophobicContact CD1-CE3 3.94Å; I162-W174 HydrophobicContact CD1-CG 3.61Å; I162-W174 HydrophobicContact CD1-CZ2 4.24Å; I162-W174 HydrophobicContact CD1-CZ3 4.49Å; I162-W174 HydrophobicContact CG1-CD2 3.61Å; I162-W174 HydrophobicContact CG1-CE3 3.63Å; I162-W174 HydrophobicContact CG1-CG 4.3Å; I162-W174 HydrophobicContact CG1-CH2 3.74Å; I162-W174 HydrophobicContact CG1-CZ2 3.75Å; I162-W174 HydrophobicContact CG1-CZ3 3.7Å; I162-W174 HydrophobicContact CG2-CE3 4.5Å; I162-L190 HydrophobicContact CB-CD2 4.26Å; I162-L190 HydrophobicContact CD1-CD1 3.69Å; I162-L190 HydrophobicContact CD1-CD2 4.35Å; I162-L190 HydrophobicContact CG2-CD2 4.09Å; I162-V195 HydrophobicContact CG2-CG1 3.85Å; I162-V195 HydrophobicContact CG2-CG2 4Å
163	E	98.2	Very high	97.2	Very high	30 Å²	30	17.1 Å²	17.1	14%	0.14	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-31.6	178.2	-73.4	-172.3	170.7	0	0	112	R117 R134 A159 L161 C166 A167 L190	R117-E163 IonicContact CZ-OE1 2.8Å; R117-E163 VanDerWaalsContact CZ-OE1 3.23Å; R117-E163 IonicContact NH1-OE1 3.58Å; R117-E163 PolarHBondContact NH1-OE1 3.45Å; R117-E163 IonicContact NH1-OE2 2.73Å; R117-E163 PolarHBondContact NH1-OE2 3.43Å; R117-E163 IonicContact NH2-OE1 3.62Å; R117-E163 PolarHBondContact NH2-OE1 2.9Å; R134-E163 IonicContact NH1-OE2 2.9Å; R134-E163 VanDerWaalsContact NH2-CB 3.32Å; R134-E163 IonicContact NH2-OE2 2.86Å; A159-E163 WeakPolarHBondContact O-CB 3.16Å; A159-E163 WeakPolarHBondContact O-CG 3.34Å; A159-E163 PolarHBondContact O-N 2.78Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.05Å; E163-C166 PolarHBondContact O-N 2.99Å; E163-A167 WeakPolarHBondContact O-CB 3.47Å; E163-A167 PolarHBondContact O-N 3.25Å; E163-L190 HydrophobicContact CG-CD2 4.33Å
164	T	98.2	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-45.2	171.8	-56.3	0	0	0	0	111.4	L130 L133 R134 V160 L161 I162 C166 A167 L168	L130-T164 HydrophobicContact CB-CG2 4.39Å; L130-T164 HydrophobicContact CD2-CG2 4.04Å; L133-T164 HydrophobicContact CB-CG2 4.39Å; R134-T164 HydrophobicContact CG-CG2 3.79Å; R134-T164 PolarHBondContact NE-OG1 2.75Å; V160-T164 WeakPolarHBondContact O-CB 3.38Å; V160-T164 PolarHBondContact O-N 3.16Å; V160-T164 PolarHBondContact O-OG1 3.37Å; L161-T164 CarbonylContact O-C 3.28Å; L161-T164 WeakPolarHBondContact O-CA 3.48Å; L161-T164 VanDerWaalsContact O-CB 3.29Å; L161-T164 WeakPolarHBondContact O-CB 3.34Å; L161-T164 PolarHBondContact O-N 2.86Å; I162-T164 VanDerWaalsContact C-N 3.26Å; I162-T164 PolarHBondContact O-N 3.03Å; T164-C166 VanDerWaalsContact C-N 3.32Å; T164-C166 PolarHBondContact O-N 3.43Å; T164-A167 WeakPolarHBondContact O-CB 3.42Å; T164-A167 PolarHBondContact O-N 2.88Å; T164-L168 HydrophobicContact CG2-CD1 3.93Å; T164-L168 HydrophobicContact CG2-CG 4.44Å; T164-L168 WeakPolarHBondContact O-CB 3.35Å; T164-L168 WeakPolarHBondContact O-CD1 3.44Å; T164-L168 VanDerWaalsContact O-CG 3.23Å; T164-L168 WeakPolarHBondContact O-CG 3.39Å; T164-L168 PolarHBondContact O-N 3.25Å
165	L	98.4	Very high	97.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-41.6	176.3	-63.1	175.2	0	0	0	111.5	L143 I148 L161 I162 L168 G169 A170 W174 A463 L466	L143-L165 HydrophobicContact CD1-CD2 3.67Å; I148-L165 HydrophobicContact CD1-CB 4.38Å; I148-L165 HydrophobicContact CD1-CD1 4.13Å; I148-L165 HydrophobicContact CD1-CD2 4.38Å; L161-L165 HydrophobicContact CD1-CD1 4.22Å; L161-L165 HydrophobicContact CD1-CD2 4.31Å; L161-L165 HydrophobicContact CD1-CG 4.06Å; L161-L165 HydrophobicContact CG-CD1 4.21Å; L161-L165 HydrophobicContact CG-CG 4.44Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 2.96Å; I162-L165 PolarHBondContact O-N 3.16Å; L165-L168 HydrophobicContact CD2-CD1 4.47Å; L165-L168 WeakPolarHBondContact O-CB 3.5Å; L165-L168 PolarHBondContact O-N 3.34Å; L165-G169 PolarHBondContact O-N 2.98Å; L165-A170 HydrophobicContact CB-CB 4.33Å; L165-A170 VanDerWaalsContact O-CB 3.26Å; L165-A170 WeakPolarHBondContact O-CB 3.35Å; L165-A170 PolarHBondContact O-N 3.48Å; L165-W174 HydrophobicContact CD1-CH2 3.8Å; L165-W174 HydrophobicContact CD1-CZ3 4.06Å; L165-A463 HydrophobicContact CD2-CB 4.14Å; L165-L466 HydrophobicContact CD1-CD1 3.83Å; L165-L466 HydrophobicContact CD2-CD1 3.64Å; L165-L466 HydrophobicContact CG-CD1 4.41Å
166	C	97.3	Very high	97.6	Very high	48 Å²	48	15.4 Å²	15.4	32%	0.324	9%	0.093	S	C	.	.	H	α-helix	trans	-61.1	-45	173.1	-70	0	0	0	0	111.8	I162 E163 T164 L168 G169	I162-C166 PolarHBondContact O-N 2.99Å; I162-C166 PolarHBondContact O-SG 2.83Å; I162-C166 VanDerWaalsContact O-SG 3.38Å; E163-C166 PolarHBondContact O-N 2.99Å; T164-C166 VanDerWaalsContact C-N 3.32Å; T164-C166 PolarHBondContact O-N 3.43Å; C166-L168 VanDerWaalsContact C-N 3.28Å; C166-L168 PolarHBondContact O-N 2.85Å; C166-G169 WeakPolarHBondContact O-CA 3.15Å; C166-G169 PolarHBondContact O-N 3.37Å
167	A	96.4	Very high	97.3	Very high	41 Å²	41	15.9 Å²	15.9	34%	0.339	10%	0.096	S	C	.	.	H	α-helix	trans	-62	-35.4	176.5	0	0	0	0	0	112.4	R134 E163 T164 G169	R134-A167 HydrophobicContact CB-CB 4.48Å; R134-A167 HydrophobicContact CG-CB 4.09Å; E163-A167 WeakPolarHBondContact O-CB 3.47Å; E163-A167 PolarHBondContact O-N 3.25Å; T164-A167 WeakPolarHBondContact O-CB 3.42Å; T164-A167 PolarHBondContact O-N 2.88Å; A167-G169 PolarHBondContact O-N 3.24Å
168	L	97.2	Very high	97	Very high	6 Å²	6	17 Å²	17	3%	0.031	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5	173.7	-68.2	163.6	0	0	0	113.5	A137 K141 P142 L143 T164 L165 C166 I467	A137-L168 HydrophobicContact CB-CD2 3.58Å; A137-L168 HydrophobicContact CB-CG 4.29Å; K141-L168 CarbonylContact C-O 3.6Å; K141-L168 VanDerWaalsContact CA-O 3.27Å; K141-L168 WeakPolarHBondContact CA-O 3.38Å; P142-L168 WeakPolarHBondContact CD-O 3.47Å; P142-L168 HydrophobicContact CG-CB 4.27Å; P142-L168 HydrophobicContact CG-CD2 3.58Å; P142-L168 HydrophobicContact CG-CG 4.49Å; L143-L168 HydrophobicContact CB-CB 4.21Å; L143-L168 HydrophobicContact CD1-CB 3.92Å; L143-L168 HydrophobicContact CD1-CD1 4.11Å; L143-L168 HydrophobicContact CG-CB 4.14Å; L143-L168 PolarHBondContact N-O 3.48Å; T164-L168 HydrophobicContact CG2-CD1 3.93Å; T164-L168 HydrophobicContact CG2-CG 4.44Å; T164-L168 WeakPolarHBondContact O-CB 3.35Å; T164-L168 WeakPolarHBondContact O-CD1 3.44Å; T164-L168 VanDerWaalsContact O-CG 3.23Å; T164-L168 WeakPolarHBondContact O-CG 3.39Å; T164-L168 PolarHBondContact O-N 3.25Å; L165-L168 HydrophobicContact CD2-CD1 4.47Å; L165-L168 WeakPolarHBondContact O-CB 3.5Å; L165-L168 PolarHBondContact O-N 3.34Å; C166-L168 VanDerWaalsContact C-N 3.28Å; C166-L168 PolarHBondContact O-N 2.85Å; L168-I467 HydrophobicContact CD1-CD1 4.02Å; L168-I467 HydrophobicContact CD2-CD1 4.31Å
169	G	96.6	Very high	96.5	Very high	20 Å²	20	17.4 Å²	17.4	21%	0.206	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	3.5	173.6	0	0	0	0	0	115.8	L143 L165 C166 A167	L143-G169 CarbonylContact O-C 3.43Å; L143-G169 VanDerWaalsContact O-C 3.28Å; L143-G169 VanDerWaalsContact O-O 3.14Å; L165-G169 PolarHBondContact O-N 2.98Å; C166-G169 WeakPolarHBondContact O-CA 3.15Å; C166-G169 PolarHBondContact O-N 3.37Å; A167-G169 PolarHBondContact O-N 3.24Å
170	A	97.8	Very high	95.9	Very high	8 Å²	8	20.7 Å²	20.7	7%	0.066	12%	0.117	C	C	.	.			trans	-75.5	156.6	177.5	0	0	0	0	0	112.3	L143 A146 I148 L165	L143-A170 HydrophobicContact CB-CB 3.94Å; L143-A170 HydrophobicContact CD1-CB 4.29Å; L143-A170 PolarHBondContact O-N 2.98Å; A146-A170 HydrophobicContact CB-CB 4.11Å; A146-A170 WeakPolarHBondContact O-CA 3.32Å; I148-A170 HydrophobicContact CD1-CB 3.57Å; I148-A170 HydrophobicContact CG1-CB 4.15Å; L165-A170 HydrophobicContact CB-CB 4.33Å; L165-A170 VanDerWaalsContact O-CB 3.26Å; L165-A170 WeakPolarHBondContact O-CB 3.35Å; L165-A170 PolarHBondContact O-N 3.48Å
171	Q	97.2	Very high	95.4	Very high	105 Å²	105	21.1 Å²	21.1	49%	0.491	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.4	160.7	-63.4	175.2	26.1	0	0	108.1	A146 K147 I148	A146-Q171 PolarHBondContact O-N 3.06Å; K147-Q171 CarbonylContact C-O 3.58Å; K147-Q171 WeakPolarHBondContact CA-O 3.36Å; I148-Q171 PolarHBondContact N-O 3.28Å
172	C	97.7	Very high	95.1	Very high	13 Å²	13	21.1 Å²	21.1	9%	0.088	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.3	-174.7	-62.1	0	0	0	0	111.7	I148 I162 W174 V195	I148-C172 WeakPolarHBondContact O-CA 3.23Å; I162-C172 HydrophobicContact CG2-CB 4.11Å; C172-W174 HydrophobicContact CB-CE3 4.14Å; C172-W174 HydrophobicContact CB-CZ3 4.18Å; C172-V195 HydrophobicContact CB-CG1 4.48Å
173	R	98	Very high	94.9	Very high	12 Å²	12	23.5 Å²	23.5	5%	0.045	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	164	-55.2	-174.9	65.3	86.8	4.8	108.1	N104 I148 V149 G150 A196 F198 R214 C215 M218 W221	N104-R173 PolarHBondContact ND2-NH1 2.82Å; N104-R173 PolarHBondContact OD1-NH1 3.32Å; N104-R173 VanDerWaalsContact OD1-NH1 3.13Å; N104-R173 PolarHBondContact OD1-NH2 3.39Å; I148-R173 PolarHBondContact O-N 3.35Å; V149-R173 WeakPolarHBondContact CA-O 3.46Å; G150-R173 PolarHBondContact N-O 2.93Å; R173-A196 CarbonylContact C-O 3.58Å; R173-A196 WeakPolarHBondContact CA-O 3.44Å; R173-A196 HydrophobicContact CB-CB 4.4Å; R173-A196 HydrophobicContact CG-CB 4.04Å; R173-F198 VanDerWaalsContact NH2-CZ 3.3Å; R173-R214 PolarHBondContact NE-O 2.91Å; R173-R214 PolarHBondContact NH2-O 2.9Å; R173-C215 HydrophobicContact CB-CB 4.14Å; R173-C215 WeakPolarHBondContact CD-O 3.36Å; R173-M218 PolarHBondContact NH2-SD 3.27Å; R173-W221 HydrophobicContact CB-CH2 4.44Å; R173-W221 HydrophobicContact CB-CZ2 4.37Å; R173-W221 VanDerWaalsContact CD-CZ2 3.46Å; R173-W221 HydrophobicContact CG-CD2 4.37Å; R173-W221 HydrophobicContact CG-CH2 4.05Å; R173-W221 HydrophobicContact CG-CZ2 3.62Å
174	W	98.5	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.9	-168.9	-130.4	-89.6	0	0	0	113.9	I148 G150 T152 T158 I162 L165 C172 A196 V197 F198 C215 L227	I148-W174 HydrophobicContact CG2-CZ3 4.32Å; G150-W174 WeakPolarHBondContact O-CA 3.34Å; T152-W174 HydrophobicContact CG2-CZ2 4.42Å; T152-W174 PolarHBondContact OG1-NE1 3.07Å; T158-W174 HydrophobicContact CG2-CZ2 4.21Å; I162-W174 HydrophobicContact CD1-CB 4.19Å; I162-W174 HydrophobicContact CD1-CD2 3.47Å; I162-W174 VanDerWaalsContact CD1-CD2 3.47Å; I162-W174 HydrophobicContact CD1-CE3 3.94Å; I162-W174 HydrophobicContact CD1-CG 3.61Å; I162-W174 HydrophobicContact CD1-CZ2 4.24Å; I162-W174 HydrophobicContact CD1-CZ3 4.49Å; I162-W174 HydrophobicContact CG1-CD2 3.61Å; I162-W174 HydrophobicContact CG1-CE3 3.63Å; I162-W174 HydrophobicContact CG1-CG 4.3Å; I162-W174 HydrophobicContact CG1-CH2 3.74Å; I162-W174 HydrophobicContact CG1-CZ2 3.75Å; I162-W174 HydrophobicContact CG1-CZ3 3.7Å; I162-W174 HydrophobicContact CG2-CE3 4.5Å; L165-W174 HydrophobicContact CD1-CH2 3.8Å; L165-W174 HydrophobicContact CD1-CZ3 4.06Å; C172-W174 HydrophobicContact CB-CE3 4.14Å; C172-W174 HydrophobicContact CB-CZ3 4.18Å; W174-A196 PolarHBondContact N-O 3.05Å; W174-V197 HydrophobicContact CB-CG2 4.3Å; W174-V197 WeakPolarHBondContact O-CA 3.43Å; W174-F198 PolarHBondContact O-N 3.35Å; W174-C215 PolarHBondContact O-SG 3.09Å; W174-C215 VanDerWaalsContact O-SG 3.41Å; W174-L227 HydrophobicContact CH2-CD2 3.62Å; W174-L227 HydrophobicContact CZ2-CD2 3.74Å
175	S	98	Very high	94.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	163.3	167.3	61.6	0	0	0	0	110.6	G150 C151 T152 F198 I212	G150-S175 PolarHBondContact O-N 3.02Å; C151-S175 WeakPolarHBondContact CA-O 3.19Å; T152-S175 PolarHBondContact N-O 3.13Å; S175-F198 WeakPolarHBondContact CA-O 3.38Å; S175-I212 WeakPolarHBondContact OG-CG1 3.18Å
176	A	95.7	Very high	94.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.			trans	-74.7	150.1	172.7	0	0	0	0	0	111.2	C151 T152 I154 T182 A199 F208	C151-A176 PolarHBondContact SG-O 3.41Å; T152-A176 VanDerWaalsContact O-CA 3.28Å; T152-A176 WeakPolarHBondContact O-CA 3.42Å; I154-A176 HydrophobicContact CG1-CB 4.3Å; A176-T182 WeakPolarHBondContact CB-OG1 3.36Å; A176-A199 HydrophobicContact CB-CB 4Å; A176-F208 VanDerWaalsContact O-CE2 3.27Å; A176-F208 WeakPolarHBondContact O-CE2 3.44Å
177	C	92	Very high	94.8	Very high	13 Å²	13	23 Å²	23	9%	0.088	13%	0.125	C	C	.	.	S	Bend	trans	-93.5	-3.4	166.7	65.8	0	0	0	0	112.8	T152 H153 D229	T152-C177 PolarHBondContact O-N 3.4Å; H153-C177 PolarHBondContact CE1-SG 2.88Å; H153-C177 PolarHBondContact N-SG 2.75Å; H153-C177 PolarHBondContact ND1-SG 3.34Å; H153-C177 VanDerWaalsContact ND1-SG 3.38Å; C177-D229 HydrophobicContact CB-CB 4.49Å; C177-D229 VanDerWaalsContact CB-O 3.24Å; C177-D229 WeakPolarHBondContact CB-O 3.33Å
178	N	88.5	Confident	94.9	Very high	41 Å²	41	21.1 Å²	21.1	22%	0.219	11%	0.109	C	C	.	.	S	Bend	trans	-151	131.1	177.3	-176.8	-67.5	0	0	0	111.7	Y180 S181	N178-Y180 PolarHBondContact O-N 3.22Å; N178-Y180 PolarHBondContact OD1-N 2.6Å; N178-S181 PolarHBondContact O-N 2.84Å; N178-S181 PolarHBondContact O-OG 3.37Å
179	I	87.8	Confident	95	Very high	26 Å²	26	20.9 Å²	20.9	13%	0.133	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.3	-174.9	63.8	174.7	0	0	0	115.4	G202 E203 F208	I179-G202 WeakPolarHBondContact O-CA 3.39Å; I179-G202 PolarHBondContact O-N 2.66Å; I179-E203 HydrophobicContact CB-CB 3.92Å; I179-E203 WeakPolarHBondContact CB-O 3.4Å; I179-E203 HydrophobicContact CG2-CB 3.79Å; I179-E203 PolarHBondContact O-N 3.38Å; I179-F208 HydrophobicContact CG2-CB 3.9Å; I179-F208 HydrophobicContact CG2-CD2 4Å; I179-F208 HydrophobicContact CG2-CG 4.15Å
180	Y	84.9	Confident	95.1	Very high	69 Å²	69	20 Å²	20	27%	0.271	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-4.3	-179.9	-61.7	-55.5	0	0	0	114.4	N178 K201	N178-Y180 PolarHBondContact O-N 3.22Å; N178-Y180 PolarHBondContact OD1-N 2.6Å; Y180-K201 WeakPolarHBondContact O-CE 3.46Å
181	S	87.1	Confident	95.1	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.063	10%	0.095	C	C	.	.			trans	-86.6	-12.9	-171.1	66.4	0	0	0	0	114.7	H153 N178 Q183	H153-S181 WeakPolarHBondContact ND1-CB 3.42Å; H153-S181 PolarHBondContact ND1-OG 3.44Å; N178-S181 PolarHBondContact O-N 2.84Å; N178-S181 PolarHBondContact O-OG 3.37Å; S181-Q183 PolarHBondContact O-N 2.99Å
182	T	93.5	Very high	95.2	Very high	2 Å²	2	17 Å²	17	1%	0.012	8%	0.083	C	C	.	.			trans	-69.5	127.3	180	-57.1	0	0	0	0	111.5	I154 A176 A187 A199 K201	I154-T182 HydrophobicContact CB-CG2 4.13Å; I154-T182 HydrophobicContact CG2-CG2 4.36Å; I154-T182 CarbonylContact O-C 3.44Å; I154-T182 WeakPolarHBondContact O-CA 3.43Å; A176-T182 WeakPolarHBondContact CB-OG1 3.36Å; T182-A187 HydrophobicContact CG2-CB 3.98Å; T182-A199 HydrophobicContact CG2-CB 4.11Å; T182-K201 WeakPolarHBondContact O-CB 3.41Å
183	Q	94.5	Very high	95.2	Very high	50 Å²	50	18.3 Å²	18.3	23%	0.234	10%	0.095	C	C	.	.			trans	-84.8	108.5	160.8	-71.3	173.9	-9.2	0	0	107.7	I154 S181 E185 V186 A187	I154-Q183 PolarHBondContact O-N 3.15Å; S181-Q183 PolarHBondContact O-N 2.99Å; Q183-E185 VanDerWaalsContact C-N 3.31Å; Q183-E185 PolarHBondContact O-N 3.35Å; Q183-V186 HydrophobicContact CB-CB 3.92Å; Q183-V186 HydrophobicContact CB-CG2 3.81Å; Q183-V186 PolarHBondContact O-N 3.2Å; Q183-V186 VanDerWaalsContact O-N 3.11Å; Q183-A187 PolarHBondContact O-N 2.95Å
184	N	96.4	Very high	95.1	Very high	27 Å²	27	19.9 Å²	19.9	14%	0.144	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-41.3	-169.1	-77.4	-30.9	0	0	0	112.2	K108 V186 A187 A188 W200 K201	K108-N184 HydrophobicContact CB-CB 4.02Å; N184-V186 VanDerWaalsContact C-N 3.34Å; N184-A187 PolarHBondContact O-N 3.46Å; N184-A188 PolarHBondContact O-N 2.97Å; N184-W200 WeakPolarHBondContact OD1-CA 3.45Å; N184-K201 PolarHBondContact OD1-N 3Å
185	E	97.7	Very high	95	Very high	42 Å²	42	20.5 Å²	20.5	20%	0.196	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-41.1	175.3	60	-78.4	179.8	0	0	112.2	Q112 F115 G116 Q183 A188 A189	Q112-E185 HydrophobicContact CB-CB 4.05Å; F115-E185 HydrophobicContact CD1-CB 3.58Å; F115-E185 HydrophobicContact CD1-CG 3.57Å; F115-E185 HydrophobicContact CE1-CB 4.28Å; F115-E185 HydrophobicContact CE1-CG 3.77Å; G116-E185 WeakPolarHBondContact CA-O 3.23Å; Q183-E185 VanDerWaalsContact C-N 3.31Å; Q183-E185 PolarHBondContact O-N 3.35Å; E185-A188 WeakPolarHBondContact O-CB 3.39Å; E185-A188 PolarHBondContact O-N 3.44Å; E185-A189 PolarHBondContact O-N 3.04Å
186	V	98.1	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.4	-42.3	178	175.2	0	0	0	0	110.7	E119 I120 A156 A159 Q183 N184 A188 A189 L190	E119-V186 HydrophobicContact CB-CG2 4.22Å; I120-V186 HydrophobicContact CD1-CG1 4.23Å; I120-V186 HydrophobicContact CG1-CG1 4.19Å; A156-V186 HydrophobicContact CB-CG2 4.16Å; A159-V186 HydrophobicContact CB-CG1 3.55Å; Q183-V186 HydrophobicContact CB-CB 3.92Å; Q183-V186 HydrophobicContact CB-CG2 3.81Å; Q183-V186 PolarHBondContact O-N 3.2Å; Q183-V186 VanDerWaalsContact O-N 3.11Å; N184-V186 VanDerWaalsContact C-N 3.34Å; V186-A188 VanDerWaalsContact C-N 3.26Å; V186-A188 PolarHBondContact O-N 3.02Å; V186-A189 PolarHBondContact O-N 2.89Å; V186-A189 VanDerWaalsContact O-N 3.12Å; V186-L190 HydrophobicContact CG1-CD1 4.49Å; V186-L190 PolarHBondContact O-N 3.26Å
187	A	98.3	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-41.4	173.1	0	0	0	0	0	111.2	V107 I154 T182 Q183 N184 L190 A191 V197	V107-A187 HydrophobicContact CB-CB 4.38Å; V107-A187 HydrophobicContact CG1-CB 3.91Å; I154-A187 HydrophobicContact CG2-CB 4.16Å; T182-A187 HydrophobicContact CG2-CB 3.98Å; Q183-A187 PolarHBondContact O-N 2.95Å; N184-A187 PolarHBondContact O-N 3.46Å; A187-L190 PolarHBondContact O-N 2.95Å; A187-A191 WeakPolarHBondContact O-CB 3.36Å; A187-A191 PolarHBondContact O-N 3.47Å; A187-V197 HydrophobicContact CB-CG1 4.22Å
188	A	98.4	Very high	95.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-43.2	173.6	0	0	0	0	0	112.4	V107 N109 I110 Q112 A113 N184 E185 V186 L190 A191 E192	V107-A188 HydrophobicContact CG2-CB 4.48Å; N109-A188 WeakPolarHBondContact O-CB 3.3Å; I110-A188 WeakPolarHBondContact CD1-O 3.38Å; Q112-A188 HydrophobicContact CB-CB 4.34Å; A113-A188 HydrophobicContact CB-CB 4.29Å; N184-A188 PolarHBondContact O-N 2.97Å; E185-A188 WeakPolarHBondContact O-CB 3.39Å; E185-A188 PolarHBondContact O-N 3.44Å; V186-A188 VanDerWaalsContact C-N 3.26Å; V186-A188 PolarHBondContact O-N 3.02Å; A188-L190 VanDerWaalsContact C-N 3.35Å; A188-L190 PolarHBondContact O-N 2.82Å; A188-A191 PolarHBondContact O-N 2.9Å; A188-E192 VanDerWaalsContact O-CB 3.3Å; A188-E192 WeakPolarHBondContact O-CB 3.36Å; A188-E192 PolarHBondContact O-N 3.24Å
189	A	98.8	Very high	95.8	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-37	178.3	0	0	0	0	0	113.2	A113 I120 E185 V186 A193	A113-A189 WeakPolarHBondContact O-CB 3.29Å; I120-A189 HydrophobicContact CD1-CB 3.71Å; E185-A189 PolarHBondContact O-N 3.04Å; V186-A189 PolarHBondContact O-N 2.89Å; V186-A189 VanDerWaalsContact O-N 3.12Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 2.87Å
190	L	98.6	Very high	96.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.6	-44.9	173.6	-74.6	170.3	0	0	0	112.1	I154 A159 I162 E163 V186 A187 A188 E192 A193 G194 V195 V197	I154-L190 HydrophobicContact CG2-CD1 4.33Å; A159-L190 HydrophobicContact CB-CD1 3.86Å; A159-L190 HydrophobicContact CB-CD2 3.77Å; A159-L190 HydrophobicContact CB-CG 3.86Å; I162-L190 HydrophobicContact CB-CD2 4.26Å; I162-L190 HydrophobicContact CD1-CD1 3.69Å; I162-L190 HydrophobicContact CD1-CD2 4.35Å; I162-L190 HydrophobicContact CG2-CD2 4.09Å; E163-L190 HydrophobicContact CG-CD2 4.33Å; V186-L190 HydrophobicContact CG1-CD1 4.49Å; V186-L190 PolarHBondContact O-N 3.26Å; A187-L190 PolarHBondContact O-N 2.95Å; A188-L190 VanDerWaalsContact C-N 3.35Å; A188-L190 PolarHBondContact O-N 2.82Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.48Å; L190-A193 WeakPolarHBondContact O-CB 3.42Å; L190-A193 PolarHBondContact O-N 2.76Å; L190-G194 PolarHBondContact O-N 3.27Å; L190-V195 HydrophobicContact CB-CB 4.3Å; L190-V195 HydrophobicContact CD2-CG2 4.25Å; L190-V195 WeakPolarHBondContact O-CB 3.44Å; L190-V195 PolarHBondContact O-N 2.98Å; L190-V197 HydrophobicContact CB-CG2 3.66Å; L190-V197 HydrophobicContact CD1-CG2 4.06Å; L190-V197 HydrophobicContact CG-CG2 4.5Å
191	A	98.2	Very high	96.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.9	-41.3	175.8	0	0	0	0	0	111.9	N98 F105 V107 I110 A187 A188 G194	N98-A191 PolarHBondContact ND2-O 3.23Å; F105-A191 HydrophobicContact CB-CB 3.89Å; F105-A191 HydrophobicContact CD1-CB 3.97Å; F105-A191 HydrophobicContact CD2-CB 3.75Å; F105-A191 HydrophobicContact CE1-CB 4.42Å; F105-A191 HydrophobicContact CE2-CB 4.23Å; F105-A191 HydrophobicContact CG-CB 3.61Å; V107-A191 HydrophobicContact CG1-CB 4.18Å; I110-A191 HydrophobicContact CD1-CB 3.73Å; A187-A191 WeakPolarHBondContact O-CB 3.36Å; A187-A191 PolarHBondContact O-N 3.47Å; A188-A191 PolarHBondContact O-N 2.9Å; A191-G194 WeakPolarHBondContact O-CA 3.42Å; A191-G194 PolarHBondContact O-N 2.8Å
192	E	98.3	Very high	96.5	Very high	52 Å²	52	20.6 Å²	20.6	24%	0.243	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-39.6	175.5	-175	55.9	-146.4	0	0	111.9	N98 S99 I110 A113 A188 L190 G194	N98-E192 WeakPolarHBondContact CA-OE2 3.31Å; N98-E192 VanDerWaalsContact CB-OE2 3.26Å; N98-E192 WeakPolarHBondContact CB-OE2 3.09Å; S99-E192 WeakPolarHBondContact CB-OE1 3.46Å; S99-E192 PolarHBondContact N-OE1 3.19Å; S99-E192 PolarHBondContact N-OE2 2.99Å; S99-E192 PolarHBondContact OG-OE1 3Å; I110-E192 HydrophobicContact CD1-CB 4.17Å; A113-E192 HydrophobicContact CB-CB 3.55Å; A113-E192 HydrophobicContact CB-CG 3.82Å; A188-E192 VanDerWaalsContact O-CB 3.3Å; A188-E192 WeakPolarHBondContact O-CB 3.36Å; A188-E192 PolarHBondContact O-N 3.24Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.48Å; E192-G194 PolarHBondContact O-N 2.96Å
193	A	97.7	Very high	96.4	Very high	39 Å²	39	20.8 Å²	20.8	32%	0.322	13%	0.128	S	C	.	.	H	α-helix	trans	-63.9	-20.3	173.2	0	0	0	0	0	113	K100 A189 L190	K100-A193 PolarHBondContact NZ-O 3.22Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 2.87Å; L190-A193 WeakPolarHBondContact O-CB 3.42Å; L190-A193 PolarHBondContact O-N 2.76Å
194	G	96.6	Very high	96.2	Very high	46 Å²	46	21 Å²	21	47%	0.474	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	104	12.3	178.8	0	0	0	0	0	114.2	L190 A191 E192	L190-G194 PolarHBondContact O-N 3.27Å; A191-G194 WeakPolarHBondContact O-CA 3.42Å; A191-G194 PolarHBondContact O-N 2.8Å; E192-G194 PolarHBondContact O-N 2.96Å
195	V	96.9	Very high	95.8	Very high	13 Å²	13	26.9 Å²	26.9	8%	0.079	16%	0.161	C	C	.	.			trans	-76.8	136.6	170.9	-177.6	0	0	0	0	109	I162 C172 L190 V197	I162-V195 HydrophobicContact CG2-CG1 3.85Å; I162-V195 HydrophobicContact CG2-CG2 4Å; C172-V195 HydrophobicContact CB-CG1 4.48Å; L190-V195 HydrophobicContact CB-CB 4.3Å; L190-V195 HydrophobicContact CD2-CG2 4.25Å; L190-V195 WeakPolarHBondContact O-CB 3.44Å; L190-V195 PolarHBondContact O-N 2.98Å; V195-V197 HydrophobicContact CB-CG2 4.12Å; V195-V197 HydrophobicContact CG1-CG2 3.73Å; V195-V197 PolarHBondContact O-N 3.44Å; V195-V197 VanDerWaalsContact O-N 3.09Å
196	A	96.8	Very high	95.7	Very high	4 Å²	4	31 Å²	31	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	94.5	176.3	0	0	0	0	0	110.3	N104 R173 W174 F198	N104-A196 WeakPolarHBondContact ND2-CB 3.42Å; N104-A196 VanDerWaalsContact O-CA 3.31Å; N104-A196 WeakPolarHBondContact O-CA 3.32Å; N104-A196 WeakPolarHBondContact O-CB 3.43Å; R173-A196 CarbonylContact C-O 3.58Å; R173-A196 WeakPolarHBondContact CA-O 3.44Å; R173-A196 HydrophobicContact CB-CB 4.4Å; R173-A196 HydrophobicContact CG-CB 4.04Å; W174-A196 PolarHBondContact N-O 3.05Å; A196-F198 HydrophobicContact CB-CE2 4.01Å
197	V	97.9	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.8	-179.2	-179.2	0	0	0	0	110.4	F105 C106 V107 I154 W174 A187 L190 V195 A199	F105-V197 CarbonylContact C-O 3.57Å; F105-V197 VanDerWaalsContact CA-O 3.31Å; F105-V197 WeakPolarHBondContact CA-O 3.2Å; F105-V197 WeakPolarHBondContact CB-O 3.23Å; C106-V197 PolarHBondContact N-O 3.33Å; V107-V197 HydrophobicContact CG1-CG1 4.41Å; I154-V197 HydrophobicContact CD1-CG1 3.61Å; W174-V197 HydrophobicContact CB-CG2 4.3Å; W174-V197 WeakPolarHBondContact O-CA 3.43Å; A187-V197 HydrophobicContact CB-CG1 4.22Å; L190-V197 HydrophobicContact CB-CG2 3.66Å; L190-V197 HydrophobicContact CD1-CG2 4.06Å; L190-V197 HydrophobicContact CG-CG2 4.5Å; V195-V197 HydrophobicContact CB-CG2 4.12Å; V195-V197 HydrophobicContact CG1-CG2 3.73Å; V195-V197 PolarHBondContact O-N 3.44Å; V195-V197 VanDerWaalsContact O-N 3.09Å; V197-A199 HydrophobicContact CG1-CB 4.41Å
198	F	97.6	Very high	95.4	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	91	176.6	-59.4	-96.5	0	0	0	107.5	C106 R173 W174 S175 A196 W210 C211 R214 C215	C106-F198 HydrophobicContact CB-CD1 3.74Å; C106-F198 HydrophobicContact CB-CE1 4.35Å; C106-F198 WeakPolarHBondContact O-CA 3.22Å; R173-F198 VanDerWaalsContact NH2-CZ 3.3Å; W174-F198 PolarHBondContact O-N 3.35Å; S175-F198 WeakPolarHBondContact CA-O 3.38Å; A196-F198 HydrophobicContact CB-CE2 4.01Å; F198-W210 HydrophobicContact CD1-CH2 4.06Å; F198-W210 HydrophobicContact CD1-CZ3 4.04Å; F198-C211 VanDerWaalsContact C-SG 3.58Å; F198-C211 HydrophobicContact CB-CB 4.05Å; F198-C211 WeakPolarHBondContact O-CB 3.35Å; F198-C211 PolarHBondContact O-SG 3.36Å; F198-C211 VanDerWaalsContact O-SG 3.33Å; F198-R214 HydrophobicContact CB-CB 4.41Å; F198-R214 HydrophobicContact CD1-CB 3.58Å; F198-R214 HydrophobicContact CD1-CG 3.87Å; F198-R214 HydrophobicContact CD2-CB 4.03Å; F198-R214 HydrophobicContact CE1-CB 3.79Å; F198-R214 HydrophobicContact CE1-CG 4.08Å; F198-R214 HydrophobicContact CE2-CB 4.24Å; F198-R214 HydrophobicContact CG-CB 3.72Å; F198-R214 HydrophobicContact CG-CG 4.44Å; F198-R214 HydrophobicContact CZ-CB 4.12Å; F198-C215 VanDerWaalsContact CD2-SG 3.58Å
199	A	97.2	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.			trans	-169.3	152.2	178.8	0	0	0	0	0	112.5	C106 I154 A176 T182 V197 E203	C106-A199 PolarHBondContact O-N 3.4Å; I154-A199 HydrophobicContact CD1-CB 3.4Å; I154-A199 HydrophobicContact CG1-CB 4.33Å; A176-A199 HydrophobicContact CB-CB 4Å; T182-A199 HydrophobicContact CG2-CB 4.11Å; V197-A199 HydrophobicContact CG1-CB 4.41Å; A199-E203 WeakPolarHBondContact CA-OE1 3.38Å
200	W	96.3	Very high	95.1	Very high	8 Å²	8	38.8 Å²	38.8	3%	0.03	22%	0.215	C	C	.	.			trans	-153.8	163.3	165.5	57.6	94.7	0	0	0	111	P91 R92 K108 N184 E203 D207 W210 C211	P91-W200 HydrophobicContact CB-CD2 4.01Å; P91-W200 HydrophobicContact CB-CE3 3.96Å; P91-W200 HydrophobicContact CB-CZ3 4.28Å; P91-W200 HydrophobicContact CG-CB 4.42Å; P91-W200 HydrophobicContact CG-CD2 3.66Å; P91-W200 HydrophobicContact CG-CE3 4.14Å; P91-W200 HydrophobicContact CG-CG 3.77Å; P91-W200 HydrophobicContact CG-CZ2 4.39Å; R92-W200 HydrophobicContact CG-CH2 3.67Å; R92-W200 HydrophobicContact CG-CZ2 4.41Å; R92-W200 HydrophobicContact CG-CZ3 4.37Å; K108-W200 HydrophobicContact CB-CB 3.96Å; N184-W200 WeakPolarHBondContact OD1-CA 3.45Å; W200-E203 HydrophobicContact CD2-CG 3.88Å; W200-E203 HydrophobicContact CE3-CG 4.44Å; W200-E203 HydrophobicContact CG-CG 4.15Å; W200-E203 HydrophobicContact CZ2-CG 4.09Å; W200-E203 PolarHBondContact N-OE1 3.24Å; W200-E203 WeakPolarHBondContact O-CG 3.28Å; W200-D207 HydrophobicContact CH2-CB 3.78Å; W200-D207 HydrophobicContact CZ2-CB 3.5Å; W200-D207 VanDerWaalsContact CZ2-CB 3.5Å; W200-D207 VanDerWaalsContact CZ2-CG 3.47Å; W200-W210 HydrophobicContact CZ3-CZ3 4.39Å; W200-C211 VanDerWaalsContact CZ3-SG 3.58Å
201	K	91.3	Very high	95.1	Very high	97 Å²	97	38.8 Å²	38.8	42%	0.422	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	131.3	173.9	-164.1	170	-177.8	168.7	0	110.2	Y180 T182 N184	Y180-K201 WeakPolarHBondContact O-CE 3.46Å; T182-K201 WeakPolarHBondContact O-CB 3.41Å; N184-K201 PolarHBondContact OD1-N 3Å
202	G	87.4	Confident	95	Very high	40 Å²	40	38.8 Å²	38.8	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	34.9	-179.4	0	0	0	0	0	113.6	I179	I179-G202 WeakPolarHBondContact O-CA 3.39Å; I179-G202 PolarHBondContact O-N 2.66Å
203	E	90.4	Very high	94.9	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.028	21%	0.209	C	C	.	.			trans	-57	142.4	169.2	-76.9	160.5	-156.8	0	0	111.4	I179 A199 W200 D207 F208	I179-E203 HydrophobicContact CB-CB 3.92Å; I179-E203 WeakPolarHBondContact CB-O 3.4Å; I179-E203 HydrophobicContact CG2-CB 3.79Å; I179-E203 PolarHBondContact O-N 3.38Å; A199-E203 WeakPolarHBondContact CA-OE1 3.38Å; W200-E203 HydrophobicContact CD2-CG 3.88Å; W200-E203 HydrophobicContact CE3-CG 4.44Å; W200-E203 HydrophobicContact CG-CG 4.15Å; W200-E203 HydrophobicContact CZ2-CG 4.09Å; W200-E203 PolarHBondContact N-OE1 3.24Å; W200-E203 WeakPolarHBondContact O-CG 3.28Å; E203-D207 HydrophobicContact CB-CB 4.17Å; E203-D207 HydrophobicContact CG-CB 4.29Å; E203-F208 WeakPolarHBondContact OE2-CA 3.45Å
204	S	91.5	Very high	94.7	Very high	53 Å²	53	40 Å²	40	37%	0.371	21%	0.211	S	C	.	.			trans	-72.3	164.2	160.6	70.2	0	0	0	0	110.2	D206 D207 F208	S204-D206 PolarHBondContact O-N 3.04Å; S204-D207 WeakPolarHBondContact CB-OD2 3.44Å; S204-D207 PolarHBondContact N-OD2 2.82Å; S204-D207 PolarHBondContact O-N 2.91Å; S204-D207 VanDerWaalsContact O-N 3.16Å; S204-D207 WeakPolarHBondContact OG-CB 3.38Å; S204-D207 PolarHBondContact OG-N 2.64Å; S204-D207 VanDerWaalsContact OG-N 3.15Å; S204-D207 PolarHBondContact OG-OD2 3.13Å; S204-F208 PolarHBondContact O-N 2.99Å
205	E	88.8	Confident	94.6	Very high	151 Å²	151	37.8 Å²	37.8	71%	0.706	19%	0.188	S	C	*	.	H	α-helix	trans	-59.5	-36.4	175.4	-66.1	-172.9	173.1	0	0	112.1	F208 W209	E205-F208 WeakPolarHBondContact O-CB 3.14Å; E205-F208 PolarHBondContact O-N 2.93Å; E205-W209 PolarHBondContact O-N 3.17Å
206	D	94.1	Very high	94.4	Very high	128 Å²	128	37.2 Å²	37.2	68%	0.684	19%	0.185	S	C	*	.	H	α-helix	trans	-67.2	-39.9	176.4	-73.7	-22.4	0	0	0	111.8	S204 W210	S204-D206 PolarHBondContact O-N 3.04Å; D206-W210 VanDerWaalsContact O-CB 3.3Å; D206-W210 WeakPolarHBondContact O-CB 3.31Å; D206-W210 PolarHBondContact O-N 3.24Å
207	D	95.4	Very high	93.7	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-39.9	177	-66.5	-40.4	0	0	0	111.9	R92 W200 E203 S204 W209 W210 C211	R92-D207 WeakPolarHBondContact CD-OD1 3.23Å; R92-D207 IonicContact CZ-OD1 2.67Å; R92-D207 IonicContact NE-OD1 2.83Å; R92-D207 IonicContact NH1-OD1 2.68Å; R92-D207 PolarHBondContact NH1-OD1 3Å; W200-D207 HydrophobicContact CH2-CB 3.78Å; W200-D207 HydrophobicContact CZ2-CB 3.5Å; W200-D207 VanDerWaalsContact CZ2-CB 3.5Å; W200-D207 VanDerWaalsContact CZ2-CG 3.47Å; E203-D207 HydrophobicContact CB-CB 4.17Å; E203-D207 HydrophobicContact CG-CB 4.29Å; S204-D207 WeakPolarHBondContact CB-OD2 3.44Å; S204-D207 PolarHBondContact N-OD2 2.82Å; S204-D207 PolarHBondContact O-N 2.91Å; S204-D207 VanDerWaalsContact O-N 3.16Å; S204-D207 WeakPolarHBondContact OG-CB 3.38Å; S204-D207 PolarHBondContact OG-N 2.64Å; S204-D207 VanDerWaalsContact OG-N 3.15Å; S204-D207 PolarHBondContact OG-OD2 3.13Å; D207-W209 PolarHBondContact O-N 2.73Å; D207-W210 WeakPolarHBondContact O-CB 3.46Å; D207-W210 PolarHBondContact O-N 3.19Å; D207-C211 WeakPolarHBondContact O-CB 3.4Å; D207-C211 PolarHBondContact O-N 3.19Å; D207-C211 PolarHBondContact O-SG 3.39Å
