A0A060X9F1_ONCMY Loading...

Hydroxyacid-oxoacid transhydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A060X9F1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 464 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56	Low	65.4	Low	239 Å²	239	127.3 Å²	127.3	100%	1.177	65%	0.645	S	S	*	*				0	66.7	0	-72.8	178.5	-100.9	0	0	110.2
2	A	56.2	Low	65.7	Low	76 Å²	76	130.7 Å²	130.7	63%	0.628	64%	0.644	S	S	*	*			trans	-137.7	-7.6	-179.9	0	0	0	0	0	114
3	G	59.3	Low	66	Low	47 Å²	47	129.7 Å²	129.7	49%	0.485	64%	0.637	S	S	.	*	H	α-helix	trans	-87.1	-31.7	175.6	0	0	0	0	0	113.9	I7	G3-I7 WeakPolarHBondContact O-CG1 3.36Å; G3-I7 PolarHBondContact O-N 2.98Å
4	R	59	Low	65.9	Low	215 Å²	215	127.7 Å²	127.7	81%	0.811	63%	0.63	S	S	*	*	H	α-helix	trans	-69.8	-39.6	-178.1	-101.9	179.9	166.1	151.3	-3.3	112.6	I7 V8	R4-I7 PolarHBondContact O-N 3.42Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.22Å; R4-V8 PolarHBondContact O-N 2.85Å
5	D	66.5	Low	65.2	Low	119 Å²	119	128.9 Å²	128.9	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-70.9	-33.3	-179.6	-64.6	-31.3	0	0	0	112.9	H9	D5-H9 VanDerWaalsContact O-CB 3.28Å; D5-H9 WeakPolarHBondContact O-CB 2.9Å; D5-H9 PolarHBondContact O-N 3.31Å
6	R	67.6	Low	64.4	Low	206 Å²	206	132.3 Å²	132.3	78%	0.777	64%	0.643	S	S	*	*	H	α-helix	trans	-67	-39.1	173.3	-83	-175.2	173.3	-169.9	-1.1	112.4	H9 L10	R6-H9 PolarHBondContact O-N 3.41Å; R6-L10 WeakPolarHBondContact O-CB 3.37Å; R6-L10 PolarHBondContact O-N 3.3Å
7	I	69.8	Low	63.8	Low	105 Å²	105	128.6 Å²	128.6	54%	0.538	64%	0.639	S	S	.	*	H	α-helix	trans	-69.1	-42.4	177.2	-67.2	169.4	0	0	0	110.5	G3 R4 H9 L10 L11	G3-I7 WeakPolarHBondContact O-CG1 3.36Å; G3-I7 PolarHBondContact O-N 2.98Å; R4-I7 PolarHBondContact O-N 3.42Å; I7-H9 VanDerWaalsContact C-N 3.32Å; I7-H9 PolarHBondContact O-N 2.89Å; I7-L10 PolarHBondContact O-N 3.07Å; I7-L11 HydrophobicContact CG2-CD1 3.76Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 2.94Å
8	V	73.3	Confident	62.6	Low	66 Å²	66	126.1 Å²	126.1	40%	0.4	64%	0.642	S	S	.	*	H	α-helix	trans	-65.3	-36.9	176.5	173.1	0	0	0	0	111.5	R4 R12	R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.22Å; R4-V8 PolarHBondContact O-N 2.85Å; V8-R12 WeakPolarHBondContact O-CB 3.44Å; V8-R12 WeakPolarHBondContact O-CG 3.34Å; V8-R12 PolarHBondContact O-N 3.46Å
9	H	72.4	Confident	61.7	Low	116 Å²	116	125.6 Å²	125.6	54%	0.537	65%	0.65	S	S	.	*	H	α-helix	trans	-69.1	-39.3	175.3	-164.6	-49.6	0	0	0	112.3	D5 R6 I7 Q13	D5-H9 VanDerWaalsContact O-CB 3.28Å; D5-H9 WeakPolarHBondContact O-CB 2.9Å; D5-H9 PolarHBondContact O-N 3.31Å; R6-H9 PolarHBondContact O-N 3.41Å; I7-H9 VanDerWaalsContact C-N 3.32Å; I7-H9 PolarHBondContact O-N 2.89Å; H9-Q13 PolarHBondContact O-N 3.06Å; H9-Q13 VanDerWaalsContact O-N 3.14Å
10	L	68.9	Low	60.8	Low	107 Å²	107	130.4 Å²	130.4	56%	0.56	66%	0.659	S	S	*	*	H	α-helix	trans	-68.1	-43.2	176.8	-167	75.6	0	0	0	111.3	R6 I7 R12 Q13 L14	R6-L10 WeakPolarHBondContact O-CB 3.37Å; R6-L10 PolarHBondContact O-N 3.3Å; I7-L10 PolarHBondContact O-N 3.07Å; L10-R12 PolarHBondContact O-N 3.24Å; L10-Q13 PolarHBondContact O-N 3.37Å; L10-L14 HydrophobicContact CG-CD1 4.31Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.14Å
11	L	70.2	Confident	59.5	Low	104 Å²	104	129.4 Å²	129.4	55%	0.545	66%	0.663	S	S	.	*	H	α-helix	trans	-63.2	-42	176.8	-72.5	169.8	0	0	0	111.6	I7 Q13 L14 E15	I7-L11 HydrophobicContact CG2-CD1 3.76Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 2.94Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 2.97Å; L11-L14 PolarHBondContact O-N 2.77Å; L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.6Å
12	R	69.6	Low	59	Low	168 Å²	168	124.4 Å²	124.4	63%	0.634	65%	0.648	S	S	*	*	H	α-helix	trans	-64.8	-29.6	174.5	-79	179.6	175.9	178.8	0.4	113.7	V8 L10 K16	V8-R12 WeakPolarHBondContact O-CB 3.44Å; V8-R12 WeakPolarHBondContact O-CG 3.34Å; V8-R12 PolarHBondContact O-N 3.46Å; L10-R12 PolarHBondContact O-N 3.24Å; R12-K16 WeakPolarHBondContact O-CG 3.41Å; R12-K16 PolarHBondContact O-N 2.98Å
13	Q	69.2	Low	58.2	Low	118 Å²	118	123.9 Å²	123.9	55%	0.551	64%	0.644	S	S	*	*	H	α-helix	trans	-76.6	-37.2	174	-77.5	-158	-21.5	0	0	112.1	H9 L10 L11 K16 A17	H9-Q13 PolarHBondContact O-N 3.06Å; H9-Q13 VanDerWaalsContact O-N 3.14Å; L10-Q13 PolarHBondContact O-N 3.37Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 2.97Å; Q13-K16 PolarHBondContact O-N 2.68Å; Q13-A17 WeakPolarHBondContact O-CB 3.48Å; Q13-A17 PolarHBondContact O-N 3.15Å
14	L	64.3	Low	57.6	Low	102 Å²	102	130.4 Å²	130.4	53%	0.534	66%	0.661	S	S	.	*	H	α-helix	trans	-67.2	-37.6	173.8	-70.6	168.3	0	0	0	111.8	L10 L11 K16 A17 A18	L10-L14 HydrophobicContact CG-CD1 4.31Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 2.77Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 2.81Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 PolarHBondContact O-N 3.1Å; L14-A17 VanDerWaalsContact O-N 3.14Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.3Å; L14-A18 PolarHBondContact O-N 2.93Å
15	E	55.9	Low	56.4	Low	145 Å²	145	124.8 Å²	124.8	68%	0.678	66%	0.655	S	S	*	*	H	α-helix	trans	-65.9	-35.7	175.4	-138	174.2	-168.8	0	0	112.2	L11 A17	L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.6Å; E15-A17 VanDerWaalsContact C-N 3.34Å
16	K	53	Low	55.3	Low	183 Å²	183	128.1 Å²	128.1	80%	0.796	67%	0.666	S	S	*	*	H	α-helix	trans	-71.2	-27.6	171.5	-78.1	-178.4	176.6	-176.4	0	113.2	R12 Q13 L14	R12-K16 WeakPolarHBondContact O-CG 3.41Å; R12-K16 PolarHBondContact O-N 2.98Å; Q13-K16 PolarHBondContact O-N 2.68Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 2.81Å
17	A	53	Low	53.6	Low	70 Å²	70	122.8 Å²	122.8	58%	0.579	66%	0.657	S	S	*	*	H	α-helix	trans	-85.2	-26.4	177.6	0	0	0	0	0	113.1	Q13 L14 E15 C19	Q13-A17 WeakPolarHBondContact O-CB 3.48Å; Q13-A17 PolarHBondContact O-N 3.15Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 PolarHBondContact O-N 3.1Å; L14-A17 VanDerWaalsContact O-N 3.14Å; E15-A17 VanDerWaalsContact C-N 3.34Å; A17-C19 VanDerWaalsContact C-N 3.33Å; A17-C19 PolarHBondContact O-N 3.48Å
18	A	43.4	Very low	52	Low	84 Å²	84	128 Å²	128	69%	0.694	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-7.8	-173.8	0	0	0	0	0	115	L14	L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.3Å; L14-A18 PolarHBondContact O-N 2.93Å
19	C	44.8	Very low	50.2	Low	116 Å²	116	132.7 Å²	132.7	78%	0.784	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	30.6	177.9	-77.2	0	0	0	0	114.5	A17	A17-C19 VanDerWaalsContact C-N 3.33Å; A17-C19 PolarHBondContact O-N 3.48Å
20	R	43.3	Very low	48.7	Very low	222 Å²	222	136.4 Å²	136.4	84%	0.838	71%	0.711	S	S	*	*			trans	-134.5	96.2	169	-68.8	-172	179.3	-169.6	-1.3	110.7
21	C	33.4	Very low	47.3	Very low	109 Å²	109	135.5 Å²	135.5	74%	0.736	72%	0.719	S	S	*	*			trans	-69.3	124.7	167.4	-159.5	0	0	0	0	109.1	A23	C21-A23 VanDerWaalsContact C-N 3.31Å; C21-A23 PolarHBondContact O-N 3.2Å
22	P	45.8	Very low	45.9	Very low	135 Å²	135	135.3 Å²	135.3	88%	0.877	73%	0.726	S	S	*	*	S	Bend	trans	-93	48.9	-175.5	37.3	-34.2	0	0	0	112.3
23	A	39.9	Very low	44.5	Very low	64 Å²	64	131 Å²	131	53%	0.529	73%	0.733	S	S	.	*	S	Bend	trans	-137.7	113.3	169	0	0	0	0	0	108.1	C21	C21-A23 VanDerWaalsContact C-N 3.31Å; C21-A23 PolarHBondContact O-N 3.2Å
24	H	45.8	Very low	43.3	Very low	184 Å²	184	133.6 Å²	133.6	85%	0.852	75%	0.745	S	S	*	*	S	Bend	trans	72.4	75.3	-179.9	-47.4	-72.5	0	0	0	116.4
25	S	35.4	Very low	42.6	Very low	97 Å²	97	136 Å²	136	68%	0.678	76%	0.759	S	S	*	*			trans	-144.1	101.2	143.7	52.2	0	0	0	0	110.4	T27	S25-T27 PolarHBondContact O-N 3.14Å
26	H	41.8	Very low	42.5	Very low	189 Å²	189	132.2 Å²	132.2	88%	0.875	75%	0.748	S	S	*	*			trans	-72.2	85	159.8	-75.9	-82.7	0	0	0	107.9
27	T	32.2	Very low	43.1	Very low	95 Å²	95	127 Å²	127	58%	0.583	75%	0.746	S	S	*	*			trans	-139.8	85.1	164.3	20.4	0	0	0	0	107.7	S25 H29	S25-T27 PolarHBondContact O-N 3.14Å; T27-H29 PolarHBondContact O-N 3.41Å
28	F	36	Very low	44.3	Very low	215 Å²	215	130.2 Å²	130.2	94%	0.943	74%	0.743	S	S	*	*			trans	-59.8	90.9	155.8	-92.9	-90.8	0	0	0	107.2	Q30	F28-Q30 PolarHBondContact O-N 3.23Å
29	H	35.3	Very low	46.5	Very low	164 Å²	164	134.8 Å²	134.8	76%	0.759	75%	0.747	S	S	*	*			trans	-66.7	112.2	156.5	-83.7	-66.7	0	0	0	106.4	T27 A31	T27-H29 PolarHBondContact O-N 3.41Å; H29-A31 PolarHBondContact O-N 3.12Å
30	Q	42.6	Very low	48.8	Very low	194 Å²	194	131.9 Å²	131.9	91%	0.907	73%	0.726	S	S	*	*			trans	-53.6	94.3	156.8	-96.7	175.9	-21.9	0	0	106.8	F28 S32	F28-Q30 PolarHBondContact O-N 3.23Å; Q30-S32 PolarHBondContact O-N 2.85Å
31	A	39.4	Very low	51.2	Low	88 Å²	88	121.4 Å²	121.4	73%	0.727	69%	0.687	S	S	*	*			trans	-60.7	121.2	162.5	0	0	0	0	0	106	H29 G33	H29-A31 PolarHBondContact O-N 3.12Å; A31-G33 PolarHBondContact O-N 2.91Å; A31-G33 VanDerWaalsContact O-N 3.16Å
32	S	39.2	Very low	54.1	Low	100 Å²	100	122.3 Å²	122.3	70%	0.699	68%	0.675	S	S	*	*			trans	-48.1	122.5	168.3	41.3	0	0	0	0	108.1	Q30 H34	Q30-S32 PolarHBondContact O-N 2.85Å; S32-H34 PolarHBondContact O-N 3.17Å
33	G	41.9	Very low	56.4	Low	76 Å²	76	117.5 Å²	117.5	78%	0.784	65%	0.647	S	S	*	*			trans	-50.5	108.7	-178	0	0	0	0	0	109.6	A31 D35	A31-G33 PolarHBondContact O-N 2.91Å; A31-G33 VanDerWaalsContact O-N 3.16Å; G33-D35 VanDerWaalsContact C-N 3.34Å; G33-D35 PolarHBondContact O-N 2.73Å
34	H	44	Very low	59	Low	173 Å²	173	116.9 Å²	116.9	80%	0.801	63%	0.633	S	S	*	*			trans	-66.3	104.8	161.4	-90.5	26.1	0	0	0	105.5	S32 C36	S32-H34 PolarHBondContact O-N 3.17Å; H34-C36 PolarHBondContact O-N 3.2Å
35	D	49.6	Very low	61.3	Low	154 Å²	154	112.6 Å²	112.6	82%	0.824	61%	0.613	S	S	*	*			trans	-61.6	87.3	164.2	-171.8	20.6	0	0	0	106.9	G33 G37	G33-D35 VanDerWaalsContact C-N 3.34Å; G33-D35 PolarHBondContact O-N 2.73Å; D35-G37 VanDerWaalsContact C-N 3.26Å; D35-G37 PolarHBondContact O-N 2.95Å
36	C	53.4	Low	64	Low	65 Å²	65	110.6 Å²	110.6	44%	0.439	59%	0.593	S	S	.	*			trans	-65.8	97.6	168.6	-176.8	0	0	0	0	104.5	H34 R38	H34-C36 PolarHBondContact O-N 3.2Å; C36-R38 PolarHBondContact O-N 2.86Å
37	G	65.2	Low	66.4	Low	73 Å²	73	102.6 Å²	102.6	75%	0.753	56%	0.56	S	S	*	*			trans	-60.7	22.8	-176.4	0	0	0	0	0	116.2	D35	D35-G37 VanDerWaalsContact C-N 3.26Å; D35-G37 PolarHBondContact O-N 2.95Å
38	R	77	Confident	69.2	Low	138 Å²	138	100.6 Å²	100.6	52%	0.521	55%	0.55	S	S	.	.			trans	-80.7	121.3	169.6	-68.8	-176.1	177.5	172.8	-1.8	109.5	C36 Y42 C259	C36-R38 PolarHBondContact O-N 2.86Å; R38-Y42 VanDerWaalsContact NH1-CD1 3.27Å; R38-Y42 VanDerWaalsContact NH1-CD2 3.26Å; R38-C259 WeakPolarHBondContact O-CB 3.38Å
39	K	90	Very high	72	Confident	179 Å²	179	90.8 Å²	90.8	78%	0.778	51%	0.508	S	S	*	.	S	Bend	trans	-69.6	-40.6	176.5	-64.3	-176.1	178.4	-177.5	0	111.9	S257 P258 C259	K39-S257 PolarHBondContact O-OG 3.22Å; K39-P258 WeakPolarHBondContact O-CA 3.15Å; K39-C259 PolarHBondContact O-N 3.34Å; K39-C259 VanDerWaalsContact O-N 3.08Å
40	T	94.3	Very high	75	Confident	55 Å²	55	88.6 Å²	88.6	34%	0.337	50%	0.502	S	S	.	.	S	Bend	trans	-106.2	155.1	-178.6	63.2	0	0	0	0	111.8	N254 M255 R256 C259	T40-N254 VanDerWaalsContact CB-O 3.28Å; T40-N254 WeakPolarHBondContact CB-O 3.24Å; T40-N254 PolarHBondContact OG1-O 3.26Å; T40-M255 WeakPolarHBondContact CG2-O 3.32Å; T40-R256 CarbonylContact C-O 3.47Å; T40-R256 WeakPolarHBondContact CA-O 3.49Å; T40-R256 WeakPolarHBondContact CB-O 3.33Å; T40-C259 WeakPolarHBondContact O-CB 3.46Å
41	D	93.8	Very high	77.6	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.016	47%	0.473	C	S	.	.			trans	-60.5	153.1	173.6	-152	-24.5	0	0	0	110.3	A43 N254 R256 P260 R266	D41-A43 PolarHBondContact OD1-N 3.25Å; D41-A43 VanDerWaalsContact OD1-N 3.15Å; D41-A43 VanDerWaalsContact OD1-O 3.06Å; D41-N254 CarbonylContact O-C 3.5Å; D41-N254 VanDerWaalsContact O-CA 3.25Å; D41-N254 WeakPolarHBondContact O-CA 3.25Å; D41-R256 PolarHBondContact N-O 2.86Å; D41-R256 IonicContact OD2-CZ 3.42Å; D41-R256 IonicContact OD2-NE 3.25Å; D41-R256 IonicContact OD2-NH2 3.25Å; D41-R256 PolarHBondContact OD2-NH2 3.11Å; D41-P260 VanDerWaalsContact OD2-CD 3.31Å; D41-P260 WeakPolarHBondContact OD2-CD 3.4Å; D41-R266 IonicContact OD1-CZ 2.86Å; D41-R266 IonicContact OD1-NE 3.54Å; D41-R266 IonicContact OD1-NH2 3.02Å; D41-R266 PolarHBondContact OD1-NH2 3.03Å; D41-R266 IonicContact OD2-CZ 3.57Å; D41-R266 IonicContact OD2-NE 3.9Å; D41-R266 PolarHBondContact OD2-NE 3.33Å; D41-R266 IonicContact OD2-NH2 2.73Å; D41-R266 PolarHBondContact OD2-NH2 3.02Å
42	Y	93.1	Very high	80.4	Confident	127 Å²	127	81.1 Å²	81.1	50%	0.498	45%	0.45	S	S	.	.			trans	-124.3	-5.5	-179.5	66.8	-89.6	0	0	0	112.3	R38	R38-Y42 VanDerWaalsContact NH1-CD1 3.27Å; R38-Y42 VanDerWaalsContact NH1-CD2 3.26Å
43	A	94.7	Very high	83.2	Confident	34 Å²	34	81 Å²	81	28%	0.281	44%	0.435	S	S	.	.			trans	-142	147	-176.4	0	0	0	0	0	110.9	D41 R266	D41-A43 PolarHBondContact OD1-N 3.25Å; D41-A43 VanDerWaalsContact OD1-N 3.15Å; D41-A43 VanDerWaalsContact OD1-O 3.06Å; A43-R266 PolarHBondContact O-NE 3.42Å
44	F	94.8	Very high	85.9	Confident	52 Å²	52	78.3 Å²	78.3	23%	0.228	41%	0.408	C	S	.	.			trans	-121.3	154.6	169.2	69.2	-85.2	0	0	0	109.4	Y253 Q270 N273 I275	F44-Y253 HydrophobicContact CB-CD2 4.09Å; F44-Y253 HydrophobicContact CB-CG 4.14Å; F44-Y253 AromaticContact CD1-CD1 3.82Å; F44-Y253 HydrophobicContact CD1-CD1 3.82Å; F44-Y253 AromaticContact CD1-CD2 3.71Å; F44-Y253 HydrophobicContact CD1-CD2 3.71Å; F44-Y253 AromaticContact CD1-CE1 3.81Å; F44-Y253 HydrophobicContact CD1-CE1 3.81Å; F44-Y253 AromaticContact CD1-CE2 3.71Å; F44-Y253 HydrophobicContact CD1-CE2 3.71Å; F44-Y253 AromaticContact CD1-CG 3.77Å; F44-Y253 HydrophobicContact CD1-CG 3.77Å; F44-Y253 AromaticContact CD1-CZ 3.76Å; F44-Y253 HydrophobicContact CE1-CD1 4.3Å; F44-Y253 AromaticContact CE1-CE1 3.96Å; F44-Y253 HydrophobicContact CE1-CE1 3.96Å; F44-Y253 HydrophobicContact CE1-CE2 4.39Å; F44-Y253 HydrophobicContact CG-CD2 4.36Å; F44-Y253 HydrophobicContact CG-CG 4.31Å; F44-Q270 HydrophobicContact CB-CB 4.32Å; F44-N273 HydrophobicContact CD1-CB 3.94Å; F44-N273 HydrophobicContact CD2-CB 3.91Å; F44-N273 HydrophobicContact CE1-CB 4.01Å; F44-N273 HydrophobicContact CE2-CB 3.96Å; F44-N273 WeakPolarHBondContact CE2-OD1 3.41Å; F44-N273 HydrophobicContact CG-CB 3.9Å; F44-N273 HydrophobicContact CZ-CB 4.02Å; F44-I275 HydrophobicContact CE2-CB 4.15Å; F44-I275 HydrophobicContact CE2-CD1 3.8Å; F44-I275 HydrophobicContact CE2-CG1 3.92Å; F44-I275 HydrophobicContact CZ-CD1 4.08Å; F44-I275 HydrophobicContact CZ-CG1 4.01Å
45	E	93.3	Very high	88.4	Confident	94 Å²	94	76.9 Å²	76.9	44%	0.439	40%	0.401	S	S	.	.			trans	-123.8	119.4	179.5	-176.9	-176	159.5	0	0	109.6	R211 Q270 N320	E45-R211 PolarHBondContact O-NH2 2.81Å; E45-R211 VanDerWaalsContact O-NH2 3.1Å; E45-Q270 PolarHBondContact O-NE2 3.07Å; E45-Q270 PolarHBondContact O-OE1 2.86Å; E45-N320 PolarHBondContact O-OD1 3.05Å
46	M	91.7	Very high	90.7	Very high	55 Å²	55	69.7 Å²	69.7	27%	0.271	36%	0.363	S	S	.	.			trans	-86.3	126.3	175.9	-170.4	72.1	-178.3	0	0	110.1	I275 I316 N320	M46-I275 HydrophobicContact CB-CD1 4.46Å; M46-I275 HydrophobicContact CE-CG2 4.17Å; M46-I275 HydrophobicContact CG-CG2 3.96Å; M46-I275 HydrophobicContact SD-CG2 3.84Å; M46-I316 HydrophobicContact CE-CB 4.45Å; M46-I316 HydrophobicContact CE-CG2 3.21Å; M46-I316 WeakPolarHBondContact CE-O 3.19Å; M46-N320 HydrophobicContact CE-CB 4.38Å; M46-N320 VanDerWaalsContact CE-ND2 3.31Å; M46-N320 WeakPolarHBondContact CE-ND2 3.48Å; M46-N320 HydrophobicContact SD-CB 3.56Å; M46-N320 VanDerWaalsContact SD-CB 3.56Å; M46-N320 PolarHBondContact SD-ND2 2.88Å
47	A	91.9	Very high	92.8	Very high	21 Å²	21	67.1 Å²	67.1	17%	0.174	35%	0.346	C	S	.	.			trans	-132.4	133.5	170.5	0	0	0	0	0	109.7	R211 K214 N320	A47-R211 HydrophobicContact CB-CG 4.2Å; A47-K214 HydrophobicContact CB-CD 4.29Å; A47-K214 WeakPolarHBondContact O-CE 3.32Å; A47-K214 PolarHBondContact O-NZ 3.43Å; A47-N320 PolarHBondContact N-OD1 3.26Å; A47-N320 PolarHBondContact O-ND2 3.04Å; A47-N320 PolarHBondContact O-OD1 3.12Å
48	S	91.9	Very high	94.4	Very high	52 Å²	52	63.6 Å²	63.6	36%	0.364	31%	0.31	S	S	.	.			trans	-138.7	147.9	175.3	-178.8	0	0	0	0	109.3
49	S	95.1	Very high	95.4	Very high	10 Å²	10	64 Å²	64	7%	0.07	31%	0.311	C	S	.	.			trans	-64.2	156.7	165.3	-60.3	0	0	0	0	110.6	E190 P215	S49-E190 WeakPolarHBondContact CB-O 3.36Å; S49-E190 PolarHBondContact OG-O 3.48Å; S49-P215 WeakPolarHBondContact CB-O 3.28Å; S49-P215 PolarHBondContact OG-O 3.02Å
50	N	97.3	Very high	95.8	Very high	118 Å²	118	59.2 Å²	59.2	63%	0.631	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.8	163.8	-70.4	-24.6	0	0	0	108.5	L217 G218	N50-L217 HydrophobicContact CB-CD1 4.08Å; N50-L217 CarbonylContact O-C 3.44Å; N50-L217 WeakPolarHBondContact O-CA 3.28Å; N50-G218 PolarHBondContact O-N 3.4Å
51	I	98.1	Very high	95.9	Very high	57 Å²	57	56.6 Å²	56.6	29%	0.292	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	178.4	-56.3	-61.2	0	0	0	109	E190 T191 G218 V220 V312	I51-E190 HydrophobicContact CD1-CG 4.48Å; I51-T191 HydrophobicContact CD1-CG2 3.72Å; I51-G218 WeakPolarHBondContact CA-O 3.26Å; I51-V220 HydrophobicContact CG2-CG2 3.8Å; I51-V312 HydrophobicContact CD1-CG1 4.23Å; I51-V312 HydrophobicContact CG1-CG1 4.01Å; I51-V312 HydrophobicContact CG2-CG1 4.14Å
52	R	98.4	Very high	96.1	Very high	67 Å²	67	56.4 Å²	56.4	25%	0.253	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	166.7	-161.6	-172.4	-67.2	154	7	108	V57 E60 D64 L217 G218 V220	R52-V57 HydrophobicContact CB-CG2 4.42Å; R52-V57 HydrophobicContact CG-CG2 3.63Å; R52-E60 WeakPolarHBondContact CD-OE2 3.2Å; R52-E60 IonicContact CZ-OE2 3.13Å; R52-E60 IonicContact NE-OE2 2.8Å; R52-E60 IonicContact NH1-OE2 2.55Å; R52-E60 PolarHBondContact NH1-OE2 3.12Å; R52-D64 IonicContact CZ-OD1 3.73Å; R52-D64 IonicContact CZ-OD2 3.81Å; R52-D64 IonicContact NH1-OD1 2.72Å; R52-D64 PolarHBondContact NH1-OD1 3.23Å; R52-D64 IonicContact NH1-OD2 3.37Å; R52-D64 PolarHBondContact NH1-OD2 2.91Å; R52-D64 IonicContact NH2-OD1 2.9Å; R52-D64 PolarHBondContact NH2-OD1 3.23Å; R52-D64 IonicContact NH2-OD2 3.51Å; R52-D64 PolarHBondContact NH2-OD2 3.41Å; R52-L217 HydrophobicContact CB-CD1 4.13Å; R52-G218 PolarHBondContact N-O 3.39Å; R52-V220 PolarHBondContact O-N 3.46Å
53	Y	98.3	Very high	96.4	Very high	98 Å²	98	54.6 Å²	54.6	38%	0.384	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.7	-179	171.3	-92	0	0	0	109.7	V220 P222 L309	Y53-V220 WeakPolarHBondContact CA-O 3.14Å; Y53-V220 HydrophobicContact CD2-CB 3.94Å; Y53-V220 HydrophobicContact CD2-CG1 3.7Å; Y53-V220 WeakPolarHBondContact CD2-O 3.28Å; Y53-V220 HydrophobicContact CE2-CG1 4.27Å; Y53-P222 HydrophobicContact CE2-CB 4.18Å; Y53-P222 HydrophobicContact CE2-CG 4.22Å; Y53-L309 HydrophobicContact CD1-CD1 4.19Å; Y53-L309 HydrophobicContact CD2-CD1 3.98Å; Y53-L309 HydrophobicContact CD2-CD2 3.45Å; Y53-L309 VanDerWaalsContact CD2-CD2 3.45Å; Y53-L309 HydrophobicContact CD2-CG 3.65Å; Y53-L309 HydrophobicContact CE1-CD1 3.86Å; Y53-L309 HydrophobicContact CE2-CD1 3.63Å; Y53-L309 HydrophobicContact CE2-CD2 3.86Å; Y53-L309 HydrophobicContact CE2-CG 3.47Å; Y53-L309 VanDerWaalsContact CE2-CG 3.47Å; Y53-L309 HydrophobicContact CG-CD1 4.24Å; Y53-L309 HydrophobicContact CG-CD2 3.82Å; Y53-L309 HydrophobicContact CG-CG 4.27Å
54	G	97.6	Very high	96.5	Very high	20 Å²	20	53.9 Å²	53.9	21%	0.206	26%	0.263	C	S	.	.			trans	164.9	150.8	175.6	0	0	0	0	0	111.3	G56 V57 V220 P222	G54-G56 PolarHBondContact O-N 3.02Å; G54-V57 VanDerWaalsContact O-CB 3.24Å; G54-V57 WeakPolarHBondContact O-CB 3.45Å; G54-V57 WeakPolarHBondContact O-CG1 3.49Å; G54-V57 PolarHBondContact O-N 3.27Å; G54-V220 PolarHBondContact N-O 2.79Å; G54-P222 VanDerWaalsContact C-CD 3.47Å; G54-P222 VanDerWaalsContact O-CD 3.24Å; G54-P222 WeakPolarHBondContact O-CD 3.42Å
55	E	97.1	Very high	96.7	Very high	142 Å²	142	51.4 Å²	51.4	66%	0.664	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	123	177.1	-169.5	-178.3	135.8	0	0	111.1	V57 P222 L223	E55-V57 PolarHBondContact O-N 3.02Å; E55-P222 HydrophobicContact CB-CG 4.08Å; E55-L223 HydrophobicContact CG-CD1 3.72Å; E55-L223 HydrophobicContact CG-CD2 3.92Å; E55-L223 HydrophobicContact CG-CG 3.76Å
56	G	97.2	Very high	96.9	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.031	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	11.8	179.1	0	0	0	0	0	115.1	G54 T58 R59 D221	G54-G56 PolarHBondContact O-N 3.02Å; G56-T58 PolarHBondContact O-N 3.32Å; G56-R59 WeakPolarHBondContact O-CB 3.37Å; G56-R59 PolarHBondContact O-N 3.49Å; G56-R59 PolarHBondContact O-NE 3.14Å; G56-D221 WeakPolarHBondContact CA-OD2 3.23Å; G56-D221 VanDerWaalsContact N-CG 3.31Å; G56-D221 PolarHBondContact N-OD1 3.35Å; G56-D221 PolarHBondContact N-OD2 3.39Å
57	V	98.3	Very high	97.1	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.7	-177.4	69.8	0	0	0	0	112.9	R52 G54 E55 R59 E60 I219 D221	R52-V57 HydrophobicContact CB-CG2 4.42Å; R52-V57 HydrophobicContact CG-CG2 3.63Å; G54-V57 VanDerWaalsContact O-CB 3.24Å; G54-V57 WeakPolarHBondContact O-CB 3.45Å; G54-V57 WeakPolarHBondContact O-CG1 3.49Å; G54-V57 PolarHBondContact O-N 3.27Å; E55-V57 PolarHBondContact O-N 3.02Å; V57-R59 PolarHBondContact O-N 3.15Å; V57-R59 VanDerWaalsContact O-N 3.12Å; V57-E60 WeakPolarHBondContact O-CB 3.38Å; V57-E60 PolarHBondContact O-N 3.09Å; V57-I219 HydrophobicContact CG1-CG2 3.63Å; V57-D221 HydrophobicContact CG1-CB 4.08Å; V57-D221 PolarHBondContact N-OD2 3.36Å
58	T	98.1	Very high	97.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-58.2	-25.3	175.5	-64.2	0	0	0	0	113.3	G56 E60 I61 A89 V90 V181 D221 H224	G56-T58 PolarHBondContact O-N 3.32Å; T58-E60 PolarHBondContact O-N 3.5Å; T58-E60 VanDerWaalsContact O-N 3.1Å; T58-I61 HydrophobicContact CG2-CD1 3.98Å; T58-I61 WeakPolarHBondContact O-CG1 3.3Å; T58-I61 PolarHBondContact O-N 3.2Å; T58-A89 HydrophobicContact CG2-CB 3.94Å; T58-V90 HydrophobicContact CG2-CG2 3.39Å; T58-V181 HydrophobicContact CG2-CG1 4.22Å; T58-D221 PolarHBondContact N-OD2 2.84Å; T58-D221 WeakPolarHBondContact OG1-CB 3.24Å; T58-D221 PolarHBondContact OG1-OD2 3.19Å; T58-H224 PolarHBondContact OG1-NE2 3.09Å
59	R	97.9	Very high	97.6	Very high	147 Å²	147	58.1 Å²	58.1	56%	0.555	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.7	-14.9	176.7	-66.2	-173.8	-66.2	-93.2	-1.1	113.8	G56 V57 S93	G56-R59 WeakPolarHBondContact O-CB 3.37Å; G56-R59 PolarHBondContact O-N 3.49Å; G56-R59 PolarHBondContact O-NE 3.14Å; V57-R59 PolarHBondContact O-N 3.15Å; V57-R59 VanDerWaalsContact O-N 3.12Å; R59-S93 WeakPolarHBondContact O-CB 3.37Å; R59-S93 PolarHBondContact O-OG 3.3Å
60	E	98.1	Very high	97.6	Very high	77 Å²	77	58.5 Å²	58.5	36%	0.36	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-81.2	-12.7	179.5	-61.7	179.7	172.8	0	0	114	R52 V57 T58 G62 M63 D64	R52-E60 WeakPolarHBondContact CD-OE2 3.2Å; R52-E60 IonicContact CZ-OE2 3.13Å; R52-E60 IonicContact NE-OE2 2.8Å; R52-E60 IonicContact NH1-OE2 2.55Å; R52-E60 PolarHBondContact NH1-OE2 3.12Å; V57-E60 WeakPolarHBondContact O-CB 3.38Å; V57-E60 PolarHBondContact O-N 3.09Å; T58-E60 PolarHBondContact O-N 3.5Å; T58-E60 VanDerWaalsContact O-N 3.1Å; E60-G62 VanDerWaalsContact C-N 3.33Å; E60-G62 PolarHBondContact O-N 3.45Å; E60-M63 HydrophobicContact CB-CE 4.09Å; E60-M63 HydrophobicContact CG-CE 4.02Å; E60-M63 WeakPolarHBondContact O-CB 3.42Å; E60-M63 PolarHBondContact O-N 3.2Å; E60-D64 PolarHBondContact O-N 3.18Å
61	I	98.1	Very high	97.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-41.2	-171.2	-75.6	177.3	0	0	0	113.3	T58 M63 D64 L65 V90 I179 V181 I219	T58-I61 HydrophobicContact CG2-CD1 3.98Å; T58-I61 WeakPolarHBondContact O-CG1 3.3Å; T58-I61 PolarHBondContact O-N 3.2Å; I61-M63 VanDerWaalsContact C-N 3.27Å; I61-M63 PolarHBondContact O-N 3.1Å; I61-D64 WeakPolarHBondContact O-CB 3.31Å; I61-D64 PolarHBondContact O-N 3.25Å; I61-L65 HydrophobicContact CG2-CD1 3.58Å; I61-L65 HydrophobicContact CG2-CG 4.21Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 VanDerWaalsContact O-CG 3.25Å; I61-L65 WeakPolarHBondContact O-CG 3.42Å; I61-L65 PolarHBondContact O-N 3.41Å; I61-V90 HydrophobicContact CD1-CG2 3.86Å; I61-V90 HydrophobicContact CG2-CG1 4.32Å; I61-I179 HydrophobicContact CD1-CG2 4.24Å; I61-I179 HydrophobicContact CG1-CG2 4.39Å; I61-V181 HydrophobicContact CD1-CG2 3.41Å; I61-V181 VanDerWaalsContact CD1-CG2 3.41Å; I61-I219 HydrophobicContact CD1-CD1 3.6Å; I61-I219 HydrophobicContact CG1-CD1 3.24Å
62	G	98.1	Very high	97.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-39.8	176.8	0	0	0	0	0	112.4	E60 L65 Q66 S93	E60-G62 VanDerWaalsContact C-N 3.33Å; E60-G62 PolarHBondContact O-N 3.45Å; G62-L65 PolarHBondContact O-N 3.47Å; G62-Q66 WeakPolarHBondContact O-CG 3.41Å; G62-Q66 PolarHBondContact O-N 3.06Å; G62-S93 WeakPolarHBondContact CA-OG 3.3Å; G62-S93 PolarHBondContact N-OG 3.26Å
63	M	98.1	Very high	97.3	Very high	88 Å²	88	59.6 Å²	59.6	43%	0.433	29%	0.293	S	S	.	.	H	α-helix	trans	-70.7	-39.5	175.3	-64.9	-178.9	-73.6	0	0	111.6	E60 I61 L65 Q66 N67 N97	E60-M63 HydrophobicContact CB-CE 4.09Å; E60-M63 HydrophobicContact CG-CE 4.02Å; E60-M63 WeakPolarHBondContact O-CB 3.42Å; E60-M63 PolarHBondContact O-N 3.2Å; I61-M63 VanDerWaalsContact C-N 3.27Å; I61-M63 PolarHBondContact O-N 3.1Å; M63-L65 VanDerWaalsContact C-N 3.29Å; M63-L65 PolarHBondContact O-N 2.91Å; M63-Q66 PolarHBondContact O-N 3Å; M63-N67 WeakPolarHBondContact O-CB 3.26Å; M63-N67 PolarHBondContact O-N 2.99Å; M63-N67 PolarHBondContact O-ND2 3.03Å; M63-N67 VanDerWaalsContact O-ND2 3.15Å; M63-N97 WeakPolarHBondContact CG-OD1 3.5Å
64	D	97.9	Very high	97.3	Very high	19 Å²	19	55 Å²	55	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-44.6	173.7	-73.3	-44.3	0	0	0	111.2	R52 E60 I61 N67 M68 I179	R52-D64 IonicContact CZ-OD1 3.73Å; R52-D64 IonicContact CZ-OD2 3.81Å; R52-D64 IonicContact NH1-OD1 2.72Å; R52-D64 PolarHBondContact NH1-OD1 3.23Å; R52-D64 IonicContact NH1-OD2 3.37Å; R52-D64 PolarHBondContact NH1-OD2 2.91Å; R52-D64 IonicContact NH2-OD1 2.9Å; R52-D64 PolarHBondContact NH2-OD1 3.23Å; R52-D64 IonicContact NH2-OD2 3.51Å; R52-D64 PolarHBondContact NH2-OD2 3.41Å; E60-D64 PolarHBondContact O-N 3.18Å; I61-D64 WeakPolarHBondContact O-CB 3.31Å; I61-D64 PolarHBondContact O-N 3.25Å; D64-N67 PolarHBondContact O-N 3.31Å; D64-M68 VanDerWaalsContact O-CG 3.25Å; D64-M68 WeakPolarHBondContact O-CG 3.1Å; D64-M68 PolarHBondContact O-N 2.81Å; D64-I179 HydrophobicContact CB-CD1 4.19Å
65	L	98.1	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-39.1	179.6	-68.2	165.9	0	0	0	112	I61 G62 M63 M68 G69 A70 V73 L94 V99 I130 V132 I179	I61-L65 HydrophobicContact CG2-CD1 3.58Å; I61-L65 HydrophobicContact CG2-CG 4.21Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 VanDerWaalsContact O-CG 3.25Å; I61-L65 WeakPolarHBondContact O-CG 3.42Å; I61-L65 PolarHBondContact O-N 3.41Å; G62-L65 PolarHBondContact O-N 3.47Å; M63-L65 VanDerWaalsContact C-N 3.29Å; M63-L65 PolarHBondContact O-N 2.91Å; L65-M68 PolarHBondContact O-N 3.25Å; L65-G69 PolarHBondContact O-N 3.34Å; L65-A70 HydrophobicContact CB-CB 3.9Å; L65-A70 HydrophobicContact CD2-CB 4.19Å; L65-A70 WeakPolarHBondContact O-CB 3.35Å; L65-A70 PolarHBondContact O-N 3.5Å; L65-V73 HydrophobicContact CD1-CG1 4.44Å; L65-V73 HydrophobicContact CD1-CG2 4.17Å; L65-V73 HydrophobicContact CD2-CG2 4.05Å; L65-L94 HydrophobicContact CD1-CD2 3.22Å; L65-V99 HydrophobicContact CB-CG1 4.25Å; L65-V99 HydrophobicContact CB-CG2 4.2Å; L65-V99 HydrophobicContact CD1-CG1 4.23Å; L65-I130 HydrophobicContact CD2-CB 4.1Å; L65-I130 HydrophobicContact CD2-CD1 3.95Å; L65-I130 HydrophobicContact CD2-CG2 3.51Å; L65-V132 HydrophobicContact CD1-CG2 4.13Å; L65-V132 HydrophobicContact CD2-CG2 4.23Å; L65-I179 HydrophobicContact CD2-CD1 4.04Å; L65-I179 HydrophobicContact CG-CD1 4.32Å
66	Q	97.3	Very high	97.4	Very high	101 Å²	101	47.2 Å²	47.2	47%	0.472	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-46.1	170.4	-76.3	-174.9	-19.5	0	0	112	G62 M63 M68 G69 N97 V99	G62-Q66 WeakPolarHBondContact O-CG 3.41Å; G62-Q66 PolarHBondContact O-N 3.06Å; M63-Q66 PolarHBondContact O-N 3Å; Q66-M68 PolarHBondContact O-N 3.19Å; Q66-G69 WeakPolarHBondContact O-CA 3.29Å; Q66-G69 PolarHBondContact O-N 2.91Å; Q66-N97 HydrophobicContact CG-CB 4.28Å; Q66-N97 PolarHBondContact NE2-O 2.91Å; Q66-V99 HydrophobicContact CG-CG2 4.24Å
67	N	97.1	Very high	97.5	Very high	138 Å²	138	47.1 Å²	47.1	74%	0.738	23%	0.232	S	C	*	.	H	α-helix	trans	-63.4	-32	178.9	-70.8	-30.1	0	0	0	112.3	M63 D64 G69	M63-N67 WeakPolarHBondContact O-CB 3.26Å; M63-N67 PolarHBondContact O-N 2.99Å; M63-N67 PolarHBondContact O-ND2 3.03Å; M63-N67 VanDerWaalsContact O-ND2 3.15Å; D64-N67 PolarHBondContact O-N 3.31Å; N67-G69 PolarHBondContact O-N 3.36Å
68	M	96.7	Very high	97.3	Very high	77 Å²	77	47.2 Å²	47.2	38%	0.379	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.8	173.4	-66.6	178.1	-171.9	0	0	113.3	D64 L65 Q66 A70 I130 P177 I179	D64-M68 VanDerWaalsContact O-CG 3.25Å; D64-M68 WeakPolarHBondContact O-CG 3.1Å; D64-M68 PolarHBondContact O-N 2.81Å; L65-M68 PolarHBondContact O-N 3.25Å; Q66-M68 PolarHBondContact O-N 3.19Å; M68-A70 VanDerWaalsContact C-N 3.33Å; M68-I130 HydrophobicContact CB-CD1 3.45Å; M68-I130 VanDerWaalsContact CB-CD1 3.45Å; M68-I130 HydrophobicContact CG-CD1 4.29Å; M68-I130 HydrophobicContact SD-CD1 3.91Å; M68-P177 HydrophobicContact SD-CB 4.41Å; M68-I179 HydrophobicContact CE-CD1 4.27Å; M68-I179 HydrophobicContact SD-CD1 4.4Å
69	G	96.1	Very high	97.1	Very high	47 Å²	47	51.4 Å²	51.4	49%	0.485	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	28.8	-178.5	0	0	0	0	0	113.7	L65 Q66 N67 R71	L65-G69 PolarHBondContact O-N 3.34Å; Q66-G69 WeakPolarHBondContact O-CA 3.29Å; Q66-G69 PolarHBondContact O-N 2.91Å; N67-G69 PolarHBondContact O-N 3.36Å; G69-R71 PolarHBondContact O-N 2.92Å
70	A	96.4	Very high	96.6	Very high	19 Å²	19	47.5 Å²	47.5	16%	0.157	25%	0.245	C	C	.	.			trans	-59.5	133.1	-178.5	0	0	0	0	0	111.4	L65 M68 V73 I130	L65-A70 HydrophobicContact CB-CB 3.9Å; L65-A70 HydrophobicContact CD2-CB 4.19Å; L65-A70 WeakPolarHBondContact O-CB 3.35Å; L65-A70 PolarHBondContact O-N 3.5Å; M68-A70 VanDerWaalsContact C-N 3.33Å; A70-V73 HydrophobicContact CB-CG2 3.87Å; A70-I130 HydrophobicContact CB-CD1 3.6Å; A70-I130 HydrophobicContact CB-CG1 4.23Å
71	R	93.3	Very high	96.3	Very high	190 Å²	190	44.9 Å²	44.9	72%	0.717	23%	0.233	S	C	*	.	S	Bend	trans	-115.9	-34.6	175.2	-58	-177.4	179.2	-168.3	-1.7	112	G69 N100 D129	G69-R71 PolarHBondContact O-N 2.92Å; R71-N100 WeakPolarHBondContact O-CB 3.48Å; R71-D129 WeakPolarHBondContact CA-OD2 3.47Å; R71-D129 VanDerWaalsContact CB-OD2 3.3Å; R71-D129 WeakPolarHBondContact CB-OD2 2.98Å; R71-D129 PolarHBondContact N-OD1 3.06Å; R71-D129 PolarHBondContact N-OD2 2.85Å
72	N	94.9	Very high	95.8	Very high	75 Å²	75	46 Å²	46	40%	0.401	24%	0.241	S	C	.	.	S	Bend	trans	-139.4	97.4	-177	-70.1	-29.5	0	0	0	109.9	T127 F128 D129	N72-T127 WeakPolarHBondContact CB-O 3.45Å; N72-T127 PolarHBondContact ND2-O 2.94Å; N72-F128 HydrophobicContact CB-CD1 4.45Å; N72-F128 WeakPolarHBondContact O-CA 3.39Å; N72-D129 PolarHBondContact N-OD1 2.77Å; N72-D129 VanDerWaalsContact N-OD1 3.1Å; N72-D129 PolarHBondContact N-OD2 2.87Å; N72-D129 PolarHBondContact O-N 2.76Å
73	V	98.3	Very high	95.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.1	-177.7	179	0	0	0	0	111.4	L65 A70 V99 N100 Y101 K102 I130 V132	L65-V73 HydrophobicContact CD1-CG1 4.44Å; L65-V73 HydrophobicContact CD1-CG2 4.17Å; L65-V73 HydrophobicContact CD2-CG2 4.05Å; A70-V73 HydrophobicContact CB-CG2 3.87Å; V73-V99 HydrophobicContact CG2-CG1 3.64Å; V73-N100 PolarHBondContact N-O 3.12Å; V73-Y101 CarbonylContact O-C 3.54Å; V73-Y101 VanDerWaalsContact O-CA 3.26Å; V73-Y101 WeakPolarHBondContact O-CA 3.41Å; V73-K102 PolarHBondContact O-N 2.92Å; V73-I130 WeakPolarHBondContact CA-O 3.12Å; V73-V132 HydrophobicContact CG1-CB 4.31Å; V73-V132 HydrophobicContact CG1-CG2 3.64Å
74	C	98.6	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.9	166.7	-168.8	0	0	0	0	109.1	M76 F128 I130 Y131 V132	C74-M76 VanDerWaalsContact SG-CE 3.5Å; C74-F128 HydrophobicContact CB-CB 3.98Å; C74-F128 HydrophobicContact CB-CD1 3.61Å; C74-F128 HydrophobicContact CB-CD2 3.82Å; C74-F128 HydrophobicContact CB-CE1 3.98Å; C74-F128 HydrophobicContact CB-CE2 4.17Å; C74-F128 HydrophobicContact CB-CG 3.53Å; C74-F128 HydrophobicContact CB-CZ 4.24Å; C74-I130 PolarHBondContact N-O 2.91Å; C74-Y131 HydrophobicContact CB-CD1 3.51Å; C74-Y131 HydrophobicContact CB-CE1 3.65Å; C74-Y131 HydrophobicContact CB-CG 4.16Å; C74-Y131 CarbonylContact O-C 3.53Å; C74-Y131 WeakPolarHBondContact O-CA 3.42Å; C74-V132 PolarHBondContact O-N 3.49Å