208	F	94.6	Very high	92.9	Very high	16 Å²	16	43.5 Å²	43.5	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-52.6	176.7	174.8	-102.9	0	0	0	111.9	A176 I179 E203 S204 E205 W210 C211 I212 D232	A176-F208 VanDerWaalsContact O-CE2 3.27Å; A176-F208 WeakPolarHBondContact O-CE2 3.44Å; I179-F208 HydrophobicContact CG2-CB 3.9Å; I179-F208 HydrophobicContact CG2-CD2 4Å; I179-F208 HydrophobicContact CG2-CG 4.15Å; E203-F208 WeakPolarHBondContact OE2-CA 3.45Å; S204-F208 PolarHBondContact O-N 2.99Å; E205-F208 WeakPolarHBondContact O-CB 3.14Å; E205-F208 PolarHBondContact O-N 2.93Å; F208-W210 VanDerWaalsContact C-N 3.33Å; F208-W210 PolarHBondContact O-N 3.18Å; F208-C211 WeakPolarHBondContact O-CB 3.38Å; F208-C211 PolarHBondContact O-N 3.21Å; F208-I212 HydrophobicContact CD1-CD1 4.32Å; F208-I212 HydrophobicContact CE1-CD1 3.74Å; F208-I212 HydrophobicContact CE2-CD1 4.35Å; F208-I212 HydrophobicContact CZ-CD1 3.77Å; F208-I212 PolarHBondContact O-N 2.83Å; F208-D232 HydrophobicContact CZ-CB 4.46Å
209	W	95.9	Very high	92	Very high	79 Å²	79	51.1 Å²	51.1	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-34.9	177.9	-69.3	114.8	0	0	0	112.4	E205 D207 I212 D213 D232 W236	E205-W209 PolarHBondContact O-N 3.17Å; D207-W209 PolarHBondContact O-N 2.73Å; W209-I212 HydrophobicContact CE3-CD1 3.9Å; W209-I212 HydrophobicContact CZ3-CD1 3.93Å; W209-I212 PolarHBondContact O-N 3.38Å; W209-D213 WeakPolarHBondContact O-CB 3.25Å; W209-D213 PolarHBondContact O-N 2.66Å; W209-D232 HydrophobicContact CH2-CB 4.1Å; W209-D232 HydrophobicContact CZ3-CB 4.24Å; W209-W236 HydrophobicContact CB-CH2 3.86Å; W209-W236 HydrophobicContact CB-CZ2 4.35Å; W209-W236 HydrophobicContact CB-CZ3 4.12Å; W209-W236 AromaticContact CD2-CE3 3.93Å; W209-W236 HydrophobicContact CD2-CE3 3.93Å; W209-W236 HydrophobicContact CD2-CH2 4.32Å; W209-W236 AromaticContact CD2-CZ3 3.66Å; W209-W236 HydrophobicContact CD2-CZ3 3.66Å; W209-W236 AromaticContact CE3-CD2 3.81Å; W209-W236 HydrophobicContact CE3-CD2 3.81Å; W209-W236 AromaticContact CE3-CE3 3.17Å; W209-W236 HydrophobicContact CE3-CE3 3.17Å; W209-W236 HydrophobicContact CE3-CG 4.48Å; W209-W236 HydrophobicContact CE3-CH2 4.22Å; W209-W236 AromaticContact CE3-CZ3 3.41Å; W209-W236 HydrophobicContact CE3-CZ3 3.41Å; W209-W236 VanDerWaalsContact CE3-CZ3 3.41Å; W209-W236 HydrophobicContact CG-CH2 4.2Å; W209-W236 AromaticContact CG-CZ3 3.98Å; W209-W236 HydrophobicContact CG-CZ3 3.98Å; W209-W236 HydrophobicContact CH2-CE3 4.49Å; W209-W236 HydrophobicContact CZ3-CB 4.35Å; W209-W236 HydrophobicContact CZ3-CD2 4.21Å; W209-W236 AromaticContact CZ3-CE3 3.52Å; W209-W236 HydrophobicContact CZ3-CE3 3.52Å; W209-W236 HydrophobicContact CZ3-CZ3 4.11Å
210	W	96.3	Very high	91.1	Very high	52 Å²	52	55 Å²	55	20%	0.197	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-42.2	174.4	178.8	91.9	0	0	0	111.9	R92 C106 F198 W200 D206 D207 F208 D213 R214	R92-W210 HydrophobicContact CG-CE3 4.21Å; R92-W210 HydrophobicContact CG-CH2 4.13Å; R92-W210 HydrophobicContact CG-CZ2 4.48Å; R92-W210 HydrophobicContact CG-CZ3 3.99Å; C106-W210 HydrophobicContact CB-CH2 3.92Å; C106-W210 HydrophobicContact CB-CZ3 3.91Å; F198-W210 HydrophobicContact CD1-CH2 4.06Å; F198-W210 HydrophobicContact CD1-CZ3 4.04Å; W200-W210 HydrophobicContact CZ3-CZ3 4.39Å; D206-W210 VanDerWaalsContact O-CB 3.3Å; D206-W210 WeakPolarHBondContact O-CB 3.31Å; D206-W210 PolarHBondContact O-N 3.24Å; D207-W210 WeakPolarHBondContact O-CB 3.46Å; D207-W210 PolarHBondContact O-N 3.19Å; F208-W210 VanDerWaalsContact C-N 3.33Å; F208-W210 PolarHBondContact O-N 3.18Å; W210-D213 WeakPolarHBondContact O-CB 3.4Å; W210-D213 PolarHBondContact O-N 3.49Å; W210-R214 HydrophobicContact CD2-CG 3.91Å; W210-R214 HydrophobicContact CE3-CG 4.07Å; W210-R214 HydrophobicContact CH2-CG 3.81Å; W210-R214 HydrophobicContact CZ2-CG 3.63Å; W210-R214 HydrophobicContact CZ3-CG 4.02Å; W210-R214 WeakPolarHBondContact O-CG 3.46Å; W210-R214 PolarHBondContact O-N 3.47Å
211	C	97.1	Very high	90.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-46.8	176.9	-78.3	0	0	0	0	112	F198 W200 D207 F208 D213 R214 C215	F198-C211 VanDerWaalsContact C-SG 3.58Å; F198-C211 HydrophobicContact CB-CB 4.05Å; F198-C211 WeakPolarHBondContact O-CB 3.35Å; F198-C211 PolarHBondContact O-SG 3.36Å; F198-C211 VanDerWaalsContact O-SG 3.33Å; W200-C211 VanDerWaalsContact CZ3-SG 3.58Å; D207-C211 WeakPolarHBondContact O-CB 3.4Å; D207-C211 PolarHBondContact O-N 3.19Å; D207-C211 PolarHBondContact O-SG 3.39Å; F208-C211 WeakPolarHBondContact O-CB 3.38Å; F208-C211 PolarHBondContact O-N 3.21Å; C211-D213 VanDerWaalsContact C-N 3.34Å; C211-D213 PolarHBondContact O-N 2.94Å; C211-R214 PolarHBondContact O-N 2.94Å; C211-C215 PolarHBondContact O-SG 2.97Å
212	I	96.8	Very high	90.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-47.4	174.3	-66.1	173.3	0	0	0	110.1	S175 F208 W209 R214 C215 V216 D232 L233 W236	S175-I212 WeakPolarHBondContact OG-CG1 3.18Å; F208-I212 HydrophobicContact CD1-CD1 4.32Å; F208-I212 HydrophobicContact CE1-CD1 3.74Å; F208-I212 HydrophobicContact CE2-CD1 4.35Å; F208-I212 HydrophobicContact CZ-CD1 3.77Å; F208-I212 PolarHBondContact O-N 2.83Å; W209-I212 HydrophobicContact CE3-CD1 3.9Å; W209-I212 HydrophobicContact CZ3-CD1 3.93Å; W209-I212 PolarHBondContact O-N 3.38Å; I212-R214 VanDerWaalsContact C-N 3.33Å; I212-R214 PolarHBondContact O-N 2.83Å; I212-C215 WeakPolarHBondContact O-CB 3.42Å; I212-C215 PolarHBondContact O-N 2.66Å; I212-V216 WeakPolarHBondContact O-CG2 3.34Å; I212-D232 HydrophobicContact CD1-CB 4.32Å; I212-L233 HydrophobicContact CG2-CD1 3.86Å; I212-W236 HydrophobicContact CG2-CB 3.92Å; I212-W236 HydrophobicContact CG2-CG 3.84Å
213	D	95.6	Very high	91	Very high	20 Å²	20	52.2 Å²	52.2	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-43	-178.6	-158.1	69.8	0	0	0	113	W209 W210 C211 C215 V216 W236 K240 Y241	W209-D213 WeakPolarHBondContact O-CB 3.25Å; W209-D213 PolarHBondContact O-N 2.66Å; W210-D213 WeakPolarHBondContact O-CB 3.4Å; W210-D213 PolarHBondContact O-N 3.49Å; C211-D213 VanDerWaalsContact C-N 3.34Å; C211-D213 PolarHBondContact O-N 2.94Å; D213-C215 PolarHBondContact O-N 2.75Å; D213-C215 VanDerWaalsContact O-N 3.15Å; D213-V216 PolarHBondContact O-N 3.06Å; D213-W236 HydrophobicContact CB-CZ2 4.33Å; D213-W236 PolarHBondContact OD1-NE1 3.15Å; D213-K240 VanDerWaalsContact CG-NZ 3.25Å; D213-K240 WeakPolarHBondContact OD1-CD 3.48Å; D213-K240 WeakPolarHBondContact OD1-CE 3.4Å; D213-K240 IonicContact OD1-NZ 3.16Å; D213-K240 PolarHBondContact OD1-NZ 3.46Å; D213-K240 IonicContact OD2-NZ 3.85Å; D213-K240 PolarHBondContact OD2-NZ 3.09Å; D213-Y241 VanDerWaalsContact CG-OH 3.29Å; D213-Y241 WeakPolarHBondContact OD1-CE2 3.33Å; D213-Y241 PolarHBondContact OD1-OH 3.35Å; D213-Y241 PolarHBondContact OD2-OH 3.27Å
214	R	94.3	Very high	91.3	Very high	96 Å²	96	53.1 Å²	53.1	36%	0.362	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-16.7	176.7	-71.2	-66.1	117.8	150	2.4	113.6	R173 F198 W210 C211 I212	R173-R214 PolarHBondContact NE-O 2.91Å; R173-R214 PolarHBondContact NH2-O 2.9Å; F198-R214 HydrophobicContact CB-CB 4.41Å; F198-R214 HydrophobicContact CD1-CB 3.58Å; F198-R214 HydrophobicContact CD1-CG 3.87Å; F198-R214 HydrophobicContact CD2-CB 4.03Å; F198-R214 HydrophobicContact CE1-CB 3.79Å; F198-R214 HydrophobicContact CE1-CG 4.08Å; F198-R214 HydrophobicContact CE2-CB 4.24Å; F198-R214 HydrophobicContact CG-CB 3.72Å; F198-R214 HydrophobicContact CG-CG 4.44Å; F198-R214 HydrophobicContact CZ-CB 4.12Å; W210-R214 HydrophobicContact CD2-CG 3.91Å; W210-R214 HydrophobicContact CE3-CG 4.07Å; W210-R214 HydrophobicContact CH2-CG 3.81Å; W210-R214 HydrophobicContact CZ2-CG 3.63Å; W210-R214 HydrophobicContact CZ3-CG 4.02Å; W210-R214 WeakPolarHBondContact O-CG 3.46Å; W210-R214 PolarHBondContact O-N 3.47Å; C211-R214 PolarHBondContact O-N 2.94Å; I212-R214 VanDerWaalsContact C-N 3.33Å; I212-R214 PolarHBondContact O-N 2.83Å
215	C	95.1	Very high	91.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-92.4	-20.7	-180	-61.9	0	0	0	0	113.7	V149 R173 W174 F198 C211 I212 D213 W221	V149-C215 HydrophobicContact CG1-CB 3.58Å; V149-C215 WeakPolarHBondContact CG2-O 3.37Å; R173-C215 HydrophobicContact CB-CB 4.14Å; R173-C215 WeakPolarHBondContact CD-O 3.36Å; W174-C215 PolarHBondContact O-SG 3.09Å; W174-C215 VanDerWaalsContact O-SG 3.41Å; F198-C215 VanDerWaalsContact CD2-SG 3.58Å; C211-C215 PolarHBondContact O-SG 2.97Å; I212-C215 WeakPolarHBondContact O-CB 3.42Å; I212-C215 PolarHBondContact O-N 2.66Å; D213-C215 PolarHBondContact O-N 2.75Å; D213-C215 VanDerWaalsContact O-N 3.15Å; C215-W221 WeakPolarHBondContact O-CH2 3.5Å; C215-W221 WeakPolarHBondContact O-CZ3 3.49Å
216	V	91.6	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-88.7	-46.8	-163.7	171.4	0	0	0	0	115.6	I212 D213 W221 L233 V237 Y241 V244	I212-V216 WeakPolarHBondContact O-CG2 3.34Å; D213-V216 PolarHBondContact O-N 3.06Å; V216-W221 VanDerWaalsContact O-CZ3 3.24Å; V216-W221 WeakPolarHBondContact O-CZ3 3.33Å; V216-L233 HydrophobicContact CG2-CD1 3.67Å; V216-V237 HydrophobicContact CB-CG2 4.36Å; V216-V237 HydrophobicContact CG1-CG1 4.33Å; V216-V237 HydrophobicContact CG1-CG2 3.75Å; V216-V237 HydrophobicContact CG2-CG2 3.61Å; V216-Y241 HydrophobicContact CB-CD2 4.28Å; V216-Y241 HydrophobicContact CB-CE2 4.25Å; V216-Y241 HydrophobicContact CG1-CD1 4.45Å; V216-Y241 HydrophobicContact CG1-CD2 3.57Å; V216-Y241 HydrophobicContact CG1-CE2 4.01Å; V216-Y241 HydrophobicContact CG1-CG 3.81Å; V216-V244 HydrophobicContact CG1-CG1 4.37Å
217	N	81.6	Confident	92.3	Very high	69 Å²	69	37.4 Å²	37.4	37%	0.369	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	107.7	-175.3	-170.2	39.6	0	0	0	109.9	W221 Y241 V244	N217-W221 PolarHBondContact OD1-O 3.48Å; N217-Y241 HydrophobicContact CB-CD1 4.05Å; N217-Y241 HydrophobicContact CB-CE1 3.98Å; N217-V244 HydrophobicContact CB-CG2 4.05Å
218	M	82.8	Confident	92.4	Very high	67 Å²	67	36.5 Å²	36.5	33%	0.33	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164.6	178.7	-70.2	-166.1	66.5	0	0	109.7	R173 G220 W221	R173-M218 PolarHBondContact NH2-SD 3.27Å; M218-G220 PolarHBondContact O-N 2.94Å; M218-G220 VanDerWaalsContact O-N 3.12Å; M218-W221 PolarHBondContact N-O 2.87Å; M218-W221 VanDerWaalsContact N-O 3.13Å; M218-W221 CarbonylContact O-C 3.55Å; M218-W221 PolarHBondContact O-N 2.88Å
219	D	77.3	Confident	92.4	Very high	171 Å²	171	36.1 Å²	36.1	91%	0.914	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	121.3	-178.4	-68.5	-28.9	0	0	0	111.6	W221	D219-W221 PolarHBondContact O-N 3.14Å
220	G	79.8	Confident	92.1	Very high	83 Å²	83	32.4 Å²	32.4	86%	0.856	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	-0.8	-176.8	0	0	0	0	0	115.9	M218	M218-G220 PolarHBondContact O-N 2.94Å; M218-G220 VanDerWaalsContact O-N 3.12Å
221	W	88.6	Confident	91.9	Very high	25 Å²	25	30.1 Å²	30.1	10%	0.095	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.1	-178	-165.4	93.3	0	0	0	112.7	K147 V149 R173 C215 V216 N217 M218 D219 A223	K147-W221 HydrophobicContact CB-CZ2 3.87Å; V149-W221 HydrophobicContact CG2-CH2 3.35Å; V149-W221 HydrophobicContact CG2-CZ3 3.79Å; R173-W221 HydrophobicContact CB-CH2 4.44Å; R173-W221 HydrophobicContact CB-CZ2 4.37Å; R173-W221 VanDerWaalsContact CD-CZ2 3.46Å; R173-W221 HydrophobicContact CG-CD2 4.37Å; R173-W221 HydrophobicContact CG-CH2 4.05Å; R173-W221 HydrophobicContact CG-CZ2 3.62Å; C215-W221 WeakPolarHBondContact O-CH2 3.5Å; C215-W221 WeakPolarHBondContact O-CZ3 3.49Å; V216-W221 VanDerWaalsContact O-CZ3 3.24Å; V216-W221 WeakPolarHBondContact O-CZ3 3.33Å; N217-W221 PolarHBondContact OD1-O 3.48Å; M218-W221 PolarHBondContact N-O 2.87Å; M218-W221 VanDerWaalsContact N-O 3.13Å; M218-W221 CarbonylContact O-C 3.55Å; M218-W221 PolarHBondContact O-N 2.88Å; D219-W221 PolarHBondContact O-N 3.14Å; W221-A223 HydrophobicContact CH2-CB 3.71Å; W221-A223 HydrophobicContact CZ3-CB 3.76Å
222	Q	89.6	Confident	91.8	Very high	59 Å²	59	31.6 Å²	31.6	28%	0.276	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.8	177.5	174.9	160.3	60.8	0	0	109.4	K147 V244 K247	K147-Q222 WeakPolarHBondContact CD-O 3.45Å; Q222-V244 HydrophobicContact CG-CG1 4.34Å; Q222-K247 VanDerWaalsContact OE1-CD 3.24Å
223	A	94.6	Very high	91.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	18%	0.177	C	C	.	.			trans	-57.4	143.6	174.8	0	0	0	0	0	111.7	V149 W221 V244 I248	V149-A223 HydrophobicContact CG2-CB 3.52Å; W221-A223 HydrophobicContact CH2-CB 3.71Å; W221-A223 HydrophobicContact CZ3-CB 3.76Å; A223-V244 HydrophobicContact CB-CG1 4.18Å; A223-I248 HydrophobicContact CB-CD1 3.79Å
224	N	96.1	Very high	91.9	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	17%	0.173	C	C	.	.			trans	-129.6	-2.8	168.8	68.4	16.1	0	0	0	113.3	G145 K147 R249	G145-N224 PolarHBondContact O-ND2 2.95Å; K147-N224 PolarHBondContact N-OD1 3.22Å; K147-N224 PolarHBondContact O-N 3.5Å; K147-N224 PolarHBondContact O-OD1 3.23Å; N224-R249 WeakPolarHBondContact O-CB 3.35Å; N224-R249 PolarHBondContact O-N 3.33Å
225	M	98.2	Very high	91.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.4	175.4	-69.5	-62	-65.4	0	0	109.2	K147 I148 V149 R249 L466 L469 Y470	K147-M225 PolarHBondContact O-N 3.27Å; I148-M225 HydrophobicContact CB-CB 4.47Å; I148-M225 HydrophobicContact CG1-CB 3.91Å; V149-M225 PolarHBondContact N-O 3.34Å; M225-R249 HydrophobicContact SD-CB 3.74Å; M225-L466 HydrophobicContact CB-CD2 4.5Å; M225-L466 HydrophobicContact CE-CD2 3.73Å; M225-L469 HydrophobicContact CE-CB 3.87Å; M225-L469 HydrophobicContact CE-CD1 4.47Å; M225-Y470 HydrophobicContact CG-CD2 3.99Å; M225-Y470 HydrophobicContact SD-CD2 4.11Å
226	I	98.5	Very high	91.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134	175.7	-69.8	174.7	0	0	0	108.9	V149 D228 L233 V237 I248 G250 I251 V252	V149-I226 WeakPolarHBondContact O-CA 3.28Å; I226-D228 HydrophobicContact CG2-CB 3.92Å; I226-L233 HydrophobicContact CG2-CD2 3.78Å; I226-L233 HydrophobicContact CG2-CG 4.12Å; I226-V237 HydrophobicContact CD1-CB 4.31Å; I226-V237 HydrophobicContact CD1-CG1 4.45Å; I226-V237 HydrophobicContact CD1-CG2 4.13Å; I226-I248 HydrophobicContact CD1-CD1 4.24Å; I226-I248 HydrophobicContact CD1-CG1 4.06Å; I226-I248 HydrophobicContact CD1-CG2 4.38Å; I226-I248 HydrophobicContact CG1-CD1 4.09Å; I226-I248 HydrophobicContact CG1-CG1 4.38Å; I226-I248 HydrophobicContact CG1-CG2 4.33Å; I226-G250 PolarHBondContact N-O 3.39Å; I226-G250 VanDerWaalsContact N-O 3.08Å; I226-I251 HydrophobicContact CB-CB 4.46Å; I226-I251 HydrophobicContact CB-CG1 4.1Å; I226-I251 HydrophobicContact CB-CG2 4.35Å; I226-I251 HydrophobicContact CD1-CG1 4.25Å; I226-I251 HydrophobicContact CG2-CG2 4.01Å; I226-I251 CarbonylContact O-C 3.59Å; I226-V252 PolarHBondContact O-N 3.08Å
227	L	98.7	Very high	92.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.6	161.7	-178.9	66.9	0	0	0	108	I148 V149 G150 C151 T152 L161 W174 V252 Q462 L466	I148-L227 HydrophobicContact CG2-CB 4.35Å; V149-L227 PolarHBondContact O-N 2.84Å; G150-L227 CarbonylContact C-O 3.54Å; G150-L227 VanDerWaalsContact CA-O 3.28Å; G150-L227 WeakPolarHBondContact CA-O 3.16Å; C151-L227 PolarHBondContact N-O 2.87Å; T152-L227 HydrophobicContact CG2-CD2 4.43Å; T152-L227 HydrophobicContact CG2-CG 4.3Å; L161-L227 HydrophobicContact CD2-CD2 3.85Å; W174-L227 HydrophobicContact CH2-CD2 3.62Å; W174-L227 HydrophobicContact CZ2-CD2 3.74Å; L227-V252 WeakPolarHBondContact CA-O 3.33Å; L227-V252 HydrophobicContact CD1-CB 3.65Å; L227-V252 HydrophobicContact CD1-CG1 3.48Å; L227-V252 VanDerWaalsContact CD1-CG1 3.48Å; L227-Q462 HydrophobicContact CD1-CB 3.94Å; L227-Q462 HydrophobicContact CD1-CG 3.92Å; L227-Q462 HydrophobicContact CD2-CB 4.48Å; L227-L466 HydrophobicContact CB-CD1 4.48Å; L227-L466 HydrophobicContact CD1-CD1 4.46Å; L227-L466 HydrophobicContact CD2-CD1 4.29Å
228	D	98.1	Very high	92.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.3	-167.7	-152.4	-3.7	0	0	0	111.3	I226 G231 L233 T234 V252 E253 E254	I226-D228 HydrophobicContact CG2-CB 3.92Å; D228-G231 VanDerWaalsContact OD2-C 3.27Å; D228-G231 WeakPolarHBondContact OD2-CA 3.4Å; D228-L233 PolarHBondContact OD1-N 3Å; D228-L233 PolarHBondContact OD2-N 2.69Å; D228-T234 WeakPolarHBondContact OD2-CB 3.3Å; D228-T234 PolarHBondContact OD2-N 3.48Å; D228-T234 PolarHBondContact OD2-OG1 3.29Å; D228-V252 PolarHBondContact N-O 3.3Å; D228-E253 WeakPolarHBondContact CB-OE2 3.25Å; D228-E253 WeakPolarHBondContact O-CA 3.28Å; D228-E254 PolarHBondContact O-N 3.46Å
229	D	94.8	Very high	93.3	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.043	19%	0.189	C	C	.	.	S	Bend	trans	-137.6	101.1	175.1	176.2	8.2	0	0	0	108	C151 T152 H153 C177 E254 S255 H399	C151-D229 PolarHBondContact O-N 3.45Å; T152-D229 HydrophobicContact CG2-CB 4.05Å; H153-D229 IonicContact CD2-OD2 3.31Å; H153-D229 PolarHBondContact CD2-OD2 3.2Å; H153-D229 VanDerWaalsContact CD2-OD2 3.22Å; H153-D229 IonicContact NE2-OD2 3.46Å; H153-D229 PolarHBondContact NE2-OD2 3.03Å; C177-D229 HydrophobicContact CB-CB 4.49Å; C177-D229 VanDerWaalsContact CB-O 3.24Å; C177-D229 WeakPolarHBondContact CB-O 3.33Å; D229-E254 HydrophobicContact CB-CB 4.25Å; D229-S255 WeakPolarHBondContact OD1-CB 3.35Å; D229-H399 IonicContact OD1-CE1 2.75Å
230	G	88.8	Confident	94.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	108.1	-15.2	-177.7	0	0	0	0	0	113.4	E253 S255 R261	G230-E253 PolarHBondContact N-OE1 3.19Å; G230-S255 VanDerWaalsContact CA-OG 3.27Å; G230-S255 WeakPolarHBondContact CA-OG 3.43Å; G230-S255 PolarHBondContact N-OG 3.41Å; G230-R261 PolarHBondContact O-NH1 3.47Å
231	G	92.4	Very high	94.8	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	13%	0.134	C	C	.	.	S	Bend	trans	82.2	10.5	175.7	0	0	0	0	0	114.8	D228 H235 E253	D228-G231 VanDerWaalsContact OD2-C 3.27Å; D228-G231 WeakPolarHBondContact OD2-CA 3.4Å; G231-H235 WeakPolarHBondContact O-CB 3.5Å; G231-H235 PolarHBondContact O-N 3.47Å; G231-E253 WeakPolarHBondContact CA-OE2 3.32Å; G231-E253 PolarHBondContact N-OE2 3.3Å; G231-E253 VanDerWaalsContact N-OE2 3.13Å
232	D	94.6	Very high	95	Very high	32 Å²	32	32.1 Å²	32.1	17%	0.171	15%	0.15	C	C	.	.	H	α-helix	trans	-73.2	-39.5	-175.6	-74.9	-22.5	0	0	0	111.8	F208 W209 I212 H235 W236 R261	F208-D232 HydrophobicContact CZ-CB 4.46Å; W209-D232 HydrophobicContact CH2-CB 4.1Å; W209-D232 HydrophobicContact CZ3-CB 4.24Å; I212-D232 HydrophobicContact CD1-CB 4.32Å; D232-H235 PolarHBondContact O-N 2.95Å; D232-W236 WeakPolarHBondContact O-CB 3.4Å; D232-W236 PolarHBondContact O-N 3.33Å; D232-R261 IonicContact OD1-CZ 2.91Å; D232-R261 IonicContact OD1-NH1 2.65Å; D232-R261 PolarHBondContact OD1-NH1 3.33Å; D232-R261 IonicContact OD1-NH2 3.85Å
233	L	97	Very high	95.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-47.8	174.4	167.1	64	0	0	0	110.9	V149 C151 I212 V216 I226 D228 H235 W236 V237	V149-L233 HydrophobicContact CB-CD1 4.3Å; V149-L233 HydrophobicContact CB-CD2 3.87Å; V149-L233 HydrophobicContact CG1-CD1 3.62Å; V149-L233 HydrophobicContact CG1-CD2 3.54Å; V149-L233 HydrophobicContact CG1-CG 4.24Å; C151-L233 HydrophobicContact CB-CB 3.43Å; C151-L233 VanDerWaalsContact CB-CB 3.43Å; C151-L233 HydrophobicContact CB-CD2 3.69Å; C151-L233 HydrophobicContact CB-CG 4.15Å; I212-L233 HydrophobicContact CG2-CD1 3.86Å; V216-L233 HydrophobicContact CG2-CD1 3.67Å; I226-L233 HydrophobicContact CG2-CD2 3.78Å; I226-L233 HydrophobicContact CG2-CG 4.12Å; D228-L233 PolarHBondContact OD1-N 3Å; D228-L233 PolarHBondContact OD2-N 2.69Å; L233-H235 VanDerWaalsContact C-N 3.28Å; L233-H235 PolarHBondContact O-N 3.16Å; L233-W236 PolarHBondContact O-N 2.78Å; L233-W236 VanDerWaalsContact O-N 3.14Å; L233-V237 HydrophobicContact CD1-CG2 3.78Å; L233-V237 HydrophobicContact CG-CG2 4.43Å; L233-V237 VanDerWaalsContact O-CG2 3.28Å; L233-V237 WeakPolarHBondContact O-CG2 3.01Å; L233-V237 PolarHBondContact O-N 2.67Å
234	T	96.9	Very high	95.1	Very high	3 Å²	3	35 Å²	35	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-46.3	176.1	-63.4	0	0	0	0	110.5	D228 W236 Y238 F245 I251 L262	D228-T234 WeakPolarHBondContact OD2-CB 3.3Å; D228-T234 PolarHBondContact OD2-N 3.48Å; D228-T234 PolarHBondContact OD2-OG1 3.29Å; T234-W236 PolarHBondContact O-N 3.31Å; T234-Y238 WeakPolarHBondContact O-CB 3.43Å; T234-Y238 PolarHBondContact O-N 3.21Å; T234-F245 HydrophobicContact CG2-CE2 4.2Å; T234-I251 HydrophobicContact CG2-CD1 3.84Å; T234-L262 HydrophobicContact CG2-CD2 4.02Å
235	H	94.9	Very high	94.9	Very high	68 Å²	68	34 Å²	34	32%	0.315	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-44.6	176.8	-172.8	77.4	0	0	0	112.4	G231 D232 L233 Y238 K239	G231-H235 WeakPolarHBondContact O-CB 3.5Å; G231-H235 PolarHBondContact O-N 3.47Å; D232-H235 PolarHBondContact O-N 2.95Å; L233-H235 VanDerWaalsContact C-N 3.28Å; L233-H235 PolarHBondContact O-N 3.16Å; H235-Y238 PolarHBondContact O-N 3.32Å; H235-K239 WeakPolarHBondContact CE1-CE 3.43Å; H235-K239 PolarHBondContact CE1-NZ 3.43Å; H235-K239 VanDerWaalsContact CE1-NZ 3.25Å; H235-K239 VanDerWaalsContact NE2-CD 3.34Å; H235-K239 WeakPolarHBondContact NE2-CD 3.36Å; H235-K239 WeakPolarHBondContact NE2-CE 3.47Å; H235-K239 PolarHBondContact NE2-NZ 3.36Å; H235-K239 WeakPolarHBondContact O-CB 3.22Å; H235-K239 PolarHBondContact O-N 3.22Å
236	W	95.9	Very high	94.6	Very high	51 Å²	51	40.8 Å²	40.8	19%	0.193	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-49	-180	-167	-104.3	0	0	0	111.9	W209 I212 D213 D232 L233 T234 Y238 K239 K240 Y241	W209-W236 HydrophobicContact CB-CH2 3.86Å; W209-W236 HydrophobicContact CB-CZ2 4.35Å; W209-W236 HydrophobicContact CB-CZ3 4.12Å; W209-W236 AromaticContact CD2-CE3 3.93Å; W209-W236 HydrophobicContact CD2-CE3 3.93Å; W209-W236 HydrophobicContact CD2-CH2 4.32Å; W209-W236 AromaticContact CD2-CZ3 3.66Å; W209-W236 HydrophobicContact CD2-CZ3 3.66Å; W209-W236 AromaticContact CE3-CD2 3.81Å; W209-W236 HydrophobicContact CE3-CD2 3.81Å; W209-W236 AromaticContact CE3-CE3 3.17Å; W209-W236 HydrophobicContact CE3-CE3 3.17Å; W209-W236 HydrophobicContact CE3-CG 4.48Å; W209-W236 HydrophobicContact CE3-CH2 4.22Å; W209-W236 AromaticContact CE3-CZ3 3.41Å; W209-W236 HydrophobicContact CE3-CZ3 3.41Å; W209-W236 VanDerWaalsContact CE3-CZ3 3.41Å; W209-W236 HydrophobicContact CG-CH2 4.2Å; W209-W236 AromaticContact CG-CZ3 3.98Å; W209-W236 HydrophobicContact CG-CZ3 3.98Å; W209-W236 HydrophobicContact CH2-CE3 4.49Å; W209-W236 HydrophobicContact CZ3-CB 4.35Å; W209-W236 HydrophobicContact CZ3-CD2 4.21Å; W209-W236 AromaticContact CZ3-CE3 3.52Å; W209-W236 HydrophobicContact CZ3-CE3 3.52Å; W209-W236 HydrophobicContact CZ3-CZ3 4.11Å; I212-W236 HydrophobicContact CG2-CB 3.92Å; I212-W236 HydrophobicContact CG2-CG 3.84Å; D213-W236 HydrophobicContact CB-CZ2 4.33Å; D213-W236 PolarHBondContact OD1-NE1 3.15Å; D232-W236 WeakPolarHBondContact O-CB 3.4Å; D232-W236 PolarHBondContact O-N 3.33Å; L233-W236 PolarHBondContact O-N 2.78Å; L233-W236 VanDerWaalsContact O-N 3.14Å; T234-W236 PolarHBondContact O-N 3.31Å; W236-Y238 PolarHBondContact O-N 3.49Å; W236-K239 PolarHBondContact O-N 3Å; W236-K240 HydrophobicContact CH2-CD 4.37Å; W236-K240 HydrophobicContact CZ2-CD 3.57Å; W236-K240 WeakPolarHBondContact O-CB 3.36Å; W236-K240 PolarHBondContact O-N 3.24Å; W236-Y241 AromaticContact NE1-CE2 3.88Å
237	V	95.4	Very high	94.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-44.7	177.7	-177.3	0	0	0	0	110.4	V216 I226 L233 K239 Y241 V244 F245	V216-V237 HydrophobicContact CB-CG2 4.36Å; V216-V237 HydrophobicContact CG1-CG1 4.33Å; V216-V237 HydrophobicContact CG1-CG2 3.75Å; V216-V237 HydrophobicContact CG2-CG2 3.61Å; I226-V237 HydrophobicContact CD1-CB 4.31Å; I226-V237 HydrophobicContact CD1-CG1 4.45Å; I226-V237 HydrophobicContact CD1-CG2 4.13Å; L233-V237 HydrophobicContact CD1-CG2 3.78Å; L233-V237 HydrophobicContact CG-CG2 4.43Å; L233-V237 VanDerWaalsContact O-CG2 3.28Å; L233-V237 WeakPolarHBondContact O-CG2 3.01Å; L233-V237 PolarHBondContact O-N 2.67Å; V237-K239 PolarHBondContact O-N 3.33Å; V237-Y241 CarbonylContact O-C 3.59Å; V237-Y241 VanDerWaalsContact O-CA 3.27Å; V237-Y241 WeakPolarHBondContact O-CA 3.48Å; V237-Y241 PolarHBondContact O-N 2.94Å; V237-V244 HydrophobicContact CG1-CB 4.34Å; V237-V244 HydrophobicContact CG1-CG1 4.23Å; V237-F245 HydrophobicContact CB-CD2 4.28Å; V237-F245 HydrophobicContact CG1-CB 3.98Å; V237-F245 HydrophobicContact CG1-CD2 3.92Å; V237-F245 HydrophobicContact CG1-CG 4.46Å
238	Y	94.2	Very high	94.1	Very high	68 Å²	68	46.9 Å²	46.9	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-46.7	177.9	170.1	-100.8	0	0	0	112.3	T234 H235 W236 F245 L265 K270	T234-Y238 WeakPolarHBondContact O-CB 3.43Å; T234-Y238 PolarHBondContact O-N 3.21Å; H235-Y238 PolarHBondContact O-N 3.32Å; W236-Y238 PolarHBondContact O-N 3.49Å; Y238-F245 AromaticContact CD2-CD1 3.92Å; Y238-F245 HydrophobicContact CD2-CD1 3.92Å; Y238-F245 AromaticContact CD2-CE1 3.72Å; Y238-F245 HydrophobicContact CD2-CE1 3.72Å; Y238-F245 HydrophobicContact CD2-CZ 4.16Å; Y238-L265 HydrophobicContact CE1-CD2 4.39Å; Y238-K270 HydrophobicContact CE2-CB 4.4Å
239	K	94.1	Very high	93.9	Very high	140 Å²	140	53.3 Å²	53.3	61%	0.609	24%	0.242	S	C	*	.	H	α-helix	trans	-77.4	-47.5	-177.1	-80.1	-167.9	171.2	167.8	0	113.7	H235 W236 V237	H235-K239 WeakPolarHBondContact CE1-CE 3.43Å; H235-K239 PolarHBondContact CE1-NZ 3.43Å; H235-K239 VanDerWaalsContact CE1-NZ 3.25Å; H235-K239 VanDerWaalsContact NE2-CD 3.34Å; H235-K239 WeakPolarHBondContact NE2-CD 3.36Å; H235-K239 WeakPolarHBondContact NE2-CE 3.47Å; H235-K239 PolarHBondContact NE2-NZ 3.36Å; H235-K239 WeakPolarHBondContact O-CB 3.22Å; H235-K239 PolarHBondContact O-N 3.22Å; W236-K239 PolarHBondContact O-N 3Å; V237-K239 PolarHBondContact O-N 3.33Å
240	K	95.5	Very high	94	Very high	106 Å²	106	52.9 Å²	52.9	46%	0.461	24%	0.24	S	C	.	.	H	α-helix	trans	-95.2	-26.4	-168.7	-164.6	175.6	178.9	-170.4	0	112.9	D213 W236 P242	D213-K240 VanDerWaalsContact CG-NZ 3.25Å; D213-K240 WeakPolarHBondContact OD1-CD 3.48Å; D213-K240 WeakPolarHBondContact OD1-CE 3.4Å; D213-K240 IonicContact OD1-NZ 3.16Å; D213-K240 PolarHBondContact OD1-NZ 3.46Å; D213-K240 IonicContact OD2-NZ 3.85Å; D213-K240 PolarHBondContact OD2-NZ 3.09Å; W236-K240 HydrophobicContact CH2-CD 4.37Å; W236-K240 HydrophobicContact CZ2-CD 3.57Å; W236-K240 WeakPolarHBondContact O-CB 3.36Å; W236-K240 PolarHBondContact O-N 3.24Å; K240-P242 VanDerWaalsContact C-CD 3.43Å
241	Y	94.4	Very high	94.5	Very high	42 Å²	42	52.9 Å²	52.9	17%	0.165	24%	0.239	C	C	.	.			trans	-128.5	56.8	-175.7	-60.3	-82.5	0	0	0	113	D213 V216 N217 W236 V237 N243 V244 F245	D213-Y241 VanDerWaalsContact CG-OH 3.29Å; D213-Y241 WeakPolarHBondContact OD1-CE2 3.33Å; D213-Y241 PolarHBondContact OD1-OH 3.35Å; D213-Y241 PolarHBondContact OD2-OH 3.27Å; V216-Y241 HydrophobicContact CB-CD2 4.28Å; V216-Y241 HydrophobicContact CB-CE2 4.25Å; V216-Y241 HydrophobicContact CG1-CD1 4.45Å; V216-Y241 HydrophobicContact CG1-CD2 3.57Å; V216-Y241 HydrophobicContact CG1-CE2 4.01Å; V216-Y241 HydrophobicContact CG1-CG 3.81Å; N217-Y241 HydrophobicContact CB-CD1 4.05Å; N217-Y241 HydrophobicContact CB-CE1 3.98Å; W236-Y241 AromaticContact NE1-CE2 3.88Å; V237-Y241 CarbonylContact O-C 3.59Å; V237-Y241 VanDerWaalsContact O-CA 3.27Å; V237-Y241 WeakPolarHBondContact O-CA 3.48Å; V237-Y241 PolarHBondContact O-N 2.94Å; Y241-N243 PolarHBondContact O-N 3.29Å; Y241-V244 HydrophobicContact CD1-CG2 4.33Å; Y241-V244 HydrophobicContact CG-CG2 4.43Å; Y241-V244 WeakPolarHBondContact O-CA 3.28Å; Y241-V244 WeakPolarHBondContact O-CB 3.23Å; Y241-V244 PolarHBondContact O-N 3.13Å; Y241-F245 PolarHBondContact O-N 3.01Å
242	P	92.9	Very high	94.8	Very high	64 Å²	64	52.7 Å²	52.7	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-58.8	-29.4	-175.1	24	-35.1	0	0	0	113.5	K240 K246	K240-P242 VanDerWaalsContact C-CD 3.43Å; P242-K246 WeakPolarHBondContact O-CG 3.21Å; P242-K246 PolarHBondContact O-N 3.04Å
243	N	91.8	Very high	95	Very high	116 Å²	116	51.1 Å²	51.1	62%	0.62	23%	0.229	S	C	*	.	H	α-helix	trans	-72.8	-31.3	175.9	-67.4	-28.2	0	0	0	113.1	Y241	Y241-N243 PolarHBondContact O-N 3.29Å
244	V	92.9	Very high	94.8	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-74.2	-45.3	172.4	179.7	0	0	0	0	108.8	V216 N217 Q222 A223 V237 Y241 K246 K247 I248	V216-V244 HydrophobicContact CG1-CG1 4.37Å; N217-V244 HydrophobicContact CB-CG2 4.05Å; Q222-V244 HydrophobicContact CG-CG1 4.34Å; A223-V244 HydrophobicContact CB-CG1 4.18Å; V237-V244 HydrophobicContact CG1-CB 4.34Å; V237-V244 HydrophobicContact CG1-CG1 4.23Å; Y241-V244 HydrophobicContact CD1-CG2 4.33Å; Y241-V244 HydrophobicContact CG-CG2 4.43Å; Y241-V244 WeakPolarHBondContact O-CA 3.28Å; Y241-V244 WeakPolarHBondContact O-CB 3.23Å; Y241-V244 PolarHBondContact O-N 3.13Å; V244-K246 VanDerWaalsContact C-N 3.28Å; V244-K246 PolarHBondContact O-N 2.9Å; V244-K247 WeakPolarHBondContact O-CA 3.48Å; V244-K247 WeakPolarHBondContact O-CB 3.27Å; V244-K247 PolarHBondContact O-N 3.2Å; V244-I248 HydrophobicContact CG1-CD1 4.37Å; V244-I248 PolarHBondContact O-N 3.29Å
245	F	93.5	Very high	94.4	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.013	24%	0.236	C	C	.	.	H	α-helix	trans	-52.9	-44.4	-179.9	-166.4	-109.4	0	0	0	112.4	T234 V237 Y238 Y241 K247 I248 I251 L271 C272 V273	T234-F245 HydrophobicContact CG2-CE2 4.2Å; V237-F245 HydrophobicContact CB-CD2 4.28Å; V237-F245 HydrophobicContact CG1-CB 3.98Å; V237-F245 HydrophobicContact CG1-CD2 3.92Å; V237-F245 HydrophobicContact CG1-CG 4.46Å; Y238-F245 AromaticContact CD2-CD1 3.92Å; Y238-F245 HydrophobicContact CD2-CD1 3.92Å; Y238-F245 AromaticContact CD2-CE1 3.72Å; Y238-F245 HydrophobicContact CD2-CE1 3.72Å; Y238-F245 HydrophobicContact CD2-CZ 4.16Å; Y241-F245 PolarHBondContact O-N 3.01Å; F245-K247 PolarHBondContact O-N 2.67Å; F245-I248 WeakPolarHBondContact O-CB 3.44Å; F245-I248 PolarHBondContact O-N 3.39Å; F245-I251 HydrophobicContact CE2-CD1 3.99Å; F245-I251 HydrophobicContact CZ-CD1 4.22Å; F245-L271 HydrophobicContact CZ-CD1 4.37Å; F245-C272 HydrophobicContact CD1-CB 4.05Å; F245-C272 HydrophobicContact CE1-CB 3.89Å; F245-V273 HydrophobicContact CZ-CG2 4.3Å; F245-V273 WeakPolarHBondContact O-CG1 3.38Å
246	K	91.3	Very high	93.9	Very high	144 Å²	144	53.6 Å²	53.6	63%	0.626	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.2	176.5	-72.2	174.4	-177.6	-179.9	0	114.8	P242 V244	P242-K246 WeakPolarHBondContact O-CG 3.21Å; P242-K246 PolarHBondContact O-N 3.04Å; V244-K246 VanDerWaalsContact C-N 3.28Å; V244-K246 PolarHBondContact O-N 2.9Å
247	K	91.1	Very high	93.3	Very high	122 Å²	122	53.1 Å²	53.1	53%	0.53	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.2	179.2	-63.4	-177	-172.9	-172.9	0	113	Q222 V244 F245 R249	Q222-K247 VanDerWaalsContact OE1-CD 3.24Å; V244-K247 WeakPolarHBondContact O-CA 3.48Å; V244-K247 WeakPolarHBondContact O-CB 3.27Å; V244-K247 PolarHBondContact O-N 3.2Å; F245-K247 PolarHBondContact O-N 2.67Å; K247-R249 PolarHBondContact O-N 3.16Å
248	I	95	Very high	93.1	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.036	25%	0.25	C	C	.	.			trans	-62.3	135.9	170.4	-61	-59.6	0	0	0	108	A223 I226 V244 F245 G250 I251 V273	A223-I248 HydrophobicContact CB-CD1 3.79Å; I226-I248 HydrophobicContact CD1-CD1 4.24Å; I226-I248 HydrophobicContact CD1-CG1 4.06Å; I226-I248 HydrophobicContact CD1-CG2 4.38Å; I226-I248 HydrophobicContact CG1-CD1 4.09Å; I226-I248 HydrophobicContact CG1-CG1 4.38Å; I226-I248 HydrophobicContact CG1-CG2 4.33Å; V244-I248 HydrophobicContact CG1-CD1 4.37Å; V244-I248 PolarHBondContact O-N 3.29Å; F245-I248 WeakPolarHBondContact O-CB 3.44Å; F245-I248 PolarHBondContact O-N 3.39Å; I248-G250 VanDerWaalsContact CG2-O 3.26Å; I248-G250 WeakPolarHBondContact CG2-O 3.46Å; I248-I251 HydrophobicContact CG2-CG1 4.27Å; I248-V273 HydrophobicContact CB-CG1 4.11Å; I248-V273 HydrophobicContact CB-CG2 4.46Å; I248-V273 HydrophobicContact CG2-CG2 4.21Å; I248-V273 WeakPolarHBondContact O-CG1 3.45Å