75	L	98.6	Very high	94.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.7	173.1	-173.3	149.6	0	0	0	109.3	T77 V90 L91 L94 K102 V103 Y104 V132	L75-T77 HydrophobicContact CD2-CG2 4.43Å; L75-V90 HydrophobicContact CD1-CB 4.38Å; L75-V90 HydrophobicContact CD1-CG1 3.51Å; L75-L91 HydrophobicContact CD1-CD2 4Å; L75-L94 HydrophobicContact CD1-CD1 3.78Å; L75-K102 PolarHBondContact N-O 3Å; L75-V103 HydrophobicContact CB-CG2 4.46Å; L75-V103 HydrophobicContact CD2-CG1 3.91Å; L75-V103 HydrophobicContact CD2-CG2 4.18Å; L75-V103 CarbonylContact O-C 3.28Å; L75-V103 WeakPolarHBondContact O-CA 3.32Å; L75-Y104 PolarHBondContact O-N 3.17Å; L75-V132 CarbonylContact C-O 3.54Å; L75-V132 WeakPolarHBondContact CA-O 3.28Å
76	M	98.7	Very high	94.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134	177.7	-61.3	-161.1	167	0	0	111.5	C74 Y104 A119 F122 A123 V132 V134 V139 T142 C143 A146	C74-M76 VanDerWaalsContact SG-CE 3.5Å; M76-Y104 CarbonylContact C-O 3.44Å; M76-Y104 VanDerWaalsContact CA-O 3.3Å; M76-Y104 WeakPolarHBondContact CA-O 3.41Å; M76-Y104 HydrophobicContact CG-CD1 4.43Å; M76-Y104 HydrophobicContact SD-CD1 4.35Å; M76-A119 HydrophobicContact CE-CB 4.49Å; M76-F122 HydrophobicContact CE-CD1 4.3Å; M76-A123 HydrophobicContact CE-CB 4.45Å; M76-V132 PolarHBondContact N-O 3.36Å; M76-V134 PolarHBondContact O-N 3.06Å; M76-V139 HydrophobicContact CB-CG1 4.45Å; M76-V139 WeakPolarHBondContact O-CG1 3.43Å; M76-T142 HydrophobicContact SD-CG2 4.5Å; M76-C143 HydrophobicContact CB-CB 4.19Å; M76-C143 HydrophobicContact CG-CB 4.33Å; M76-C143 VanDerWaalsContact SD-CA 3.58Å; M76-C143 HydrophobicContact SD-CB 3.85Å; M76-A146 HydrophobicContact CE-CB 3.37Å; M76-A146 HydrophobicContact SD-CB 3.94Å
77	T	98.4	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.			trans	-152.3	-178.8	175.2	-162.6	0	0	0	0	110.7	L75 V87 Y104 D105 V107 V134	L75-T77 HydrophobicContact CD2-CG2 4.43Å; T77-V87 HydrophobicContact CG2-CG1 4.44Å; T77-V87 HydrophobicContact CG2-CG2 4.29Å; T77-V87 WeakPolarHBondContact OG1-CG2 3.19Å; T77-Y104 PolarHBondContact N-O 3.26Å; T77-D105 HydrophobicContact CG2-CB 3.91Å; T77-D105 CarbonylContact O-C 3.54Å; T77-D105 VanDerWaalsContact O-C 3.22Å; T77-D105 VanDerWaalsContact O-CA 3.26Å; T77-D105 WeakPolarHBondContact O-CA 3.24Å; T77-V107 VanDerWaalsContact O-CB 3.3Å; T77-V107 WeakPolarHBondContact O-CB 3.05Å; T77-V107 WeakPolarHBondContact O-CG2 3.24Å; T77-V107 PolarHBondContact O-N 3.1Å; T77-V134 WeakPolarHBondContact CB-O 3.31Å; T77-V134 PolarHBondContact OG1-O 3.19Å
78	D	94.8	Very high	94.7	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.07	25%	0.248	C	C	.	.			trans	-112.9	162.5	172.8	71.1	63.5	0	0	0	111.7	N80 L81 S82 D105 V107 V139	D78-N80 PolarHBondContact O-N 2.81Å; D78-N80 VanDerWaalsContact OD1-CA 3.31Å; D78-N80 WeakPolarHBondContact OD1-CA 3.49Å; D78-N80 WeakPolarHBondContact OD1-CB 3.47Å; D78-N80 PolarHBondContact OD1-N 2.81Å; D78-L81 PolarHBondContact O-N 2.81Å; D78-L81 VanDerWaalsContact O-N 3.11Å; D78-L81 PolarHBondContact OD1-N 2.94Å; D78-L81 WeakPolarHBondContact OD2-CD1 3.4Å; D78-S82 PolarHBondContact O-N 3.04Å; D78-D105 CarbonylContact C-O 3.59Å; D78-D105 VanDerWaalsContact C-O 3.28Å; D78-D105 WeakPolarHBondContact CA-O 3.47Å; D78-V107 HydrophobicContact CB-CB 4.17Å; D78-V107 VanDerWaalsContact CB-O 3.3Å; D78-V107 WeakPolarHBondContact CB-O 3.25Å; D78-V139 HydrophobicContact CB-CG2 4.07Å
79	N	92.5	Very high	94.7	Very high	88 Å²	88	44.6 Å²	44.6	47%	0.471	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.5	-177.1	-72.9	-42.5	0	0	0	114	L81 D105	N79-L81 VanDerWaalsContact C-N 3.34Å; N79-D105 VanDerWaalsContact CG-O 3.32Å; N79-D105 PolarHBondContact N-O 3.35Å; N79-D105 PolarHBondContact OD1-O 2.92Å; N79-D105 VanDerWaalsContact OD1-O 3.12Å
80	N	88.6	Confident	94.8	Very high	66 Å²	66	42.4 Å²	42.4	35%	0.353	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-26.8	175.6	-60.5	-51.5	0	0	0	111.4	D78 N346	D78-N80 PolarHBondContact O-N 2.81Å; D78-N80 VanDerWaalsContact OD1-CA 3.31Å; D78-N80 WeakPolarHBondContact OD1-CA 3.49Å; D78-N80 WeakPolarHBondContact OD1-CB 3.47Å; D78-N80 PolarHBondContact OD1-N 2.81Å; N80-N346 PolarHBondContact OD1-ND2 3.29Å
81	L	91.4	Very high	94.9	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.115	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-20.2	-177.3	-64.2	-178.7	0	0	0	114.2	D78 N79 Q83 L84 V87 T183	D78-L81 PolarHBondContact O-N 2.81Å; D78-L81 VanDerWaalsContact O-N 3.11Å; D78-L81 PolarHBondContact OD1-N 2.94Å; D78-L81 WeakPolarHBondContact OD2-CD1 3.4Å; N79-L81 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.31Å; L81-L84 HydrophobicContact CD2-CD1 3.71Å; L81-L84 WeakPolarHBondContact O-CB 3.21Å; L81-L84 PolarHBondContact O-N 2.77Å; L81-V87 HydrophobicContact CB-CG2 4.08Å; L81-V87 VanDerWaalsContact O-CG2 3.23Å; L81-V87 WeakPolarHBondContact O-CG2 3.37Å; L81-T183 HydrophobicContact CD1-CG2 4.32Å
82	S	87.7	Confident	95.1	Very high	24 Å²	24	39.2 Å²	39.2	17%	0.168	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.2	-171	70.3	0	0	0	0	114.6	D78	D78-S82 PolarHBondContact O-N 3.04Å
83	Q	87.3	Confident	95.3	Very high	165 Å²	165	35.7 Å²	35.7	77%	0.771	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	9.4	178.8	-54.3	-54.5	-62.6	0	0	113.6	L81	L81-Q83 PolarHBondContact O-N 3.31Å
84	L	93.3	Very high	95.3	Very high	58 Å²	58	35.7 Å²	35.7	30%	0.304	19%	0.186	S	C	.	.	S	Bend	trans	-99.3	159.1	-179.7	-58.7	-172	0	0	0	111.6	L81 P86 V87 E88 H227	L81-L84 HydrophobicContact CD2-CD1 3.71Å; L81-L84 WeakPolarHBondContact O-CB 3.21Å; L81-L84 PolarHBondContact O-N 2.77Å; L84-P86 VanDerWaalsContact C-N 3.28Å; L84-P86 WeakPolarHBondContact O-CD 3.33Å; L84-P86 VanDerWaalsContact O-N 3.1Å; L84-V87 PolarHBondContact O-N 3.39Å; L84-V87 VanDerWaalsContact O-N 3.1Å; L84-E88 PolarHBondContact O-N 3.28Å; L84-E88 VanDerWaalsContact O-N 3.15Å; L84-H227 HydrophobicContact CD1-CB 4.37Å
85	S	94	Very high	95.2	Very high	41 Å²	41	40.4 Å²	40.4	29%	0.287	22%	0.215	S	C	.	.	H	α-helix	trans	-52.2	-33	-176.8	81.1	0	0	0	0	115.3	A89 H227	S85-A89 VanDerWaalsContact O-CB 3.3Å; S85-A89 WeakPolarHBondContact O-CB 3.3Å; S85-A89 PolarHBondContact O-N 3.1Å; S85-H227 PolarHBondContact OG-CE1 3.24Å
86	P	95.8	Very high	95.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.8	-22.8	35.1	0	0	0	112.8	L84 V90 V134 T183 H224	L84-P86 VanDerWaalsContact C-N 3.28Å; L84-P86 WeakPolarHBondContact O-CD 3.33Å; L84-P86 VanDerWaalsContact O-N 3.1Å; P86-V90 WeakPolarHBondContact O-CG2 3.33Å; P86-V90 PolarHBondContact O-N 3.37Å; P86-V134 HydrophobicContact CB-CG1 4.04Å; P86-T183 HydrophobicContact CB-CG2 3.53Å; P86-T183 HydrophobicContact CG-CG2 3.77Å; P86-H224 HydrophobicContact CB-CB 4.21Å; P86-H224 HydrophobicContact CG-CB 3.84Å
87	V	97.2	Very high	95.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-73.6	-42.7	179.5	178.2	0	0	0	0	110	T77 L81 L84 A89 V90 L91 V134	T77-V87 HydrophobicContact CG2-CG1 4.44Å; T77-V87 HydrophobicContact CG2-CG2 4.29Å; T77-V87 WeakPolarHBondContact OG1-CG2 3.19Å; L81-V87 HydrophobicContact CB-CG2 4.08Å; L81-V87 VanDerWaalsContact O-CG2 3.23Å; L81-V87 WeakPolarHBondContact O-CG2 3.37Å; L84-V87 PolarHBondContact O-N 3.39Å; L84-V87 VanDerWaalsContact O-N 3.1Å; V87-A89 VanDerWaalsContact C-N 3.35Å; V87-A89 PolarHBondContact O-N 3.1Å; V87-V90 PolarHBondContact O-N 3.41Å; V87-V90 VanDerWaalsContact O-N 3.14Å; V87-L91 HydrophobicContact CG1-CD1 3.88Å; V87-L91 HydrophobicContact CG1-CG 4.15Å; V87-L91 WeakPolarHBondContact O-CG 3.46Å; V87-L91 PolarHBondContact O-N 2.92Å; V87-V134 HydrophobicContact CG2-CB 4.2Å; V87-V134 HydrophobicContact CG2-CG1 3.8Å
88	E	96.4	Very high	95	Very high	107 Å²	107	51.8 Å²	51.8	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-54.7	-48.8	175.2	-174.6	174.6	-147.8	0	0	111.6	L84 V90 L91 E92	L84-E88 PolarHBondContact O-N 3.28Å; L84-E88 VanDerWaalsContact O-N 3.15Å; E88-V90 PolarHBondContact O-N 3.33Å; E88-L91 PolarHBondContact O-N 3.24Å; E88-L91 VanDerWaalsContact O-N 3.12Å; E88-E92 HydrophobicContact CG-CG 4.25Å; E88-E92 WeakPolarHBondContact O-CB 3.34Å; E88-E92 WeakPolarHBondContact O-CG 3.49Å; E88-E92 PolarHBondContact O-N 2.94Å
89	A	97.3	Very high	95.1	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-35.2	179.5	0	0	0	0	0	113	T58 S85 V87 S93	T58-A89 HydrophobicContact CG2-CB 3.94Å; S85-A89 VanDerWaalsContact O-CB 3.3Å; S85-A89 WeakPolarHBondContact O-CB 3.3Å; S85-A89 PolarHBondContact O-N 3.1Å; V87-A89 VanDerWaalsContact C-N 3.35Å; V87-A89 PolarHBondContact O-N 3.1Å; A89-S93 WeakPolarHBondContact O-CB 3.3Å; A89-S93 PolarHBondContact O-N 3.4Å
90	V	98.1	Very high	95.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-71.3	-50.4	174.5	178.8	0	0	0	0	110.8	T58 I61 L75 P86 V87 E88 E92 S93 L94 V132 V134 V181	T58-V90 HydrophobicContact CG2-CG2 3.39Å; I61-V90 HydrophobicContact CD1-CG2 3.86Å; I61-V90 HydrophobicContact CG2-CG1 4.32Å; L75-V90 HydrophobicContact CD1-CB 4.38Å; L75-V90 HydrophobicContact CD1-CG1 3.51Å; P86-V90 WeakPolarHBondContact O-CG2 3.33Å; P86-V90 PolarHBondContact O-N 3.37Å; V87-V90 PolarHBondContact O-N 3.41Å; V87-V90 VanDerWaalsContact O-N 3.14Å; E88-V90 PolarHBondContact O-N 3.33Å; V90-E92 VanDerWaalsContact C-N 3.33Å; V90-E92 PolarHBondContact O-N 3.28Å; V90-S93 WeakPolarHBondContact O-CB 3.46Å; V90-S93 PolarHBondContact O-N 3.21Å; V90-S93 VanDerWaalsContact O-N 3.17Å; V90-L94 HydrophobicContact CG1-CD1 3.93Å; V90-L94 HydrophobicContact CG1-CG 4.24Å; V90-L94 VanDerWaalsContact O-CG 3.26Å; V90-L94 WeakPolarHBondContact O-CG 3.34Å; V90-L94 PolarHBondContact O-N 2.92Å; V90-V132 HydrophobicContact CG1-CG1 4.19Å; V90-V134 HydrophobicContact CB-CG2 4.2Å; V90-V134 HydrophobicContact CG1-CG2 4.3Å; V90-V134 HydrophobicContact CG2-CG1 4.44Å; V90-V134 HydrophobicContact CG2-CG2 3.65Å; V90-V181 HydrophobicContact CG2-CG2 4.41Å
91	L	97.9	Very high	95.7	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-43.2	-178.1	-66.1	176.7	0	0	0	111.7	L75 V87 E88 L94 V95 Y101 V103	L75-L91 HydrophobicContact CD1-CD2 4Å; V87-L91 HydrophobicContact CG1-CD1 3.88Å; V87-L91 HydrophobicContact CG1-CG 4.15Å; V87-L91 WeakPolarHBondContact O-CG 3.46Å; V87-L91 PolarHBondContact O-N 2.92Å; E88-L91 PolarHBondContact O-N 3.24Å; E88-L91 VanDerWaalsContact O-N 3.12Å; L91-L94 PolarHBondContact O-N 3.45Å; L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3.23Å; L91-Y101 HydrophobicContact CD2-CD2 4.27Å; L91-Y101 HydrophobicContact CD2-CE2 3.49Å; L91-Y101 VanDerWaalsContact CD2-CE2 3.49Å; L91-V103 HydrophobicContact CD2-CG2 4.25Å
92	E	97.9	Very high	96	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-46.6	174.5	-72.8	-174	156.4	0	0	111.7	E88 V90 L94 V95 Q96	E88-E92 HydrophobicContact CG-CG 4.25Å; E88-E92 WeakPolarHBondContact O-CB 3.34Å; E88-E92 WeakPolarHBondContact O-CG 3.49Å; E88-E92 PolarHBondContact O-N 2.94Å; V90-E92 VanDerWaalsContact C-N 3.33Å; V90-E92 PolarHBondContact O-N 3.28Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 3.13Å; E92-V95 PolarHBondContact O-N 3.12Å; E92-Q96 WeakPolarHBondContact O-CB 3.45Å; E92-Q96 VanDerWaalsContact O-CG 3.22Å; E92-Q96 WeakPolarHBondContact O-CG 3.5Å; E92-Q96 PolarHBondContact O-N 3.47Å
93	S	98.2	Very high	96.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-41.4	177.8	-173.7	0	0	0	0	111.8	R59 G62 A89 V90 N97	R59-S93 WeakPolarHBondContact O-CB 3.37Å; R59-S93 PolarHBondContact O-OG 3.3Å; G62-S93 WeakPolarHBondContact CA-OG 3.3Å; G62-S93 PolarHBondContact N-OG 3.26Å; A89-S93 WeakPolarHBondContact O-CB 3.3Å; A89-S93 PolarHBondContact O-N 3.4Å; V90-S93 WeakPolarHBondContact O-CB 3.46Å; V90-S93 PolarHBondContact O-N 3.21Å; V90-S93 VanDerWaalsContact O-N 3.17Å; S93-N97 WeakPolarHBondContact O-CB 3.2Å; S93-N97 PolarHBondContact O-N 3.37Å; S93-N97 VanDerWaalsContact O-N 3.14Å; S93-N97 PolarHBondContact O-ND2 2.9Å
94	L	97.7	Very high	97	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.3	-67.1	172.8	0	0	0	111.8	L65 L75 V90 L91 E92 N97 G98 V99 Y101	L65-L94 HydrophobicContact CD1-CD2 3.22Å; L75-L94 HydrophobicContact CD1-CD1 3.78Å; V90-L94 HydrophobicContact CG1-CD1 3.93Å; V90-L94 HydrophobicContact CG1-CG 4.24Å; V90-L94 VanDerWaalsContact O-CG 3.26Å; V90-L94 WeakPolarHBondContact O-CG 3.34Å; V90-L94 PolarHBondContact O-N 2.92Å; L91-L94 PolarHBondContact O-N 3.45Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 3.13Å; L94-N97 CarbonylContact O-C 3.36Å; L94-N97 PolarHBondContact O-N 3.29Å; L94-G98 PolarHBondContact O-N 3.48Å; L94-G98 VanDerWaalsContact O-N 3.07Å; L94-V99 HydrophobicContact CB-CB 4.39Å; L94-V99 HydrophobicContact CD2-CB 3.8Å; L94-V99 HydrophobicContact CD2-CG1 3.7Å; L94-V99 HydrophobicContact CD2-CG2 4.36Å; L94-V99 PolarHBondContact O-N 3.45Å; L94-Y101 HydrophobicContact CB-CD1 3.77Å; L94-Y101 HydrophobicContact CB-CE1 3.79Å; L94-Y101 HydrophobicContact CD1-CD1 3.62Å; L94-Y101 HydrophobicContact CD1-CD2 4.29Å; L94-Y101 HydrophobicContact CD1-CE1 4.05Å; L94-Y101 HydrophobicContact CD1-CG 3.76Å; L94-Y101 HydrophobicContact CG-CD1 4.24Å
95	V	97.2	Very high	97.2	Very high	99 Å²	99	51.7 Å²	51.7	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-64.4	-47.3	179.4	170.7	0	0	0	0	111.1	L91 E92 N97 G98 Y101	L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3.23Å; E92-V95 PolarHBondContact O-N 3.12Å; V95-N97 PolarHBondContact O-N 3.33Å; V95-G98 PolarHBondContact O-N 3.37Å; V95-Y101 HydrophobicContact CG2-CE1 4.4Å
96	Q	97.6	Very high	97.3	Very high	147 Å²	147	53.5 Å²	53.5	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-59.6	-32.7	179.2	-73.9	172.3	9.6	0	0	112.5	E92	E92-Q96 WeakPolarHBondContact O-CB 3.45Å; E92-Q96 VanDerWaalsContact O-CG 3.22Å; E92-Q96 WeakPolarHBondContact O-CG 3.5Å; E92-Q96 PolarHBondContact O-N 3.47Å
97	N	97.4	Very high	97.4	Very high	31 Å²	31	53.9 Å²	53.9	17%	0.166	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	8.5	179.8	-69	-79.3	0	0	0	113.2	M63 Q66 S93 L94 V95 V99	M63-N97 WeakPolarHBondContact CG-OD1 3.5Å; Q66-N97 HydrophobicContact CG-CB 4.28Å; Q66-N97 PolarHBondContact NE2-O 2.91Å; S93-N97 WeakPolarHBondContact O-CB 3.2Å; S93-N97 PolarHBondContact O-N 3.37Å; S93-N97 VanDerWaalsContact O-N 3.14Å; S93-N97 PolarHBondContact O-ND2 2.9Å; L94-N97 CarbonylContact O-C 3.36Å; L94-N97 PolarHBondContact O-N 3.29Å; V95-N97 PolarHBondContact O-N 3.33Å; N97-V99 HydrophobicContact CB-CG2 4.1Å; N97-V99 PolarHBondContact O-N 3.29Å
98	G	96.4	Very high	97.2	Very high	61 Å²	61	57.3 Å²	57.3	63%	0.629	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	31.4	177.4	0	0	0	0	0	114.2	L94 V95	L94-G98 PolarHBondContact O-N 3.48Å; L94-G98 VanDerWaalsContact O-N 3.07Å; V95-G98 PolarHBondContact O-N 3.37Å
99	V	97.3	Very high	96.9	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	29%	0.286	C	S	.	.			trans	-84.1	126.2	179.3	179.5	0	0	0	0	109.1	L65 Q66 V73 L94 N97 Y101	L65-V99 HydrophobicContact CB-CG1 4.25Å; L65-V99 HydrophobicContact CB-CG2 4.2Å; L65-V99 HydrophobicContact CD1-CG1 4.23Å; Q66-V99 HydrophobicContact CG-CG2 4.24Å; V73-V99 HydrophobicContact CG2-CG1 3.64Å; L94-V99 HydrophobicContact CB-CB 4.39Å; L94-V99 HydrophobicContact CD2-CB 3.8Å; L94-V99 HydrophobicContact CD2-CG1 3.7Å; L94-V99 HydrophobicContact CD2-CG2 4.36Å; L94-V99 PolarHBondContact O-N 3.45Å; N97-V99 HydrophobicContact CB-CG2 4.1Å; N97-V99 PolarHBondContact O-N 3.29Å; V99-Y101 WeakPolarHBondContact O-CD1 3.32Å
100	N	96.8	Very high	96.5	Very high	111 Å²	111	54.1 Å²	54.1	59%	0.594	29%	0.285	S	S	*	.			trans	-78.9	133.6	174.1	-58.2	-44.6	0	0	0	110.4	R71 V73	R71-N100 WeakPolarHBondContact O-CB 3.48Å; V73-N100 PolarHBondContact N-O 3.12Å
101	Y	97.6	Very high	96.2	Very high	76 Å²	76	54.3 Å²	54.3	30%	0.298	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.4	-179.3	64	-89.6	0	0	0	112	V73 L91 L94 V95 V99 V103	V73-Y101 CarbonylContact O-C 3.54Å; V73-Y101 VanDerWaalsContact O-CA 3.26Å; V73-Y101 WeakPolarHBondContact O-CA 3.41Å; L91-Y101 HydrophobicContact CD2-CD2 4.27Å; L91-Y101 HydrophobicContact CD2-CE2 3.49Å; L91-Y101 VanDerWaalsContact CD2-CE2 3.49Å; L94-Y101 HydrophobicContact CB-CD1 3.77Å; L94-Y101 HydrophobicContact CB-CE1 3.79Å; L94-Y101 HydrophobicContact CD1-CD1 3.62Å; L94-Y101 HydrophobicContact CD1-CD2 4.29Å; L94-Y101 HydrophobicContact CD1-CE1 4.05Å; L94-Y101 HydrophobicContact CD1-CG 3.76Å; L94-Y101 HydrophobicContact CG-CD1 4.24Å; V95-Y101 HydrophobicContact CG2-CE1 4.4Å; V99-Y101 WeakPolarHBondContact O-CD1 3.32Å; Y101-V103 HydrophobicContact CD2-CG2 3.72Å; Y101-V103 HydrophobicContact CE2-CG2 3.67Å
102	K	98.1	Very high	96.1	Very high	95 Å²	95	52.5 Å²	52.5	41%	0.413	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.4	163.5	-60.7	-159.3	179.8	-176.6	0	110.2	V73 L75 F122 E126 F128	V73-K102 PolarHBondContact O-N 2.92Å; L75-K102 PolarHBondContact N-O 3Å; K102-F122 HydrophobicContact CB-CZ 4.19Å; K102-E126 VanDerWaalsContact CD-OE1 3.29Å; K102-E126 WeakPolarHBondContact CD-OE1 3.45Å; K102-E126 WeakPolarHBondContact CD-OE2 3.48Å; K102-E126 WeakPolarHBondContact CE-OE1 3.1Å; K102-E126 WeakPolarHBondContact CE-OE2 3.15Å; K102-E126 IonicContact NZ-OE1 2.6Å; K102-E126 PolarHBondContact NZ-OE1 2.61Å; K102-E126 IonicContact NZ-OE2 2.77Å; K102-E126 PolarHBondContact NZ-OE2 2.84Å; K102-F128 HydrophobicContact CB-CE1 4Å; K102-F128 HydrophobicContact CB-CZ 4.16Å; K102-F128 HydrophobicContact CG-CE1 4.31Å
103	V	97.9	Very high	96	Very high	54 Å²	54	48.6 Å²	48.6	33%	0.327	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.7	-177	-175.7	0	0	0	0	109.8	L75 L91 Y101 D105	L75-V103 HydrophobicContact CB-CG2 4.46Å; L75-V103 HydrophobicContact CD2-CG1 3.91Å; L75-V103 HydrophobicContact CD2-CG2 4.18Å; L75-V103 CarbonylContact O-C 3.28Å; L75-V103 WeakPolarHBondContact O-CA 3.32Å; L91-V103 HydrophobicContact CD2-CG2 4.25Å; Y101-V103 HydrophobicContact CD2-CG2 3.72Å; Y101-V103 HydrophobicContact CE2-CG2 3.67Å; V103-D105 HydrophobicContact CG1-CB 4.02Å
104	Y	97.8	Very high	95.9	Very high	19 Å²	19	50.5 Å²	50.5	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.4	160.2	178.4	-93.9	0	0	0	107.7	L75 M76 T77 N106 V107 A119 F122	L75-Y104 PolarHBondContact O-N 3.17Å; M76-Y104 CarbonylContact C-O 3.44Å; M76-Y104 VanDerWaalsContact CA-O 3.3Å; M76-Y104 WeakPolarHBondContact CA-O 3.41Å; M76-Y104 HydrophobicContact CG-CD1 4.43Å; M76-Y104 HydrophobicContact SD-CD1 4.35Å; T77-Y104 PolarHBondContact N-O 3.26Å; Y104-N106 HydrophobicContact CE1-CB 4.49Å; Y104-N106 HydrophobicContact CE2-CB 4.19Å; Y104-N106 PolarHBondContact OH-O 3.39Å; Y104-V107 HydrophobicContact CD1-CG2 3.87Å; Y104-V107 HydrophobicContact CE1-CG2 3.75Å; Y104-A119 HydrophobicContact CD1-CB 4.37Å; Y104-A119 HydrophobicContact CE1-CB 3.72Å; Y104-F122 HydrophobicContact CD2-CB 3.88Å; Y104-F122 HydrophobicContact CD2-CD1 4.08Å; Y104-F122 AromaticContact CD2-CD2 3.95Å; Y104-F122 HydrophobicContact CD2-CD2 3.95Å; Y104-F122 AromaticContact CD2-CG 3.7Å; Y104-F122 HydrophobicContact CD2-CG 3.7Å; Y104-F122 HydrophobicContact CE2-CB 4.21Å; Y104-F122 HydrophobicContact CE2-CG 4.49Å; Y104-F122 HydrophobicContact CG-CD1 4.19Å; Y104-F122 HydrophobicContact CG-CG 4.28Å
105	D	96.7	Very high	95.9	Very high	69 Å²	69	50.9 Å²	50.9	37%	0.369	28%	0.275	S	S	.	.			trans	-101.2	4.1	-176.4	54.1	-2	0	0	0	113.2	T77 D78 N79 V103 V107	T77-D105 HydrophobicContact CG2-CB 3.91Å; T77-D105 CarbonylContact O-C 3.54Å; T77-D105 VanDerWaalsContact O-C 3.22Å; T77-D105 VanDerWaalsContact O-CA 3.26Å; T77-D105 WeakPolarHBondContact O-CA 3.24Å; D78-D105 CarbonylContact C-O 3.59Å; D78-D105 VanDerWaalsContact C-O 3.28Å; D78-D105 WeakPolarHBondContact CA-O 3.47Å; N79-D105 VanDerWaalsContact CG-O 3.32Å; N79-D105 PolarHBondContact N-O 3.35Å; N79-D105 PolarHBondContact OD1-O 2.92Å; N79-D105 VanDerWaalsContact OD1-O 3.12Å; V103-D105 HydrophobicContact CG1-CB 4.02Å; D105-V107 VanDerWaalsContact C-N 3.32Å; D105-V107 PolarHBondContact O-N 3.22Å
106	N	95.7	Very high	95.9	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	25%	0.247	S	C	.	.			trans	-94.4	29.1	-177.8	-160.5	48.8	0	0	0	113.3	Y104 R108	Y104-N106 HydrophobicContact CE1-CB 4.49Å; Y104-N106 HydrophobicContact CE2-CB 4.19Å; Y104-N106 PolarHBondContact OH-O 3.39Å; N106-R108 PolarHBondContact O-N 2.88Å
107	V	97.4	Very high	95.9	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.048	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-66.8	130.8	173.1	176.5	0	0	0	0	109.9	T77 D78 Y104 D105 V139 T142	T77-V107 VanDerWaalsContact O-CB 3.3Å; T77-V107 WeakPolarHBondContact O-CB 3.05Å; T77-V107 WeakPolarHBondContact O-CG2 3.24Å; T77-V107 PolarHBondContact O-N 3.1Å; D78-V107 HydrophobicContact CB-CB 4.17Å; D78-V107 VanDerWaalsContact CB-O 3.3Å; D78-V107 WeakPolarHBondContact CB-O 3.25Å; Y104-V107 HydrophobicContact CD1-CG2 3.87Å; Y104-V107 HydrophobicContact CE1-CG2 3.75Å; D105-V107 VanDerWaalsContact C-N 3.32Å; D105-V107 PolarHBondContact O-N 3.22Å; V107-V139 HydrophobicContact CB-CG2 4.11Å; V107-V139 HydrophobicContact CG1-CG2 4.02Å; V107-V139 HydrophobicContact CG2-CG2 4.44Å; V107-T142 HydrophobicContact CG1-CG2 4.46Å; V107-T142 HydrophobicContact CG2-CG2 3.98Å
108	R	94.4	Very high	96	Very high	75 Å²	75	46.9 Å²	46.9	28%	0.283	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-80.9	132.6	174.1	-166.7	-166	-176.3	-73.6	-3.6	110.7	N106 E110 H349	N106-R108 PolarHBondContact O-N 2.88Å; R108-E110 PolarHBondContact NH1-O 3.44Å; R108-H349 PolarHBondContact NH1-NE2 3.39Å; R108-H349 PolarHBondContact NH2-CD2 2.93Å; R108-H349 PolarHBondContact NH2-CE1 2.86Å; R108-H349 PolarHBondContact NH2-ND1 2.94Å; R108-H349 PolarHBondContact NH2-NE2 3.11Å
109	V	90.3	Very high	96.1	Very high	31 Å²	31	44 Å²	44	19%	0.188	22%	0.218	C	C	.	.	S	Bend	trans	-62.8	133.7	165.6	176.7	0	0	0	0	108.9	V347	V109-V347 HydrophobicContact CB-CG1 4.16Å; V109-V347 HydrophobicContact CG1-CG1 4.29Å; V109-V347 HydrophobicContact CG2-CG1 4.48Å
110	E	88.4	Confident	96.1	Very high	27 Å²	27	44.1 Å²	44.1	13%	0.126	22%	0.218	C	C	.	.	S	Bend	trans	53.7	75.5	-168.4	-60.6	-64.7	166.3	0	0	110.4	R108 S138 K205 V351	R108-E110 PolarHBondContact NH1-O 3.44Å; E110-S138 PolarHBondContact N-OG 3.47Å; E110-K205 WeakPolarHBondContact OE2-CE 3.33Å; E110-K205 IonicContact OE2-NZ 2.83Å; E110-K205 PolarHBondContact OE2-NZ 2.79Å; E110-V351 HydrophobicContact CG-CG2 4.21Å
111	P	92.6	Very high	96.2	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.026	21%	0.209	C	C	.	.			trans	-65.2	148.6	-167.3	28.9	-35.8	0	0	0	111.4	F116 I196 F197 D198	P111-F116 HydrophobicContact CB-CD1 3.66Å; P111-F116 HydrophobicContact CB-CE1 3.33Å; P111-F116 HydrophobicContact CB-CZ 4.34Å; P111-F116 HydrophobicContact CG-CD1 4.26Å; P111-F116 HydrophobicContact CG-CE1 3.43Å; P111-F116 VanDerWaalsContact CG-CE1 3.43Å; P111-F116 HydrophobicContact CG-CZ 4.03Å; P111-I196 VanDerWaalsContact CG-O 3.27Å; P111-I196 WeakPolarHBondContact CG-O 3.37Å; P111-F197 HydrophobicContact CG-CB 4.35Å; P111-F197 CarbonylContact O-C 3.52Å; P111-F197 WeakPolarHBondContact O-CA 3.5Å; P111-F197 VanDerWaalsContact O-CB 3.28Å; P111-F197 WeakPolarHBondContact O-CB 3.22Å; P111-D198 PolarHBondContact O-N 3.29Å
112	T	94.8	Very high	96.2	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.043	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-104.7	170.2	177.2	58.2	0	0	0	0	110.8	S114 S115 F116 D198 E200	T112-S114 PolarHBondContact O-N 2.94Å; T112-S114 PolarHBondContact OG1-OG 3.13Å; T112-S115 PolarHBondContact N-OG 3.48Å; T112-S115 PolarHBondContact O-N 2.92Å; T112-S115 PolarHBondContact O-OG 3.2Å; T112-S115 PolarHBondContact OG1-N 3.3Å; T112-S115 PolarHBondContact OG1-OG 3.42Å; T112-F116 WeakPolarHBondContact O-CB 3.43Å; T112-F116 PolarHBondContact O-N 2.82Å; T112-D198 CarbonylContact C-O 3.52Å; T112-D198 VanDerWaalsContact CA-O 3.28Å; T112-D198 WeakPolarHBondContact CA-O 3.23Å; T112-D198 HydrophobicContact CG2-CB 4.37Å; T112-E200 HydrophobicContact CG2-CG 4.05Å
113	D	95.7	Very high	96.2	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.08	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-31.4	171.9	71.9	-78.5	0	0	0	112.9	K117 F157 F197 D198 F199 E200	D113-K117 VanDerWaalsContact O-CD 3.3Å; D113-K117 WeakPolarHBondContact O-CD 3.39Å; D113-K117 WeakPolarHBondContact O-CG 3.18Å; D113-K117 PolarHBondContact O-N 3.43Å; D113-K117 VanDerWaalsContact O-N 3.12Å; D113-K117 IonicContact OD2-NZ 3.55Å; D113-K117 PolarHBondContact OD2-NZ 3.43Å; D113-F157 HydrophobicContact CB-CE1 3.67Å; D113-F157 HydrophobicContact CB-CZ 3.9Å; D113-F197 HydrophobicContact CB-CD2 3.79Å; D113-F197 HydrophobicContact CB-CE2 3.63Å; D113-D198 PolarHBondContact N-O 3.29Å; D113-F199 HydrophobicContact CB-CD2 3.86Å; D113-F199 HydrophobicContact CB-CE2 4.4Å; D113-E200 PolarHBondContact OD1-N 2.85Å
114	S	96.8	Very high	96.1	Very high	41 Å²	41	36.6 Å²	36.6	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-50	171.2	46.7	0	0	0	0	112	T112 F116 K117 E118 E200	T112-S114 PolarHBondContact O-N 2.94Å; T112-S114 PolarHBondContact OG1-OG 3.13Å; S114-F116 VanDerWaalsContact C-N 3.32Å; S114-F116 PolarHBondContact O-N 2.72Å; S114-K117 WeakPolarHBondContact O-CB 3.49Å; S114-K117 PolarHBondContact O-N 2.76Å; S114-K117 VanDerWaalsContact O-N 3.1Å; S114-E118 PolarHBondContact O-N 3.23Å; S114-E200 WeakPolarHBondContact CB-OE2 3.29Å; S114-E200 PolarHBondContact OG-OE2 3.25Å
115	S	97.1	Very high	95.9	Very high	8 Å²	8	43.5 Å²	43.5	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-35.1	-179.8	78.5	0	0	0	0	112.3	T112 E118 A119	T112-S115 PolarHBondContact N-OG 3.48Å; T112-S115 PolarHBondContact O-N 2.92Å; T112-S115 PolarHBondContact O-OG 3.2Å; T112-S115 PolarHBondContact OG1-N 3.3Å; T112-S115 PolarHBondContact OG1-OG 3.42Å; S115-E118 PolarHBondContact O-N 3.41Å; S115-A119 PolarHBondContact O-N 2.9Å; S115-A119 VanDerWaalsContact O-N 3.13Å
116	F	97.6	Very high	95.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-47.5	170.4	-90.8	21.8	0	0	0	111.6	P111 T112 S114 E118 A119 I120 D141 T142 A145 F157 A195 F197	P111-F116 HydrophobicContact CB-CD1 3.66Å; P111-F116 HydrophobicContact CB-CE1 3.33Å; P111-F116 HydrophobicContact CB-CZ 4.34Å; P111-F116 HydrophobicContact CG-CD1 4.26Å; P111-F116 HydrophobicContact CG-CE1 3.43Å; P111-F116 VanDerWaalsContact CG-CE1 3.43Å; P111-F116 HydrophobicContact CG-CZ 4.03Å; T112-F116 WeakPolarHBondContact O-CB 3.43Å; T112-F116 PolarHBondContact O-N 2.82Å; S114-F116 VanDerWaalsContact C-N 3.32Å; S114-F116 PolarHBondContact O-N 2.72Å; F116-E118 VanDerWaalsContact C-N 3.27Å; F116-E118 PolarHBondContact O-N 2.7Å; F116-A119 PolarHBondContact O-N 3.14Å; F116-I120 WeakPolarHBondContact O-CB 3.35Å; F116-I120 WeakPolarHBondContact O-CD1 3.49Å; F116-I120 WeakPolarHBondContact O-CG1 3.37Å; F116-I120 PolarHBondContact O-N 2.98Å; F116-D141 HydrophobicContact CZ-CB 4.24Å; F116-T142 HydrophobicContact CD1-CG2 4.4Å; F116-T142 VanDerWaalsContact CE1-OG1 3.31Å; F116-T142 WeakPolarHBondContact CE1-OG1 3.44Å; F116-A145 HydrophobicContact CD2-CB 3.69Å; F116-A145 HydrophobicContact CE2-CB 3.71Å; F116-A145 HydrophobicContact CG-CB 4.2Å; F116-A145 HydrophobicContact CZ-CB 4.23Å; F116-F157 HydrophobicContact CB-CE2 3.94Å; F116-F157 HydrophobicContact CB-CZ 4.2Å; F116-F157 HydrophobicContact CD2-CE2 4.25Å; F116-F157 HydrophobicContact CD2-CZ 4.27Å; F116-A195 HydrophobicContact CZ-CB 4.49Å; F116-F197 HydrophobicContact CD1-CB 4.4Å; F116-F197 HydrophobicContact CD2-CB 4.03Å; F116-F197 AromaticContact CD2-CD1 3.76Å; F116-F197 HydrophobicContact CD2-CD1 3.76Å; F116-F197 HydrophobicContact CD2-CE1 4.45Å; F116-F197 AromaticContact CD2-CG 3.95Å; F116-F197 HydrophobicContact CD2-CG 3.95Å; F116-F197 HydrophobicContact CE1-CB 4.15Å; F116-F197 HydrophobicContact CE2-CB 3.75Å; F116-F197 AromaticContact CE2-CD1 3.48Å; F116-F197 HydrophobicContact CE2-CD1 3.48Å; F116-F197 VanDerWaalsContact CE2-CD1 3.48Å; F116-F197 HydrophobicContact CE2-CE1 4.39Å; F116-F197 AromaticContact CE2-CG 3.88Å; F116-F197 HydrophobicContact CE2-CG 3.88Å; F116-F197 HydrophobicContact CG-CB 4.35Å; F116-F197 HydrophobicContact CZ-CB 3.81Å; F116-F197 HydrophobicContact CZ-CD1 4.3Å; F116-F197 HydrophobicContact CZ-CG 4.44Å
117	K	97.8	Very high	95.5	Very high	89 Å²	89	45.6 Å²	45.6	39%	0.387	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-35.3	179.1	-72.8	163.1	-168.8	158.3	0	112.2	D113 S114 I120 A121 F157	D113-K117 VanDerWaalsContact O-CD 3.3Å; D113-K117 WeakPolarHBondContact O-CD 3.39Å; D113-K117 WeakPolarHBondContact O-CG 3.18Å; D113-K117 PolarHBondContact O-N 3.43Å; D113-K117 VanDerWaalsContact O-N 3.12Å; D113-K117 IonicContact OD2-NZ 3.55Å; D113-K117 PolarHBondContact OD2-NZ 3.43Å; S114-K117 WeakPolarHBondContact O-CB 3.49Å; S114-K117 PolarHBondContact O-N 2.76Å; S114-K117 VanDerWaalsContact O-N 3.1Å; K117-I120 PolarHBondContact O-N 3.39Å; K117-A121 VanDerWaalsContact O-CB 3.32Å; K117-A121 WeakPolarHBondContact O-CB 3.39Å; K117-A121 PolarHBondContact O-N 3.03Å; K117-F157 HydrophobicContact CG-CD2 3.98Å; K117-F157 HydrophobicContact CG-CE2 4.28Å; K117-F157 HydrophobicContact CG-CG 4.24Å
118	E	98.2	Very high	95.5	Very high	105 Å²	105	45.6 Å²	45.6	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-47.8	174.9	-71.2	176.8	-169.2	0	0	112.3	S114 S115 F116 I120 A121 F122	S114-E118 PolarHBondContact O-N 3.23Å; S115-E118 PolarHBondContact O-N 3.41Å; F116-E118 VanDerWaalsContact C-N 3.27Å; F116-E118 PolarHBondContact O-N 2.7Å; E118-I120 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.15Å; E118-A121 WeakPolarHBondContact O-CB 3.18Å; E118-A121 PolarHBondContact O-N 3.29Å; E118-F122 PolarHBondContact O-N 2.81Å
119	A	98.3	Very high	95.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-38.6	176.1	0	0	0	0	0	112.3	M76 Y104 S115 F116 F122 A123 T142 A146	M76-A119 HydrophobicContact CE-CB 4.49Å; Y104-A119 HydrophobicContact CD1-CB 4.37Å; Y104-A119 HydrophobicContact CE1-CB 3.72Å; S115-A119 PolarHBondContact O-N 2.9Å; S115-A119 VanDerWaalsContact O-N 3.13Å; F116-A119 PolarHBondContact O-N 3.14Å; A119-F122 WeakPolarHBondContact O-CB 3.34Å; A119-F122 PolarHBondContact O-N 2.92Å; A119-A123 WeakPolarHBondContact O-CB 3.47Å; A119-A123 PolarHBondContact O-N 2.87Å; A119-T142 HydrophobicContact CB-CG2 3.28Å; A119-A146 HydrophobicContact CB-CB 4.45Å
120	I	98.3	Very high	96	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-44.8	172.9	-68.6	161.7	0	0	0	110.4	F116 K117 E118 F122 A123 K124 Y149 F157	F116-I120 WeakPolarHBondContact O-CB 3.35Å; F116-I120 WeakPolarHBondContact O-CD1 3.49Å; F116-I120 WeakPolarHBondContact O-CG1 3.37Å; F116-I120 PolarHBondContact O-N 2.98Å; K117-I120 PolarHBondContact O-N 3.39Å; E118-I120 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.15Å; I120-F122 VanDerWaalsContact C-N 3.3Å; I120-F122 PolarHBondContact O-N 3.32Å; I120-A123 PolarHBondContact O-N 2.81Å; I120-K124 HydrophobicContact CG2-CD 4.14Å; I120-K124 HydrophobicContact CG2-CG 4.4Å; I120-K124 WeakPolarHBondContact O-CB 3.44Å; I120-K124 WeakPolarHBondContact O-CG 3.43Å; I120-K124 PolarHBondContact O-N 3.47Å; I120-Y149 HydrophobicContact CD1-CD2 3.34Å; I120-Y149 HydrophobicContact CD1-CE2 3.97Å; I120-Y149 HydrophobicContact CD1-CG 3.79Å; I120-Y149 HydrophobicContact CG1-CD2 3.95Å; I120-Y149 HydrophobicContact CG1-CG 4.25Å; I120-Y149 HydrophobicContact CG2-CG 4.31Å; I120-F157 HydrophobicContact CD1-CD2 3.94Å; I120-F157 HydrophobicContact CD1-CE2 4Å
121	A	97.8	Very high	96.5	Very high	48 Å²	48	41.6 Å²	41.6	40%	0.397	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-38.7	178	0	0	0	0	0	111.4	K117 E118 K124 K125	K117-A121 VanDerWaalsContact O-CB 3.32Å; K117-A121 WeakPolarHBondContact O-CB 3.39Å; K117-A121 PolarHBondContact O-N 3.03Å; E118-A121 WeakPolarHBondContact O-CB 3.18Å; E118-A121 PolarHBondContact O-N 3.29Å; A121-K124 PolarHBondContact O-N 3.26Å; A121-K125 WeakPolarHBondContact O-CG 3.25Å; A121-K125 PolarHBondContact O-N 2.93Å