249	R	95.3	Very high	93.1	Very high	135 Å²	135	50.1 Å²	50.1	51%	0.509	24%	0.239	S	C	.	.			trans	-88.9	-27.7	177.5	-68.2	-175.1	173.7	-162	-1.9	112.1	N224 M225 K247 P274	N224-R249 WeakPolarHBondContact O-CB 3.35Å; N224-R249 PolarHBondContact O-N 3.33Å; M225-R249 HydrophobicContact SD-CB 3.74Å; K247-R249 PolarHBondContact O-N 3.16Å; R249-P274 WeakPolarHBondContact O-CD 3.3Å; R249-P274 WeakPolarHBondContact O-CG 3.5Å
250	G	96.9	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	153.3	179.5	0	0	0	0	0	113.4	I226 I248 P274	I226-G250 PolarHBondContact N-O 3.39Å; I226-G250 VanDerWaalsContact N-O 3.08Å; I248-G250 VanDerWaalsContact CG2-O 3.26Å; I248-G250 WeakPolarHBondContact CG2-O 3.46Å; G250-P274 VanDerWaalsContact CA-O 3.32Å; G250-P274 WeakPolarHBondContact CA-O 3.48Å
251	I	98.5	Very high	92.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.2	173.8	-60.2	164	0	0	0	107.9	I226 T234 F245 I248 L262 L271 V273 P274 A275 M276 L469	I226-I251 HydrophobicContact CB-CB 4.46Å; I226-I251 HydrophobicContact CB-CG1 4.1Å; I226-I251 HydrophobicContact CB-CG2 4.35Å; I226-I251 HydrophobicContact CD1-CG1 4.25Å; I226-I251 HydrophobicContact CG2-CG2 4.01Å; I226-I251 CarbonylContact O-C 3.59Å; T234-I251 HydrophobicContact CG2-CD1 3.84Å; F245-I251 HydrophobicContact CE2-CD1 3.99Å; F245-I251 HydrophobicContact CZ-CD1 4.22Å; I248-I251 HydrophobicContact CG2-CG1 4.27Å; I251-L262 HydrophobicContact CD1-CD2 4.17Å; I251-L262 HydrophobicContact CG2-CD1 4.39Å; I251-L262 HydrophobicContact CG2-CD2 4.41Å; I251-L271 HydrophobicContact CD1-CD1 4.2Å; I251-V273 HydrophobicContact CD1-CG2 3.45Å; I251-V273 VanDerWaalsContact CD1-CG2 3.45Å; I251-V273 HydrophobicContact CG1-CG2 3.81Å; I251-P274 PolarHBondContact N-O 3.08Å; I251-A275 HydrophobicContact CB-CB 4Å; I251-A275 HydrophobicContact CG2-CB 4.5Å; I251-A275 CarbonylContact O-C 3.53Å; I251-A275 WeakPolarHBondContact O-CA 2.96Å; I251-M276 PolarHBondContact O-N 2.87Å; I251-L469 WeakPolarHBondContact O-CD1 3.34Å
252	V	98.6	Very high	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.9	168.5	177.2	0	0	0	0	107.5	I226 L227 D228 M276 V278 Q462 A465 L466 L469	I226-V252 PolarHBondContact O-N 3.08Å; L227-V252 WeakPolarHBondContact CA-O 3.33Å; L227-V252 HydrophobicContact CD1-CB 3.65Å; L227-V252 HydrophobicContact CD1-CG1 3.48Å; L227-V252 VanDerWaalsContact CD1-CG1 3.48Å; D228-V252 PolarHBondContact N-O 3.3Å; V252-M276 HydrophobicContact CG2-CB 4.29Å; V252-V278 HydrophobicContact CG1-CB 4.29Å; V252-V278 HydrophobicContact CG1-CG2 3.47Å; V252-V278 VanDerWaalsContact CG1-CG2 3.47Å; V252-Q462 HydrophobicContact CG1-CG 4.47Å; V252-A465 HydrophobicContact CG1-CB 3.84Å; V252-A465 HydrophobicContact CG2-CB 3.81Å; V252-L466 HydrophobicContact CB-CD2 4.31Å; V252-L466 HydrophobicContact CB-CG 4.44Å; V252-L466 HydrophobicContact CG2-CD2 3.76Å; V252-L466 HydrophobicContact CG2-CG 3.88Å; V252-L469 HydrophobicContact CG2-CD1 3.8Å
253	E	97.8	Very high	92.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	-177.2	171	64.5	-129.7	0	0	111.4	D228 G230 G231 S255 G258 V259 L262 M276 V278 N279	D228-E253 WeakPolarHBondContact CB-OE2 3.25Å; D228-E253 WeakPolarHBondContact O-CA 3.28Å; G230-E253 PolarHBondContact N-OE1 3.19Å; G231-E253 WeakPolarHBondContact CA-OE2 3.32Å; G231-E253 PolarHBondContact N-OE2 3.3Å; G231-E253 VanDerWaalsContact N-OE2 3.13Å; E253-S255 WeakPolarHBondContact OE1-CB 3.02Å; E253-S255 PolarHBondContact OE1-N 2.99Å; E253-S255 PolarHBondContact OE1-OG 2.8Å; E253-G258 VanDerWaalsContact CD-CA 3.46Å; E253-V259 HydrophobicContact CB-CG2 4.31Å; E253-V259 HydrophobicContact CG-CB 4.49Å; E253-V259 HydrophobicContact CG-CG2 3.72Å; E253-L262 HydrophobicContact CB-CD1 3.52Å; E253-L262 HydrophobicContact CG-CD1 3.96Å; E253-M276 PolarHBondContact N-O 2.86Å; E253-V278 WeakPolarHBondContact O-CB 3.14Å; E253-V278 PolarHBondContact O-N 2.82Å; E253-N279 PolarHBondContact O-N 2.62Å
254	E	93.1	Very high	92.9	Very high	26 Å²	26	46.3 Å²	46.3	12%	0.121	21%	0.21	C	C	.	.			trans	-90.4	-30.2	-172.9	-167	-168.5	145.8	0	0	114.2	D228 D229 N279 K284 T458 Q462	D228-E254 PolarHBondContact O-N 3.46Å; D229-E254 HydrophobicContact CB-CB 4.25Å; E254-N279 VanDerWaalsContact O-CA 3.25Å; E254-N279 WeakPolarHBondContact O-CA 2.99Å; E254-N279 WeakPolarHBondContact O-CB 3.5Å; E254-N279 PolarHBondContact O-OD1 3.31Å; E254-K284 WeakPolarHBondContact O-CE 3.41Å; E254-K284 PolarHBondContact O-NZ 3.32Å; E254-K284 VanDerWaalsContact O-NZ 3.08Å; E254-T458 HydrophobicContact CG-CG2 3.88Å; E254-Q462 PolarHBondContact OE2-NE2 2.99Å
255	S	88.7	Confident	93	Very high	5 Å²	5	47.6 Å²	47.6	4%	0.035	22%	0.216	C	C	.	.	S	Bend	trans	-103	151.9	-165	78	0	0	0	0	113.5	D229 G230 E253 T257 G258 V259	D229-S255 WeakPolarHBondContact OD1-CB 3.35Å; G230-S255 VanDerWaalsContact CA-OG 3.27Å; G230-S255 WeakPolarHBondContact CA-OG 3.43Å; G230-S255 PolarHBondContact N-OG 3.41Å; E253-S255 WeakPolarHBondContact OE1-CB 3.02Å; E253-S255 PolarHBondContact OE1-N 2.99Å; E253-S255 PolarHBondContact OE1-OG 2.8Å; S255-T257 VanDerWaalsContact C-N 3.25Å; S255-T257 PolarHBondContact O-N 3.4Å; S255-G258 PolarHBondContact O-N 3.08Å; S255-G258 PolarHBondContact OG-N 3.26Å; S255-V259 WeakPolarHBondContact O-CB 3.17Å; S255-V259 WeakPolarHBondContact O-CG2 3.24Å; S255-V259 PolarHBondContact O-N 3.49Å
256	V	85.6	Confident	93.1	Very high	92 Å²	92	48.6 Å²	48.6	56%	0.558	22%	0.224	S	C	*	.	H	α-helix	trans	-54.8	-44.3	171.5	179.3	0	0	0	0	111	H260 N279	V256-H260 WeakPolarHBondContact O-CB 3.45Å; V256-H260 PolarHBondContact O-N 3.43Å; V256-N279 VanDerWaalsContact CG2-ND2 3.33Å; V256-N279 WeakPolarHBondContact CG2-ND2 3.21Å; V256-N279 WeakPolarHBondContact CG2-OD1 3.18Å; V256-N279 PolarHBondContact N-OD1 2.87Å
257	T	83.6	Confident	93.2	Very high	41 Å²	41	50.5 Å²	50.5	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-65	-48.6	-176.4	-54.6	0	0	0	0	111.7	S255 H260 R261 H399	S255-T257 VanDerWaalsContact C-N 3.25Å; S255-T257 PolarHBondContact O-N 3.4Å; T257-H260 PolarHBondContact O-N 2.92Å; T257-R261 WeakPolarHBondContact O-CG 3.27Å; T257-R261 PolarHBondContact O-N 3.39Å; T257-R261 VanDerWaalsContact O-N 3.11Å; T257-H399 PolarHBondContact OG1-CD2 3.11Å
258	G	90.1	Very high	93.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-40.3	179.2	0	0	0	0	0	112	E253 S255 H260 R261 L262	E253-G258 VanDerWaalsContact CD-CA 3.46Å; S255-G258 PolarHBondContact O-N 3.08Å; S255-G258 PolarHBondContact OG-N 3.26Å; G258-H260 VanDerWaalsContact C-N 3.32Å; G258-H260 PolarHBondContact O-N 2.84Å; G258-R261 WeakPolarHBondContact O-CB 3.48Å; G258-R261 PolarHBondContact O-N 3.09Å; G258-R261 VanDerWaalsContact O-N 3.13Å; G258-L262 WeakPolarHBondContact O-CG 3.35Å; G258-L262 PolarHBondContact O-N 3.41Å
259	V	93.6	Very high	93.4	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-43.6	174.3	166.7	0	0	0	0	111	E253 S255 R261 L262 Y263 N277 N279	E253-V259 HydrophobicContact CB-CG2 4.31Å; E253-V259 HydrophobicContact CG-CB 4.49Å; E253-V259 HydrophobicContact CG-CG2 3.72Å; S255-V259 WeakPolarHBondContact O-CB 3.17Å; S255-V259 WeakPolarHBondContact O-CG2 3.24Å; S255-V259 PolarHBondContact O-N 3.49Å; V259-R261 VanDerWaalsContact C-N 3.32Å; V259-R261 PolarHBondContact O-N 3.01Å; V259-L262 WeakPolarHBondContact O-CB 3.2Å; V259-L262 PolarHBondContact O-N 3.44Å; V259-L262 VanDerWaalsContact O-N 3.15Å; V259-Y263 HydrophobicContact CG1-CD2 3.66Å; V259-Y263 HydrophobicContact CG1-CE2 3.34Å; V259-Y263 WeakPolarHBondContact O-CD2 3.33Å; V259-Y263 PolarHBondContact O-N 3.33Å; V259-N277 HydrophobicContact CG1-CB 4.29Å; V259-N277 VanDerWaalsContact CG1-ND2 3.34Å; V259-N277 WeakPolarHBondContact CG1-ND2 3.5Å; V259-N277 HydrophobicContact CG2-CB 4.06Å; V259-N277 VanDerWaalsContact CG2-OD1 3.28Å; V259-N277 WeakPolarHBondContact CG2-OD1 3.27Å; V259-N279 HydrophobicContact CG2-CB 3.92Å
260	H	90.2	Very high	93.2	Very high	111 Å²	111	49.2 Å²	49.2	51%	0.514	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-41.3	176.8	-179.4	-103.3	0	0	0	111.9	V256 T257 G258 L262 Y263 Q264	V256-H260 WeakPolarHBondContact O-CB 3.45Å; V256-H260 PolarHBondContact O-N 3.43Å; T257-H260 PolarHBondContact O-N 2.92Å; G258-H260 VanDerWaalsContact C-N 3.32Å; G258-H260 PolarHBondContact O-N 2.84Å; H260-L262 VanDerWaalsContact C-N 3.35Å; H260-L262 PolarHBondContact O-N 2.96Å; H260-Y263 PolarHBondContact O-N 2.75Å; H260-Q264 PolarHBondContact CE1-NE2 3Å; H260-Q264 WeakPolarHBondContact O-CG 3.49Å; H260-Q264 PolarHBondContact O-N 3.27Å
261	R	91.1	Very high	93.1	Very high	92 Å²	92	49.3 Å²	49.3	35%	0.347	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-39.4	173.7	-67.9	170	176.3	-170.2	-2.3	111.8	G230 D232 T257 G258 V259 Q264 L265	G230-R261 PolarHBondContact O-NH1 3.47Å; D232-R261 IonicContact OD1-CZ 2.91Å; D232-R261 IonicContact OD1-NH1 2.65Å; D232-R261 PolarHBondContact OD1-NH1 3.33Å; D232-R261 IonicContact OD1-NH2 3.85Å; T257-R261 WeakPolarHBondContact O-CG 3.27Å; T257-R261 PolarHBondContact O-N 3.39Å; T257-R261 VanDerWaalsContact O-N 3.11Å; G258-R261 WeakPolarHBondContact O-CB 3.48Å; G258-R261 PolarHBondContact O-N 3.09Å; G258-R261 VanDerWaalsContact O-N 3.13Å; V259-R261 VanDerWaalsContact C-N 3.32Å; V259-R261 PolarHBondContact O-N 3.01Å; R261-Q264 WeakPolarHBondContact O-CB 3.28Å; R261-Q264 PolarHBondContact O-N 2.93Å; R261-L265 PolarHBondContact O-N 2.88Å
262	L	96.3	Very high	92.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-44	175.1	-72.7	171.4	0	0	0	112.2	T234 I251 E253 G258 V259 H260 Q264 L265 S266 L271 A275 V481	T234-L262 HydrophobicContact CG2-CD2 4.02Å; I251-L262 HydrophobicContact CD1-CD2 4.17Å; I251-L262 HydrophobicContact CG2-CD1 4.39Å; I251-L262 HydrophobicContact CG2-CD2 4.41Å; E253-L262 HydrophobicContact CB-CD1 3.52Å; E253-L262 HydrophobicContact CG-CD1 3.96Å; G258-L262 WeakPolarHBondContact O-CG 3.35Å; G258-L262 PolarHBondContact O-N 3.41Å; V259-L262 WeakPolarHBondContact O-CB 3.2Å; V259-L262 PolarHBondContact O-N 3.44Å; V259-L262 VanDerWaalsContact O-N 3.15Å; H260-L262 VanDerWaalsContact C-N 3.35Å; H260-L262 PolarHBondContact O-N 2.96Å; L262-Q264 VanDerWaalsContact C-N 3.28Å; L262-Q264 PolarHBondContact O-N 3.43Å; L262-L265 PolarHBondContact O-N 3.19Å; L262-L265 VanDerWaalsContact O-N 3.15Å; L262-S266 PolarHBondContact O-N 3.08Å; L262-L271 HydrophobicContact CD2-CD1 4.13Å; L262-A275 HydrophobicContact CD1-CB 3.82Å; L262-A275 HydrophobicContact CD2-CB 4.12Å; L262-A275 HydrophobicContact CG-CB 4.5Å; L262-V481 HydrophobicContact CB-CG2 3.8Å
263	Y	95.4	Very high	92.4	Very high	74 Å²	74	51.6 Å²	51.6	29%	0.29	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-35.6	174.5	-78.5	-57	0	0	0	112.5	V259 H260 S266 K267 N277 V481	V259-Y263 HydrophobicContact CG1-CD2 3.66Å; V259-Y263 HydrophobicContact CG1-CE2 3.34Å; V259-Y263 WeakPolarHBondContact O-CD2 3.33Å; V259-Y263 PolarHBondContact O-N 3.33Å; H260-Y263 PolarHBondContact O-N 2.75Å; Y263-S266 PolarHBondContact O-N 2.99Å; Y263-K267 WeakPolarHBondContact O-CB 3.39Å; Y263-K267 VanDerWaalsContact O-CG 3.31Å; Y263-K267 WeakPolarHBondContact O-CG 3.43Å; Y263-K267 PolarHBondContact O-N 3.43Å; Y263-N277 PolarHBondContact OH-ND2 3.04Å; Y263-V481 HydrophobicContact CD1-CB 3.91Å; Y263-V481 HydrophobicContact CD1-CG1 4.34Å; Y263-V481 HydrophobicContact CD1-CG2 3.96Å; Y263-V481 HydrophobicContact CE1-CB 3.55Å; Y263-V481 HydrophobicContact CE1-CG1 3.79Å; Y263-V481 HydrophobicContact CE1-CG2 4.14Å; Y263-V481 HydrophobicContact CE2-CG1 4.3Å; Y263-V481 HydrophobicContact CG-CG2 4.48Å
264	Q	93.2	Very high	92.3	Very high	108 Å²	108	52.5 Å²	52.5	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-42.2	173.3	-70.7	176.9	-17.5	0	0	111.8	H260 R261 L262 A268	H260-Q264 PolarHBondContact CE1-NE2 3Å; H260-Q264 WeakPolarHBondContact O-CG 3.49Å; H260-Q264 PolarHBondContact O-N 3.27Å; R261-Q264 WeakPolarHBondContact O-CB 3.28Å; R261-Q264 PolarHBondContact O-N 2.93Å; L262-Q264 VanDerWaalsContact C-N 3.28Å; L262-Q264 PolarHBondContact O-N 3.43Å; Q264-A268 VanDerWaalsContact O-CB 3.26Å; Q264-A268 WeakPolarHBondContact O-CB 3.27Å; Q264-A268 PolarHBondContact O-N 3.17Å; Q264-A268 VanDerWaalsContact O-N 3.09Å
265	L	93.6	Very high	92.6	Very high	30 Å²	30	51.3 Å²	51.3	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.3	-70.6	173.7	0	0	0	111.9	Y238 R261 L262 A268 G269 K270 L271	Y238-L265 HydrophobicContact CE1-CD2 4.39Å; R261-L265 PolarHBondContact O-N 2.88Å; L262-L265 PolarHBondContact O-N 3.19Å; L262-L265 VanDerWaalsContact O-N 3.15Å; L265-A268 PolarHBondContact O-N 3.32Å; L265-G269 PolarHBondContact O-N 3.34Å; L265-K270 HydrophobicContact CD2-CB 3.99Å; L265-K270 PolarHBondContact O-N 2.9Å; L265-L271 HydrophobicContact CB-CB 4.03Å; L265-L271 PolarHBondContact O-N 3.01Å
266	S	95.6	Very high	93	Very high	25 Å²	25	51 Å²	51	18%	0.175	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-52.5	177	173.1	0	0	0	0	111.4	L262 Y263 A268 G269 D480	L262-S266 PolarHBondContact O-N 3.08Å; Y263-S266 PolarHBondContact O-N 2.99Å; S266-A268 PolarHBondContact O-N 2.69Å; S266-A268 VanDerWaalsContact O-N 3.16Å; S266-G269 PolarHBondContact O-N 2.84Å; S266-D480 WeakPolarHBondContact CB-OD1 3.48Å; S266-D480 PolarHBondContact OG-OD1 3.43Å
267	K	94.9	Very high	93.5	Very high	184 Å²	184	46.7 Å²	46.7	80%	0.8	25%	0.248	S	C	*	.	H	α-helix	trans	-58.6	-31.4	177.6	-74.4	177.6	-179.7	178.3	0	113.2	Y263 G269	Y263-K267 WeakPolarHBondContact O-CB 3.39Å; Y263-K267 VanDerWaalsContact O-CG 3.31Å; Y263-K267 WeakPolarHBondContact O-CG 3.43Å; Y263-K267 PolarHBondContact O-N 3.43Å; K267-G269 VanDerWaalsContact C-N 3.3Å
268	A	94.9	Very high	94.1	Very high	60 Å²	60	44.7 Å²	44.7	50%	0.496	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.4	176.8	0	0	0	0	0	114	Q264 L265 S266 K270	Q264-A268 VanDerWaalsContact O-CB 3.26Å; Q264-A268 WeakPolarHBondContact O-CB 3.27Å; Q264-A268 PolarHBondContact O-N 3.17Å; Q264-A268 VanDerWaalsContact O-N 3.09Å; L265-A268 PolarHBondContact O-N 3.32Å; S266-A268 PolarHBondContact O-N 2.69Å; S266-A268 VanDerWaalsContact O-N 3.16Å; A268-K270 HydrophobicContact CB-CB 4.47Å; A268-K270 HydrophobicContact CB-CD 4.02Å; A268-K270 HydrophobicContact CB-CG 4.11Å; A268-K270 PolarHBondContact O-N 3.08Å
269	G	93.6	Very high	94.3	Very high	68 Å²	68	44.9 Å²	44.9	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	23.6	-174.7	0	0	0	0	0	113.7	L265 S266 K267	L265-G269 PolarHBondContact O-N 3.34Å; S266-G269 PolarHBondContact O-N 2.84Å; K267-G269 VanDerWaalsContact C-N 3.3Å
270	K	92.7	Very high	94.2	Very high	108 Å²	108	47.3 Å²	47.3	47%	0.47	25%	0.25	S	S	.	.			trans	-105.3	-12.4	-176	-69.4	176.9	178.5	-179.3	0	113.4	Y238 L265 A268 C272	Y238-K270 HydrophobicContact CE2-CB 4.4Å; L265-K270 HydrophobicContact CD2-CB 3.99Å; L265-K270 PolarHBondContact O-N 2.9Å; A268-K270 HydrophobicContact CB-CB 4.47Å; A268-K270 HydrophobicContact CB-CD 4.02Å; A268-K270 HydrophobicContact CB-CG 4.11Å; A268-K270 PolarHBondContact O-N 3.08Å; K270-C272 PolarHBondContact O-N 2.73Å
271	L	94.1	Very high	94.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.226	C	C	.	.			trans	-73.1	118.6	171.3	-175.8	61.5	0	0	0	108.1	F245 I251 L262 L265 V273 A275 Q479 V481	F245-L271 HydrophobicContact CZ-CD1 4.37Å; I251-L271 HydrophobicContact CD1-CD1 4.2Å; L262-L271 HydrophobicContact CD2-CD1 4.13Å; L265-L271 HydrophobicContact CB-CB 4.03Å; L265-L271 PolarHBondContact O-N 3.01Å; L271-V273 HydrophobicContact CD1-CG2 4.43Å; L271-V273 WeakPolarHBondContact CD1-O 3.38Å; L271-V273 WeakPolarHBondContact CG-O 3.4Å; L271-A275 HydrophobicContact CD2-CB 4.47Å; L271-Q479 WeakPolarHBondContact O-CB 3.26Å; L271-V481 HydrophobicContact CD2-CG2 3.99Å
272	C	89.4	Confident	94.6	Very high	43 Å²	43	39.3 Å²	39.3	29%	0.291	22%	0.22	S	C	.	.			trans	-100.5	-4.1	-174.4	-62.4	0	0	0	0	113.3	F245 K270 Q479	F245-C272 HydrophobicContact CD1-CB 4.05Å; F245-C272 HydrophobicContact CE1-CB 3.89Å; K270-C272 PolarHBondContact O-N 2.73Å; C272-Q479 WeakPolarHBondContact O-CG 3.49Å; C272-Q479 PolarHBondContact O-NE2 3.08Å
273	V	92.4	Very high	94.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	22%	0.219	C	C	.	.	S	Bend	trans	-144.1	150.7	-170.4	-57.5	0	0	0	0	109.1	F245 I248 I251 L271	F245-V273 HydrophobicContact CZ-CG2 4.3Å; F245-V273 WeakPolarHBondContact O-CG1 3.38Å; I248-V273 HydrophobicContact CB-CG1 4.11Å; I248-V273 HydrophobicContact CB-CG2 4.46Å; I248-V273 HydrophobicContact CG2-CG2 4.21Å; I248-V273 WeakPolarHBondContact O-CG1 3.45Å; I251-V273 HydrophobicContact CD1-CG2 3.45Å; I251-V273 VanDerWaalsContact CD1-CG2 3.45Å; I251-V273 HydrophobicContact CG1-CG2 3.81Å; L271-V273 HydrophobicContact CD1-CG2 4.43Å; L271-V273 WeakPolarHBondContact CD1-O 3.38Å; L271-V273 WeakPolarHBondContact CG-O 3.4Å
274	P	96.7	Very high	94.4	Very high	20 Å²	20	36.2 Å²	36.2	13%	0.13	21%	0.208	C	C	.	.			trans	-64.6	145.9	176.4	28	-35.1	0	0	0	111.1	R249 G250 I251 L469 K478	R249-P274 WeakPolarHBondContact O-CD 3.3Å; R249-P274 WeakPolarHBondContact O-CG 3.5Å; G250-P274 VanDerWaalsContact CA-O 3.32Å; G250-P274 WeakPolarHBondContact CA-O 3.48Å; I251-P274 PolarHBondContact N-O 3.08Å; P274-L469 HydrophobicContact CB-CD2 4.14Å; P274-L469 HydrophobicContact CG-CD2 4.25Å; P274-K478 WeakPolarHBondContact CA-O 3.42Å; P274-K478 WeakPolarHBondContact CB-O 3.47Å
275	A	97.9	Very high	94.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.3	172.5	0	0	0	0	0	111.2	I251 L262 L271 D480 V481 Y482	I251-A275 HydrophobicContact CB-CB 4Å; I251-A275 HydrophobicContact CG2-CB 4.5Å; I251-A275 CarbonylContact O-C 3.53Å; I251-A275 WeakPolarHBondContact O-CA 2.96Å; L262-A275 HydrophobicContact CD1-CB 3.82Å; L262-A275 HydrophobicContact CD2-CB 4.12Å; L262-A275 HydrophobicContact CG-CB 4.5Å; L271-A275 HydrophobicContact CD2-CB 4.47Å; A275-D480 PolarHBondContact N-O 2.94Å; A275-V481 HydrophobicContact CB-CG2 4.43Å; A275-V481 CarbonylContact O-C 3.58Å; A275-V481 WeakPolarHBondContact O-CA 3.46Å; A275-Y482 PolarHBondContact O-N 3.23Å
276	M	97.8	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.4	170.9	-156.1	75.8	66.5	0	0	109	I251 V252 E253 V278 A465 E468 L469 Y477 Y482 L483 L484	I251-M276 PolarHBondContact O-N 2.87Å; V252-M276 HydrophobicContact CG2-CB 4.29Å; E253-M276 PolarHBondContact N-O 2.86Å; M276-V278 PolarHBondContact O-N 3.25Å; M276-A465 HydrophobicContact CB-CB 4.28Å; M276-A465 HydrophobicContact CG-CB 4Å; M276-E468 HydrophobicContact CE-CB 4.48Å; M276-E468 HydrophobicContact CE-CG 3.91Å; M276-L469 HydrophobicContact CB-CD1 3.89Å; M276-L469 HydrophobicContact CB-CG 4.4Å; M276-L469 HydrophobicContact CE-CD1 4.43Å; M276-L469 HydrophobicContact CE-CD2 3.75Å; M276-L469 HydrophobicContact CE-CG 3.71Å; M276-Y477 HydrophobicContact CE-CE1 4.49Å; M276-Y477 HydrophobicContact CE-CE2 4.49Å; M276-Y482 WeakPolarHBondContact CA-O 3.41Å; M276-L483 VanDerWaalsContact SD-C 3.57Å; M276-L484 HydrophobicContact CG-CB 4.48Å; M276-L484 HydrophobicContact CG-CD1 4.43Å
277	N	97.1	Very high	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	97.2	169.5	172.4	-1.6	0	0	0	108	V259 Y263 N279 D280 V481 Y482 L483	V259-N277 HydrophobicContact CG1-CB 4.29Å; V259-N277 VanDerWaalsContact CG1-ND2 3.34Å; V259-N277 WeakPolarHBondContact CG1-ND2 3.5Å; V259-N277 HydrophobicContact CG2-CB 4.06Å; V259-N277 VanDerWaalsContact CG2-OD1 3.28Å; V259-N277 WeakPolarHBondContact CG2-OD1 3.27Å; Y263-N277 PolarHBondContact OH-ND2 3.04Å; N277-N279 WeakPolarHBondContact OD1-CB 3.34Å; N277-N279 PolarHBondContact OD1-N 3.22Å; N277-D280 WeakPolarHBondContact ND2-CB 3.49Å; N277-D280 VanDerWaalsContact ND2-CG 3.3Å; N277-D280 PolarHBondContact ND2-OD2 3.41Å; N277-D280 PolarHBondContact OD1-N 3.19Å; N277-V481 HydrophobicContact CB-CG1 3.83Å; N277-Y482 WeakPolarHBondContact CB-O 3.48Å; N277-Y482 PolarHBondContact N-O 3.3Å; N277-L483 HydrophobicContact CB-CD2 4.3Å
278	V	95.7	Very high	94.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.			trans	-82.4	-24.8	174.3	165.2	0	0	0	0	111	V252 E253 M276 D280 S281 K284 T461 Q462 A465	V252-V278 HydrophobicContact CG1-CB 4.29Å; V252-V278 HydrophobicContact CG1-CG2 3.47Å; V252-V278 VanDerWaalsContact CG1-CG2 3.47Å; E253-V278 WeakPolarHBondContact O-CB 3.14Å; E253-V278 PolarHBondContact O-N 2.82Å; M276-V278 PolarHBondContact O-N 3.25Å; V278-D280 PolarHBondContact O-N 3Å; V278-S281 VanDerWaalsContact O-CB 3.31Å; V278-S281 WeakPolarHBondContact O-CB 3.14Å; V278-S281 PolarHBondContact O-N 3.47Å; V278-S281 VanDerWaalsContact O-N 3.11Å; V278-S281 PolarHBondContact O-OG 3.26Å; V278-K284 HydrophobicContact CG1-CB 4.44Å; V278-K284 HydrophobicContact CG1-CG 4.24Å; V278-K284 WeakPolarHBondContact O-CB 3.19Å; V278-T461 HydrophobicContact CG1-CG2 3.72Å; V278-T461 HydrophobicContact CG2-CG2 4.34Å; V278-Q462 HydrophobicContact CG1-CG 4.03Å; V278-A465 HydrophobicContact CG2-CB 3.7Å
279	N	93.4	Very high	94.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-45.6	176	-176.3	71.8	0	0	0	112	E253 E254 V256 V259 N277 S281 K284 Q285	E253-N279 PolarHBondContact O-N 2.62Å; E254-N279 VanDerWaalsContact O-CA 3.25Å; E254-N279 WeakPolarHBondContact O-CA 2.99Å; E254-N279 WeakPolarHBondContact O-CB 3.5Å; E254-N279 PolarHBondContact O-OD1 3.31Å; V256-N279 VanDerWaalsContact CG2-ND2 3.33Å; V256-N279 WeakPolarHBondContact CG2-ND2 3.21Å; V256-N279 WeakPolarHBondContact CG2-OD1 3.18Å; V256-N279 PolarHBondContact N-OD1 2.87Å; V259-N279 HydrophobicContact CG2-CB 3.92Å; N277-N279 WeakPolarHBondContact OD1-CB 3.34Å; N277-N279 PolarHBondContact OD1-N 3.22Å; N279-S281 VanDerWaalsContact C-N 3.33Å; N279-K284 PolarHBondContact OD1-NZ 3.21Å; N279-Q285 VanDerWaalsContact O-CB 3.24Å; N279-Q285 WeakPolarHBondContact O-CB 3.24Å; N279-Q285 PolarHBondContact O-N 3.27Å
280	D	93.1	Very high	94.2	Very high	57 Å²	57	24.8 Å²	24.8	31%	0.305	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	6.3	-175.5	-64.4	-16	0	0	0	113.3	N277 V278 L483	N277-D280 WeakPolarHBondContact ND2-CB 3.49Å; N277-D280 VanDerWaalsContact ND2-CG 3.3Å; N277-D280 PolarHBondContact ND2-OD2 3.41Å; N277-D280 PolarHBondContact OD1-N 3.19Å; V278-D280 PolarHBondContact O-N 3Å; D280-L483 HydrophobicContact CB-CD2 3.63Å
281	S	94.4	Very high	94.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	12%	0.117	C	C	.	.	S	Bend	trans	-59.8	141.5	162.3	-65.5	0	0	0	0	109.3	V278 N279 T283 K284 Q285 L484	V278-S281 VanDerWaalsContact O-CB 3.31Å; V278-S281 WeakPolarHBondContact O-CB 3.14Å; V278-S281 PolarHBondContact O-N 3.47Å; V278-S281 VanDerWaalsContact O-N 3.11Å; V278-S281 PolarHBondContact O-OG 3.26Å; N279-S281 VanDerWaalsContact C-N 3.33Å; S281-T283 VanDerWaalsContact C-N 3.3Å; S281-T283 PolarHBondContact O-N 2.93Å; S281-K284 PolarHBondContact O-N 2.92Å; S281-Q285 PolarHBondContact O-N 3.5Å; S281-L484 WeakPolarHBondContact OG-CB 3.43Å
282	V	95.1	Very high	94.3	Very high	34 Å²	34	23.3 Å²	23.3	21%	0.206	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-47.6	179.9	155.6	0	0	0	0	110	K284 K286 D489 Y530	V282-K284 PolarHBondContact O-N 2.75Å; V282-K284 VanDerWaalsContact O-N 3.1Å; V282-K286 PolarHBondContact O-N 3.33Å; V282-D489 VanDerWaalsContact CB-OD2 3.27Å; V282-D489 WeakPolarHBondContact CB-OD2 3.14Å; V282-D489 PolarHBondContact N-OD1 2.88Å; V282-D489 PolarHBondContact N-OD2 3.48Å; V282-Y530 HydrophobicContact CB-CD1 3.68Å; V282-Y530 HydrophobicContact CB-CE1 3.35Å; V282-Y530 HydrophobicContact CG1-CD1 3.13Å; V282-Y530 HydrophobicContact CG1-CE1 3.26Å; V282-Y530 HydrophobicContact CG1-CG 4.33Å; V282-Y530 HydrophobicContact CG2-CD1 3.62Å; V282-Y530 HydrophobicContact CG2-CE1 3.43Å; V282-Y530 VanDerWaalsContact CG2-CE1 3.43Å; V282-Y530 HydrophobicContact CG2-CG 4.35Å; V282-Y530 VanDerWaalsContact O-CE1 3.32Å; V282-Y530 WeakPolarHBondContact O-CE1 3.44Å
283	T	93.6	Very high	94.5	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-13.9	-179.7	56.6	0	0	0	0	113.7	S281 F287 I457 T461 D489 V492 A493	S281-T283 VanDerWaalsContact C-N 3.3Å; S281-T283 PolarHBondContact O-N 2.93Å; T283-F287 WeakPolarHBondContact O-CB 3.32Å; T283-F287 WeakPolarHBondContact O-CD2 3.43Å; T283-I457 HydrophobicContact CG2-CG2 4.34Å; T283-I457 WeakPolarHBondContact O-CG2 3.19Å; T283-T461 PolarHBondContact OG1-OG1 3.2Å; T283-D489 WeakPolarHBondContact CB-OD1 3.3Å; T283-D489 VanDerWaalsContact CG2-O 3.24Å; T283-D489 WeakPolarHBondContact CG2-O 3.44Å; T283-D489 VanDerWaalsContact CG2-OD1 3.31Å; T283-D489 WeakPolarHBondContact CG2-OD1 2.97Å; T283-D489 PolarHBondContact N-OD1 2.98Å; T283-D489 PolarHBondContact OG1-OD1 3.49Å; T283-V492 HydrophobicContact CG2-CB 4.01Å; T283-V492 HydrophobicContact CG2-CG1 3.98Å; T283-A493 HydrophobicContact CG2-CB 4.02Å
284	K	94	Very high	94.7	Very high	10 Å²	10	26.1 Å²	26.1	4%	0.043	12%	0.122	C	C	.	.	H	α-helix	trans	-94.2	-62.1	172.7	-161.9	-73.6	-172.3	170	0	110.7	E254 V278 N279 S281 V282 K286 F287 D288 N289 T458	E254-K284 WeakPolarHBondContact O-CE 3.41Å; E254-K284 PolarHBondContact O-NZ 3.32Å; E254-K284 VanDerWaalsContact O-NZ 3.08Å; V278-K284 HydrophobicContact CG1-CB 4.44Å; V278-K284 HydrophobicContact CG1-CG 4.24Å; V278-K284 WeakPolarHBondContact O-CB 3.19Å; N279-K284 PolarHBondContact OD1-NZ 3.21Å; S281-K284 PolarHBondContact O-N 2.92Å; V282-K284 PolarHBondContact O-N 2.75Å; V282-K284 VanDerWaalsContact O-N 3.1Å; K284-K286 PolarHBondContact O-N 3.25Å; K284-F287 PolarHBondContact O-N 3.19Å; K284-D288 HydrophobicContact CD-CB 4.05Å; K284-D288 HydrophobicContact CG-CB 4.46Å; K284-D288 VanDerWaalsContact O-CB 3.27Å; K284-D288 WeakPolarHBondContact O-CB 3.44Å; K284-D288 PolarHBondContact O-N 2.86Å; K284-N289 PolarHBondContact NZ-OD1 3.07Å; K284-T458 HydrophobicContact CG-CG2 4.01Å
285	Q	91.8	Very high	94.7	Very high	53 Å²	53	30.2 Å²	30.2	25%	0.248	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-34.6	-170.1	165.2	-174	91.4	0	0	113.4	N279 S281 N289 E321 Y530	N279-Q285 VanDerWaalsContact O-CB 3.24Å; N279-Q285 WeakPolarHBondContact O-CB 3.24Å; N279-Q285 PolarHBondContact O-N 3.27Å; S281-Q285 PolarHBondContact O-N 3.5Å; Q285-N289 WeakPolarHBondContact O-CB 3.43Å; Q285-E321 HydrophobicContact CG-CG 3.87Å; Q285-Y530 WeakPolarHBondContact CB-OH 3.43Å; Q285-Y530 VanDerWaalsContact CD-OH 3.24Å; Q285-Y530 WeakPolarHBondContact CG-OH 3.37Å; Q285-Y530 PolarHBondContact OE1-OH 2.91Å
286	K	94.3	Very high	94.6	Very high	52 Å²	52	30.2 Å²	30.2	23%	0.226	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-6.6	177.3	-74.3	-65.9	176.6	178.2	0	115.8	V282 K284 L290 Y291 E321 Y530	V282-K286 PolarHBondContact O-N 3.33Å; K284-K286 PolarHBondContact O-N 3.25Å; K286-L290 WeakPolarHBondContact O-CB 3.46Å; K286-Y291 WeakPolarHBondContact O-CD2 3.25Å; K286-Y291 VanDerWaalsContact O-CE2 3.29Å; K286-Y291 WeakPolarHBondContact O-CE2 3.31Å; K286-E321 HydrophobicContact CD-CG 4.46Å; K286-E321 WeakPolarHBondContact CD-OE2 3.45Å; K286-E321 IonicContact NZ-OE1 3.66Å; K286-E321 PolarHBondContact NZ-OE1 3.33Å; K286-E321 IonicContact NZ-OE2 3.98Å; K286-E321 PolarHBondContact NZ-OE2 3.38Å; K286-Y530 HydrophobicContact CB-CD1 3.81Å; K286-Y530 HydrophobicContact CB-CE1 3.45Å; K286-Y530 VanDerWaalsContact CB-CE1 3.45Å; K286-Y530 HydrophobicContact CD-CD1 4.36Å; K286-Y530 HydrophobicContact CD-CD2 4.04Å; K286-Y530 HydrophobicContact CD-CE1 4.16Å; K286-Y530 HydrophobicContact CD-CE2 3.95Å; K286-Y530 HydrophobicContact CD-CG 4.29Å; K286-Y530 HydrophobicContact CG-CD1 3.21Å; K286-Y530 HydrophobicContact CG-CD2 3.65Å; K286-Y530 HydrophobicContact CG-CE1 2.89Å; K286-Y530 HydrophobicContact CG-CE2 3.48Å; K286-Y530 VanDerWaalsContact CG-CE2 3.48Å; K286-Y530 HydrophobicContact CG-CG 3.56Å
287	F	94.5	Very high	94.5	Very high	65 Å²	65	30.2 Å²	30.2	29%	0.285	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-57.4	179.6	-64.9	-100.4	0	0	0	110.3	T283 K284 Y291 C292 V454 I457	T283-F287 WeakPolarHBondContact O-CB 3.32Å; T283-F287 WeakPolarHBondContact O-CD2 3.43Å; K284-F287 PolarHBondContact O-N 3.19Å; F287-Y291 HydrophobicContact CB-CD2 4.16Å; F287-Y291 AromaticContact CD1-CD2 3.78Å; F287-Y291 HydrophobicContact CD1-CD2 3.78Å; F287-Y291 AromaticContact CD1-CE2 3.71Å; F287-Y291 HydrophobicContact CD1-CE2 3.71Å; F287-Y291 HydrophobicContact CE1-CE2 4.05Å; F287-Y291 HydrophobicContact CG-CD2 4.18Å; F287-Y291 HydrophobicContact CG-CE2 4.22Å; F287-Y291 WeakPolarHBondContact O-CA 3.37Å; F287-Y291 VanDerWaalsContact O-CB 3.26Å; F287-Y291 WeakPolarHBondContact O-CB 3.48Å; F287-Y291 PolarHBondContact O-N 2.93Å; F287-C292 PolarHBondContact O-N 2.81Å; F287-V454 HydrophobicContact CB-CG1 4.37Å; F287-V454 WeakPolarHBondContact O-CG1 3.26Å; F287-I457 HydrophobicContact CB-CD1 4.06Å; F287-I457 HydrophobicContact CD1-CD1 3.63Å; F287-I457 HydrophobicContact CE1-CD1 4.33Å; F287-I457 HydrophobicContact CG-CD1 3.99Å
288	D	92.8	Very high	94.5	Very high	17 Å²	17	32 Å²	32	9%	0.091	15%	0.149	C	C	.	.	I	π-helix	trans	-64	-67.4	178.8	-159.9	-39	0	0	0	111.1	K284 L290 C292 V454 T458	K284-D288 HydrophobicContact CD-CB 4.05Å; K284-D288 HydrophobicContact CG-CB 4.46Å; K284-D288 VanDerWaalsContact O-CB 3.27Å; K284-D288 WeakPolarHBondContact O-CB 3.44Å; K284-D288 PolarHBondContact O-N 2.86Å; D288-L290 PolarHBondContact O-N 3.02Å; D288-C292 WeakPolarHBondContact O-CB 3.4Å; D288-C292 PolarHBondContact O-N 2.9Å; D288-C292 VanDerWaalsContact O-N 3.09Å; D288-V454 VanDerWaalsContact CA-CG1 3.47Å; D288-V454 HydrophobicContact CB-CG1 4.24Å; D288-T458 PolarHBondContact OD2-OG1 3.13Å
289	N	91.2	Very high	94.5	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.112	16%	0.16	C	C	.	.	I	π-helix	trans	-61.4	-24.9	-173	-55.8	-10.9	0	0	0	112.3	K284 Q285 C293 E321 V322	K284-N289 PolarHBondContact NZ-OD1 3.07Å; Q285-N289 WeakPolarHBondContact O-CB 3.43Å; N289-C293 WeakPolarHBondContact O-CB 3.33Å; N289-C293 PolarHBondContact O-SG 3.31Å; N289-C293 VanDerWaalsContact O-SG 3.39Å; N289-E321 HydrophobicContact CB-CB 3.8Å; N289-E321 CarbonylContact O-C 3.55Å; N289-V322 HydrophobicContact CB-CG2 4.09Å; N289-V322 WeakPolarHBondContact O-CA 3.45Å; N289-V322 PolarHBondContact O-N 3.07Å
290	L	95.3	Very high	94.6	Very high	27 Å²	27	34 Å²	34	14%	0.141	16%	0.159	C	C	.	.	I	π-helix	trans	-94.3	-64.4	179.5	-177.6	64.6	0	0	0	112.9	K286 D288 R294 E321 K324 G325	K286-L290 WeakPolarHBondContact O-CB 3.46Å; D288-L290 PolarHBondContact O-N 3.02Å; L290-R294 WeakPolarHBondContact O-CB 3.03Å; L290-R294 PolarHBondContact O-N 3.34Å; L290-E321 HydrophobicContact CB-CB 4.41Å; L290-E321 WeakPolarHBondContact CD1-O 3.35Å; L290-K324 HydrophobicContact CD1-CB 3.72Å; L290-G325 WeakPolarHBondContact O-CA 3.37Å