122	F	97.9	Very high	96.8	Very high	40 Å²	40	41.4 Å²	41.4	18%	0.175	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-51.1	171.1	176.7	-92	0	0	0	111.6	M76 K102 Y104 E118 A119 I120 K124 K125 F128	M76-F122 HydrophobicContact CE-CD1 4.3Å; K102-F122 HydrophobicContact CB-CZ 4.19Å; Y104-F122 HydrophobicContact CD2-CB 3.88Å; Y104-F122 HydrophobicContact CD2-CD1 4.08Å; Y104-F122 AromaticContact CD2-CD2 3.95Å; Y104-F122 HydrophobicContact CD2-CD2 3.95Å; Y104-F122 AromaticContact CD2-CG 3.7Å; Y104-F122 HydrophobicContact CD2-CG 3.7Å; Y104-F122 HydrophobicContact CE2-CB 4.21Å; Y104-F122 HydrophobicContact CE2-CG 4.49Å; Y104-F122 HydrophobicContact CG-CD1 4.19Å; Y104-F122 HydrophobicContact CG-CG 4.28Å; E118-F122 PolarHBondContact O-N 2.81Å; A119-F122 WeakPolarHBondContact O-CB 3.34Å; A119-F122 PolarHBondContact O-N 2.92Å; I120-F122 VanDerWaalsContact C-N 3.3Å; I120-F122 PolarHBondContact O-N 3.32Å; F122-K124 PolarHBondContact O-N 3Å; F122-K125 WeakPolarHBondContact O-CB 3.34Å; F122-K125 PolarHBondContact O-N 3.48Å; F122-K125 VanDerWaalsContact O-N 3.12Å; F122-F128 HydrophobicContact CD1-CE2 4.38Å; F122-F128 HydrophobicContact CE1-CE2 4.04Å; F122-F128 AromaticContact CE1-CZ 3.86Å; F122-F128 HydrophobicContact CE1-CZ 3.86Å; F122-F128 HydrophobicContact CZ-CZ 4.23Å
123	A	97.8	Very high	97	Very high	1 Å²	1	41 Å²	41	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-27.8	-179.7	0	0	0	0	0	113.7	M76 A119 I120 Y131 A146 A150	M76-A123 HydrophobicContact CE-CB 4.45Å; A119-A123 WeakPolarHBondContact O-CB 3.47Å; A119-A123 PolarHBondContact O-N 2.87Å; I120-A123 PolarHBondContact O-N 2.81Å; A123-Y131 HydrophobicContact CB-CE1 4.12Å; A123-A146 HydrophobicContact CB-CB 3.9Å; A123-A150 HydrophobicContact CB-CB 4.08Å
124	K	96.3	Very high	97.1	Very high	90 Å²	90	40.3 Å²	40.3	39%	0.391	21%	0.206	S	C	.	.	H	α-helix	trans	-80.1	-17.6	175.9	-74.9	-174.4	177	-170.5	0	114.3	I120 A121 F122 E126 Y149 P153	I120-K124 HydrophobicContact CG2-CD 4.14Å; I120-K124 HydrophobicContact CG2-CG 4.4Å; I120-K124 WeakPolarHBondContact O-CB 3.44Å; I120-K124 WeakPolarHBondContact O-CG 3.43Å; I120-K124 PolarHBondContact O-N 3.47Å; A121-K124 PolarHBondContact O-N 3.26Å; F122-K124 PolarHBondContact O-N 3Å; K124-E126 PolarHBondContact O-N 3.3Å; K124-Y149 WeakPolarHBondContact CE-O 3.44Å; K124-P153 PolarHBondContact NZ-O 2.68Å
125	K	94.4	Very high	97.1	Very high	164 Å²	164	38.4 Å²	38.4	71%	0.713	19%	0.193	S	C	*	.	S	Bend	trans	-69.1	-22.9	-179.5	-78.3	169.6	-173.5	179.2	0	112.8	A121 F122	A121-K125 WeakPolarHBondContact O-CG 3.25Å; A121-K125 PolarHBondContact O-N 2.93Å; F122-K125 WeakPolarHBondContact O-CB 3.34Å; F122-K125 PolarHBondContact O-N 3.48Å; F122-K125 VanDerWaalsContact O-N 3.12Å
126	E	90.4	Very high	97.1	Very high	71 Å²	71	38.5 Å²	38.5	33%	0.332	20%	0.195	S	C	.	.	S	Bend	trans	-140.7	158.5	-173	-62	-172.1	-154.8	0	0	111.6	K102 K124 F128	K102-E126 VanDerWaalsContact CD-OE1 3.29Å; K102-E126 WeakPolarHBondContact CD-OE1 3.45Å; K102-E126 WeakPolarHBondContact CD-OE2 3.48Å; K102-E126 WeakPolarHBondContact CE-OE1 3.1Å; K102-E126 WeakPolarHBondContact CE-OE2 3.15Å; K102-E126 IonicContact NZ-OE1 2.6Å; K102-E126 PolarHBondContact NZ-OE1 2.61Å; K102-E126 IonicContact NZ-OE2 2.77Å; K102-E126 PolarHBondContact NZ-OE2 2.84Å; K124-E126 PolarHBondContact O-N 3.3Å; E126-F128 HydrophobicContact CB-CD2 4.4Å; E126-F128 HydrophobicContact CB-CE1 4.49Å; E126-F128 HydrophobicContact CB-CE2 3.91Å; E126-F128 HydrophobicContact CB-CZ 3.96Å; E126-F128 PolarHBondContact O-N 3.44Å
127	T	92.5	Very high	97	Very high	120 Å²	120	39 Å²	39	74%	0.736	20%	0.2	S	C	*	.			trans	-89.8	90.5	177.1	-51.3	0	0	0	0	109.5	N72	N72-T127 WeakPolarHBondContact CB-O 3.45Å; N72-T127 PolarHBondContact ND2-O 2.94Å
128	F	97.8	Very high	97	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.039	19%	0.189	C	C	.	.			trans	-81.5	137.4	169.2	-60.3	-69.1	0	0	0	110.9	N72 C74 K102 F122 E126 Y131	N72-F128 HydrophobicContact CB-CD1 4.45Å; N72-F128 WeakPolarHBondContact O-CA 3.39Å; C74-F128 HydrophobicContact CB-CB 3.98Å; C74-F128 HydrophobicContact CB-CD1 3.61Å; C74-F128 HydrophobicContact CB-CD2 3.82Å; C74-F128 HydrophobicContact CB-CE1 3.98Å; C74-F128 HydrophobicContact CB-CE2 4.17Å; C74-F128 HydrophobicContact CB-CG 3.53Å; C74-F128 HydrophobicContact CB-CZ 4.24Å; K102-F128 HydrophobicContact CB-CE1 4Å; K102-F128 HydrophobicContact CB-CZ 4.16Å; K102-F128 HydrophobicContact CG-CE1 4.31Å; F122-F128 HydrophobicContact CD1-CE2 4.38Å; F122-F128 HydrophobicContact CE1-CE2 4.04Å; F122-F128 AromaticContact CE1-CZ 3.86Å; F122-F128 HydrophobicContact CE1-CZ 3.86Å; F122-F128 HydrophobicContact CZ-CZ 4.23Å; E126-F128 HydrophobicContact CB-CD2 4.4Å; E126-F128 HydrophobicContact CB-CE1 4.49Å; E126-F128 HydrophobicContact CB-CE2 3.91Å; E126-F128 HydrophobicContact CB-CZ 3.96Å; E126-F128 PolarHBondContact O-N 3.44Å; F128-Y131 HydrophobicContact CB-CE2 4.27Å
129	D	96.8	Very high	97	Very high	40 Å²	40	30.8 Å²	30.8	21%	0.214	17%	0.165	C	C	.	.	S	Bend	trans	-101.4	-22.8	177	52.6	19.3	0	0	0	113.3	R71 N72 K176	R71-D129 WeakPolarHBondContact CA-OD2 3.47Å; R71-D129 VanDerWaalsContact CB-OD2 3.3Å; R71-D129 WeakPolarHBondContact CB-OD2 2.98Å; R71-D129 PolarHBondContact N-OD1 3.06Å; R71-D129 PolarHBondContact N-OD2 2.85Å; N72-D129 PolarHBondContact N-OD1 2.77Å; N72-D129 VanDerWaalsContact N-OD1 3.1Å; N72-D129 PolarHBondContact N-OD2 2.87Å; N72-D129 PolarHBondContact O-N 2.76Å; D129-K176 WeakPolarHBondContact O-CB 3.45Å
130	I	98.3	Very high	97	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.7	176.4	-55.6	-172.9	0	0	0	110.3	L65 M68 A70 V73 C74 P177	L65-I130 HydrophobicContact CD2-CB 4.1Å; L65-I130 HydrophobicContact CD2-CD1 3.95Å; L65-I130 HydrophobicContact CD2-CG2 3.51Å; M68-I130 HydrophobicContact CB-CD1 3.45Å; M68-I130 VanDerWaalsContact CB-CD1 3.45Å; M68-I130 HydrophobicContact CG-CD1 4.29Å; M68-I130 HydrophobicContact SD-CD1 3.91Å; A70-I130 HydrophobicContact CB-CD1 3.6Å; A70-I130 HydrophobicContact CB-CG1 4.23Å; V73-I130 WeakPolarHBondContact CA-O 3.12Å; C74-I130 PolarHBondContact N-O 2.91Å; I130-P177 HydrophobicContact CG1-CB 4.48Å; I130-P177 HydrophobicContact CG1-CG 4.42Å; I130-P177 HydrophobicContact CG2-CB 4.26Å
131	Y	98.8	Very high	97	Very high	3 Å²	3	31 Å²	31	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.2	175.1	-68.9	-100.6	0	0	0	111.1	C74 A123 F128 N147 A150 K176 P177 L178 I179	C74-Y131 HydrophobicContact CB-CD1 3.51Å; C74-Y131 HydrophobicContact CB-CE1 3.65Å; C74-Y131 HydrophobicContact CB-CG 4.16Å; C74-Y131 CarbonylContact O-C 3.53Å; C74-Y131 WeakPolarHBondContact O-CA 3.42Å; A123-Y131 HydrophobicContact CB-CE1 4.12Å; F128-Y131 HydrophobicContact CB-CE2 4.27Å; Y131-N147 HydrophobicContact CD1-CB 4.1Å; Y131-N147 HydrophobicContact CD2-CB 3.75Å; Y131-N147 VanDerWaalsContact CD2-CG 3.47Å; Y131-N147 HydrophobicContact CE1-CB 4.14Å; Y131-N147 HydrophobicContact CE2-CB 3.79Å; Y131-N147 WeakPolarHBondContact CE2-OD1 3.18Å; Y131-N147 HydrophobicContact CG-CB 3.92Å; Y131-A150 VanDerWaalsContact OH-CB 3.23Å; Y131-A150 WeakPolarHBondContact OH-CB 3.47Å; Y131-K176 HydrophobicContact CD2-CB 3.8Å; Y131-K176 HydrophobicContact CD2-CG 4.44Å; Y131-K176 HydrophobicContact CE2-CB 3.82Å; Y131-K176 HydrophobicContact CE2-CG 3.98Å; Y131-P177 PolarHBondContact N-O 2.92Å; Y131-L178 WeakPolarHBondContact O-CA 3.4Å; Y131-I179 PolarHBondContact O-N 3.21Å
132	V	98.8	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.2	172.6	-179.4	0	0	0	0	108.2	L65 V73 C74 L75 M76 V90 V134 I179	L65-V132 HydrophobicContact CD1-CG2 4.13Å; L65-V132 HydrophobicContact CD2-CG2 4.23Å; V73-V132 HydrophobicContact CG1-CB 4.31Å; V73-V132 HydrophobicContact CG1-CG2 3.64Å; C74-V132 PolarHBondContact O-N 3.49Å; L75-V132 CarbonylContact C-O 3.54Å; L75-V132 WeakPolarHBondContact CA-O 3.28Å; M76-V132 PolarHBondContact N-O 3.36Å; V90-V132 HydrophobicContact CG1-CG1 4.19Å; V132-V134 HydrophobicContact CG1-CG2 4Å; V132-I179 CarbonylContact C-O 3.53Å; V132-I179 VanDerWaalsContact CA-O 3.31Å; V132-I179 WeakPolarHBondContact CA-O 3.47Å; V132-I179 HydrophobicContact CG2-CB 4.39Å
133	A	98.8	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	175.2	0	0	0	0	0	109.5	V139 I140 C143 L178 I179 V181	A133-V139 HydrophobicContact CB-CG1 4.23Å; A133-I140 HydrophobicContact CB-CB 4.46Å; A133-I140 HydrophobicContact CB-CG1 4.09Å; A133-C143 HydrophobicContact CB-CB 3.68Å; A133-L178 HydrophobicContact CB-CD1 4.18Å; A133-I179 PolarHBondContact N-O 3.43Å; A133-V181 PolarHBondContact O-N 3.37Å
134	V	98.6	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	101.6	177.2	-170.3	0	0	0	0	109	M76 T77 P86 V87 V90 V132 V181 T183	M76-V134 PolarHBondContact O-N 3.06Å; T77-V134 WeakPolarHBondContact CB-O 3.31Å; T77-V134 PolarHBondContact OG1-O 3.19Å; P86-V134 HydrophobicContact CB-CG1 4.04Å; V87-V134 HydrophobicContact CG2-CB 4.2Å; V87-V134 HydrophobicContact CG2-CG1 3.8Å; V90-V134 HydrophobicContact CB-CG2 4.2Å; V90-V134 HydrophobicContact CG1-CG2 4.3Å; V90-V134 HydrophobicContact CG2-CG1 4.44Å; V90-V134 HydrophobicContact CG2-CG2 3.65Å; V132-V134 HydrophobicContact CG1-CG2 4Å; V134-V181 HydrophobicContact CB-CB 4.44Å; V134-V181 HydrophobicContact CG1-CB 4.2Å; V134-V181 HydrophobicContact CG1-CG1 4.29Å; V134-V181 HydrophobicContact CG2-CB 4.23Å; V134-V181 HydrophobicContact CG2-CG2 4.23Å; V134-T183 HydrophobicContact CG1-CG2 4.39Å
135	G	97.7	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.2	-165	-179.7	0	0	0	0	0	115.3	V181 P182 T183	G135-V181 PolarHBondContact N-O 3.5Å; G135-P182 WeakPolarHBondContact O-CA 3.35Å; G135-T183 VanDerWaalsContact CA-OG1 3.28Å; G135-T183 WeakPolarHBondContact CA-OG1 3.48Å; G135-T183 PolarHBondContact O-N 3.31Å; G135-T183 PolarHBondContact O-OG1 3.41Å
136	G	95.9	Very high	97.4	Very high	11 Å²	11	14.7 Å²	14.7	11%	0.113	9%	0.087	C	C	.	.	S	Bend	trans	-76.7	-170.3	173.5	0	0	0	0	0	112.3	S138 V139 I140 T183 T184	G136-S138 VanDerWaalsContact C-N 3.25Å; G136-S138 PolarHBondContact O-N 3.19Å; G136-V139 PolarHBondContact O-N 3.44Å; G136-V139 VanDerWaalsContact O-N 3.14Å; G136-I140 PolarHBondContact O-N 3.42Å; G136-T183 PolarHBondContact N-OG1 3.25Å; G136-T184 WeakPolarHBondContact CA-OG1 3.37Å
137	G	96.4	Very high	97.8	Very high	9 Å²	9	11.5 Å²	11.5	9%	0.093	7%	0.072	C	C	.	.	H	α-helix	trans	-53.7	-38.1	178.9	0	0	0	0	0	114.2	V139 I140 D141 T187	G137-V139 PolarHBondContact O-N 2.96Å; G137-I140 PolarHBondContact O-N 2.82Å; G137-D141 WeakPolarHBondContact O-CB 3.35Å; G137-D141 PolarHBondContact O-N 2.96Å; G137-T187 WeakPolarHBondContact CA-OG1 3.49Å
138	S	96.5	Very high	98.1	Very high	22 Å²	22	5.8 Å²	5.8	15%	0.154	4%	0.037	C	C	.	.	H	α-helix	trans	-58.8	-46.3	177.7	-55	0	0	0	0	112.7	E110 G136 T142	E110-S138 PolarHBondContact N-OG 3.47Å; G136-S138 VanDerWaalsContact C-N 3.25Å; G136-S138 PolarHBondContact O-N 3.19Å; S138-T142 WeakPolarHBondContact O-CB 3.38Å; S138-T142 PolarHBondContact O-N 3.36Å; S138-T142 PolarHBondContact O-OG1 3.47Å
139	V	98.4	Very high	98.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.5	-48.5	177.3	176.6	0	0	0	0	111.5	M76 D78 V107 A133 G136 G137 D141 T142 C143	M76-V139 HydrophobicContact CB-CG1 4.45Å; M76-V139 WeakPolarHBondContact O-CG1 3.43Å; D78-V139 HydrophobicContact CB-CG2 4.07Å; V107-V139 HydrophobicContact CB-CG2 4.11Å; V107-V139 HydrophobicContact CG1-CG2 4.02Å; V107-V139 HydrophobicContact CG2-CG2 4.44Å; A133-V139 HydrophobicContact CB-CG1 4.23Å; G136-V139 PolarHBondContact O-N 3.44Å; G136-V139 VanDerWaalsContact O-N 3.14Å; G137-V139 PolarHBondContact O-N 2.96Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 3.14Å; V139-T142 PolarHBondContact O-N 3.44Å; V139-C143 WeakPolarHBondContact O-CB 3.33Å; V139-C143 PolarHBondContact O-N 2.95Å
140	I	98.7	Very high	98.1	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-65	-42.4	-177.3	-59.2	168.7	0	0	0	110.1	A133 G136 G137 C143 K144 A180 P182 S189 E190 P215	A133-I140 HydrophobicContact CB-CB 4.46Å; A133-I140 HydrophobicContact CB-CG1 4.09Å; G136-I140 PolarHBondContact O-N 3.42Å; G137-I140 PolarHBondContact O-N 2.82Å; I140-C143 PolarHBondContact O-N 3.43Å; I140-K144 HydrophobicContact CG2-CD 4.38Å; I140-K144 VanDerWaalsContact O-CG 3.29Å; I140-K144 WeakPolarHBondContact O-CG 3.31Å; I140-K144 PolarHBondContact O-N 3Å; I140-A180 HydrophobicContact CD1-CB 4.27Å; I140-A180 HydrophobicContact CG1-CB 4.31Å; I140-A180 HydrophobicContact CG2-CB 4.06Å; I140-P182 HydrophobicContact CD1-CB 4.42Å; I140-S189 WeakPolarHBondContact CB-OG 3.44Å; I140-S189 VanDerWaalsContact CG2-OG 3.22Å; I140-S189 WeakPolarHBondContact CG2-OG 3.35Å; I140-E190 HydrophobicContact CD1-CB 4.33Å; I140-P215 HydrophobicContact CG2-CG 4.48Å
141	D	98.5	Very high	98	Very high	16 Å²	16	6.3 Å²	6.3	9%	0.086	5%	0.046	C	C	.	.	H	α-helix	trans	-67.1	-42	179.4	-72.1	7.2	0	0	0	112.2	F116 G137 V139 C143 K144 A145 S189 A195 I196	F116-D141 HydrophobicContact CZ-CB 4.24Å; G137-D141 WeakPolarHBondContact O-CB 3.35Å; G137-D141 PolarHBondContact O-N 2.96Å; V139-D141 VanDerWaalsContact C-N 3.34Å; V139-D141 PolarHBondContact O-N 3.14Å; D141-C143 VanDerWaalsContact C-N 3.32Å; D141-C143 PolarHBondContact O-N 2.94Å; D141-K144 PolarHBondContact O-N 3.4Å; D141-K144 IonicContact OD1-NZ 2.73Å; D141-A145 PolarHBondContact O-N 2.94Å; D141-S189 PolarHBondContact OD1-OG 2.92Å; D141-A195 HydrophobicContact CB-CB 3.94Å; D141-A195 WeakPolarHBondContact OD2-CA 3.35Å; D141-I196 PolarHBondContact OD2-N 3.37Å
142	T	98.7	Very high	97.9	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-42.1	172.5	-64.2	0	0	0	0	111.4	M76 V107 F116 A119 S138 V139 A145 A146	M76-T142 HydrophobicContact SD-CG2 4.5Å; V107-T142 HydrophobicContact CG1-CG2 4.46Å; V107-T142 HydrophobicContact CG2-CG2 3.98Å; F116-T142 HydrophobicContact CD1-CG2 4.4Å; F116-T142 VanDerWaalsContact CE1-OG1 3.31Å; F116-T142 WeakPolarHBondContact CE1-OG1 3.44Å; A119-T142 HydrophobicContact CB-CG2 3.28Å; S138-T142 WeakPolarHBondContact O-CB 3.38Å; S138-T142 PolarHBondContact O-N 3.36Å; S138-T142 PolarHBondContact O-OG1 3.47Å; V139-T142 PolarHBondContact O-N 3.44Å; T142-A145 PolarHBondContact O-N 2.87Å; T142-A146 WeakPolarHBondContact O-CB 3.23Å; T142-A146 PolarHBondContact O-N 2.68Å
143	C	98.8	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-39.9	178.9	-162.6	0	0	0	0	112.7	M76 A133 V139 I140 D141 A145 A146 N147 L178	M76-C143 HydrophobicContact CB-CB 4.19Å; M76-C143 HydrophobicContact CG-CB 4.33Å; M76-C143 VanDerWaalsContact SD-CA 3.58Å; M76-C143 HydrophobicContact SD-CB 3.85Å; A133-C143 HydrophobicContact CB-CB 3.68Å; V139-C143 WeakPolarHBondContact O-CB 3.33Å; V139-C143 PolarHBondContact O-N 2.95Å; I140-C143 PolarHBondContact O-N 3.43Å; D141-C143 VanDerWaalsContact C-N 3.32Å; D141-C143 PolarHBondContact O-N 2.94Å; C143-A145 VanDerWaalsContact C-N 3.35Å; C143-A145 PolarHBondContact O-N 3.47Å; C143-A146 PolarHBondContact O-N 2.93Å; C143-N147 WeakPolarHBondContact O-CB 3.23Å; C143-N147 PolarHBondContact O-N 3.3Å; C143-L178 HydrophobicContact CB-CD1 4.42Å
144	K	98.7	Very high	97.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.2	-47.2	171.6	-73.6	169.2	174.1	163.2	0	111.5	I140 D141 L148 L178 S189 T192 V194 A195 I213	I140-K144 HydrophobicContact CG2-CD 4.38Å; I140-K144 VanDerWaalsContact O-CG 3.29Å; I140-K144 WeakPolarHBondContact O-CG 3.31Å; I140-K144 PolarHBondContact O-N 3Å; D141-K144 PolarHBondContact O-N 3.4Å; D141-K144 IonicContact OD1-NZ 2.73Å; K144-L148 VanDerWaalsContact O-CB 3.32Å; K144-L148 WeakPolarHBondContact O-CB 3.27Å; K144-L148 PolarHBondContact O-N 3.22Å; K144-L178 HydrophobicContact CG-CD2 3.68Å; K144-S189 WeakPolarHBondContact CE-O 3.4Å; K144-S189 PolarHBondContact NZ-O 3.24Å; K144-S189 PolarHBondContact NZ-OG 3.39Å; K144-T192 VanDerWaalsContact CE-O 3.29Å; K144-T192 WeakPolarHBondContact CE-O 3.36Å; K144-T192 PolarHBondContact NZ-O 2.99Å; K144-V194 WeakPolarHBondContact CD-O 3.39Å; K144-V194 PolarHBondContact NZ-O 3.24Å; K144-A195 HydrophobicContact CB-CB 4.2Å; K144-A195 HydrophobicContact CD-CB 4.32Å; K144-I213 HydrophobicContact CB-CB 4.43Å; K144-I213 HydrophobicContact CB-CD1 4.37Å; K144-I213 HydrophobicContact CD-CD1 4.31Å; K144-I213 WeakPolarHBondContact CG-O 3.38Å
145	A	98.4	Very high	97.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-64.3	-47.9	178.2	0	0	0	0	0	111.2	F116 D141 T142 C143 N147 L148 Y149	F116-A145 HydrophobicContact CD2-CB 3.69Å; F116-A145 HydrophobicContact CE2-CB 3.71Å; F116-A145 HydrophobicContact CG-CB 4.2Å; F116-A145 HydrophobicContact CZ-CB 4.23Å; D141-A145 PolarHBondContact O-N 2.94Å; T142-A145 PolarHBondContact O-N 2.87Å; C143-A145 VanDerWaalsContact C-N 3.35Å; C143-A145 PolarHBondContact O-N 3.47Å; A145-N147 PolarHBondContact O-N 3.22Å; A145-L148 PolarHBondContact O-N 3.39Å; A145-Y149 VanDerWaalsContact O-CD2 3.24Å; A145-Y149 WeakPolarHBondContact O-CD2 3.45Å; A145-Y149 PolarHBondContact O-N 3.34Å
146	A	98.5	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-48.6	178.4	0	0	0	0	0	112.3	M76 A119 A123 T142 C143 A150	M76-A146 HydrophobicContact CE-CB 3.37Å; M76-A146 HydrophobicContact SD-CB 3.94Å; A119-A146 HydrophobicContact CB-CB 4.45Å; A123-A146 HydrophobicContact CB-CB 3.9Å; T142-A146 WeakPolarHBondContact O-CB 3.23Å; T142-A146 PolarHBondContact O-N 2.68Å; C143-A146 PolarHBondContact O-N 2.93Å; A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.48Å
147	N	98.6	Very high	97.2	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-47.8	175.4	-176.7	4.9	0	0	0	111.8	Y131 C143 A145 Y149 A150 C151 K176	Y131-N147 HydrophobicContact CD1-CB 4.1Å; Y131-N147 HydrophobicContact CD2-CB 3.75Å; Y131-N147 VanDerWaalsContact CD2-CG 3.47Å; Y131-N147 HydrophobicContact CE1-CB 4.14Å; Y131-N147 HydrophobicContact CE2-CB 3.79Å; Y131-N147 WeakPolarHBondContact CE2-OD1 3.18Å; Y131-N147 HydrophobicContact CG-CB 3.92Å; C143-N147 WeakPolarHBondContact O-CB 3.23Å; C143-N147 PolarHBondContact O-N 3.3Å; A145-N147 PolarHBondContact O-N 3.22Å; N147-Y149 PolarHBondContact O-N 2.94Å; N147-A150 PolarHBondContact O-N 3.38Å; N147-C151 PolarHBondContact O-N 3.4Å; N147-K176 PolarHBondContact ND2-O 3.34Å; N147-K176 WeakPolarHBondContact OD1-CB 3.46Å; N147-K176 PolarHBondContact OD1-N 2.97Å; N147-K176 VanDerWaalsContact OD1-N 3.16Å
148	L	98.4	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-55.6	-52.9	179.5	174.5	59.6	0	0	0	112.4	K144 A145 C151 H152 F160 I171 L175 I208 I213	K144-L148 VanDerWaalsContact O-CB 3.32Å; K144-L148 WeakPolarHBondContact O-CB 3.27Å; K144-L148 PolarHBondContact O-N 3.22Å; A145-L148 PolarHBondContact O-N 3.39Å; L148-C151 PolarHBondContact O-N 2.89Å; L148-H152 PolarHBondContact O-N 3.5Å; L148-H152 PolarHBondContact O-ND1 3.36Å; L148-F160 HydrophobicContact CD1-CD2 4.16Å; L148-F160 HydrophobicContact CD1-CE2 4.1Å; L148-F160 HydrophobicContact CD2-CB 3.93Å; L148-F160 HydrophobicContact CD2-CD2 3.61Å; L148-F160 HydrophobicContact CD2-CE2 4.35Å; L148-F160 HydrophobicContact CD2-CG 3.92Å; L148-F160 HydrophobicContact CG-CD2 3.84Å; L148-F160 HydrophobicContact CG-CE2 4.1Å; L148-I171 HydrophobicContact CD1-CD1 3.69Å; L148-I171 HydrophobicContact CD1-CG1 4.11Å; L148-I171 HydrophobicContact CD1-CG2 3.7Å; L148-I171 HydrophobicContact CD2-CD1 3.81Å; L148-I171 HydrophobicContact CG-CD1 4.42Å; L148-L175 HydrophobicContact CB-CD2 4.07Å; L148-L175 HydrophobicContact CD1-CD1 4.03Å; L148-L175 HydrophobicContact CD1-CD2 4.16Å; L148-L175 HydrophobicContact CD1-CG 4.43Å; L148-I208 HydrophobicContact CD2-CD1 4.04Å; L148-I208 HydrophobicContact CD2-CG2 4.01Å; L148-I213 HydrophobicContact CB-CG2 4.3Å; L148-I213 HydrophobicContact CD1-CG2 4.33Å; L148-I213 HydrophobicContact CD2-CG2 4.06Å; L148-I213 HydrophobicContact CG-CG2 4.47Å
149	Y	97.6	Very high	97.2	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-79	-22.2	-175.9	-71.3	-83.3	0	0	0	113.1	I120 K124 A145 N147 C151 H152 A155 D156 F157 F160 I208	I120-Y149 HydrophobicContact CD1-CD2 3.34Å; I120-Y149 HydrophobicContact CD1-CE2 3.97Å; I120-Y149 HydrophobicContact CD1-CG 3.79Å; I120-Y149 HydrophobicContact CG1-CD2 3.95Å; I120-Y149 HydrophobicContact CG1-CG 4.25Å; I120-Y149 HydrophobicContact CG2-CG 4.31Å; K124-Y149 WeakPolarHBondContact CE-O 3.44Å; A145-Y149 VanDerWaalsContact O-CD2 3.24Å; A145-Y149 WeakPolarHBondContact O-CD2 3.45Å; A145-Y149 PolarHBondContact O-N 3.34Å; N147-Y149 PolarHBondContact O-N 2.94Å; Y149-C151 VanDerWaalsContact C-N 3.34Å; Y149-H152 CarbonylContact O-C 3.53Å; Y149-H152 VanDerWaalsContact O-C 3.23Å; Y149-H152 PolarHBondContact O-N 2.95Å; Y149-A155 HydrophobicContact CD1-CB 4.37Å; Y149-A155 HydrophobicContact CE1-CB 4.47Å; Y149-D156 WeakPolarHBondContact CE1-O 3.43Å; Y149-F157 HydrophobicContact CE2-CD2 4.32Å; Y149-F157 PolarHBondContact OH-O 3.03Å; Y149-F160 HydrophobicContact CD1-CD2 4.27Å; Y149-F160 HydrophobicContact CD1-CE2 4.35Å; Y149-F160 AromaticContact CE1-CD2 3.63Å; Y149-F160 HydrophobicContact CE1-CD2 3.63Å; Y149-F160 HydrophobicContact CE1-CE2 4.08Å; Y149-F160 HydrophobicContact CE2-CD2 4.44Å; Y149-F160 AromaticContact CZ-CD2 3.71Å; Y149-I208 HydrophobicContact CE2-CD1 3.78Å
150	A	97.1	Very high	97.1	Very high	26 Å²	26	27.6 Å²	27.6	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-36.3	168.3	0	0	0	0	0	111.6	A123 Y131 A146 N147 H152	A123-A150 HydrophobicContact CB-CB 4.08Å; Y131-A150 VanDerWaalsContact OH-CB 3.23Å; Y131-A150 WeakPolarHBondContact OH-CB 3.47Å; A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.48Å; N147-A150 PolarHBondContact O-N 3.38Å; A150-H152 VanDerWaalsContact C-N 3.29Å; A150-H152 PolarHBondContact O-N 3.49Å
151	C	96.9	Very high	96.9	Very high	35 Å²	35	27.6 Å²	27.6	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-76.1	-13.4	173.6	-72.5	0	0	0	0	114.3	N147 L148 Y149	N147-C151 PolarHBondContact O-N 3.4Å; L148-C151 PolarHBondContact O-N 2.89Å; Y149-C151 VanDerWaalsContact C-N 3.34Å
152	H	96.6	Very high	96.5	Very high	31 Å²	31	27.8 Å²	27.8	14%	0.144	16%	0.158	C	C	.	.			trans	-130	69.2	178.8	-58.5	83.2	0	0	0	109.8	L148 Y149 A150 D154 A155 F160 G173	L148-H152 PolarHBondContact O-N 3.5Å; L148-H152 PolarHBondContact O-ND1 3.36Å; Y149-H152 CarbonylContact O-C 3.53Å; Y149-H152 VanDerWaalsContact O-C 3.23Å; Y149-H152 PolarHBondContact O-N 2.95Å; A150-H152 VanDerWaalsContact C-N 3.29Å; A150-H152 PolarHBondContact O-N 3.49Å; H152-D154 PolarHBondContact O-N 2.59Å; H152-D154 VanDerWaalsContact O-N 3.16Å; H152-A155 HydrophobicContact CB-CB 3.92Å; H152-A155 WeakPolarHBondContact O-CB 3.45Å; H152-A155 PolarHBondContact O-N 2.76Å; H152-A155 VanDerWaalsContact O-N 3.09Å; H152-F160 HydrophobicContact CB-CE2 3.95Å; H152-F160 HydrophobicContact CB-CZ 4.01Å; H152-F160 AromaticContact CD2-CZ 3.88Å; H152-F160 AromaticContact CG-CZ 3.8Å; H152-G173 WeakPolarHBondContact NE2-CA 3.5Å; H152-G173 PolarHBondContact NE2-N 3.05Å
153	P	92.3	Very high	96	Very high	75 Å²	75	30.5 Å²	30.5	49%	0.487	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.2	-170	23	-33.9	0	0	0	113.6	K124	K124-P153 PolarHBondContact NZ-O 2.68Å
154	D	93.3	Very high	95.4	Very high	159 Å²	159	34.7 Å²	34.7	85%	0.85	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.3	-178.2	-53.8	-44.2	0	0	0	114	H152	H152-D154 PolarHBondContact O-N 2.59Å; H152-D154 VanDerWaalsContact O-N 3.16Å
155	A	95.9	Very high	94.9	Very high	19 Å²	19	36.1 Å²	36.1	16%	0.157	22%	0.215	C	C	.	.			trans	-77.1	136.4	-179.3	0	0	0	0	0	111.9	Y149 H152 D159 F160	Y149-A155 HydrophobicContact CD1-CB 4.37Å; Y149-A155 HydrophobicContact CE1-CB 4.47Å; H152-A155 HydrophobicContact CB-CB 3.92Å; H152-A155 WeakPolarHBondContact O-CB 3.45Å; H152-A155 PolarHBondContact O-N 2.76Å; H152-A155 VanDerWaalsContact O-N 3.09Å; A155-D159 HydrophobicContact CB-CB 4.45Å; A155-F160 HydrophobicContact CB-CE2 3.61Å; A155-F160 HydrophobicContact CB-CZ 3.95Å
156	D	96.5	Very high	94.5	Very high	96 Å²	96	36.7 Å²	36.7	51%	0.513	22%	0.221	S	C	.	.			trans	-66.2	147.2	167.8	-69.4	-43	0	0	0	109.9	Y149 L158 D159 K167	Y149-D156 WeakPolarHBondContact CE1-O 3.43Å; D156-L158 PolarHBondContact O-N 3.1Å; D156-L158 VanDerWaalsContact O-N 3.1Å; D156-D159 PolarHBondContact N-OD2 2.81Å; D156-D159 VanDerWaalsContact O-CB 3.23Å; D156-D159 WeakPolarHBondContact O-CB 3.14Å; D156-D159 PolarHBondContact O-N 3.12Å; D156-K167 IonicContact OD2-NZ 2.9Å; D156-K167 PolarHBondContact OD2-NZ 3.05Å
157	F	96.6	Very high	94.3	Very high	29 Å²	29	41.8 Å²	41.8	13%	0.127	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.4	177.1	179.5	-104.3	0	0	0	112.8	D113 F116 K117 I120 Y149 D159 V161 F197	D113-F157 HydrophobicContact CB-CE1 3.67Å; D113-F157 HydrophobicContact CB-CZ 3.9Å; F116-F157 HydrophobicContact CB-CE2 3.94Å; F116-F157 HydrophobicContact CB-CZ 4.2Å; F116-F157 HydrophobicContact CD2-CE2 4.25Å; F116-F157 HydrophobicContact CD2-CZ 4.27Å; K117-F157 HydrophobicContact CG-CD2 3.98Å; K117-F157 HydrophobicContact CG-CE2 4.28Å; K117-F157 HydrophobicContact CG-CG 4.24Å; I120-F157 HydrophobicContact CD1-CD2 3.94Å; I120-F157 HydrophobicContact CD1-CE2 4Å; Y149-F157 HydrophobicContact CE2-CD2 4.32Å; Y149-F157 PolarHBondContact OH-O 3.03Å; F157-D159 VanDerWaalsContact C-N 3.29Å; F157-D159 PolarHBondContact O-N 2.86Å; F157-V161 HydrophobicContact CE1-CG2 4.36Å; F157-V161 WeakPolarHBondContact O-CG2 3.49Å; F157-F197 AromaticContact CE1-CE2 3.97Å; F157-F197 HydrophobicContact CE1-CE2 3.97Å; F157-F197 AromaticContact CE1-CZ 3.82Å; F157-F197 HydrophobicContact CE1-CZ 3.82Å; F157-F197 HydrophobicContact CZ-CE1 4.2Å; F157-F197 AromaticContact CZ-CE2 3.99Å; F157-F197 HydrophobicContact CZ-CE2 3.99Å; F157-F197 AromaticContact CZ-CZ 3.81Å; F157-F197 HydrophobicContact CZ-CZ 3.81Å
158	L	96.5	Very high	93.9	Very high	57 Å²	57	44.1 Å²	44.1	30%	0.298	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.3	-179.4	-64.5	-179.8	0	0	0	114.6	D156 V161 G166 K167 F199	D156-L158 PolarHBondContact O-N 3.1Å; D156-L158 VanDerWaalsContact O-N 3.1Å; L158-V161 HydrophobicContact CD2-CB 4.28Å; L158-V161 HydrophobicContact CD2-CG1 4.41Å; L158-V161 HydrophobicContact CD2-CG2 4.18Å; L158-G166 WeakPolarHBondContact O-CA 3.32Å; L158-K167 PolarHBondContact O-N 3.36Å; L158-F199 HydrophobicContact CD2-CE2 4.29Å; L158-F199 HydrophobicContact CD2-CZ 4.49Å
159	D	96.4	Very high	93.6	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.064	28%	0.281	C	S	.	.	S	Bend	trans	-62.4	-48	-177.5	-87.3	-5.7	0	0	0	112.5	A155 D156 F157 K167 A168 K169	A155-D159 HydrophobicContact CB-CB 4.45Å; D156-D159 PolarHBondContact N-OD2 2.81Å; D156-D159 VanDerWaalsContact O-CB 3.23Å; D156-D159 WeakPolarHBondContact O-CB 3.14Å; D156-D159 PolarHBondContact O-N 3.12Å; F157-D159 VanDerWaalsContact C-N 3.29Å; F157-D159 PolarHBondContact O-N 2.86Å; D159-K167 VanDerWaalsContact OD1-CD 3.25Å; D159-K167 WeakPolarHBondContact OD1-CD 3.35Å; D159-K167 WeakPolarHBondContact OD1-CE 3.2Å; D159-K167 IonicContact OD1-NZ 3.11Å; D159-K167 PolarHBondContact OD1-NZ 2.7Å; D159-A168 PolarHBondContact O-N 3.32Å; D159-K169 HydrophobicContact CB-CD 3.92Å; D159-K169 WeakPolarHBondContact O-CB 3.43Å; D159-K169 PolarHBondContact O-N 2.87Å; D159-K169 VanDerWaalsContact OD1-CE 3.31Å; D159-K169 WeakPolarHBondContact OD1-CE 3.4Å; D159-K169 IonicContact OD1-NZ 3.38Å; D159-K169 PolarHBondContact OD1-NZ 3.12Å; D159-K169 IonicContact OD2-NZ 2.7Å; D159-K169 PolarHBondContact OD2-NZ 3.15Å
160	F	96	Very high	93.3	Very high	15 Å²	15	52 Å²	52	7%	0.066	31%	0.305	C	S	.	.	S	Bend	trans	-94	-8.9	-177.3	-53	-58.2	0	0	0	113.7	L148 Y149 H152 A155 K169 I171 I208	L148-F160 HydrophobicContact CD1-CD2 4.16Å; L148-F160 HydrophobicContact CD1-CE2 4.1Å; L148-F160 HydrophobicContact CD2-CB 3.93Å; L148-F160 HydrophobicContact CD2-CD2 3.61Å; L148-F160 HydrophobicContact CD2-CE2 4.35Å; L148-F160 HydrophobicContact CD2-CG 3.92Å; L148-F160 HydrophobicContact CG-CD2 3.84Å; L148-F160 HydrophobicContact CG-CE2 4.1Å; Y149-F160 HydrophobicContact CD1-CD2 4.27Å; Y149-F160 HydrophobicContact CD1-CE2 4.35Å; Y149-F160 AromaticContact CE1-CD2 3.63Å; Y149-F160 HydrophobicContact CE1-CD2 3.63Å; Y149-F160 HydrophobicContact CE1-CE2 4.08Å; Y149-F160 HydrophobicContact CE2-CD2 4.44Å; Y149-F160 AromaticContact CZ-CD2 3.71Å; H152-F160 HydrophobicContact CB-CE2 3.95Å; H152-F160 HydrophobicContact CB-CZ 4.01Å; H152-F160 AromaticContact CD2-CZ 3.88Å; H152-F160 AromaticContact CG-CZ 3.8Å; A155-F160 HydrophobicContact CB-CE2 3.61Å; A155-F160 HydrophobicContact CB-CZ 3.95Å; F160-K169 HydrophobicContact CD1-CB 4.34Å; F160-I171 HydrophobicContact CD1-CG1 3.69Å; F160-I171 HydrophobicContact CE1-CG1 4.04Å; F160-I171 HydrophobicContact CG-CG1 4.22Å; F160-I208 HydrophobicContact CB-CD1 4.5Å; F160-I208 HydrophobicContact CB-CG1 4.46Å; F160-I208 HydrophobicContact CB-CG2 4.11Å
161	V	94.7	Very high	93.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-66	140.4	177.6	175.2	0	0	0	0	109.7	F157 L158 I165 G166 K167 A168 F197 T206 I208	F157-V161 HydrophobicContact CE1-CG2 4.36Å; F157-V161 WeakPolarHBondContact O-CG2 3.49Å; L158-V161 HydrophobicContact CD2-CB 4.28Å; L158-V161 HydrophobicContact CD2-CG1 4.41Å; L158-V161 HydrophobicContact CD2-CG2 4.18Å; V161-I165 HydrophobicContact CG1-CG2 4.33Å; V161-G166 CarbonylContact O-C 3.49Å; V161-G166 VanDerWaalsContact O-C 3.31Å; V161-G166 VanDerWaalsContact O-CA 3.27Å; V161-G166 WeakPolarHBondContact O-CA 3.3Å; V161-K167 PolarHBondContact O-N 2.91Å; V161-A168 WeakPolarHBondContact O-CA 3.17Å; V161-A168 PolarHBondContact O-N 2.66Å; V161-F197 HydrophobicContact CG1-CE1 4.36Å; V161-F197 HydrophobicContact CG1-CZ 4.03Å; V161-F197 HydrophobicContact CG2-CE1 3.94Å; V161-F197 HydrophobicContact CG2-CZ 3.82Å; V161-T206 HydrophobicContact CG1-CG2 3.93Å; V161-I208 HydrophobicContact CG2-CG1 4.18Å
162	N	90.9	Very high	92.6	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.107	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-58	139.4	-177	-67.2	-41.3	0	0	0	111.9	I165 G166 G207 A209 R439	N162-I165 PolarHBondContact O-N 3.28Å; N162-G166 PolarHBondContact O-N 2.86Å; N162-G207 WeakPolarHBondContact CB-O 3.42Å; N162-G207 PolarHBondContact N-O 3.22Å; N162-G207 VanDerWaalsContact ND2-C 3.26Å; N162-G207 PolarHBondContact ND2-O 3.22Å; N162-A209 PolarHBondContact OD1-N 2.67Å; N162-R439 WeakPolarHBondContact ND2-CD 3.46Å
163	A	87.3	Confident	92.2	Very high	58 Å²	58	55.5 Å²	55.5	48%	0.479	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	149.5	168.8	0	0	0	0	0	110	A168	A163-A168 HydrophobicContact CB-CB 3.96Å
164	P	85.7	Confident	92.1	Very high	88 Å²	88	58.4 Å²	58.4	57%	0.571	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.6	-2.8	4.8	34.4	-36.3	0	0	0	115.1
165	I	87.8	Confident	92.3	Very high	30 Å²	30	52.1 Å²	52.1	15%	0.154	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-44.1	-176.4	-65	169	0	0	0	111.4	V161 N162 F199 L202 T206	V161-I165 HydrophobicContact CG1-CG2 4.33Å; N162-I165 PolarHBondContact O-N 3.28Å; I165-F199 HydrophobicContact CG2-CD1 3.8Å; I165-F199 HydrophobicContact CG2-CE1 3.97Å; I165-F199 HydrophobicContact CG2-CG 4.32Å; I165-L202 HydrophobicContact CD1-CD1 4.41Å; I165-L202 HydrophobicContact CG1-CD1 4.07Å; I165-L202 HydrophobicContact CG2-CD1 4.4Å; I165-T206 HydrophobicContact CD1-CG2 4.14Å; I165-T206 HydrophobicContact CG2-CG2 4.24Å
166	G	91.5	Very high	92.4	Very high	13 Å²	13	55.4 Å²	55.4	13%	0.134	32%	0.323	C	S	.	.	S	Bend	trans	-108.2	-169	173.7	0	0	0	0	0	113.1	L158 V161 N162	L158-G166 WeakPolarHBondContact O-CA 3.32Å; V161-G166 CarbonylContact O-C 3.49Å; V161-G166 VanDerWaalsContact O-C 3.31Å; V161-G166 VanDerWaalsContact O-CA 3.27Å; V161-G166 WeakPolarHBondContact O-CA 3.3Å; N162-G166 PolarHBondContact O-N 2.86Å
167	K	93.4	Very high	92.5	Very high	108 Å²	108	53 Å²	53	47%	0.47	31%	0.312	S	S	.	.			trans	-92.3	-7.7	-176.2	-53.6	-178.7	-159.2	157.3	0	113.5	D156 L158 D159 V161 K169	D156-K167 IonicContact OD2-NZ 2.9Å; D156-K167 PolarHBondContact OD2-NZ 3.05Å; L158-K167 PolarHBondContact O-N 3.36Å; D159-K167 VanDerWaalsContact OD1-CD 3.25Å; D159-K167 WeakPolarHBondContact OD1-CD 3.35Å; D159-K167 WeakPolarHBondContact OD1-CE 3.2Å; D159-K167 IonicContact OD1-NZ 3.11Å; D159-K167 PolarHBondContact OD1-NZ 2.7Å; V161-K167 PolarHBondContact O-N 2.91Å; K167-K169 HydrophobicContact CB-CG 4.1Å; K167-K169 PolarHBondContact O-N 2.95Å; K167-K169 VanDerWaalsContact O-N 3.1Å
168	A	90.9	Very high	92.6	Very high	52 Å²	52	51.8 Å²	51.8	43%	0.43	31%	0.307	S	S	.	.			trans	46	38.7	-177.9	0	0	0	0	0	114	D159 V161 A163	D159-A168 PolarHBondContact O-N 3.32Å; V161-A168 WeakPolarHBondContact O-CA 3.17Å; V161-A168 PolarHBondContact O-N 2.66Å; A163-A168 HydrophobicContact CB-CB 3.96Å