291	Y	96	Very high	94.8	Very high	78 Å²	78	31.3 Å²	31.3	31%	0.306	15%	0.145	S	C	.	.	I	π-helix	trans	-77.9	-35.4	-170.7	-56.7	-48	0	0	0	112.9	K286 F287 R294 E295	K286-Y291 WeakPolarHBondContact O-CD2 3.25Å; K286-Y291 VanDerWaalsContact O-CE2 3.29Å; K286-Y291 WeakPolarHBondContact O-CE2 3.31Å; F287-Y291 HydrophobicContact CB-CD2 4.16Å; F287-Y291 AromaticContact CD1-CD2 3.78Å; F287-Y291 HydrophobicContact CD1-CD2 3.78Å; F287-Y291 AromaticContact CD1-CE2 3.71Å; F287-Y291 HydrophobicContact CD1-CE2 3.71Å; F287-Y291 HydrophobicContact CE1-CE2 4.05Å; F287-Y291 HydrophobicContact CG-CD2 4.18Å; F287-Y291 HydrophobicContact CG-CE2 4.22Å; F287-Y291 WeakPolarHBondContact O-CA 3.37Å; F287-Y291 VanDerWaalsContact O-CB 3.26Å; F287-Y291 WeakPolarHBondContact O-CB 3.48Å; F287-Y291 PolarHBondContact O-N 2.93Å; Y291-R294 WeakPolarHBondContact O-CB 3.34Å; Y291-R294 PolarHBondContact O-N 3.4Å; Y291-E295 PolarHBondContact O-N 3.38Å
292	C	93.8	Very high	94.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	16%	0.161	C	C	.	.	I	π-helix	trans	-61.9	-47.3	173.5	-175.8	0	0	0	0	110.4	F287 D288 R294 E295 S296 V450 V454	F287-C292 PolarHBondContact O-N 2.81Å; D288-C292 WeakPolarHBondContact O-CB 3.4Å; D288-C292 PolarHBondContact O-N 2.9Å; D288-C292 VanDerWaalsContact O-N 3.09Å; C292-R294 VanDerWaalsContact C-N 3.31Å; C292-R294 PolarHBondContact O-N 3.01Å; C292-E295 PolarHBondContact O-N 3.15Å; C292-S296 WeakPolarHBondContact O-CB 3.48Å; C292-S296 PolarHBondContact O-N 2.75Å; C292-S296 PolarHBondContact O-OG 3.28Å; C292-V450 WeakPolarHBondContact SG-CG1 3.15Å; C292-V454 HydrophobicContact CB-CG1 3.99Å
293	C	94.4	Very high	94.8	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-32.7	179.1	-67.6	0	0	0	0	112.6	N289 E295 S296 I297 V322 M397	N289-C293 WeakPolarHBondContact O-CB 3.33Å; N289-C293 PolarHBondContact O-SG 3.31Å; N289-C293 VanDerWaalsContact O-SG 3.39Å; C293-E295 VanDerWaalsContact C-N 3.31Å; C293-E295 PolarHBondContact O-N 3.31Å; C293-S296 WeakPolarHBondContact CA-OG 3.27Å; C293-I297 WeakPolarHBondContact O-CB 3.42Å; C293-I297 WeakPolarHBondContact O-CG2 3.19Å; C293-I297 PolarHBondContact O-N 3.27Å; C293-V322 HydrophobicContact CB-CG1 4.24Å; C293-M397 HydrophobicContact CB-CE 3.74Å
294	R	96.6	Very high	94.8	Very high	100 Å²	100	39.7 Å²	39.7	38%	0.377	18%	0.175	S	C	.	.	H	α-helix	trans	-61.2	-36.4	174.8	-171.5	173.8	66.5	-175	0.2	112.6	L290 Y291 C292 G325 A329	L290-R294 WeakPolarHBondContact O-CB 3.03Å; L290-R294 PolarHBondContact O-N 3.34Å; Y291-R294 WeakPolarHBondContact O-CB 3.34Å; Y291-R294 PolarHBondContact O-N 3.4Å; C292-R294 VanDerWaalsContact C-N 3.31Å; C292-R294 PolarHBondContact O-N 3.01Å; R294-G325 WeakPolarHBondContact CA-O 3.45Å; R294-G325 WeakPolarHBondContact CG-O 3.28Å; R294-A329 HydrophobicContact CG-CB 3.87Å; R294-A329 WeakPolarHBondContact O-CB 3.48Å
295	E	95.7	Very high	94.9	Very high	107 Å²	107	40.7 Å²	40.7	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-87.2	-49.2	178.1	-68.1	-174.2	-150.2	0	0	112.1	Y291 C292 C293 I297 L298 D299 P451	Y291-E295 PolarHBondContact O-N 3.38Å; C292-E295 PolarHBondContact O-N 3.15Å; C293-E295 VanDerWaalsContact C-N 3.31Å; C293-E295 PolarHBondContact O-N 3.31Å; E295-I297 VanDerWaalsContact C-N 3.34Å; E295-I297 PolarHBondContact O-N 2.82Å; E295-L298 PolarHBondContact O-N 3.33Å; E295-L298 VanDerWaalsContact O-N 3.17Å; E295-D299 PolarHBondContact O-N 3.47Å; E295-P451 HydrophobicContact CB-CG 3.98Å; E295-P451 HydrophobicContact CG-CG 4.4Å; E295-P451 WeakPolarHBondContact OE2-CG 3.49Å
296	S	95.3	Very high	95	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.8	-24.5	-171.2	57.3	0	0	0	0	114.7	C292 C293 L298 G300 N444 S448	C292-S296 WeakPolarHBondContact O-CB 3.48Å; C292-S296 PolarHBondContact O-N 2.75Å; C292-S296 PolarHBondContact O-OG 3.28Å; C293-S296 WeakPolarHBondContact CA-OG 3.27Å; S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 2.87Å; S296-G300 PolarHBondContact O-N 3.24Å; S296-N444 VanDerWaalsContact CB-CB 3.42Å; S296-N444 WeakPolarHBondContact OG-CB 3.02Å; S296-S448 PolarHBondContact O-OG 2.98Å
297	I	97.1	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-39.9	172.9	-172.8	50.4	0	0	0	111.5	C293 E295 L301 C326 A329 L330 I371 M397 L443	C293-I297 WeakPolarHBondContact O-CB 3.42Å; C293-I297 WeakPolarHBondContact O-CG2 3.19Å; C293-I297 PolarHBondContact O-N 3.27Å; E295-I297 VanDerWaalsContact C-N 3.34Å; E295-I297 PolarHBondContact O-N 2.82Å; I297-L301 HydrophobicContact CD1-CD1 3.84Å; I297-L301 HydrophobicContact CD1-CG 4.07Å; I297-L301 HydrophobicContact CG1-CD1 4.02Å; I297-L301 WeakPolarHBondContact O-CB 3.11Å; I297-L301 VanDerWaalsContact O-CG 3.28Å; I297-L301 WeakPolarHBondContact O-CG 3.48Å; I297-L301 PolarHBondContact O-N 3.31Å; I297-L301 VanDerWaalsContact O-N 3.08Å; I297-C326 HydrophobicContact CG1-CB 4.36Å; I297-C326 HydrophobicContact CG2-CB 4.48Å; I297-A329 HydrophobicContact CG2-CB 3.91Å; I297-L330 HydrophobicContact CG1-CD1 4.45Å; I297-I371 HydrophobicContact CD1-CD1 3.92Å; I297-I371 HydrophobicContact CD1-CG2 4.21Å; I297-I371 HydrophobicContact CG1-CD1 4.11Å; I297-M397 HydrophobicContact CB-CE 4.32Å; I297-M397 HydrophobicContact CB-SD 4.43Å; I297-M397 HydrophobicContact CD1-CG 3.87Å; I297-M397 HydrophobicContact CD1-SD 3.91Å; I297-L443 HydrophobicContact CD1-CD2 3.61Å
298	L	96.4	Very high	95.1	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.194	21%	0.21	C	C	.	.	H	α-helix	trans	-71.4	-47.3	-177.7	-62.5	-179.9	0	0	0	110	E295 S296 K302 F309 A329 L330 L333	E295-L298 PolarHBondContact O-N 3.33Å; E295-L298 VanDerWaalsContact O-N 3.17Å; S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 2.87Å; L298-K302 VanDerWaalsContact O-CB 3.27Å; L298-K302 WeakPolarHBondContact O-CB 3.39Å; L298-K302 VanDerWaalsContact O-CG 3.28Å; L298-K302 WeakPolarHBondContact O-CG 3.16Å; L298-K302 PolarHBondContact O-N 3.39Å; L298-F309 HydrophobicContact CD2-CE1 4.44Å; L298-F309 HydrophobicContact CD2-CE2 4.04Å; L298-F309 HydrophobicContact CD2-CZ 4.01Å; L298-A329 HydrophobicContact CD1-CB 3.87Å; L298-A329 HydrophobicContact CD2-CB 4.06Å; L298-A329 HydrophobicContact CG-CB 3.86Å; L298-L330 HydrophobicContact CD2-CD2 3.89Å; L298-L330 HydrophobicContact CD2-CG 4.34Å; L298-L333 HydrophobicContact CD1-CD1 3.72Å; L298-L333 HydrophobicContact CD1-CG 4.36Å; L298-L333 HydrophobicContact CD2-CD1 3.56Å; L298-L333 HydrophobicContact CD2-CG 4.48Å; L298-L333 HydrophobicContact CG-CD1 4.17Å
299	D	95.8	Very high	95.3	Very high	45 Å²	45	44.7 Å²	44.7	24%	0.241	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-46.3	178	-179.4	54.4	0	0	0	111.2	E295 L301 K302 R303 S448 T449	E295-D299 PolarHBondContact O-N 3.47Å; D299-L301 PolarHBondContact O-N 3.07Å; D299-K302 PolarHBondContact O-N 2.81Å; D299-R303 VanDerWaalsContact CG-NE 3.29Å; D299-R303 WeakPolarHBondContact O-CG 3.19Å; D299-R303 PolarHBondContact O-N 2.86Å; D299-R303 IonicContact OD1-CZ 2.67Å; D299-R303 IonicContact OD1-NE 3.41Å; D299-R303 PolarHBondContact OD1-NE 3.25Å; D299-R303 IonicContact OD1-NH2 3.73Å; D299-R303 PolarHBondContact OD1-NH2 3.39Å; D299-R303 VanDerWaalsContact OD1-NH2 3.16Å; D299-R303 IonicContact OD2-CZ 3.01Å; D299-R303 IonicContact OD2-NE 3.24Å; D299-R303 PolarHBondContact OD2-NE 3.28Å; D299-R303 VanDerWaalsContact OD2-NE 3.13Å; D299-R303 IonicContact OD2-NH2 2.65Å; D299-R303 PolarHBondContact OD2-NH2 3.34Å; D299-S448 WeakPolarHBondContact CB-OG 3.21Å; D299-S448 VanDerWaalsContact OD2-CA 3.32Å; D299-S448 WeakPolarHBondContact OD2-CA 3.33Å; D299-S448 VanDerWaalsContact OD2-CB 3.31Å; D299-S448 WeakPolarHBondContact OD2-CB 3.33Å; D299-S448 PolarHBondContact OD2-OG 3.07Å; D299-T449 PolarHBondContact OD2-N 3.04Å; D299-T449 VanDerWaalsContact OD2-N 3.09Å
300	G	95.4	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-47.9	178	0	0	0	0	0	113.1	S296 T304	S296-G300 PolarHBondContact O-N 3.24Å; G300-T304 WeakPolarHBondContact O-CB 3.17Å; G300-T304 WeakPolarHBondContact O-CG2 3.35Å; G300-T304 PolarHBondContact O-N 3.25Å; G300-T304 PolarHBondContact O-OG1 2.79Å
301	L	96.8	Very high	95.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-39.1	175.9	-72	171.6	0	0	0	111.8	I297 D299 T304 T305 F309 L330 V369 I371 I393 L437 L443	I297-L301 HydrophobicContact CD1-CD1 3.84Å; I297-L301 HydrophobicContact CD1-CG 4.07Å; I297-L301 HydrophobicContact CG1-CD1 4.02Å; I297-L301 WeakPolarHBondContact O-CB 3.11Å; I297-L301 VanDerWaalsContact O-CG 3.28Å; I297-L301 WeakPolarHBondContact O-CG 3.48Å; I297-L301 PolarHBondContact O-N 3.31Å; I297-L301 VanDerWaalsContact O-N 3.08Å; D299-L301 PolarHBondContact O-N 3.07Å; L301-T304 PolarHBondContact O-OG1 2.9Å; L301-T305 PolarHBondContact O-N 3.44Å; L301-T305 PolarHBondContact O-OG1 3.29Å; L301-F309 HydrophobicContact CB-CE1 3.83Å; L301-F309 HydrophobicContact CB-CZ 4.01Å; L301-F309 HydrophobicContact CD1-CE1 3.85Å; L301-L330 HydrophobicContact CD1-CD2 4.18Å; L301-V369 HydrophobicContact CD2-CG1 4.34Å; L301-I371 HydrophobicContact CD1-CD1 4.36Å; L301-I393 HydrophobicContact CD2-CG2 4.08Å; L301-L437 HydrophobicContact CD2-CD1 3.83Å; L301-L443 HydrophobicContact CG-CD2 4.34Å
302	K	95.6	Very high	95.9	Very high	83 Å²	83	45.1 Å²	45.1	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-65.7	-50.8	178.8	-80.5	-55.7	-162.4	174.5	0	112.5	L298 D299 T304 D306 V307 F309	L298-K302 VanDerWaalsContact O-CB 3.27Å; L298-K302 WeakPolarHBondContact O-CB 3.39Å; L298-K302 VanDerWaalsContact O-CG 3.28Å; L298-K302 WeakPolarHBondContact O-CG 3.16Å; L298-K302 PolarHBondContact O-N 3.39Å; D299-K302 PolarHBondContact O-N 2.81Å; K302-T304 VanDerWaalsContact C-N 3.26Å; K302-T304 PolarHBondContact O-N 2.81Å; K302-D306 WeakPolarHBondContact O-CA 3.38Å; K302-D306 PolarHBondContact O-N 3.1Å; K302-V307 WeakPolarHBondContact CE-O 3.28Å; K302-V307 PolarHBondContact NZ-O 3.49Å; K302-F309 HydrophobicContact CD-CE2 3.78Å; K302-F309 HydrophobicContact CD-CZ 3.97Å; K302-F309 HydrophobicContact CG-CE2 3.72Å; K302-F309 HydrophobicContact CG-CZ 3.78Å
303	R	94	Very high	96.1	Very high	124 Å²	124	47.3 Å²	47.3	47%	0.468	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-35.3	-178.9	-69.7	-175.6	-169.1	-169.6	8.7	113	D299 T449	D299-R303 VanDerWaalsContact CG-NE 3.29Å; D299-R303 WeakPolarHBondContact O-CG 3.19Å; D299-R303 PolarHBondContact O-N 2.86Å; D299-R303 IonicContact OD1-CZ 2.67Å; D299-R303 IonicContact OD1-NE 3.41Å; D299-R303 PolarHBondContact OD1-NE 3.25Å; D299-R303 IonicContact OD1-NH2 3.73Å; D299-R303 PolarHBondContact OD1-NH2 3.39Å; D299-R303 VanDerWaalsContact OD1-NH2 3.16Å; D299-R303 IonicContact OD2-CZ 3.01Å; D299-R303 IonicContact OD2-NE 3.24Å; D299-R303 PolarHBondContact OD2-NE 3.28Å; D299-R303 VanDerWaalsContact OD2-NE 3.13Å; D299-R303 IonicContact OD2-NH2 2.65Å; D299-R303 PolarHBondContact OD2-NH2 3.34Å; R303-T449 PolarHBondContact NH2-OG1 3.1Å
304	T	94.8	Very high	96.3	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-85.1	-37.4	-175.5	50.6	0	0	0	0	113.2	G300 L301 K302 V423 L437 C447	G300-T304 WeakPolarHBondContact O-CB 3.17Å; G300-T304 WeakPolarHBondContact O-CG2 3.35Å; G300-T304 PolarHBondContact O-N 3.25Å; G300-T304 PolarHBondContact O-OG1 2.79Å; L301-T304 PolarHBondContact O-OG1 2.9Å; K302-T304 VanDerWaalsContact C-N 3.26Å; K302-T304 PolarHBondContact O-N 2.81Å; T304-V423 HydrophobicContact CG2-CG2 3.88Å; T304-L437 HydrophobicContact CG2-CD2 4.4Å; T304-L437 WeakPolarHBondContact OG1-CD1 3.4Å; T304-C447 HydrophobicContact CG2-CB 3.53Å; T304-C447 VanDerWaalsContact CG2-SG 3.55Å
305	T	94.9	Very high	96.4	Very high	32 Å²	32	42.4 Å²	42.4	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-125.6	-11.5	-167.2	69.6	0	0	0	0	115.2	L301 V307 I393 V435 L437	L301-T305 PolarHBondContact O-N 3.44Å; L301-T305 PolarHBondContact O-OG1 3.29Å; T305-V307 PolarHBondContact O-N 3.21Å; T305-V307 WeakPolarHBondContact OG1-CB 3.27Å; T305-V307 VanDerWaalsContact OG1-CG1 3.23Å; T305-V307 WeakPolarHBondContact OG1-CG1 3.37Å; T305-V307 PolarHBondContact OG1-N 2.82Å; T305-I393 HydrophobicContact CG2-CD1 3.91Å; T305-I393 HydrophobicContact CG2-CG1 4.24Å; T305-I393 HydrophobicContact CG2-CG2 4.16Å; T305-V435 HydrophobicContact CG2-CG1 4.33Å; T305-L437 HydrophobicContact CG2-CD1 4.2Å; T305-L437 HydrophobicContact CG2-CD2 3.85Å
306	D	94.6	Very high	96.6	Very high	105 Å²	105	37.3 Å²	37.3	56%	0.561	20%	0.2	S	C	*	.			trans	56.4	12.2	-174.8	-56.4	-68.7	0	0	0	113.7	K302 R420	K302-D306 WeakPolarHBondContact O-CA 3.38Å; K302-D306 PolarHBondContact O-N 3.1Å; D306-R420 IonicContact OD2-CZ 3.92Å; D306-R420 IonicContact OD2-NH1 2.69Å; D306-R420 PolarHBondContact OD2-NH1 3.14Å; D306-R420 IonicContact OD2-NH2 3.78Å
307	V	94.3	Very high	96.7	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.127	20%	0.2	C	C	.	.			trans	-63.4	138.8	-167.2	71	0	0	0	0	112.6	K302 T305 F309 I393	K302-V307 WeakPolarHBondContact CE-O 3.28Å; K302-V307 PolarHBondContact NZ-O 3.49Å; T305-V307 PolarHBondContact O-N 3.21Å; T305-V307 WeakPolarHBondContact OG1-CB 3.27Å; T305-V307 VanDerWaalsContact OG1-CG1 3.23Å; T305-V307 WeakPolarHBondContact OG1-CG1 3.37Å; T305-V307 PolarHBondContact OG1-N 2.82Å; V307-F309 HydrophobicContact CG1-CD1 4.15Å; V307-F309 HydrophobicContact CG1-CE1 3.85Å; V307-I393 HydrophobicContact CB-CD1 4.05Å; V307-I393 HydrophobicContact CG1-CD1 4.24Å; V307-I393 HydrophobicContact CG2-CD1 4.04Å
308	M	96.3	Very high	96.8	Very high	131 Å²	131	37.5 Å²	37.5	65%	0.645	20%	0.202	S	C	*	.			trans	-78.3	123.9	167.5	-178.7	179.2	-178	0	0	110.1	K312	M308-K312 WeakPolarHBondContact O-CE 3.41Å; M308-K312 WeakPolarHBondContact O-CG 3.36Å; M308-K312 PolarHBondContact O-NZ 2.98Å
309	F	97.5	Very high	96.9	Very high	13 Å²	13	36 Å²	36	6%	0.057	19%	0.194	C	C	.	.			trans	-78.5	-38.5	-177.2	-57.2	-65.2	0	0	0	114.3	L298 L301 K302 V307 G311 K312 L330 L333	L298-F309 HydrophobicContact CD2-CE1 4.44Å; L298-F309 HydrophobicContact CD2-CE2 4.04Å; L298-F309 HydrophobicContact CD2-CZ 4.01Å; L301-F309 HydrophobicContact CB-CE1 3.83Å; L301-F309 HydrophobicContact CB-CZ 4.01Å; L301-F309 HydrophobicContact CD1-CE1 3.85Å; K302-F309 HydrophobicContact CD-CE2 3.78Å; K302-F309 HydrophobicContact CD-CZ 3.97Å; K302-F309 HydrophobicContact CG-CE2 3.72Å; K302-F309 HydrophobicContact CG-CZ 3.78Å; V307-F309 HydrophobicContact CG1-CD1 4.15Å; V307-F309 HydrophobicContact CG1-CE1 3.85Å; F309-G311 PolarHBondContact O-N 2.55Å; F309-K312 VanDerWaalsContact O-CB 3.3Å; F309-K312 WeakPolarHBondContact O-CB 3.05Å; F309-K312 PolarHBondContact O-N 3.05Å; F309-L330 HydrophobicContact CD1-CD2 3.9Å; F309-L330 HydrophobicContact CE1-CD2 4.1Å; F309-L333 HydrophobicContact CB-CB 3.92Å; F309-L333 HydrophobicContact CB-CD1 4.48Å; F309-L333 HydrophobicContact CD2-CB 4.22Å; F309-L333 HydrophobicContact CD2-CD1 3.25Å; F309-L333 HydrophobicContact CD2-CG 4.38Å; F309-L333 HydrophobicContact CE2-CD1 3.58Å; F309-L333 HydrophobicContact CG-CB 4.39Å; F309-L333 HydrophobicContact CG-CD1 4.08Å
310	G	98	Very high	96.9	Very high	29 Å²	29	35.1 Å²	35.1	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	126	-176.7	0	0	0	0	0	112.5	K312 L333	G310-K312 PolarHBondContact O-N 3.12Å; G310-L333 WeakPolarHBondContact CA-O 3.47Å; G310-L333 PolarHBondContact N-O 3.41Å
311	G	97.5	Very high	96.8	Very high	51 Å²	51	36.5 Å²	36.5	53%	0.526	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-4.5	-179.2	0	0	0	0	0	115.7	F309 G334	F309-G311 PolarHBondContact O-N 2.55Å; G311-G334 PolarHBondContact N-O 2.9Å
312	K	98.3	Very high	96.7	Very high	56 Å²	56	37.9 Å²	37.9	24%	0.243	21%	0.211	C	C	.	.			trans	-70.6	141.2	175.3	-67.1	-69.4	-178.9	-62.7	0	110.8	M308 F309 G310 V314 I336 D368	M308-K312 WeakPolarHBondContact O-CE 3.41Å; M308-K312 WeakPolarHBondContact O-CG 3.36Å; M308-K312 PolarHBondContact O-NZ 2.98Å; F309-K312 VanDerWaalsContact O-CB 3.3Å; F309-K312 WeakPolarHBondContact O-CB 3.05Å; F309-K312 PolarHBondContact O-N 3.05Å; G310-K312 PolarHBondContact O-N 3.12Å; K312-V314 HydrophobicContact CB-CG2 4.48Å; K312-I336 PolarHBondContact O-N 3.38Å; K312-D368 WeakPolarHBondContact CA-OD2 3.26Å; K312-D368 HydrophobicContact CB-CB 4.16Å; K312-D368 HydrophobicContact CD-CB 3.67Å; K312-D368 HydrophobicContact CG-CB 4.42Å
313	Q	98.6	Very high	96.9	Very high	47 Å²	47	34 Å²	34	22%	0.22	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.7	172.2	-69.3	-172.3	78	0	0	109.4	I336 Y338 V367 D368 V369	Q313-I336 WeakPolarHBondContact CA-O 3.47Å; Q313-I336 HydrophobicContact CG-CB 4.41Å; Q313-I336 HydrophobicContact CG-CD1 4.47Å; Q313-Y338 HydrophobicContact CB-CE2 4.08Å; Q313-Y338 HydrophobicContact CG-CE2 4.2Å; Q313-Y338 PolarHBondContact OE1-OH 2.95Å; Q313-V367 HydrophobicContact CB-CG1 4.38Å; Q313-V367 CarbonylContact O-C 3.59Å; Q313-D368 PolarHBondContact N-OD2 3.08Å; Q313-D368 PolarHBondContact O-N 3.21Å; Q313-V369 PolarHBondContact O-N 3.31Å
314	V	98.8	Very high	97.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.7	-179.1	-174.5	0	0	0	0	108.9	K312 V316 L330 A335 I336 V337 Y338 V369 I371	K312-V314 HydrophobicContact CB-CG2 4.48Å; V314-V316 HydrophobicContact CG1-CG2 4.22Å; V314-L330 HydrophobicContact CG1-CD1 3.94Å; V314-A335 HydrophobicContact CG2-CB 3.96Å; V314-I336 PolarHBondContact N-O 3.31Å; V314-V337 CarbonylContact O-C 3.43Å; V314-V337 WeakPolarHBondContact O-CA 3.39Å; V314-Y338 PolarHBondContact O-N 2.83Å; V314-V369 CarbonylContact C-O 3.54Å; V314-V369 WeakPolarHBondContact CA-O 3.36Å; V314-V369 HydrophobicContact CB-CB 4.38Å; V314-V369 HydrophobicContact CG1-CB 3.97Å; V314-V369 HydrophobicContact CG1-CG1 4.27Å; V314-V369 HydrophobicContact CG2-CB 4.06Å; V314-V369 HydrophobicContact CG2-CG2 4.24Å; V314-I371 HydrophobicContact CG1-CD1 3.69Å; V314-I371 HydrophobicContact CG1-CG1 4.15Å
315	V	98.9	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.6	166.6	60.2	0	0	0	0	109.7	Y338 T340 L360 V363 V367 V369 V370 I371	V315-Y338 CarbonylContact C-O 3.56Å; V315-Y338 WeakPolarHBondContact CA-O 3.44Å; V315-T340 HydrophobicContact CG2-CG2 3.8Å; V315-L360 HydrophobicContact CG1-CD1 3.84Å; V315-L360 HydrophobicContact CG2-CD1 4.02Å; V315-V363 HydrophobicContact CB-CG2 4.24Å; V315-V363 HydrophobicContact CG2-CG2 4.15Å; V315-V367 HydrophobicContact CB-CG1 4.09Å; V315-V367 HydrophobicContact CG1-CB 4.22Å; V315-V367 HydrophobicContact CG1-CG1 4.04Å; V315-V367 HydrophobicContact CG1-CG2 3.91Å; V315-V369 PolarHBondContact N-O 3.46Å; V315-V370 HydrophobicContact CG1-CB 4.11Å; V315-V370 HydrophobicContact CG1-CG1 4.06Å; V315-V370 HydrophobicContact CG1-CG2 3.66Å; V315-I371 PolarHBondContact O-N 2.79Å
316	V	98.9	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.3	173.5	-176.5	0	0	0	0	108.1	V314 L330 V337 Y338 I339 T340 I371 C373	V314-V316 HydrophobicContact CG1-CG2 4.22Å; V316-L330 HydrophobicContact CG2-CD1 4.45Å; V316-V337 HydrophobicContact CG2-CG1 4.02Å; V316-Y338 PolarHBondContact N-O 3.13Å; V316-I339 HydrophobicContact CB-CD1 4.06Å; V316-I339 WeakPolarHBondContact O-CA 3.22Å; V316-T340 PolarHBondContact O-N 3.43Å; V316-I371 CarbonylContact C-O 3.38Å; V316-I371 WeakPolarHBondContact CA-O 3.32Å; V316-I371 HydrophobicContact CG2-CB 4.33Å; V316-I371 HydrophobicContact CG2-CD1 4.21Å; V316-C373 HydrophobicContact CG1-CB 4.39Å
317	C	98.6	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114	178.8	-53.7	0	0	0	0	109.6	T340 I371 T372 C373 T374 V379	C317-T340 VanDerWaalsContact CA-OG1 3.25Å; C317-T340 WeakPolarHBondContact CA-OG1 3.33Å; C317-T340 VanDerWaalsContact CB-OG1 3.31Å; C317-T340 WeakPolarHBondContact CB-OG1 3.45Å; C317-T340 PolarHBondContact SG-OG1 2.98Å; C317-I371 PolarHBondContact N-O 3.28Å; C317-T372 HydrophobicContact CB-CG2 4.39Å; C317-C373 CarbonylContact O-C 3.6Å; C317-C373 WeakPolarHBondContact O-CA 3.26Å; C317-C373 WeakPolarHBondContact O-CB 3.35Å; C317-C373 PolarHBondContact O-N 3.25Å; C317-T374 HydrophobicContact CB-CG2 4.08Å; C317-T374 WeakPolarHBondContact O-CG2 3.35Å; C317-V379 HydrophobicContact CB-CG1 3.58Å
318	G	98.2	Very high	97.8	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	15%	0.15	C	C	.	.			trans	97.3	135.1	-172	0	0	0	0	0	112.6	G323 T340	G318-G323 WeakPolarHBondContact O-CA 3.38Å; G318-T340 PolarHBondContact N-O 3.01Å
319	Y	98.5	Very high	97.8	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.016	12%	0.122	C	C	.	.			trans	-128.3	32.4	-179.4	-154.8	-107.4	0	0	0	112.6	K324 C327 I339 E341 C346 Q349 A350 D353 F355	Y319-K324 HydrophobicContact CD1-CG 3.93Å; Y319-K324 HydrophobicContact CD2-CG 4.46Å; Y319-K324 HydrophobicContact CE1-CD 4.42Å; Y319-K324 HydrophobicContact CE1-CG 3.64Å; Y319-K324 HydrophobicContact CE2-CG 4.22Å; Y319-K324 HydrophobicContact CG-CG 4.33Å; Y319-K324 PolarHBondContact O-NZ 2.78Å; Y319-C327 HydrophobicContact CE2-CB 3.86Å; Y319-I339 HydrophobicContact CD2-CD1 3.77Å; Y319-I339 HydrophobicContact CD2-CG1 4.06Å; Y319-I339 HydrophobicContact CD2-CG2 4.01Å; Y319-I339 HydrophobicContact CE2-CD1 4.03Å; Y319-I339 HydrophobicContact CE2-CG1 4.33Å; Y319-I339 HydrophobicContact CG-CG2 4.15Å; Y319-E341 WeakPolarHBondContact CA-OE1 3.14Å; Y319-E341 PolarHBondContact N-OE1 2.99Å; Y319-C346 WeakPolarHBondContact CD1-O 2.97Å; Y319-Q349 HydrophobicContact CD1-CB 4.43Å; Y319-Q349 HydrophobicContact CE1-CB 4.22Å; Y319-A350 HydrophobicContact CD1-CB 3.58Å; Y319-A350 HydrophobicContact CD2-CB 4.1Å; Y319-A350 HydrophobicContact CE1-CB 3.7Å; Y319-A350 HydrophobicContact CE2-CB 4.19Å; Y319-A350 HydrophobicContact CG-CB 3.8Å; Y319-D353 WeakPolarHBondContact CE1-OD2 3.44Å; Y319-D353 WeakPolarHBondContact OH-CB 3.04Å; Y319-D353 PolarHBondContact OH-OD2 3Å; Y319-F355 AromaticContact CE2-CD2 3.97Å; Y319-F355 HydrophobicContact CE2-CD2 3.97Å; Y319-F355 HydrophobicContact CE2-CE2 4.09Å; Y319-F355 AromaticContact CZ-CD2 3.91Å; Y319-F355 AromaticContact CZ-CE2 3.99Å; Y319-F355 WeakPolarHBondContact OH-CD2 3.33Å; Y319-F355 WeakPolarHBondContact OH-CE2 3.26Å
320	G	95.8	Very high	97.9	Very high	28 Å²	28	17 Å²	17	29%	0.289	12%	0.119	S	C	.	.	S	Bend	trans	-66.4	-167	158.8	0	0	0	0	0	111.9	V322 G323 K324	G320-V322 PolarHBondContact O-N 2.96Å; G320-G323 PolarHBondContact O-N 3.41Å; G320-K324 WeakPolarHBondContact O-CB 2.86Å; G320-K324 VanDerWaalsContact O-CG 3.31Å; G320-K324 WeakPolarHBondContact O-CG 3.32Å; G320-K324 PolarHBondContact O-N 2.9Å
321	E	94.9	Very high	97.9	Very high	28 Å²	28	20.1 Å²	20.1	13%	0.131	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-41.4	-176.2	-57.8	-50.9	135.4	0	0	113.5	Q285 K286 N289 L290 K324 G325	Q285-E321 HydrophobicContact CG-CG 3.87Å; K286-E321 HydrophobicContact CD-CG 4.46Å; K286-E321 WeakPolarHBondContact CD-OE2 3.45Å; K286-E321 IonicContact NZ-OE1 3.66Å; K286-E321 PolarHBondContact NZ-OE1 3.33Å; K286-E321 IonicContact NZ-OE2 3.98Å; K286-E321 PolarHBondContact NZ-OE2 3.38Å; N289-E321 HydrophobicContact CB-CB 3.8Å; N289-E321 CarbonylContact O-C 3.55Å; L290-E321 HydrophobicContact CB-CB 4.41Å; L290-E321 WeakPolarHBondContact CD1-O 3.35Å; E321-K324 PolarHBondContact O-N 2.59Å; E321-K324 IonicContact OE1-NZ 3.81Å; E321-G325 PolarHBondContact O-N 3.34Å
322	V	94.8	Very high	97.9	Very high	30 Å²	30	21.7 Å²	21.7	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-49	174.6	177.3	0	0	0	0	111	N289 C293 G320 G325 C326 C373 M397	N289-V322 HydrophobicContact CB-CG2 4.09Å; N289-V322 WeakPolarHBondContact O-CA 3.45Å; N289-V322 PolarHBondContact O-N 3.07Å; C293-V322 HydrophobicContact CB-CG1 4.24Å; G320-V322 PolarHBondContact O-N 2.96Å; V322-G325 PolarHBondContact O-N 3.16Å; V322-C326 PolarHBondContact O-N 3.39Å; V322-C326 PolarHBondContact O-SG 2.78Å; V322-C373 HydrophobicContact CB-CB 4.36Å; V322-C373 HydrophobicContact CG1-CB 3.9Å; V322-M397 HydrophobicContact CG1-CB 3.82Å
323	G	97.9	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.2	-50.4	176.4	0	0	0	0	0	111.9	G318 G320 G325 C326 C327	G318-G323 WeakPolarHBondContact O-CA 3.38Å; G320-G323 PolarHBondContact O-N 3.41Å; G323-G325 VanDerWaalsContact C-N 3.32Å; G323-G325 PolarHBondContact O-N 2.91Å; G323-C326 PolarHBondContact O-N 3.33Å; G323-C327 WeakPolarHBondContact O-CB 3.43Å; G323-C327 PolarHBondContact O-N 2.72Å; G323-C327 PolarHBondContact O-SG 3.09Å
324	K	98.6	Very high	97.9	Very high	27 Å²	27	22.6 Å²	22.6	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-54.3	-46.5	176.7	-74.3	178.3	176.5	85.9	0	111.8	L290 Y319 G320 E321 C327 A328	L290-K324 HydrophobicContact CD1-CB 3.72Å; Y319-K324 HydrophobicContact CD1-CG 3.93Å; Y319-K324 HydrophobicContact CD2-CG 4.46Å; Y319-K324 HydrophobicContact CE1-CD 4.42Å; Y319-K324 HydrophobicContact CE1-CG 3.64Å; Y319-K324 HydrophobicContact CE2-CG 4.22Å; Y319-K324 HydrophobicContact CG-CG 4.33Å; Y319-K324 PolarHBondContact O-NZ 2.78Å; G320-K324 WeakPolarHBondContact O-CB 2.86Å; G320-K324 VanDerWaalsContact O-CG 3.31Å; G320-K324 WeakPolarHBondContact O-CG 3.32Å; G320-K324 PolarHBondContact O-N 2.9Å; E321-K324 PolarHBondContact O-N 2.59Å; E321-K324 IonicContact OE1-NZ 3.81Å; K324-C327 PolarHBondContact O-N 2.98Å; K324-A328 WeakPolarHBondContact O-CB 3.38Å; K324-A328 PolarHBondContact O-N 3.13Å
325	G	97.8	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-50.2	177.7	0	0	0	0	0	111.8	L290 R294 E321 V322 G323 C327 A328 A329	L290-G325 WeakPolarHBondContact O-CA 3.37Å; R294-G325 WeakPolarHBondContact CA-O 3.45Å; R294-G325 WeakPolarHBondContact CG-O 3.28Å; E321-G325 PolarHBondContact O-N 3.34Å; V322-G325 PolarHBondContact O-N 3.16Å; G323-G325 VanDerWaalsContact C-N 3.32Å; G323-G325 PolarHBondContact O-N 2.91Å; G325-C327 PolarHBondContact O-N 2.75Å; G325-A328 PolarHBondContact O-N 3.06Å; G325-A329 PolarHBondContact O-N 2.9Å; G325-A329 VanDerWaalsContact O-N 3.16Å
326	C	98.3	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-45.6	179.3	-64.5	0	0	0	0	112.3	I297 V322 G323 A329 L330	I297-C326 HydrophobicContact CG1-CB 4.36Å; I297-C326 HydrophobicContact CG2-CB 4.48Å; V322-C326 PolarHBondContact O-N 3.39Å; V322-C326 PolarHBondContact O-SG 2.78Å; G323-C326 PolarHBondContact O-N 3.33Å; C326-A329 PolarHBondContact O-N 2.9Å; C326-L330 WeakPolarHBondContact O-CD1 3.41Å; C326-L330 WeakPolarHBondContact O-CG 3.49Å; C326-L330 PolarHBondContact O-N 2.92Å; C326-L330 VanDerWaalsContact O-N 3.08Å
327	C	98.6	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-43.1	-177.1	-63.4	0	0	0	0	112	Y319 G323 K324 G325 A329 K331 V337 I339 F355	Y319-C327 HydrophobicContact CE2-CB 3.86Å; G323-C327 WeakPolarHBondContact O-CB 3.43Å; G323-C327 PolarHBondContact O-N 2.72Å; G323-C327 PolarHBondContact O-SG 3.09Å; K324-C327 PolarHBondContact O-N 2.98Å; G325-C327 PolarHBondContact O-N 2.75Å; C327-A329 VanDerWaalsContact C-N 3.34Å; C327-A329 PolarHBondContact O-N 3.32Å; C327-K331 WeakPolarHBondContact O-CB 3.01Å; C327-K331 PolarHBondContact O-N 2.95Å; C327-V337 HydrophobicContact CB-CG1 4.2Å; C327-I339 HydrophobicContact CB-CD1 4.3Å; C327-I339 WeakPolarHBondContact SG-CD1 3.43Å; C327-F355 HydrophobicContact CB-CE1 3.89Å; C327-F355 HydrophobicContact CB-CE2 4.03Å; C327-F355 HydrophobicContact CB-CZ 3.58Å
328	A	98.3	Very high	97.9	Very high	45 Å²	45	28.8 Å²	28.8	37%	0.372	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-44.8	176.5	0	0	0	0	0	111.6	K324 G325 A332	K324-A328 WeakPolarHBondContact O-CB 3.38Å; K324-A328 PolarHBondContact O-N 3.13Å; G325-A328 PolarHBondContact O-N 3.06Å; A328-A332 WeakPolarHBondContact O-CB 3.49Å; A328-A332 PolarHBondContact O-N 3.22Å; A328-A332 VanDerWaalsContact O-N 3.08Å
329	A	98	Very high	97.9	Very high	6 Å²	6	28.6 Å²	28.6	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-49.9	179.8	0	0	0	0	0	112.7	R294 I297 L298 G325 C326 C327 A332 L333	R294-A329 HydrophobicContact CG-CB 3.87Å; R294-A329 WeakPolarHBondContact O-CB 3.48Å; I297-A329 HydrophobicContact CG2-CB 3.91Å; L298-A329 HydrophobicContact CD1-CB 3.87Å; L298-A329 HydrophobicContact CD2-CB 4.06Å; L298-A329 HydrophobicContact CG-CB 3.86Å; G325-A329 PolarHBondContact O-N 2.9Å; G325-A329 VanDerWaalsContact O-N 3.16Å; C326-A329 PolarHBondContact O-N 2.9Å; C327-A329 VanDerWaalsContact C-N 3.34Å; C327-A329 PolarHBondContact O-N 3.32Å; A329-A332 PolarHBondContact O-N 3.36Å; A329-L333 PolarHBondContact O-N 2.82Å
330	L	98.5	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69	-40.3	-176.4	-69.5	163.1	0	0	0	111.7	I297 L298 L301 F309 V314 V316 C326 A332 L333 G334 A335 V337 I371	I297-L330 HydrophobicContact CG1-CD1 4.45Å; L298-L330 HydrophobicContact CD2-CD2 3.89Å; L298-L330 HydrophobicContact CD2-CG 4.34Å; L301-L330 HydrophobicContact CD1-CD2 4.18Å; F309-L330 HydrophobicContact CD1-CD2 3.9Å; F309-L330 HydrophobicContact CE1-CD2 4.1Å; V314-L330 HydrophobicContact CG1-CD1 3.94Å; V316-L330 HydrophobicContact CG2-CD1 4.45Å; C326-L330 WeakPolarHBondContact O-CD1 3.41Å; C326-L330 WeakPolarHBondContact O-CG 3.49Å; C326-L330 PolarHBondContact O-N 2.92Å; C326-L330 VanDerWaalsContact O-N 3.08Å; L330-A332 VanDerWaalsContact C-N 3.32Å; L330-A332 PolarHBondContact O-N 3.44Å; L330-L333 PolarHBondContact O-N 3Å; L330-G334 PolarHBondContact O-N 2.65Å; L330-A335 HydrophobicContact CB-CB 4.12Å; L330-A335 VanDerWaalsContact O-CB 3.25Å; L330-A335 WeakPolarHBondContact O-CB 3.43Å; L330-A335 PolarHBondContact O-N 2.92Å; L330-V337 HydrophobicContact CB-CG2 3.89Å; L330-I371 HydrophobicContact CD1-CD1 3.45Å; L330-I371 VanDerWaalsContact CD1-CD1 3.45Å
331	K	98.3	Very high	98.1	Very high	93 Å²	93	30.4 Å²	30.4	40%	0.404	18%	0.183	S	C	.	.	H	α-helix	trans	-60.7	-41.2	173.9	-179.6	168.6	176.7	170.5	0	111.6	C327 L333 G334 D353 G354 F355	C327-K331 WeakPolarHBondContact O-CB 3.01Å; C327-K331 PolarHBondContact O-N 2.95Å; K331-L333 PolarHBondContact O-N 3.01Å; K331-G334 PolarHBondContact O-N 3.39Å; K331-D353 PolarHBondContact NZ-O 3.22Å; K331-G354 PolarHBondContact NZ-O 3.33Å; K331-F355 HydrophobicContact CB-CE1 3.96Å; K331-F355 HydrophobicContact CB-CZ 4.19Å; K331-F355 HydrophobicContact CD-CD1 4.35Å; K331-F355 HydrophobicContact CD-CE1 3.48Å; K331-F355 VanDerWaalsContact CD-CE1 3.48Å; K331-F355 HydrophobicContact CD-CE2 4.47Å; K331-F355 HydrophobicContact CD-CZ 3.54Å; K331-F355 HydrophobicContact CG-CE1 4.29Å
332	A	98.1	Very high	98.2	Very high	84 Å²	84	36.6 Å²	36.6	69%	0.694	22%	0.215	S	C	*	.	H	α-helix	trans	-63.3	-27.8	177.8	0	0	0	0	0	113.2	A328 A329 L330 G334	A328-A332 WeakPolarHBondContact O-CB 3.49Å; A328-A332 PolarHBondContact O-N 3.22Å; A328-A332 VanDerWaalsContact O-N 3.08Å; A329-A332 PolarHBondContact O-N 3.36Å; L330-A332 VanDerWaalsContact C-N 3.32Å; L330-A332 PolarHBondContact O-N 3.44Å; A332-G334 VanDerWaalsContact C-N 3.3Å
333	L	98.1	Very high	98.4	Very high	81 Å²	81	38.2 Å²	38.2	42%	0.424	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11.5	173.4	-62.9	-175.2	0	0	0	113.9	L298 F309 G310 A329 L330 K331	L298-L333 HydrophobicContact CD1-CD1 3.72Å; L298-L333 HydrophobicContact CD1-CG 4.36Å; L298-L333 HydrophobicContact CD2-CD1 3.56Å; L298-L333 HydrophobicContact CD2-CG 4.48Å; L298-L333 HydrophobicContact CG-CD1 4.17Å; F309-L333 HydrophobicContact CB-CB 3.92Å; F309-L333 HydrophobicContact CB-CD1 4.48Å; F309-L333 HydrophobicContact CD2-CB 4.22Å; F309-L333 HydrophobicContact CD2-CD1 3.25Å; F309-L333 HydrophobicContact CD2-CG 4.38Å; F309-L333 HydrophobicContact CE2-CD1 3.58Å; F309-L333 HydrophobicContact CG-CB 4.39Å; F309-L333 HydrophobicContact CG-CD1 4.08Å; G310-L333 WeakPolarHBondContact CA-O 3.47Å; G310-L333 PolarHBondContact N-O 3.41Å; A329-L333 PolarHBondContact O-N 2.82Å; L330-L333 PolarHBondContact O-N 3Å; K331-L333 PolarHBondContact O-N 3.01Å
334	G	98.1	Very high	98.4	Very high	41 Å²	41	43 Å²	43	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	17.4	174.5	0	0	0	0	0	114.9	G311 L330 K331 A332	G311-G334 PolarHBondContact N-O 2.9Å; L330-G334 PolarHBondContact O-N 2.65Å; K331-G334 PolarHBondContact O-N 3.39Å; A332-G334 VanDerWaalsContact C-N 3.3Å
335	A	98.6	Very high	98.4	Very high	10 Å²	10	47.1 Å²	47.1	8%	0.083	28%	0.277	C	S	.	.			trans	-72.5	148.4	170.4	0	0	0	0	0	111.2	V314 L330 V337	V314-A335 HydrophobicContact CG2-CB 3.96Å; L330-A335 HydrophobicContact CB-CB 4.12Å; L330-A335 VanDerWaalsContact O-CB 3.25Å; L330-A335 WeakPolarHBondContact O-CB 3.43Å; L330-A335 PolarHBondContact O-N 2.92Å; A335-V337 HydrophobicContact CB-CG2 4.23Å
336	I	98.6	Very high	98.4	Very high	84 Å²	84	48.1 Å²	48.1	43%	0.431	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	103.6	172.2	-58	169.8	0	0	0	107.3	K312 Q313 V314 Y338	K312-I336 PolarHBondContact O-N 3.38Å; Q313-I336 WeakPolarHBondContact CA-O 3.47Å; Q313-I336 HydrophobicContact CG-CB 4.41Å; Q313-I336 HydrophobicContact CG-CD1 4.47Å; V314-I336 PolarHBondContact N-O 3.31Å; I336-Y338 HydrophobicContact CG2-CE2 4.17Å
337	V	98.8	Very high	98.5	Very high	11 Å²	11	49 Å²	49	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.3	-172.1	-176.1	0	0	0	0	111.3	V314 V316 C327 L330 A335 I339 F355	V314-V337 CarbonylContact O-C 3.43Å; V314-V337 WeakPolarHBondContact O-CA 3.39Å; V316-V337 HydrophobicContact CG2-CG1 4.02Å; C327-V337 HydrophobicContact CB-CG1 4.2Å; L330-V337 HydrophobicContact CB-CG2 3.89Å; A335-V337 HydrophobicContact CB-CG2 4.23Å; V337-I339 HydrophobicContact CG1-CD1 3.89Å; V337-F355 HydrophobicContact CB-CD1 3.79Å; V337-F355 HydrophobicContact CB-CE1 3.78Å; V337-F355 HydrophobicContact CG1-CD1 3.99Å; V337-F355 HydrophobicContact CG1-CE1 4.02Å; V337-F355 HydrophobicContact CG2-CE1 4.34Å
338	Y	98.8	Very high	98.5	Very high	28 Å²	28	54.2 Å²	54.2	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.6	169.9	-56	-78.5	0	0	0	110.3	Q313 V314 V315 V316 I336 R356 V358 V363 V367	Q313-Y338 HydrophobicContact CB-CE2 4.08Å; Q313-Y338 HydrophobicContact CG-CE2 4.2Å; Q313-Y338 PolarHBondContact OE1-OH 2.95Å; V314-Y338 PolarHBondContact O-N 2.83Å; V315-Y338 CarbonylContact C-O 3.56Å; V315-Y338 WeakPolarHBondContact CA-O 3.44Å; V316-Y338 PolarHBondContact N-O 3.13Å; I336-Y338 HydrophobicContact CG2-CE2 4.17Å; Y338-R356 HydrophobicContact CD1-CB 4.17Å; Y338-V358 HydrophobicContact CD1-CG1 4.19Å; Y338-V358 HydrophobicContact CG-CG2 4.49Å; Y338-V363 HydrophobicContact CD1-CG1 4.47Å; Y338-V363 HydrophobicContact CG-CG1 4.45Å; Y338-V367 HydrophobicContact CD2-CG1 4.17Å; Y338-V367 HydrophobicContact CE2-CG1 4.43Å
339	I	98.8	Very high	98.5	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.4	-178.9	-54.1	-57.3	0	0	0	110.1	V316 Y319 C327 V337 E341 A350 F355 R356 V357 V358	V316-I339 HydrophobicContact CB-CD1 4.06Å; V316-I339 WeakPolarHBondContact O-CA 3.22Å; Y319-I339 HydrophobicContact CD2-CD1 3.77Å; Y319-I339 HydrophobicContact CD2-CG1 4.06Å; Y319-I339 HydrophobicContact CD2-CG2 4.01Å; Y319-I339 HydrophobicContact CE2-CD1 4.03Å; Y319-I339 HydrophobicContact CE2-CG1 4.33Å; Y319-I339 HydrophobicContact CG-CG2 4.15Å; C327-I339 HydrophobicContact CB-CD1 4.3Å; C327-I339 WeakPolarHBondContact SG-CD1 3.43Å; V337-I339 HydrophobicContact CG1-CD1 3.89Å; I339-E341 HydrophobicContact CG2-CG 4.27Å; I339-A350 HydrophobicContact CB-CB 4.33Å; I339-A350 HydrophobicContact CG1-CB 4.1Å; I339-A350 HydrophobicContact CG2-CB 4.14Å; I339-F355 HydrophobicContact CD1-CB 4.47Å; I339-F355 HydrophobicContact CD1-CG 4.45Å; I339-F355 HydrophobicContact CG1-CB 3.65Å; I339-F355 HydrophobicContact CG1-CG 4.12Å; I339-R356 PolarHBondContact N-O 3.29Å; I339-V357 HydrophobicContact CB-CG2 4.33Å; I339-V357 CarbonylContact O-C 3.36Å; I339-V357 WeakPolarHBondContact O-CA 3.29Å; I339-V358 PolarHBondContact O-N 3.15Å
340	T	98.8	Very high	98.5	Very high	22 Å²	22	55.7 Å²	55.7	14%	0.135	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.3	161.3	77.9	0	0	0	0	109	V315 V316 C317 G318 V358 L360	V315-T340 HydrophobicContact CG2-CG2 3.8Å; V316-T340 PolarHBondContact O-N 3.43Å; C317-T340 VanDerWaalsContact CA-OG1 3.25Å; C317-T340 WeakPolarHBondContact CA-OG1 3.33Å; C317-T340 VanDerWaalsContact CB-OG1 3.31Å; C317-T340 WeakPolarHBondContact CB-OG1 3.45Å; C317-T340 PolarHBondContact SG-OG1 2.98Å; G318-T340 PolarHBondContact N-O 3.01Å; T340-V358 WeakPolarHBondContact CG2-O 3.49Å; T340-L360 HydrophobicContact CG2-CB 4.1Å
341	E	98.6	Very high	98.5	Very high	48 Å²	48	58.8 Å²	58.8	22%	0.224	34%	0.337	C	S	.	.			trans	-148.3	147.7	180	-106.6	-62.7	178.1	0	0	111.2	Y319 I339 D343 C346 A347	Y319-E341 WeakPolarHBondContact CA-OE1 3.14Å; Y319-E341 PolarHBondContact N-OE1 2.99Å; I339-E341 HydrophobicContact CG2-CG 4.27Å; E341-D343 PolarHBondContact OE2-N 2.82Å; E341-C346 HydrophobicContact CG-CB 3.92Å; E341-C346 WeakPolarHBondContact OE1-CB 3.14Å; E341-A347 HydrophobicContact CB-CB 3.93Å
342	I	98.1	Very high	98.5	Very high	158 Å²	158	61.6 Å²	61.6	81%	0.81	35%	0.353	S	S	*	.	S	Bend	trans	-102.2	-27.9	172.2	63.4	171.9	0	0	0	111.4
343	D	98.3	Very high	98.6	Very high	65 Å²	65	61.3 Å²	61.3	35%	0.348	34%	0.34	S	S	.	.			trans	-85.7	119.2	179.1	-173.4	-32.9	0	0	0	109.7	E341 I345 C346 A347	E341-D343 PolarHBondContact OE2-N 2.82Å; D343-I345 PolarHBondContact O-N 3.41Å; D343-I345 WeakPolarHBondContact OD1-CB 3.49Å; D343-I345 PolarHBondContact OD1-N 3.32Å; D343-C346 HydrophobicContact CB-CB 4.12Å; D343-C346 PolarHBondContact O-N 3.12Å; D343-A347 WeakPolarHBondContact O-CB 3.37Å; D343-A347 PolarHBondContact O-N 2.67Å
344	P	98.4	Very high	98.6	Very high	100 Å²	100	60 Å²	60	65%	0.649	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-26.2	-179.2	26.9	-35.1	0	0	0	113.6	L348	P344-L348 VanDerWaalsContact O-CB 3.25Å; P344-L348 WeakPolarHBondContact O-CB 3.22Å; P344-L348 PolarHBondContact O-N 3Å
345	I	98.6	Very high	98.6	Very high	114 Å²	114	58.8 Å²	58.8	59%	0.585	33%	0.329	S	S	*	.	H	α-helix	trans	-69.7	-49.7	176.4	-60.2	174.6	0	0	0	109.3	D343 L348 Q349	D343-I345 PolarHBondContact O-N 3.41Å; D343-I345 WeakPolarHBondContact OD1-CB 3.49Å; D343-I345 PolarHBondContact OD1-N 3.32Å; I345-L348 PolarHBondContact O-N 2.78Å; I345-Q349 WeakPolarHBondContact O-CG 3.45Å; I345-Q349 PolarHBondContact O-N 3.25Å
346	C	98.5	Very high	98.6	Very high	21 Å²	21	66.2 Å²	66.2	14%	0.142	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-41.6	176.7	-67.8	0	0	0	0	111.5	Y319 E341 D343 Q349 A350	Y319-C346 WeakPolarHBondContact CD1-O 2.97Å; E341-C346 HydrophobicContact CG-CB 3.92Å; E341-C346 WeakPolarHBondContact OE1-CB 3.14Å; D343-C346 HydrophobicContact CB-CB 4.12Å; D343-C346 PolarHBondContact O-N 3.12Å; C346-Q349 WeakPolarHBondContact O-CB 3.34Å; C346-Q349 PolarHBondContact O-N 2.98Å; C346-A350 PolarHBondContact O-N 3.47Å
347	A	98.8	Very high	98.6	Very high	19 Å²	19	64.5 Å²	64.5	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-43.8	175.1	0	0	0	0	0	112	E341 D343 A350 C351 V357	E341-A347 HydrophobicContact CB-CB 3.93Å; D343-A347 WeakPolarHBondContact O-CB 3.37Å; D343-A347 PolarHBondContact O-N 2.67Å; A347-A350 WeakPolarHBondContact O-CB 2.84Å; A347-A350 PolarHBondContact O-N 2.96Å; A347-C351 PolarHBondContact O-N 3Å; A347-C351 PolarHBondContact O-SG 3.01Å; A347-C351 VanDerWaalsContact O-SG 3.41Å; A347-V357 HydrophobicContact CB-CG1 4.25Å; A347-V357 HydrophobicContact CB-CG2 4.34Å; A347-V357 WeakPolarHBondContact O-CG2 2.73Å
348	L	98.8	Very high	98.6	Very high	109 Å²	109	64.6 Å²	64.6	57%	0.571	35%	0.349	S	S	*	.	H	α-helix	trans	-63	-42.6	176.2	-178.1	60.7	0	0	0	111.1	P344 I345 A350 C351 M352	P344-L348 VanDerWaalsContact O-CB 3.25Å; P344-L348 WeakPolarHBondContact O-CB 3.22Å; P344-L348 PolarHBondContact O-N 3Å; I345-L348 PolarHBondContact O-N 2.78Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.47Å; L348-C351 WeakPolarHBondContact O-CB 3.27Å; L348-C351 PolarHBondContact O-N 2.67Å; L348-M352 HydrophobicContact CD1-CG 4.42Å; L348-M352 VanDerWaalsContact O-CG 3.27Å; L348-M352 WeakPolarHBondContact O-CG 3.4Å; L348-M352 PolarHBondContact O-N 3.49Å
349	Q	98.7	Very high	98.6	Very high	82 Å²	82	70.3 Å²	70.3	38%	0.383	37%	0.374	S	S	.	.	H	α-helix	trans	-58.3	-45.6	173.6	-71.6	-174.5	-50.7	0	0	111.8	Y319 I345 C346 C351 M352 D353	Y319-Q349 HydrophobicContact CD1-CB 4.43Å; Y319-Q349 HydrophobicContact CE1-CB 4.22Å; I345-Q349 WeakPolarHBondContact O-CG 3.45Å; I345-Q349 PolarHBondContact O-N 3.25Å; C346-Q349 WeakPolarHBondContact O-CB 3.34Å; C346-Q349 PolarHBondContact O-N 2.98Å; Q349-C351 VanDerWaalsContact C-N 3.32Å; Q349-C351 PolarHBondContact O-N 2.9Å; Q349-M352 PolarHBondContact O-N 2.79Å; Q349-M352 VanDerWaalsContact O-N 3.1Å; Q349-D353 VanDerWaalsContact O-CG 3.3Å; Q349-D353 PolarHBondContact O-N 3.3Å
350	A	98.8	Very high	98.6	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-57.5	-44.5	176.7	0	0	0	0	0	112.2	Y319 I339 C346 A347 L348 M352 D353 G354 F355 V357	Y319-A350 HydrophobicContact CD1-CB 3.58Å; Y319-A350 HydrophobicContact CD2-CB 4.1Å; Y319-A350 HydrophobicContact CE1-CB 3.7Å; Y319-A350 HydrophobicContact CE2-CB 4.19Å; Y319-A350 HydrophobicContact CG-CB 3.8Å; I339-A350 HydrophobicContact CB-CB 4.33Å; I339-A350 HydrophobicContact CG1-CB 4.1Å; I339-A350 HydrophobicContact CG2-CB 4.14Å; C346-A350 PolarHBondContact O-N 3.47Å; A347-A350 WeakPolarHBondContact O-CB 2.84Å; A347-A350 PolarHBondContact O-N 2.96Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.47Å; A350-M352 VanDerWaalsContact C-N 3.35Å; A350-M352 PolarHBondContact O-N 3.26Å; A350-D353 PolarHBondContact O-N 3.07Å; A350-G354 PolarHBondContact O-N 3.37Å; A350-F355 HydrophobicContact CB-CB 4.45Å; A350-F355 WeakPolarHBondContact O-CB 3.43Å; A350-F355 PolarHBondContact O-N 2.9Å; A350-V357 HydrophobicContact CB-CG2 3.8Å
351	C	98.7	Very high	98.5	Very high	65 Å²	65	73.4 Å²	73.4	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-59.9	-44.3	174.4	-70.1	0	0	0	0	111.9	A347 L348 Q349 D353 G354 V357	A347-C351 PolarHBondContact O-N 3Å; A347-C351 PolarHBondContact O-SG 3.01Å; A347-C351 VanDerWaalsContact O-SG 3.41Å; L348-C351 WeakPolarHBondContact O-CB 3.27Å; L348-C351 PolarHBondContact O-N 2.67Å; Q349-C351 VanDerWaalsContact C-N 3.32Å; Q349-C351 PolarHBondContact O-N 2.9Å; C351-D353 VanDerWaalsContact C-N 3.33Å; C351-D353 PolarHBondContact O-N 3.44Å; C351-G354 WeakPolarHBondContact O-CA 3.31Å; C351-G354 PolarHBondContact O-N 3.15Å; C351-V357 VanDerWaalsContact SG-CG2 3.57Å
352	M	98.6	Very high	98.5	Very high	151 Å²	151	76.3 Å²	76.3	74%	0.744	40%	0.403	S	S	*	.	H	α-helix	trans	-68.6	-30.1	179.7	-64.9	-57.1	-66.7	0	0	113	L348 Q349 A350 G354	L348-M352 HydrophobicContact CD1-CG 4.42Å; L348-M352 VanDerWaalsContact O-CG 3.27Å; L348-M352 WeakPolarHBondContact O-CG 3.4Å; L348-M352 PolarHBondContact O-N 3.49Å; Q349-M352 PolarHBondContact O-N 2.79Å; Q349-M352 VanDerWaalsContact O-N 3.1Å; A350-M352 VanDerWaalsContact C-N 3.35Å; A350-M352 PolarHBondContact O-N 3.26Å; M352-G354 PolarHBondContact O-N 2.87Å
353	D	98.4	Very high	98.5	Very high	79 Å²	79	69.1 Å²	69.1	42%	0.422	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.1	172.1	-65.9	-24.7	0	0	0	112.5	Y319 K331 Q349 A350 C351 F355	Y319-D353 WeakPolarHBondContact CE1-OD2 3.44Å; Y319-D353 WeakPolarHBondContact OH-CB 3.04Å; Y319-D353 PolarHBondContact OH-OD2 3Å; K331-D353 PolarHBondContact NZ-O 3.22Å; Q349-D353 VanDerWaalsContact O-CG 3.3Å; Q349-D353 PolarHBondContact O-N 3.3Å; A350-D353 PolarHBondContact O-N 3.07Å; C351-D353 VanDerWaalsContact C-N 3.33Å; C351-D353 PolarHBondContact O-N 3.44Å; D353-F355 HydrophobicContact CB-CD2 3.72Å; D353-F355 HydrophobicContact CB-CE2 3.72Å
354	G	98.2	Very high	98.5	Very high	52 Å²	52	66 Å²	66	54%	0.536	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	30.4	176.1	0	0	0	0	0	113.8	K331 A350 C351 M352	K331-G354 PolarHBondContact NZ-O 3.33Å; A350-G354 PolarHBondContact O-N 3.37Å; C351-G354 WeakPolarHBondContact O-CA 3.31Å; C351-G354 PolarHBondContact O-N 3.15Å; M352-G354 PolarHBondContact O-N 2.87Å
355	F	98.7	Very high	98.5	Very high	17 Å²	17	69.5 Å²	69.5	8%	0.075	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-101.2	148.6	170.5	-59.3	-76	0	0	0	111.2	Y319 C327 K331 V337 I339 A350 D353	Y319-F355 AromaticContact CE2-CD2 3.97Å; Y319-F355 HydrophobicContact CE2-CD2 3.97Å; Y319-F355 HydrophobicContact CE2-CE2 4.09Å; Y319-F355 AromaticContact CZ-CD2 3.91Å; Y319-F355 AromaticContact CZ-CE2 3.99Å; Y319-F355 WeakPolarHBondContact OH-CD2 3.33Å; Y319-F355 WeakPolarHBondContact OH-CE2 3.26Å; C327-F355 HydrophobicContact CB-CE1 3.89Å; C327-F355 HydrophobicContact CB-CE2 4.03Å; C327-F355 HydrophobicContact CB-CZ 3.58Å; K331-F355 HydrophobicContact CB-CE1 3.96Å; K331-F355 HydrophobicContact CB-CZ 4.19Å; K331-F355 HydrophobicContact CD-CD1 4.35Å; K331-F355 HydrophobicContact CD-CE1 3.48Å; K331-F355 VanDerWaalsContact CD-CE1 3.48Å; K331-F355 HydrophobicContact CD-CE2 4.47Å; K331-F355 HydrophobicContact CD-CZ 3.54Å; K331-F355 HydrophobicContact CG-CE1 4.29Å; V337-F355 HydrophobicContact CB-CD1 3.79Å; V337-F355 HydrophobicContact CB-CE1 3.78Å; V337-F355 HydrophobicContact CG1-CD1 3.99Å; V337-F355 HydrophobicContact CG1-CE1 4.02Å; V337-F355 HydrophobicContact CG2-CE1 4.34Å; I339-F355 HydrophobicContact CD1-CB 4.47Å; I339-F355 HydrophobicContact CD1-CG 4.45Å; I339-F355 HydrophobicContact CG1-CB 3.65Å; I339-F355 HydrophobicContact CG1-CG 4.12Å; A350-F355 HydrophobicContact CB-CB 4.45Å; A350-F355 WeakPolarHBondContact O-CB 3.43Å; A350-F355 PolarHBondContact O-N 2.9Å; D353-F355 HydrophobicContact CB-CD2 3.72Å; D353-F355 HydrophobicContact CB-CE2 3.72Å
356	R	98.6	Very high	98.4	Very high	166 Å²	166	68 Å²	68	63%	0.626	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	118	173.5	-171.4	-178.3	171.1	176.9	-3.8	109.6	Y338 I339 V358	Y338-R356 HydrophobicContact CD1-CB 4.17Å; I339-R356 PolarHBondContact N-O 3.29Å; R356-V358 HydrophobicContact CG-CG1 3.8Å
357	V	98.8	Very high	98.4	Very high	48 Å²	48	67 Å²	67	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.2	171.2	-176.4	0	0	0	0	109.4	I339 A347 A350 C351	I339-V357 HydrophobicContact CB-CG2 4.33Å; I339-V357 CarbonylContact O-C 3.36Å; I339-V357 WeakPolarHBondContact O-CA 3.29Å; A347-V357 HydrophobicContact CB-CG1 4.25Å; A347-V357 HydrophobicContact CB-CG2 4.34Å; A347-V357 WeakPolarHBondContact O-CG2 2.73Å; A350-V357 HydrophobicContact CB-CG2 3.8Å; C351-V357 VanDerWaalsContact SG-CG2 3.57Å
358	V	98.8	Very high	98.4	Very high	13 Å²	13	67.7 Å²	67.7	8%	0.079	34%	0.335	C	S	.	.			trans	-139.2	166	-174.5	-60.8	0	0	0	0	110.6	Y338 I339 T340 R356 V363	Y338-V358 HydrophobicContact CD1-CG1 4.19Å; Y338-V358 HydrophobicContact CG-CG2 4.49Å; I339-V358 PolarHBondContact O-N 3.15Å; T340-V358 WeakPolarHBondContact CG2-O 3.49Å; R356-V358 HydrophobicContact CG-CG1 3.8Å; V358-V363 HydrophobicContact CB-CG1 4.26Å; V358-V363 HydrophobicContact CG1-CG1 4.33Å; V358-V363 HydrophobicContact CG2-CG1 3.88Å; V358-V363 HydrophobicContact CG2-CG2 3.94Å
359	K	98.6	Very high	98.4	Very high	148 Å²	148	62.7 Å²	62.7	64%	0.643	31%	0.309	S	S	*	.			trans	-83.3	142.7	162.8	-62.8	178.7	-179.3	176.3	0	109.6	N361 E362	K359-N361 PolarHBondContact O-N 3.22Å; K359-N361 VanDerWaalsContact O-N 3.16Å; K359-E362 HydrophobicContact CB-CG 4.06Å; K359-E362 WeakPolarHBondContact CB-OE1 3.26Å; K359-E362 WeakPolarHBondContact CG-OE1 3.35Å; K359-E362 PolarHBondContact N-OE2 3.4Å; K359-E362 WeakPolarHBondContact O-CB 3.45Å; K359-E362 PolarHBondContact O-N 2.92Å
360	L	98.4	Very high	98.4	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-53.1	-42.3	179	-173.2	56	0	0	0	111.9	V315 T340 E362 V363 I364 V380	V315-L360 HydrophobicContact CG1-CD1 3.84Å; V315-L360 HydrophobicContact CG2-CD1 4.02Å; T340-L360 HydrophobicContact CG2-CB 4.1Å; L360-E362 PolarHBondContact O-N 3.35Å; L360-E362 VanDerWaalsContact O-N 3.14Å; L360-V363 PolarHBondContact O-N 3.37Å; L360-V363 VanDerWaalsContact O-N 3.1Å; L360-I364 HydrophobicContact CD1-CD1 3.94Å; L360-I364 HydrophobicContact CG-CD1 4.2Å; L360-I364 WeakPolarHBondContact O-CB 3.28Å; L360-I364 PolarHBondContact O-N 3.44Å; L360-V380 HydrophobicContact CD2-CG2 4.14Å
361	N	98.1	Very high	98.4	Very high	71 Å²	71	58.8 Å²	58.8	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-23.7	178	-84.6	-29.6	0	0	0	115.5	K359 H384 R387	K359-N361 PolarHBondContact O-N 3.22Å; K359-N361 VanDerWaalsContact O-N 3.16Å; N361-H384 PolarHBondContact OD1-CD2 2.7Å; N361-H384 PolarHBondContact OD1-NE2 2.99Å; N361-R387 PolarHBondContact O-NH2 3.21Å; N361-R387 VanDerWaalsContact O-NH2 3.09Å; N361-R387 PolarHBondContact OD1-NH1 3.42Å; N361-R387 VanDerWaalsContact OD1-NH1 3.08Å
362	E	98.1	Very high	98.4	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-76.8	-29.5	179.1	-65.5	164.9	-162.7	0	0	111.7	K359 L360	K359-E362 HydrophobicContact CB-CG 4.06Å; K359-E362 WeakPolarHBondContact CB-OE1 3.26Å; K359-E362 WeakPolarHBondContact CG-OE1 3.35Å; K359-E362 PolarHBondContact N-OE2 3.4Å; K359-E362 WeakPolarHBondContact O-CB 3.45Å; K359-E362 PolarHBondContact O-N 2.92Å; L360-E362 PolarHBondContact O-N 3.35Å; L360-E362 VanDerWaalsContact O-N 3.14Å
363	V	98.2	Very high	98.3	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-118.5	-11.8	-170	-59.1	0	0	0	0	114.3	V315 Y338 V358 L360 R365 Q366 V367	V315-V363 HydrophobicContact CB-CG2 4.24Å; V315-V363 HydrophobicContact CG2-CG2 4.15Å; Y338-V363 HydrophobicContact CD1-CG1 4.47Å; Y338-V363 HydrophobicContact CG-CG1 4.45Å; V358-V363 HydrophobicContact CB-CG1 4.26Å; V358-V363 HydrophobicContact CG1-CG1 4.33Å; V358-V363 HydrophobicContact CG2-CG1 3.88Å; V358-V363 HydrophobicContact CG2-CG2 3.94Å; L360-V363 PolarHBondContact O-N 3.37Å; L360-V363 VanDerWaalsContact O-N 3.1Å; V363-R365 PolarHBondContact O-N 3.34Å; V363-Q366 HydrophobicContact CB-CG 4.35Å; V363-Q366 WeakPolarHBondContact O-CG 3.39Å; V363-Q366 PolarHBondContact O-N 3.37Å; V363-V367 HydrophobicContact CB-CG1 3.94Å; V363-V367 HydrophobicContact CG2-CG1 4Å; V363-V367 WeakPolarHBondContact O-CG1 3.26Å; V363-V367 PolarHBondContact O-N 3.11Å
364	I	98.3	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30	-172.5	-164.4	60.6	0	0	0	114.3	L360 Q366 V370 H384 R387 M388	L360-I364 HydrophobicContact CD1-CD1 3.94Å; L360-I364 HydrophobicContact CG-CD1 4.2Å; L360-I364 WeakPolarHBondContact O-CB 3.28Å; L360-I364 PolarHBondContact O-N 3.44Å; I364-Q366 VanDerWaalsContact C-N 3.32Å; I364-Q366 PolarHBondContact O-N 3.39Å; I364-V370 HydrophobicContact CD1-CG2 4.05Å; I364-H384 HydrophobicContact CD1-CB 4.25Å; I364-H384 HydrophobicContact CG1-CB 4.08Å; I364-H384 WeakPolarHBondContact CG1-O 3.24Å; I364-R387 HydrophobicContact CG2-CB 4.05Å; I364-M388 HydrophobicContact CD1-CE 3.58Å; I364-M388 HydrophobicContact CD1-CG 3.77Å; I364-M388 HydrophobicContact CG1-CG 3.9Å
365	R	98.3	Very high	97.6	Very high	173 Å²	173	48.2 Å²	48.2	65%	0.653	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.7	-179.9	-71	-179.8	173.9	173.3	1.7	114.2	V363 R387	V363-R365 PolarHBondContact O-N 3.34Å; R365-R387 HydrophobicContact CG-CB 4.38Å; R365-R387 WeakPolarHBondContact CG-O 3.49Å
366	Q	97.3	Very high	97.1	Very high	82 Å²	82	51.6 Å²	51.6	38%	0.383	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-23.7	-169.7	57.2	179.2	24.3	0	0	114.1	V363 I364 K389	V363-Q366 HydrophobicContact CB-CG 4.35Å; V363-Q366 WeakPolarHBondContact O-CG 3.39Å; V363-Q366 PolarHBondContact O-N 3.37Å; I364-Q366 VanDerWaalsContact C-N 3.32Å; I364-Q366 PolarHBondContact O-N 3.39Å; Q366-K389 WeakPolarHBondContact O-CE 3.05Å; Q366-K389 PolarHBondContact O-NZ 3.16Å
367	V	98.4	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.			trans	-67.1	142.2	-177.7	-67.5	0	0	0	0	112.3	Q313 V315 Y338 V363 V370 K389 C392	Q313-V367 HydrophobicContact CB-CG1 4.38Å; Q313-V367 CarbonylContact O-C 3.59Å; V315-V367 HydrophobicContact CB-CG1 4.09Å; V315-V367 HydrophobicContact CG1-CB 4.22Å; V315-V367 HydrophobicContact CG1-CG1 4.04Å; V315-V367 HydrophobicContact CG1-CG2 3.91Å; Y338-V367 HydrophobicContact CD2-CG1 4.17Å; Y338-V367 HydrophobicContact CE2-CG1 4.43Å; V363-V367 HydrophobicContact CB-CG1 3.94Å; V363-V367 HydrophobicContact CG2-CG1 4Å; V363-V367 WeakPolarHBondContact O-CG1 3.26Å; V363-V367 PolarHBondContact O-N 3.11Å; V367-V370 HydrophobicContact CG2-CG2 3.8Å; V367-K389 WeakPolarHBondContact O-CE 3.39Å; V367-C392 PolarHBondContact O-SG 2.85Å; V367-C392 VanDerWaalsContact O-SG 3.41Å
368	D	98.6	Very high	96.5	Very high	35 Å²	35	52.3 Å²	52.3	19%	0.187	27%	0.265	C	S	.	.	S	Bend	trans	-82.3	-33.7	174.5	-61.2	-74.8	0	0	0	112.3	K312 Q313 K389 I393	K312-D368 WeakPolarHBondContact CA-OD2 3.26Å; K312-D368 HydrophobicContact CB-CB 4.16Å; K312-D368 HydrophobicContact CD-CB 3.67Å; K312-D368 HydrophobicContact CG-CB 4.42Å; Q313-D368 PolarHBondContact N-OD2 3.08Å; Q313-D368 PolarHBondContact O-N 3.21Å; D368-K389 VanDerWaalsContact OD1-CE 3.25Å; D368-K389 WeakPolarHBondContact OD1-CE 3.46Å; D368-K389 IonicContact OD1-NZ 3.56Å; D368-K389 PolarHBondContact OD1-NZ 2.89Å; D368-K389 IonicContact OD2-NZ 3.7Å; D368-I393 PolarHBondContact O-N 2.94Å
369	V	98.8	Very high	96.5	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.1	-175.4	-169.8	0	0	0	0	110.1	L301 Q313 V314 V315 I371 I393	L301-V369 HydrophobicContact CD2-CG1 4.34Å; Q313-V369 PolarHBondContact O-N 3.31Å; V314-V369 CarbonylContact C-O 3.54Å; V314-V369 WeakPolarHBondContact CA-O 3.36Å; V314-V369 HydrophobicContact CB-CB 4.38Å; V314-V369 HydrophobicContact CG1-CB 3.97Å; V314-V369 HydrophobicContact CG1-CG1 4.27Å; V314-V369 HydrophobicContact CG2-CB 4.06Å; V314-V369 HydrophobicContact CG2-CG2 4.24Å; V315-V369 PolarHBondContact N-O 3.46Å; V369-I371 HydrophobicContact CG1-CD1 4.23Å; V369-I371 HydrophobicContact CG1-CG1 3.85Å; V369-I393 CarbonylContact C-O 3.59Å; V369-I393 VanDerWaalsContact CA-O 3.31Å; V369-I393 WeakPolarHBondContact CA-O 3.39Å; V369-I393 HydrophobicContact CG1-CB 4.24Å; V369-I393 HydrophobicContact CG1-CG2 4.3Å; V369-I393 HydrophobicContact CG2-CB 4.3Å; V369-I393 HydrophobicContact CG2-CD1 4.31Å
370	V	98.8	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.2	171.3	-178.1	0	0	0	0	109.1	V315 I364 V367 V380 M388 I393 V394 C395	V315-V370 HydrophobicContact CG1-CB 4.11Å; V315-V370 HydrophobicContact CG1-CG1 4.06Å; V315-V370 HydrophobicContact CG1-CG2 3.66Å; I364-V370 HydrophobicContact CD1-CG2 4.05Å; V367-V370 HydrophobicContact CG2-CG2 3.8Å; V370-V380 HydrophobicContact CG1-CG2 3.78Å; V370-M388 HydrophobicContact CB-CE 4.31Å; V370-M388 HydrophobicContact CG2-CE 3.83Å; V370-I393 PolarHBondContact N-O 2.92Å; V370-V394 HydrophobicContact CB-CG1 4.44Å; V370-V394 HydrophobicContact CB-CG2 4.45Å; V370-V394 WeakPolarHBondContact O-CA 3.3Å; V370-C395 PolarHBondContact O-N 2.96Å
371	I	98.7	Very high	96.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.3	-179.9	-49.6	172.3	0	0	0	108.1	I297 L301 V314 V315 V316 C317 L330 V369 C395 M397	I297-I371 HydrophobicContact CD1-CD1 3.92Å; I297-I371 HydrophobicContact CD1-CG2 4.21Å; I297-I371 HydrophobicContact CG1-CD1 4.11Å; L301-I371 HydrophobicContact CD1-CD1 4.36Å; V314-I371 HydrophobicContact CG1-CD1 3.69Å; V314-I371 HydrophobicContact CG1-CG1 4.15Å; V315-I371 PolarHBondContact O-N 2.79Å; V316-I371 CarbonylContact C-O 3.38Å; V316-I371 WeakPolarHBondContact CA-O 3.32Å; V316-I371 HydrophobicContact CG2-CB 4.33Å; V316-I371 HydrophobicContact CG2-CD1 4.21Å; C317-I371 PolarHBondContact N-O 3.28Å; L330-I371 HydrophobicContact CD1-CD1 3.45Å; L330-I371 VanDerWaalsContact CD1-CD1 3.45Å; V369-I371 HydrophobicContact CG1-CD1 4.23Å; V369-I371 HydrophobicContact CG1-CG1 3.85Å; I371-C395 WeakPolarHBondContact CA-O 3.47Å; I371-M397 HydrophobicContact CG2-CB 4.39Å; I371-M397 HydrophobicContact CG2-CG 3.83Å
372	T	98.6	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.8	176.2	48.4	0	0	0	0	110.7	C317 V379 V380 C395 N396 M397 G398 E403 I404	C317-T372 HydrophobicContact CB-CG2 4.39Å; T372-V379 HydrophobicContact CG2-CB 4.14Å; T372-V379 HydrophobicContact CG2-CG1 3.99Å; T372-V380 HydrophobicContact CG2-CG2 3.51Å; T372-C395 PolarHBondContact N-O 2.97Å; T372-C395 PolarHBondContact OG1-O 3.02Å; T372-N396 PolarHBondContact O-OD1 2.88Å; T372-N396 VanDerWaalsContact OG1-CA 3.29Å; T372-N396 WeakPolarHBondContact OG1-CA 3.35Å; T372-N396 WeakPolarHBondContact OG1-CB 3.45Å; T372-N396 PolarHBondContact OG1-OD1 3.48Å; T372-M397 PolarHBondContact O-N 2.98Å; T372-G398 PolarHBondContact O-N 3.31Å; T372-E403 WeakPolarHBondContact CB-OE2 3.31Å; T372-E403 HydrophobicContact CG2-CB 4.22Å; T372-I404 HydrophobicContact CG2-CG1 4.22Å
373	C	96.4	Very high	96.5	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.081	23%	0.234	C	C	.	.			trans	-142.5	30	-173	-57.7	0	0	0	0	111.7	V316 C317 V322	V316-C373 HydrophobicContact CG1-CB 4.39Å; C317-C373 CarbonylContact O-C 3.6Å; C317-C373 WeakPolarHBondContact O-CA 3.26Å; C317-C373 WeakPolarHBondContact O-CB 3.35Å; C317-C373 PolarHBondContact O-N 3.25Å; V322-C373 HydrophobicContact CB-CB 4.36Å; V322-C373 HydrophobicContact CG1-CB 3.9Å
374	T	94	Very high	96.5	Very high	54 Å²	54	46.2 Å²	46.2	33%	0.331	24%	0.237	S	C	.	.	S	Bend	trans	-98.4	-23.7	-165.5	70.4	0	0	0	0	114.3	C317 N376 V379 E403	C317-T374 HydrophobicContact CB-CG2 4.08Å; C317-T374 WeakPolarHBondContact O-CG2 3.35Å; T374-N376 PolarHBondContact O-N 2.93Å; T374-N376 WeakPolarHBondContact OG1-CB 3.31Å; T374-N376 PolarHBondContact OG1-N 2.91Å; T374-V379 HydrophobicContact CG2-CG1 4.1Å; T374-V379 HydrophobicContact CG2-CG2 3.85Å; T374-V379 WeakPolarHBondContact OG1-CG2 3.47Å; T374-E403 WeakPolarHBondContact CB-OE2 3.49Å; T374-E403 PolarHBondContact N-OE1 3.33Å; T374-E403 PolarHBondContact N-OE2 3.39Å; T374-E403 VanDerWaalsContact OG1-CD 3.32Å; T374-E403 PolarHBondContact OG1-OE2 3.26Å
375	G	86.8	Confident	96.5	Very high	59 Å²	59	46.2 Å²	46.2	61%	0.608	24%	0.237	S	C	*	.	S	Bend	trans	67.4	12	-165.1	0	0	0	0	0	114.1	E403	G375-E403 VanDerWaalsContact CA-OE1 3.3Å; G375-E403 WeakPolarHBondContact CA-OE1 3.43Å; G375-E403 PolarHBondContact N-OE1 2.98Å
376	N	89.8	Confident	96.5	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	22%	0.224	S	C	.	.			trans	-114.1	164.6	-176.4	-161.3	5.8	0	0	0	111.7	T374 V379 E403	T374-N376 PolarHBondContact O-N 2.93Å; T374-N376 WeakPolarHBondContact OG1-CB 3.31Å; T374-N376 PolarHBondContact OG1-N 2.91Å; N376-V379 HydrophobicContact CB-CG2 4.46Å; N376-E403 WeakPolarHBondContact O-CA 3.32Å; N376-E403 VanDerWaalsContact O-CG 3.23Å; N376-E403 WeakPolarHBondContact O-CG 3.39Å
377	K	90.4	Very high	96.5	Very high	139 Å²	139	40.4 Å²	40.4	60%	0.604	22%	0.217	S	C	*	.	S	Bend	trans	-93.1	152.5	-178.8	66.2	-179.1	-177.6	177.7	0	112.7	V379 T402	K377-V379 VanDerWaalsContact C-N 3.29Å; K377-V379 PolarHBondContact O-N 3.43Å; K377-T402 CarbonylContact C-O 3.59Å; K377-T402 WeakPolarHBondContact CA-O 3.29Å
378	N	94.2	Very high	96.5	Very high	90 Å²	90	40.7 Å²	40.7	48%	0.481	22%	0.218	S	C	.	.			trans	56.3	38.9	171.6	-59.4	-11.8	0	0	0	113.8	T381 T402	N378-T381 HydrophobicContact CB-CG2 4.38Å; N378-T381 WeakPolarHBondContact O-CG2 3.33Å; N378-T402 PolarHBondContact N-O 3.48Å
379	V	97.4	Very high	96.4	Very high	28 Å²	28	42.1 Å²	42.1	17%	0.17	22%	0.223	C	C	.	.	S	Bend	trans	-68.6	-44.8	173.7	-177.7	0	0	0	0	109.9	C317 T372 T374 N376 K377 H384 E403	C317-V379 HydrophobicContact CB-CG1 3.58Å; T372-V379 HydrophobicContact CG2-CB 4.14Å; T372-V379 HydrophobicContact CG2-CG1 3.99Å; T374-V379 HydrophobicContact CG2-CG1 4.1Å; T374-V379 HydrophobicContact CG2-CG2 3.85Å; T374-V379 WeakPolarHBondContact OG1-CG2 3.47Å; N376-V379 HydrophobicContact CB-CG2 4.46Å; K377-V379 VanDerWaalsContact C-N 3.29Å; K377-V379 PolarHBondContact O-N 3.43Å; V379-H384 PolarHBondContact O-ND1 3.39Å; V379-E403 WeakPolarHBondContact CA-O 3.19Å; V379-E403 WeakPolarHBondContact CB-O 3.28Å; V379-E403 HydrophobicContact CG2-CB 4.25Å; V379-E403 PolarHBondContact N-O 2.98Å
380	V	98.4	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-110.9	104.8	174.2	-179.3	0	0	0	0	108.2	L360 V370 T372 H384 L385 M388 E403 I404 D405	L360-V380 HydrophobicContact CD2-CG2 4.14Å; V370-V380 HydrophobicContact CG1-CG2 3.78Å; T372-V380 HydrophobicContact CG2-CG2 3.51Å; V380-H384 HydrophobicContact CG1-CB 4.15Å; V380-L385 HydrophobicContact CG1-CD1 4.49Å; V380-L385 HydrophobicContact CG1-CD2 3.95Å; V380-L385 HydrophobicContact CG1-CG 3.94Å; V380-M388 HydrophobicContact CG1-CE 3.84Å; V380-E403 PolarHBondContact N-O 2.9Å; V380-I404 HydrophobicContact CB-CG1 4.28Å; V380-I404 HydrophobicContact CB-CG2 4.47Å; V380-D405 PolarHBondContact O-N 2.77Å
381	T	98.4	Very high	96.3	Very high	38 Å²	38	49.2 Å²	49.2	23%	0.233	27%	0.265	C	S	.	.			trans	-92	170.7	-177.9	63.1	0	0	0	0	111.8	N378 E383 H384 L385	N378-T381 HydrophobicContact CB-CG2 4.38Å; N378-T381 WeakPolarHBondContact O-CG2 3.33Å; T381-E383 PolarHBondContact O-N 2.85Å; T381-H384 PolarHBondContact N-ND1 3.07Å; T381-H384 WeakPolarHBondContact O-CB 3.09Å; T381-H384 PolarHBondContact O-N 3.22Å; T381-H384 VanDerWaalsContact O-N 3.07Å; T381-H384 PolarHBondContact OG1-ND1 3.2Å; T381-L385 WeakPolarHBondContact O-CG 3.28Å; T381-L385 PolarHBondContact O-N 3.5Å; T381-L385 VanDerWaalsContact O-N 3.11Å
382	R	97.6	Very high	96.3	Very high	40 Å²	40	49.2 Å²	49.2	15%	0.151	27%	0.265	C	S	.	.	H	α-helix	trans	-50	-43.3	170.8	-173.5	58	-170.4	-113	-4.6	113.1	H384 L385 D386 S408 T411 E413	R382-H384 VanDerWaalsContact C-N 3.31Å; R382-H384 PolarHBondContact O-N 3.25Å; R382-L385 PolarHBondContact O-N 2.88Å; R382-L385 VanDerWaalsContact O-N 3.14Å; R382-D386 IonicContact CZ-OD1 2.98Å; R382-D386 IonicContact NE-OD1 2.78Å; R382-D386 PolarHBondContact NE-OD1 2.93Å; R382-D386 IonicContact NE-OD2 3.37Å; R382-D386 IonicContact NH2-OD1 3.13Å; R382-D386 WeakPolarHBondContact O-CB 2.9Å; R382-D386 VanDerWaalsContact O-CG 3.25Å; R382-D386 PolarHBondContact O-N 2.84Å; R382-S408 WeakPolarHBondContact CB-OG 3.45Å; R382-S408 PolarHBondContact NH1-O 3.37Å; R382-T411 PolarHBondContact NH1-OG1 2.69Å; R382-E413 IonicContact NH2-OE1 2.96Å
383	E	98.3	Very high	96.3	Very high	108 Å²	108	49.8 Å²	49.8	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-40.4	179.6	-166	-156.9	140.6	0	0	112	T381 R387	T381-E383 PolarHBondContact O-N 2.85Å; E383-R387 WeakPolarHBondContact O-CD 3.44Å; E383-R387 VanDerWaalsContact O-CG 3.27Å; E383-R387 WeakPolarHBondContact O-CG 3.39Å; E383-R387 PolarHBondContact O-N 3.21Å; E383-R387 IonicContact OE1-NH1 3.16Å; E383-R387 PolarHBondContact OE1-NH1 3.24Å
384	H	98.6	Very high	96.4	Very high	21 Å²	21	49.2 Å²	49.2	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-47	175.5	-61	147.4	0	0	0	110.7	N361 I364 V379 V380 T381 R382 D386 R387 M388	N361-H384 PolarHBondContact OD1-CD2 2.7Å; N361-H384 PolarHBondContact OD1-NE2 2.99Å; I364-H384 HydrophobicContact CD1-CB 4.25Å; I364-H384 HydrophobicContact CG1-CB 4.08Å; I364-H384 WeakPolarHBondContact CG1-O 3.24Å; V379-H384 PolarHBondContact O-ND1 3.39Å; V380-H384 HydrophobicContact CG1-CB 4.15Å; T381-H384 PolarHBondContact N-ND1 3.07Å; T381-H384 WeakPolarHBondContact O-CB 3.09Å; T381-H384 PolarHBondContact O-N 3.22Å; T381-H384 VanDerWaalsContact O-N 3.07Å; T381-H384 PolarHBondContact OG1-ND1 3.2Å; R382-H384 VanDerWaalsContact C-N 3.31Å; R382-H384 PolarHBondContact O-N 3.25Å; H384-D386 VanDerWaalsContact C-N 3.34Å; H384-D386 PolarHBondContact O-N 3.28Å; H384-R387 PolarHBondContact O-N 3.45Å; H384-R387 VanDerWaalsContact O-N 3.1Å; H384-M388 WeakPolarHBondContact O-CG 3.34Å; H384-M388 PolarHBondContact O-N 3.12Å; H384-M388 VanDerWaalsContact O-N 3.17Å