169	K	92.5	Very high	92.7	Very high	91 Å²	91	49 Å²	49	40%	0.396	29%	0.293	S	S	.	.			trans	-64.1	139.1	179	-68.7	-174.8	-176.3	168.7	0	109.7	D159 F160 K167	D159-K169 HydrophobicContact CB-CD 3.92Å; D159-K169 WeakPolarHBondContact O-CB 3.43Å; D159-K169 PolarHBondContact O-N 2.87Å; D159-K169 VanDerWaalsContact OD1-CE 3.31Å; D159-K169 WeakPolarHBondContact OD1-CE 3.4Å; D159-K169 IonicContact OD1-NZ 3.38Å; D159-K169 PolarHBondContact OD1-NZ 3.12Å; D159-K169 IonicContact OD2-NZ 2.7Å; D159-K169 PolarHBondContact OD2-NZ 3.15Å; F160-K169 HydrophobicContact CD1-CB 4.34Å; K167-K169 HydrophobicContact CB-CG 4.1Å; K167-K169 PolarHBondContact O-N 2.95Å; K167-K169 VanDerWaalsContact O-N 3.1Å
170	P	91.3	Very high	92.8	Very high	77 Å²	77	48.5 Å²	48.5	50%	0.5	29%	0.29	S	S	.	.			trans	-63.7	142.4	174.3	27.2	-33.7	0	0	0	110.5
171	I	92.5	Very high	92.9	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.108	29%	0.287	C	S	.	.			trans	-88.1	111	175.6	-55.7	174.9	0	0	0	107.6	L148 F160 L175 I208 A212 I213	L148-I171 HydrophobicContact CD1-CD1 3.69Å; L148-I171 HydrophobicContact CD1-CG1 4.11Å; L148-I171 HydrophobicContact CD1-CG2 3.7Å; L148-I171 HydrophobicContact CD2-CD1 3.81Å; L148-I171 HydrophobicContact CG-CD1 4.42Å; F160-I171 HydrophobicContact CD1-CG1 3.69Å; F160-I171 HydrophobicContact CE1-CG1 4.04Å; F160-I171 HydrophobicContact CG-CG1 4.22Å; I171-L175 HydrophobicContact CG2-CD1 3.81Å; I171-I208 HydrophobicContact CD1-CG2 4.37Å; I171-A212 HydrophobicContact CB-CB 4.05Å; I171-A212 HydrophobicContact CG2-CB 3.85Å; I171-I213 HydrophobicContact CD1-CG2 3.71Å
172	T	85.8	Confident	93.1	Very high	117 Å²	117	47.9 Å²	47.9	72%	0.718	29%	0.287	S	S	*	.			trans	-108.2	-17.1	-175.7	54.6	0	0	0	0	113.7
173	G	87.4	Confident	93.4	Very high	29 Å²	29	47.1 Å²	47.1	30%	0.299	28%	0.284	S	S	.	.	S	Bend	trans	-78.7	153.7	175.2	0	0	0	0	0	113.1	H152	H152-G173 WeakPolarHBondContact NE2-CA 3.5Å; H152-G173 PolarHBondContact NE2-N 3.05Å
174	V	92	Very high	93.8	Very high	135 Å²	135	45.6 Å²	45.6	82%	0.818	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-80.5	123	172.8	179.6	0	0	0	0	108.9
175	L	96.8	Very high	94.3	Very high	27 Å²	27	41.7 Å²	41.7	14%	0.141	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-80.7	160.7	175.4	-82.1	70.1	0	0	0	111	L148 I171 I213	L148-L175 HydrophobicContact CB-CD2 4.07Å; L148-L175 HydrophobicContact CD1-CD1 4.03Å; L148-L175 HydrophobicContact CD1-CD2 4.16Å; L148-L175 HydrophobicContact CD1-CG 4.43Å; I171-L175 HydrophobicContact CG2-CD1 3.81Å; L175-I213 HydrophobicContact CD2-CB 4.41Å; L175-I213 HydrophobicContact CD2-CG2 3.85Å
176	K	97.9	Very high	94.7	Very high	89 Å²	89	40.3 Å²	40.3	39%	0.387	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-69	152.4	169.8	-60.3	-52.4	-177.5	176	0	110.5	D129 Y131 N147	D129-K176 WeakPolarHBondContact O-CB 3.45Å; Y131-K176 HydrophobicContact CD2-CB 3.8Å; Y131-K176 HydrophobicContact CD2-CG 4.44Å; Y131-K176 HydrophobicContact CE2-CB 3.82Å; Y131-K176 HydrophobicContact CE2-CG 3.98Å; N147-K176 PolarHBondContact ND2-O 3.34Å; N147-K176 WeakPolarHBondContact OD1-CB 3.46Å; N147-K176 PolarHBondContact OD1-N 2.97Å; N147-K176 VanDerWaalsContact OD1-N 3.16Å
177	P	98.2	Very high	94.9	Very high	44 Å²	44	41.5 Å²	41.5	29%	0.286	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-54.4	142.4	172.4	-24.1	34.1	0	0	0	111.7	M68 I130 Y131 T216	M68-P177 HydrophobicContact SD-CB 4.41Å; I130-P177 HydrophobicContact CG1-CB 4.48Å; I130-P177 HydrophobicContact CG1-CG 4.42Å; I130-P177 HydrophobicContact CG2-CB 4.26Å; Y131-P177 PolarHBondContact N-O 2.92Å; P177-T216 WeakPolarHBondContact CA-OG1 3.47Å
178	L	98.8	Very high	95	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.8	176.2	169.4	60.7	0	0	0	109.4	Y131 A133 C143 K144 P215 T216 L217	Y131-L178 WeakPolarHBondContact O-CA 3.4Å; A133-L178 HydrophobicContact CB-CD1 4.18Å; C143-L178 HydrophobicContact CB-CD1 4.42Å; K144-L178 HydrophobicContact CG-CD2 3.68Å; L178-P215 HydrophobicContact CD2-CB 4.27Å; L178-P215 HydrophobicContact CD2-CG 3.97Å; L178-P215 HydrophobicContact CG-CB 4.12Å; L178-P215 HydrophobicContact CG-CG 4.33Å; L178-P215 CarbonylContact O-C 3.58Å; L178-T216 PolarHBondContact N-OG1 3.4Å; L178-T216 PolarHBondContact O-N 3.16Å; L178-L217 PolarHBondContact O-N 3.14Å
179	I	98.8	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.4	168.6	-57.8	-178.9	0	0	0	108	I61 D64 L65 M68 Y131 V132 A133 L217 I219	I61-I179 HydrophobicContact CD1-CG2 4.24Å; I61-I179 HydrophobicContact CG1-CG2 4.39Å; D64-I179 HydrophobicContact CB-CD1 4.19Å; L65-I179 HydrophobicContact CD2-CD1 4.04Å; L65-I179 HydrophobicContact CG-CD1 4.32Å; M68-I179 HydrophobicContact CE-CD1 4.27Å; M68-I179 HydrophobicContact SD-CD1 4.4Å; Y131-I179 PolarHBondContact O-N 3.21Å; V132-I179 CarbonylContact C-O 3.53Å; V132-I179 VanDerWaalsContact CA-O 3.31Å; V132-I179 WeakPolarHBondContact CA-O 3.47Å; V132-I179 HydrophobicContact CG2-CB 4.39Å; A133-I179 PolarHBondContact N-O 3.43Å; I179-L217 CarbonylContact C-O 3.53Å; I179-L217 WeakPolarHBondContact CA-O 3.46Å; I179-L217 HydrophobicContact CG1-CB 4.41Å; I179-I219 HydrophobicContact CG2-CD1 3.42Å; I179-I219 VanDerWaalsContact CG2-CD1 3.42Å; I179-I219 HydrophobicContact CG2-CG1 3.93Å
180	A	98.8	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.7	179.6	0	0	0	0	0	110.5	I140 P182 E190 P215 L217 G218 I219	I140-A180 HydrophobicContact CD1-CB 4.27Å; I140-A180 HydrophobicContact CG1-CB 4.31Å; I140-A180 HydrophobicContact CG2-CB 4.06Å; A180-P182 WeakPolarHBondContact O-CD 3.42Å; A180-E190 HydrophobicContact CB-CB 3.74Å; A180-P215 HydrophobicContact CB-CB 3.89Å; A180-P215 HydrophobicContact CB-CG 3.84Å; A180-L217 PolarHBondContact N-O 3.5Å; A180-G218 CarbonylContact O-C 3.22Å; A180-G218 WeakPolarHBondContact O-CA 3.24Å; A180-I219 PolarHBondContact O-N 3.04Å
181	V	98.7	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	91	178.8	-172.1	0	0	0	0	107.9	T58 I61 V90 A133 V134 G135 I219	T58-V181 HydrophobicContact CG2-CG1 4.22Å; I61-V181 HydrophobicContact CD1-CG2 3.41Å; I61-V181 VanDerWaalsContact CD1-CG2 3.41Å; V90-V181 HydrophobicContact CG2-CG2 4.41Å; A133-V181 PolarHBondContact O-N 3.37Å; V134-V181 HydrophobicContact CB-CB 4.44Å; V134-V181 HydrophobicContact CG1-CB 4.2Å; V134-V181 HydrophobicContact CG1-CG1 4.29Å; V134-V181 HydrophobicContact CG2-CB 4.23Å; V134-V181 HydrophobicContact CG2-CG2 4.23Å; G135-V181 PolarHBondContact N-O 3.5Å; V181-I219 HydrophobicContact CG2-CB 4.28Å
182	P	98.1	Very high	96	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.6	177.2	26.9	-36.8	0	0	0	111.7	G135 I140 A180 E190 I219 V220 H308	G135-P182 WeakPolarHBondContact O-CA 3.35Å; I140-P182 HydrophobicContact CD1-CB 4.42Å; A180-P182 WeakPolarHBondContact O-CD 3.42Å; P182-E190 HydrophobicContact CB-CG 4.47Å; P182-E190 HydrophobicContact CG-CB 4.25Å; P182-E190 HydrophobicContact CG-CG 3.86Å; P182-I219 WeakPolarHBondContact CD-O 3.42Å; P182-V220 HydrophobicContact CG-CG2 4.2Å; P182-H308 WeakPolarHBondContact CG-NE2 3.5Å; P182-H308 PolarHBondContact O-CE1 2.62Å
183	T	97.1	Very high	96.5	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.031	12%	0.119	C	C	.	.			trans	-115.3	-1.7	172.1	60.8	0	0	0	0	112.5	L81 P86 V134 G135 G136 H224 M228	L81-T183 HydrophobicContact CD1-CG2 4.32Å; P86-T183 HydrophobicContact CB-CG2 3.53Å; P86-T183 HydrophobicContact CG-CG2 3.77Å; V134-T183 HydrophobicContact CG1-CG2 4.39Å; G135-T183 VanDerWaalsContact CA-OG1 3.28Å; G135-T183 WeakPolarHBondContact CA-OG1 3.48Å; G135-T183 PolarHBondContact O-N 3.31Å; G135-T183 PolarHBondContact O-OG1 3.41Å; G136-T183 PolarHBondContact N-OG1 3.25Å; T183-H224 HydrophobicContact CG2-CB 4.3Å; T183-M228 WeakPolarHBondContact O-CG 3.3Å
184	T	96.2	Very high	96.8	Very high	25 Å²	25	18.7 Å²	18.7	15%	0.153	11%	0.107	C	C	.	.	S	Bend	trans	-123.9	138.3	176.7	63	0	0	0	0	111.5	G136 G186 M228 V232	G136-T184 WeakPolarHBondContact CA-OG1 3.37Å; T184-G186 VanDerWaalsContact C-N 3.33Å; T184-G186 PolarHBondContact O-N 2.93Å; T184-M228 HydrophobicContact CG2-CE 4.17Å; T184-V232 HydrophobicContact CG2-CG1 4.39Å
185	A	96.5	Very high	97.1	Very high	7 Å²	7	12.2 Å²	12.2	6%	0.058	7%	0.068	C	C	.	.	S	Bend	trans	-88.2	64.6	176.2	0	0	0	0	0	111.3	T225 M228 S236 V240 M307 H308	A185-T225 HydrophobicContact CB-CG2 4.05Å; A185-M228 HydrophobicContact CB-SD 4.41Å; A185-S236 CarbonylContact O-C 3.56Å; A185-S236 VanDerWaalsContact O-CB 3.26Å; A185-S236 WeakPolarHBondContact O-CB 3.4Å; A185-V240 WeakPolarHBondContact O-CG2 3.43Å; A185-M307 HydrophobicContact CB-CB 4.13Å; A185-H308 HydrophobicContact CB-CB 4.42Å
186	G	95.1	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-143	-79.7	-173	0	0	0	0	0	114.7	T184 G188 S236 V240 S311	T184-G186 VanDerWaalsContact C-N 3.33Å; T184-G186 PolarHBondContact O-N 2.93Å; G186-G188 VanDerWaalsContact C-N 3.33Å; G186-G188 PolarHBondContact O-N 2.95Å; G186-S236 VanDerWaalsContact CA-O 3.32Å; G186-S236 WeakPolarHBondContact CA-O 3.35Å; G186-V240 WeakPolarHBondContact O-CG2 3.47Å; G186-S311 WeakPolarHBondContact CA-OG 3.45Å; G186-S311 PolarHBondContact N-OG 3.16Å; G186-S311 VanDerWaalsContact N-OG 3.07Å; G186-S311 PolarHBondContact O-OG 3.32Å
187	T	95.1	Very high	96.8	Very high	38 Å²	38	7.7 Å²	7.7	23%	0.233	5%	0.048	C	C	.	.			trans	-71	-21.9	-161.7	66.7	0	0	0	0	115.3	G137 S189 F318	G137-T187 WeakPolarHBondContact CA-OG1 3.49Å; T187-S189 PolarHBondContact O-N 3.03Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-S189 WeakPolarHBondContact OG1-CB 3.26Å; T187-S189 PolarHBondContact OG1-N 2.89Å; T187-F318 WeakPolarHBondContact O-CE1 3.08Å; T187-F318 WeakPolarHBondContact O-CZ 3.49Å
188	G	96.8	Very high	96.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.			trans	57.9	22.3	-170.6	0	0	0	0	0	113	G186 E190 T191 T192 S311	G186-G188 VanDerWaalsContact C-N 3.33Å; G186-G188 PolarHBondContact O-N 2.95Å; G188-E190 WeakPolarHBondContact CA-OE2 3.34Å; G188-E190 PolarHBondContact O-N 3.14Å; G188-E190 VanDerWaalsContact O-N 3.12Å; G188-T191 PolarHBondContact O-N 3.13Å; G188-T191 PolarHBondContact O-OG1 3.18Å; G188-T191 VanDerWaalsContact O-OG1 3.07Å; G188-T192 WeakPolarHBondContact O-CG2 3.4Å; G188-T192 PolarHBondContact O-N 3.02Å; G188-S311 PolarHBondContact N-OG 3.22Å; G188-S311 VanDerWaalsContact N-OG 3.08Å
189	S	97.6	Very high	96	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.021	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-59.9	-27.6	-172.9	-176.8	0	0	0	0	112.2	I140 D141 K144 T187 T191 T192	I140-S189 WeakPolarHBondContact CB-OG 3.44Å; I140-S189 VanDerWaalsContact CG2-OG 3.22Å; I140-S189 WeakPolarHBondContact CG2-OG 3.35Å; D141-S189 PolarHBondContact OD1-OG 2.92Å; K144-S189 WeakPolarHBondContact CE-O 3.4Å; K144-S189 PolarHBondContact NZ-O 3.24Å; K144-S189 PolarHBondContact NZ-OG 3.39Å; T187-S189 PolarHBondContact O-N 3.03Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-S189 WeakPolarHBondContact OG1-CB 3.26Å; T187-S189 PolarHBondContact OG1-N 2.89Å; S189-T191 PolarHBondContact O-N 2.9Å; S189-T191 VanDerWaalsContact O-N 3.15Å; S189-T192 PolarHBondContact O-N 2.83Å
190	E	97.9	Very high	95.5	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.8	173.2	76	-70.7	169.7	0	0	114.3	S49 I51 I140 A180 P182 G188 P215 V220 V312	S49-E190 WeakPolarHBondContact CB-O 3.36Å; S49-E190 PolarHBondContact OG-O 3.48Å; I51-E190 HydrophobicContact CD1-CG 4.48Å; I140-E190 HydrophobicContact CD1-CB 4.33Å; A180-E190 HydrophobicContact CB-CB 3.74Å; P182-E190 HydrophobicContact CB-CG 4.47Å; P182-E190 HydrophobicContact CG-CB 4.25Å; P182-E190 HydrophobicContact CG-CG 3.86Å; G188-E190 WeakPolarHBondContact CA-OE2 3.34Å; G188-E190 PolarHBondContact O-N 3.14Å; G188-E190 VanDerWaalsContact O-N 3.12Å; E190-P215 WeakPolarHBondContact O-CG 3.25Å; E190-V220 HydrophobicContact CG-CG2 4.49Å; E190-V312 WeakPolarHBondContact OE1-CG2 3.34Å
191	T	96.9	Very high	94.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-111.8	-10.9	-179.6	81.9	0	0	0	0	113.6	I51 G188 S189 K214 V312 G315 I316	I51-T191 HydrophobicContact CD1-CG2 3.72Å; G188-T191 PolarHBondContact O-N 3.13Å; G188-T191 PolarHBondContact O-OG1 3.18Å; G188-T191 VanDerWaalsContact O-OG1 3.07Å; S189-T191 PolarHBondContact O-N 2.9Å; S189-T191 VanDerWaalsContact O-N 3.15Å; T191-K214 VanDerWaalsContact O-CE 3.31Å; T191-K214 WeakPolarHBondContact O-CE 3.46Å; T191-V312 HydrophobicContact CG2-CB 4.47Å; T191-V312 HydrophobicContact CG2-CG1 3.87Å; T191-G315 VanDerWaalsContact OG1-CA 3.25Å; T191-G315 WeakPolarHBondContact OG1-CA 3.33Å; T191-G315 PolarHBondContact OG1-O 3.07Å; T191-I316 HydrophobicContact CG2-CG1 4.24Å; T191-I316 PolarHBondContact OG1-N 2.78Å
192	T	96.3	Very high	94.1	Very high	4 Å²	4	26 Å²	26	3%	0.025	13%	0.13	C	C	.	.			trans	-107.5	153.4	-168.1	67.7	0	0	0	0	113.3	K144 G188 S189 V194 F318	K144-T192 VanDerWaalsContact CE-O 3.29Å; K144-T192 WeakPolarHBondContact CE-O 3.36Å; K144-T192 PolarHBondContact NZ-O 2.99Å; G188-T192 WeakPolarHBondContact O-CG2 3.4Å; G188-T192 PolarHBondContact O-N 3.02Å; S189-T192 PolarHBondContact O-N 2.83Å; T192-V194 VanDerWaalsContact C-N 3.26Å; T192-V194 PolarHBondContact O-N 3.09Å; T192-F318 HydrophobicContact CG2-CE1 4Å; T192-F318 HydrophobicContact CG2-CE2 4.35Å; T192-F318 HydrophobicContact CG2-CZ 3.73Å
193	G	95	Very high	93.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-93.8	35.5	174.8	0	0	0	0	0	112.3	A209 S210 I213	G193-A209 CarbonylContact O-C 3.47Å; G193-A209 WeakPolarHBondContact O-CA 3.42Å; G193-S210 CarbonylContact C-O 3.54Å; G193-S210 WeakPolarHBondContact CA-O 3.35Å; G193-S210 CarbonylContact O-C 3.56Å; G193-S210 PolarHBondContact O-N 3.04Å; G193-I213 WeakPolarHBondContact O-CG1 3.43Å
194	V	94.9	Very high	92.4	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.6	-176.2	-175.9	0	0	0	0	109.3	K144 T192 I196 I208 A209 Y269	K144-V194 WeakPolarHBondContact CD-O 3.39Å; K144-V194 PolarHBondContact NZ-O 3.24Å; T192-V194 VanDerWaalsContact C-N 3.26Å; T192-V194 PolarHBondContact O-N 3.09Å; V194-I196 HydrophobicContact CG1-CD1 3.43Å; V194-I196 VanDerWaalsContact CG1-CD1 3.43Å; V194-I196 HydrophobicContact CG1-CG1 3.8Å; V194-I208 CarbonylContact C-O 3.57Å; V194-I208 VanDerWaalsContact CA-O 3.31Å; V194-I208 WeakPolarHBondContact CA-O 3.36Å; V194-A209 HydrophobicContact CG2-CB 4.26Å; V194-Y269 HydrophobicContact CG2-CE1 3.89Å
195	A	96.8	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.5	168.5	0	0	0	0	0	108.8	F116 D141 K144 G207 I208 I213	F116-A195 HydrophobicContact CZ-CB 4.49Å; D141-A195 HydrophobicContact CB-CB 3.94Å; D141-A195 WeakPolarHBondContact OD2-CA 3.35Å; K144-A195 HydrophobicContact CB-CB 4.2Å; K144-A195 HydrophobicContact CD-CB 4.32Å; A195-G207 CarbonylContact O-C 3.53Å; A195-G207 WeakPolarHBondContact O-CA 3.41Å; A195-I208 PolarHBondContact N-O 3.4Å; A195-I208 PolarHBondContact O-N 3.12Å; A195-I213 HydrophobicContact CB-CD1 3.99Å
196	I	94.3	Very high	91.6	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.108	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.4	-174.3	-60.7	-56.8	0	0	0	110.4	P111 D141 V194 K205 T206	P111-I196 VanDerWaalsContact CG-O 3.27Å; P111-I196 WeakPolarHBondContact CG-O 3.37Å; D141-I196 PolarHBondContact OD2-N 3.37Å; V194-I196 HydrophobicContact CG1-CD1 3.43Å; V194-I196 VanDerWaalsContact CG1-CD1 3.43Å; V194-I196 HydrophobicContact CG1-CG1 3.8Å; I196-K205 HydrophobicContact CG2-CD 3.42Å; I196-K205 VanDerWaalsContact CG2-CD 3.42Å; I196-K205 HydrophobicContact CG2-CG 3.37Å; I196-T206 WeakPolarHBondContact CA-O 3.41Å; I196-T206 WeakPolarHBondContact CG2-O 3.48Å
197	F	94.3	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.6	173.7	67.6	-84.1	0	0	0	111.8	P111 D113 F116 F157 V161 F199 T206	P111-F197 HydrophobicContact CG-CB 4.35Å; P111-F197 CarbonylContact O-C 3.52Å; P111-F197 WeakPolarHBondContact O-CA 3.5Å; P111-F197 VanDerWaalsContact O-CB 3.28Å; P111-F197 WeakPolarHBondContact O-CB 3.22Å; D113-F197 HydrophobicContact CB-CD2 3.79Å; D113-F197 HydrophobicContact CB-CE2 3.63Å; F116-F197 HydrophobicContact CD1-CB 4.4Å; F116-F197 HydrophobicContact CD2-CB 4.03Å; F116-F197 AromaticContact CD2-CD1 3.76Å; F116-F197 HydrophobicContact CD2-CD1 3.76Å; F116-F197 HydrophobicContact CD2-CE1 4.45Å; F116-F197 AromaticContact CD2-CG 3.95Å; F116-F197 HydrophobicContact CD2-CG 3.95Å; F116-F197 HydrophobicContact CE1-CB 4.15Å; F116-F197 HydrophobicContact CE2-CB 3.75Å; F116-F197 AromaticContact CE2-CD1 3.48Å; F116-F197 HydrophobicContact CE2-CD1 3.48Å; F116-F197 VanDerWaalsContact CE2-CD1 3.48Å; F116-F197 HydrophobicContact CE2-CE1 4.39Å; F116-F197 AromaticContact CE2-CG 3.88Å; F116-F197 HydrophobicContact CE2-CG 3.88Å; F116-F197 HydrophobicContact CG-CB 4.35Å; F116-F197 HydrophobicContact CZ-CB 3.81Å; F116-F197 HydrophobicContact CZ-CD1 4.3Å; F116-F197 HydrophobicContact CZ-CG 4.44Å; F157-F197 AromaticContact CE1-CE2 3.97Å; F157-F197 HydrophobicContact CE1-CE2 3.97Å; F157-F197 AromaticContact CE1-CZ 3.82Å; F157-F197 HydrophobicContact CE1-CZ 3.82Å; F157-F197 HydrophobicContact CZ-CE1 4.2Å; F157-F197 AromaticContact CZ-CE2 3.99Å; F157-F197 HydrophobicContact CZ-CE2 3.99Å; F157-F197 AromaticContact CZ-CZ 3.81Å; F157-F197 HydrophobicContact CZ-CZ 3.81Å; V161-F197 HydrophobicContact CG1-CE1 4.36Å; V161-F197 HydrophobicContact CG1-CZ 4.03Å; V161-F197 HydrophobicContact CG2-CE1 3.94Å; V161-F197 HydrophobicContact CG2-CZ 3.82Å; F197-F199 HydrophobicContact CE2-CB 3.98Å; F197-F199 HydrophobicContact CE2-CD2 4.03Å; F197-F199 HydrophobicContact CE2-CG 4.42Å; F197-T206 HydrophobicContact CD2-CG2 4.49Å; F197-T206 HydrophobicContact CE1-CG2 3.89Å; F197-T206 HydrophobicContact CE2-CG2 3.78Å; F197-T206 HydrophobicContact CZ-CG2 3.45Å; F197-T206 VanDerWaalsContact CZ-CG2 3.45Å; F197-T206 PolarHBondContact N-O 3.26Å; F197-T206 PolarHBondContact O-N 2.81Å; F197-T206 VanDerWaalsContact O-O 3.1Å
198	D	91.3	Very high	91.5	Very high	29 Å²	29	30.6 Å²	30.6	16%	0.155	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	119.8	172.3	-67	-25.3	0	0	0	110.1	P111 T112 D113 E200 K205	P111-D198 PolarHBondContact O-N 3.29Å; T112-D198 CarbonylContact C-O 3.52Å; T112-D198 VanDerWaalsContact CA-O 3.28Å; T112-D198 WeakPolarHBondContact CA-O 3.23Å; T112-D198 HydrophobicContact CG2-CB 4.37Å; D113-D198 PolarHBondContact N-O 3.29Å; D198-E200 PolarHBondContact O-N 2.99Å; D198-K205 WeakPolarHBondContact OD1-CB 3.2Å; D198-K205 VanDerWaalsContact OD1-CE 3.26Å; D198-K205 WeakPolarHBondContact OD1-CE 3.29Å
199	F	89.7	Confident	91.4	Very high	20 Å²	20	32 Å²	32	9%	0.088	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	99.9	176.1	-171.7	-124.9	0	0	0	109.6	D113 L158 I165 F197 K201 L202 K203 A204 T206	D113-F199 HydrophobicContact CB-CD2 3.86Å; D113-F199 HydrophobicContact CB-CE2 4.4Å; L158-F199 HydrophobicContact CD2-CE2 4.29Å; L158-F199 HydrophobicContact CD2-CZ 4.49Å; I165-F199 HydrophobicContact CG2-CD1 3.8Å; I165-F199 HydrophobicContact CG2-CE1 3.97Å; I165-F199 HydrophobicContact CG2-CG 4.32Å; F197-F199 HydrophobicContact CE2-CB 3.98Å; F197-F199 HydrophobicContact CE2-CD2 4.03Å; F197-F199 HydrophobicContact CE2-CG 4.42Å; F199-K201 VanDerWaalsContact C-N 3.25Å; F199-K201 HydrophobicContact CD1-CB 4.36Å; F199-K201 HydrophobicContact CE1-CB 3.9Å; F199-K201 HydrophobicContact CE1-CD 4.46Å; F199-K201 HydrophobicContact CZ-CB 4.01Å; F199-K201 HydrophobicContact CZ-CD 4.35Å; F199-K201 PolarHBondContact O-N 2.76Å; F199-K201 VanDerWaalsContact O-N 3.17Å; F199-L202 HydrophobicContact CD1-CB 3.93Å; F199-L202 HydrophobicContact CD1-CD1 3.77Å; F199-L202 HydrophobicContact CD1-CG 3.68Å; F199-L202 HydrophobicContact CE1-CB 4.49Å; F199-L202 HydrophobicContact CE1-CD1 3.87Å; F199-L202 HydrophobicContact CE1-CG 3.78Å; F199-L202 PolarHBondContact O-N 3.22Å; F199-K203 PolarHBondContact O-N 2.57Å; F199-K203 VanDerWaalsContact O-N 3.12Å; F199-A204 WeakPolarHBondContact CB-O 3.44Å; F199-A204 PolarHBondContact N-O 3.29Å; F199-A204 PolarHBondContact O-N 2.85Å; F199-T206 HydrophobicContact CB-CG2 4.11Å
200	E	88	Confident	91.1	Very high	107 Å²	107	33.1 Å²	33.1	50%	0.5	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-59.6	-37.7	-165.7	-64.3	179.4	99.3	0	0	112	T112 D113 S114 D198 L202 K203	T112-E200 HydrophobicContact CG2-CG 4.05Å; D113-E200 PolarHBondContact OD1-N 2.85Å; S114-E200 WeakPolarHBondContact CB-OE2 3.29Å; S114-E200 PolarHBondContact OG-OE2 3.25Å; D198-E200 PolarHBondContact O-N 2.99Å; E200-L202 PolarHBondContact O-N 2.97Å; E200-K203 PolarHBondContact O-N 2.76Å
201	K	86.1	Confident	90.9	Very high	179 Å²	179	35.5 Å²	35.5	78%	0.778	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-58.1	-33.5	-179.9	-176	178.1	178.5	-177.2	0	113.4	F199	F199-K201 VanDerWaalsContact C-N 3.25Å; F199-K201 HydrophobicContact CD1-CB 4.36Å; F199-K201 HydrophobicContact CE1-CB 3.9Å; F199-K201 HydrophobicContact CE1-CD 4.46Å; F199-K201 HydrophobicContact CZ-CB 4.01Å; F199-K201 HydrophobicContact CZ-CD 4.35Å; F199-K201 PolarHBondContact O-N 2.76Å; F199-K201 VanDerWaalsContact O-N 3.17Å
202	L	81.8	Confident	90.7	Very high	97 Å²	97	37.5 Å²	37.5	51%	0.508	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-107.6	-0.8	-178.3	-64.1	-179.6	0	0	0	113.1	I165 F199 E200 A204	I165-L202 HydrophobicContact CD1-CD1 4.41Å; I165-L202 HydrophobicContact CG1-CD1 4.07Å; I165-L202 HydrophobicContact CG2-CD1 4.4Å; F199-L202 HydrophobicContact CD1-CB 3.93Å; F199-L202 HydrophobicContact CD1-CD1 3.77Å; F199-L202 HydrophobicContact CD1-CG 3.68Å; F199-L202 HydrophobicContact CE1-CB 4.49Å; F199-L202 HydrophobicContact CE1-CD1 3.87Å; F199-L202 HydrophobicContact CE1-CG 3.78Å; F199-L202 PolarHBondContact O-N 3.22Å; E200-L202 PolarHBondContact O-N 2.97Å; L202-A204 HydrophobicContact CB-CB 4.07Å; L202-A204 PolarHBondContact O-N 2.91Å; L202-A204 VanDerWaalsContact O-N 3.16Å
203	K	80.9	Confident	90.7	Very high	144 Å²	144	37.5 Å²	37.5	63%	0.626	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	38	-171.1	-57.9	-176.4	176.8	-174.1	0	112.1	F199 E200 N336	F199-K203 PolarHBondContact O-N 2.57Å; F199-K203 VanDerWaalsContact O-N 3.12Å; E200-K203 PolarHBondContact O-N 2.76Å; K203-N336 PolarHBondContact O-OD1 2.99Å
204	A	78.8	Confident	90.8	Very high	13 Å²	13	38.7 Å²	38.7	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.5	-173.3	0	0	0	0	0	109.6	F199 L202	F199-A204 WeakPolarHBondContact CB-O 3.44Å; F199-A204 PolarHBondContact N-O 3.29Å; F199-A204 PolarHBondContact O-N 2.85Å; L202-A204 HydrophobicContact CB-CB 4.07Å; L202-A204 PolarHBondContact O-N 2.91Å; L202-A204 VanDerWaalsContact O-N 3.16Å
205	K	86.8	Confident	91	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.4	172.5	-170.6	171	-115.4	-162.6	0	110	E110 I196 D198 Y331 Q437	E110-K205 WeakPolarHBondContact OE2-CE 3.33Å; E110-K205 IonicContact OE2-NZ 2.83Å; E110-K205 PolarHBondContact OE2-NZ 2.79Å; I196-K205 HydrophobicContact CG2-CD 3.42Å; I196-K205 VanDerWaalsContact CG2-CD 3.42Å; I196-K205 HydrophobicContact CG2-CG 3.37Å; D198-K205 WeakPolarHBondContact OD1-CB 3.2Å; D198-K205 VanDerWaalsContact OD1-CE 3.26Å; D198-K205 WeakPolarHBondContact OD1-CE 3.29Å; K205-Y331 HydrophobicContact CB-CD1 4.19Å; K205-Y331 HydrophobicContact CB-CD2 3.69Å; K205-Y331 HydrophobicContact CB-CE2 4.28Å; K205-Y331 HydrophobicContact CB-CG 3.67Å; K205-Y331 HydrophobicContact CD-CD1 3.85Å; K205-Y331 HydrophobicContact CD-CE1 3.91Å; K205-Y331 HydrophobicContact CD-CG 4.22Å; K205-Y331 HydrophobicContact CG-CD1 4.25Å; K205-Y331 HydrophobicContact CG-CD2 4.06Å; K205-Y331 HydrophobicContact CG-CE1 4.34Å; K205-Y331 HydrophobicContact CG-CE2 4.16Å; K205-Y331 HydrophobicContact CG-CG 4.14Å; K205-Y331 VanDerWaalsContact O-CD2 3.29Å; K205-Y331 WeakPolarHBondContact O-CD2 3.38Å; K205-Q437 PolarHBondContact O-NE2 3.15Å; K205-Q437 PolarHBondContact O-OE1 3.37Å
206	T	89.8	Confident	91	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-167.2	175.7	-167.9	0	0	0	0	109.3	V161 I165 I196 F197 F199	V161-T206 HydrophobicContact CG1-CG2 3.93Å; I165-T206 HydrophobicContact CD1-CG2 4.14Å; I165-T206 HydrophobicContact CG2-CG2 4.24Å; I196-T206 WeakPolarHBondContact CA-O 3.41Å; I196-T206 WeakPolarHBondContact CG2-O 3.48Å; F197-T206 HydrophobicContact CD2-CG2 4.49Å; F197-T206 HydrophobicContact CE1-CG2 3.89Å; F197-T206 HydrophobicContact CE2-CG2 3.78Å; F197-T206 HydrophobicContact CZ-CG2 3.45Å; F197-T206 VanDerWaalsContact CZ-CG2 3.45Å; F197-T206 PolarHBondContact N-O 3.26Å; F197-T206 PolarHBondContact O-N 2.81Å; F197-T206 VanDerWaalsContact O-O 3.1Å; F199-T206 HydrophobicContact CB-CG2 4.11Å
207	G	92.9	Very high	91.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-165.3	176.1	0	0	0	0	0	114.7	N162 A195	N162-G207 WeakPolarHBondContact CB-O 3.42Å; N162-G207 PolarHBondContact N-O 3.22Å; N162-G207 VanDerWaalsContact ND2-C 3.26Å; N162-G207 PolarHBondContact ND2-O 3.22Å; A195-G207 CarbonylContact O-C 3.53Å; A195-G207 WeakPolarHBondContact O-CA 3.41Å
208	I	95.1	Very high	91.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.4	173.7	-59.7	166.1	0	0	0	106.2	L148 Y149 F160 V161 I171 V194 A195 I213	L148-I208 HydrophobicContact CD2-CD1 4.04Å; L148-I208 HydrophobicContact CD2-CG2 4.01Å; Y149-I208 HydrophobicContact CE2-CD1 3.78Å; F160-I208 HydrophobicContact CB-CD1 4.5Å; F160-I208 HydrophobicContact CB-CG1 4.46Å; F160-I208 HydrophobicContact CB-CG2 4.11Å; V161-I208 HydrophobicContact CG2-CG1 4.18Å; I171-I208 HydrophobicContact CD1-CG2 4.37Å; V194-I208 CarbonylContact C-O 3.57Å; V194-I208 VanDerWaalsContact CA-O 3.31Å; V194-I208 WeakPolarHBondContact CA-O 3.36Å; A195-I208 PolarHBondContact N-O 3.4Å; A195-I208 PolarHBondContact O-N 3.12Å; I208-I213 HydrophobicContact CB-CD1 4.35Å; I208-I213 HydrophobicContact CG2-CD1 4.02Å
209	A	93.5	Very high	91.8	Very high	31 Å²	31	39.7 Å²	39.7	26%	0.256	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.2	177.6	0	0	0	0	0	110.4	N162 G193 V194	N162-A209 PolarHBondContact OD1-N 2.67Å; G193-A209 CarbonylContact O-C 3.47Å; G193-A209 WeakPolarHBondContact O-CA 3.42Å; V194-A209 HydrophobicContact CG2-CB 4.26Å
210	S	93	Very high	92.2	Very high	25 Å²	25	38.8 Å²	38.8	18%	0.175	20%	0.199	C	C	.	.			trans	-155.5	140.2	176.7	178.3	0	0	0	0	111.7	G193 A212 I213	G193-S210 CarbonylContact C-O 3.54Å; G193-S210 WeakPolarHBondContact CA-O 3.35Å; G193-S210 CarbonylContact O-C 3.56Å; G193-S210 PolarHBondContact O-N 3.04Å; S210-A212 PolarHBondContact O-N 2.82Å; S210-A212 VanDerWaalsContact O-N 3.15Å; S210-A212 WeakPolarHBondContact OG-CB 3.5Å; S210-A212 PolarHBondContact OG-N 2.97Å; S210-A212 VanDerWaalsContact OG-N 3.17Å; S210-I213 VanDerWaalsContact O-CG1 3.29Å; S210-I213 WeakPolarHBondContact O-CG1 3.45Å; S210-I213 PolarHBondContact O-N 3.38Å
211	R	92.3	Very high	92.7	Very high	51 Å²	51	33.8 Å²	33.8	19%	0.192	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-59.1	-26.1	172.2	-65	-180	174.8	73.7	6.2	112.1	E45 A47 I213 K214 R266 P267 Q270	E45-R211 PolarHBondContact O-NH2 2.81Å; E45-R211 VanDerWaalsContact O-NH2 3.1Å; A47-R211 HydrophobicContact CB-CG 4.2Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 PolarHBondContact O-N 3.2Å; R211-K214 WeakPolarHBondContact O-CB 3.27Å; R211-K214 WeakPolarHBondContact O-CG 3.47Å; R211-K214 PolarHBondContact O-N 3.37Å; R211-R266 PolarHBondContact NH1-O 3.04Å; R211-R266 VanDerWaalsContact NH1-O 3.1Å; R211-P267 PolarHBondContact NH1-O 3.17Å; R211-P267 PolarHBondContact NH2-O 3.02Å; R211-P267 VanDerWaalsContact NH2-O 3.11Å; R211-Q270 VanDerWaalsContact NH2-OE1 3.16Å
212	A	93.8	Very high	93.1	Very high	43 Å²	43	25.5 Å²	25.5	36%	0.355	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-67.3	-22.5	-178.5	0	0	0	0	0	114.1	I171 S210	I171-A212 HydrophobicContact CB-CB 4.05Å; I171-A212 HydrophobicContact CG2-CB 3.85Å; S210-A212 PolarHBondContact O-N 2.82Å; S210-A212 VanDerWaalsContact O-N 3.15Å; S210-A212 WeakPolarHBondContact OG-CB 3.5Å; S210-A212 PolarHBondContact OG-N 2.97Å; S210-A212 VanDerWaalsContact OG-N 3.17Å
213	I	96.6	Very high	93.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-95.3	8.2	178.8	69.9	168.9	0	0	0	113	K144 L148 I171 L175 G193 A195 I208 S210 R211	K144-I213 HydrophobicContact CB-CB 4.43Å; K144-I213 HydrophobicContact CB-CD1 4.37Å; K144-I213 HydrophobicContact CD-CD1 4.31Å; K144-I213 WeakPolarHBondContact CG-O 3.38Å; L148-I213 HydrophobicContact CB-CG2 4.3Å; L148-I213 HydrophobicContact CD1-CG2 4.33Å; L148-I213 HydrophobicContact CD2-CG2 4.06Å; L148-I213 HydrophobicContact CG-CG2 4.47Å; I171-I213 HydrophobicContact CD1-CG2 3.71Å; L175-I213 HydrophobicContact CD2-CB 4.41Å; L175-I213 HydrophobicContact CD2-CG2 3.85Å; G193-I213 WeakPolarHBondContact O-CG1 3.43Å; A195-I213 HydrophobicContact CB-CD1 3.99Å; I208-I213 HydrophobicContact CB-CD1 4.35Å; I208-I213 HydrophobicContact CG2-CD1 4.02Å; S210-I213 VanDerWaalsContact O-CG1 3.29Å; S210-I213 WeakPolarHBondContact O-CG1 3.45Å; S210-I213 PolarHBondContact O-N 3.38Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 PolarHBondContact O-N 3.2Å
214	K	96.5	Very high	94.5	Very high	26 Å²	26	16.7 Å²	16.7	11%	0.113	10%	0.1	C	C	.	.	S	Bend	trans	-62.2	138.6	174	-81	-170.6	164.3	93.4	0	110	A47 T191 R211	A47-K214 HydrophobicContact CB-CD 4.29Å; A47-K214 WeakPolarHBondContact O-CE 3.32Å; A47-K214 PolarHBondContact O-NZ 3.43Å; T191-K214 VanDerWaalsContact O-CE 3.31Å; T191-K214 WeakPolarHBondContact O-CE 3.46Å; R211-K214 WeakPolarHBondContact O-CB 3.27Å; R211-K214 WeakPolarHBondContact O-CG 3.47Å; R211-K214 PolarHBondContact O-N 3.37Å
215	P	98.3	Very high	95.3	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.019	10%	0.095	C	C	.	.			trans	-55.5	144.3	169	-27.3	38.7	0	0	0	110.9	S49 I140 L178 A180 E190 L217	S49-P215 WeakPolarHBondContact CB-O 3.28Å; S49-P215 PolarHBondContact OG-O 3.02Å; I140-P215 HydrophobicContact CG2-CG 4.48Å; L178-P215 HydrophobicContact CD2-CB 4.27Å; L178-P215 HydrophobicContact CD2-CG 3.97Å; L178-P215 HydrophobicContact CG-CB 4.12Å; L178-P215 HydrophobicContact CG-CG 4.33Å; L178-P215 CarbonylContact O-C 3.58Å; A180-P215 HydrophobicContact CB-CB 3.89Å; A180-P215 HydrophobicContact CB-CG 3.84Å; E190-P215 WeakPolarHBondContact O-CG 3.25Å; P215-L217 VanDerWaalsContact C-N 3.32Å
216	T	98	Very high	95.6	Very high	62 Å²	62	17.7 Å²	17.7	38%	0.38	10%	0.104	S	C	.	.	S	Bend	trans	-69	-37.8	172.9	-50.8	0	0	0	0	110.5	P177 L178	P177-T216 WeakPolarHBondContact CA-OG1 3.47Å; L178-T216 PolarHBondContact N-OG1 3.4Å; L178-T216 PolarHBondContact O-N 3.16Å
217	L	98.6	Very high	95.6	Very high	14 Å²	14	21.8 Å²	21.8	7%	0.073	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	124.8	-179.7	178.5	61.9	0	0	0	110.1	N50 R52 L178 I179 A180 P215 I219	N50-L217 HydrophobicContact CB-CD1 4.08Å; N50-L217 CarbonylContact O-C 3.44Å; N50-L217 WeakPolarHBondContact O-CA 3.28Å; R52-L217 HydrophobicContact CB-CD1 4.13Å; L178-L217 PolarHBondContact O-N 3.14Å; I179-L217 CarbonylContact C-O 3.53Å; I179-L217 WeakPolarHBondContact CA-O 3.46Å; I179-L217 HydrophobicContact CG1-CB 4.41Å; A180-L217 PolarHBondContact N-O 3.5Å; P215-L217 VanDerWaalsContact C-N 3.32Å; L217-I219 HydrophobicContact CD2-CD1 3.85Å; L217-I219 HydrophobicContact CD2-CG1 3.85Å; L217-I219 HydrophobicContact CG-CD1 4.3Å; L217-I219 HydrophobicContact CG-CG1 3.79Å
218	G	98.4	Very high	95.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.4	164	0	0	0	0	0	110.3	N50 I51 R52 A180	N50-G218 PolarHBondContact O-N 3.4Å; I51-G218 WeakPolarHBondContact CA-O 3.26Å; R52-G218 PolarHBondContact N-O 3.39Å; A180-G218 CarbonylContact O-C 3.22Å; A180-G218 WeakPolarHBondContact O-CA 3.24Å
219	I	98.6	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	99.8	-178.4	-62.9	-176.7	0	0	0	108.7	V57 I61 I179 A180 V181 P182 L217 D221	V57-I219 HydrophobicContact CG1-CG2 3.63Å; I61-I219 HydrophobicContact CD1-CD1 3.6Å; I61-I219 HydrophobicContact CG1-CD1 3.24Å; I179-I219 HydrophobicContact CG2-CD1 3.42Å; I179-I219 VanDerWaalsContact CG2-CD1 3.42Å; I179-I219 HydrophobicContact CG2-CG1 3.93Å; A180-I219 PolarHBondContact O-N 3.04Å; V181-I219 HydrophobicContact CG2-CB 4.28Å; P182-I219 WeakPolarHBondContact CD-O 3.42Å; L217-I219 HydrophobicContact CD2-CD1 3.85Å; L217-I219 HydrophobicContact CD2-CG1 3.85Å; L217-I219 HydrophobicContact CG-CD1 4.3Å; L217-I219 HydrophobicContact CG-CG1 3.79Å; I219-D221 PolarHBondContact O-N 2.79Å