385	L	98.3	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-38.9	-179.9	-64.8	159.7	0	0	0	112	V380 T381 R382 R387 M388 V394 L409 W428 K432 V434	V380-L385 HydrophobicContact CG1-CD1 4.49Å; V380-L385 HydrophobicContact CG1-CD2 3.95Å; V380-L385 HydrophobicContact CG1-CG 3.94Å; T381-L385 WeakPolarHBondContact O-CG 3.28Å; T381-L385 PolarHBondContact O-N 3.5Å; T381-L385 VanDerWaalsContact O-N 3.11Å; R382-L385 PolarHBondContact O-N 2.88Å; R382-L385 VanDerWaalsContact O-N 3.14Å; L385-R387 PolarHBondContact O-N 2.86Å; L385-M388 HydrophobicContact CD2-CE 3.68Å; L385-M388 HydrophobicContact CD2-SD 3.9Å; L385-M388 HydrophobicContact CG-CE 4.38Å; L385-M388 PolarHBondContact O-N 2.8Å; L385-V394 HydrophobicContact CD2-CG2 4.3Å; L385-L409 HydrophobicContact CB-CD2 4.46Å; L385-L409 HydrophobicContact CD1-CD1 4.04Å; L385-L409 HydrophobicContact CD1-CD2 3.97Å; L385-L409 HydrophobicContact CD1-CG 4.08Å; L385-W428 HydrophobicContact CB-CH2 4.25Å; L385-W428 HydrophobicContact CB-CZ2 4.19Å; L385-K432 PolarHBondContact O-NZ 3.45Å; L385-V434 HydrophobicContact CD2-CG1 4.47Å
386	D	97.9	Very high	97	Very high	69 Å²	69	43.9 Å²	43.9	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-32.8	175.2	-71.7	-24.2	0	0	0	111.8	R382 H384 W428 K432	R382-D386 IonicContact CZ-OD1 2.98Å; R382-D386 IonicContact NE-OD1 2.78Å; R382-D386 PolarHBondContact NE-OD1 2.93Å; R382-D386 IonicContact NE-OD2 3.37Å; R382-D386 IonicContact NH2-OD1 3.13Å; R382-D386 WeakPolarHBondContact O-CB 2.9Å; R382-D386 VanDerWaalsContact O-CG 3.25Å; R382-D386 PolarHBondContact O-N 2.84Å; H384-D386 VanDerWaalsContact C-N 3.34Å; H384-D386 PolarHBondContact O-N 3.28Å; D386-W428 PolarHBondContact OD1-NE1 3.44Å; D386-K432 VanDerWaalsContact CA-NZ 3.25Å; D386-K432 PolarHBondContact O-NZ 2.76Å
387	R	98.1	Very high	97.2	Very high	63 Å²	63	39.9 Å²	39.9	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-92.2	-6.5	-177	-67.4	168.6	58.7	-174.8	-6.7	114.7	N361 I364 R365 E383 H384 L385	N361-R387 PolarHBondContact O-NH2 3.21Å; N361-R387 VanDerWaalsContact O-NH2 3.09Å; N361-R387 PolarHBondContact OD1-NH1 3.42Å; N361-R387 VanDerWaalsContact OD1-NH1 3.08Å; I364-R387 HydrophobicContact CG2-CB 4.05Å; R365-R387 HydrophobicContact CG-CB 4.38Å; R365-R387 WeakPolarHBondContact CG-O 3.49Å; E383-R387 WeakPolarHBondContact O-CD 3.44Å; E383-R387 VanDerWaalsContact O-CG 3.27Å; E383-R387 WeakPolarHBondContact O-CG 3.39Å; E383-R387 PolarHBondContact O-N 3.21Å; E383-R387 IonicContact OE1-NH1 3.16Å; E383-R387 PolarHBondContact OE1-NH1 3.24Å; H384-R387 PolarHBondContact O-N 3.45Å; H384-R387 VanDerWaalsContact O-N 3.1Å; L385-R387 PolarHBondContact O-N 2.86Å
388	M	98.3	Very high	97.1	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.034	17%	0.173	C	C	.	.	S	Bend	trans	-63.4	153.6	178	-73.5	177.9	-175.7	0	0	111.7	I364 V370 V380 H384 L385 C392 V394 K432 V434	I364-M388 HydrophobicContact CD1-CE 3.58Å; I364-M388 HydrophobicContact CD1-CG 3.77Å; I364-M388 HydrophobicContact CG1-CG 3.9Å; V370-M388 HydrophobicContact CB-CE 4.31Å; V370-M388 HydrophobicContact CG2-CE 3.83Å; V380-M388 HydrophobicContact CG1-CE 3.84Å; H384-M388 WeakPolarHBondContact O-CG 3.34Å; H384-M388 PolarHBondContact O-N 3.12Å; H384-M388 VanDerWaalsContact O-N 3.17Å; L385-M388 HydrophobicContact CD2-CE 3.68Å; L385-M388 HydrophobicContact CD2-SD 3.9Å; L385-M388 HydrophobicContact CG-CE 4.38Å; L385-M388 PolarHBondContact O-N 2.8Å; M388-C392 HydrophobicContact CB-CB 3.97Å; M388-C392 HydrophobicContact CG-CB 4.34Å; M388-C392 HydrophobicContact SD-CB 4.1Å; M388-V394 HydrophobicContact CE-CG1 4.5Å; M388-V394 HydrophobicContact CE-CG2 3.59Å; M388-V394 HydrophobicContact SD-CG2 3.48Å; M388-V394 WeakPolarHBondContact SD-CG2 3.38Å; M388-K432 VanDerWaalsContact O-CD 3.23Å; M388-K432 WeakPolarHBondContact O-CD 3.16Å; M388-V434 HydrophobicContact CB-CG2 4.41Å; M388-V434 HydrophobicContact SD-CG1 4.45Å; M388-V434 HydrophobicContact SD-CG2 4.18Å
389	K	96.7	Very high	96.2	Very high	65 Å²	65	33 Å²	33	28%	0.283	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-72.7	162.4	169.6	71.7	-176.9	-170.3	-170.7	0	111.4	Q366 V367 D368 S391 C392	Q366-K389 WeakPolarHBondContact O-CE 3.05Å; Q366-K389 PolarHBondContact O-NZ 3.16Å; V367-K389 WeakPolarHBondContact O-CE 3.39Å; D368-K389 VanDerWaalsContact OD1-CE 3.25Å; D368-K389 WeakPolarHBondContact OD1-CE 3.46Å; D368-K389 IonicContact OD1-NZ 3.56Å; D368-K389 PolarHBondContact OD1-NZ 2.89Å; D368-K389 IonicContact OD2-NZ 3.7Å; K389-S391 PolarHBondContact O-N 3.05Å; K389-C392 HydrophobicContact CG-CB 4.44Å; K389-C392 WeakPolarHBondContact O-CB 3.4Å; K389-C392 PolarHBondContact O-N 2.87Å
390	N	98.1	Very high	95.2	Very high	92 Å²	92	33.4 Å²	33.4	49%	0.492	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.8	174.7	-171.6	46.3	0	0	0	111.9	C392 R433	N390-C392 VanDerWaalsContact C-N 3.26Å; N390-C392 PolarHBondContact O-N 2.82Å; N390-R433 WeakPolarHBondContact OD1-CB 3.42Å; N390-R433 PolarHBondContact OD1-N 3.49Å
391	S	96.9	Very high	94.5	Very high	60 Å²	60	37.1 Å²	37.1	42%	0.42	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	23.4	-177.9	-54.6	0	0	0	0	115.4	K389 I393 R433	K389-S391 PolarHBondContact O-N 3.05Å; S391-I393 PolarHBondContact O-N 3.23Å; S391-R433 WeakPolarHBondContact CA-O 3.44Å; S391-R433 PolarHBondContact N-O 3.26Å
392	C	98.6	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.2	171	-167.4	0	0	0	0	110.2	V367 M388 K389 N390 V435	V367-C392 PolarHBondContact O-SG 2.85Å; V367-C392 VanDerWaalsContact O-SG 3.41Å; M388-C392 HydrophobicContact CB-CB 3.97Å; M388-C392 HydrophobicContact CG-CB 4.34Å; M388-C392 HydrophobicContact SD-CB 4.1Å; K389-C392 HydrophobicContact CG-CB 4.44Å; K389-C392 WeakPolarHBondContact O-CB 3.4Å; K389-C392 PolarHBondContact O-N 2.87Å; N390-C392 VanDerWaalsContact C-N 3.26Å; N390-C392 PolarHBondContact O-N 2.82Å; C392-V435 PolarHBondContact O-N 3.3Å
393	I	98.8	Very high	94	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.5	177.2	-60.8	162.9	0	0	0	108.9	L301 T305 V307 D368 V369 V370 S391 V435 L437	L301-I393 HydrophobicContact CD2-CG2 4.08Å; T305-I393 HydrophobicContact CG2-CD1 3.91Å; T305-I393 HydrophobicContact CG2-CG1 4.24Å; T305-I393 HydrophobicContact CG2-CG2 4.16Å; V307-I393 HydrophobicContact CB-CD1 4.05Å; V307-I393 HydrophobicContact CG1-CD1 4.24Å; V307-I393 HydrophobicContact CG2-CD1 4.04Å; D368-I393 PolarHBondContact O-N 2.94Å; V369-I393 CarbonylContact C-O 3.59Å; V369-I393 VanDerWaalsContact CA-O 3.31Å; V369-I393 WeakPolarHBondContact CA-O 3.39Å; V369-I393 HydrophobicContact CG1-CB 4.24Å; V369-I393 HydrophobicContact CG1-CG2 4.3Å; V369-I393 HydrophobicContact CG2-CB 4.3Å; V369-I393 HydrophobicContact CG2-CD1 4.31Å; V370-I393 PolarHBondContact N-O 2.92Å; S391-I393 PolarHBondContact O-N 3.23Å; I393-V435 CarbonylContact C-O 3.56Å; I393-V435 WeakPolarHBondContact CA-O 3.2Å; I393-V435 HydrophobicContact CG1-CB 4.09Å; I393-V435 HydrophobicContact CG1-CG1 4.44Å; I393-V435 HydrophobicContact CG1-CG2 4.47Å; I393-L437 HydrophobicContact CG2-CD1 3.87Å; I393-L437 HydrophobicContact CG2-CG 4.08Å
394	V	98.6	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.8	-178.9	-171.3	0	0	0	0	109.7	V370 L385 M388 I404 V434 V435 L436 L437	V370-V394 HydrophobicContact CB-CG1 4.44Å; V370-V394 HydrophobicContact CB-CG2 4.45Å; V370-V394 WeakPolarHBondContact O-CA 3.3Å; L385-V394 HydrophobicContact CD2-CG2 4.3Å; M388-V394 HydrophobicContact CE-CG1 4.5Å; M388-V394 HydrophobicContact CE-CG2 3.59Å; M388-V394 HydrophobicContact SD-CG2 3.48Å; M388-V394 WeakPolarHBondContact SD-CG2 3.38Å; V394-I404 HydrophobicContact CG1-CD1 3.79Å; V394-I404 HydrophobicContact CG1-CG1 4.27Å; V394-I404 HydrophobicContact CG1-CG2 4.43Å; V394-V434 HydrophobicContact CB-CG1 4.34Å; V394-V434 HydrophobicContact CG2-CG1 3.61Å; V394-V435 PolarHBondContact N-O 2.9Å; V394-L436 HydrophobicContact CB-CD1 4.37Å; V394-L437 PolarHBondContact O-N 3.42Å
395	C	97.9	Very high	93.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	167.2	177.5	68.1	0	0	0	0	113.2	V370 I371 T372 L437 L443	V370-C395 PolarHBondContact O-N 2.96Å; I371-C395 WeakPolarHBondContact CA-O 3.47Å; T372-C395 PolarHBondContact N-O 2.97Å; T372-C395 PolarHBondContact OG1-O 3.02Å; C395-L437 HydrophobicContact CB-CB 3.88Å; C395-L437 HydrophobicContact CB-CD1 3.88Å; C395-L437 HydrophobicContact CB-CG 4.1Å; C395-L443 HydrophobicContact CB-CD1 4.14Å; C395-L443 HydrophobicContact CB-CD2 4.24Å
396	N	96.4	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.9	-177.4	175.5	31.5	0	0	0	110.1	T372 G398 S400 I404 G440 L443	T372-N396 PolarHBondContact O-OD1 2.88Å; T372-N396 VanDerWaalsContact OG1-CA 3.29Å; T372-N396 WeakPolarHBondContact OG1-CA 3.35Å; T372-N396 WeakPolarHBondContact OG1-CB 3.45Å; T372-N396 PolarHBondContact OG1-OD1 3.48Å; N396-G398 PolarHBondContact ND2-O 3.39Å; N396-G398 VanDerWaalsContact ND2-O 3.16Å; N396-G398 WeakPolarHBondContact OD1-CA 2.9Å; N396-G398 PolarHBondContact OD1-N 3.35Å; N396-G398 PolarHBondContact OD1-O 3.11Å; N396-S400 PolarHBondContact ND2-O 3.03Å; N396-I404 HydrophobicContact CB-CD1 3.89Å; N396-G440 VanDerWaalsContact CB-O 3.32Å; N396-G440 WeakPolarHBondContact CB-O 3.46Å; N396-G440 PolarHBondContact ND2-O 2.65Å; N396-L443 WeakPolarHBondContact O-CB 3.39Å; N396-L443 PolarHBondContact O-N 3.38Å
397	M	94.2	Very high	93.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.02	20%	0.196	C	C	.	.			trans	-107.5	-5.1	173.2	-74.1	-69.8	-66.1	0	0	111.9	C293 I297 V322 I371 T372 L442 L443 N444	C293-M397 HydrophobicContact CB-CE 3.74Å; I297-M397 HydrophobicContact CB-CE 4.32Å; I297-M397 HydrophobicContact CB-SD 4.43Å; I297-M397 HydrophobicContact CD1-CG 3.87Å; I297-M397 HydrophobicContact CD1-SD 3.91Å; V322-M397 HydrophobicContact CG1-CB 3.82Å; I371-M397 HydrophobicContact CG2-CB 4.39Å; I371-M397 HydrophobicContact CG2-CG 3.83Å; T372-M397 PolarHBondContact O-N 2.98Å; M397-L442 WeakPolarHBondContact O-CD1 3.41Å; M397-L443 HydrophobicContact SD-CB 3.93Å; M397-L443 HydrophobicContact SD-CD2 4.14Å; M397-N444 HydrophobicContact CE-CB 4.09Å; M397-N444 HydrophobicContact SD-CB 4.22Å
398	G	86.4	Confident	93.6	Very high	8 Å²	8	33.8 Å²	33.8	8%	0.082	19%	0.194	C	C	.	.	S	Bend	trans	-82.8	159.4	172.5	0	0	0	0	0	113.5	T372 N396 S400 E403 L442	T372-G398 PolarHBondContact O-N 3.31Å; N396-G398 PolarHBondContact ND2-O 3.39Å; N396-G398 VanDerWaalsContact ND2-O 3.16Å; N396-G398 WeakPolarHBondContact OD1-CA 2.9Å; N396-G398 PolarHBondContact OD1-N 3.35Å; N396-G398 PolarHBondContact OD1-O 3.11Å; G398-S400 PolarHBondContact O-N 3.13Å; G398-E403 WeakPolarHBondContact CA-OE1 3.41Å; G398-L442 VanDerWaalsContact O-CD1 3.28Å; G398-L442 WeakPolarHBondContact O-CD1 3.42Å
399	H	77.1	Confident	93.5	Very high	76 Å²	76	33.5 Å²	33.5	35%	0.352	19%	0.192	S	C	.	.	S	Bend	trans	-63.8	-42.4	-168	-177.2	86.5	0	0	0	114.1	D229 T257	D229-H399 IonicContact OD1-CE1 2.75Å; T257-H399 PolarHBondContact OG1-CD2 3.11Å
400	S	76.2	Confident	93.5	Very high	38 Å²	38	36.6 Å²	36.6	27%	0.266	20%	0.202	S	C	.	.	S	Bend	trans	-88.9	146.7	-178.4	-179.5	0	0	0	0	111.5	N396 G398 T402	N396-S400 PolarHBondContact ND2-O 3.03Å; G398-S400 PolarHBondContact O-N 3.13Å; S400-T402 PolarHBondContact O-N 2.86Å; S400-T402 VanDerWaalsContact O-N 3.15Å; S400-T402 WeakPolarHBondContact OG-CG2 3.24Å; S400-T402 PolarHBondContact OG-N 3.09Å; S400-T402 PolarHBondContact OG-OG1 2.95Å
401	N	83.3	Confident	93.4	Very high	78 Å²	78	34 Å²	34	42%	0.417	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	12.7	171.8	67.4	-24.1	0	0	0	114.4	G440 R441	N401-G440 WeakPolarHBondContact CA-O 3.46Å; N401-R441 HydrophobicContact CB-CG 3.96Å
402	T	89	Confident	93.3	Very high	61 Å²	61	37.6 Å²	37.6	37%	0.374	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.7	-174.2	58.6	0	0	0	0	114.1	K377 N378 S400 I404	K377-T402 CarbonylContact C-O 3.59Å; K377-T402 WeakPolarHBondContact CA-O 3.29Å; N378-T402 PolarHBondContact N-O 3.48Å; S400-T402 PolarHBondContact O-N 2.86Å; S400-T402 VanDerWaalsContact O-N 3.15Å; S400-T402 WeakPolarHBondContact OG-CG2 3.24Å; S400-T402 PolarHBondContact OG-N 3.09Å; S400-T402 PolarHBondContact OG-OG1 2.95Å; T402-I404 PolarHBondContact O-N 3.02Å
403	E	95.4	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-64.9	-32.3	176	-51	-140.2	-168.4	0	0	111.5	T372 T374 G375 N376 V379 V380 G398	T372-E403 WeakPolarHBondContact CB-OE2 3.31Å; T372-E403 HydrophobicContact CG2-CB 4.22Å; T374-E403 WeakPolarHBondContact CB-OE2 3.49Å; T374-E403 PolarHBondContact N-OE1 3.33Å; T374-E403 PolarHBondContact N-OE2 3.39Å; T374-E403 VanDerWaalsContact OG1-CD 3.32Å; T374-E403 PolarHBondContact OG1-OE2 3.26Å; G375-E403 VanDerWaalsContact CA-OE1 3.3Å; G375-E403 WeakPolarHBondContact CA-OE1 3.43Å; G375-E403 PolarHBondContact N-OE1 2.98Å; N376-E403 WeakPolarHBondContact O-CA 3.32Å; N376-E403 VanDerWaalsContact O-CG 3.23Å; N376-E403 WeakPolarHBondContact O-CG 3.39Å; V379-E403 WeakPolarHBondContact CA-O 3.19Å; V379-E403 WeakPolarHBondContact CB-O 3.28Å; V379-E403 HydrophobicContact CG2-CB 4.25Å; V379-E403 PolarHBondContact N-O 2.98Å; V380-E403 PolarHBondContact N-O 2.9Å; G398-E403 WeakPolarHBondContact CA-OE1 3.41Å
404	I	97.9	Very high	93.2	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-108.3	130.3	177.3	-57	161.9	0	0	0	108.3	T372 V380 V394 N396 T402 V406	T372-I404 HydrophobicContact CG2-CG1 4.22Å; V380-I404 HydrophobicContact CB-CG1 4.28Å; V380-I404 HydrophobicContact CB-CG2 4.47Å; V394-I404 HydrophobicContact CG1-CD1 3.79Å; V394-I404 HydrophobicContact CG1-CG1 4.27Å; V394-I404 HydrophobicContact CG1-CG2 4.43Å; N396-I404 HydrophobicContact CB-CD1 3.89Å; T402-I404 PolarHBondContact O-N 3.02Å; I404-V406 HydrophobicContact CB-CG2 4.12Å; I404-V406 HydrophobicContact CG2-CG2 3.8Å; I404-V406 PolarHBondContact O-N 3.39Å
405	D	96.9	Very high	93.2	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.214	26%	0.257	C	S	.	.			trans	-76.8	68.6	177.2	-174	1.5	0	0	0	111.7	V380 T407 S408	V380-D405 PolarHBondContact O-N 2.77Å; D405-T407 VanDerWaalsContact C-N 3.31Å; D405-S408 VanDerWaalsContact CG-CB 3.41Å; D405-S408 VanDerWaalsContact CG-OG 3.26Å; D405-S408 PolarHBondContact O-OG 2.82Å; D405-S408 VanDerWaalsContact OD1-CB 3.25Å; D405-S408 WeakPolarHBondContact OD1-CB 3.47Å; D405-S408 PolarHBondContact OD1-N 2.88Å; D405-S408 PolarHBondContact OD1-OG 2.91Å; D405-S408 VanDerWaalsContact OD2-CB 3.31Å; D405-S408 WeakPolarHBondContact OD2-CB 3.43Å; D405-S408 PolarHBondContact OD2-OG 3.36Å
406	V	96.4	Very high	93.2	Very high	17 Å²	17	48.9 Å²	48.9	10%	0.103	27%	0.267	C	S	.	.			trans	-69	-31.4	179.6	-179.9	0	0	0	0	111.4	I404 S408 L409 W416 L436	I404-V406 HydrophobicContact CB-CG2 4.12Å; I404-V406 HydrophobicContact CG2-CG2 3.8Å; I404-V406 PolarHBondContact O-N 3.39Å; V406-S408 VanDerWaalsContact C-N 3.29Å; V406-S408 PolarHBondContact O-N 2.83Å; V406-L409 WeakPolarHBondContact O-CB 3.4Å; V406-L409 PolarHBondContact O-N 2.87Å; V406-W416 HydrophobicContact CG1-CH2 3.98Å; V406-W416 HydrophobicContact CG1-CZ2 4.49Å; V406-L436 HydrophobicContact CG1-CD2 4.09Å; V406-L436 HydrophobicContact CG2-CD2 4.17Å
407	T	95.4	Very high	93.2	Very high	119 Å²	119	53.1 Å²	53.1	73%	0.73	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-59.7	-41.5	178.5	-55.5	0	0	0	0	111.3	D405 L409 R410	D405-T407 VanDerWaalsContact C-N 3.31Å; T407-L409 PolarHBondContact O-N 3.34Å; T407-L409 VanDerWaalsContact O-N 3.1Å; T407-R410 PolarHBondContact O-N 3.38Å; T407-R410 VanDerWaalsContact O-N 3.11Å
408	S	96.5	Very high	93.3	Very high	29 Å²	29	61 Å²	61	20%	0.203	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-61.9	-17.2	176.7	74	0	0	0	0	114.4	R382 D405 V406 T411	R382-S408 WeakPolarHBondContact CB-OG 3.45Å; R382-S408 PolarHBondContact NH1-O 3.37Å; D405-S408 VanDerWaalsContact CG-CB 3.41Å; D405-S408 VanDerWaalsContact CG-OG 3.26Å; D405-S408 PolarHBondContact O-OG 2.82Å; D405-S408 VanDerWaalsContact OD1-CB 3.25Å; D405-S408 WeakPolarHBondContact OD1-CB 3.47Å; D405-S408 PolarHBondContact OD1-N 2.88Å; D405-S408 PolarHBondContact OD1-OG 2.91Å; D405-S408 VanDerWaalsContact OD2-CB 3.31Å; D405-S408 WeakPolarHBondContact OD2-CB 3.43Å; D405-S408 PolarHBondContact OD2-OG 3.36Å; V406-S408 VanDerWaalsContact C-N 3.29Å; V406-S408 PolarHBondContact O-N 2.83Å; S408-T411 WeakPolarHBondContact O-CG2 3.29Å
409	L	96.6	Very high	93.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-85.6	-6.8	179.1	-63.5	177.2	0	0	0	113.1	L385 V406 T407 T411 L414 W416 V426 W428 L436	L385-L409 HydrophobicContact CB-CD2 4.46Å; L385-L409 HydrophobicContact CD1-CD1 4.04Å; L385-L409 HydrophobicContact CD1-CD2 3.97Å; L385-L409 HydrophobicContact CD1-CG 4.08Å; V406-L409 WeakPolarHBondContact O-CB 3.4Å; V406-L409 PolarHBondContact O-N 2.87Å; T407-L409 PolarHBondContact O-N 3.34Å; T407-L409 VanDerWaalsContact O-N 3.1Å; L409-T411 VanDerWaalsContact C-N 3.26Å; L409-T411 PolarHBondContact O-N 3Å; L409-T411 VanDerWaalsContact O-N 3.07Å; L409-L414 HydrophobicContact CB-CD1 4.16Å; L409-L414 HydrophobicContact CD2-CD1 3.71Å; L409-L414 WeakPolarHBondContact O-CD1 3.22Å; L409-W416 HydrophobicContact CB-CZ2 3.66Å; L409-W416 HydrophobicContact CD1-CZ2 4.29Å; L409-W416 PolarHBondContact O-NE1 2.94Å; L409-V426 HydrophobicContact CB-CG1 4.48Å; L409-V426 HydrophobicContact CD1-CG1 4.44Å; L409-V426 HydrophobicContact CD1-CG2 4.31Å; L409-V426 HydrophobicContact CD2-CG1 4.33Å; L409-W428 HydrophobicContact CD2-CH2 3.92Å; L409-W428 HydrophobicContact CD2-CZ2 4.04Å; L409-L436 HydrophobicContact CD1-CD2 4.43Å
410	R	95.9	Very high	94.3	Very high	131 Å²	131	65.7 Å²	65.7	49%	0.494	34%	0.336	S	S	.	.			trans	-85.9	66.5	178.6	-59.6	-61.5	-172.1	-179.3	0.9	110.4	T407 W416 E439	T407-R410 PolarHBondContact O-N 3.38Å; T407-R410 VanDerWaalsContact O-N 3.11Å; R410-W416 VanDerWaalsContact NH1-CD2 3.27Å; R410-E439 IonicContact NH2-OE2 3.63Å; R410-E439 PolarHBondContact NH2-OE2 3.42Å
411	T	96.6	Very high	94.9	Very high	37 Å²	37	67 Å²	67	23%	0.227	35%	0.345	C	S	.	.			trans	-121.6	149.4	-177.6	54.2	0	0	0	0	111.5	R382 S408 L409 E413 L414	R382-T411 PolarHBondContact NH1-OG1 2.69Å; S408-T411 WeakPolarHBondContact O-CG2 3.29Å; L409-T411 VanDerWaalsContact C-N 3.26Å; L409-T411 PolarHBondContact O-N 3Å; L409-T411 VanDerWaalsContact O-N 3.07Å; T411-E413 WeakPolarHBondContact CB-OE2 3.43Å; T411-E413 PolarHBondContact O-N 3.27Å; T411-L414 PolarHBondContact O-N 3.23Å; T411-L414 VanDerWaalsContact O-N 3.14Å; T411-L414 WeakPolarHBondContact OG1-CG 3.24Å
412	P	96.2	Very high	95.2	Very high	136 Å²	136	65.6 Å²	65.6	88%	0.883	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.1	179.5	-23.7	34.3	0	0	0	114.5	L414	P412-L414 VanDerWaalsContact C-N 3.33Å
413	E	96.4	Very high	95.6	Very high	105 Å²	105	62.9 Å²	62.9	49%	0.491	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.7	178.8	69.2	-103.8	-154.9	0	0	114.9	R382 T411 P429	R382-E413 IonicContact NH2-OE1 2.96Å; T411-E413 WeakPolarHBondContact CB-OE2 3.43Å; T411-E413 PolarHBondContact O-N 3.27Å; E413-P429 HydrophobicContact CB-CG 4.18Å
414	L	97.9	Very high	95.7	Very high	11 Å²	11	63.6 Å²	63.6	6%	0.058	32%	0.324	C	S	.	.	S	Bend	trans	-102.1	125.4	-178.7	-67.9	-175.3	0	0	0	110.2	L409 T411 P412 V426 I427 W428	L409-L414 HydrophobicContact CB-CD1 4.16Å; L409-L414 HydrophobicContact CD2-CD1 3.71Å; L409-L414 WeakPolarHBondContact O-CD1 3.22Å; T411-L414 PolarHBondContact O-N 3.23Å; T411-L414 VanDerWaalsContact O-N 3.14Å; T411-L414 WeakPolarHBondContact OG1-CG 3.24Å; P412-L414 VanDerWaalsContact C-N 3.33Å; L414-V426 HydrophobicContact CB-CG1 4.25Å; L414-V426 HydrophobicContact CD1-CG1 3.83Å; L414-V426 HydrophobicContact CG-CG1 4.48Å; L414-I427 WeakPolarHBondContact CA-O 3.45Å; L414-W428 HydrophobicContact CD1-CZ2 4.48Å; L414-W428 HydrophobicContact CD2-CB 4.24Å; L414-W428 HydrophobicContact CD2-CD2 3.6Å; L414-W428 HydrophobicContact CD2-CE3 4.13Å; L414-W428 HydrophobicContact CD2-CG 3.66Å; L414-W428 HydrophobicContact CD2-CZ2 4.47Å
415	T	98.1	Very high	95.7	Very high	77 Å²	77	64.9 Å²	64.9	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.2	174.9	-55.7	0	0	0	0	109.4	E417 I427	T415-E417 HydrophobicContact CG2-CG 4.27Å; T415-I427 PolarHBondContact N-O 3.19Å; T415-I427 PolarHBondContact O-N 3.4Å
416	W	97.9	Very high	95.7	Very high	57 Å²	57	63 Å²	63	22%	0.216	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.9	173.5	-78.8	70.9	0	0	0	109.9	V406 L409 R410 D424 H425 V426 L436	V406-W416 HydrophobicContact CG1-CH2 3.98Å; V406-W416 HydrophobicContact CG1-CZ2 4.49Å; L409-W416 HydrophobicContact CB-CZ2 3.66Å; L409-W416 HydrophobicContact CD1-CZ2 4.29Å; L409-W416 PolarHBondContact O-NE1 2.94Å; R410-W416 VanDerWaalsContact NH1-CD2 3.27Å; W416-D424 HydrophobicContact CE3-CB 3.87Å; W416-D424 HydrophobicContact CZ3-CB 3.85Å; W416-H425 WeakPolarHBondContact CA-O 3.37Å; W416-V426 HydrophobicContact CD2-CG2 3.88Å; W416-V426 HydrophobicContact CE3-CG2 3.97Å; W416-V426 HydrophobicContact CH2-CG2 3.89Å; W416-V426 HydrophobicContact CZ2-CG2 3.78Å; W416-V426 HydrophobicContact CZ3-CG2 3.97Å; W416-L436 HydrophobicContact CH2-CD2 3.58Å; W416-L436 HydrophobicContact CZ3-CD2 3.98Å
417	E	97.2	Very high	95.8	Very high	89 Å²	89	63.2 Å²	63.2	42%	0.416	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.2	174.5	-69	178.7	176.8	0	0	109.4	T415 V419 H425 I427 R433	T415-E417 HydrophobicContact CG2-CG 4.27Å; E417-V419 PolarHBondContact O-N 2.89Å; E417-H425 HydrophobicContact CB-CB 4.2Å; E417-H425 PolarHBondContact N-O 3.33Å; E417-H425 PolarHBondContact O-N 2.69Å; E417-I427 HydrophobicContact CG-CD1 3.99Å; E417-I427 WeakPolarHBondContact OE2-CD1 3.24Å; E417-R433 IonicContact OE2-NH2 3.74Å
418	R	95.8	Very high	96	Very high	170 Å²	170	58.6 Å²	58.6	64%	0.642	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	114.4	172.1	-175.2	169.3	175.4	163.9	-5.3	109.3
419	V	93.3	Very high	96.1	Very high	68 Å²	68	62.3 Å²	62.3	41%	0.412	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-43	-173.8	-177.8	0	0	0	0	111.2	E417 V423 H425	E417-V419 PolarHBondContact O-N 2.89Å; V419-V423 HydrophobicContact CB-CG1 4.36Å; V419-V423 PolarHBondContact N-O 3.09Å; V419-H425 HydrophobicContact CG2-CB 4.11Å; V419-H425 WeakPolarHBondContact CG2-CE1 3.43Å; V419-H425 WeakPolarHBondContact CG2-ND1 3.34Å
420	R	91.4	Very high	96.1	Very high	113 Å²	113	68.3 Å²	68.3	43%	0.426	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-177.4	176	59	-179.2	73.3	168.8	4.2	108.8	D306 Q422 V423	D306-R420 IonicContact OD2-CZ 3.92Å; D306-R420 IonicContact OD2-NH1 2.69Å; D306-R420 PolarHBondContact OD2-NH1 3.14Å; D306-R420 IonicContact OD2-NH2 3.78Å; R420-Q422 PolarHBondContact O-N 3.02Å; R420-V423 HydrophobicContact CG-CB 3.64Å; R420-V423 HydrophobicContact CG-CG1 4.47Å; R420-V423 HydrophobicContact CG-CG2 3.57Å; R420-V423 PolarHBondContact N-O 3.21Å; R420-V423 PolarHBondContact O-N 3.11Å
421	S	88.1	Confident	96.1	Very high	65 Å²	65	64.4 Å²	64.4	46%	0.455	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	127.6	176.1	-162.8	0	0	0	0	110.6	V423	S421-V423 PolarHBondContact O-N 3.23Å
422	Q	90.3	Very high	96.2	Very high	50 Å²	50	63.6 Å²	63.6	23%	0.234	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.4	-178.5	-61.3	77.3	31	0	0	115.7	R420 A438 C447	R420-Q422 PolarHBondContact O-N 3.02Å; Q422-A438 HydrophobicContact CB-CB 4.34Å; Q422-A438 PolarHBondContact O-N 2.88Å; Q422-C447 VanDerWaalsContact CB-SG 3.52Å
423	V	96.5	Very high	96.2	Very high	4 Å²	4	61 Å²	61	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	116.7	176.3	-174.4	0	0	0	0	110	T304 V419 R420 S421 V435 L437	T304-V423 HydrophobicContact CG2-CG2 3.88Å; V419-V423 HydrophobicContact CB-CG1 4.36Å; V419-V423 PolarHBondContact N-O 3.09Å; R420-V423 HydrophobicContact CG-CB 3.64Å; R420-V423 HydrophobicContact CG-CG1 4.47Å; R420-V423 HydrophobicContact CG-CG2 3.57Å; R420-V423 PolarHBondContact N-O 3.21Å; R420-V423 PolarHBondContact O-N 3.11Å; S421-V423 PolarHBondContact O-N 3.23Å; V423-V435 HydrophobicContact CG1-CG1 3.85Å; V423-L437 HydrophobicContact CG1-CD2 4.16Å; V423-L437 HydrophobicContact CG2-CD2 4.07Å
424	D	97.6	Very high	96.3	Very high	15 Å²	15	56 Å²	56	8%	0.08	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136	179.6	-62.2	-75.2	0	0	0	110.4	W416 L436	W416-D424 HydrophobicContact CE3-CB 3.87Å; W416-D424 HydrophobicContact CZ3-CB 3.85Å; D424-L436 PolarHBondContact N-O 3.18Å; D424-L436 PolarHBondContact O-N 3.13Å
425	H	98.2	Very high	96.4	Very high	29 Å²	29	56.1 Å²	56.1	13%	0.134	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.1	163.9	-72.8	168.8	0	0	0	108.9	W416 E417 V419 I427 R433 V434	W416-H425 WeakPolarHBondContact CA-O 3.37Å; E417-H425 HydrophobicContact CB-CB 4.2Å; E417-H425 PolarHBondContact N-O 3.33Å; E417-H425 PolarHBondContact O-N 2.69Å; V419-H425 HydrophobicContact CG2-CB 4.11Å; V419-H425 WeakPolarHBondContact CG2-CE1 3.43Å; V419-H425 WeakPolarHBondContact CG2-ND1 3.34Å; H425-I427 HydrophobicContact CB-CD1 4.47Å; H425-I427 HydrophobicContact CB-CG1 4.29Å; H425-R433 HydrophobicContact CB-CG 3.92Å; H425-R433 PolarHBondContact CE1-NH1 3.29Å; H425-R433 VanDerWaalsContact CG-CD 3.4Å; H425-R433 WeakPolarHBondContact ND1-CD 3.37Å; H425-R433 VanDerWaalsContact ND1-CZ 3.3Å; H425-R433 PolarHBondContact ND1-NE 2.85Å; H425-R433 PolarHBondContact ND1-NH1 3.09Å; H425-V434 WeakPolarHBondContact CA-O 3.44Å
426	V	98.4	Very high	96.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.1	169.8	-172.5	0	0	0	0	107.6	L409 L414 W416 W428 R433 V434 L436	L409-V426 HydrophobicContact CB-CG1 4.48Å; L409-V426 HydrophobicContact CD1-CG1 4.44Å; L409-V426 HydrophobicContact CD1-CG2 4.31Å; L409-V426 HydrophobicContact CD2-CG1 4.33Å; L414-V426 HydrophobicContact CB-CG1 4.25Å; L414-V426 HydrophobicContact CD1-CG1 3.83Å; L414-V426 HydrophobicContact CG-CG1 4.48Å; W416-V426 HydrophobicContact CD2-CG2 3.88Å; W416-V426 HydrophobicContact CE3-CG2 3.97Å; W416-V426 HydrophobicContact CH2-CG2 3.89Å; W416-V426 HydrophobicContact CZ2-CG2 3.78Å; W416-V426 HydrophobicContact CZ3-CG2 3.97Å; V426-W428 HydrophobicContact CB-CZ3 4.04Å; V426-W428 HydrophobicContact CG1-CE3 4.46Å; V426-W428 HydrophobicContact CG1-CH2 4.18Å; V426-W428 HydrophobicContact CG1-CZ3 3.84Å; V426-W428 VanDerWaalsContact O-CZ3 3.3Å; V426-W428 WeakPolarHBondContact O-CZ3 3.19Å; V426-R433 CarbonylContact O-C 3.05Å; V426-R433 WeakPolarHBondContact O-CA 3.32Å; V426-V434 PolarHBondContact N-O 3.02Å; V426-V434 PolarHBondContact O-N 3.22Å; V426-L436 HydrophobicContact CG2-CB 4.41Å
427	I	98.6	Very high	96.3	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.4	-168.1	-54.3	173.8	0	0	0	109.6	L414 T415 E417 H425 K432 R433	L414-I427 WeakPolarHBondContact CA-O 3.45Å; T415-I427 PolarHBondContact N-O 3.19Å; T415-I427 PolarHBondContact O-N 3.4Å; E417-I427 HydrophobicContact CG-CD1 3.99Å; E417-I427 WeakPolarHBondContact OE2-CD1 3.24Å; H425-I427 HydrophobicContact CB-CD1 4.47Å; H425-I427 HydrophobicContact CB-CG1 4.29Å; I427-K432 WeakPolarHBondContact CA-O 3.35Å; I427-R433 HydrophobicContact CG1-CB 4.48Å; I427-R433 HydrophobicContact CG1-CG 4.28Å
428	W	98.4	Very high	96.1	Very high	22 Å²	22	45.8 Å²	45.8	8%	0.083	24%	0.238	C	C	.	.			trans	-82.9	159.9	176.7	-83.2	-113.2	0	0	0	111.3	L385 D386 L409 L414 V426 D430 G431 K432 V434	L385-W428 HydrophobicContact CB-CH2 4.25Å; L385-W428 HydrophobicContact CB-CZ2 4.19Å; D386-W428 PolarHBondContact OD1-NE1 3.44Å; L409-W428 HydrophobicContact CD2-CH2 3.92Å; L409-W428 HydrophobicContact CD2-CZ2 4.04Å; L414-W428 HydrophobicContact CD1-CZ2 4.48Å; L414-W428 HydrophobicContact CD2-CB 4.24Å; L414-W428 HydrophobicContact CD2-CD2 3.6Å; L414-W428 HydrophobicContact CD2-CE3 4.13Å; L414-W428 HydrophobicContact CD2-CG 3.66Å; L414-W428 HydrophobicContact CD2-CZ2 4.47Å; V426-W428 HydrophobicContact CB-CZ3 4.04Å; V426-W428 HydrophobicContact CG1-CE3 4.46Å; V426-W428 HydrophobicContact CG1-CH2 4.18Å; V426-W428 HydrophobicContact CG1-CZ3 3.84Å; V426-W428 VanDerWaalsContact O-CZ3 3.3Å; V426-W428 WeakPolarHBondContact O-CZ3 3.19Å; W428-D430 WeakPolarHBondContact CB-OD1 3.37Å; W428-D430 PolarHBondContact O-N 2.76Å; W428-D430 VanDerWaalsContact O-N 3.1Å; W428-G431 PolarHBondContact O-N 3.31Å; W428-K432 HydrophobicContact CB-CB 4.28Å; W428-K432 VanDerWaalsContact CE3-CE 3.47Å; W428-K432 VanDerWaalsContact CG-CE 3.44Å; W428-K432 PolarHBondContact N-O 3.46Å; W428-V434 HydrophobicContact CE3-CG2 4.48Å; W428-V434 HydrophobicContact CH2-CB 4.21Å; W428-V434 HydrophobicContact CH2-CG2 3.72Å; W428-V434 HydrophobicContact CZ3-CB 3.82Å; W428-V434 HydrophobicContact CZ3-CG2 3.51Å
429	P	97.9	Very high	96	Very high	106 Å²	106	40.3 Å²	40.3	69%	0.688	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.1	178.5	-27	35.2	0	0	0	114.9	E413 G431	E413-P429 HydrophobicContact CB-CG 4.18Å; P429-G431 VanDerWaalsContact C-N 3.26Å; P429-G431 PolarHBondContact O-N 3.22Å
430	D	96.7	Very high	95.9	Very high	126 Å²	126	37 Å²	37	67%	0.674	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	0.2	177.1	67.4	-4.6	0	0	0	113.6	W428 K432	W428-D430 WeakPolarHBondContact CB-OD1 3.37Å; W428-D430 PolarHBondContact O-N 2.76Å; W428-D430 VanDerWaalsContact O-N 3.1Å; D430-K432 WeakPolarHBondContact OD1-CB 3.33Å; D430-K432 PolarHBondContact OD1-N 2.88Å
431	G	97.1	Very high	95.8	Very high	49 Å²	49	34.1 Å²	34.1	51%	0.505	19%	0.189	S	C	.	.	S	Bend	trans	86.8	-2.8	-178.2	0	0	0	0	0	114.7	W428 P429 R433	W428-G431 PolarHBondContact O-N 3.31Å; P429-G431 VanDerWaalsContact C-N 3.26Å; P429-G431 PolarHBondContact O-N 3.22Å; G431-R433 PolarHBondContact O-N 3.03Å
432	K	97.9	Very high	95.8	Very high	21 Å²	21	32.2 Å²	32.2	9%	0.091	17%	0.174	C	C	.	.			trans	-62.5	136.3	172	179.3	-161.5	60.5	168.2	0	109.7	L385 D386 M388 I427 W428 D430	L385-K432 PolarHBondContact O-NZ 3.45Å; D386-K432 VanDerWaalsContact CA-NZ 3.25Å; D386-K432 PolarHBondContact O-NZ 2.76Å; M388-K432 VanDerWaalsContact O-CD 3.23Å; M388-K432 WeakPolarHBondContact O-CD 3.16Å; I427-K432 WeakPolarHBondContact CA-O 3.35Å; W428-K432 HydrophobicContact CB-CB 4.28Å; W428-K432 VanDerWaalsContact CE3-CE 3.47Å; W428-K432 VanDerWaalsContact CG-CE 3.44Å; W428-K432 PolarHBondContact N-O 3.46Å; D430-K432 WeakPolarHBondContact OD1-CB 3.33Å; D430-K432 PolarHBondContact OD1-N 2.88Å
433	R	97.6	Very high	95.9	Very high	80 Å²	80	29.8 Å²	29.8	30%	0.302	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.3	178.5	-180	-179.3	-74.3	-179.5	-1.8	111.6	N390 S391 E417 H425 V426 I427 G431	N390-R433 WeakPolarHBondContact OD1-CB 3.42Å; N390-R433 PolarHBondContact OD1-N 3.49Å; S391-R433 WeakPolarHBondContact CA-O 3.44Å; S391-R433 PolarHBondContact N-O 3.26Å; E417-R433 IonicContact OE2-NH2 3.74Å; H425-R433 HydrophobicContact CB-CG 3.92Å; H425-R433 PolarHBondContact CE1-NH1 3.29Å; H425-R433 VanDerWaalsContact CG-CD 3.4Å; H425-R433 WeakPolarHBondContact ND1-CD 3.37Å; H425-R433 VanDerWaalsContact ND1-CZ 3.3Å; H425-R433 PolarHBondContact ND1-NE 2.85Å; H425-R433 PolarHBondContact ND1-NH1 3.09Å; V426-R433 CarbonylContact O-C 3.05Å; V426-R433 WeakPolarHBondContact O-CA 3.32Å; I427-R433 HydrophobicContact CG1-CB 4.48Å; I427-R433 HydrophobicContact CG1-CG 4.28Å; G431-R433 PolarHBondContact O-N 3.03Å
434	V	98.5	Very high	95.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.4	164.6	171	0	0	0	0	108.5	L385 M388 V394 H425 V426 W428	L385-V434 HydrophobicContact CD2-CG1 4.47Å; M388-V434 HydrophobicContact CB-CG2 4.41Å; M388-V434 HydrophobicContact SD-CG1 4.45Å; M388-V434 HydrophobicContact SD-CG2 4.18Å; V394-V434 HydrophobicContact CB-CG1 4.34Å; V394-V434 HydrophobicContact CG2-CG1 3.61Å; H425-V434 WeakPolarHBondContact CA-O 3.44Å; V426-V434 PolarHBondContact N-O 3.02Å; V426-V434 PolarHBondContact O-N 3.22Å; W428-V434 HydrophobicContact CE3-CG2 4.48Å; W428-V434 HydrophobicContact CH2-CB 4.21Å; W428-V434 HydrophobicContact CH2-CG2 3.72Å; W428-V434 HydrophobicContact CZ3-CB 3.82Å; W428-V434 HydrophobicContact CZ3-CG2 3.51Å
435	V	98.6	Very high	94.6	Very high	14 Å²	14	31.4 Å²	31.4	9%	0.085	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.8	174.4	-173.9	0	0	0	0	107.7	T305 C392 I393 V394 V423 L437	T305-V435 HydrophobicContact CG2-CG1 4.33Å; C392-V435 PolarHBondContact O-N 3.3Å; I393-V435 CarbonylContact C-O 3.56Å; I393-V435 WeakPolarHBondContact CA-O 3.2Å; I393-V435 HydrophobicContact CG1-CB 4.09Å; I393-V435 HydrophobicContact CG1-CG1 4.44Å; I393-V435 HydrophobicContact CG1-CG2 4.47Å; V394-V435 PolarHBondContact N-O 2.9Å; V423-V435 HydrophobicContact CG1-CG1 3.85Å; V435-L437 HydrophobicContact CG1-CD2 4.05Å
436	L	98.3	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.7	-179.9	-177.7	65.1	0	0	0	109.9	V394 V406 L409 W416 D424 V426	V394-L436 HydrophobicContact CB-CD1 4.37Å; V406-L436 HydrophobicContact CG1-CD2 4.09Å; V406-L436 HydrophobicContact CG2-CD2 4.17Å; L409-L436 HydrophobicContact CD1-CD2 4.43Å; W416-L436 HydrophobicContact CH2-CD2 3.58Å; W416-L436 HydrophobicContact CZ3-CD2 3.98Å; D424-L436 PolarHBondContact N-O 3.18Å; D424-L436 PolarHBondContact O-N 3.13Å; V426-L436 HydrophobicContact CG2-CB 4.41Å
437	L	96.8	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.7	178.7	-52.1	-170	0	0	0	111	L301 T304 T305 I393 V394 C395 V423 V435 E439 G440 L443	L301-L437 HydrophobicContact CD2-CD1 3.83Å; T304-L437 HydrophobicContact CG2-CD2 4.4Å; T304-L437 WeakPolarHBondContact OG1-CD1 3.4Å; T305-L437 HydrophobicContact CG2-CD1 4.2Å; T305-L437 HydrophobicContact CG2-CD2 3.85Å; I393-L437 HydrophobicContact CG2-CD1 3.87Å; I393-L437 HydrophobicContact CG2-CG 4.08Å; V394-L437 PolarHBondContact O-N 3.42Å; C395-L437 HydrophobicContact CB-CB 3.88Å; C395-L437 HydrophobicContact CB-CD1 3.88Å; C395-L437 HydrophobicContact CB-CG 4.1Å; V423-L437 HydrophobicContact CG1-CD2 4.16Å; V423-L437 HydrophobicContact CG2-CD2 4.07Å; V435-L437 HydrophobicContact CG1-CD2 4.05Å; L437-E439 PolarHBondContact O-N 2.91Å; L437-G440 PolarHBondContact O-N 3.19Å; L437-L443 HydrophobicContact CB-CD1 3.83Å; L437-L443 HydrophobicContact CD1-CD1 3.68Å; L437-L443 HydrophobicContact CG-CD1 4.42Å
438	A	92.4	Very high	92.8	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.041	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	49.9	26.8	176.4	0	0	0	0	0	114.9	Q422 G440 R441	Q422-A438 HydrophobicContact CB-CB 4.34Å; Q422-A438 PolarHBondContact O-N 2.88Å; A438-G440 PolarHBondContact O-N 3.44Å; A438-G440 VanDerWaalsContact O-N 3.16Å; A438-R441 HydrophobicContact CB-CB 4.28Å; A438-R441 VanDerWaalsContact O-CB 3.28Å; A438-R441 WeakPolarHBondContact O-CB 3.34Å; A438-R441 WeakPolarHBondContact O-CG 3.49Å; A438-R441 PolarHBondContact O-N 2.84Å
439	E	92.9	Very high	92	Very high	55 Å²	55	33.3 Å²	33.3	26%	0.257	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	49.4	38.1	-172.8	-57.6	177.2	-122.8	0	0	112.7	R410 L437 R441	R410-E439 IonicContact NH2-OE2 3.63Å; R410-E439 PolarHBondContact NH2-OE2 3.42Å; L437-E439 PolarHBondContact O-N 2.91Å; E439-R441 VanDerWaalsContact C-N 3.29Å; E439-R441 PolarHBondContact O-N 3.01Å; E439-R441 IonicContact OE1-NH1 2.93Å; E439-R441 IonicContact OE2-NH1 3.59Å
440	G	92.4	Very high	91.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	77.6	4.2	-179.5	0	0	0	0	0	115.5	N396 N401 L437 A438	N396-G440 VanDerWaalsContact CB-O 3.32Å; N396-G440 WeakPolarHBondContact CB-O 3.46Å; N396-G440 PolarHBondContact ND2-O 2.65Å; N401-G440 WeakPolarHBondContact CA-O 3.46Å; L437-G440 PolarHBondContact O-N 3.19Å; A438-G440 PolarHBondContact O-N 3.44Å; A438-G440 VanDerWaalsContact O-N 3.16Å
441	R	89.3	Confident	91	Very high	52 Å²	52	24.2 Å²	24.2	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-74.5	167.6	170.4	-62.2	179.4	178	86.6	-5	111.2	N401 A438 E439 L443	N401-R441 HydrophobicContact CB-CG 3.96Å; A438-R441 HydrophobicContact CB-CB 4.28Å; A438-R441 VanDerWaalsContact O-CB 3.28Å; A438-R441 WeakPolarHBondContact O-CB 3.34Å; A438-R441 WeakPolarHBondContact O-CG 3.49Å; A438-R441 PolarHBondContact O-N 2.84Å; E439-R441 VanDerWaalsContact C-N 3.29Å; E439-R441 PolarHBondContact O-N 3.01Å; E439-R441 IonicContact OE1-NH1 2.93Å; E439-R441 IonicContact OE2-NH1 3.59Å; R441-L443 PolarHBondContact O-N 2.81Å
442	L	88.4	Confident	90.9	Very high	24 Å²	24	23 Å²	23	13%	0.126	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-58.5	116.2	-177	-174.3	119.7	0	0	0	111.7	M397 G398 N444 L445 S446	M397-L442 WeakPolarHBondContact O-CD1 3.41Å; G398-L442 VanDerWaalsContact O-CD1 3.28Å; G398-L442 WeakPolarHBondContact O-CD1 3.42Å; L442-N444 WeakPolarHBondContact CD2-OD1 3.34Å; L442-N444 WeakPolarHBondContact CG-OD1 3.26Å; L442-L445 HydrophobicContact CD2-CB 3.81Å; L442-L445 HydrophobicContact CD2-CD1 3.45Å; L442-L445 VanDerWaalsContact CD2-CD1 3.45Å; L442-L445 HydrophobicContact CD2-CG 3.53Å; L442-S446 VanDerWaalsContact O-CB 3.25Å; L442-S446 WeakPolarHBondContact O-CB 3.18Å; L442-S446 PolarHBondContact O-N 3Å; L442-S446 PolarHBondContact O-OG 3.38Å
443	L	91.3	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-45.3	-169.3	-178.4	78.3	0	0	0	113.2	I297 L301 C395 N396 M397 L437 R441 L445 S446 C447	I297-L443 HydrophobicContact CD1-CD2 3.61Å; L301-L443 HydrophobicContact CG-CD2 4.34Å; C395-L443 HydrophobicContact CB-CD1 4.14Å; C395-L443 HydrophobicContact CB-CD2 4.24Å; N396-L443 WeakPolarHBondContact O-CB 3.39Å; N396-L443 PolarHBondContact O-N 3.38Å; M397-L443 HydrophobicContact SD-CB 3.93Å; M397-L443 HydrophobicContact SD-CD2 4.14Å; L437-L443 HydrophobicContact CB-CD1 3.83Å; L437-L443 HydrophobicContact CD1-CD1 3.68Å; L437-L443 HydrophobicContact CG-CD1 4.42Å; R441-L443 PolarHBondContact O-N 2.81Å; L443-L445 PolarHBondContact O-N 3.18Å; L443-S446 PolarHBondContact O-N 3.45Å; L443-C447 HydrophobicContact CD1-CB 3.66Å; L443-C447 HydrophobicContact CG-CB 4.21Å; L443-C447 WeakPolarHBondContact O-CA 3.37Å; L443-C447 WeakPolarHBondContact O-CB 3.37Å; L443-C447 PolarHBondContact O-N 3.12Å
444	N	85.9	Confident	90.6	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.07	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-24.6	-173.1	57.4	-37.6	0	0	0	113.9	S296 M397 L442 S448 V450	S296-N444 VanDerWaalsContact CB-CB 3.42Å; S296-N444 WeakPolarHBondContact OG-CB 3.02Å; M397-N444 HydrophobicContact CE-CB 4.09Å; M397-N444 HydrophobicContact SD-CB 4.22Å; L442-N444 WeakPolarHBondContact CD2-OD1 3.34Å; L442-N444 WeakPolarHBondContact CG-OD1 3.26Å; N444-S448 CarbonylContact O-C 3.6Å; N444-S448 VanDerWaalsContact O-CB 3.32Å; N444-S448 WeakPolarHBondContact O-CB 3.33Å; N444-V450 HydrophobicContact CB-CG1 4.41Å
445	L	81.6	Confident	90.4	Very high	39 Å²	39	21.9 Å²	21.9	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-100.3	-28.4	174.7	-62.8	176.2	0	0	0	113.1	H153 L442 L443 V450	H153-L445 WeakPolarHBondContact CD2-CD1 3.31Å; H153-L445 WeakPolarHBondContact CE1-CD1 3.31Å; H153-L445 WeakPolarHBondContact NE2-CD1 3.45Å; L442-L445 HydrophobicContact CD2-CB 3.81Å; L442-L445 HydrophobicContact CD2-CD1 3.45Å; L442-L445 VanDerWaalsContact CD2-CD1 3.45Å; L442-L445 HydrophobicContact CD2-CG 3.53Å; L443-L445 PolarHBondContact O-N 3.18Å; L445-V450 HydrophobicContact CD2-CG1 3.76Å; L445-V450 HydrophobicContact CD2-CG2 4.15Å
446	S	83.7	Confident	90.4	Very high	14 Å²	14	21.2 Å²	21.2	10%	0.098	12%	0.115	C	C	.	.	H	α-helix	trans	-81.5	-28.7	-179.2	-54.3	0	0	0	0	112.6	L442 L443	L442-S446 VanDerWaalsContact O-CB 3.25Å; L442-S446 WeakPolarHBondContact O-CB 3.18Å; L442-S446 PolarHBondContact O-N 3Å; L442-S446 PolarHBondContact O-OG 3.38Å; L443-S446 PolarHBondContact O-N 3.45Å
447	C	86.4	Confident	90.3	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.081	12%	0.116	C	C	.	.	S	Bend	trans	-133.6	0.2	-166.7	-61.8	0	0	0	0	114.3	T304 Q422 L443	T304-C447 HydrophobicContact CG2-CB 3.53Å; T304-C447 VanDerWaalsContact CG2-SG 3.55Å; Q422-C447 VanDerWaalsContact CB-SG 3.52Å; L443-C447 HydrophobicContact CD1-CB 3.66Å; L443-C447 HydrophobicContact CG-CB 4.21Å; L443-C447 WeakPolarHBondContact O-CA 3.37Å; L443-C447 WeakPolarHBondContact O-CB 3.37Å; L443-C447 PolarHBondContact O-N 3.12Å
448	S	86.5	Confident	90.3	Very high	13 Å²	13	21.6 Å²	21.6	9%	0.091	12%	0.117	C	C	.	.	S	Bend	trans	-140.4	173.9	-175.8	178.3	0	0	0	0	110.5	S296 D299 N444	S296-S448 PolarHBondContact O-OG 2.98Å; D299-S448 WeakPolarHBondContact CB-OG 3.21Å; D299-S448 VanDerWaalsContact OD2-CA 3.32Å; D299-S448 WeakPolarHBondContact OD2-CA 3.33Å; D299-S448 VanDerWaalsContact OD2-CB 3.31Å; D299-S448 WeakPolarHBondContact OD2-CB 3.33Å; D299-S448 PolarHBondContact OD2-OG 3.07Å; N444-S448 CarbonylContact O-C 3.6Å; N444-S448 VanDerWaalsContact O-CB 3.32Å; N444-S448 WeakPolarHBondContact O-CB 3.33Å
449	T	81.8	Confident	90.6	Very high	75 Å²	75	21.7 Å²	21.7	46%	0.46	12%	0.117	S	C	.	.			trans	-108.8	137.6	163.7	47.6	0	0	0	0	109.5	D299 R303	D299-T449 PolarHBondContact OD2-N 3.04Å; D299-T449 VanDerWaalsContact OD2-N 3.09Å; R303-T449 PolarHBondContact NH2-OG1 3.1Å
450	V	83.8	Confident	90.8	Very high	17 Å²	17	19 Å²	19	10%	0.103	11%	0.105	C	C	.	.			trans	-88.3	142.9	179.2	-71.1	0	0	0	0	111.4	C292 N444 L445 T452 L455	C292-V450 WeakPolarHBondContact SG-CG1 3.15Å; N444-V450 HydrophobicContact CB-CG1 4.41Å; L445-V450 HydrophobicContact CD2-CG1 3.76Å; L445-V450 HydrophobicContact CD2-CG2 4.15Å; V450-T452 PolarHBondContact O-N 3.43Å; V450-L455 HydrophobicContact CB-CD1 4.33Å; V450-L455 HydrophobicContact CG2-CD1 3.42Å; V450-L455 VanDerWaalsContact CG2-CD1 3.42Å; V450-L455 HydrophobicContact CG2-CG 4.09Å
451	P	90.8	Very high	91	Very high	24 Å²	24	19 Å²	19	16%	0.156	11%	0.105	C	C	.	.			trans	-64.9	122.3	-177.1	-22.3	34.1	0	0	0	112.4	E295 F453 V454 L455	E295-P451 HydrophobicContact CB-CG 3.98Å; E295-P451 HydrophobicContact CG-CG 4.4Å; E295-P451 WeakPolarHBondContact OE2-CG 3.49Å; P451-F453 VanDerWaalsContact C-N 3.27Å; P451-F453 PolarHBondContact O-N 3.01Å; P451-V454 HydrophobicContact CB-CG2 4.22Å; P451-V454 PolarHBondContact O-N 3.48Å; P451-V454 VanDerWaalsContact O-N 3.16Å; P451-L455 PolarHBondContact O-N 3.04Å
452	T	94.4	Very high	91.5	Very high	24 Å²	24	16.9 Å²	16.9	15%	0.147	10%	0.097	C	C	.	.	H	α-helix	trans	-54.4	-42.5	-178.8	-63.4	0	0	0	0	112.7	A123 D126 M127 Q157 V450 V454 L455 S456	A123-T452 HydrophobicContact CB-CG2 4.09Å; A123-T452 WeakPolarHBondContact O-CG2 3.48Å; D126-T452 HydrophobicContact CB-CG2 3.57Å; M127-T452 HydrophobicContact CG-CG2 3.48Å; M127-T452 VanDerWaalsContact CG-CG2 3.48Å; M127-T452 HydrophobicContact SD-CG2 4.02Å; Q157-T452 HydrophobicContact CG-CG2 3.95Å; Q157-T452 PolarHBondContact NE2-OG1 2.9Å; V450-T452 PolarHBondContact O-N 3.43Å; T452-V454 VanDerWaalsContact C-N 3.34Å; T452-V454 PolarHBondContact O-N 2.95Å; T452-L455 CarbonylContact O-C 3.12Å; T452-L455 PolarHBondContact O-N 3.27Å; T452-S456 PolarHBondContact O-N 2.98Å
453	F	95.4	Very high	91.9	Very high	43 Å²	43	15.8 Å²	15.8	19%	0.189	9%	0.091	C	C	.	.	H	α-helix	trans	-60.3	-42.3	-178.8	-173.4	-91.5	0	0	0	112.7	P451 S456 I457 H496 F500	P451-F453 VanDerWaalsContact C-N 3.27Å; P451-F453 PolarHBondContact O-N 3.01Å; F453-S456 WeakPolarHBondContact O-CB 3.35Å; F453-S456 PolarHBondContact O-N 3.38Å; F453-I457 HydrophobicContact CD1-CD1 4.33Å; F453-I457 HydrophobicContact CE1-CD1 3.96Å; F453-I457 HydrophobicContact CE1-CG1 4.48Å; F453-I457 PolarHBondContact O-N 3.43Å; F453-H496 HydrophobicContact CZ-CB 3.87Å; F453-F500 HydrophobicContact CD1-CE2 4.47Å; F453-F500 HydrophobicContact CD1-CZ 4.03Å; F453-F500 AromaticContact CE1-CE2 3.39Å; F453-F500 HydrophobicContact CE1-CE2 3.39Å; F453-F500 AromaticContact CE1-CZ 3.34Å; F453-F500 HydrophobicContact CE1-CZ 3.34Å; F453-F500 HydrophobicContact CE2-CE2 4.12Å; F453-F500 HydrophobicContact CE2-CZ 4.16Å; F453-F500 HydrophobicContact CZ-CD2 4.12Å; F453-F500 AromaticContact CZ-CE2 3.15Å; F453-F500 HydrophobicContact CZ-CE2 3.15Å; F453-F500 AromaticContact CZ-CZ 3.41Å; F453-F500 HydrophobicContact CZ-CZ 3.41Å; F453-F500 VanDerWaalsContact CZ-CZ 3.41Å
454	V	94.1	Very high	92.2	Very high	9 Å²	9	16 Å²	16	6%	0.055	9%	0.092	C	C	.	.	H	α-helix	trans	-68.6	-40.5	179.5	179.7	0	0	0	0	110.3	F287 D288 C292 P451 T452 S456 I457 T458	F287-V454 HydrophobicContact CB-CG1 4.37Å; F287-V454 WeakPolarHBondContact O-CG1 3.26Å; D288-V454 VanDerWaalsContact CA-CG1 3.47Å; D288-V454 HydrophobicContact CB-CG1 4.24Å; C292-V454 HydrophobicContact CB-CG1 3.99Å; P451-V454 HydrophobicContact CB-CG2 4.22Å; P451-V454 PolarHBondContact O-N 3.48Å; P451-V454 VanDerWaalsContact O-N 3.16Å; T452-V454 VanDerWaalsContact C-N 3.34Å; T452-V454 PolarHBondContact O-N 2.95Å; V454-S456 VanDerWaalsContact C-N 3.27Å; V454-S456 PolarHBondContact O-N 3.3Å; V454-I457 WeakPolarHBondContact O-CB 3.31Å; V454-I457 PolarHBondContact O-N 2.99Å; V454-I457 VanDerWaalsContact O-N 3.11Å; V454-T458 PolarHBondContact O-N 2.93Å
455	L	94.6	Very high	92.7	Very high	27 Å²	27	15.3 Å²	15.3	14%	0.141	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-27.7	173.4	-68.4	-164.1	0	0	0	113.3	Q157 V450 P451 T452 I457 T458 A459	Q157-L455 HydrophobicContact CB-CB 3.99Å; Q157-L455 HydrophobicContact CB-CD1 3.69Å; Q157-L455 HydrophobicContact CG-CB 4.03Å; Q157-L455 HydrophobicContact CG-CD1 3.73Å; Q157-L455 HydrophobicContact CG-CG 4.45Å; V450-L455 HydrophobicContact CB-CD1 4.33Å; V450-L455 HydrophobicContact CG2-CD1 3.42Å; V450-L455 VanDerWaalsContact CG2-CD1 3.42Å; V450-L455 HydrophobicContact CG2-CG 4.09Å; P451-L455 PolarHBondContact O-N 3.04Å; T452-L455 CarbonylContact O-C 3.12Å; T452-L455 PolarHBondContact O-N 3.27Å; L455-I457 PolarHBondContact O-N 3.02Å; L455-T458 PolarHBondContact O-N 3.01Å; L455-A459 WeakPolarHBondContact O-CB 3.46Å; L455-A459 PolarHBondContact O-N 2.94Å
456	S	97.4	Very high	93.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.7	-41.7	170.5	-174.2	0	0	0	0	111.5	M127 T452 F453 V454 T460 H496	M127-S456 WeakPolarHBondContact CA-OG 3.48Å; T452-S456 PolarHBondContact O-N 2.98Å; F453-S456 WeakPolarHBondContact O-CB 3.35Å; F453-S456 PolarHBondContact O-N 3.38Å; V454-S456 VanDerWaalsContact C-N 3.27Å; V454-S456 PolarHBondContact O-N 3.3Å; S456-T460 VanDerWaalsContact O-CB 3.24Å; S456-T460 WeakPolarHBondContact O-CB 3.38Å; S456-T460 PolarHBondContact O-N 2.82Å; S456-T460 PolarHBondContact O-OG1 3.44Å; S456-H496 VanDerWaalsContact C-NE2 3.32Å; S456-H496 WeakPolarHBondContact CB-NE2 3.49Å; S456-H496 PolarHBondContact O-NE2 3.26Å; S456-H496 PolarHBondContact OG-NE2 3Å
457	I	97.3	Very high	94.2	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-49.8	-179	-57.9	172.5	0	0	0	109.6	T283 F287 F453 V454 L455 T460 T461 V492 H496	T283-I457 HydrophobicContact CG2-CG2 4.34Å; T283-I457 WeakPolarHBondContact O-CG2 3.19Å; F287-I457 HydrophobicContact CB-CD1 4.06Å; F287-I457 HydrophobicContact CD1-CD1 3.63Å; F287-I457 HydrophobicContact CE1-CD1 4.33Å; F287-I457 HydrophobicContact CG-CD1 3.99Å; F453-I457 HydrophobicContact CD1-CD1 4.33Å; F453-I457 HydrophobicContact CE1-CD1 3.96Å; F453-I457 HydrophobicContact CE1-CG1 4.48Å; F453-I457 PolarHBondContact O-N 3.43Å; V454-I457 WeakPolarHBondContact O-CB 3.31Å; V454-I457 PolarHBondContact O-N 2.99Å; V454-I457 VanDerWaalsContact O-N 3.11Å; L455-I457 PolarHBondContact O-N 3.02Å; I457-T460 PolarHBondContact O-N 3.38Å; I457-T461 WeakPolarHBondContact O-CB 3.42Å; I457-T461 PolarHBondContact O-N 3.45Å; I457-T461 PolarHBondContact O-OG1 3.06Å; I457-V492 HydrophobicContact CG2-CG1 3.77Å; I457-H496 PolarHBondContact N-NE2 3.12Å
458	T	96.1	Very high	94.6	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	8%	0.079	C	C	.	.	H	α-helix	trans	-59	-50.6	176.6	-60.3	0	0	0	0	111.4	E254 K284 D288 V454 L455 T460 T461 Q462	E254-T458 HydrophobicContact CG-CG2 3.88Å; K284-T458 HydrophobicContact CG-CG2 4.01Å; D288-T458 PolarHBondContact OD2-OG1 3.13Å; V454-T458 PolarHBondContact O-N 2.93Å; L455-T458 PolarHBondContact O-N 3.01Å; T458-T460 PolarHBondContact O-N 3.42Å; T458-T461 WeakPolarHBondContact O-CA 3.4Å; T458-T461 VanDerWaalsContact O-CB 3.26Å; T458-T461 WeakPolarHBondContact O-CB 3.35Å; T458-T461 PolarHBondContact O-N 3.34Å; T458-T461 VanDerWaalsContact O-N 3.07Å; T458-Q462 WeakPolarHBondContact O-CG 3.23Å; T458-Q462 PolarHBondContact O-N 3.18Å
459	A	97.7	Very high	95.1	Very high	6 Å²	6	13.6 Å²	13.6	5%	0.05	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-39	-179.1	0	0	0	0	0	112.8	M127 L130 L161 L455 T461 Q462 A463	M127-A459 HydrophobicContact CE-CB 3.96Å; L130-A459 HydrophobicContact CD1-CB 3.84Å; L161-A459 HydrophobicContact CB-CB 4.07Å; L161-A459 HydrophobicContact CD1-CB 4.24Å; L161-A459 WeakPolarHBondContact CD1-O 3.49Å; L161-A459 HydrophobicContact CD2-CB 4.19Å; L161-A459 HydrophobicContact CG-CB 4.39Å; L455-A459 WeakPolarHBondContact O-CB 3.46Å; L455-A459 PolarHBondContact O-N 2.94Å; A459-T461 VanDerWaalsContact C-N 3.31Å; A459-T461 PolarHBondContact O-N 2.98Å; A459-Q462 PolarHBondContact O-N 3.19Å; A459-A463 WeakPolarHBondContact O-CB 3.39Å; A459-A463 PolarHBondContact O-N 3.23Å
460	T	97.9	Very high	95.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.9	-40.8	174	-57.5	0	0	0	0	110.5	A129 L133 S456 I457 T458 A463 L464 V492 L495	A129-T460 HydrophobicContact CB-CG2 4.23Å; L133-T460 HydrophobicContact CD1-CG2 4.04Å; S456-T460 VanDerWaalsContact O-CB 3.24Å; S456-T460 WeakPolarHBondContact O-CB 3.38Å; S456-T460 PolarHBondContact O-N 2.82Å; S456-T460 PolarHBondContact O-OG1 3.44Å; I457-T460 PolarHBondContact O-N 3.38Å; T458-T460 PolarHBondContact O-N 3.42Å; T460-A463 PolarHBondContact O-N 3.46Å; T460-L464 HydrophobicContact CG2-CD1 4.31Å; T460-L464 WeakPolarHBondContact O-CB 3.27Å; T460-L464 WeakPolarHBondContact O-CG 3.49Å; T460-L464 PolarHBondContact O-N 2.87Å; T460-V492 HydrophobicContact CG2-CG1 4.24Å; T460-V492 HydrophobicContact CG2-CG2 4.14Å; T460-L495 HydrophobicContact CG2-CD1 3.95Å
461	T	97.4	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61	-44.8	175.5	-50.6	0	0	0	0	111.1	V278 T283 I457 T458 A459 L464 A465 L484	V278-T461 HydrophobicContact CG1-CG2 3.72Å; V278-T461 HydrophobicContact CG2-CG2 4.34Å; T283-T461 PolarHBondContact OG1-OG1 3.2Å; I457-T461 WeakPolarHBondContact O-CB 3.42Å; I457-T461 PolarHBondContact O-N 3.45Å; I457-T461 PolarHBondContact O-OG1 3.06Å; T458-T461 WeakPolarHBondContact O-CA 3.4Å; T458-T461 VanDerWaalsContact O-CB 3.26Å; T458-T461 WeakPolarHBondContact O-CB 3.35Å; T458-T461 PolarHBondContact O-N 3.34Å; T458-T461 VanDerWaalsContact O-N 3.07Å; A459-T461 VanDerWaalsContact C-N 3.31Å; A459-T461 PolarHBondContact O-N 2.98Å; T461-L464 PolarHBondContact O-N 3.31Å; T461-A465 WeakPolarHBondContact O-CB 3.27Å; T461-A465 PolarHBondContact O-N 3.47Å; T461-L484 HydrophobicContact CG2-CD2 3.63Å
462	Q	98.2	Very high	96.5	Very high	7 Å²	7	14.6 Å²	14.6	3%	0.033	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-46.8	175.8	-69.8	172.1	-38.5	0	0	112.4	L161 L227 V252 E254 V278 T458 A459 L464 A465 L466	L161-Q462 HydrophobicContact CD2-CB 4.42Å; L227-Q462 HydrophobicContact CD1-CB 3.94Å; L227-Q462 HydrophobicContact CD1-CG 3.92Å; L227-Q462 HydrophobicContact CD2-CB 4.48Å; V252-Q462 HydrophobicContact CG1-CG 4.47Å; E254-Q462 PolarHBondContact OE2-NE2 2.99Å; V278-Q462 HydrophobicContact CG1-CG 4.03Å; T458-Q462 WeakPolarHBondContact O-CG 3.23Å; T458-Q462 PolarHBondContact O-N 3.18Å; A459-Q462 PolarHBondContact O-N 3.19Å; Q462-L464 VanDerWaalsContact C-N 3.33Å; Q462-L464 PolarHBondContact O-N 2.94Å; Q462-A465 PolarHBondContact O-N 3.05Å; Q462-L466 WeakPolarHBondContact O-CG 3.42Å; Q462-L466 PolarHBondContact O-N 3.06Å
463	A	97.9	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.1	-43.8	178.6	0	0	0	0	0	111.7	L130 L133 L161 L165 A459 T460 L466 I467	L130-A463 HydrophobicContact CD2-CB 4.3Å; L133-A463 HydrophobicContact CD1-CB 4.46Å; L161-A463 HydrophobicContact CD1-CB 3.97Å; L165-A463 HydrophobicContact CD2-CB 4.14Å; A459-A463 WeakPolarHBondContact O-CB 3.39Å; A459-A463 PolarHBondContact O-N 3.23Å; T460-A463 PolarHBondContact O-N 3.46Å; A463-L466 PolarHBondContact O-N 3.02Å; A463-I467 VanDerWaalsContact O-CG1 3.32Å; A463-I467 WeakPolarHBondContact O-CG1 3.39Å; A463-I467 PolarHBondContact O-N 3.14Å
464	L	97.1	Very high	96.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-68.4	-38.2	176.9	-71.1	-176.6	0	0	0	112.4	L133 T460 T461 Q462 L466 I467 E468 M488 Y491 V492	L133-L464 HydrophobicContact CD1-CD2 4.34Å; L133-L464 HydrophobicContact CD2-CD2 4.29Å; T460-L464 HydrophobicContact CG2-CD1 4.31Å; T460-L464 WeakPolarHBondContact O-CB 3.27Å; T460-L464 WeakPolarHBondContact O-CG 3.49Å; T460-L464 PolarHBondContact O-N 2.87Å; T461-L464 PolarHBondContact O-N 3.31Å; Q462-L464 VanDerWaalsContact C-N 3.33Å; Q462-L464 PolarHBondContact O-N 2.94Å; L464-L466 VanDerWaalsContact C-N 3.33Å; L464-L466 PolarHBondContact O-N 3.12Å; L464-I467 HydrophobicContact CD2-CD1 4.24Å; L464-I467 PolarHBondContact O-N 3.11Å; L464-E468 WeakPolarHBondContact O-CB 3.23Å; L464-E468 PolarHBondContact O-N 2.83Å; L464-M488 HydrophobicContact CB-CE 3.67Å; L464-M488 VanDerWaalsContact O-CE 3.22Å; L464-M488 WeakPolarHBondContact O-CE 3.28Å; L464-Y491 HydrophobicContact CD1-CD1 3.77Å; L464-Y491 HydrophobicContact CD1-CE1 4.25Å; L464-Y491 HydrophobicContact CD2-CE1 4.46Å; L464-V492 HydrophobicContact CD1-CG2 3.61Å
465	A	97.8	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-40.5	173.4	0	0	0	0	0	112.2	V252 M276 V278 T461 Q462 E468 L469 L484	V252-A465 HydrophobicContact CG1-CB 3.84Å; V252-A465 HydrophobicContact CG2-CB 3.81Å; M276-A465 HydrophobicContact CB-CB 4.28Å; M276-A465 HydrophobicContact CG-CB 4Å; V278-A465 HydrophobicContact CG2-CB 3.7Å; T461-A465 WeakPolarHBondContact O-CB 3.27Å; T461-A465 PolarHBondContact O-N 3.47Å; Q462-A465 PolarHBondContact O-N 3.05Å; A465-E468 PolarHBondContact O-N 3.22Å; A465-L469 PolarHBondContact O-N 3.38Å; A465-L484 HydrophobicContact CB-CD1 4.02Å
466	L	98.1	Very high	96	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-44.8	175	-74.5	164.7	0	0	0	111.4	I148 L165 M225 L227 V252 Q462 A463 L464 E468 Y470	I148-L466 HydrophobicContact CD1-CD1 4.17Å; I148-L466 HydrophobicContact CD1-CD2 4.47Å; L165-L466 HydrophobicContact CD1-CD1 3.83Å; L165-L466 HydrophobicContact CD2-CD1 3.64Å; L165-L466 HydrophobicContact CG-CD1 4.41Å; M225-L466 HydrophobicContact CB-CD2 4.5Å; M225-L466 HydrophobicContact CE-CD2 3.73Å; L227-L466 HydrophobicContact CB-CD1 4.48Å; L227-L466 HydrophobicContact CD1-CD1 4.46Å; L227-L466 HydrophobicContact CD2-CD1 4.29Å; V252-L466 HydrophobicContact CB-CD2 4.31Å; V252-L466 HydrophobicContact CB-CG 4.44Å; V252-L466 HydrophobicContact CG2-CD2 3.76Å; V252-L466 HydrophobicContact CG2-CG 3.88Å; Q462-L466 WeakPolarHBondContact O-CG 3.42Å; Q462-L466 PolarHBondContact O-N 3.06Å; A463-L466 PolarHBondContact O-N 3.02Å; L464-L466 VanDerWaalsContact C-N 3.33Å; L464-L466 PolarHBondContact O-N 3.12Å; L466-E468 VanDerWaalsContact C-N 3.34Å; L466-Y470 WeakPolarHBondContact O-CB 3.47Å; L466-Y470 PolarHBondContact O-N 3.2Å
467	I	96.8	Very high	95.9	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-45.4	175.6	-71.1	164.4	0	0	0	110.8	P142 L143 L168 A463 L464 N471	P142-I467 HydrophobicContact CB-CG1 4.36Å; P142-I467 HydrophobicContact CB-CG2 4.18Å; P142-I467 HydrophobicContact CG-CD1 4.13Å; P142-I467 HydrophobicContact CG-CG1 4.2Å; L143-I467 HydrophobicContact CD1-CG1 4.22Å; L143-I467 HydrophobicContact CD2-CG1 3.92Å; L143-I467 HydrophobicContact CG-CG1 3.93Å; L168-I467 HydrophobicContact CD1-CD1 4.02Å; L168-I467 HydrophobicContact CD2-CD1 4.31Å; A463-I467 VanDerWaalsContact O-CG1 3.32Å; A463-I467 WeakPolarHBondContact O-CG1 3.39Å; A463-I467 PolarHBondContact O-N 3.14Å; L464-I467 HydrophobicContact CD2-CD1 4.24Å; L464-I467 PolarHBondContact O-N 3.11Å; I467-N471 WeakPolarHBondContact O-CB 3.49Å; I467-N471 PolarHBondContact O-N 2.88Å; I467-N471 VanDerWaalsContact O-N 3.08Å; I467-N471 PolarHBondContact O-ND2 3.19Å
468	E	96.2	Very high	95.8	Very high	19 Å²	19	40.8 Å²	40.8	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-53.2	-179.9	174.9	55.1	-153	0	0	111.5	M276 L464 A465 L466 Y470 A472 R476 Y477 P485 M488	M276-E468 HydrophobicContact CE-CB 4.48Å; M276-E468 HydrophobicContact CE-CG 3.91Å; L464-E468 WeakPolarHBondContact O-CB 3.23Å; L464-E468 PolarHBondContact O-N 2.83Å; A465-E468 PolarHBondContact O-N 3.22Å; L466-E468 VanDerWaalsContact C-N 3.34Å; E468-Y470 PolarHBondContact O-N 3.2Å; E468-A472 VanDerWaalsContact O-CB 3.3Å; E468-A472 WeakPolarHBondContact O-CB 3.49Å; E468-A472 PolarHBondContact O-N 2.97Å; E468-R476 IonicContact OE1-CZ 3.75Å; E468-R476 IonicContact OE1-NE 2.78Å; E468-R476 PolarHBondContact OE1-NE 3.09Å; E468-R476 VanDerWaalsContact OE1-NE 3.12Å; E468-R476 IonicContact OE1-NH1 3.68Å; E468-R476 PolarHBondContact OE1-NH1 2.68Å; E468-R476 IonicContact OE1-NH2 3.33Å; E468-R476 PolarHBondContact OE1-NH2 2.88Å; E468-R476 IonicContact OE2-NH2 3.67Å; E468-Y477 HydrophobicContact CG-CE2 4.09Å; E468-Y477 WeakPolarHBondContact CG-OH 3.41Å; E468-Y477 VanDerWaalsContact OE1-CE2 3.26Å; E468-Y477 WeakPolarHBondContact OE1-CE2 3.36Å; E468-Y477 VanDerWaalsContact OE1-CZ 3.32Å; E468-Y477 PolarHBondContact OE1-OH 2.79Å; E468-P485 HydrophobicContact CG-CG 4.49Å; E468-M488 HydrophobicContact CB-CE 3.76Å; E468-M488 HydrophobicContact CB-SD 3.88Å; E468-M488 HydrophobicContact CG-CE 4.49Å; E468-M488 HydrophobicContact CG-SD 3.94Å
469	L	96.8	Very high	95.7	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-41.5	179.8	-77.7	178	0	0	0	112.4	M225 I251 V252 P274 M276 A465 Y477	M225-L469 HydrophobicContact CE-CB 3.87Å; M225-L469 HydrophobicContact CE-CD1 4.47Å; I251-L469 WeakPolarHBondContact O-CD1 3.34Å; V252-L469 HydrophobicContact CG2-CD1 3.8Å; P274-L469 HydrophobicContact CB-CD2 4.14Å; P274-L469 HydrophobicContact CG-CD2 4.25Å; M276-L469 HydrophobicContact CB-CD1 3.89Å; M276-L469 HydrophobicContact CB-CG 4.4Å; M276-L469 HydrophobicContact CE-CD1 4.43Å; M276-L469 HydrophobicContact CE-CD2 3.75Å; M276-L469 HydrophobicContact CE-CG 3.71Å; A465-L469 PolarHBondContact O-N 3.38Å; L469-Y477 HydrophobicContact CD2-CD2 3.89Å; L469-Y477 HydrophobicContact CD2-CE2 4.26Å; L469-Y477 HydrophobicContact CD2-CG 4.28Å
470	Y	96.8	Very high	95.6	Very high	29 Å²	29	49.3 Å²	49.3	11%	0.114	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-35.2	-175.7	-175.3	-104.1	0	0	0	112.9	L143 A144 G145 A146 M225 L466 E468	L143-Y470 HydrophobicContact CD2-CD1 4.14Å; L143-Y470 HydrophobicContact CD2-CG 4.23Å; A144-Y470 PolarHBondContact O-OH 3.3Å; G145-Y470 WeakPolarHBondContact CA-OH 3.49Å; A146-Y470 HydrophobicContact CB-CD1 4.5Å; A146-Y470 HydrophobicContact CB-CD2 3.96Å; A146-Y470 HydrophobicContact CB-CE1 4.33Å; A146-Y470 HydrophobicContact CB-CE2 3.79Å; A146-Y470 HydrophobicContact CB-CG 4.32Å; A146-Y470 PolarHBondContact N-OH 3.14Å; M225-Y470 HydrophobicContact CG-CD2 3.99Å; M225-Y470 HydrophobicContact SD-CD2 4.11Å; L466-Y470 WeakPolarHBondContact O-CB 3.47Å; L466-Y470 PolarHBondContact O-N 3.2Å; E468-Y470 PolarHBondContact O-N 3.2Å
471	N	95.1	Very high	95.6	Very high	82 Å²	82	50 Å²	50	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-99	-0.7	-178.4	-64.3	-58.3	0	0	0	113.8	P142 I467	P142-N471 PolarHBondContact O-ND2 3.46Å; P142-N471 PolarHBondContact O-OD1 3.17Å; I467-N471 WeakPolarHBondContact O-CB 3.49Å; I467-N471 PolarHBondContact O-N 2.88Å; I467-N471 VanDerWaalsContact O-N 3.08Å; I467-N471 PolarHBondContact O-ND2 3.19Å
472	A	94.4	Very high	95.5	Very high	25 Å²	25	52.9 Å²	52.9	21%	0.207	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.8	132.5	176.4	0	0	0	0	0	110.4	E468 R476 Y477	E468-A472 VanDerWaalsContact O-CB 3.3Å; E468-A472 WeakPolarHBondContact O-CB 3.49Å; E468-A472 PolarHBondContact O-N 2.97Å; A472-R476 HydrophobicContact CB-CB 4.34Å; A472-Y477 HydrophobicContact CB-CD2 3.61Å; A472-Y477 HydrophobicContact CB-CE2 3.69Å
473	P	93.3	Very high	95.3	Very high	74 Å²	74	57.2 Å²	57.2	48%	0.481	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-62.6	149.4	173	25.7	-31.5	0	0	0	110	G475 R476	P473-G475 PolarHBondContact O-N 3.05Å; P473-R476 HydrophobicContact CG-CB 4.1Å; P473-R476 VanDerWaalsContact O-CB 3.28Å; P473-R476 WeakPolarHBondContact O-CB 3.29Å; P473-R476 PolarHBondContact O-N 2.87Å
474	E	89.5	Confident	95.1	Very high	206 Å²	206	57.6 Å²	57.6	96%	0.963	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.5	179.4	-169.7	174.2	-179.1	0	0	110.7	R476	E474-R476 PolarHBondContact O-N 3.15Å
475	G	89.7	Confident	94.9	Very high	63 Å²	63	59.1 Å²	59.1	65%	0.649	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-8.9	-178	0	0	0	0	0	116	P473	P473-G475 PolarHBondContact O-N 3.05Å
476	R	94.1	Very high	94.8	Very high	122 Å²	122	60.4 Å²	60.4	46%	0.46	31%	0.309	S	S	.	.	S	Bend	trans	-61.8	-46.8	175.7	178.5	172.2	178.5	162.6	-7	112.5	E468 A472 P473 E474	E468-R476 IonicContact OE1-CZ 3.75Å; E468-R476 IonicContact OE1-NE 2.78Å; E468-R476 PolarHBondContact OE1-NE 3.09Å; E468-R476 VanDerWaalsContact OE1-NE 3.12Å; E468-R476 IonicContact OE1-NH1 3.68Å; E468-R476 PolarHBondContact OE1-NH1 2.68Å; E468-R476 IonicContact OE1-NH2 3.33Å; E468-R476 PolarHBondContact OE1-NH2 2.88Å; E468-R476 IonicContact OE2-NH2 3.67Å; A472-R476 HydrophobicContact CB-CB 4.34Å; P473-R476 HydrophobicContact CG-CB 4.1Å; P473-R476 VanDerWaalsContact O-CB 3.28Å; P473-R476 WeakPolarHBondContact O-CB 3.29Å; P473-R476 PolarHBondContact O-N 2.87Å; E474-R476 PolarHBondContact O-N 3.15Å
477	Y	95.9	Very high	94.6	Very high	34 Å²	34	63.9 Å²	63.9	13%	0.133	32%	0.324	C	S	.	.	S	Bend	trans	-113.3	125.3	176.5	-60.3	-69	0	0	0	109.6	M276 E468 L469 A472 Y482	M276-Y477 HydrophobicContact CE-CE1 4.49Å; M276-Y477 HydrophobicContact CE-CE2 4.49Å; E468-Y477 HydrophobicContact CG-CE2 4.09Å; E468-Y477 WeakPolarHBondContact CG-OH 3.41Å; E468-Y477 VanDerWaalsContact OE1-CE2 3.26Å; E468-Y477 WeakPolarHBondContact OE1-CE2 3.36Å; E468-Y477 VanDerWaalsContact OE1-CZ 3.32Å; E468-Y477 PolarHBondContact OE1-OH 2.79Å; L469-Y477 HydrophobicContact CD2-CD2 3.89Å; L469-Y477 HydrophobicContact CD2-CE2 4.26Å; L469-Y477 HydrophobicContact CD2-CG 4.28Å; A472-Y477 HydrophobicContact CB-CD2 3.61Å; A472-Y477 HydrophobicContact CB-CE2 3.69Å; Y477-Y482 AromaticContact CD1-CD1 3.72Å; Y477-Y482 HydrophobicContact CD1-CD1 3.72Å; Y477-Y482 AromaticContact CD1-CD2 3.76Å; Y477-Y482 HydrophobicContact CD1-CD2 3.76Å; Y477-Y482 AromaticContact CD1-CE1 3.94Å; Y477-Y482 HydrophobicContact CD1-CE1 3.94Å; Y477-Y482 HydrophobicContact CD1-CE2 4.02Å; Y477-Y482 AromaticContact CD1-CG 3.63Å; Y477-Y482 HydrophobicContact CD1-CG 3.63Å; Y477-Y482 HydrophobicContact CE1-CD1 4.08Å; Y477-Y482 HydrophobicContact CE1-CG 4.07Å; Y477-Y482 HydrophobicContact CG-CD2 4.45Å