220	V	98.4	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	91.5	-171.3	-173.6	0	0	0	0	108	I51 R52 Y53 G54 P182 E190 L309 V312	I51-V220 HydrophobicContact CG2-CG2 3.8Å; R52-V220 PolarHBondContact O-N 3.46Å; Y53-V220 WeakPolarHBondContact CA-O 3.14Å; Y53-V220 HydrophobicContact CD2-CB 3.94Å; Y53-V220 HydrophobicContact CD2-CG1 3.7Å; Y53-V220 WeakPolarHBondContact CD2-O 3.28Å; Y53-V220 HydrophobicContact CE2-CG1 4.27Å; G54-V220 PolarHBondContact N-O 2.79Å; P182-V220 HydrophobicContact CG-CG2 4.2Å; E190-V220 HydrophobicContact CG-CG2 4.49Å; V220-L309 HydrophobicContact CG1-CD2 4.43Å; V220-V312 HydrophobicContact CB-CG2 4.36Å; V220-V312 HydrophobicContact CG1-CG2 3.94Å; V220-V312 HydrophobicContact CG2-CG2 3.56Å
221	D	98.2	Very high	95.8	Very high	3 Å²	3	29 Å²	29	2%	0.016	15%	0.152	C	C	.	.			trans	-90.3	117	174.8	-163.3	-34.4	0	0	0	109.5	G56 V57 T58 I219 L223 H224 H308	G56-D221 WeakPolarHBondContact CA-OD2 3.23Å; G56-D221 VanDerWaalsContact N-CG 3.31Å; G56-D221 PolarHBondContact N-OD1 3.35Å; G56-D221 PolarHBondContact N-OD2 3.39Å; V57-D221 HydrophobicContact CG1-CB 4.08Å; V57-D221 PolarHBondContact N-OD2 3.36Å; T58-D221 PolarHBondContact N-OD2 2.84Å; T58-D221 WeakPolarHBondContact OG1-CB 3.24Å; T58-D221 PolarHBondContact OG1-OD2 3.19Å; I219-D221 PolarHBondContact O-N 2.79Å; D221-L223 PolarHBondContact O-N 3.34Å; D221-L223 VanDerWaalsContact O-N 3.09Å; D221-L223 PolarHBondContact OD1-N 3.39Å; D221-L223 VanDerWaalsContact OD1-N 3.14Å; D221-H224 VanDerWaalsContact CB-CD2 3.49Å; D221-H224 WeakPolarHBondContact CB-CD2 3Å; D221-H224 WeakPolarHBondContact CB-NE2 3.47Å; D221-H224 PolarHBondContact O-N 3.01Å; D221-H224 VanDerWaalsContact O-N 3.15Å; D221-H224 IonicContact OD2-CE1 2.71Å; D221-H224 IonicContact OD2-NE2 3.72Å; D221-H308 PolarHBondContact O-CE1 3Å; D221-H308 PolarHBondContact O-ND1 2.96Å; D221-H308 VanDerWaalsContact O-ND1 3.13Å
222	P	95.7	Very high	95.9	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.032	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-59.6	-21.1	-179.1	21.9	-31.1	0	0	0	113.9	Y53 G54 E55 H224 T225 S305	Y53-P222 HydrophobicContact CE2-CB 4.18Å; Y53-P222 HydrophobicContact CE2-CG 4.22Å; G54-P222 VanDerWaalsContact C-CD 3.47Å; G54-P222 VanDerWaalsContact O-CD 3.24Å; G54-P222 WeakPolarHBondContact O-CD 3.42Å; E55-P222 HydrophobicContact CB-CG 4.08Å; P222-H224 VanDerWaalsContact C-N 3.31Å; P222-H224 PolarHBondContact O-N 2.73Å; P222-T225 PolarHBondContact O-OG1 3.39Å; P222-S305 WeakPolarHBondContact CB-OG 3.13Å
223	L	95.6	Very high	96.1	Very high	49 Å²	49	26.1 Å²	26.1	26%	0.257	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-73.7	-22.7	179.9	-59.6	-178.5	0	0	0	113	E55 D221 T225 L226	E55-L223 HydrophobicContact CG-CD1 3.72Å; E55-L223 HydrophobicContact CG-CD2 3.92Å; E55-L223 HydrophobicContact CG-CG 3.76Å; D221-L223 PolarHBondContact O-N 3.34Å; D221-L223 VanDerWaalsContact O-N 3.09Å; D221-L223 PolarHBondContact OD1-N 3.39Å; D221-L223 VanDerWaalsContact OD1-N 3.14Å; L223-T225 VanDerWaalsContact C-N 3.28Å; L223-T225 PolarHBondContact O-N 3.07Å; L223-L226 HydrophobicContact CD2-CD1 3.94Å; L223-L226 WeakPolarHBondContact O-CB 3.46Å; L223-L226 WeakPolarHBondContact O-CG 3.46Å; L223-L226 PolarHBondContact O-N 3.2Å
224	H	95.8	Very high	96.1	Very high	7 Å²	7	26 Å²	26	3%	0.032	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-73.8	-19.1	-171.5	-66.8	-12	0	0	0	113.9	T58 P86 T183 D221 P222	T58-H224 PolarHBondContact OG1-NE2 3.09Å; P86-H224 HydrophobicContact CB-CB 4.21Å; P86-H224 HydrophobicContact CG-CB 3.84Å; T183-H224 HydrophobicContact CG2-CB 4.3Å; D221-H224 VanDerWaalsContact CB-CD2 3.49Å; D221-H224 WeakPolarHBondContact CB-CD2 3Å; D221-H224 WeakPolarHBondContact CB-NE2 3.47Å; D221-H224 PolarHBondContact O-N 3.01Å; D221-H224 VanDerWaalsContact O-N 3.15Å; D221-H224 IonicContact OD2-CE1 2.71Å; D221-H224 IonicContact OD2-NE2 3.72Å; P222-H224 VanDerWaalsContact C-N 3.31Å; P222-H224 PolarHBondContact O-N 2.73Å
225	T	95	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-90.4	-5.2	178.7	54.6	0	0	0	0	113.8	A185 P222 L223 H227 M228 R304 H308	A185-T225 HydrophobicContact CB-CG2 4.05Å; P222-T225 PolarHBondContact O-OG1 3.39Å; L223-T225 VanDerWaalsContact C-N 3.28Å; L223-T225 PolarHBondContact O-N 3.07Å; T225-H227 VanDerWaalsContact C-N 3.26Å; T225-H227 PolarHBondContact O-N 3.16Å; T225-M228 HydrophobicContact CG2-SD 3.73Å; T225-M228 PolarHBondContact O-N 3.2Å; T225-R304 PolarHBondContact O-NH1 3.37Å; T225-R304 PolarHBondContact OG1-O 2.87Å; T225-H308 HydrophobicContact CG2-CB 3.99Å; T225-H308 WeakPolarHBondContact CG2-ND1 3.42Å
226	L	94.4	Very high	96.1	Very high	40 Å²	40	25.7 Å²	25.7	21%	0.209	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.4	177.4	-59.4	-179.2	0	0	0	111.7	L223 M228 V301 R304	L223-L226 HydrophobicContact CD2-CD1 3.94Å; L223-L226 WeakPolarHBondContact O-CB 3.46Å; L223-L226 WeakPolarHBondContact O-CG 3.46Å; L223-L226 PolarHBondContact O-N 3.2Å; L226-M228 VanDerWaalsContact C-N 3.29Å; L226-M228 PolarHBondContact O-N 3.23Å; L226-V301 HydrophobicContact CD1-CG2 4.36Å; L226-V301 HydrophobicContact CD2-CG2 4.15Å; L226-R304 HydrophobicContact CD2-CB 3.76Å; L226-R304 HydrophobicContact CD2-CG 3.91Å
227	H	90.2	Very high	96.1	Very high	93 Å²	93	22.8 Å²	22.8	43%	0.431	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.9	179.7	-55.7	90.8	0	0	0	113.9	L84 S85 T225 P229	L84-H227 HydrophobicContact CD1-CB 4.37Å; S85-H227 PolarHBondContact OG-CE1 3.24Å; T225-H227 VanDerWaalsContact C-N 3.26Å; T225-H227 PolarHBondContact O-N 3.16Å; H227-P229 VanDerWaalsContact O-CD 3.32Å; H227-P229 WeakPolarHBondContact O-CD 3.38Å
228	M	93.1	Very high	96.1	Very high	13 Å²	13	22.1 Å²	22.1	6%	0.064	12%	0.115	C	C	.	.	S	Bend	trans	-68.7	124.8	-177.7	-61.8	166.1	70.2	0	0	110.2	T183 T184 A185 T225 L226 V232 A233 S236 R304	T183-M228 WeakPolarHBondContact O-CG 3.3Å; T184-M228 HydrophobicContact CG2-CE 4.17Å; A185-M228 HydrophobicContact CB-SD 4.41Å; T225-M228 HydrophobicContact CG2-SD 3.73Å; T225-M228 PolarHBondContact O-N 3.2Å; L226-M228 VanDerWaalsContact C-N 3.29Å; L226-M228 PolarHBondContact O-N 3.23Å; M228-V232 HydrophobicContact CB-CG1 4.46Å; M228-V232 HydrophobicContact CE-CG1 3.86Å; M228-A233 HydrophobicContact CE-CB 4.32Å; M228-S236 WeakPolarHBondContact CE-OG 3.37Å; M228-R304 PolarHBondContact O-NH1 3.16Å
229	P	93.6	Very high	96.1	Very high	64 Å²	64	22.3 Å²	22.3	42%	0.416	12%	0.117	S	C	.	.			trans	-55.5	152.5	171.1	-24.5	33.5	0	0	0	112.1	H227 R231 V232 A233	H227-P229 VanDerWaalsContact O-CD 3.32Å; H227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-R231 VanDerWaalsContact C-N 3.26Å; P229-R231 PolarHBondContact O-N 2.94Å; P229-R231 VanDerWaalsContact O-N 3.14Å; P229-V232 HydrophobicContact CB-CG2 4.17Å; P229-V232 HydrophobicContact CG-CG2 4.09Å; P229-V232 PolarHBondContact O-N 2.58Å; P229-A233 PolarHBondContact O-N 2.82Å
230	E	95.6	Very high	96.1	Very high	88 Å²	88	22.3 Å²	22.3	41%	0.411	12%	0.117	S	C	.	.	H	α-helix	trans	-45.8	-48.4	-179.8	178.6	-174.3	161.3	0	0	112.5	A233 A234 V295	E230-A233 WeakPolarHBondContact O-CB 3.15Å; E230-A233 PolarHBondContact O-N 2.92Å; E230-A234 PolarHBondContact O-N 2.8Å; E230-V295 HydrophobicContact CG-CG1 3.81Å
231	R	94.9	Very high	96.1	Very high	44 Å²	44	22.4 Å²	22.4	17%	0.166	12%	0.117	C	C	.	.	H	α-helix	trans	-71.1	-33.1	-178.9	-70.7	-58.2	-175.3	177.8	3.8	114.1	P229 A233 A234 N235 K343 L411 K412	P229-R231 VanDerWaalsContact C-N 3.26Å; P229-R231 PolarHBondContact O-N 2.94Å; P229-R231 VanDerWaalsContact O-N 3.14Å; R231-A233 VanDerWaalsContact C-N 3.34Å; R231-A234 PolarHBondContact O-N 3.1Å; R231-N235 WeakPolarHBondContact O-CB 3.29Å; R231-N235 PolarHBondContact O-N 3.36Å; R231-N235 PolarHBondContact O-ND2 3.5Å; R231-K343 WeakPolarHBondContact CB-O 3.31Å; R231-K343 HydrophobicContact CG-CB 4.38Å; R231-K343 WeakPolarHBondContact CG-O 3.36Å; R231-L411 PolarHBondContact NH1-O 3.42Å; R231-K412 PolarHBondContact NH1-O 2.95Å; R231-K412 PolarHBondContact NH2-O 2.98Å
232	V	95.1	Very high	96.1	Very high	23 Å²	23	22.2 Å²	22.2	14%	0.139	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-39.7	172.9	-179.2	0	0	0	0	109.8	T184 M228 P229 S236 Y345	T184-V232 HydrophobicContact CG2-CG1 4.39Å; M228-V232 HydrophobicContact CB-CG1 4.46Å; M228-V232 HydrophobicContact CE-CG1 3.86Å; P229-V232 HydrophobicContact CB-CG2 4.17Å; P229-V232 HydrophobicContact CG-CG2 4.09Å; P229-V232 PolarHBondContact O-N 2.58Å; V232-S236 WeakPolarHBondContact O-CB 3.37Å; V232-S236 PolarHBondContact O-N 3.32Å; V232-S236 PolarHBondContact O-OG 2.84Å; V232-Y345 HydrophobicContact CG2-CD2 4.33Å; V232-Y345 HydrophobicContact CG2-CE1 4.22Å; V232-Y345 HydrophobicContact CG2-CE2 3.94Å
233	A	97.2	Very high	96.3	Very high	11 Å²	11	22.3 Å²	22.3	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-43.6	174.9	0	0	0	0	0	112.2	M228 P229 E230 R231 G237	M228-A233 HydrophobicContact CE-CB 4.32Å; P229-A233 PolarHBondContact O-N 2.82Å; E230-A233 WeakPolarHBondContact O-CB 3.15Å; E230-A233 PolarHBondContact O-N 2.92Å; R231-A233 VanDerWaalsContact C-N 3.34Å; A233-G237 PolarHBondContact O-N 3.37Å
234	A	97.6	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.8	-54.1	177	0	0	0	0	0	111.5	E230 R231 S236 G237 F238 V295	E230-A234 PolarHBondContact O-N 2.8Å; R231-A234 PolarHBondContact O-N 3.1Å; A234-S236 VanDerWaalsContact C-N 3.33Å; A234-S236 PolarHBondContact O-N 3.33Å; A234-G237 PolarHBondContact O-N 3.22Å; A234-G237 VanDerWaalsContact O-N 3.14Å; A234-F238 HydrophobicContact CB-CE2 4.22Å; A234-F238 WeakPolarHBondContact O-CD2 3.48Å; A234-F238 WeakPolarHBondContact O-CG 3.32Å; A234-F238 PolarHBondContact O-N 3.48Å; A234-V295 HydrophobicContact CB-CG1 3.93Å; A234-V295 HydrophobicContact CB-CG2 3.96Å
235	N	97.2	Very high	96.6	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.043	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-40.9	-179.1	-66.9	-19.4	0	0	0	111.5	R231 F238 D239 Y345 P353 G355	R231-N235 WeakPolarHBondContact O-CB 3.29Å; R231-N235 PolarHBondContact O-N 3.36Å; R231-N235 PolarHBondContact O-ND2 3.5Å; N235-F238 PolarHBondContact O-N 2.92Å; N235-D239 PolarHBondContact O-N 3.15Å; N235-D239 VanDerWaalsContact O-N 3.09Å; N235-Y345 WeakPolarHBondContact CB-OH 3.07Å; N235-Y345 VanDerWaalsContact ND2-CE2 3.35Å; N235-Y345 WeakPolarHBondContact ND2-CE2 3.36Å; N235-Y345 PolarHBondContact ND2-OH 2.84Å; N235-P353 HydrophobicContact CB-CB 4.41Å; N235-G355 WeakPolarHBondContact O-CA 3.3Å
236	S	96.9	Very high	96.7	Very high	15 Å²	15	19.6 Å²	19.6	11%	0.105	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-42.7	175	-58.1	0	0	0	0	111.4	A185 G186 M228 V232 A234 F238 D239 V240	A185-S236 CarbonylContact O-C 3.56Å; A185-S236 VanDerWaalsContact O-CB 3.26Å; A185-S236 WeakPolarHBondContact O-CB 3.4Å; G186-S236 VanDerWaalsContact CA-O 3.32Å; G186-S236 WeakPolarHBondContact CA-O 3.35Å; M228-S236 WeakPolarHBondContact CE-OG 3.37Å; V232-S236 WeakPolarHBondContact O-CB 3.37Å; V232-S236 PolarHBondContact O-N 3.32Å; V232-S236 PolarHBondContact O-OG 2.84Å; A234-S236 VanDerWaalsContact C-N 3.33Å; A234-S236 PolarHBondContact O-N 3.33Å; S236-F238 VanDerWaalsContact C-N 3.32Å; S236-F238 PolarHBondContact O-N 2.92Å; S236-D239 VanDerWaalsContact O-CB 3.24Å; S236-D239 WeakPolarHBondContact O-CB 3.43Å; S236-D239 PolarHBondContact O-N 2.95Å; S236-V240 PolarHBondContact O-N 3.26Å; S236-V240 VanDerWaalsContact O-N 3.1Å
237	G	98.3	Very high	96.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-34.9	175.8	0	0	0	0	0	113.5	A233 A234 D239 V240 L241	A233-G237 PolarHBondContact O-N 3.37Å; A234-G237 PolarHBondContact O-N 3.22Å; A234-G237 VanDerWaalsContact O-N 3.14Å; G237-D239 VanDerWaalsContact C-N 3.31Å; G237-V240 WeakPolarHBondContact O-CB 3.42Å; G237-V240 PolarHBondContact O-N 3.1Å; G237-L241 PolarHBondContact O-N 3.25Å
238	F	98.5	Very high	97.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.9	-35.6	174.6	-72.1	-52.1	0	0	0	112.2	A234 N235 S236 L241 C242 M291 V359 L408 L411 V413	A234-F238 HydrophobicContact CB-CE2 4.22Å; A234-F238 WeakPolarHBondContact O-CD2 3.48Å; A234-F238 WeakPolarHBondContact O-CG 3.32Å; A234-F238 PolarHBondContact O-N 3.48Å; N235-F238 PolarHBondContact O-N 2.92Å; S236-F238 VanDerWaalsContact C-N 3.32Å; S236-F238 PolarHBondContact O-N 2.92Å; F238-L241 HydrophobicContact CD1-CD2 4.31Å; F238-L241 PolarHBondContact O-N 2.93Å; F238-C242 WeakPolarHBondContact O-CB 3.46Å; F238-C242 PolarHBondContact O-N 3.24Å; F238-M291 HydrophobicContact CB-CE 4.4Å; F238-M291 HydrophobicContact CD1-CE 3.41Å; F238-M291 VanDerWaalsContact CD1-CE 3.41Å; F238-M291 HydrophobicContact CD2-CE 4.19Å; F238-M291 HydrophobicContact CE1-CE 3.52Å; F238-M291 HydrophobicContact CE2-CE 4.28Å; F238-M291 HydrophobicContact CG-CE 3.74Å; F238-M291 HydrophobicContact CZ-CE 3.97Å; F238-M291 VanDerWaalsContact N-CE 3.3Å; F238-V359 HydrophobicContact CB-CB 3.93Å; F238-V359 HydrophobicContact CB-CG1 4.02Å; F238-V359 HydrophobicContact CB-CG2 4.16Å; F238-V359 HydrophobicContact CD1-CB 4.31Å; F238-V359 HydrophobicContact CD1-CG1 4.21Å; F238-V359 HydrophobicContact CD1-CG2 3.79Å; F238-V359 HydrophobicContact CD2-CG1 4.11Å; F238-V359 HydrophobicContact CG-CB 4.14Å; F238-V359 HydrophobicContact CG-CG1 3.86Å; F238-V359 HydrophobicContact CG-CG2 4.13Å; F238-L408 HydrophobicContact CD1-CD2 3.94Å; F238-L408 HydrophobicContact CE1-CD2 3.45Å; F238-L408 VanDerWaalsContact CE1-CD2 3.45Å; F238-L408 HydrophobicContact CE2-CD2 4.37Å; F238-L408 HydrophobicContact CZ-CD2 3.7Å; F238-L411 HydrophobicContact CE1-CD1 3.9Å; F238-L411 HydrophobicContact CE2-CB 4.41Å; F238-L411 HydrophobicContact CE2-CD1 4.39Å; F238-L411 HydrophobicContact CZ-CB 3.78Å; F238-L411 HydrophobicContact CZ-CD1 3.57Å; F238-L411 HydrophobicContact CZ-CG 4.3Å; F238-V413 HydrophobicContact CD2-CG2 4.24Å; F238-V413 HydrophobicContact CE1-CG2 4.4Å; F238-V413 HydrophobicContact CE2-CG2 3.22Å; F238-V413 HydrophobicContact CZ-CG2 3.32Å
239	D	98.1	Very high	97.6	Very high	5 Å²	5	13.2 Å²	13.2	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-47.4	171.2	-158.8	29.2	0	0	0	110.6	N235 S236 G237 L241 C242 H243 H327 H354	N235-D239 PolarHBondContact O-N 3.15Å; N235-D239 VanDerWaalsContact O-N 3.09Å; S236-D239 VanDerWaalsContact O-CB 3.24Å; S236-D239 WeakPolarHBondContact O-CB 3.43Å; S236-D239 PolarHBondContact O-N 2.95Å; G237-D239 VanDerWaalsContact C-N 3.31Å; D239-L241 PolarHBondContact O-N 3.19Å; D239-C242 PolarHBondContact O-N 2.83Å; D239-H243 VanDerWaalsContact O-CB 3.27Å; D239-H243 WeakPolarHBondContact O-CB 2.94Å; D239-H243 PolarHBondContact O-N 2.79Å; D239-H243 PolarHBondContact O-ND1 3.22Å; D239-H243 IonicContact OD1-CE1 2.69Å; D239-H243 PolarHBondContact OD1-CE1 3.29Å; D239-H243 IonicContact OD1-ND1 2.67Å; D239-H243 IonicContact OD1-NE2 3.83Å; D239-H243 IonicContact OD2-CE1 3.58Å; D239-H243 PolarHBondContact OD2-CE1 3.41Å; D239-H243 VanDerWaalsContact OD2-CE1 3.25Å; D239-H243 IonicContact OD2-ND1 3.72Å; D239-H327 IonicContact OD1-CE1 3.21Å; D239-H327 IonicContact OD1-NE2 2.61Å; D239-H354 IonicContact OD1-CD2 3.27Å
240	V	98.7	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58	-45.6	174.2	-179	0	0	0	0	112	A185 G186 S236 G237 A244 V287 M307 A310 A314	A185-V240 WeakPolarHBondContact O-CG2 3.43Å; G186-V240 WeakPolarHBondContact O-CG2 3.47Å; S236-V240 PolarHBondContact O-N 3.26Å; S236-V240 VanDerWaalsContact O-N 3.1Å; G237-V240 WeakPolarHBondContact O-CB 3.42Å; G237-V240 PolarHBondContact O-N 3.1Å; V240-A244 WeakPolarHBondContact O-CB 3.32Å; V240-A244 PolarHBondContact O-N 2.91Å; V240-V287 HydrophobicContact CB-CG2 4.37Å; V240-V287 HydrophobicContact CG1-CG2 3.76Å; V240-M307 HydrophobicContact CB-CE 4.48Å; V240-A310 HydrophobicContact CG1-CB 3.96Å; V240-A314 HydrophobicContact CG1-CB 3.91Å
241	L	98.8	Very high	97.9	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-59.4	-51.2	179	174.5	59.5	0	0	0	111.2	G237 F238 D239 A244 L245 L284 V287 L384 L404	G237-L241 PolarHBondContact O-N 3.25Å; F238-L241 HydrophobicContact CD1-CD2 4.31Å; F238-L241 PolarHBondContact O-N 2.93Å; D239-L241 PolarHBondContact O-N 3.19Å; L241-A244 PolarHBondContact O-N 3.25Å; L241-L245 HydrophobicContact CD1-CD1 3.77Å; L241-L245 HydrophobicContact CD1-CG 4.1Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.08Å; L241-L284 HydrophobicContact CD1-CD2 3.92Å; L241-V287 HydrophobicContact CB-CG1 4.26Å; L241-V287 HydrophobicContact CD1-CG1 4.03Å; L241-L384 HydrophobicContact CD1-CD1 3.96Å; L241-L384 HydrophobicContact CD1-CD2 3.86Å; L241-L404 HydrophobicContact CD1-CD2 4.43Å; L241-L404 HydrophobicContact CD2-CD2 3.77Å; L241-L404 HydrophobicContact CG-CD2 4.3Å
242	C	98.7	Very high	98	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.1	-39.3	-179.8	-71.6	0	0	0	0	112.3	F238 D239 A244 L245 E246 V358	F238-C242 WeakPolarHBondContact O-CB 3.46Å; F238-C242 PolarHBondContact O-N 3.24Å; D239-C242 PolarHBondContact O-N 2.83Å; C242-A244 VanDerWaalsContact C-N 3.3Å; C242-A244 PolarHBondContact O-N 3.21Å; C242-L245 PolarHBondContact O-N 3.14Å; C242-E246 VanDerWaalsContact O-CB 3.29Å; C242-E246 WeakPolarHBondContact O-CB 3.47Å; C242-E246 VanDerWaalsContact O-CG 3.31Å; C242-E246 WeakPolarHBondContact O-CG 3.24Å; C242-E246 PolarHBondContact O-N 3.48Å; C242-V358 HydrophobicContact CB-CG1 3.39Å
243	H	98.6	Very high	98.1	Very high	6 Å²	6	9 Å²	9	3%	0.028	5%	0.048	C	C	.	.	H	α-helix	trans	-53.4	-49.2	170.8	-76.5	141.6	0	0	0	111.4	D239 S247 A314 F318 H327	D239-H243 VanDerWaalsContact O-CB 3.27Å; D239-H243 WeakPolarHBondContact O-CB 2.94Å; D239-H243 PolarHBondContact O-N 2.79Å; D239-H243 PolarHBondContact O-ND1 3.22Å; D239-H243 IonicContact OD1-CE1 2.69Å; D239-H243 PolarHBondContact OD1-CE1 3.29Å; D239-H243 IonicContact OD1-ND1 2.67Å; D239-H243 IonicContact OD1-NE2 3.83Å; D239-H243 IonicContact OD2-CE1 3.58Å; D239-H243 PolarHBondContact OD2-CE1 3.41Å; D239-H243 VanDerWaalsContact OD2-CE1 3.25Å; D239-H243 IonicContact OD2-ND1 3.72Å; H243-S247 WeakPolarHBondContact O-CB 3.49Å; H243-S247 PolarHBondContact O-N 2.62Å; H243-S247 PolarHBondContact O-OG 2.71Å; H243-A314 HydrophobicContact CB-CB 4.04Å; H243-F318 HydrophobicContact CB-CB 4.18Å; H243-F318 HydrophobicContact CB-CD1 3.74Å; H243-F318 HydrophobicContact CB-CE1 4.38Å; H243-F318 HydrophobicContact CB-CG 4.07Å; H243-F318 AromaticContact CD2-CD1 3.48Å; H243-F318 VanDerWaalsContact CD2-CD1 3.48Å; H243-F318 WeakPolarHBondContact CD2-CD1 3.44Å; H243-F318 AromaticContact CD2-CD2 3.57Å; H243-F318 AromaticContact CD2-CE1 3.56Å; H243-F318 AromaticContact CD2-CE2 3.62Å; H243-F318 AromaticContact CD2-CG 3.52Å; H243-F318 AromaticContact CD2-CZ 3.64Å; H243-F318 AromaticContact CE1-CE1 3.63Å; H243-F318 AromaticContact CE1-CZ 3.69Å; H243-F318 AromaticContact CG-CD1 3.5Å; H243-F318 VanDerWaalsContact CG-CD1 3.5Å; H243-F318 AromaticContact CG-CE1 3.69Å; H243-F318 AromaticContact CG-CG 3.91Å; H243-F318 AromaticContact ND1-CD1 3.96Å; H243-F318 AromaticContact ND1-CE1 3.7Å; H243-F318 AromaticContact NE2-CD1 3.95Å; H243-F318 AromaticContact NE2-CD2 3.94Å; H243-F318 AromaticContact NE2-CE1 3.51Å; H243-F318 AromaticContact NE2-CE2 3.45Å; H243-F318 WeakPolarHBondContact NE2-CE2 3.42Å; H243-F318 AromaticContact NE2-CZ 3.25Å; H243-F318 VanDerWaalsContact NE2-CZ 3.25Å; H243-F318 WeakPolarHBondContact NE2-CZ 3.26Å; H243-H327 AromaticContact CD2-CE1 3.45Å; H243-H327 PolarHBondContact CD2-CE1 2.86Å; H243-H327 VanDerWaalsContact CD2-CE1 3.45Å; H243-H327 AromaticContact CD2-NE2 3.38Å; H243-H327 PolarHBondContact CD2-NE2 2.88Å; H243-H327 AromaticContact NE2-CE1 3.73Å; H243-H327 AromaticContact NE2-NE2 3.16Å; H243-H327 PolarHBondContact NE2-NE2 3.16Å; H243-H327 VanDerWaalsContact NE2-NE2 3.16Å
244	A	98.8	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.5	-44.1	-177.8	0	0	0	0	0	112.1	V240 L241 C242 S247 Y248 S280 A283 L284	V240-A244 WeakPolarHBondContact O-CB 3.32Å; V240-A244 PolarHBondContact O-N 2.91Å; L241-A244 PolarHBondContact O-N 3.25Å; C242-A244 VanDerWaalsContact C-N 3.3Å; C242-A244 PolarHBondContact O-N 3.21Å; A244-S247 PolarHBondContact O-OG 3.03Å; A244-S247 VanDerWaalsContact O-OG 3.07Å; A244-Y248 VanDerWaalsContact O-CB 3.24Å; A244-Y248 WeakPolarHBondContact O-CB 3.48Å; A244-Y248 PolarHBondContact O-N 3.25Å; A244-Y248 VanDerWaalsContact O-N 3.11Å; A244-S280 WeakPolarHBondContact O-CB 3.35Å; A244-A283 HydrophobicContact CB-CB 3.97Å; A244-L284 HydrophobicContact CB-CD2 3.72Å; A244-L284 HydrophobicContact CB-CG 3.82Å
245	L	98.8	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-53.3	177.8	-70.9	173.3	0	0	0	111.8	L241 C242 S247 Y248 T249 L284 F366 A380 L384 L400 L404	L241-L245 HydrophobicContact CD1-CD1 3.77Å; L241-L245 HydrophobicContact CD1-CG 4.1Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.08Å; C242-L245 PolarHBondContact O-N 3.14Å; L245-S247 VanDerWaalsContact C-N 3.34Å; L245-S247 PolarHBondContact O-N 3.07Å; L245-Y248 CarbonylContact O-C 3.55Å; L245-Y248 PolarHBondContact O-N 3.24Å; L245-Y248 VanDerWaalsContact O-N 3.11Å; L245-T249 PolarHBondContact O-N 3.44Å; L245-T249 PolarHBondContact O-OG1 2.91Å; L245-L284 HydrophobicContact CD2-CD1 4.06Å; L245-L284 HydrophobicContact CD2-CD2 3.68Å; L245-L284 HydrophobicContact CG-CD2 3.77Å; L245-F366 HydrophobicContact CB-CE1 3.81Å; L245-F366 HydrophobicContact CB-CE2 3.91Å; L245-F366 HydrophobicContact CB-CZ 3.26Å; L245-F366 HydrophobicContact CD1-CD2 4.31Å; L245-F366 HydrophobicContact CD1-CE2 3.67Å; L245-F366 HydrophobicContact CD1-CZ 3.94Å; L245-F366 HydrophobicContact CG-CE2 4.42Å; L245-F366 HydrophobicContact CG-CZ 4.19Å; L245-A380 HydrophobicContact CD2-CB 3.59Å; L245-L384 HydrophobicContact CD2-CD1 4.32Å; L245-L400 HydrophobicContact CD2-CD1 4.47Å; L245-L400 HydrophobicContact CD2-CD2 4.43Å; L245-L404 HydrophobicContact CD1-CD1 4.19Å; L245-L404 HydrophobicContact CD1-CD2 3.78Å
246	E	98.8	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-36.6	-175.3	-65.4	-166.7	92.6	0	0	112.3	C242 Y248 T249 A250 V323 H324 L325 C326 H327 F366	C242-E246 VanDerWaalsContact O-CB 3.29Å; C242-E246 WeakPolarHBondContact O-CB 3.47Å; C242-E246 VanDerWaalsContact O-CG 3.31Å; C242-E246 WeakPolarHBondContact O-CG 3.24Å; C242-E246 PolarHBondContact O-N 3.48Å; E246-Y248 VanDerWaalsContact C-N 3.32Å; E246-T249 CarbonylContact O-C 3.6Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-A250 WeakPolarHBondContact O-CA 3.28Å; E246-A250 VanDerWaalsContact O-CB 3.22Å; E246-A250 WeakPolarHBondContact O-CB 3.45Å; E246-A250 PolarHBondContact O-N 3.32Å; E246-V323 HydrophobicContact CB-CB 4.12Å; E246-V323 HydrophobicContact CB-CG1 4.21Å; E246-H324 VanDerWaalsContact CG-CE1 3.42Å; E246-H324 WeakPolarHBondContact CG-CE1 3.46Å; E246-H324 PolarHBondContact O-CD2 3.15Å; E246-H324 VanDerWaalsContact OE1-CA 3.25Å; E246-H324 WeakPolarHBondContact OE1-CA 3.39Å; E246-H324 IonicContact OE1-CE1 3.96Å; E246-H324 PolarHBondContact OE1-CE1 2.72Å; E246-H324 IonicContact OE1-CG 3.83Å; E246-H324 VanDerWaalsContact OE1-CG 3.32Å; E246-H324 PolarHBondContact OE1-N 3.24Å; E246-H324 IonicContact OE1-ND1 2.67Å; E246-H324 PolarHBondContact OE1-ND1 3.35Å; E246-L325 PolarHBondContact OE1-N 2.87Å; E246-L325 VanDerWaalsContact OE1-N 3.11Å; E246-C326 VanDerWaalsContact CD-CB 3.43Å; E246-C326 HydrophobicContact CG-CB 4.32Å; E246-C326 WeakPolarHBondContact OE1-CB 3.34Å; E246-C326 PolarHBondContact OE1-N 3.1Å; E246-C326 WeakPolarHBondContact OE2-CB 3.48Å; E246-H327 IonicContact OE2-CE1 3.23Å; E246-H327 IonicContact OE2-CG 2.7Å; E246-H327 PolarHBondContact OE2-N 3.1Å; E246-H327 IonicContact OE2-ND1 3.17Å; E246-H327 PolarHBondContact OE2-ND1 3.42Å; E246-F366 HydrophobicContact CG-CE1 4.46Å; E246-F366 HydrophobicContact CG-CZ 3.82Å
247	S	98.1	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-37.1	173.8	58.5	0	0	0	0	112.3	H243 A244 L245 S272 S280 G322	H243-S247 WeakPolarHBondContact O-CB 3.49Å; H243-S247 PolarHBondContact O-N 2.62Å; H243-S247 PolarHBondContact O-OG 2.71Å; A244-S247 PolarHBondContact O-OG 3.03Å; A244-S247 VanDerWaalsContact O-OG 3.07Å; L245-S247 VanDerWaalsContact C-N 3.34Å; L245-S247 PolarHBondContact O-N 3.07Å; S247-S272 WeakPolarHBondContact O-CB 3.44Å; S247-S280 PolarHBondContact OG-OG 3.12Å; S247-G322 WeakPolarHBondContact CA-O 3.47Å; S247-G322 VanDerWaalsContact CB-O 3.28Å; S247-G322 WeakPolarHBondContact CB-O 3.27Å
248	Y	98.7	Very high	97.2	Very high	11 Å²	11	25.2 Å²	25.2	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-71.3	-33.6	177	-167.8	-125.9	0	0	0	112	A244 L245 E246 D277 R281 R376 E379	A244-Y248 VanDerWaalsContact O-CB 3.24Å; A244-Y248 WeakPolarHBondContact O-CB 3.48Å; A244-Y248 PolarHBondContact O-N 3.25Å; A244-Y248 VanDerWaalsContact O-N 3.11Å; L245-Y248 CarbonylContact O-C 3.55Å; L245-Y248 PolarHBondContact O-N 3.24Å; L245-Y248 VanDerWaalsContact O-N 3.11Å; E246-Y248 VanDerWaalsContact C-N 3.32Å; Y248-D277 HydrophobicContact CD2-CB 4.02Å; Y248-D277 WeakPolarHBondContact CD2-OD1 3.49Å; Y248-D277 HydrophobicContact CE2-CB 3.88Å; Y248-R281 HydrophobicContact CD2-CG 4.2Å; Y248-R281 HydrophobicContact CE1-CG 4.4Å; Y248-R281 HydrophobicContact CE2-CG 3.92Å; Y248-R376 HydrophobicContact CD1-CB 4.01Å; Y248-R376 HydrophobicContact CD1-CG 4.44Å; Y248-R376 HydrophobicContact CE1-CB 3.63Å; Y248-R376 HydrophobicContact CE1-CG 3.85Å; Y248-R376 WeakPolarHBondContact O-CD 3.43Å; Y248-R376 PolarHBondContact O-NH1 3.25Å; Y248-E379 PolarHBondContact OH-OE2 2.7Å
249	T	98.5	Very high	96.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-100.1	1.9	-179	57.9	0	0	0	0	113.8	L245 E246 H324 F366 R376 H377 P445	L245-T249 PolarHBondContact O-N 3.44Å; L245-T249 PolarHBondContact O-OG1 2.91Å; E246-T249 CarbonylContact O-C 3.6Å; E246-T249 PolarHBondContact O-N 2.88Å; T249-H324 PolarHBondContact OG1-NE2 3.32Å; T249-F366 HydrophobicContact CG2-CE1 4.48Å; T249-F366 WeakPolarHBondContact OG1-CE1 2.99Å; T249-R376 HydrophobicContact CG2-CB 4.37Å; T249-H377 VanDerWaalsContact CG2-CE1 3.49Å; T249-H377 WeakPolarHBondContact CG2-CE1 3.38Å; T249-P445 WeakPolarHBondContact O-CB 3.45Å; T249-P445 WeakPolarHBondContact O-CD 3.31Å; T249-P445 WeakPolarHBondContact O-CG 3.38Å
250	A	98.2	Very high	96.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	15%	0.149	C	C	.	.	S	Bend	trans	-57.3	155.4	178.7	0	0	0	0	0	112.5	E246 P252 S272 L443	E246-A250 WeakPolarHBondContact O-CA 3.28Å; E246-A250 VanDerWaalsContact O-CB 3.22Å; E246-A250 WeakPolarHBondContact O-CB 3.45Å; E246-A250 PolarHBondContact O-N 3.32Å; A250-P252 WeakPolarHBondContact O-CD 3.22Å; A250-S272 VanDerWaalsContact O-CB 3.31Å; A250-S272 WeakPolarHBondContact O-CB 3.19Å; A250-S272 PolarHBondContact O-OG 3.35Å; A250-L443 WeakPolarHBondContact CA-O 3.15Å
251	L	97.6	Very high	96.1	Very high	29 Å²	29	32.6 Å²	32.6	15%	0.152	19%	0.187	C	C	.	.			trans	-45.8	123.3	169.4	-176.1	71.1	0	0	0	109.5	Y253 M255 G271 S272 L443	L251-Y253 PolarHBondContact O-N 3.19Å; L251-M255 HydrophobicContact CD1-CB 4.06Å; L251-M255 HydrophobicContact CD1-CE 3.98Å; L251-M255 HydrophobicContact CG-CB 4.25Å; L251-G271 CarbonylContact O-C 3.39Å; L251-G271 WeakPolarHBondContact O-CA 3.37Å; L251-S272 PolarHBondContact O-N 3.31Å; L251-L443 PolarHBondContact N-O 3.08Å
252	P	97.6	Very high	95.7	Very high	42 Å²	42	36.3 Å²	36.3	27%	0.273	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-52.7	138.4	176.9	-34.5	39	0	0	0	113.5	A250 N254 M255 R256 S272	A250-P252 WeakPolarHBondContact O-CD 3.22Å; P252-N254 WeakPolarHBondContact CB-OD1 3.41Å; P252-N254 PolarHBondContact O-N 3.18Å; P252-M255 HydrophobicContact CB-CE 4.03Å; P252-M255 HydrophobicContact CB-CG 4.37Å; P252-M255 VanDerWaalsContact CD-CE 3.45Å; P252-M255 HydrophobicContact CG-CE 3.65Å; P252-M255 PolarHBondContact O-N 3.04Å; P252-R256 PolarHBondContact O-N 2.91Å; P252-S272 WeakPolarHBondContact CA-OG 3.39Å
253	Y	96.8	Very high	95.3	Very high	58 Å²	58	40.5 Å²	40.5	23%	0.227	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.9	-172.5	76	-87.6	0	0	0	114	F44 L251 M255 R256 Q270 S272 N273	F44-Y253 HydrophobicContact CB-CD2 4.09Å; F44-Y253 HydrophobicContact CB-CG 4.14Å; F44-Y253 AromaticContact CD1-CD1 3.82Å; F44-Y253 HydrophobicContact CD1-CD1 3.82Å; F44-Y253 AromaticContact CD1-CD2 3.71Å; F44-Y253 HydrophobicContact CD1-CD2 3.71Å; F44-Y253 AromaticContact CD1-CE1 3.81Å; F44-Y253 HydrophobicContact CD1-CE1 3.81Å; F44-Y253 AromaticContact CD1-CE2 3.71Å; F44-Y253 HydrophobicContact CD1-CE2 3.71Å; F44-Y253 AromaticContact CD1-CG 3.77Å; F44-Y253 HydrophobicContact CD1-CG 3.77Å; F44-Y253 AromaticContact CD1-CZ 3.76Å; F44-Y253 HydrophobicContact CE1-CD1 4.3Å; F44-Y253 AromaticContact CE1-CE1 3.96Å; F44-Y253 HydrophobicContact CE1-CE1 3.96Å; F44-Y253 HydrophobicContact CE1-CE2 4.39Å; F44-Y253 HydrophobicContact CG-CD2 4.36Å; F44-Y253 HydrophobicContact CG-CG 4.31Å; L251-Y253 PolarHBondContact O-N 3.19Å; Y253-M255 VanDerWaalsContact C-N 3.27Å; Y253-M255 PolarHBondContact O-N 2.8Å; Y253-R256 WeakPolarHBondContact O-CB 3.31Å; Y253-R256 PolarHBondContact O-N 3.06Å; Y253-Q270 WeakPolarHBondContact CA-O 3.35Å; Y253-Q270 VanDerWaalsContact CB-O 3.27Å; Y253-Q270 WeakPolarHBondContact CB-O 3.5Å; Y253-S272 WeakPolarHBondContact CD1-O 3.45Å; Y253-S272 PolarHBondContact N-O 2.85Å; Y253-N273 HydrophobicContact CD1-CB 3.82Å; Y253-N273 HydrophobicContact CG-CB 4.39Å
254	N	95.9	Very high	94.7	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-80.2	-5.3	-179.3	65.7	-22.1	0	0	0	114	T40 D41 P252	T40-N254 VanDerWaalsContact CB-O 3.28Å; T40-N254 WeakPolarHBondContact CB-O 3.24Å; T40-N254 PolarHBondContact OG1-O 3.26Å; D41-N254 CarbonylContact O-C 3.5Å; D41-N254 VanDerWaalsContact O-CA 3.25Å; D41-N254 WeakPolarHBondContact O-CA 3.25Å; P252-N254 WeakPolarHBondContact CB-OD1 3.41Å; P252-N254 PolarHBondContact O-N 3.18Å
255	M	95.4	Very high	94.1	Very high	99 Å²	99	49.4 Å²	49.4	49%	0.488	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-103.8	-9.3	173.4	-61.5	-155.9	-65	0	0	112.5	T40 L251 P252 Y253 S257	T40-M255 WeakPolarHBondContact CG2-O 3.32Å; L251-M255 HydrophobicContact CD1-CB 4.06Å; L251-M255 HydrophobicContact CD1-CE 3.98Å; L251-M255 HydrophobicContact CG-CB 4.25Å; P252-M255 HydrophobicContact CB-CE 4.03Å; P252-M255 HydrophobicContact CB-CG 4.37Å; P252-M255 VanDerWaalsContact CD-CE 3.45Å; P252-M255 HydrophobicContact CG-CE 3.65Å; P252-M255 PolarHBondContact O-N 3.04Å; Y253-M255 VanDerWaalsContact C-N 3.27Å; Y253-M255 PolarHBondContact O-N 2.8Å; M255-S257 PolarHBondContact O-N 3.28Å
256	R	94.7	Very high	93.7	Very high	29 Å²	29	50.5 Å²	50.5	11%	0.109	29%	0.285	C	S	.	.			trans	-63.6	132.7	177.2	-166.3	-171.9	69.7	73	1	110.7	T40 D41 P252 Y253 P258	T40-R256 CarbonylContact C-O 3.47Å; T40-R256 WeakPolarHBondContact CA-O 3.49Å; T40-R256 WeakPolarHBondContact CB-O 3.33Å; D41-R256 PolarHBondContact N-O 2.86Å; D41-R256 IonicContact OD2-CZ 3.42Å; D41-R256 IonicContact OD2-NE 3.25Å; D41-R256 IonicContact OD2-NH2 3.25Å; D41-R256 PolarHBondContact OD2-NH2 3.11Å; P252-R256 PolarHBondContact O-N 2.91Å; Y253-R256 WeakPolarHBondContact O-CB 3.31Å; Y253-R256 PolarHBondContact O-N 3.06Å; R256-P258 PolarHBondContact NH1-O 2.91Å
257	S	90.8	Very high	93.3	Very high	76 Å²	76	52.7 Å²	52.7	53%	0.531	30%	0.3	S	S	.	.	S	Bend	trans	-125.8	149	178.5	-177.1	0	0	0	0	110.8	K39 M255	K39-S257 PolarHBondContact O-OG 3.22Å; M255-S257 PolarHBondContact O-N 3.28Å
258	P	91.3	Very high	92.9	Very high	94 Å²	94	53 Å²	53	61%	0.61	30%	0.303	S	S	*	.	S	Bend	cis	-76.5	159.4	-9.6	32.1	-34.8	0	0	0	112.5	K39 R256	K39-P258 WeakPolarHBondContact O-CA 3.15Å; R256-P258 PolarHBondContact NH1-O 2.91Å
259	C	91.6	Very high	92.7	Very high	20 Å²	20	53.3 Å²	53.3	14%	0.135	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.1	128	161.6	-176.1	0	0	0	0	108.9	R38 K39 T40	R38-C259 WeakPolarHBondContact O-CB 3.38Å; K39-C259 PolarHBondContact O-N 3.34Å; K39-C259 VanDerWaalsContact O-N 3.08Å; T40-C259 WeakPolarHBondContact O-CB 3.46Å
260	P	90.6	Very high	92.5	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.104	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.8	135.4	-178.1	28.8	-31	0	0	0	109	D41 N262 N265 R266	D41-P260 VanDerWaalsContact OD2-CD 3.31Å; D41-P260 WeakPolarHBondContact OD2-CD 3.4Å; P260-N262 PolarHBondContact O-N 2.83Å; P260-N262 VanDerWaalsContact O-N 3.16Å; P260-N265 HydrophobicContact CB-CB 4.12Å; P260-R266 VanDerWaalsContact CG-NH2 3.32Å