478	K	94.3	Very high	94.5	Very high	159 Å²	159	64 Å²	64	69%	0.691	33%	0.325	S	S	*	.			trans	-83.8	-179.2	171.5	-58.3	-179	-179.8	175.9	0	110.3	P274 D480 Y482	P274-K478 WeakPolarHBondContact CA-O 3.42Å; P274-K478 WeakPolarHBondContact CB-O 3.47Å; K478-D480 PolarHBondContact O-N 3.19Å; K478-Y482 WeakPolarHBondContact CB-OH 3.49Å; K478-Y482 PolarHBondContact N-OH 3.43Å; K478-Y482 WeakPolarHBondContact O-CE2 3.44Å
479	Q	94.2	Very high	94.5	Very high	123 Å²	123	63.7 Å²	63.7	58%	0.575	32%	0.324	S	S	*	.	S	Bend	trans	-74.7	65.2	178.5	-58.6	176.6	-16.8	0	0	111.6	L271 C272	L271-Q479 WeakPolarHBondContact O-CB 3.26Å; C272-Q479 WeakPolarHBondContact O-CG 3.49Å; C272-Q479 PolarHBondContact O-NE2 3.08Å
480	D	96.6	Very high	94.5	Very high	65 Å²	65	65.4 Å²	65.4	35%	0.348	33%	0.332	S	S	.	.	S	Bend	trans	-146.3	176.1	-177.1	-152.1	-10.8	0	0	0	110.8	S266 A275 K478 Y482	S266-D480 WeakPolarHBondContact CB-OD1 3.48Å; S266-D480 PolarHBondContact OG-OD1 3.43Å; A275-D480 PolarHBondContact N-O 2.94Å; K478-D480 PolarHBondContact O-N 3.19Å; D480-Y482 HydrophobicContact CB-CE2 3.88Å; D480-Y482 WeakPolarHBondContact O-CD2 3.28Å; D480-Y482 WeakPolarHBondContact O-CE2 3.46Å
481	V	97.5	Very high	94.4	Very high	14 Å²	14	66 Å²	66	9%	0.085	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.9	179.8	-173.6	0	0	0	0	109.8	L262 Y263 L271 A275 N277	L262-V481 HydrophobicContact CB-CG2 3.8Å; Y263-V481 HydrophobicContact CD1-CB 3.91Å; Y263-V481 HydrophobicContact CD1-CG1 4.34Å; Y263-V481 HydrophobicContact CD1-CG2 3.96Å; Y263-V481 HydrophobicContact CE1-CB 3.55Å; Y263-V481 HydrophobicContact CE1-CG1 3.79Å; Y263-V481 HydrophobicContact CE1-CG2 4.14Å; Y263-V481 HydrophobicContact CE2-CG1 4.3Å; Y263-V481 HydrophobicContact CG-CG2 4.48Å; L271-V481 HydrophobicContact CD2-CG2 3.99Å; A275-V481 HydrophobicContact CB-CG2 4.43Å; A275-V481 CarbonylContact O-C 3.58Å; A275-V481 WeakPolarHBondContact O-CA 3.46Å; N277-V481 HydrophobicContact CB-CG1 3.83Å
482	Y	96.3	Very high	94.5	Very high	61 Å²	61	62.1 Å²	62.1	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.9	-177.6	-63.1	-95.1	0	0	0	111.2	A275 M276 N277 Y477 K478 D480	A275-Y482 PolarHBondContact O-N 3.23Å; M276-Y482 WeakPolarHBondContact CA-O 3.41Å; N277-Y482 WeakPolarHBondContact CB-O 3.48Å; N277-Y482 PolarHBondContact N-O 3.3Å; Y477-Y482 AromaticContact CD1-CD1 3.72Å; Y477-Y482 HydrophobicContact CD1-CD1 3.72Å; Y477-Y482 AromaticContact CD1-CD2 3.76Å; Y477-Y482 HydrophobicContact CD1-CD2 3.76Å; Y477-Y482 AromaticContact CD1-CE1 3.94Å; Y477-Y482 HydrophobicContact CD1-CE1 3.94Å; Y477-Y482 HydrophobicContact CD1-CE2 4.02Å; Y477-Y482 AromaticContact CD1-CG 3.63Å; Y477-Y482 HydrophobicContact CD1-CG 3.63Å; Y477-Y482 HydrophobicContact CE1-CD1 4.08Å; Y477-Y482 HydrophobicContact CE1-CG 4.07Å; Y477-Y482 HydrophobicContact CG-CD2 4.45Å; K478-Y482 WeakPolarHBondContact CB-OH 3.49Å; K478-Y482 PolarHBondContact N-OH 3.43Å; K478-Y482 WeakPolarHBondContact O-CE2 3.44Å; D480-Y482 HydrophobicContact CB-CE2 3.88Å; D480-Y482 WeakPolarHBondContact O-CD2 3.28Å; D480-Y482 WeakPolarHBondContact O-CE2 3.46Å
483	L	94.1	Very high	94.6	Very high	98 Å²	98	62.6 Å²	62.6	51%	0.513	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	150.7	164.4	-63.4	177.5	0	0	0	109.8	M276 N277 D280	M276-L483 VanDerWaalsContact SD-C 3.57Å; N277-L483 HydrophobicContact CB-CD2 4.3Å; D280-L483 HydrophobicContact CB-CD2 3.63Å
484	L	92.6	Very high	94.7	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.042	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.2	135.2	170.3	-172.6	71.4	0	0	0	109.5	M276 S281 T461 A465 K486 M488	M276-L484 HydrophobicContact CG-CB 4.48Å; M276-L484 HydrophobicContact CG-CD1 4.43Å; S281-L484 WeakPolarHBondContact OG-CB 3.43Å; T461-L484 HydrophobicContact CG2-CD2 3.63Å; A465-L484 HydrophobicContact CB-CD1 4.02Å; L484-K486 PolarHBondContact O-N 3.11Å; L484-M488 HydrophobicContact CD1-CB 4.21Å; L484-M488 HydrophobicContact CD1-CE 4.22Å; L484-M488 HydrophobicContact CD1-SD 4.06Å; L484-M488 HydrophobicContact CD2-CB 4.03Å; L484-M488 HydrophobicContact CG-CB 3.97Å
485	P	93.8	Very high	95	Very high	36 Å²	36	51.4 Å²	51.4	23%	0.234	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-54.6	130.5	175.9	-26.8	35.3	0	0	0	111	E468 K487 M488 D489	E468-P485 HydrophobicContact CG-CG 4.49Å; P485-K487 PolarHBondContact O-N 3.35Å; P485-M488 HydrophobicContact CB-CG 4.26Å; P485-M488 HydrophobicContact CB-SD 4.31Å; P485-M488 HydrophobicContact CG-SD 4.01Å; P485-M488 WeakPolarHBondContact O-CA 3.34Å; P485-M488 WeakPolarHBondContact O-CB 3.48Å; P485-M488 PolarHBondContact O-N 3.3Å; P485-D489 PolarHBondContact O-N 2.89Å
486	K	94.3	Very high	95.3	Very high	27 Å²	27	48.7 Å²	48.7	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-53.7	-36.4	-173.6	-173.6	179.4	-65.5	-68.5	0	113.8	L484 M488 D489 E490 P522 K524 P525	L484-K486 PolarHBondContact O-N 3.11Å; K486-M488 PolarHBondContact O-N 3.09Å; K486-D489 VanDerWaalsContact O-CB 3.22Å; K486-D489 WeakPolarHBondContact O-CB 3.33Å; K486-D489 PolarHBondContact O-N 3.2Å; K486-D489 VanDerWaalsContact O-N 3.15Å; K486-E490 WeakPolarHBondContact O-CG 3.46Å; K486-E490 PolarHBondContact O-N 2.98Å; K486-P522 HydrophobicContact CB-CB 4.24Å; K486-P522 HydrophobicContact CD-CB 3.95Å; K486-P522 HydrophobicContact CG-CB 4.14Å; K486-K524 HydrophobicContact CD-CB 4.24Å; K486-K524 WeakPolarHBondContact CD-O 3.37Å; K486-K524 WeakPolarHBondContact CE-O 3.49Å; K486-P525 WeakPolarHBondContact CE-O 3.3Å; K486-P525 PolarHBondContact NZ-O 3.17Å
487	K	94.3	Very high	95.4	Very high	74 Å²	74	45.2 Å²	45.2	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-33.7	176.4	-169.7	172.3	-176.9	172.4	0	112.7	P485 Y491 N520	P485-K487 PolarHBondContact O-N 3.35Å; K487-Y491 VanDerWaalsContact O-CB 3.29Å; K487-Y491 WeakPolarHBondContact O-CB 3.3Å; K487-Y491 PolarHBondContact O-N 3.39Å; K487-N520 WeakPolarHBondContact CE-O 3.43Å
488	M	95.1	Very high	95.3	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-73.7	-37.4	175.4	-61.2	-178.5	70	0	0	111.2	L464 E468 L484 P485 K486 Y491 V492	L464-M488 HydrophobicContact CB-CE 3.67Å; L464-M488 VanDerWaalsContact O-CE 3.22Å; L464-M488 WeakPolarHBondContact O-CE 3.28Å; E468-M488 HydrophobicContact CB-CE 3.76Å; E468-M488 HydrophobicContact CB-SD 3.88Å; E468-M488 HydrophobicContact CG-CE 4.49Å; E468-M488 HydrophobicContact CG-SD 3.94Å; L484-M488 HydrophobicContact CD1-CB 4.21Å; L484-M488 HydrophobicContact CD1-CE 4.22Å; L484-M488 HydrophobicContact CD1-SD 4.06Å; L484-M488 HydrophobicContact CD2-CB 4.03Å; L484-M488 HydrophobicContact CG-CB 3.97Å; P485-M488 HydrophobicContact CB-CG 4.26Å; P485-M488 HydrophobicContact CB-SD 4.31Å; P485-M488 HydrophobicContact CG-SD 4.01Å; P485-M488 WeakPolarHBondContact O-CA 3.34Å; P485-M488 WeakPolarHBondContact O-CB 3.48Å; P485-M488 PolarHBondContact O-N 3.3Å; K486-M488 PolarHBondContact O-N 3.09Å; M488-Y491 WeakPolarHBondContact O-CB 3.42Å; M488-Y491 PolarHBondContact O-N 3.13Å; M488-V492 WeakPolarHBondContact O-CG2 3.35Å; M488-V492 PolarHBondContact O-N 3.37Å
489	D	95.1	Very high	95.2	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.064	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-49.3	173	-144.4	-8.7	0	0	0	111	V282 T283 P485 K486 Y491 V492 A493	V282-D489 VanDerWaalsContact CB-OD2 3.27Å; V282-D489 WeakPolarHBondContact CB-OD2 3.14Å; V282-D489 PolarHBondContact N-OD1 2.88Å; V282-D489 PolarHBondContact N-OD2 3.48Å; T283-D489 WeakPolarHBondContact CB-OD1 3.3Å; T283-D489 VanDerWaalsContact CG2-O 3.24Å; T283-D489 WeakPolarHBondContact CG2-O 3.44Å; T283-D489 VanDerWaalsContact CG2-OD1 3.31Å; T283-D489 WeakPolarHBondContact CG2-OD1 2.97Å; T283-D489 PolarHBondContact N-OD1 2.98Å; T283-D489 PolarHBondContact OG1-OD1 3.49Å; P485-D489 PolarHBondContact O-N 2.89Å; K486-D489 VanDerWaalsContact O-CB 3.22Å; K486-D489 WeakPolarHBondContact O-CB 3.33Å; K486-D489 PolarHBondContact O-N 3.2Å; K486-D489 VanDerWaalsContact O-N 3.15Å; D489-Y491 VanDerWaalsContact C-N 3.29Å; D489-Y491 PolarHBondContact O-N 3.38Å; D489-V492 WeakPolarHBondContact O-CB 3.26Å; D489-V492 PolarHBondContact O-N 2.65Å; D489-A493 PolarHBondContact O-N 3.21Å; D489-A493 VanDerWaalsContact O-N 3.15Å
490	E	97.3	Very high	95.2	Very high	44 Å²	44	43.8 Å²	43.8	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-38	173.5	-70.6	172.3	177.4	0	0	112	K486 A493 S494 P522 F523	K486-E490 WeakPolarHBondContact O-CG 3.46Å; K486-E490 PolarHBondContact O-N 2.98Å; E490-A493 PolarHBondContact O-N 2.88Å; E490-S494 PolarHBondContact O-N 3.23Å; E490-P522 VanDerWaalsContact OE2-CA 3.31Å; E490-P522 WeakPolarHBondContact OE2-CA 3.49Å; E490-F523 PolarHBondContact OE1-N 3.33Å; E490-F523 WeakPolarHBondContact OE2-CD2 3.33Å
491	Y	95.8	Very high	95.1	Very high	43 Å²	43	46.6 Å²	46.6	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-41.6	176.4	-178.6	-121.7	0	0	0	112	R136 L464 K487 M488 D489 A493 S494 L495	R136-Y491 PolarHBondContact NH1-OH 3.28Å; R136-Y491 PolarHBondContact NH2-OH 3.25Å; R136-Y491 VanDerWaalsContact NH2-OH 3.09Å; L464-Y491 HydrophobicContact CD1-CD1 3.77Å; L464-Y491 HydrophobicContact CD1-CE1 4.25Å; L464-Y491 HydrophobicContact CD2-CE1 4.46Å; K487-Y491 VanDerWaalsContact O-CB 3.29Å; K487-Y491 WeakPolarHBondContact O-CB 3.3Å; K487-Y491 PolarHBondContact O-N 3.39Å; M488-Y491 WeakPolarHBondContact O-CB 3.42Å; M488-Y491 PolarHBondContact O-N 3.13Å; D489-Y491 VanDerWaalsContact C-N 3.29Å; D489-Y491 PolarHBondContact O-N 3.38Å; Y491-A493 VanDerWaalsContact C-N 3.31Å; Y491-A493 PolarHBondContact O-N 3.36Å; Y491-S494 WeakPolarHBondContact CA-OG 3.09Å; Y491-S494 WeakPolarHBondContact CD2-OG 3.37Å; Y491-S494 PolarHBondContact O-N 3.35Å; Y491-S494 PolarHBondContact O-OG 2.98Å; Y491-L495 HydrophobicContact CD1-CD1 4.23Å; Y491-L495 HydrophobicContact CD2-CG 4.48Å; Y491-L495 HydrophobicContact CE1-CD1 3.8Å; Y491-L495 HydrophobicContact CE1-CG 4.36Å; Y491-L495 HydrophobicContact CE2-CD1 4.43Å; Y491-L495 HydrophobicContact CE2-CD2 3.98Å; Y491-L495 HydrophobicContact CE2-CG 4.1Å; Y491-L495 WeakPolarHBondContact O-CG 3.39Å; Y491-L495 PolarHBondContact O-N 2.91Å; Y491-L495 VanDerWaalsContact O-N 3.09Å
492	V	96.8	Very high	95.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-54	-50.8	171.4	172.9	0	0	0	0	109.8	T283 I457 T460 L464 M488 D489 S494 L495 H496	T283-V492 HydrophobicContact CG2-CB 4.01Å; T283-V492 HydrophobicContact CG2-CG1 3.98Å; I457-V492 HydrophobicContact CG2-CG1 3.77Å; T460-V492 HydrophobicContact CG2-CG1 4.24Å; T460-V492 HydrophobicContact CG2-CG2 4.14Å; L464-V492 HydrophobicContact CD1-CG2 3.61Å; M488-V492 WeakPolarHBondContact O-CG2 3.35Å; M488-V492 PolarHBondContact O-N 3.37Å; D489-V492 WeakPolarHBondContact O-CB 3.26Å; D489-V492 PolarHBondContact O-N 2.65Å; V492-S494 VanDerWaalsContact C-N 3.33Å; V492-S494 PolarHBondContact O-N 3.4Å; V492-L495 PolarHBondContact O-N 3.28Å; V492-H496 PolarHBondContact O-ND1 3.24Å
493	A	96.8	Very high	95	Very high	34 Å²	34	52.3 Å²	52.3	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-46.4	179.2	0	0	0	0	0	111.4	T283 D489 E490 Y491 L495 H496 L497	T283-A493 HydrophobicContact CG2-CB 4.02Å; D489-A493 PolarHBondContact O-N 3.21Å; D489-A493 VanDerWaalsContact O-N 3.15Å; E490-A493 PolarHBondContact O-N 2.88Å; Y491-A493 VanDerWaalsContact C-N 3.31Å; Y491-A493 PolarHBondContact O-N 3.36Å; A493-L495 PolarHBondContact O-N 2.92Å; A493-H496 PolarHBondContact O-N 3.35Å; A493-L497 PolarHBondContact O-N 2.73Å
494	S	95.7	Very high	95.1	Very high	31 Å²	31	53.7 Å²	53.7	22%	0.217	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-34.1	179.9	79.4	0	0	0	0	113.6	E490 Y491 V492 H496 P498	E490-S494 PolarHBondContact O-N 3.23Å; Y491-S494 WeakPolarHBondContact CA-OG 3.09Å; Y491-S494 WeakPolarHBondContact CD2-OG 3.37Å; Y491-S494 PolarHBondContact O-N 3.35Å; Y491-S494 PolarHBondContact O-OG 2.98Å; V492-S494 VanDerWaalsContact C-N 3.33Å; V492-S494 PolarHBondContact O-N 3.4Å; S494-H496 PolarHBondContact O-N 3.02Å; S494-P498 WeakPolarHBondContact O-CD 3.2Å
495	L	95.3	Very high	95.3	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-69.7	-20.1	179.2	-69.8	173.6	0	0	0	113.3	A129 L133 T460 Y491 V492 A493	A129-L495 HydrophobicContact CB-CB 3.7Å; A129-L495 HydrophobicContact CB-CD1 4.47Å; L133-L495 HydrophobicContact CD2-CD1 4.35Å; T460-L495 HydrophobicContact CG2-CD1 3.95Å; Y491-L495 HydrophobicContact CD1-CD1 4.23Å; Y491-L495 HydrophobicContact CD2-CG 4.48Å; Y491-L495 HydrophobicContact CE1-CD1 3.8Å; Y491-L495 HydrophobicContact CE1-CG 4.36Å; Y491-L495 HydrophobicContact CE2-CD1 4.43Å; Y491-L495 HydrophobicContact CE2-CD2 3.98Å; Y491-L495 HydrophobicContact CE2-CG 4.1Å; Y491-L495 WeakPolarHBondContact O-CG 3.39Å; Y491-L495 PolarHBondContact O-N 2.91Å; Y491-L495 VanDerWaalsContact O-N 3.09Å; V492-L495 PolarHBondContact O-N 3.28Å; A493-L495 PolarHBondContact O-N 2.92Å
496	H	96.4	Very high	95.4	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.028	35%	0.349	C	S	.	.	H	α-helix	trans	-100.2	-20.4	-176.4	-68.2	84.2	0	0	0	113.2	A129 F453 S456 I457 V492 A493 S494 P498 S499	A129-H496 WeakPolarHBondContact CB-CE1 3.41Å; A129-H496 WeakPolarHBondContact CB-NE2 3.4Å; F453-H496 HydrophobicContact CZ-CB 3.87Å; S456-H496 VanDerWaalsContact C-NE2 3.32Å; S456-H496 WeakPolarHBondContact CB-NE2 3.49Å; S456-H496 PolarHBondContact O-NE2 3.26Å; S456-H496 PolarHBondContact OG-NE2 3Å; I457-H496 PolarHBondContact N-NE2 3.12Å; V492-H496 PolarHBondContact O-ND1 3.24Å; A493-H496 PolarHBondContact O-N 3.35Å; S494-H496 PolarHBondContact O-N 3.02Å; H496-P498 VanDerWaalsContact C-CD 3.44Å; H496-S499 WeakPolarHBondContact O-CB 3.41Å; H496-S499 PolarHBondContact O-N 3.23Å
497	L	95.6	Very high	95.5	Very high	49 Å²	49	65.8 Å²	65.8	26%	0.257	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-58.3	-37	-179.6	-71.3	179.3	0	0	0	115	A493 S499 F500 A502 L504	A493-L497 PolarHBondContact O-N 2.73Å; L497-S499 PolarHBondContact O-N 2.8Å; L497-S499 VanDerWaalsContact O-N 3.15Å; L497-F500 PolarHBondContact O-N 3.14Å; L497-A502 HydrophobicContact CB-CB 4.03Å; L497-A502 HydrophobicContact CD2-CB 4Å; L497-A502 PolarHBondContact O-N 3.32Å; L497-L504 HydrophobicContact CD1-CD1 3.57Å; L497-L504 HydrophobicContact CD1-CD2 3.58Å; L497-L504 HydrophobicContact CD1-CG 3.53Å
498	P	93.3	Very high	95.7	Very high	89 Å²	89	65.6 Å²	65.6	58%	0.578	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-58.6	-27.6	177.6	-27.7	36.7	0	0	0	114	S494 H496 F500 D501	S494-P498 WeakPolarHBondContact O-CD 3.2Å; H496-P498 VanDerWaalsContact C-CD 3.44Å; P498-F500 PolarHBondContact O-N 3.38Å; P498-F500 VanDerWaalsContact O-N 3.17Å; P498-D501 PolarHBondContact O-N 2.84Å; P498-D501 VanDerWaalsContact O-N 3.14Å
499	S	92.7	Very high	95.8	Very high	61 Å²	61	70.2 Å²	70.2	43%	0.427	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-64.9	-16.5	176.5	-59.1	0	0	0	0	113.3	S128 H496 L497	S128-S499 PolarHBondContact OG-OG 2.97Å; H496-S499 WeakPolarHBondContact O-CB 3.41Å; H496-S499 PolarHBondContact O-N 3.23Å; L497-S499 PolarHBondContact O-N 2.8Å; L497-S499 VanDerWaalsContact O-N 3.15Å
500	F	94.2	Very high	95.9	Very high	136 Å²	136	75.9 Å²	75.9	60%	0.596	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-108.5	9.2	177.4	-60.4	-68.2	0	0	0	113.5	F453 L497 P498 A502	F453-F500 HydrophobicContact CD1-CE2 4.47Å; F453-F500 HydrophobicContact CD1-CZ 4.03Å; F453-F500 AromaticContact CE1-CE2 3.39Å; F453-F500 HydrophobicContact CE1-CE2 3.39Å; F453-F500 AromaticContact CE1-CZ 3.34Å; F453-F500 HydrophobicContact CE1-CZ 3.34Å; F453-F500 HydrophobicContact CE2-CE2 4.12Å; F453-F500 HydrophobicContact CE2-CZ 4.16Å; F453-F500 HydrophobicContact CZ-CD2 4.12Å; F453-F500 AromaticContact CZ-CE2 3.15Å; F453-F500 HydrophobicContact CZ-CE2 3.15Å; F453-F500 AromaticContact CZ-CZ 3.41Å; F453-F500 HydrophobicContact CZ-CZ 3.41Å; F453-F500 VanDerWaalsContact CZ-CZ 3.41Å; L497-F500 PolarHBondContact O-N 3.14Å; P498-F500 PolarHBondContact O-N 3.38Å; P498-F500 VanDerWaalsContact O-N 3.17Å; F500-A502 HydrophobicContact CB-CB 4.37Å; F500-A502 PolarHBondContact O-N 3.35Å
501	D	95	Very high	96	Very high	124 Å²	124	78 Å²	78	66%	0.663	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	34.2	-170	-161.2	35.2	0	0	0	112.1	P498 H503	P498-D501 PolarHBondContact O-N 2.84Å; P498-D501 VanDerWaalsContact O-N 3.14Å; D501-H503 IonicContact OD1-CE1 3.38Å; D501-H503 IonicContact OD1-NE2 3.12Å
502	A	96.3	Very high	96.1	Very high	41 Å²	41	76.4 Å²	76.4	34%	0.339	42%	0.419	S	S	.	.			trans	-83.6	128.1	-177.7	0	0	0	0	0	110.8	L497 F500	L497-A502 HydrophobicContact CB-CB 4.03Å; L497-A502 HydrophobicContact CD2-CB 4Å; L497-A502 PolarHBondContact O-N 3.32Å; F500-A502 HydrophobicContact CB-CB 4.37Å; F500-A502 PolarHBondContact O-N 3.35Å
503	H	94.6	Very high	96.1	Very high	154 Å²	154	84.9 Å²	84.9	71%	0.713	46%	0.456	S	S	*	.			trans	-108.9	110.9	177.9	-55.2	-59.2	0	0	0	110.4	D501	D501-H503 IonicContact OD1-CE1 3.38Å; D501-H503 IonicContact OD1-NE2 3.12Å
504	L	96	Very high	96.2	Very high	126 Å²	126	92.9 Å²	92.9	66%	0.66	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-71.7	139.2	177.9	-72.1	178.9	0	0	0	111.2	L497	L497-L504 HydrophobicContact CD1-CD1 3.57Å; L497-L504 HydrophobicContact CD1-CD2 3.58Å; L497-L504 HydrophobicContact CD1-CG 3.53Å
505	T	97.1	Very high	96.2	Very high	137 Å²	137	95.9 Å²	95.9	84%	0.84	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-75.4	133.5	169	-59.9	0	0	0	0	109.8
506	E	96	Very high	96.2	Very high	148 Å²	148	98.4 Å²	98.4	69%	0.692	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-94.5	139.3	175.2	-64.1	-178.6	-175.3	0	0	110.9
507	L	96.1	Very high	96.2	Very high	41 Å²	41	101 Å²	101	22%	0.215	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-70.4	135.3	174.1	-66.5	175.1	0	0	0	110.5	Q511 A512 L515 K519 F523	L507-Q511 HydrophobicContact CB-CB 4.41Å; L507-Q511 HydrophobicContact CD2-CB 4.04Å; L507-A512 HydrophobicContact CB-CB 4.41Å; L507-A512 HydrophobicContact CD1-CB 4.5Å; L507-L515 HydrophobicContact CD2-CD1 4.42Å; L507-K519 HydrophobicContact CB-CG 4.36Å; L507-K519 WeakPolarHBondContact O-CE 3.41Å; L507-F523 HydrophobicContact CD1-CD1 4.42Å; L507-F523 HydrophobicContact CD1-CE1 4.25Å
508	T	97.6	Very high	96.2	Very high	70 Å²	70	103.3 Å²	103.3	43%	0.429	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-69.7	163.6	164.3	71.4	0	0	0	0	110.6	D510 Q511 A512 K519	T508-D510 VanDerWaalsContact C-N 3.25Å; T508-D510 PolarHBondContact O-N 3.44Å; T508-Q511 PolarHBondContact O-N 3.13Å; T508-Q511 WeakPolarHBondContact OG1-CG 3.44Å; T508-Q511 PolarHBondContact OG1-N 3.01Å; T508-A512 PolarHBondContact O-N 2.92Å; T508-K519 WeakPolarHBondContact O-CE 3.44Å
509	D	97.9	Very high	96.2	Very high	114 Å²	114	102.3 Å²	102.3	61%	0.61	54%	0.536	S	S	*	.	H	α-helix	trans	-59.8	-39.8	177	-67.7	-64.2	0	0	0	111.6	A512 K513 K519	D509-A512 PolarHBondContact O-N 3.26Å; D509-K513 WeakPolarHBondContact O-CB 3.24Å; D509-K513 PolarHBondContact O-N 3.23Å; D509-K519 VanDerWaalsContact CA-CE 3.4Å; D509-K519 VanDerWaalsContact CG-CE 3.46Å; D509-K519 WeakPolarHBondContact OD1-CE 3.38Å; D509-K519 IonicContact OD1-NZ 3.76Å; D509-K519 PolarHBondContact OD1-NZ 3.4Å; D509-K519 IonicContact OD2-NZ 3.28Å; D509-K519 PolarHBondContact OD2-NZ 3.24Å
510	D	98.3	Very high	96.3	Very high	131 Å²	131	102 Å²	102	70%	0.701	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-41.2	178	-67.3	-23	0	0	0	112	T508 Y514	T508-D510 VanDerWaalsContact C-N 3.25Å; T508-D510 PolarHBondContact O-N 3.44Å; D510-Y514 VanDerWaalsContact O-CB 3.29Å; D510-Y514 WeakPolarHBondContact O-CB 3.01Å; D510-Y514 PolarHBondContact O-N 2.76Å
511	Q	98.3	Very high	96.3	Very high	89 Å²	89	95.8 Å²	95.8	42%	0.416	50%	0.503	S	S	.	.	H	α-helix	trans	-66	-44.9	176.5	-72.8	170.8	-23.1	0	0	112	L507 T508 K513 Y514 L515	L507-Q511 HydrophobicContact CB-CB 4.41Å; L507-Q511 HydrophobicContact CD2-CB 4.04Å; T508-Q511 PolarHBondContact O-N 3.13Å; T508-Q511 WeakPolarHBondContact OG1-CG 3.44Å; T508-Q511 PolarHBondContact OG1-N 3.01Å; Q511-K513 VanDerWaalsContact C-N 3.35Å; Q511-K513 PolarHBondContact O-N 3.21Å; Q511-Y514 PolarHBondContact O-N 3.24Å; Q511-L515 WeakPolarHBondContact O-CG 3.39Å; Q511-L515 PolarHBondContact O-N 3.31Å
512	A	97.7	Very high	96.3	Very high	8 Å²	8	92.6 Å²	92.6	7%	0.066	49%	0.49	C	S	.	.	H	α-helix	trans	-61.5	-44.1	178.1	0	0	0	0	0	111.3	L507 T508 D509 L515 G516 L517 K519	L507-A512 HydrophobicContact CB-CB 4.41Å; L507-A512 HydrophobicContact CD1-CB 4.5Å; T508-A512 PolarHBondContact O-N 2.92Å; D509-A512 PolarHBondContact O-N 3.26Å; A512-L515 PolarHBondContact O-N 3.21Å; A512-G516 PolarHBondContact O-N 3.32Å; A512-L517 PolarHBondContact O-N 2.5Å; A512-K519 HydrophobicContact CB-CG 3.68Å
513	K	97.4	Very high	96.3	Very high	178 Å²	178	94.4 Å²	94.4	77%	0.774	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-43.5	174.8	-175	179.5	178.9	-178.1	0	112.2	D509 Q511 L515 G516	D509-K513 WeakPolarHBondContact O-CB 3.24Å; D509-K513 PolarHBondContact O-N 3.23Å; Q511-K513 VanDerWaalsContact C-N 3.35Å; Q511-K513 PolarHBondContact O-N 3.21Å; K513-L515 VanDerWaalsContact C-N 3.34Å; K513-L515 PolarHBondContact O-N 2.92Å; K513-G516 PolarHBondContact O-N 3.43Å
514	Y	97.8	Very high	96.5	Very high	203 Å²	203	91.2 Å²	91.2	80%	0.796	47%	0.474	S	S	*	.	H	α-helix	trans	-61.4	-41.2	178.5	177.8	-97.7	0	0	0	112.3	D510 Q511 G516	D510-Y514 VanDerWaalsContact O-CB 3.29Å; D510-Y514 WeakPolarHBondContact O-CB 3.01Å; D510-Y514 PolarHBondContact O-N 2.76Å; Q511-Y514 PolarHBondContact O-N 3.24Å; Y514-G516 VanDerWaalsContact C-N 3.34Å
515	L	96.7	Very high	96.4	Very high	94 Å²	94	87.7 Å²	87.7	49%	0.492	46%	0.459	S	S	.	.	H	α-helix	trans	-81.6	-12.8	178.9	-65.3	174.8	0	0	0	113.5	L507 Q511 A512 K513 L517	L507-L515 HydrophobicContact CD2-CD1 4.42Å; Q511-L515 WeakPolarHBondContact O-CG 3.39Å; Q511-L515 PolarHBondContact O-N 3.31Å; A512-L515 PolarHBondContact O-N 3.21Å; K513-L515 VanDerWaalsContact C-N 3.34Å; K513-L515 PolarHBondContact O-N 2.92Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 HydrophobicContact CB-CB 4.36Å; L515-L517 HydrophobicContact CB-CD1 3.89Å; L515-L517 HydrophobicContact CB-CG 3.88Å; L515-L517 HydrophobicContact CD1-CD1 4.15Å
516	G	96.1	Very high	96	Very high	67 Å²	67	87.9 Å²	87.9	69%	0.691	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	33.5	-172.5	0	0	0	0	0	112.9	A512 K513 Y514	A512-G516 PolarHBondContact O-N 3.32Å; K513-G516 PolarHBondContact O-N 3.43Å; Y514-G516 VanDerWaalsContact C-N 3.34Å
517	L	95.1	Very high	95.8	Very high	62 Å²	62	90.1 Å²	90.1	33%	0.325	46%	0.458	S	S	.	.			trans	-115.6	154.2	-176.5	-62.9	177.4	0	0	0	111.6	A512 L515	A512-L517 PolarHBondContact O-N 2.5Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 HydrophobicContact CB-CB 4.36Å; L515-L517 HydrophobicContact CB-CD1 3.89Å; L515-L517 HydrophobicContact CB-CG 3.88Å; L515-L517 HydrophobicContact CD1-CD1 4.15Å
518	N	95.2	Very high	95.8	Very high	97 Å²	97	93.1 Å²	93.1	52%	0.519	47%	0.467	S	S	.	.			trans	-74.6	138.4	164.5	-170.4	-49.1	0	0	0	109.4	N520 G521	N518-N520 PolarHBondContact O-N 3.27Å; N518-N520 VanDerWaalsContact O-N 3.14Å; N518-N520 PolarHBondContact OD1-N 3.14Å; N518-G521 PolarHBondContact O-N 3.42Å
519	K	95.1	Very high	95.5	Very high	68 Å²	68	100.5 Å²	100.5	30%	0.296	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28	176	-74.8	-173.6	167.5	-176.7	0	113.9	L507 T508 D509 A512 F523	L507-K519 HydrophobicContact CB-CG 4.36Å; L507-K519 WeakPolarHBondContact O-CE 3.41Å; T508-K519 WeakPolarHBondContact O-CE 3.44Å; D509-K519 VanDerWaalsContact CA-CE 3.4Å; D509-K519 VanDerWaalsContact CG-CE 3.46Å; D509-K519 WeakPolarHBondContact OD1-CE 3.38Å; D509-K519 IonicContact OD1-NZ 3.76Å; D509-K519 PolarHBondContact OD1-NZ 3.4Å; D509-K519 IonicContact OD2-NZ 3.28Å; D509-K519 PolarHBondContact OD2-NZ 3.24Å; A512-K519 HydrophobicContact CB-CG 3.68Å; K519-F523 VanDerWaalsContact O-CE1 3.26Å; K519-F523 WeakPolarHBondContact O-CE1 3.32Å; K519-F523 WeakPolarHBondContact O-CZ 3.47Å
520	N	93	Very high	94.6	Very high	55 Å²	55	98.5 Å²	98.5	29%	0.294	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	19.2	-178.6	-58.7	-18.6	0	0	0	112.3	M48 K487 N518	M48-N520 HydrophobicContact CG-CB 4.46Å; K487-N520 WeakPolarHBondContact CE-O 3.43Å; N518-N520 PolarHBondContact O-N 3.27Å; N518-N520 VanDerWaalsContact O-N 3.14Å; N518-N520 PolarHBondContact OD1-N 3.14Å
521	G	94.1	Very high	94.5	Very high	4 Å²	4	96.9 Å²	96.9	4%	0.041	46%	0.46	C	S	.	.	S	Bend	trans	74.3	-176.8	177.1	0	0	0	0	0	115.5	N518	N518-G521 PolarHBondContact O-N 3.42Å
522	P	96.1	Very high	94.3	Very high	58 Å²	58	97.3 Å²	97.3	38%	0.377	46%	0.463	S	S	.	.			cis	-65.7	142.2	3.5	26.8	-34	0	0	0	113.2	K486 E490	K486-P522 HydrophobicContact CB-CB 4.24Å; K486-P522 HydrophobicContact CD-CB 3.95Å; K486-P522 HydrophobicContact CG-CB 4.14Å; E490-P522 VanDerWaalsContact OE2-CA 3.31Å; E490-P522 WeakPolarHBondContact OE2-CA 3.49Å
523	F	96.9	Very high	94.1	Very high	78 Å²	78	102.3 Å²	102.3	34%	0.342	49%	0.485	S	S	.	.			trans	-88.4	-7.5	-172.5	-62.5	-67.7	0	0	0	114.1	E490 L507 K519	E490-F523 PolarHBondContact OE1-N 3.33Å; E490-F523 WeakPolarHBondContact OE2-CD2 3.33Å; L507-F523 HydrophobicContact CD1-CD1 4.42Å; L507-F523 HydrophobicContact CD1-CE1 4.25Å; K519-F523 VanDerWaalsContact O-CE1 3.26Å; K519-F523 WeakPolarHBondContact O-CE1 3.32Å; K519-F523 WeakPolarHBondContact O-CZ 3.47Å
524	K	97	Very high	93.9	Very high	87 Å²	87	97.8 Å²	97.8	38%	0.378	47%	0.468	S	S	.	.	S	Bend	trans	-139.5	149.1	-176.1	-63.3	-67.3	-179.5	-63.7	0	111	K486 Y528	K486-K524 HydrophobicContact CD-CB 4.24Å; K486-K524 WeakPolarHBondContact CD-O 3.37Å; K486-K524 WeakPolarHBondContact CE-O 3.49Å; K524-Y528 HydrophobicContact CB-CD1 3.4Å; K524-Y528 HydrophobicContact CB-CE1 4.09Å; K524-Y528 HydrophobicContact CB-CG 3.93Å; K524-Y528 HydrophobicContact CD-CD1 3.46Å; K524-Y528 VanDerWaalsContact CD-CD1 3.46Å; K524-Y528 HydrophobicContact CD-CD2 4.43Å; K524-Y528 HydrophobicContact CD-CE1 3.29Å; K524-Y528 HydrophobicContact CD-CE2 4.42Å; K524-Y528 HydrophobicContact CD-CG 4.03Å; K524-Y528 VanDerWaalsContact CE-CE1 3.48Å; K524-Y528 HydrophobicContact CG-CD1 3.27Å; K524-Y528 HydrophobicContact CG-CE1 3.41Å; K524-Y528 VanDerWaalsContact CG-CE1 3.41Å; K524-Y528 HydrophobicContact CG-CG 4.13Å
525	P	93.8	Very high	93.6	Very high	52 Å²	52	91.3 Å²	91.3	34%	0.338	45%	0.447	S	S	.	.			trans	-70	162	174.7	29.9	-34.7	0	0	0	111.6	K486 Y527 Y528	K486-P525 WeakPolarHBondContact CE-O 3.3Å; K486-P525 PolarHBondContact NZ-O 3.17Å; P525-Y527 VanDerWaalsContact C-N 3.28Å; P525-Y527 HydrophobicContact CB-CD1 3.98Å; P525-Y527 HydrophobicContact CB-CE1 3.54Å; P525-Y527 HydrophobicContact CB-CE2 4.12Å; P525-Y527 HydrophobicContact CB-CG 4.46Å; P525-Y527 HydrophobicContact CG-CD1 4.4Å; P525-Y527 HydrophobicContact CG-CD2 4.09Å; P525-Y527 HydrophobicContact CG-CE1 3.87Å; P525-Y527 HydrophobicContact CG-CE2 3.5Å; P525-Y527 HydrophobicContact CG-CG 4.5Å; P525-Y527 PolarHBondContact O-N 3.35Å; P525-Y528 WeakPolarHBondContact O-CB 3.49Å; P525-Y528 PolarHBondContact O-N 3.25Å; P525-Y528 VanDerWaalsContact O-N 3.09Å
526	N	90.5	Very high	93.4	Very high	141 Å²	141	91.1 Å²	91.1	75%	0.754	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.2	-176	-71.2	-21.9	0	0	0	113.9	Y528	N526-Y528 PolarHBondContact O-N 3.5Å
527	Y	91.2	Very high	93.2	Very high	195 Å²	195	92.8 Å²	92.8	77%	0.765	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.5	178.8	58.3	-104.7	0	0	0	114	P525 R529	P525-Y527 VanDerWaalsContact C-N 3.28Å; P525-Y527 HydrophobicContact CB-CD1 3.98Å; P525-Y527 HydrophobicContact CB-CE1 3.54Å; P525-Y527 HydrophobicContact CB-CE2 4.12Å; P525-Y527 HydrophobicContact CB-CG 4.46Å; P525-Y527 HydrophobicContact CG-CD1 4.4Å; P525-Y527 HydrophobicContact CG-CD2 4.09Å; P525-Y527 HydrophobicContact CG-CE1 3.87Å; P525-Y527 HydrophobicContact CG-CE2 3.5Å; P525-Y527 HydrophobicContact CG-CG 4.5Å; P525-Y527 PolarHBondContact O-N 3.35Å; Y527-R529 PolarHBondContact O-N 3.39Å
528	Y	95.6	Very high	93.1	Very high	104 Å²	104	95.2 Å²	95.2	41%	0.408	43%	0.434	S	S	.	.			trans	-69.8	126.8	-179.7	-170.8	-124.4	0	0	0	110.4	K524 P525 N526 Y530	K524-Y528 HydrophobicContact CB-CD1 3.4Å; K524-Y528 HydrophobicContact CB-CE1 4.09Å; K524-Y528 HydrophobicContact CB-CG 3.93Å; K524-Y528 HydrophobicContact CD-CD1 3.46Å; K524-Y528 VanDerWaalsContact CD-CD1 3.46Å; K524-Y528 HydrophobicContact CD-CD2 4.43Å; K524-Y528 HydrophobicContact CD-CE1 3.29Å; K524-Y528 HydrophobicContact CD-CE2 4.42Å; K524-Y528 HydrophobicContact CD-CG 4.03Å; K524-Y528 VanDerWaalsContact CE-CE1 3.48Å; K524-Y528 HydrophobicContact CG-CD1 3.27Å; K524-Y528 HydrophobicContact CG-CE1 3.41Å; K524-Y528 VanDerWaalsContact CG-CE1 3.41Å; K524-Y528 HydrophobicContact CG-CG 4.13Å; P525-Y528 WeakPolarHBondContact O-CB 3.49Å; P525-Y528 PolarHBondContact O-N 3.25Å; P525-Y528 VanDerWaalsContact O-N 3.09Å; N526-Y528 PolarHBondContact O-N 3.5Å; Y528-Y530 VanDerWaalsContact C-N 3.27Å; Y528-Y530 WeakPolarHBondContact CD1-O 3.4Å; Y528-Y530 WeakPolarHBondContact CD1-OXT 2.98Å; Y528-Y530 WeakPolarHBondContact CE1-O 3.41Å; Y528-Y530 WeakPolarHBondContact CE1-OXT 3.43Å; Y528-Y530 PolarHBondContact O-N 3.4Å; Y528-Y530 VanDerWaalsContact O-N 3.13Å; Y528-Y530 PolarHBondContact OH-O 3.43Å
529	R	91.7	Very high	92.9	Very high	226 Å²	226	95 Å²	95	85%	0.853	43%	0.427	S	S	*	.			trans	-89	65.5	-180	-59.3	-173.2	-175.8	102.9	-0.9	109.6	Y527	Y527-R529 PolarHBondContact O-N 3.39Å
530	Y	79.9	Confident	92.7	Very high	72 Å²	72	97.5 Å²	97.5	28%	0.282	44%	0.439	S	S	.	.			trans	96	0	179	-64	-86.6	0	0	0	117.8	V282 Q285 K286 Y528	V282-Y530 HydrophobicContact CB-CD1 3.68Å; V282-Y530 HydrophobicContact CB-CE1 3.35Å; V282-Y530 HydrophobicContact CG1-CD1 3.13Å; V282-Y530 HydrophobicContact CG1-CE1 3.26Å; V282-Y530 HydrophobicContact CG1-CG 4.33Å; V282-Y530 HydrophobicContact CG2-CD1 3.62Å; V282-Y530 HydrophobicContact CG2-CE1 3.43Å; V282-Y530 VanDerWaalsContact CG2-CE1 3.43Å; V282-Y530 HydrophobicContact CG2-CG 4.35Å; V282-Y530 VanDerWaalsContact O-CE1 3.32Å; V282-Y530 WeakPolarHBondContact O-CE1 3.44Å; Q285-Y530 WeakPolarHBondContact CB-OH 3.43Å; Q285-Y530 VanDerWaalsContact CD-OH 3.24Å; Q285-Y530 WeakPolarHBondContact CG-OH 3.37Å; Q285-Y530 PolarHBondContact OE1-OH 2.91Å; K286-Y530 HydrophobicContact CB-CD1 3.81Å; K286-Y530 HydrophobicContact CB-CE1 3.45Å; K286-Y530 VanDerWaalsContact CB-CE1 3.45Å; K286-Y530 HydrophobicContact CD-CD1 4.36Å; K286-Y530 HydrophobicContact CD-CD2 4.04Å; K286-Y530 HydrophobicContact CD-CE1 4.16Å; K286-Y530 HydrophobicContact CD-CE2 3.95Å; K286-Y530 HydrophobicContact CD-CG 4.29Å; K286-Y530 HydrophobicContact CG-CD1 3.21Å; K286-Y530 HydrophobicContact CG-CD2 3.65Å; K286-Y530 HydrophobicContact CG-CE1 2.89Å; K286-Y530 HydrophobicContact CG-CE2 3.48Å; K286-Y530 VanDerWaalsContact CG-CE2 3.48Å; K286-Y530 HydrophobicContact CG-CG 3.56Å; Y528-Y530 VanDerWaalsContact C-N 3.27Å; Y528-Y530 WeakPolarHBondContact CD1-O 3.4Å; Y528-Y530 WeakPolarHBondContact CD1-OXT 2.98Å; Y528-Y530 WeakPolarHBondContact CE1-O 3.41Å; Y528-Y530 WeakPolarHBondContact CE1-OXT 3.43Å; Y528-Y530 PolarHBondContact O-N 3.4Å; Y528-Y530 VanDerWaalsContact O-N 3.13Å; Y528-Y530 PolarHBondContact OH-O 3.43Å

Retrieved 530 of 530 residues in 519.7 ms (Link to these results)

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