261	P	90.1	Very high	92.4	Very high	123 Å²	123	53.3 Å²	53.3	80%	0.799	30%	0.303	S	S	*	.	S	Bend	trans	-68.9	-15.7	-175.1	27.8	-35.8	0	0	0	113
262	N	90.4	Very high	92.5	Very high	79 Å²	79	52.1 Å²	52.1	42%	0.422	30%	0.297	S	S	.	.	S	Bend	trans	-142.1	140.8	175.1	-172.8	-57.6	0	0	0	109	P260 I264 N265	P260-N262 PolarHBondContact O-N 2.83Å; P260-N262 VanDerWaalsContact O-N 3.16Å; N262-I264 HydrophobicContact CB-CG2 4.19Å; N262-I264 PolarHBondContact O-N 3.42Å; N262-I264 VanDerWaalsContact O-N 3.16Å; N262-I264 VanDerWaalsContact OD1-CG2 3.28Å; N262-I264 WeakPolarHBondContact OD1-CG2 3.24Å; N262-I264 PolarHBondContact OD1-N 3.01Å; N262-N265 WeakPolarHBondContact O-CB 3.27Å; N262-N265 PolarHBondContact O-N 3.34Å
263	P	89.3	Confident	92.5	Very high	89 Å²	89	50.2 Å²	50.2	58%	0.578	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-48.8	-36.3	174.4	-31.2	37.2	0	0	0	115.3	N265 R266	P263-N265 PolarHBondContact O-N 3.25Å; P263-N265 VanDerWaalsContact O-N 3.17Å; P263-R266 WeakPolarHBondContact O-CB 3.45Å; P263-R266 PolarHBondContact O-N 3.45Å
264	I	85.8	Confident	92.5	Very high	113 Å²	113	51.3 Å²	51.3	58%	0.579	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23.8	178.4	-159.1	171.1	0	0	0	113.2	N262 R266	N262-I264 HydrophobicContact CB-CG2 4.19Å; N262-I264 PolarHBondContact O-N 3.42Å; N262-I264 VanDerWaalsContact O-N 3.16Å; N262-I264 VanDerWaalsContact OD1-CG2 3.28Å; N262-I264 WeakPolarHBondContact OD1-CG2 3.24Å; N262-I264 PolarHBondContact OD1-N 3.01Å; I264-R266 VanDerWaalsContact C-N 3.28Å; I264-R266 PolarHBondContact O-N 3.26Å
265	N	87.4	Confident	92.6	Very high	80 Å²	80	51.3 Å²	51.3	43%	0.428	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-87.8	7.5	178.2	-61.9	-31.5	0	0	0	112.3	P260 N262 P263	P260-N265 HydrophobicContact CB-CB 4.12Å; N262-N265 WeakPolarHBondContact O-CB 3.27Å; N262-N265 PolarHBondContact O-N 3.34Å; P263-N265 PolarHBondContact O-N 3.25Å; P263-N265 VanDerWaalsContact O-N 3.17Å
266	R	90.9	Very high	92.7	Very high	22 Å²	22	46.6 Å²	46.6	8%	0.083	28%	0.275	C	S	.	.			trans	-63.9	125.5	172.5	-152.7	152.9	-101.2	64.2	3.6	109	D41 A43 R211 P260 P263 I264 Q270	D41-R266 IonicContact OD1-CZ 2.86Å; D41-R266 IonicContact OD1-NE 3.54Å; D41-R266 IonicContact OD1-NH2 3.02Å; D41-R266 PolarHBondContact OD1-NH2 3.03Å; D41-R266 IonicContact OD2-CZ 3.57Å; D41-R266 IonicContact OD2-NE 3.9Å; D41-R266 PolarHBondContact OD2-NE 3.33Å; D41-R266 IonicContact OD2-NH2 2.73Å; D41-R266 PolarHBondContact OD2-NH2 3.02Å; A43-R266 PolarHBondContact O-NE 3.42Å; R211-R266 PolarHBondContact NH1-O 3.04Å; R211-R266 VanDerWaalsContact NH1-O 3.1Å; P260-R266 VanDerWaalsContact CG-NH2 3.32Å; P263-R266 WeakPolarHBondContact O-CB 3.45Å; P263-R266 PolarHBondContact O-N 3.45Å; I264-R266 VanDerWaalsContact C-N 3.28Å; I264-R266 PolarHBondContact O-N 3.26Å; R266-Q270 HydrophobicContact CG-CG 4.26Å
267	P	89.9	Confident	92.9	Very high	47 Å²	47	45.7 Å²	45.7	31%	0.305	27%	0.273	S	S	.	.			trans	-61.5	159	174.8	26.9	-34.7	0	0	0	111.1	R211 Y269 Q270	R211-P267 PolarHBondContact NH1-O 3.17Å; R211-P267 PolarHBondContact NH2-O 3.02Å; R211-P267 VanDerWaalsContact NH2-O 3.11Å; P267-Y269 VanDerWaalsContact C-N 3.3Å; P267-Y269 WeakPolarHBondContact CB-O 3.26Å; P267-Y269 WeakPolarHBondContact CG-O 3.49Å; P267-Q270 VanDerWaalsContact O-CG 3.26Å; P267-Q270 WeakPolarHBondContact O-CG 3.5Å
268	A	89.9	Confident	93.2	Very high	7 Å²	7	45.8 Å²	45.8	6%	0.058	27%	0.27	C	S	.	.	S	Bend	trans	-62.8	-42.2	171.2	0	0	0	0	0	110.7	N320	A268-N320 WeakPolarHBondContact O-CA 3.48Å
269	Y	93.9	Very high	93.6	Very high	17 Å²	17	45.2 Å²	45.2	7%	0.067	26%	0.256	C	S	.	.			trans	-94.4	124.3	175.6	-64.1	-6.6	0	0	0	110.9	V194 P267 F318 G322 V323 R439 V440 L443	V194-Y269 HydrophobicContact CG2-CE1 3.89Å; P267-Y269 VanDerWaalsContact C-N 3.3Å; P267-Y269 WeakPolarHBondContact CB-O 3.26Å; P267-Y269 WeakPolarHBondContact CG-O 3.49Å; Y269-F318 HydrophobicContact CE1-CD2 4.3Å; Y269-F318 HydrophobicContact CE1-CE2 4.45Å; Y269-F318 WeakPolarHBondContact CE1-O 3.43Å; Y269-F318 VanDerWaalsContact OH-CE2 3.29Å; Y269-F318 WeakPolarHBondContact OH-CE2 3.48Å; Y269-G322 VanDerWaalsContact CD2-CA 3.45Å; Y269-V323 HydrophobicContact CE2-CG2 4.1Å; Y269-R439 PolarHBondContact OH-NH1 3.42Å; Y269-V440 HydrophobicContact CE2-CG1 4.26Å; Y269-L443 HydrophobicContact CD2-CD1 4.03Å; Y269-L443 HydrophobicContact CG-CD1 4.27Å
270	Q	94.8	Very high	93.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.249	C	C	.	.			trans	-124	-2.2	-162.6	-62.7	167	104	0	0	113.7	F44 E45 R211 Y253 R266 P267 N320 A321	F44-Q270 HydrophobicContact CB-CB 4.32Å; E45-Q270 PolarHBondContact O-NE2 3.07Å; E45-Q270 PolarHBondContact O-OE1 2.86Å; R211-Q270 VanDerWaalsContact NH2-OE1 3.16Å; Y253-Q270 WeakPolarHBondContact CA-O 3.35Å; Y253-Q270 VanDerWaalsContact CB-O 3.27Å; Y253-Q270 WeakPolarHBondContact CB-O 3.5Å; R266-Q270 HydrophobicContact CG-CG 4.26Å; P267-Q270 VanDerWaalsContact O-CG 3.26Å; P267-Q270 WeakPolarHBondContact O-CG 3.5Å; Q270-N320 WeakPolarHBondContact CB-O 3.37Å; Q270-N320 PolarHBondContact N-O 3.03Å; Q270-N320 PolarHBondContact NE2-O 3.1Å; Q270-A321 PolarHBondContact N-O 3.23Å
271	G	96.7	Very high	94.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.			trans	94.3	165	-169.3	0	0	0	0	0	113	L251 N273 A321	L251-G271 CarbonylContact O-C 3.39Å; L251-G271 WeakPolarHBondContact O-CA 3.37Å; G271-N273 PolarHBondContact O-N 3.34Å; G271-N273 PolarHBondContact O-ND2 2.92Å; G271-A321 CarbonylContact C-O 3.56Å; G271-A321 VanDerWaalsContact CA-O 3.29Å; G271-A321 WeakPolarHBondContact CA-O 3Å; G271-A321 PolarHBondContact N-O 3.4Å; G271-A321 VanDerWaalsContact O-CA 3.24Å; G271-A321 WeakPolarHBondContact O-CA 3.29Å; G271-A321 WeakPolarHBondContact O-CB 3.48Å
272	S	97.9	Very high	94.7	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-56	140.9	177.7	57.5	0	0	0	0	110.5	S247 A250 L251 P252 Y253	S247-S272 WeakPolarHBondContact O-CB 3.44Å; A250-S272 VanDerWaalsContact O-CB 3.31Å; A250-S272 WeakPolarHBondContact O-CB 3.19Å; A250-S272 PolarHBondContact O-OG 3.35Å; L251-S272 PolarHBondContact O-N 3.31Å; P252-S272 WeakPolarHBondContact CA-OG 3.39Å; Y253-S272 WeakPolarHBondContact CD1-O 3.45Å; Y253-S272 PolarHBondContact N-O 2.85Å
273	N	97.6	Very high	95.1	Very high	2 Å²	2	42 Å²	42	1%	0.011	22%	0.22	C	C	.	.			trans	-154.7	153.1	-175.7	63.1	83.2	0	0	0	111	F44 Y253 G271 I275 S276 D277	F44-N273 HydrophobicContact CD1-CB 3.94Å; F44-N273 HydrophobicContact CD2-CB 3.91Å; F44-N273 HydrophobicContact CE1-CB 4.01Å; F44-N273 HydrophobicContact CE2-CB 3.96Å; F44-N273 WeakPolarHBondContact CE2-OD1 3.41Å; F44-N273 HydrophobicContact CG-CB 3.9Å; F44-N273 HydrophobicContact CZ-CB 4.02Å; Y253-N273 HydrophobicContact CD1-CB 3.82Å; Y253-N273 HydrophobicContact CG-CB 4.39Å; G271-N273 PolarHBondContact O-N 3.34Å; G271-N273 PolarHBondContact O-ND2 2.92Å; N273-I275 PolarHBondContact O-N 2.83Å; N273-I275 VanDerWaalsContact O-N 3.08Å; N273-I275 PolarHBondContact OD1-N 2.99Å; N273-S276 VanDerWaalsContact CG-OG 3.25Å; N273-S276 WeakPolarHBondContact ND2-CB 3.23Å; N273-S276 PolarHBondContact ND2-OG 2.92Å; N273-S276 PolarHBondContact O-N 3.22Å; N273-S276 VanDerWaalsContact O-N 3.11Å; N273-S276 WeakPolarHBondContact OD1-CB 3.31Å; N273-S276 PolarHBondContact OD1-N 2.66Å; N273-S276 PolarHBondContact OD1-OG 2.84Å; N273-D277 PolarHBondContact O-N 2.91Å
274	P	97.1	Very high	95.5	Very high	81 Å²	81	37.7 Å²	37.7	53%	0.526	19%	0.192	S	C	.	.	H	α-helix	trans	-60.2	-28.1	-171	-26.3	35	0	0	0	115.1
275	I	97.8	Very high	96.2	Very high	78 Å²	78	36.2 Å²	36.2	40%	0.4	19%	0.186	S	C	.	.	H	α-helix	trans	-75.9	-46	178.5	-60.4	-175.5	0	0	0	110.1	F44 M46 N273 D277 V278	F44-I275 HydrophobicContact CE2-CB 4.15Å; F44-I275 HydrophobicContact CE2-CD1 3.8Å; F44-I275 HydrophobicContact CE2-CG1 3.92Å; F44-I275 HydrophobicContact CZ-CD1 4.08Å; F44-I275 HydrophobicContact CZ-CG1 4.01Å; M46-I275 HydrophobicContact CB-CD1 4.46Å; M46-I275 HydrophobicContact CE-CG2 4.17Å; M46-I275 HydrophobicContact CG-CG2 3.96Å; M46-I275 HydrophobicContact SD-CG2 3.84Å; N273-I275 PolarHBondContact O-N 2.83Å; N273-I275 VanDerWaalsContact O-N 3.08Å; N273-I275 PolarHBondContact OD1-N 2.99Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.13Å; I275-V278 PolarHBondContact O-N 2.55Å
276	S	98	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-37.4	178.3	-57.5	0	0	0	0	111.4	N273 V278 W279 S280 G317	N273-S276 VanDerWaalsContact CG-OG 3.25Å; N273-S276 WeakPolarHBondContact ND2-CB 3.23Å; N273-S276 PolarHBondContact ND2-OG 2.92Å; N273-S276 PolarHBondContact O-N 3.22Å; N273-S276 VanDerWaalsContact O-N 3.11Å; N273-S276 WeakPolarHBondContact OD1-CB 3.31Å; N273-S276 PolarHBondContact OD1-N 2.66Å; N273-S276 PolarHBondContact OD1-OG 2.84Å; S276-V278 PolarHBondContact O-N 3.44Å; S276-W279 PolarHBondContact O-N 2.84Å; S276-S280 PolarHBondContact O-N 3.49Å; S276-S280 PolarHBondContact O-OG 3.21Å; S276-G317 WeakPolarHBondContact CB-O 3.34Å; S276-G317 PolarHBondContact OG-O 2.93Å
277	D	98.4	Very high	97.1	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.059	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-29.4	178.7	-69.2	-13.8	0	0	0	113.4	Y248 N273 I275 R281 R376	Y248-D277 HydrophobicContact CD2-CB 4.02Å; Y248-D277 WeakPolarHBondContact CD2-OD1 3.49Å; Y248-D277 HydrophobicContact CE2-CB 3.88Å; N273-D277 PolarHBondContact O-N 2.91Å; I275-D277 VanDerWaalsContact C-N 3.31Å; I275-D277 PolarHBondContact O-N 3.13Å; D277-R281 WeakPolarHBondContact O-CB 3.37Å; D277-R281 VanDerWaalsContact O-CG 3.32Å; D277-R281 WeakPolarHBondContact O-CG 3.25Å; D277-R281 PolarHBondContact O-N 3.07Å; D277-R281 VanDerWaalsContact O-N 3.15Å; D277-R281 PolarHBondContact O-NE 3.37Å; D277-R376 VanDerWaalsContact CG-NH1 3.3Å; D277-R376 IonicContact OD1-CZ 3.67Å; D277-R376 IonicContact OD1-NH1 2.58Å; D277-R376 PolarHBondContact OD1-NH1 3.47Å; D277-R376 IonicContact OD1-NH2 2.72Å; D277-R376 IonicContact OD2-CZ 2.67Å; D277-R376 IonicContact OD2-NH1 2.73Å; D277-R376 PolarHBondContact OD2-NH1 2.91Å; D277-R376 VanDerWaalsContact OD2-NH1 3.11Å; D277-R376 IonicContact OD2-NH2 2.96Å; D277-R376 PolarHBondContact OD2-NH2 3.3Å
278	V	98.4	Very high	97.5	Very high	78 Å²	78	31.5 Å²	31.5	47%	0.473	17%	0.165	S	C	.	.	H	α-helix	trans	-63.7	-47.8	174	174.1	0	0	0	0	110.2	I275 S276 H282	I275-V278 PolarHBondContact O-N 2.55Å; S276-V278 PolarHBondContact O-N 3.44Å; V278-H282 WeakPolarHBondContact O-CB 3.47Å; V278-H282 PolarHBondContact O-N 3.17Å; V278-H282 VanDerWaalsContact O-N 3.08Å
279	W	98.3	Very high	97.9	Very high	81 Å²	81	37.5 Å²	37.5	31%	0.307	19%	0.189	S	C	.	.	H	α-helix	trans	-72.7	-41.4	-177	-57.9	110	0	0	0	112	S276 H282 A283 F313 I316	S276-W279 PolarHBondContact O-N 2.84Å; W279-H282 PolarHBondContact O-N 3.16Å; W279-A283 WeakPolarHBondContact O-CB 3.37Å; W279-A283 PolarHBondContact O-N 3.1Å; W279-F313 VanDerWaalsContact CB-O 3.31Å; W279-F313 WeakPolarHBondContact CB-O 3.18Å; W279-F313 HydrophobicContact CE3-CB 4.27Å; W279-F313 AromaticContact CE3-CD1 3.46Å; W279-F313 HydrophobicContact CE3-CD1 3.46Å; W279-F313 VanDerWaalsContact CE3-CD1 3.46Å; W279-F313 HydrophobicContact CE3-CE1 4.15Å; W279-F313 HydrophobicContact CE3-CG 4.17Å; W279-F313 AromaticContact CZ3-CD1 3.46Å; W279-F313 HydrophobicContact CZ3-CD1 3.46Å; W279-F313 VanDerWaalsContact CZ3-CD1 3.46Å; W279-F313 AromaticContact CZ3-CE1 3.68Å; W279-F313 HydrophobicContact CZ3-CE1 3.68Å; W279-I316 HydrophobicContact CD2-CB 4.48Å; W279-I316 HydrophobicContact CD2-CG2 3.98Å; W279-I316 HydrophobicContact CG-CB 4.3Å; W279-I316 HydrophobicContact CG-CG2 3.81Å
280	S	98.4	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-49.2	176.9	-56.1	0	0	0	0	111.4	A244 S247 S276 H282 A283 L284	A244-S280 WeakPolarHBondContact O-CB 3.35Å; S247-S280 PolarHBondContact OG-OG 3.12Å; S276-S280 PolarHBondContact O-N 3.49Å; S276-S280 PolarHBondContact O-OG 3.21Å; S280-H282 VanDerWaalsContact C-N 3.33Å; S280-H282 PolarHBondContact O-N 3.37Å; S280-A283 PolarHBondContact O-N 2.55Å; S280-L284 WeakPolarHBondContact O-CG 3.47Å; S280-L284 PolarHBondContact O-N 3.38Å
281	R	98.7	Very high	98.3	Very high	87 Å²	87	37.8 Å²	37.8	33%	0.328	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-39.1	176.8	-71.8	-179.2	-66.3	174.1	-0.6	112.4	Y248 D277 L284 N285 E379 I383	Y248-R281 HydrophobicContact CD2-CG 4.2Å; Y248-R281 HydrophobicContact CE1-CG 4.4Å; Y248-R281 HydrophobicContact CE2-CG 3.92Å; D277-R281 WeakPolarHBondContact O-CB 3.37Å; D277-R281 VanDerWaalsContact O-CG 3.32Å; D277-R281 WeakPolarHBondContact O-CG 3.25Å; D277-R281 PolarHBondContact O-N 3.07Å; D277-R281 VanDerWaalsContact O-N 3.15Å; D277-R281 PolarHBondContact O-NE 3.37Å; R281-L284 PolarHBondContact O-N 2.8Å; R281-N285 PolarHBondContact O-N 2.9Å; R281-N285 PolarHBondContact O-ND2 3.43Å; R281-E379 WeakPolarHBondContact CD-OE1 3.43Å; R281-E379 IonicContact NH1-OE1 3.67Å; R281-E379 PolarHBondContact NH1-OE1 3.05Å; R281-I383 HydrophobicContact CB-CD1 4.41Å; R281-I383 HydrophobicContact CG-CD1 4.3Å
282	H	98.7	Very high	98.4	Very high	83 Å²	83	41 Å²	41	38%	0.384	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-43.5	176.8	-170.5	61.9	0	0	0	111.6	V278 W279 S280 L284 N285 V286 F313	V278-H282 WeakPolarHBondContact O-CB 3.47Å; V278-H282 PolarHBondContact O-N 3.17Å; V278-H282 VanDerWaalsContact O-N 3.08Å; W279-H282 PolarHBondContact O-N 3.16Å; S280-H282 VanDerWaalsContact C-N 3.33Å; S280-H282 PolarHBondContact O-N 3.37Å; H282-L284 VanDerWaalsContact C-N 3.35Å; H282-L284 PolarHBondContact O-N 2.92Å; H282-N285 WeakPolarHBondContact O-CB 3.4Å; H282-N285 PolarHBondContact O-N 2.73Å; H282-V286 WeakPolarHBondContact O-CG2 3.41Å; H282-V286 PolarHBondContact O-N 3.16Å; H282-F313 AromaticContact CD2-CD2 3.34Å; H282-F313 WeakPolarHBondContact CD2-CD2 3.41Å; H282-F313 AromaticContact CD2-CE2 3.36Å; H282-F313 WeakPolarHBondContact CD2-CE2 3.36Å; H282-F313 AromaticContact CD2-CG 3.88Å; H282-F313 AromaticContact CD2-CZ 3.91Å; H282-F313 AromaticContact NE2-CD2 3.88Å; H282-F313 AromaticContact NE2-CE2 3.41Å; H282-F313 WeakPolarHBondContact NE2-CE2 3.34Å; H282-F313 AromaticContact NE2-CZ 3.92Å
283	A	98.8	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-44.1	174.3	0	0	0	0	0	111.8	A244 W279 S280 N285 V286 V287 F313 A314	A244-A283 HydrophobicContact CB-CB 3.97Å; W279-A283 WeakPolarHBondContact O-CB 3.37Å; W279-A283 PolarHBondContact O-N 3.1Å; S280-A283 PolarHBondContact O-N 2.55Å; A283-N285 VanDerWaalsContact C-N 3.34Å; A283-N285 PolarHBondContact O-N 2.83Å; A283-V286 PolarHBondContact O-N 3.05Å; A283-V286 VanDerWaalsContact O-N 3.16Å; A283-V287 WeakPolarHBondContact O-CG2 3.27Å; A283-V287 PolarHBondContact O-N 3.07Å; A283-F313 HydrophobicContact CB-CB 4.25Å; A283-A314 HydrophobicContact CB-CB 4.12Å
284	L	98.8	Very high	98.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-43.6	175.2	-68.3	173.1	0	0	0	112.4	L241 A244 L245 S280 R281 H282 V286 V287 A288 A380 I383 L384	L241-L284 HydrophobicContact CD1-CD2 3.92Å; A244-L284 HydrophobicContact CB-CD2 3.72Å; A244-L284 HydrophobicContact CB-CG 3.82Å; L245-L284 HydrophobicContact CD2-CD1 4.06Å; L245-L284 HydrophobicContact CD2-CD2 3.68Å; L245-L284 HydrophobicContact CG-CD2 3.77Å; S280-L284 WeakPolarHBondContact O-CG 3.47Å; S280-L284 PolarHBondContact O-N 3.38Å; R281-L284 PolarHBondContact O-N 2.8Å; H282-L284 VanDerWaalsContact C-N 3.35Å; H282-L284 PolarHBondContact O-N 2.92Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 3.41Å; L284-V287 PolarHBondContact O-N 3.21Å; L284-A288 WeakPolarHBondContact O-CB 3.35Å; L284-A288 PolarHBondContact O-N 3.44Å; L284-A380 HydrophobicContact CD1-CB 4.26Å; L284-I383 HydrophobicContact CB-CB 4.5Å; L284-I383 HydrophobicContact CB-CG2 3.59Å; L284-I383 HydrophobicContact CD1-CD1 4.46Å; L284-L384 HydrophobicContact CD2-CD2 4.45Å
285	N	98.8	Very high	98.4	Very high	82 Å²	82	42.2 Å²	42.2	44%	0.439	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-39.9	176.8	-83.1	-83.2	0	0	0	112.2	R281 H282 A283 K289 I383	R281-N285 PolarHBondContact O-N 2.9Å; R281-N285 PolarHBondContact O-ND2 3.43Å; H282-N285 WeakPolarHBondContact O-CB 3.4Å; H282-N285 PolarHBondContact O-N 2.73Å; A283-N285 VanDerWaalsContact C-N 3.34Å; A283-N285 PolarHBondContact O-N 2.83Å; N285-K289 WeakPolarHBondContact O-CB 3.17Å; N285-K289 PolarHBondContact O-N 3.16Å; N285-I383 HydrophobicContact CB-CG2 4.32Å
286	V	98.8	Very high	98.4	Very high	15 Å²	15	43.4 Å²	43.4	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-43.4	177.5	-178.8	0	0	0	0	110.6	H282 A283 L284 K289 Y290 S306 A310	H282-V286 WeakPolarHBondContact O-CG2 3.41Å; H282-V286 PolarHBondContact O-N 3.16Å; A283-V286 PolarHBondContact O-N 3.05Å; A283-V286 VanDerWaalsContact O-N 3.16Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 3.41Å; V286-K289 PolarHBondContact O-N 3.35Å; V286-Y290 HydrophobicContact CG1-CD2 3.81Å; V286-Y290 WeakPolarHBondContact O-CB 3.25Å; V286-Y290 WeakPolarHBondContact O-CD2 3.15Å; V286-Y290 PolarHBondContact O-N 3.37Å; V286-S306 VanDerWaalsContact CG1-O 3.3Å; V286-S306 WeakPolarHBondContact CG1-O 3.35Å; V286-A310 HydrophobicContact CB-CB 3.98Å; V286-A310 HydrophobicContact CG1-CB 3.67Å
287	V	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-52.3	174.9	166.6	0	0	0	0	110.6	V240 L241 A283 L284 K289 Y290 M291 M307 L384 F407	V240-V287 HydrophobicContact CB-CG2 4.37Å; V240-V287 HydrophobicContact CG1-CG2 3.76Å; L241-V287 HydrophobicContact CB-CG1 4.26Å; L241-V287 HydrophobicContact CD1-CG1 4.03Å; A283-V287 WeakPolarHBondContact O-CG2 3.27Å; A283-V287 PolarHBondContact O-N 3.07Å; L284-V287 PolarHBondContact O-N 3.21Å; V287-K289 PolarHBondContact O-N 2.88Å; V287-Y290 PolarHBondContact O-N 2.97Å; V287-M291 HydrophobicContact CG1-CB 4.05Å; V287-M291 HydrophobicContact CG1-SD 3.74Å; V287-M291 WeakPolarHBondContact O-CB 3.34Å; V287-M291 PolarHBondContact O-N 3.3Å; V287-M307 HydrophobicContact CG2-CE 4.11Å; V287-M307 HydrophobicContact CG2-SD 4.38Å; V287-L384 HydrophobicContact CG1-CD2 4.38Å; V287-F407 HydrophobicContact CG1-CE1 4.35Å
288	A	98.6	Very high	98.1	Very high	34 Å²	34	48.3 Å²	48.3	28%	0.281	24%	0.238	S	C	.	.	H	α-helix	trans	-54.5	-40.1	179.7	0	0	0	0	0	112.3	L284 I383 L384	L284-A288 WeakPolarHBondContact O-CB 3.35Å; L284-A288 PolarHBondContact O-N 3.44Å; A288-I383 WeakPolarHBondContact CB-O 3.36Å; A288-L384 HydrophobicContact CB-CD2 4.26Å
289	K	98.6	Very high	98	Very high	133 Å²	133	52 Å²	52	58%	0.578	25%	0.25	S	S	*	.	H	α-helix	trans	-84.4	-34.4	-174.8	-174.4	168.2	-179.4	172.6	0	114.5	N285 V286 V287	N285-K289 WeakPolarHBondContact O-CB 3.17Å; N285-K289 PolarHBondContact O-N 3.16Å; V286-K289 PolarHBondContact O-N 3.35Å; V287-K289 PolarHBondContact O-N 2.88Å
290	Y	98.8	Very high	98	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-124	-21.7	-165	-64	-73.2	0	0	0	115	V286 V287 K292 R293 A294 K302 A303	V286-Y290 HydrophobicContact CG1-CD2 3.81Å; V286-Y290 WeakPolarHBondContact O-CB 3.25Å; V286-Y290 WeakPolarHBondContact O-CD2 3.15Å; V286-Y290 PolarHBondContact O-N 3.37Å; V287-Y290 PolarHBondContact O-N 2.97Å; Y290-K292 PolarHBondContact O-N 2.85Å; Y290-R293 PolarHBondContact O-N 2.93Å; Y290-R293 VanDerWaalsContact O-N 3.15Å; Y290-A294 WeakPolarHBondContact O-CB 3.45Å; Y290-A294 PolarHBondContact O-N 3.28Å; Y290-K302 HydrophobicContact CE1-CD 4.42Å; Y290-K302 HydrophobicContact CE1-CG 4.17Å; Y290-K302 WeakPolarHBondContact OH-CE 3.29Å; Y290-A303 HydrophobicContact CD1-CB 4.13Å
291	M	98.3	Very high	97.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-50.3	-173.5	-178.7	178.3	177.4	0	0	112	F238 V287 R293 A294 V295 M307 L411	F238-M291 HydrophobicContact CB-CE 4.4Å; F238-M291 HydrophobicContact CD1-CE 3.41Å; F238-M291 VanDerWaalsContact CD1-CE 3.41Å; F238-M291 HydrophobicContact CD2-CE 4.19Å; F238-M291 HydrophobicContact CE1-CE 3.52Å; F238-M291 HydrophobicContact CE2-CE 4.28Å; F238-M291 HydrophobicContact CG-CE 3.74Å; F238-M291 HydrophobicContact CZ-CE 3.97Å; F238-M291 VanDerWaalsContact N-CE 3.3Å; V287-M291 HydrophobicContact CG1-CB 4.05Å; V287-M291 HydrophobicContact CG1-SD 3.74Å; V287-M291 WeakPolarHBondContact O-CB 3.34Å; V287-M291 PolarHBondContact O-N 3.3Å; M291-R293 VanDerWaalsContact C-N 3.27Å; M291-R293 PolarHBondContact O-N 3.29Å; M291-A294 PolarHBondContact O-N 3.38Å; M291-V295 HydrophobicContact CG-CG2 4.48Å; M291-V295 WeakPolarHBondContact O-CG2 3.47Å; M291-V295 PolarHBondContact O-N 3.41Å; M291-M307 HydrophobicContact CB-CE 4.12Å; M291-M307 HydrophobicContact CB-SD 3.84Å; M291-M307 HydrophobicContact CG-CE 4.21Å; M291-L411 HydrophobicContact CE-CD1 3.57Å; M291-L411 HydrophobicContact CG-CD1 4.23Å; M291-L411 HydrophobicContact SD-CD1 4.19Å
292	K	98.2	Very high	97.9	Very high	68 Å²	68	54 Å²	54	30%	0.296	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-38.4	180	-66.2	177.8	176.2	177.2	0	112.9	Y290 N296 D410 L411	Y290-K292 PolarHBondContact O-N 2.85Å; K292-N296 WeakPolarHBondContact O-CB 3.31Å; K292-N296 VanDerWaalsContact O-CG 3.25Å; K292-N296 PolarHBondContact O-N 3.31Å; K292-N296 VanDerWaalsContact O-N 3.1Å; K292-N296 PolarHBondContact O-ND2 3.02Å; K292-D410 VanDerWaalsContact CE-OD2 3.29Å; K292-D410 WeakPolarHBondContact CE-OD2 3.4Å; K292-D410 IonicContact NZ-OD2 2.62Å; K292-D410 PolarHBondContact NZ-OD2 3.27Å; K292-L411 HydrophobicContact CB-CD2 4.43Å; K292-L411 HydrophobicContact CG-CD2 4.14Å; K292-L411 HydrophobicContact CG-CG 4.45Å
293	R	98.3	Very high	97.9	Very high	102 Å²	102	50 Å²	50	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-46.8	176.6	-73.2	169.3	52.7	-167.2	-2.8	111.8	Y290 M291 V295 N296 D297 D300 A303	Y290-R293 PolarHBondContact O-N 2.93Å; Y290-R293 VanDerWaalsContact O-N 3.15Å; M291-R293 VanDerWaalsContact C-N 3.27Å; M291-R293 PolarHBondContact O-N 3.29Å; R293-V295 VanDerWaalsContact C-N 3.27Å; R293-V295 PolarHBondContact O-N 3.44Å; R293-N296 PolarHBondContact O-N 3.27Å; R293-D297 PolarHBondContact O-N 2.9Å; R293-D300 IonicContact CZ-OD2 3.37Å; R293-D300 IonicContact NE-OD2 3.43Å; R293-D300 PolarHBondContact NE-OD2 3.06Å; R293-D300 VanDerWaalsContact NH2-CG 3.34Å; R293-D300 IonicContact NH2-OD1 2.7Å; R293-D300 PolarHBondContact NH2-OD1 3.34Å; R293-D300 VanDerWaalsContact NH2-OD1 3.12Å; R293-D300 IonicContact NH2-OD2 3.56Å; R293-D300 PolarHBondContact NH2-OD2 2.98Å; R293-A303 HydrophobicContact CB-CB 3.71Å
294	A	98.1	Very high	97.9	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-38.1	179.5	0	0	0	0	0	111.8	Y290 M291 A303 R304 M307	Y290-A294 WeakPolarHBondContact O-CB 3.45Å; Y290-A294 PolarHBondContact O-N 3.28Å; M291-A294 PolarHBondContact O-N 3.38Å; A294-A303 HydrophobicContact CB-CB 3.91Å; A294-R304 PolarHBondContact O-NE 2.92Å; A294-R304 PolarHBondContact O-NH2 3.38Å; A294-M307 HydrophobicContact CB-CB 4.35Å; A294-M307 HydrophobicContact CB-CG 3.7Å
295	V	97.7	Very high	97.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-51.5	176.3	175.6	0	0	0	0	111.1	E230 A234 M291 R293 D297 L411	E230-V295 HydrophobicContact CG-CG1 3.81Å; A234-V295 HydrophobicContact CB-CG1 3.93Å; A234-V295 HydrophobicContact CB-CG2 3.96Å; M291-V295 HydrophobicContact CG-CG2 4.48Å; M291-V295 WeakPolarHBondContact O-CG2 3.47Å; M291-V295 PolarHBondContact O-N 3.41Å; R293-V295 VanDerWaalsContact C-N 3.27Å; R293-V295 PolarHBondContact O-N 3.44Å; V295-D297 VanDerWaalsContact C-N 3.34Å; V295-D297 PolarHBondContact O-N 3.02Å; V295-L411 HydrophobicContact CB-CD2 3.94Å; V295-L411 HydrophobicContact CG1-CD2 3.95Å; V295-L411 HydrophobicContact CG2-CD2 4.21Å
296	N	97.2	Very high	97.8	Very high	103 Å²	103	48.1 Å²	48.1	55%	0.551	24%	0.243	S	C	*	.	H	α-helix	trans	-75.8	-19.8	-171.9	-68.7	-30.8	0	0	0	114.3	K292 R293	K292-N296 WeakPolarHBondContact O-CB 3.31Å; K292-N296 VanDerWaalsContact O-CG 3.25Å; K292-N296 PolarHBondContact O-N 3.31Å; K292-N296 VanDerWaalsContact O-N 3.1Å; K292-N296 PolarHBondContact O-ND2 3.02Å; R293-N296 PolarHBondContact O-N 3.27Å
297	D	96.9	Very high	97.8	Very high	76 Å²	76	47.7 Å²	47.7	41%	0.406	24%	0.24	S	C	.	.			trans	-136.5	110	-179.2	-171.6	-2.5	0	0	0	110.6	R293 V295 E299 D300	R293-D297 PolarHBondContact O-N 2.9Å; V295-D297 VanDerWaalsContact C-N 3.34Å; V295-D297 PolarHBondContact O-N 3.02Å; D297-E299 VanDerWaalsContact C-N 3.26Å; D297-E299 WeakPolarHBondContact OD1-CB 3.29Å; D297-E299 PolarHBondContact OD1-N 3.32Å; D297-D300 HydrophobicContact CB-CB 3.97Å; D297-D300 PolarHBondContact OD1-N 2.87Å
298	A	93.8	Very high	97.8	Very high	38 Å²	38	47.7 Å²	47.7	31%	0.314	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.1	176.7	0	0	0	0	0	112.7
299	E	95.6	Very high	97.7	Very high	154 Å²	154	47.8 Å²	47.8	72%	0.72	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.1	-178.9	-56.7	-60.6	133.4	0	0	112.3	D297 V301	D297-E299 VanDerWaalsContact C-N 3.26Å; D297-E299 WeakPolarHBondContact OD1-CB 3.29Å; D297-E299 PolarHBondContact OD1-N 3.32Å; E299-V301 PolarHBondContact O-N 3.28Å
300	D	97.8	Very high	97.7	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.139	21%	0.208	C	C	.	.			trans	-72.5	76.9	171.1	-170.4	-19.2	0	0	0	109.7	R293 D297 K302 A303 R304	R293-D300 IonicContact CZ-OD2 3.37Å; R293-D300 IonicContact NE-OD2 3.43Å; R293-D300 PolarHBondContact NE-OD2 3.06Å; R293-D300 VanDerWaalsContact NH2-CG 3.34Å; R293-D300 IonicContact NH2-OD1 2.7Å; R293-D300 PolarHBondContact NH2-OD1 3.34Å; R293-D300 VanDerWaalsContact NH2-OD1 3.12Å; R293-D300 IonicContact NH2-OD2 3.56Å; R293-D300 PolarHBondContact NH2-OD2 2.98Å; D297-D300 HydrophobicContact CB-CB 3.97Å; D297-D300 PolarHBondContact OD1-N 2.87Å; D300-K302 PolarHBondContact O-N 2.76Å; D300-K302 VanDerWaalsContact O-N 3.12Å; D300-K302 PolarHBondContact OD1-N 3.09Å; D300-A303 HydrophobicContact CB-CB 4Å; D300-A303 PolarHBondContact O-N 3.36Å; D300-A303 PolarHBondContact OD1-N 3.43Å; D300-A303 WeakPolarHBondContact OD2-CB 3.25Å; D300-R304 WeakPolarHBondContact O-CG 3.27Å; D300-R304 PolarHBondContact O-N 2.81Å
301	V	97.3	Very high	97.7	Very high	58 Å²	58	40.3 Å²	40.3	35%	0.352	20%	0.204	S	C	.	.	H	α-helix	trans	-52.1	-38.9	-179.1	178.3	0	0	0	0	110.5	L226 E299 R304 S305	L226-V301 HydrophobicContact CD1-CG2 4.36Å; L226-V301 HydrophobicContact CD2-CG2 4.15Å; E299-V301 PolarHBondContact O-N 3.28Å; V301-R304 PolarHBondContact O-N 2.83Å; V301-S305 WeakPolarHBondContact O-CB 3.2Å; V301-S305 PolarHBondContact O-N 3.45Å; V301-S305 PolarHBondContact O-OG 2.91Å
302	K	98.4	Very high	97.7	Very high	127 Å²	127	40.4 Å²	40.4	55%	0.552	21%	0.205	S	C	*	.	H	α-helix	trans	-64.7	-46.5	179.1	-176.1	173.8	-176.1	172.2	0	111.5	Y290 D300 S306	Y290-K302 HydrophobicContact CE1-CD 4.42Å; Y290-K302 HydrophobicContact CE1-CG 4.17Å; Y290-K302 WeakPolarHBondContact OH-CE 3.29Å; D300-K302 PolarHBondContact O-N 2.76Å; D300-K302 VanDerWaalsContact O-N 3.12Å; D300-K302 PolarHBondContact OD1-N 3.09Å; K302-S306 VanDerWaalsContact O-CB 3.24Å; K302-S306 WeakPolarHBondContact O-CB 3.45Å; K302-S306 PolarHBondContact O-N 3.44Å; K302-S306 PolarHBondContact O-OG 2.98Å
303	A	98.5	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-42.9	178.3	0	0	0	0	0	111.7	Y290 R293 A294 D300 S306 M307	Y290-A303 HydrophobicContact CD1-CB 4.13Å; R293-A303 HydrophobicContact CB-CB 3.71Å; A294-A303 HydrophobicContact CB-CB 3.91Å; D300-A303 HydrophobicContact CB-CB 4Å; D300-A303 PolarHBondContact O-N 3.36Å; D300-A303 PolarHBondContact OD1-N 3.43Å; D300-A303 WeakPolarHBondContact OD2-CB 3.25Å; A303-S306 PolarHBondContact O-N 3.01Å; A303-M307 WeakPolarHBondContact O-CG 3.48Å; A303-M307 PolarHBondContact O-N 3.14Å
304	R	97.9	Very high	97.7	Very high	6 Å²	6	34.1 Å²	34.1	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-46.3	177	-71.8	-75.1	176.4	147	-5	112.4	T225 L226 M228 A294 D300 V301 M307 H308	T225-R304 PolarHBondContact O-NH1 3.37Å; T225-R304 PolarHBondContact OG1-O 2.87Å; L226-R304 HydrophobicContact CD2-CB 3.76Å; L226-R304 HydrophobicContact CD2-CG 3.91Å; M228-R304 PolarHBondContact O-NH1 3.16Å; A294-R304 PolarHBondContact O-NE 2.92Å; A294-R304 PolarHBondContact O-NH2 3.38Å; D300-R304 WeakPolarHBondContact O-CG 3.27Å; D300-R304 PolarHBondContact O-N 2.81Å; V301-R304 PolarHBondContact O-N 2.83Å; R304-M307 PolarHBondContact O-N 3.3Å; R304-H308 WeakPolarHBondContact O-CB 3.38Å; R304-H308 PolarHBondContact O-N 2.94Å
305	S	97.9	Very high	97.6	Very high	12 Å²	12	33.9 Å²	33.9	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-43.9	175.2	-56.9	0	0	0	0	112	P222 V301 H308 L309	P222-S305 WeakPolarHBondContact CB-OG 3.13Å; V301-S305 WeakPolarHBondContact O-CB 3.2Å; V301-S305 PolarHBondContact O-N 3.45Å; V301-S305 PolarHBondContact O-OG 2.91Å; S305-H308 WeakPolarHBondContact O-CB 3.49Å; S305-H308 PolarHBondContact O-N 3.31Å; S305-L309 PolarHBondContact O-N 3.43Å
306	S	98.6	Very high	97.6	Very high	24 Å²	24	34.3 Å²	34.3	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-43.1	179.9	-59.7	0	0	0	0	111	V286 K302 A303 H308 L309 A310	V286-S306 VanDerWaalsContact CG1-O 3.3Å; V286-S306 WeakPolarHBondContact CG1-O 3.35Å; K302-S306 VanDerWaalsContact O-CB 3.24Å; K302-S306 WeakPolarHBondContact O-CB 3.45Å; K302-S306 PolarHBondContact O-N 3.44Å; K302-S306 PolarHBondContact O-OG 2.98Å; A303-S306 PolarHBondContact O-N 3.01Å; S306-H308 VanDerWaalsContact C-N 3.35Å; S306-L309 PolarHBondContact O-N 3.33Å; S306-A310 WeakPolarHBondContact O-CB 3.29Å; S306-A310 PolarHBondContact O-N 2.77Å
307	M	98.6	Very high	97.6	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-35	174.8	-74	-56.8	-58.4	0	0	112.6	A185 V240 V287 M291 A294 A303 R304 L309 A310 S311	A185-M307 HydrophobicContact CB-CB 4.13Å; V240-M307 HydrophobicContact CB-CE 4.48Å; V287-M307 HydrophobicContact CG2-CE 4.11Å; V287-M307 HydrophobicContact CG2-SD 4.38Å; M291-M307 HydrophobicContact CB-CE 4.12Å; M291-M307 HydrophobicContact CB-SD 3.84Å; M291-M307 HydrophobicContact CG-CE 4.21Å; A294-M307 HydrophobicContact CB-CB 4.35Å; A294-M307 HydrophobicContact CB-CG 3.7Å; A303-M307 WeakPolarHBondContact O-CG 3.48Å; A303-M307 PolarHBondContact O-N 3.14Å; R304-M307 PolarHBondContact O-N 3.3Å; M307-L309 PolarHBondContact O-N 3.49Å; M307-A310 HydrophobicContact CE-CB 4.48Å; M307-A310 WeakPolarHBondContact O-CB 3.42Å; M307-A310 PolarHBondContact O-N 3.28Å; M307-A310 VanDerWaalsContact O-N 3.16Å; M307-A310 HydrophobicContact SD-CB 4.32Å; M307-S311 PolarHBondContact O-N 3.22Å
308	H	98.2	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-48.2	173.8	-157.3	164.9	0	0	0	110.6	P182 A185 D221 T225 R304 S305 S306 A310 S311 V312	P182-H308 WeakPolarHBondContact CG-NE2 3.5Å; P182-H308 PolarHBondContact O-CE1 2.62Å; A185-H308 HydrophobicContact CB-CB 4.42Å; D221-H308 PolarHBondContact O-CE1 3Å; D221-H308 PolarHBondContact O-ND1 2.96Å; D221-H308 VanDerWaalsContact O-ND1 3.13Å; T225-H308 HydrophobicContact CG2-CB 3.99Å; T225-H308 WeakPolarHBondContact CG2-ND1 3.42Å; R304-H308 WeakPolarHBondContact O-CB 3.38Å; R304-H308 PolarHBondContact O-N 2.94Å; S305-H308 WeakPolarHBondContact O-CB 3.49Å; S305-H308 PolarHBondContact O-N 3.31Å; S306-H308 VanDerWaalsContact C-N 3.35Å; H308-A310 PolarHBondContact O-N 2.87Å; H308-S311 WeakPolarHBondContact O-CB 3.45Å; H308-S311 PolarHBondContact O-N 3.38Å; H308-V312 PolarHBondContact O-N 3.5Å
309	L	97.7	Very high	97.7	Very high	36 Å²	36	24.4 Å²	24.4	19%	0.188	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-33.4	172.8	-81	176.6	0	0	0	113.5	Y53 V220 S305 S306 M307 S311 V312 F313	Y53-L309 HydrophobicContact CD1-CD1 4.19Å; Y53-L309 HydrophobicContact CD2-CD1 3.98Å; Y53-L309 HydrophobicContact CD2-CD2 3.45Å; Y53-L309 VanDerWaalsContact CD2-CD2 3.45Å; Y53-L309 HydrophobicContact CD2-CG 3.65Å; Y53-L309 HydrophobicContact CE1-CD1 3.86Å; Y53-L309 HydrophobicContact CE2-CD1 3.63Å; Y53-L309 HydrophobicContact CE2-CD2 3.86Å; Y53-L309 HydrophobicContact CE2-CG 3.47Å; Y53-L309 VanDerWaalsContact CE2-CG 3.47Å; Y53-L309 HydrophobicContact CG-CD1 4.24Å; Y53-L309 HydrophobicContact CG-CD2 3.82Å; Y53-L309 HydrophobicContact CG-CG 4.27Å; V220-L309 HydrophobicContact CG1-CD2 4.43Å; S305-L309 PolarHBondContact O-N 3.43Å; S306-L309 PolarHBondContact O-N 3.33Å; M307-L309 PolarHBondContact O-N 3.49Å; L309-S311 PolarHBondContact O-N 3.45Å; L309-V312 HydrophobicContact CD2-CG2 4.41Å; L309-V312 WeakPolarHBondContact O-CB 3.3Å; L309-V312 PolarHBondContact O-N 3.15Å; L309-V312 VanDerWaalsContact O-N 3.1Å; L309-F313 HydrophobicContact CB-CD2 4.44Å; L309-F313 HydrophobicContact CB-CE2 3.86Å; L309-F313 HydrophobicContact CB-CZ 4.27Å; L309-F313 WeakPolarHBondContact O-CD2 3.32Å; L309-F313 VanDerWaalsContact O-CG 3.3Å; L309-F313 WeakPolarHBondContact O-CG 3.44Å; L309-F313 PolarHBondContact O-N 2.83Å
310	A	98.6	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.3	-38.6	175	0	0	0	0	0	111.6	V240 V286 S306 M307 H308 F313 A314	V240-A310 HydrophobicContact CG1-CB 3.96Å; V286-A310 HydrophobicContact CB-CB 3.98Å; V286-A310 HydrophobicContact CG1-CB 3.67Å; S306-A310 WeakPolarHBondContact O-CB 3.29Å; S306-A310 PolarHBondContact O-N 2.77Å; M307-A310 HydrophobicContact CE-CB 4.48Å; M307-A310 WeakPolarHBondContact O-CB 3.42Å; M307-A310 PolarHBondContact O-N 3.28Å; M307-A310 VanDerWaalsContact O-N 3.16Å; M307-A310 HydrophobicContact SD-CB 4.32Å; H308-A310 PolarHBondContact O-N 2.87Å; A310-F313 PolarHBondContact O-N 3.39Å; A310-A314 WeakPolarHBondContact O-CB 3.41Å; A310-A314 PolarHBondContact O-N 3.17Å
311	S	98.1	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-41.5	174.5	-174.8	0	0	0	0	112.2	G186 G188 M307 H308 L309 A314 G315	G186-S311 WeakPolarHBondContact CA-OG 3.45Å; G186-S311 PolarHBondContact N-OG 3.16Å; G186-S311 VanDerWaalsContact N-OG 3.07Å; G186-S311 PolarHBondContact O-OG 3.32Å; G188-S311 PolarHBondContact N-OG 3.22Å; G188-S311 VanDerWaalsContact N-OG 3.08Å; M307-S311 PolarHBondContact O-N 3.22Å; H308-S311 WeakPolarHBondContact O-CB 3.45Å; H308-S311 PolarHBondContact O-N 3.38Å; L309-S311 PolarHBondContact O-N 3.45Å; S311-A314 PolarHBondContact O-N 3.19Å; S311-G315 PolarHBondContact O-N 3.15Å
312	V	98.1	Very high	97.6	Very high	3 Å²	3	13 Å²	13	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-60.9	-48.6	173.9	-179.4	0	0	0	0	110.5	I51 E190 T191 V220 H308 L309 G315 I316	I51-V312 HydrophobicContact CD1-CG1 4.23Å; I51-V312 HydrophobicContact CG1-CG1 4.01Å; I51-V312 HydrophobicContact CG2-CG1 4.14Å; E190-V312 WeakPolarHBondContact OE1-CG2 3.34Å; T191-V312 HydrophobicContact CG2-CB 4.47Å; T191-V312 HydrophobicContact CG2-CG1 3.87Å; V220-V312 HydrophobicContact CB-CG2 4.36Å; V220-V312 HydrophobicContact CG1-CG2 3.94Å; V220-V312 HydrophobicContact CG2-CG2 3.56Å; H308-V312 PolarHBondContact O-N 3.5Å; L309-V312 HydrophobicContact CD2-CG2 4.41Å; L309-V312 WeakPolarHBondContact O-CB 3.3Å; L309-V312 PolarHBondContact O-N 3.15Å; L309-V312 VanDerWaalsContact O-N 3.1Å; V312-G315 PolarHBondContact O-N 2.64Å; V312-I316 HydrophobicContact CG1-CD1 3.97Å; V312-I316 VanDerWaalsContact O-CG1 3.28Å; V312-I316 WeakPolarHBondContact O-CG1 3.46Å; V312-I316 PolarHBondContact O-N 3.43Å
313	F	98.3	Very high	97.5	Very high	37 Å²	37	7 Å²	7	16%	0.162	4%	0.038	C	C	.	.	H	α-helix	trans	-62.6	-47.6	-179.9	-59.8	-43.9	0	0	0	111.4	W279 H282 A283 L309 A310 G315 I316 G317	W279-F313 VanDerWaalsContact CB-O 3.31Å; W279-F313 WeakPolarHBondContact CB-O 3.18Å; W279-F313 HydrophobicContact CE3-CB 4.27Å; W279-F313 AromaticContact CE3-CD1 3.46Å; W279-F313 HydrophobicContact CE3-CD1 3.46Å; W279-F313 VanDerWaalsContact CE3-CD1 3.46Å; W279-F313 HydrophobicContact CE3-CE1 4.15Å; W279-F313 HydrophobicContact CE3-CG 4.17Å; W279-F313 AromaticContact CZ3-CD1 3.46Å; W279-F313 HydrophobicContact CZ3-CD1 3.46Å; W279-F313 VanDerWaalsContact CZ3-CD1 3.46Å; W279-F313 AromaticContact CZ3-CE1 3.68Å; W279-F313 HydrophobicContact CZ3-CE1 3.68Å; H282-F313 AromaticContact CD2-CD2 3.34Å; H282-F313 WeakPolarHBondContact CD2-CD2 3.41Å; H282-F313 AromaticContact CD2-CE2 3.36Å; H282-F313 WeakPolarHBondContact CD2-CE2 3.36Å; H282-F313 AromaticContact CD2-CG 3.88Å; H282-F313 AromaticContact CD2-CZ 3.91Å; H282-F313 AromaticContact NE2-CD2 3.88Å; H282-F313 AromaticContact NE2-CE2 3.41Å; H282-F313 WeakPolarHBondContact NE2-CE2 3.34Å; H282-F313 AromaticContact NE2-CZ 3.92Å; A283-F313 HydrophobicContact CB-CB 4.25Å; L309-F313 HydrophobicContact CB-CD2 4.44Å; L309-F313 HydrophobicContact CB-CE2 3.86Å; L309-F313 HydrophobicContact CB-CZ 4.27Å; L309-F313 WeakPolarHBondContact O-CD2 3.32Å; L309-F313 VanDerWaalsContact O-CG 3.3Å; L309-F313 WeakPolarHBondContact O-CG 3.44Å; L309-F313 PolarHBondContact O-N 2.83Å; A310-F313 PolarHBondContact O-N 3.39Å; F313-G315 VanDerWaalsContact C-N 3.32Å; F313-G315 PolarHBondContact O-N 3.23Å; F313-I316 PolarHBondContact O-N 3.06Å; F313-G317 PolarHBondContact O-N 3.24Å
314	A	98	Very high	97.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.4	-49.1	173.1	0	0	0	0	0	110.3	V240 H243 A283 A310 S311 I316 G317 F318	V240-A314 HydrophobicContact CG1-CB 3.91Å; H243-A314 HydrophobicContact CB-CB 4.04Å; A283-A314 HydrophobicContact CB-CB 4.12Å; A310-A314 WeakPolarHBondContact O-CB 3.41Å; A310-A314 PolarHBondContact O-N 3.17Å; S311-A314 PolarHBondContact O-N 3.19Å; A314-I316 VanDerWaalsContact C-N 3.32Å; A314-I316 PolarHBondContact O-N 3.37Å; A314-G317 CarbonylContact O-C 3.56Å; A314-G317 WeakPolarHBondContact O-CA 3.46Å; A314-G317 PolarHBondContact O-N 3.25Å; A314-F318 WeakPolarHBondContact O-CD1 3.26Å; A314-F318 PolarHBondContact O-N 3.07Å
315	G	97.4	Very high	97.5	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-51.8	-44.4	176.4	0	0	0	0	0	114.1	T191 S311 V312 F313 F318 G319	T191-G315 VanDerWaalsContact OG1-CA 3.25Å; T191-G315 WeakPolarHBondContact OG1-CA 3.33Å; T191-G315 PolarHBondContact OG1-O 3.07Å; S311-G315 PolarHBondContact O-N 3.15Å; V312-G315 PolarHBondContact O-N 2.64Å; F313-G315 VanDerWaalsContact C-N 3.32Å; F313-G315 PolarHBondContact O-N 3.23Å; G315-F318 VanDerWaalsContact CA-CE1 3.49Å; G315-G319 WeakPolarHBondContact O-CA 3.34Å; G315-G319 PolarHBondContact O-N 2.92Å
316	I	97.2	Very high	97.5	Very high	14 Å²	14	6.2 Å²	6.2	7%	0.072	3%	0.033	C	C	.	.	H	α-helix	trans	-65.6	-44.5	175.9	-67.7	171.7	0	0	0	110.3	M46 T191 W279 V312 F313 A314 N320	M46-I316 HydrophobicContact CE-CB 4.45Å; M46-I316 HydrophobicContact CE-CG2 3.21Å; M46-I316 WeakPolarHBondContact CE-O 3.19Å; T191-I316 HydrophobicContact CG2-CG1 4.24Å; T191-I316 PolarHBondContact OG1-N 2.78Å; W279-I316 HydrophobicContact CD2-CB 4.48Å; W279-I316 HydrophobicContact CD2-CG2 3.98Å; W279-I316 HydrophobicContact CG-CB 4.3Å; W279-I316 HydrophobicContact CG-CG2 3.81Å; V312-I316 HydrophobicContact CG1-CD1 3.97Å; V312-I316 VanDerWaalsContact O-CG1 3.28Å; V312-I316 WeakPolarHBondContact O-CG1 3.46Å; V312-I316 PolarHBondContact O-N 3.43Å; F313-I316 PolarHBondContact O-N 3.06Å; A314-I316 VanDerWaalsContact C-N 3.32Å; A314-I316 PolarHBondContact O-N 3.37Å; I316-N320 PolarHBondContact O-ND2 3.31Å
317	G	97.2	Very high	97.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-66.1	-67.5	178	0	0	0	0	0	113.2	S276 F313 A314 G319 N320 A321	S276-G317 WeakPolarHBondContact CB-O 3.34Å; S276-G317 PolarHBondContact OG-O 2.93Å; F313-G317 PolarHBondContact O-N 3.24Å; A314-G317 CarbonylContact O-C 3.56Å; A314-G317 WeakPolarHBondContact O-CA 3.46Å; A314-G317 PolarHBondContact O-N 3.25Å; G317-G319 VanDerWaalsContact C-N 3.25Å; G317-G319 PolarHBondContact O-N 2.86Å; G317-N320 PolarHBondContact O-N 3.24Å; G317-N320 VanDerWaalsContact O-N 3.13Å; G317-A321 PolarHBondContact O-N 2.96Å
318	F	97.1	Very high	97.3	Very high	7 Å²	7	5 Å²	5	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-65.6	-28.1	-177.7	97.8	-97.4	0	0	0	112.3	T187 T192 H243 Y269 A314 G315 N320 G322 V323	T187-F318 WeakPolarHBondContact O-CE1 3.08Å; T187-F318 WeakPolarHBondContact O-CZ 3.49Å; T192-F318 HydrophobicContact CG2-CE1 4Å; T192-F318 HydrophobicContact CG2-CE2 4.35Å; T192-F318 HydrophobicContact CG2-CZ 3.73Å; H243-F318 HydrophobicContact CB-CB 4.18Å; H243-F318 HydrophobicContact CB-CD1 3.74Å; H243-F318 HydrophobicContact CB-CE1 4.38Å; H243-F318 HydrophobicContact CB-CG 4.07Å; H243-F318 AromaticContact CD2-CD1 3.48Å; H243-F318 VanDerWaalsContact CD2-CD1 3.48Å; H243-F318 WeakPolarHBondContact CD2-CD1 3.44Å; H243-F318 AromaticContact CD2-CD2 3.57Å; H243-F318 AromaticContact CD2-CE1 3.56Å; H243-F318 AromaticContact CD2-CE2 3.62Å; H243-F318 AromaticContact CD2-CG 3.52Å; H243-F318 AromaticContact CD2-CZ 3.64Å; H243-F318 AromaticContact CE1-CE1 3.63Å; H243-F318 AromaticContact CE1-CZ 3.69Å; H243-F318 AromaticContact CG-CD1 3.5Å; H243-F318 VanDerWaalsContact CG-CD1 3.5Å; H243-F318 AromaticContact CG-CE1 3.69Å; H243-F318 AromaticContact CG-CG 3.91Å; H243-F318 AromaticContact ND1-CD1 3.96Å; H243-F318 AromaticContact ND1-CE1 3.7Å; H243-F318 AromaticContact NE2-CD1 3.95Å; H243-F318 AromaticContact NE2-CD2 3.94Å; H243-F318 AromaticContact NE2-CE1 3.51Å; H243-F318 AromaticContact NE2-CE2 3.45Å; H243-F318 WeakPolarHBondContact NE2-CE2 3.42Å; H243-F318 AromaticContact NE2-CZ 3.25Å; H243-F318 VanDerWaalsContact NE2-CZ 3.25Å; H243-F318 WeakPolarHBondContact NE2-CZ 3.26Å; Y269-F318 HydrophobicContact CE1-CD2 4.3Å; Y269-F318 HydrophobicContact CE1-CE2 4.45Å; Y269-F318 WeakPolarHBondContact CE1-O 3.43Å; Y269-F318 VanDerWaalsContact OH-CE2 3.29Å; Y269-F318 WeakPolarHBondContact OH-CE2 3.48Å; A314-F318 WeakPolarHBondContact O-CD1 3.26Å; A314-F318 PolarHBondContact O-N 3.07Å; G315-F318 VanDerWaalsContact CA-CE1 3.49Å; F318-N320 PolarHBondContact O-N 3.25Å; F318-G322 WeakPolarHBondContact O-CA 3.36Å; F318-G322 PolarHBondContact O-N 2.85Å; F318-V323 HydrophobicContact CB-CG1 4.19Å; F318-V323 HydrophobicContact CD2-CG1 3.96Å; F318-V323 HydrophobicContact CG-CG1 4.33Å
319	G	95	Very high	97.3	Very high	1 Å²	1	5 Å²	5	1%	0.01	3%	0.025	C	C	.	.	H	α-helix	trans	-59.1	-16.1	175.1	0	0	0	0	0	114.2	G315 G317	G315-G319 WeakPolarHBondContact O-CA 3.34Å; G315-G319 PolarHBondContact O-N 2.92Å; G317-G319 VanDerWaalsContact C-N 3.25Å; G317-G319 PolarHBondContact O-N 2.86Å
320	N	95.4	Very high	97.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-120.9	-38	179.5	-66.6	-81	0	0	0	113.1	E45 M46 A47 A268 Q270 I316 G317 F318	E45-N320 PolarHBondContact O-OD1 3.05Å; M46-N320 HydrophobicContact CE-CB 4.38Å; M46-N320 VanDerWaalsContact CE-ND2 3.31Å; M46-N320 WeakPolarHBondContact CE-ND2 3.48Å; M46-N320 HydrophobicContact SD-CB 3.56Å; M46-N320 VanDerWaalsContact SD-CB 3.56Å; M46-N320 PolarHBondContact SD-ND2 2.88Å; A47-N320 PolarHBondContact N-OD1 3.26Å; A47-N320 PolarHBondContact O-ND2 3.04Å; A47-N320 PolarHBondContact O-OD1 3.12Å; A268-N320 WeakPolarHBondContact O-CA 3.48Å; Q270-N320 WeakPolarHBondContact CB-O 3.37Å; Q270-N320 PolarHBondContact N-O 3.03Å; Q270-N320 PolarHBondContact NE2-O 3.1Å; I316-N320 PolarHBondContact O-ND2 3.31Å; G317-N320 PolarHBondContact O-N 3.24Å; G317-N320 VanDerWaalsContact O-N 3.13Å; F318-N320 PolarHBondContact O-N 3.25Å
321	A	97	Very high	97	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-78.1	-39.5	174.3	0	0	0	0	0	112.8	Q270 G271 G317	Q270-A321 PolarHBondContact N-O 3.23Å; G271-A321 CarbonylContact C-O 3.56Å; G271-A321 VanDerWaalsContact CA-O 3.29Å; G271-A321 WeakPolarHBondContact CA-O 3Å; G271-A321 PolarHBondContact N-O 3.4Å; G271-A321 VanDerWaalsContact O-CA 3.24Å; G271-A321 WeakPolarHBondContact O-CA 3.29Å; G271-A321 WeakPolarHBondContact O-CB 3.48Å; G317-A321 PolarHBondContact O-N 2.96Å
322	G	95.9	Very high	96.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.			trans	93.6	-172.4	-172.5	0	0	0	0	0	113.8	S247 Y269 F318	S247-G322 WeakPolarHBondContact CA-O 3.47Å; S247-G322 VanDerWaalsContact CB-O 3.28Å; S247-G322 WeakPolarHBondContact CB-O 3.27Å; Y269-G322 VanDerWaalsContact CD2-CA 3.45Å; F318-G322 WeakPolarHBondContact O-CA 3.36Å; F318-G322 PolarHBondContact O-N 2.85Å
323	V	97.4	Very high	96.7	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.006	2%	0.016	C	C	.	.			trans	-133.2	169.1	177.9	-69.6	0	0	0	0	108.6	E246 Y269 F318 H327 V440	E246-V323 HydrophobicContact CB-CB 4.12Å; E246-V323 HydrophobicContact CB-CG1 4.21Å; Y269-V323 HydrophobicContact CE2-CG2 4.1Å; F318-V323 HydrophobicContact CB-CG1 4.19Å; F318-V323 HydrophobicContact CD2-CG1 3.96Å; F318-V323 HydrophobicContact CG-CG1 4.33Å; V323-H327 HydrophobicContact CB-CB 4.03Å; V323-H327 HydrophobicContact CG2-CB 3.56Å; V323-V440 HydrophobicContact CG2-CB 4.25Å; V323-V440 HydrophobicContact CG2-CG1 3.69Å
324	H	97.6	Very high	96.4	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.			trans	-130.3	-127.7	-173.4	58.8	52.8	0	0	0	114.2	E246 T249 C326 H327 G328 F366 V440 L443	E246-H324 VanDerWaalsContact CG-CE1 3.42Å; E246-H324 WeakPolarHBondContact CG-CE1 3.46Å; E246-H324 PolarHBondContact O-CD2 3.15Å; E246-H324 VanDerWaalsContact OE1-CA 3.25Å; E246-H324 WeakPolarHBondContact OE1-CA 3.39Å; E246-H324 IonicContact OE1-CE1 3.96Å; E246-H324 PolarHBondContact OE1-CE1 2.72Å; E246-H324 IonicContact OE1-CG 3.83Å; E246-H324 VanDerWaalsContact OE1-CG 3.32Å; E246-H324 PolarHBondContact OE1-N 3.24Å; E246-H324 IonicContact OE1-ND1 2.67Å; E246-H324 PolarHBondContact OE1-ND1 3.35Å; T249-H324 PolarHBondContact OG1-NE2 3.32Å; H324-C326 PolarHBondContact O-N 2.61Å; H324-H327 PolarHBondContact O-N 3.39Å; H324-G328 PolarHBondContact O-N 2.9Å; H324-F366 AromaticContact CE1-CE1 3.92Å; H324-V440 WeakPolarHBondContact CA-O 3.43Å; H324-L443 HydrophobicContact CB-CB 4.45Å
325	L	98.3	Very high	95.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-64.1	-34.5	-168.5	-64.1	178.5	0	0	0	114.6	E246 H327 G328 M329 V365 F368 T369 T441 L453 L456	E246-L325 PolarHBondContact OE1-N 2.87Å; E246-L325 VanDerWaalsContact OE1-N 3.11Å; L325-H327 PolarHBondContact O-N 2.94Å; L325-G328 PolarHBondContact O-N 2.85Å; L325-M329 VanDerWaalsContact O-CB 3.3Å; L325-M329 WeakPolarHBondContact O-CB 3.43Å; L325-M329 WeakPolarHBondContact O-CG 3.26Å; L325-M329 PolarHBondContact O-N 3.28Å; L325-V365 HydrophobicContact CB-CG1 3.74Å; L325-V365 HydrophobicContact CB-CG2 3.95Å; L325-V365 HydrophobicContact CD1-CG1 4.43Å; L325-F368 HydrophobicContact CD1-CD1 3.93Å; L325-F368 HydrophobicContact CD1-CE1 3.9Å; L325-T369 HydrophobicContact CD1-CG2 4.24Å; L325-T441 HydrophobicContact CD2-CG2 4.26Å; L325-L453 HydrophobicContact CD2-CD2 4.4Å; L325-L456 HydrophobicContact CD1-CD1 4.22Å
326	C	98.3	Very high	95.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.2	-49.8	179.1	-50	0	0	0	0	109.1	E246 H324 M329 S330 V358 V365	E246-C326 VanDerWaalsContact CD-CB 3.43Å; E246-C326 HydrophobicContact CG-CB 4.32Å; E246-C326 WeakPolarHBondContact OE1-CB 3.34Å; E246-C326 PolarHBondContact OE1-N 3.1Å; E246-C326 WeakPolarHBondContact OE2-CB 3.48Å; H324-C326 PolarHBondContact O-N 2.61Å; C326-M329 PolarHBondContact O-N 3.21Å; C326-S330 VanDerWaalsContact O-CB 3.3Å; C326-S330 WeakPolarHBondContact O-CB 3.25Å; C326-S330 PolarHBondContact O-N 2.9Å; C326-V358 HydrophobicContact CB-CG1 3.8Å; C326-V365 VanDerWaalsContact SG-CG1 3.53Å
327	H	97.4	Very high	95.3	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.019	4%	0.038	C	C	.	.	H	α-helix	trans	-63.7	-42.5	174	-82	74.7	0	0	0	112.9	D239 H243 E246 V323 H324 L325 M329 S330 Y331 H354	D239-H327 IonicContact OD1-CE1 3.21Å; D239-H327 IonicContact OD1-NE2 2.61Å; H243-H327 AromaticContact CD2-CE1 3.45Å; H243-H327 PolarHBondContact CD2-CE1 2.86Å; H243-H327 VanDerWaalsContact CD2-CE1 3.45Å; H243-H327 AromaticContact CD2-NE2 3.38Å; H243-H327 PolarHBondContact CD2-NE2 2.88Å; H243-H327 AromaticContact NE2-CE1 3.73Å; H243-H327 AromaticContact NE2-NE2 3.16Å; H243-H327 PolarHBondContact NE2-NE2 3.16Å; H243-H327 VanDerWaalsContact NE2-NE2 3.16Å; E246-H327 IonicContact OE2-CE1 3.23Å; E246-H327 IonicContact OE2-CG 2.7Å; E246-H327 PolarHBondContact OE2-N 3.1Å; E246-H327 IonicContact OE2-ND1 3.17Å; E246-H327 PolarHBondContact OE2-ND1 3.42Å; V323-H327 HydrophobicContact CB-CB 4.03Å; V323-H327 HydrophobicContact CG2-CB 3.56Å; H324-H327 PolarHBondContact O-N 3.39Å; L325-H327 PolarHBondContact O-N 2.94Å; H327-M329 PolarHBondContact O-N 2.91Å; H327-S330 WeakPolarHBondContact O-CB 3.47Å; H327-S330 PolarHBondContact O-N 2.82Å; H327-S330 PolarHBondContact O-OG 3.2Å; H327-Y331 WeakPolarHBondContact O-CD1 3.38Å; H327-H354 AromaticContact CD2-CE1 3.84Å; H327-H354 AromaticContact CD2-NE2 3.53Å; H327-H354 AromaticContact NE2-NE2 3.75Å
328	G	95.9	Very high	95	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.4	-43.6	178.5	0	0	0	0	0	113.2	H324 L325 P332 V440	H324-G328 PolarHBondContact O-N 2.9Å; L325-G328 PolarHBondContact O-N 2.85Å; G328-P332 WeakPolarHBondContact O-CD 3.46Å; G328-V440 VanDerWaalsContact CA-CG2 3.45Å
329	M	97.8	Very high	94.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74.9	-26.7	177.8	-66.7	174.5	74.8	0	0	112.5	L325 C326 H327 Y331 P332 I333 T361 V365 T434 L453 L456 F457	L325-M329 VanDerWaalsContact O-CB 3.3Å; L325-M329 WeakPolarHBondContact O-CB 3.43Å; L325-M329 WeakPolarHBondContact O-CG 3.26Å; L325-M329 PolarHBondContact O-N 3.28Å; C326-M329 PolarHBondContact O-N 3.21Å; H327-M329 PolarHBondContact O-N 2.91Å; M329-Y331 PolarHBondContact O-N 3.06Å; M329-P332 VanDerWaalsContact O-CD 3.26Å; M329-P332 WeakPolarHBondContact O-CD 3.27Å; M329-P332 WeakPolarHBondContact O-CG 3.46Å; M329-I333 WeakPolarHBondContact O-CD1 3.27Å; M329-I333 VanDerWaalsContact O-CG1 3.32Å; M329-I333 WeakPolarHBondContact O-CG1 3.41Å; M329-T361 HydrophobicContact CB-CG2 4.24Å; M329-T361 HydrophobicContact CE-CG2 3.87Å; M329-T361 HydrophobicContact SD-CG2 4.42Å; M329-V365 HydrophobicContact SD-CG2 3.84Å; M329-T434 HydrophobicContact CG-CG2 3.94Å; M329-L453 HydrophobicContact CG-CD2 4.38Å; M329-L453 HydrophobicContact SD-CD2 4.43Å; M329-L456 HydrophobicContact CE-CB 3.56Å; M329-L456 HydrophobicContact SD-CB 4.06Å; M329-L456 HydrophobicContact SD-CD1 4.02Å; M329-F457 HydrophobicContact CB-CE1 4.04Å; M329-F457 HydrophobicContact CB-CZ 3.78Å; M329-F457 HydrophobicContact CE-CB 4.49Å; M329-F457 HydrophobicContact CE-CD1 3.57Å; M329-F457 HydrophobicContact CE-CD2 3.71Å; M329-F457 HydrophobicContact CE-CE1 3.53Å; M329-F457 HydrophobicContact CE-CE2 3.66Å; M329-F457 HydrophobicContact CE-CG 3.65Å; M329-F457 HydrophobicContact CE-CZ 3.56Å; M329-F457 HydrophobicContact CG-CE1 4.46Å; M329-F457 HydrophobicContact CG-CE2 4.34Å; M329-F457 HydrophobicContact CG-CZ 3.91Å
330	S	96.4	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.2	-26.2	178.9	80.2	0	0	0	0	113.9	C326 H327 I333 A334 H354 S357 V358	C326-S330 VanDerWaalsContact O-CB 3.3Å; C326-S330 WeakPolarHBondContact O-CB 3.25Å; C326-S330 PolarHBondContact O-N 2.9Å; H327-S330 WeakPolarHBondContact O-CB 3.47Å; H327-S330 PolarHBondContact O-N 2.82Å; H327-S330 PolarHBondContact O-OG 3.2Å; S330-I333 PolarHBondContact O-N 2.71Å; S330-A334 WeakPolarHBondContact O-CB 3.24Å; S330-A334 PolarHBondContact O-N 3.41Å; S330-H354 PolarHBondContact OG-CE1 2.63Å; S330-S357 VanDerWaalsContact CB-C 3.47Å; S330-S357 WeakPolarHBondContact CB-O 3.45Å; S330-S357 WeakPolarHBondContact CB-OG 3.15Å; S330-S357 PolarHBondContact O-OG 3.31Å; S330-V358 VanDerWaalsContact CB-CG2 3.46Å; S330-V358 WeakPolarHBondContact OG-CG2 3.25Å
331	Y	93.2	Very high	94.8	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-67.8	-50.2	-174.5	-76.9	17.5	0	0	0	112.3	K205 H327 M329 I333 A334 G335 H354 Q437 R439	K205-Y331 HydrophobicContact CB-CD1 4.19Å; K205-Y331 HydrophobicContact CB-CD2 3.69Å; K205-Y331 HydrophobicContact CB-CE2 4.28Å; K205-Y331 HydrophobicContact CB-CG 3.67Å; K205-Y331 HydrophobicContact CD-CD1 3.85Å; K205-Y331 HydrophobicContact CD-CE1 3.91Å; K205-Y331 HydrophobicContact CD-CG 4.22Å; K205-Y331 HydrophobicContact CG-CD1 4.25Å; K205-Y331 HydrophobicContact CG-CD2 4.06Å; K205-Y331 HydrophobicContact CG-CE1 4.34Å; K205-Y331 HydrophobicContact CG-CE2 4.16Å; K205-Y331 HydrophobicContact CG-CG 4.14Å; K205-Y331 VanDerWaalsContact O-CD2 3.29Å; K205-Y331 WeakPolarHBondContact O-CD2 3.38Å; H327-Y331 WeakPolarHBondContact O-CD1 3.38Å; M329-Y331 PolarHBondContact O-N 3.06Å; Y331-I333 VanDerWaalsContact C-N 3.32Å; Y331-A334 PolarHBondContact O-N 3.08Å; Y331-G335 PolarHBondContact O-N 2.93Å; Y331-H354 AromaticContact CE1-CE1 3.85Å; Y331-Q437 VanDerWaalsContact CD2-CD 3.49Å; Y331-Q437 HydrophobicContact CD2-CG 4.02Å; Y331-Q437 VanDerWaalsContact CD2-OE1 3.22Å; Y331-Q437 HydrophobicContact CG-CG 4.49Å; Y331-R439 PolarHBondContact OH-NH2 3.43Å
332	P	93.8	Very high	94.5	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-68.1	-29	171.2	24.1	-33	0	0	0	113.4	G328 M329 A334 N336 L430 T434 F457	G328-P332 WeakPolarHBondContact O-CD 3.46Å; M329-P332 VanDerWaalsContact O-CD 3.26Å; M329-P332 WeakPolarHBondContact O-CD 3.27Å; M329-P332 WeakPolarHBondContact O-CG 3.46Å; P332-A334 VanDerWaalsContact C-N 3.33Å; P332-N336 WeakPolarHBondContact O-CB 3.32Å; P332-N336 PolarHBondContact O-N 3.01Å; P332-L430 HydrophobicContact CB-CD2 3.98Å; P332-L430 VanDerWaalsContact CG-O 3.26Å; P332-L430 WeakPolarHBondContact CG-O 3.49Å; P332-T434 WeakPolarHBondContact CG-OG1 3.31Å; P332-F457 HydrophobicContact CG-CZ 4.44Å
333	I	95.4	Very high	94.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-39.4	172.8	-64.4	164.1	0	0	0	110.6	M329 S330 Y331 V352 S357 T361 L417 Y422 L430 F457	M329-I333 WeakPolarHBondContact O-CD1 3.27Å; M329-I333 VanDerWaalsContact O-CG1 3.32Å; M329-I333 WeakPolarHBondContact O-CG1 3.41Å; S330-I333 PolarHBondContact O-N 2.71Å; Y331-I333 VanDerWaalsContact C-N 3.32Å; I333-V352 HydrophobicContact CG2-CG1 4.14Å; I333-S357 WeakPolarHBondContact CD1-O 3.41Å; I333-T361 HydrophobicContact CD1-CG2 3.74Å; I333-L417 HydrophobicContact CD1-CD2 3.61Å; I333-L417 HydrophobicContact CG1-CD2 3.89Å; I333-L417 HydrophobicContact CG2-CD2 4.06Å; I333-Y422 HydrophobicContact CG2-CE2 3.91Å; I333-Y422 PolarHBondContact O-OH 3.36Å; I333-L430 HydrophobicContact CG1-CD2 4.22Å; I333-F457 HydrophobicContact CD1-CE1 3.94Å; I333-F457 HydrophobicContact CG1-CE1 4.02Å
334	A	92.3	Very high	93.6	Very high	10 Å²	10	32 Å²	32	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-75.7	-46.8	175.3	0	0	0	0	0	111.6	S330 Y331 P332 N336 V337	S330-A334 WeakPolarHBondContact O-CB 3.24Å; S330-A334 PolarHBondContact O-N 3.41Å; Y331-A334 PolarHBondContact O-N 3.08Å; P332-A334 VanDerWaalsContact C-N 3.33Å; A334-N336 PolarHBondContact O-N 3.15Å; A334-V337 VanDerWaalsContact O-CG1 3.25Å; A334-V337 WeakPolarHBondContact O-CG1 3.37Å; A334-V337 PolarHBondContact O-N 3.36Å
335	G	88.4	Confident	93.2	Very high	22 Å²	22	34.2 Å²	34.2	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-25.3	-172.9	0	0	0	0	0	115.3	Y331	Y331-G335 PolarHBondContact O-N 2.93Å
336	N	90.6	Very high	92.7	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.193	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.5	177.9	-63.9	-20.1	0	0	0	112.8	K203 P332 A334 K338 Y422	K203-N336 PolarHBondContact O-OD1 2.99Å; P332-N336 WeakPolarHBondContact O-CB 3.32Å; P332-N336 PolarHBondContact O-N 3.01Å; A334-N336 PolarHBondContact O-N 3.15Å; N336-K338 PolarHBondContact O-N 3.47Å; N336-Y422 HydrophobicContact CB-CE1 4.46Å; N336-Y422 PolarHBondContact O-OH 3.24Å
337	V	91.8	Very high	92.2	Very high	33 Å²	33	41.5 Å²	41.5	20%	0.2	23%	0.227	C	C	.	.			trans	-58.5	134.3	176.1	64.6	0	0	0	0	110.2	A334 P350 V352 Y422	A334-V337 VanDerWaalsContact O-CG1 3.25Å; A334-V337 WeakPolarHBondContact O-CG1 3.37Å; A334-V337 PolarHBondContact O-N 3.36Å; V337-P350 HydrophobicContact CG1-CB 4.24Å; V337-P350 WeakPolarHBondContact CG1-O 3.49Å; V337-P350 HydrophobicContact CG2-CB 3.96Å; V337-V352 HydrophobicContact CB-CG2 4.08Å; V337-V352 HydrophobicContact CG2-CG2 3.73Å; V337-Y422 VanDerWaalsContact CA-OH 3.28Å; V337-Y422 WeakPolarHBondContact CA-OH 3.47Å; V337-Y422 PolarHBondContact N-OH 3.17Å; V337-Y422 VanDerWaalsContact N-OH 3.14Å
338	K	90.5	Very high	91.8	Very high	119 Å²	119	48.5 Å²	48.5	52%	0.517	27%	0.265	S	S	.	.			trans	-105.5	-50.8	-177.1	-59.3	176.7	-173.4	168.4	0	112.2	N336 P350 D426	N336-K338 PolarHBondContact O-N 3.47Å; K338-P350 WeakPolarHBondContact O-CG 3.42Å; K338-D426 IonicContact NZ-OD1 3.32Å; K338-D426 PolarHBondContact NZ-OD1 3.17Å; K338-D426 IonicContact NZ-OD2 3.44Å; K338-D426 PolarHBondContact NZ-OD2 3.14Å; K338-D426 VanDerWaalsContact NZ-OD2 3.13Å
339	T	92.5	Very high	91.5	Very high	107 Å²	107	50.2 Å²	50.2	66%	0.656	27%	0.272	S	S	*	.	S	Bend	trans	-139.9	-12.4	-165.9	54.4	0	0	0	0	114.1	M341	T339-M341 PolarHBondContact O-N 3.3Å
340	Y	95.5	Very high	91.2	Very high	31 Å²	31	52.7 Å²	52.7	12%	0.122	29%	0.289	C	S	.	.			trans	-70.7	129.2	-174.6	-173.7	-107	0	0	0	111.1	A342 P350 V351 V352 L356 E414 V420	Y340-A342 HydrophobicContact CE1-CB 3.89Å; Y340-P350 CarbonylContact O-C 3.59Å; Y340-P350 VanDerWaalsContact O-CA 3.27Å; Y340-P350 WeakPolarHBondContact O-CA 3.5Å; Y340-V351 VanDerWaalsContact CD1-O 3.23Å; Y340-V351 WeakPolarHBondContact CD1-O 3.28Å; Y340-V351 PolarHBondContact O-N 2.97Å; Y340-V352 HydrophobicContact CD1-CB 4.46Å; Y340-V352 HydrophobicContact CD1-CG2 3.84Å; Y340-V352 HydrophobicContact CG-CG2 4.38Å; Y340-L356 HydrophobicContact CE1-CD2 3.9Å; Y340-E414 HydrophobicContact CE2-CG 4.32Å; Y340-E414 PolarHBondContact OH-OE1 3.23Å; Y340-V420 WeakPolarHBondContact CB-O 3.43Å; Y340-V420 HydrophobicContact CD1-CB 4.3Å; Y340-V420 HydrophobicContact CD1-CG1 4.3Å; Y340-V420 HydrophobicContact CD2-CB 4.07Å; Y340-V420 HydrophobicContact CD2-CG1 4.17Å; Y340-V420 HydrophobicContact CE1-CG1 4.09Å; Y340-V420 HydrophobicContact CE2-CB 4.4Å; Y340-V420 HydrophobicContact CE2-CG1 3.99Å; Y340-V420 HydrophobicContact CG-CB 4.04Å; Y340-V420 HydrophobicContact CG-CG1 4.34Å
341	M	93.9	Very high	91.1	Very high	90 Å²	90	53.1 Å²	53.1	44%	0.443	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-117.4	106.6	175	-66.4	-66.7	-66.2	0	0	107.7	T339 K343 V347 P350	T339-M341 PolarHBondContact O-N 3.3Å; M341-K343 PolarHBondContact O-N 2.69Å; M341-V347 HydrophobicContact CE-CG2 4.45Å; M341-V347 WeakPolarHBondContact CE-O 3.5Å; M341-P350 VanDerWaalsContact SD-CA 3.55Å
342	A	91.9	Very high	91.2	Very high	9 Å²	9	53 Å²	53	7%	0.074	29%	0.291	C	S	.	.			trans	-65.3	128.9	179.8	0	0	0	0	0	111.9	Y340 G344 Y345 V351 P353	Y340-A342 HydrophobicContact CE1-CB 3.89Å; A342-G344 PolarHBondContact O-N 2.88Å; A342-Y345 HydrophobicContact CB-CD2 3.6Å; A342-Y345 HydrophobicContact CB-CE2 4.13Å; A342-Y345 HydrophobicContact CB-CG 4.17Å; A342-Y345 PolarHBondContact O-N 3.45Å; A342-V351 HydrophobicContact CB-CG1 4.28Å; A342-P353 VanDerWaalsContact CB-CD 3.44Å; A342-P353 HydrophobicContact CB-CG 3.37Å
343	K	89.2	Confident	91.2	Very high	156 Å²	156	53 Å²	53	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	138.2	176.5	-65.8	176.6	-177.9	173.4	0	110.3	R231 M341 Y345	R231-K343 WeakPolarHBondContact CB-O 3.31Å; R231-K343 HydrophobicContact CG-CB 4.38Å; R231-K343 WeakPolarHBondContact CG-O 3.36Å; M341-K343 PolarHBondContact O-N 2.69Å; K343-Y345 VanDerWaalsContact C-N 3.29Å; K343-Y345 PolarHBondContact O-N 3.4Å
344	G	85.1	Confident	91.1	Very high	49 Å²	49	54.1 Å²	54.1	51%	0.505	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	3.3	178.1	0	0	0	0	0	115	A342	A342-G344 PolarHBondContact O-N 2.88Å
345	Y	88.9	Confident	91.3	Very high	47 Å²	47	53.9 Å²	53.9	18%	0.184	29%	0.294	C	S	.	.			trans	-98.8	124.9	170	-73.7	-104.5	0	0	0	109.3	V232 N235 A342 K343 V347 P353	V232-Y345 HydrophobicContact CG2-CD2 4.33Å; V232-Y345 HydrophobicContact CG2-CE1 4.22Å; V232-Y345 HydrophobicContact CG2-CE2 3.94Å; N235-Y345 WeakPolarHBondContact CB-OH 3.07Å; N235-Y345 VanDerWaalsContact ND2-CE2 3.35Å; N235-Y345 WeakPolarHBondContact ND2-CE2 3.36Å; N235-Y345 PolarHBondContact ND2-OH 2.84Å; A342-Y345 HydrophobicContact CB-CD2 3.6Å; A342-Y345 HydrophobicContact CB-CE2 4.13Å; A342-Y345 HydrophobicContact CB-CG 4.17Å; A342-Y345 PolarHBondContact O-N 3.45Å; K343-Y345 VanDerWaalsContact C-N 3.29Å; K343-Y345 PolarHBondContact O-N 3.4Å; Y345-V347 PolarHBondContact O-N 3.46Å; Y345-P353 HydrophobicContact CD1-CG 4.18Å; Y345-P353 HydrophobicContact CD2-CG 3.89Å; Y345-P353 HydrophobicContact CE1-CB 3.83Å; Y345-P353 HydrophobicContact CE1-CG 3.77Å; Y345-P353 HydrophobicContact CE2-CB 4.06Å; Y345-P353 HydrophobicContact CE2-CG 3.46Å; Y345-P353 VanDerWaalsContact CE2-CG 3.46Å; Y345-P353 HydrophobicContact CG-CG 4.24Å; Y345-P353 VanDerWaalsContact CZ-CB 3.48Å; Y345-P353 WeakPolarHBondContact OH-CB 3.28Å
346	N	88.2	Confident	91.8	Very high	127 Å²	127	52.9 Å²	52.9	68%	0.679	28%	0.284	S	S	*	.			trans	-89.8	80.3	176.1	-171.4	39.6	0	0	0	109.9	N80	N80-N346 PolarHBondContact OD1-ND2 3.29Å
347	V	87.7	Confident	92.1	Very high	26 Å²	26	51.2 Å²	51.2	16%	0.158	28%	0.275	C	S	.	.			trans	-135.7	154.5	178.1	-62.1	0	0	0	0	110.8	V109 M341 Y345 H349 V351	V109-V347 HydrophobicContact CB-CG1 4.16Å; V109-V347 HydrophobicContact CG1-CG1 4.29Å; V109-V347 HydrophobicContact CG2-CG1 4.48Å; M341-V347 HydrophobicContact CE-CG2 4.45Å; M341-V347 WeakPolarHBondContact CE-O 3.5Å; Y345-V347 PolarHBondContact O-N 3.46Å; V347-H349 WeakPolarHBondContact CG2-O 3.12Å; V347-V351 HydrophobicContact CG2-CB 4.42Å; V347-V351 HydrophobicContact CG2-CG1 3.64Å
348	D	89.1	Confident	92.4	Very high	151 Å²	151	49.6 Å²	49.6	81%	0.807	27%	0.265	S	S	*	.	S	Bend	trans	-97	9.3	-176.8	64.2	-14.9	0	0	0	114
349	H	88.7	Confident	92.7	Very high	36 Å²	36	44 Å²	44	17%	0.167	24%	0.241	C	C	.	.	S	Bend	trans	-140.3	155.7	-174	56.5	-86.4	0	0	0	112	R108 V347 V351	R108-H349 PolarHBondContact NH1-NE2 3.39Å; R108-H349 PolarHBondContact NH2-CD2 2.93Å; R108-H349 PolarHBondContact NH2-CE1 2.86Å; R108-H349 PolarHBondContact NH2-ND1 2.94Å; R108-H349 PolarHBondContact NH2-NE2 3.11Å; V347-H349 WeakPolarHBondContact CG2-O 3.12Å; H349-V351 PolarHBondContact O-N 3.4Å
350	P	92.9	Very high	93	Very high	52 Å²	52	38.9 Å²	38.9	34%	0.338	21%	0.209	S	C	.	.			trans	-55.3	133.7	173	-25.4	35	0	0	0	111.9	V337 K338 Y340 M341	V337-P350 HydrophobicContact CG1-CB 4.24Å; V337-P350 WeakPolarHBondContact CG1-O 3.49Å; V337-P350 HydrophobicContact CG2-CB 3.96Å; K338-P350 WeakPolarHBondContact O-CG 3.42Å; Y340-P350 CarbonylContact O-C 3.59Å; Y340-P350 VanDerWaalsContact O-CA 3.27Å; Y340-P350 WeakPolarHBondContact O-CA 3.5Å; M341-P350 VanDerWaalsContact SD-CA 3.55Å
351	V	92.8	Very high	93.2	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.048	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-148.4	128.4	-179.2	67.8	0	0	0	0	110.6	E110 Y340 A342 V347 H349	E110-V351 HydrophobicContact CG-CG2 4.21Å; Y340-V351 VanDerWaalsContact CD1-O 3.23Å; Y340-V351 WeakPolarHBondContact CD1-O 3.28Å; Y340-V351 PolarHBondContact O-N 2.97Å; A342-V351 HydrophobicContact CB-CG1 4.28Å; V347-V351 HydrophobicContact CG2-CB 4.42Å; V347-V351 HydrophobicContact CG2-CG1 3.64Å; H349-V351 PolarHBondContact O-N 3.4Å
352	V	95.2	Very high	93.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	18%	0.182	C	C	.	.			trans	-98.5	107.1	156.5	-175.4	0	0	0	0	106.3	I333 V337 Y340 L356 V420	I333-V352 HydrophobicContact CG2-CG1 4.14Å; V337-V352 HydrophobicContact CB-CG2 4.08Å; V337-V352 HydrophobicContact CG2-CG2 3.73Å; Y340-V352 HydrophobicContact CD1-CB 4.46Å; Y340-V352 HydrophobicContact CD1-CG2 3.84Å; Y340-V352 HydrophobicContact CG-CG2 4.38Å; V352-L356 HydrophobicContact CG1-CB 4.35Å; V352-L356 HydrophobicContact CG1-CD2 4.13Å; V352-L356 HydrophobicContact CG1-CG 4.13Å; V352-V420 HydrophobicContact CG2-CB 4.41Å
353	P	94.1	Very high	93.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.179	C	C	.	.			trans	-57.7	144.7	-177.5	-26.5	34.5	0	0	0	111.6	N235 A342 Y345 G355 L356 S357	N235-P353 HydrophobicContact CB-CB 4.41Å; A342-P353 VanDerWaalsContact CB-CD 3.44Å; A342-P353 HydrophobicContact CB-CG 3.37Å; Y345-P353 HydrophobicContact CD1-CG 4.18Å; Y345-P353 HydrophobicContact CD2-CG 3.89Å; Y345-P353 HydrophobicContact CE1-CB 3.83Å; Y345-P353 HydrophobicContact CE1-CG 3.77Å; Y345-P353 HydrophobicContact CE2-CB 4.06Å; Y345-P353 HydrophobicContact CE2-CG 3.46Å; Y345-P353 VanDerWaalsContact CE2-CG 3.46Å; Y345-P353 HydrophobicContact CG-CG 4.24Å; Y345-P353 VanDerWaalsContact CZ-CB 3.48Å; Y345-P353 WeakPolarHBondContact OH-CB 3.28Å; P353-G355 PolarHBondContact O-N 3.11Å; P353-L356 WeakPolarHBondContact O-CA 3.21Å; P353-L356 WeakPolarHBondContact O-CB 3.42Å; P353-L356 PolarHBondContact O-N 3.07Å; P353-S357 PolarHBondContact O-N 2.7Å
354	H	94.6	Very high	94.2	Very high	25 Å²	25	25.8 Å²	25.8	12%	0.116	15%	0.151	C	C	.	.	H	α-helix	trans	-51.6	-51.3	-171.3	-172.8	39	0	0	0	114.3	D239 H327 S330 Y331 L356 S357 V358	D239-H354 IonicContact OD1-CD2 3.27Å; H327-H354 AromaticContact CD2-CE1 3.84Å; H327-H354 AromaticContact CD2-NE2 3.53Å; H327-H354 AromaticContact NE2-NE2 3.75Å; S330-H354 PolarHBondContact OG-CE1 2.63Å; Y331-H354 AromaticContact CE1-CE1 3.85Å; H354-L356 PolarHBondContact O-N 2.9Å; H354-S357 PolarHBondContact O-N 2.92Å; H354-S357 PolarHBondContact O-OG 3.16Å; H354-V358 WeakPolarHBondContact CE1-CG2 3.45Å; H354-V358 VanDerWaalsContact O-CG2 3.24Å; H354-V358 WeakPolarHBondContact O-CG2 3.17Å; H354-V358 PolarHBondContact O-N 3.39Å
355	G	96.4	Very high	94.8	Very high	5 Å²	5	23.5 Å²	23.5	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-30.2	-179.3	0	0	0	0	0	114.1	N235 P353 V359	N235-G355 WeakPolarHBondContact O-CA 3.3Å; P353-G355 PolarHBondContact O-N 3.11Å; G355-V359 WeakPolarHBondContact O-CB 3.24Å; G355-V359 WeakPolarHBondContact O-CG1 3.37Å; G355-V359 PolarHBondContact O-N 2.86Å; G355-V359 VanDerWaalsContact O-N 3.16Å
356	L	97.6	Very high	95.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-69.1	-48	171.5	179	59.3	0	0	0	110.6	Y340 V352 P353 H354 V358 V359 L360 V413 E414 V420	Y340-L356 HydrophobicContact CE1-CD2 3.9Å; V352-L356 HydrophobicContact CG1-CB 4.35Å; V352-L356 HydrophobicContact CG1-CD2 4.13Å; V352-L356 HydrophobicContact CG1-CG 4.13Å; P353-L356 WeakPolarHBondContact O-CA 3.21Å; P353-L356 WeakPolarHBondContact O-CB 3.42Å; P353-L356 PolarHBondContact O-N 3.07Å; H354-L356 PolarHBondContact O-N 2.9Å; L356-V358 PolarHBondContact O-N 3.28Å; L356-V359 PolarHBondContact O-N 3.33Å; L356-L360 HydrophobicContact CD1-CD1 4.14Å; L356-L360 HydrophobicContact CD1-CD2 4.09Å; L356-L360 HydrophobicContact CD1-CG 3.94Å; L356-L360 HydrophobicContact CG-CD1 4.1Å; L356-L360 HydrophobicContact CG-CG 4.37Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.45Å; L356-L360 PolarHBondContact O-N 3.12Å; L356-V413 HydrophobicContact CD1-CG1 3.61Å; L356-E414 WeakPolarHBondContact CD1-OE2 3.33Å; L356-E414 WeakPolarHBondContact CD2-OE2 3.26Å; L356-V420 HydrophobicContact CD2-CG1 4.15Å
357	S	97	Very high	95.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-29.5	-179.9	67.1	0	0	0	0	113.3	S330 I333 P353 H354	S330-S357 VanDerWaalsContact CB-C 3.47Å; S330-S357 WeakPolarHBondContact CB-O 3.45Å; S330-S357 WeakPolarHBondContact CB-OG 3.15Å; S330-S357 PolarHBondContact O-OG 3.31Å; I333-S357 WeakPolarHBondContact CD1-O 3.41Å; P353-S357 PolarHBondContact O-N 2.7Å; H354-S357 PolarHBondContact O-N 2.92Å; H354-S357 PolarHBondContact O-OG 3.16Å
358	V	97.8	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.6	-46.7	174.7	177.2	0	0	0	0	111.4	C242 C326 S330 H354 L356 T361	C242-V358 HydrophobicContact CB-CG1 3.39Å; C326-V358 HydrophobicContact CB-CG1 3.8Å; S330-V358 VanDerWaalsContact CB-CG2 3.46Å; S330-V358 WeakPolarHBondContact OG-CG2 3.25Å; H354-V358 WeakPolarHBondContact CE1-CG2 3.45Å; H354-V358 VanDerWaalsContact O-CG2 3.24Å; H354-V358 WeakPolarHBondContact O-CG2 3.17Å; H354-V358 PolarHBondContact O-N 3.39Å; L356-V358 PolarHBondContact O-N 3.28Å; V358-T361 PolarHBondContact O-OG1 2.93Å
359	V	98.5	Very high	96.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-80.6	-23.4	-168.9	82.5	0	0	0	0	113.9	F238 G355 L356 T361 S362 L408	F238-V359 HydrophobicContact CB-CB 3.93Å; F238-V359 HydrophobicContact CB-CG1 4.02Å; F238-V359 HydrophobicContact CB-CG2 4.16Å; F238-V359 HydrophobicContact CD1-CB 4.31Å; F238-V359 HydrophobicContact CD1-CG1 4.21Å; F238-V359 HydrophobicContact CD1-CG2 3.79Å; F238-V359 HydrophobicContact CD2-CG1 4.11Å; F238-V359 HydrophobicContact CG-CB 4.14Å; F238-V359 HydrophobicContact CG-CG1 3.86Å; F238-V359 HydrophobicContact CG-CG2 4.13Å; G355-V359 WeakPolarHBondContact O-CB 3.24Å; G355-V359 WeakPolarHBondContact O-CG1 3.37Å; G355-V359 PolarHBondContact O-N 2.86Å; G355-V359 VanDerWaalsContact O-N 3.16Å; L356-V359 PolarHBondContact O-N 3.33Å; V359-T361 PolarHBondContact O-N 3.06Å; V359-T361 VanDerWaalsContact O-N 3.14Å; V359-S362 WeakPolarHBondContact O-CB 3.37Å; V359-S362 PolarHBondContact O-N 2.75Å; V359-S362 PolarHBondContact O-OG 3.13Å; V359-L408 HydrophobicContact CB-CD2 4.17Å; V359-L408 HydrophobicContact CG1-CD2 3.56Å; V359-L408 HydrophobicContact CG2-CD1 4.45Å; V359-L408 HydrophobicContact CG2-CD2 3.55Å; V359-L408 HydrophobicContact CG2-CG 4.44Å
360	L	98.6	Very high	97.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.2	179.5	-74.9	172.3	0	0	0	113.2	L356 V413 L417 V420 L463	L356-L360 HydrophobicContact CD1-CD1 4.14Å; L356-L360 HydrophobicContact CD1-CD2 4.09Å; L356-L360 HydrophobicContact CD1-CG 3.94Å; L356-L360 HydrophobicContact CG-CD1 4.1Å; L356-L360 HydrophobicContact CG-CG 4.37Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.45Å; L356-L360 PolarHBondContact O-N 3.12Å; L360-V413 HydrophobicContact CD2-CG1 4Å; L360-L417 HydrophobicContact CB-CD2 4.22Å; L360-L417 HydrophobicContact CD1-CD2 4.03Å; L360-V420 HydrophobicContact CD1-CG1 4.14Å; L360-V420 HydrophobicContact CD1-CG2 3.8Å; L360-L463 HydrophobicContact CD2-CD1 3.83Å
361	T	98.6	Very high	97.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-7.5	178.1	60.6	0	0	0	0	113.2	M329 I333 V358 V359 A364 V365 F457 S460	M329-T361 HydrophobicContact CB-CG2 4.24Å; M329-T361 HydrophobicContact CE-CG2 3.87Å; M329-T361 HydrophobicContact SD-CG2 4.42Å; I333-T361 HydrophobicContact CD1-CG2 3.74Å; V358-T361 PolarHBondContact O-OG1 2.93Å; V359-T361 PolarHBondContact O-N 3.06Å; V359-T361 VanDerWaalsContact O-N 3.14Å; T361-A364 PolarHBondContact O-N 2.86Å; T361-V365 WeakPolarHBondContact O-CG2 3.38Å; T361-V365 PolarHBondContact O-N 2.77Å; T361-F457 HydrophobicContact CG2-CE1 4.45Å; T361-S460 WeakPolarHBondContact CA-OG 3.25Å
362	S	98.6	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.7	-41.1	-169.1	73.5	0	0	0	0	114.1	V359 A364 V365 F366	V359-S362 WeakPolarHBondContact O-CB 3.37Å; V359-S362 PolarHBondContact O-N 2.75Å; V359-S362 PolarHBondContact O-OG 3.13Å; S362-A364 VanDerWaalsContact C-N 3.34Å; S362-A364 PolarHBondContact O-N 2.91Å; S362-V365 PolarHBondContact O-N 3.25Å; S362-F366 WeakPolarHBondContact O-CD2 3.26Å; S362-F366 PolarHBondContact O-N 2.99Å
363	P	98.8	Very high	97.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-42.2	178.3	-24.3	38	0	0	0	112.5	A367 A401 L404 R405 L408 L463	P363-A367 WeakPolarHBondContact O-CB 3.22Å; P363-A367 PolarHBondContact O-N 3.47Å; P363-A367 VanDerWaalsContact O-N 3.12Å; P363-A401 HydrophobicContact CB-CB 3.99Å; P363-A401 VanDerWaalsContact O-CB 3.28Å; P363-A401 WeakPolarHBondContact O-CB 3.3Å; P363-L404 HydrophobicContact CG-CB 4.23Å; P363-R405 HydrophobicContact CB-CG 4.15Å; P363-R405 HydrophobicContact CG-CG 4.05Å; P363-L408 HydrophobicContact CG-CD1 4.1Å; P363-L463 HydrophobicContact CG-CD2 3.99Å
364	A	98.8	Very high	97.8	Very high	11 Å²	11	15.2 Å²	15.2	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-67.3	-43.7	177.6	0	0	0	0	0	111.5	T361 S362 A367 F368 L456 A459	T361-A364 PolarHBondContact O-N 2.86Å; S362-A364 VanDerWaalsContact C-N 3.34Å; S362-A364 PolarHBondContact O-N 2.91Å; A364-A367 PolarHBondContact O-N 3.03Å; A364-F368 WeakPolarHBondContact O-CB 3.43Å; A364-F368 PolarHBondContact O-N 2.67Å; A364-L456 VanDerWaalsContact C-CD2 3.47Å; A364-L456 HydrophobicContact CB-CD2 3.85Å; A364-L456 VanDerWaalsContact O-CD2 3.29Å; A364-L456 WeakPolarHBondContact O-CD2 3.35Å; A364-A459 HydrophobicContact CB-CB 3.94Å
365	V	98.8	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-49.3	179.5	168.1	0	0	0	0	111.5	L325 C326 M329 T361 S362 A367 F368 T369 L456	L325-V365 HydrophobicContact CB-CG1 3.74Å; L325-V365 HydrophobicContact CB-CG2 3.95Å; L325-V365 HydrophobicContact CD1-CG1 4.43Å; C326-V365 VanDerWaalsContact SG-CG1 3.53Å; M329-V365 HydrophobicContact SD-CG2 3.84Å; T361-V365 WeakPolarHBondContact O-CG2 3.38Å; T361-V365 PolarHBondContact O-N 2.77Å; S362-V365 PolarHBondContact O-N 3.25Å; V365-A367 VanDerWaalsContact C-N 3.33Å; V365-A367 PolarHBondContact O-N 3.16Å; V365-F368 WeakPolarHBondContact O-CB 3.47Å; V365-F368 PolarHBondContact O-N 2.96Å; V365-F368 VanDerWaalsContact O-N 3.09Å; V365-T369 HydrophobicContact CG1-CG2 4.29Å; V365-T369 WeakPolarHBondContact O-CG2 3.38Å; V365-T369 PolarHBondContact O-N 3.5Å; V365-T369 PolarHBondContact O-OG1 3.45Å; V365-T369 VanDerWaalsContact O-OG1 3.1Å; V365-L456 HydrophobicContact CG2-CD1 4.4Å
366	F	98.6	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.1	-28.1	-178.6	-71.9	-63.9	0	0	0	112.9	L245 E246 T249 H324 S362 F368 A370 H377 L400 L404	L245-F366 HydrophobicContact CB-CE1 3.81Å; L245-F366 HydrophobicContact CB-CE2 3.91Å; L245-F366 HydrophobicContact CB-CZ 3.26Å; L245-F366 HydrophobicContact CD1-CD2 4.31Å; L245-F366 HydrophobicContact CD1-CE2 3.67Å; L245-F366 HydrophobicContact CD1-CZ 3.94Å; L245-F366 HydrophobicContact CG-CE2 4.42Å; L245-F366 HydrophobicContact CG-CZ 4.19Å; E246-F366 HydrophobicContact CG-CE1 4.46Å; E246-F366 HydrophobicContact CG-CZ 3.82Å; T249-F366 HydrophobicContact CG2-CE1 4.48Å; T249-F366 WeakPolarHBondContact OG1-CE1 2.99Å; H324-F366 AromaticContact CE1-CE1 3.92Å; S362-F366 WeakPolarHBondContact O-CD2 3.26Å; S362-F366 PolarHBondContact O-N 2.99Å; F366-F368 VanDerWaalsContact C-N 3.32Å; F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.1Å; F366-H377 AromaticContact CD1-NE2 3.71Å; F366-H377 PolarHBondContact O-CD2 2.98Å; F366-H377 PolarHBondContact O-NE2 3.17Å; F366-L400 HydrophobicContact CB-CD2 3.99Å; F366-L400 HydrophobicContact CB-CG 4.3Å; F366-L400 HydrophobicContact CD1-CD2 4.06Å; F366-L400 HydrophobicContact CG-CD2 3.98Å; F366-L404 HydrophobicContact CB-CD1 4.49Å; F366-L404 HydrophobicContact CD2-CD1 3.42Å; F366-L404 VanDerWaalsContact CD2-CD1 3.42Å; F366-L404 HydrophobicContact CE2-CD1 4.05Å; F366-L404 HydrophobicContact CG-CD1 4.28Å
367	A	98.5	Very high	98.1	Very high	40 Å²	40	21.4 Å²	21.4	33%	0.331	12%	0.119	S	C	.	.	H	α-helix	trans	-63.5	-40.4	167.7	0	0	0	0	0	111.7	P363 A364 V365 A401	P363-A367 WeakPolarHBondContact O-CB 3.22Å; P363-A367 PolarHBondContact O-N 3.47Å; P363-A367 VanDerWaalsContact O-N 3.12Å; A364-A367 PolarHBondContact O-N 3.03Å; V365-A367 VanDerWaalsContact C-N 3.33Å; V365-A367 PolarHBondContact O-N 3.16Å; A367-A401 HydrophobicContact CB-CB 4.35Å
368	F	98.7	Very high	98.2	Very high	23 Å²	23	22.7 Å²	22.7	10%	0.101	13%	0.126	C	C	.	.	H	α-helix	trans	-71.3	-41.8	179.5	171.7	-98.7	0	0	0	113.5	L325 A364 V365 F366 R446 H448 D452 L456	L325-F368 HydrophobicContact CD1-CD1 3.93Å; L325-F368 HydrophobicContact CD1-CE1 3.9Å; A364-F368 WeakPolarHBondContact O-CB 3.43Å; A364-F368 PolarHBondContact O-N 2.67Å; V365-F368 WeakPolarHBondContact O-CB 3.47Å; V365-F368 PolarHBondContact O-N 2.96Å; V365-F368 VanDerWaalsContact O-N 3.09Å; F366-F368 VanDerWaalsContact C-N 3.32Å; F368-R446 HydrophobicContact CD1-CB 4.48Å; F368-R446 HydrophobicContact CE1-CB 3.92Å; F368-R446 HydrophobicContact CE1-CG 3.83Å; F368-R446 VanDerWaalsContact CE2-NE 3.31Å; F368-R446 HydrophobicContact CZ-CB 4.44Å; F368-R446 HydrophobicContact CZ-CG 3.85Å; F368-R446 WeakPolarHBondContact O-CD 3.44Å; F368-R446 PolarHBondContact O-NH1 2.8Å; F368-H448 HydrophobicContact CE1-CB 4.29Å; F368-H448 HydrophobicContact CZ-CB 4.14Å; F368-D452 HydrophobicContact CE2-CB 3.94Å; F368-D452 WeakPolarHBondContact CE2-OD1 3.25Å; F368-D452 HydrophobicContact CZ-CB 4.04Å; F368-L456 HydrophobicContact CB-CD2 3.78Å; F368-L456 HydrophobicContact CD1-CD1 4.41Å; F368-L456 HydrophobicContact CG-CD2 4.26Å
369	T	98.3	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-83.4	-16.3	-174.4	55.3	0	0	0	0	114.1	L325 V365 S371 M372 H377 P445	L325-T369 HydrophobicContact CD1-CG2 4.24Å; V365-T369 HydrophobicContact CG1-CG2 4.29Å; V365-T369 WeakPolarHBondContact O-CG2 3.38Å; V365-T369 PolarHBondContact O-N 3.5Å; V365-T369 PolarHBondContact O-OG1 3.45Å; V365-T369 VanDerWaalsContact O-OG1 3.1Å; T369-S371 VanDerWaalsContact C-N 3.27Å; T369-S371 PolarHBondContact O-N 2.67Å; T369-S371 VanDerWaalsContact O-N 3.14Å; T369-M372 WeakPolarHBondContact O-CB 3.15Å; T369-M372 PolarHBondContact O-N 3.22Å; T369-M372 VanDerWaalsContact O-N 3.08Å; T369-H377 PolarHBondContact OG1-NE2 3.02Å; T369-P445 HydrophobicContact CG2-CG 4.07Å
370	A	97.7	Very high	98.2	Very high	6 Å²	6	25.3 Å²	25.3	5%	0.05	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.6	-173	0	0	0	0	0	115.1	F366 M372 C373 P374 H377	F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.1Å; A370-M372 PolarHBondContact O-N 2.83Å; A370-C373 CarbonylContact O-C 3.37Å; A370-C373 PolarHBondContact O-N 3.11Å; A370-C373 VanDerWaalsContact O-N 3.13Å; A370-P374 VanDerWaalsContact O-CA 3.3Å; A370-P374 WeakPolarHBondContact O-CA 3.27Å; A370-P374 VanDerWaalsContact O-CD 3.23Å; A370-P374 WeakPolarHBondContact O-CD 3.35Å; A370-H377 WeakPolarHBondContact CA-NE2 3.31Å; A370-H377 HydrophobicContact CB-CB 4.45Å
371	S	96.9	Very high	98.2	Very high	78 Å²	78	25.3 Å²	25.3	55%	0.545	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-59.5	-20.7	-179.3	63.3	0	0	0	0	113.5	T369	T369-S371 VanDerWaalsContact C-N 3.27Å; T369-S371 PolarHBondContact O-N 2.67Å; T369-S371 VanDerWaalsContact O-N 3.14Å
372	M	96.9	Very high	98.2	Very high	101 Å²	101	30.7 Å²	30.7	50%	0.498	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-86.1	-27	-179	-59.6	-53.9	-58.8	0	0	113.6	T369 A370 P445 R446	T369-M372 WeakPolarHBondContact O-CB 3.15Å; T369-M372 PolarHBondContact O-N 3.22Å; T369-M372 VanDerWaalsContact O-N 3.08Å; A370-M372 PolarHBondContact O-N 2.83Å; M372-P445 HydrophobicContact CB-CB 3.86Å; M372-P445 HydrophobicContact CB-CG 4.31Å; M372-P445 WeakPolarHBondContact CE-O 3.23Å; M372-P445 HydrophobicContact CG-CB 4.35Å; M372-P445 WeakPolarHBondContact CG-O 3.46Å; M372-R446 HydrophobicContact CG-CB 3.66Å; M372-R446 HydrophobicContact CG-CG 4.17Å
373	C	96.3	Very high	98.2	Very high	18 Å²	18	32.1 Å²	32.1	12%	0.122	17%	0.171	C	C	.	.			trans	-152.5	63.7	178.4	56.5	0	0	0	0	111.5	A370 E375 R376 H377	A370-C373 CarbonylContact O-C 3.37Å; A370-C373 PolarHBondContact O-N 3.11Å; A370-C373 VanDerWaalsContact O-N 3.13Å; C373-E375 PolarHBondContact O-N 3.44Å; C373-R376 HydrophobicContact CB-CB 4.2Å; C373-R376 HydrophobicContact CB-CG 4.28Å; C373-R376 PolarHBondContact O-N 2.9Å; C373-R376 VanDerWaalsContact O-N 3.07Å; C373-H377 PolarHBondContact O-N 3.46Å; C373-H377 PolarHBondContact O-ND1 3.21Å; C373-H377 PolarHBondContact SG-CE1 3.28Å; C373-H377 PolarHBondContact SG-ND1 2.84Å
374	P	97.8	Very high	98.2	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-31.5	-173	24.1	-33.2	0	0	0	112.2	A370 R376 H377 L378 R393 A396	A370-P374 VanDerWaalsContact O-CA 3.3Å; A370-P374 WeakPolarHBondContact O-CA 3.27Å; A370-P374 VanDerWaalsContact O-CD 3.23Å; A370-P374 WeakPolarHBondContact O-CD 3.35Å; P374-R376 PolarHBondContact O-N 2.97Å; P374-H377 PolarHBondContact O-N 2.89Å; P374-L378 WeakPolarHBondContact O-CG 3.43Å; P374-L378 PolarHBondContact O-N 3.22Å; P374-R393 HydrophobicContact CB-CB 4.12Å; P374-R393 WeakPolarHBondContact CB-O 3.34Å; P374-R393 HydrophobicContact CG-CB 4.25Å; P374-A396 HydrophobicContact CB-CB 3.85Å
375	E	97.8	Very high	98.1	Very high	97 Å²	97	35.2 Å²	35.2	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-41.7	176.1	-60.5	87.8	165	0	0	112.2	C373 H377 L378 E379 R393	C373-E375 PolarHBondContact O-N 3.44Å; E375-H377 VanDerWaalsContact C-N 3.32Å; E375-H377 PolarHBondContact O-N 3.11Å; E375-L378 PolarHBondContact O-N 2.99Å; E375-E379 WeakPolarHBondContact O-CB 3.16Å; E375-E379 PolarHBondContact O-N 3.49Å; E375-R393 IonicContact OE1-CZ 2.63Å; E375-R393 IonicContact OE1-NE 3.51Å; E375-R393 IonicContact OE1-NH1 2.87Å; E375-R393 PolarHBondContact OE1-NH1 3.06Å; E375-R393 IonicContact OE1-NH2 3.67Å; E375-R393 PolarHBondContact OE1-NH2 3.1Å; E375-R393 IonicContact OE2-NH2 3.21Å
376	R	98.3	Very high	98.1	Very high	64 Å²	64	36 Å²	36	24%	0.242	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-34	177.1	-67.1	-165.6	176.6	-139.7	-11.8	111.7	Y248 T249 D277 C373 P374 A380	Y248-R376 HydrophobicContact CD1-CB 4.01Å; Y248-R376 HydrophobicContact CD1-CG 4.44Å; Y248-R376 HydrophobicContact CE1-CB 3.63Å; Y248-R376 HydrophobicContact CE1-CG 3.85Å; Y248-R376 WeakPolarHBondContact O-CD 3.43Å; Y248-R376 PolarHBondContact O-NH1 3.25Å; T249-R376 HydrophobicContact CG2-CB 4.37Å; D277-R376 VanDerWaalsContact CG-NH1 3.3Å; D277-R376 IonicContact OD1-CZ 3.67Å; D277-R376 IonicContact OD1-NH1 2.58Å; D277-R376 PolarHBondContact OD1-NH1 3.47Å; D277-R376 IonicContact OD1-NH2 2.72Å; D277-R376 IonicContact OD2-CZ 2.67Å; D277-R376 IonicContact OD2-NH1 2.73Å; D277-R376 PolarHBondContact OD2-NH1 2.91Å; D277-R376 VanDerWaalsContact OD2-NH1 3.11Å; D277-R376 IonicContact OD2-NH2 2.96Å; D277-R376 PolarHBondContact OD2-NH2 3.3Å; C373-R376 HydrophobicContact CB-CB 4.2Å; C373-R376 HydrophobicContact CB-CG 4.28Å; C373-R376 PolarHBondContact O-N 2.9Å; C373-R376 VanDerWaalsContact O-N 3.07Å; P374-R376 PolarHBondContact O-N 2.97Å; R376-A380 VanDerWaalsContact O-CB 3.28Å; R376-A380 WeakPolarHBondContact O-CB 3.24Å; R376-A380 PolarHBondContact O-N 2.88Å
377	H	98.7	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.5	-42.2	175.8	-73.2	65.3	0	0	0	111.7	T249 F366 T369 A370 C373 P374 E375 A380 A381 A396 L400	T249-H377 VanDerWaalsContact CG2-CE1 3.49Å; T249-H377 WeakPolarHBondContact CG2-CE1 3.38Å; F366-H377 AromaticContact CD1-NE2 3.71Å; F366-H377 PolarHBondContact O-CD2 2.98Å; F366-H377 PolarHBondContact O-NE2 3.17Å; T369-H377 PolarHBondContact OG1-NE2 3.02Å; A370-H377 WeakPolarHBondContact CA-NE2 3.31Å; A370-H377 HydrophobicContact CB-CB 4.45Å; C373-H377 PolarHBondContact O-N 3.46Å; C373-H377 PolarHBondContact O-ND1 3.21Å; C373-H377 PolarHBondContact SG-CE1 3.28Å; C373-H377 PolarHBondContact SG-ND1 2.84Å; P374-H377 PolarHBondContact O-N 2.89Å; E375-H377 VanDerWaalsContact C-N 3.32Å; E375-H377 PolarHBondContact O-N 3.11Å; H377-A380 PolarHBondContact O-N 2.97Å; H377-A381 WeakPolarHBondContact O-CB 3.43Å; H377-A381 PolarHBondContact O-N 2.99Å; H377-A396 HydrophobicContact CB-CB 4.11Å; H377-L400 HydrophobicContact CB-CD2 4.23Å
378	L	98.7	Very high	97.9	Very high	27 Å²	27	41.1 Å²	41.1	14%	0.141	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-46.6	175	-70.9	171.8	0	0	0	111.6	P374 E375 A380 A381 E382 V388 T391 A396 L399	P374-L378 WeakPolarHBondContact O-CG 3.43Å; P374-L378 PolarHBondContact O-N 3.22Å; E375-L378 PolarHBondContact O-N 2.99Å; L378-A380 VanDerWaalsContact C-N 3.32Å; L378-A380 PolarHBondContact O-N 3.14Å; L378-A381 PolarHBondContact O-N 3.15Å; L378-E382 WeakPolarHBondContact O-CB 3.11Å; L378-E382 PolarHBondContact O-N 2.95Å; L378-V388 HydrophobicContact CB-CG1 4.43Å; L378-V388 HydrophobicContact CD2-CG1 4.21Å; L378-T391 HydrophobicContact CD2-CG2 3.61Å; L378-A396 HydrophobicContact CD1-CB 4.33Å; L378-A396 HydrophobicContact CD2-CB 3.86Å; L378-A396 HydrophobicContact CG-CB 3.68Å; L378-L399 HydrophobicContact CD2-CD2 4.13Å
379	E	98.6	Very high	97.7	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-42.7	176.1	-176.6	-178	-178.5	0	0	111.3	Y248 R281 E375 E382 I383	Y248-E379 PolarHBondContact OH-OE2 2.7Å; R281-E379 WeakPolarHBondContact CD-OE1 3.43Å; R281-E379 IonicContact NH1-OE1 3.67Å; R281-E379 PolarHBondContact NH1-OE1 3.05Å; E375-E379 WeakPolarHBondContact O-CB 3.16Å; E375-E379 PolarHBondContact O-N 3.49Å; E379-E382 PolarHBondContact O-N 3.26Å; E379-I383 HydrophobicContact CG-CD1 4.04Å; E379-I383 VanDerWaalsContact O-CG1 3.25Å; E379-I383 WeakPolarHBondContact O-CG1 3.41Å; E379-I383 PolarHBondContact O-N 3.38Å
380	A	98.6	Very high	97.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-43	175.9	0	0	0	0	0	112.3	L245 L284 R376 H377 L378 I383 L384 L400	L245-A380 HydrophobicContact CD2-CB 3.59Å; L284-A380 HydrophobicContact CD1-CB 4.26Å; R376-A380 VanDerWaalsContact O-CB 3.28Å; R376-A380 WeakPolarHBondContact O-CB 3.24Å; R376-A380 PolarHBondContact O-N 2.88Å; H377-A380 PolarHBondContact O-N 2.97Å; L378-A380 VanDerWaalsContact C-N 3.32Å; L378-A380 PolarHBondContact O-N 3.14Å; A380-I383 PolarHBondContact O-N 2.91Å; A380-L384 WeakPolarHBondContact O-CB 3.28Å; A380-L384 VanDerWaalsContact O-CG 3.26Å; A380-L384 WeakPolarHBondContact O-CG 3.21Å; A380-L384 PolarHBondContact O-N 2.69Å; A380-L400 HydrophobicContact CB-CD1 4.4Å; A380-L400 HydrophobicContact CB-CD2 4.33Å
381	A	98.7	Very high	97.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-43.6	175.7	0	0	0	0	0	111.4	H377 L378 L384 G385 A386 L399 L400	H377-A381 WeakPolarHBondContact O-CB 3.43Å; H377-A381 PolarHBondContact O-N 2.99Å; L378-A381 PolarHBondContact O-N 3.15Å; A381-L384 CarbonylContact O-C 3.59Å; A381-L384 PolarHBondContact O-N 3Å; A381-G385 PolarHBondContact O-N 3.38Å; A381-G385 VanDerWaalsContact O-N 3.1Å; A381-A386 HydrophobicContact CB-CB 3.94Å; A381-A386 VanDerWaalsContact O-CB 3.27Å; A381-A386 WeakPolarHBondContact O-CB 3.43Å; A381-A386 PolarHBondContact O-N 3.21Å; A381-L399 HydrophobicContact CB-CD2 4.29Å; A381-L399 HydrophobicContact CB-CG 4.22Å; A381-L400 HydrophobicContact CB-CB 4.24Å; A381-L400 HydrophobicContact CB-CD1 4.13Å
382	E	98.6	Very high	97.2	Very high	113 Å²	113	55 Å²	55	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-47.4	175.8	-175.8	178	-147.8	0	0	111.8	L378 E379 L384 G385 V388	L378-E382 WeakPolarHBondContact O-CB 3.11Å; L378-E382 PolarHBondContact O-N 2.95Å; E379-E382 PolarHBondContact O-N 3.26Å; E382-L384 PolarHBondContact O-N 3.07Å; E382-G385 WeakPolarHBondContact O-CA 3.49Å; E382-G385 PolarHBondContact O-N 3.37Å; E382-V388 HydrophobicContact CB-CG1 3.93Å; E382-V388 HydrophobicContact CB-CG2 4.03Å; E382-V388 HydrophobicContact CG-CG2 4.06Å
383	I	98.7	Very high	97.1	Very high	30 Å²	30	57.3 Å²	57.3	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-38.7	176.2	-69.7	165.2	0	0	0	111	R281 L284 N285 A288 E379 A380 G385	R281-I383 HydrophobicContact CB-CD1 4.41Å; R281-I383 HydrophobicContact CG-CD1 4.3Å; L284-I383 HydrophobicContact CB-CB 4.5Å; L284-I383 HydrophobicContact CB-CG2 3.59Å; L284-I383 HydrophobicContact CD1-CD1 4.46Å; N285-I383 HydrophobicContact CB-CG2 4.32Å; A288-I383 WeakPolarHBondContact CB-O 3.36Å; E379-I383 HydrophobicContact CG-CD1 4.04Å; E379-I383 VanDerWaalsContact O-CG1 3.25Å; E379-I383 WeakPolarHBondContact O-CG1 3.41Å; E379-I383 PolarHBondContact O-N 3.38Å; A380-I383 PolarHBondContact O-N 2.91Å; I383-G385 PolarHBondContact O-N 2.85Å
384	L	98.6	Very high	97.1	Very high	11 Å²	11	63.3 Å²	63.3	6%	0.058	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-0.1	178.6	-65.4	173.1	0	0	0	113.4	L241 L245 L284 V287 A288 A380 A381 E382 L400 T403 L404 F407	L241-L384 HydrophobicContact CD1-CD1 3.96Å; L241-L384 HydrophobicContact CD1-CD2 3.86Å; L245-L384 HydrophobicContact CD2-CD1 4.32Å; L284-L384 HydrophobicContact CD2-CD2 4.45Å; V287-L384 HydrophobicContact CG1-CD2 4.38Å; A288-L384 HydrophobicContact CB-CD2 4.26Å; A380-L384 WeakPolarHBondContact O-CB 3.28Å; A380-L384 VanDerWaalsContact O-CG 3.26Å; A380-L384 WeakPolarHBondContact O-CG 3.21Å; A380-L384 PolarHBondContact O-N 2.69Å; A381-L384 CarbonylContact O-C 3.59Å; A381-L384 PolarHBondContact O-N 3Å; E382-L384 PolarHBondContact O-N 3.07Å; L384-L400 HydrophobicContact CD1-CD1 4.03Å; L384-T403 HydrophobicContact CB-CG2 3.67Å; L384-L404 HydrophobicContact CD1-CD2 4.35Å; L384-F407 HydrophobicContact CB-CE2 4.22Å; L384-F407 HydrophobicContact CD2-CE2 4.44Å; L384-F407 HydrophobicContact CD2-CZ 4.2Å; L384-F407 WeakPolarHBondContact O-CE2 3.47Å
385	G	97.3	Very high	97.1	Very high	67 Å²	67	65.8 Å²	65.8	69%	0.691	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.4	11.4	169.7	0	0	0	0	0	115.8	A381 E382 I383	A381-G385 PolarHBondContact O-N 3.38Å; A381-G385 VanDerWaalsContact O-N 3.1Å; E382-G385 WeakPolarHBondContact O-CA 3.49Å; E382-G385 PolarHBondContact O-N 3.37Å; I383-G385 PolarHBondContact O-N 2.85Å
386	A	97.7	Very high	97.1	Very high	17 Å²	17	61.1 Å²	61.1	14%	0.14	32%	0.322	C	S	.	.			trans	-77.9	146.5	173.9	0	0	0	0	0	112.1	A381 L399 T403	A381-A386 HydrophobicContact CB-CB 3.94Å; A381-A386 VanDerWaalsContact O-CB 3.27Å; A381-A386 WeakPolarHBondContact O-CB 3.43Å; A381-A386 PolarHBondContact O-N 3.21Å; A386-L399 HydrophobicContact CB-CD1 4.09Å; A386-L399 HydrophobicContact CB-CD2 4.22Å; A386-L399 HydrophobicContact CB-CG 4.11Å; A386-T403 WeakPolarHBondContact CB-OG1 3.37Å
387	D	96.9	Very high	97.1	Very high	116 Å²	116	58.3 Å²	58.3	62%	0.62	31%	0.312	S	S	*	.			trans	-81.2	120.5	168.1	-178.5	3.8	0	0	0	110	S389	D387-S389 VanDerWaalsContact OD1-CB 3.24Å; D387-S389 WeakPolarHBondContact OD1-CB 3.12Å; D387-S389 PolarHBondContact OD1-N 2.91Å; D387-S389 PolarHBondContact OD1-OG 3.42Å; D387-S389 PolarHBondContact OD2-OG 3.42Å
388	V	96.9	Very high	97	Very high	31 Å²	31	63 Å²	63	19%	0.188	34%	0.337	C	S	.	.			trans	-107.1	-0.9	-179.2	-62.1	0	0	0	0	113.6	L378 E382 N390 T391 L399	L378-V388 HydrophobicContact CB-CG1 4.43Å; L378-V388 HydrophobicContact CD2-CG1 4.21Å; E382-V388 HydrophobicContact CB-CG1 3.93Å; E382-V388 HydrophobicContact CB-CG2 4.03Å; E382-V388 HydrophobicContact CG-CG2 4.06Å; V388-N390 VanDerWaalsContact C-N 3.26Å; V388-N390 PolarHBondContact O-N 3Å; V388-N390 VanDerWaalsContact O-N 3.14Å; V388-T391 PolarHBondContact O-N 2.96Å; V388-T391 VanDerWaalsContact O-N 3.17Å; V388-L399 HydrophobicContact CG1-CD2 3.78Å
389	S	93.9	Very high	97	Very high	81 Å²	81	63.6 Å²	63.6	57%	0.566	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.8	-168.7	60.2	0	0	0	0	114.6	D387	D387-S389 VanDerWaalsContact OD1-CB 3.24Å; D387-S389 WeakPolarHBondContact OD1-CB 3.12Å; D387-S389 PolarHBondContact OD1-N 2.91Å; D387-S389 PolarHBondContact OD1-OG 3.42Å; D387-S389 PolarHBondContact OD2-OG 3.42Å
390	N	91.9	Very high	97	Very high	153 Å²	153	61 Å²	61	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	21.3	179.8	-66.5	-63.9	0	0	0	113	V388	V388-N390 VanDerWaalsContact C-N 3.26Å; V388-N390 PolarHBondContact O-N 3Å; V388-N390 VanDerWaalsContact O-N 3.14Å
391	T	94.6	Very high	97	Very high	41 Å²	41	61 Å²	61	25%	0.252	33%	0.328	S	S	.	.			trans	-92	129.3	-177	-54.9	0	0	0	0	110.4	L378 V388 D395 L399	L378-T391 HydrophobicContact CD2-CG2 3.61Å; V388-T391 PolarHBondContact O-N 2.96Å; V388-T391 VanDerWaalsContact O-N 3.17Å; T391-D395 HydrophobicContact CG2-CB 4.03Å; T391-L399 HydrophobicContact CG2-CB 4.39Å; T391-L399 HydrophobicContact CG2-CD2 3.81Å
392	K	95.4	Very high	97	Very high	122 Å²	122	65.2 Å²	65.2	53%	0.53	35%	0.351	S	S	.	.			trans	-77.8	154.3	173.8	-58.7	176.9	-178.3	170.7	0	110.5	E394 D395 A396	K392-E394 HydrophobicContact CB-CG 3.8Å; K392-E394 HydrophobicContact CD-CG 3.99Å; K392-E394 WeakPolarHBondContact CD-OE1 3.45Å; K392-E394 IonicContact NZ-OE1 3.67Å; K392-E394 PolarHBondContact NZ-OE1 3.47Å; K392-E394 PolarHBondContact O-N 2.49Å; K392-D395 PolarHBondContact O-N 2.96Å; K392-A396 PolarHBondContact O-N 3.23Å
393	R	95.7	Very high	97	Very high	150 Å²	150	60.6 Å²	60.6	57%	0.566	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-56.7	-33.6	175.8	-68.2	174.5	59.4	149	8.5	113.4	P374 E375 D395 A396	P374-R393 HydrophobicContact CB-CB 4.12Å; P374-R393 WeakPolarHBondContact CB-O 3.34Å; P374-R393 HydrophobicContact CG-CB 4.25Å; E375-R393 IonicContact OE1-CZ 2.63Å; E375-R393 IonicContact OE1-NE 3.51Å; E375-R393 IonicContact OE1-NH1 2.87Å; E375-R393 PolarHBondContact OE1-NH1 3.06Å; E375-R393 IonicContact OE1-NH2 3.67Å; E375-R393 PolarHBondContact OE1-NH2 3.1Å; E375-R393 IonicContact OE2-NH2 3.21Å; R393-D395 VanDerWaalsContact C-N 3.26Å; R393-D395 PolarHBondContact O-N 2.93Å; R393-A396 VanDerWaalsContact O-CB 3.3Å; R393-A396 WeakPolarHBondContact O-CB 3.49Å; R393-A396 PolarHBondContact O-N 3.12Å
394	E	96.2	Very high	97	Very high	144 Å²	144	59.2 Å²	59.2	67%	0.673	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-66.1	-27.3	177.5	60.7	-163.2	-165.9	0	0	113	K392	K392-E394 HydrophobicContact CB-CG 3.8Å; K392-E394 HydrophobicContact CD-CG 3.99Å; K392-E394 WeakPolarHBondContact CD-OE1 3.45Å; K392-E394 IonicContact NZ-OE1 3.67Å; K392-E394 PolarHBondContact NZ-OE1 3.47Å; K392-E394 PolarHBondContact O-N 2.49Å
395	D	97.5	Very high	97	Very high	62 Å²	62	62.2 Å²	62.2	33%	0.332	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-92.9	-1.6	-178.8	-57.7	-47.5	0	0	0	112.9	T391 K392 R393 G397 L398 L399	T391-D395 HydrophobicContact CG2-CB 4.03Å; K392-D395 PolarHBondContact O-N 2.96Å; R393-D395 VanDerWaalsContact C-N 3.26Å; R393-D395 PolarHBondContact O-N 2.93Å; D395-G397 VanDerWaalsContact C-N 3.27Å; D395-G397 PolarHBondContact O-N 3.1Å; D395-L398 PolarHBondContact O-N 3.45Å; D395-L398 VanDerWaalsContact O-N 3.1Å; D395-L399 PolarHBondContact O-N 2.69Å
396	A	98.1	Very high	97	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55	-41.1	-175	0	0	0	0	0	113.2	P374 H377 L378 K392 R393 L400	P374-A396 HydrophobicContact CB-CB 3.85Å; H377-A396 HydrophobicContact CB-CB 4.11Å; L378-A396 HydrophobicContact CD1-CB 4.33Å; L378-A396 HydrophobicContact CD2-CB 3.86Å; L378-A396 HydrophobicContact CG-CB 3.68Å; K392-A396 PolarHBondContact O-N 3.23Å; R393-A396 VanDerWaalsContact O-CB 3.3Å; R393-A396 WeakPolarHBondContact O-CB 3.49Å; R393-A396 PolarHBondContact O-N 3.12Å; A396-L400 PolarHBondContact O-N 2.73Å; A396-L400 VanDerWaalsContact O-N 3.12Å
397	G	97.3	Very high	97	Very high	4 Å²	4	63.4 Å²	63.4	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-68.8	-40.2	179	0	0	0	0	0	113	D395 A401	D395-G397 VanDerWaalsContact C-N 3.27Å; D395-G397 PolarHBondContact O-N 3.1Å; G397-A401 WeakPolarHBondContact O-CB 3.14Å; G397-A401 PolarHBondContact O-N 2.94Å
398	L	97.8	Very high	97	Very high	100 Å²	100	58 Å²	58	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-44.8	177.5	-64.6	177.7	0	0	0	110.8	D395 L400 A401 D402	D395-L398 PolarHBondContact O-N 3.45Å; D395-L398 VanDerWaalsContact O-N 3.1Å; L398-L400 PolarHBondContact O-N 3.11Å; L398-A401 PolarHBondContact O-N 2.9Å; L398-D402 PolarHBondContact O-N 3.11Å
399	L	98.6	Very high	97	Very high	38 Å²	38	63.4 Å²	63.4	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-46.2	178.3	-176.7	63.6	0	0	0	112.1	L378 A381 A386 V388 T391 D395 D402 T403	L378-L399 HydrophobicContact CD2-CD2 4.13Å; A381-L399 HydrophobicContact CB-CD2 4.29Å; A381-L399 HydrophobicContact CB-CG 4.22Å; A386-L399 HydrophobicContact CB-CD1 4.09Å; A386-L399 HydrophobicContact CB-CD2 4.22Å; A386-L399 HydrophobicContact CB-CG 4.11Å; V388-L399 HydrophobicContact CG1-CD2 3.78Å; T391-L399 HydrophobicContact CG2-CB 4.39Å; T391-L399 HydrophobicContact CG2-CD2 3.81Å; D395-L399 PolarHBondContact O-N 2.69Å; L399-D402 PolarHBondContact O-N 3.44Å; L399-T403 WeakPolarHBondContact O-CB 3.42Å; L399-T403 PolarHBondContact O-N 3.46Å; L399-T403 PolarHBondContact O-OG1 3.43Å
400	L	98.7	Very high	97.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-40.9	176.6	-178.3	56.5	0	0	0	111.2	L245 F366 H377 A380 A381 L384 A396 L398 D402 T403 L404	L245-L400 HydrophobicContact CD2-CD1 4.47Å; L245-L400 HydrophobicContact CD2-CD2 4.43Å; F366-L400 HydrophobicContact CB-CD2 3.99Å; F366-L400 HydrophobicContact CB-CG 4.3Å; F366-L400 HydrophobicContact CD1-CD2 4.06Å; F366-L400 HydrophobicContact CG-CD2 3.98Å; H377-L400 HydrophobicContact CB-CD2 4.23Å; A380-L400 HydrophobicContact CB-CD1 4.4Å; A380-L400 HydrophobicContact CB-CD2 4.33Å; A381-L400 HydrophobicContact CB-CB 4.24Å; A381-L400 HydrophobicContact CB-CD1 4.13Å; L384-L400 HydrophobicContact CD1-CD1 4.03Å; A396-L400 PolarHBondContact O-N 2.73Å; A396-L400 VanDerWaalsContact O-N 3.12Å; L398-L400 PolarHBondContact O-N 3.11Å; L400-D402 PolarHBondContact O-N 3.08Å; L400-T403 WeakPolarHBondContact O-CB 3.22Å; L400-T403 PolarHBondContact O-N 3.25Å; L400-L404 HydrophobicContact CD1-CD1 4.43Å; L400-L404 HydrophobicContact CD1-CG 4.3Å; L400-L404 HydrophobicContact CG-CD1 4.21Å; L400-L404 VanDerWaalsContact O-CG 3.27Å; L400-L404 WeakPolarHBondContact O-CG 3.31Å; L400-L404 PolarHBondContact O-N 3.1Å
401	A	98.6	Very high	97.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-44.4	176.5	0	0	0	0	0	112.2	P363 A367 G397 L398 L404 R405	P363-A401 HydrophobicContact CB-CB 3.99Å; P363-A401 VanDerWaalsContact O-CB 3.28Å; P363-A401 WeakPolarHBondContact O-CB 3.3Å; A367-A401 HydrophobicContact CB-CB 4.35Å; G397-A401 WeakPolarHBondContact O-CB 3.14Å; G397-A401 PolarHBondContact O-N 2.94Å; L398-A401 PolarHBondContact O-N 2.9Å; A401-L404 PolarHBondContact O-N 2.91Å; A401-R405 WeakPolarHBondContact O-CG 3.37Å; A401-R405 PolarHBondContact O-N 2.89Å
402	D	98.4	Very high	97.5	Very high	90 Å²	90	59.5 Å²	59.5	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-67.7	-38.7	177.3	-71.9	-19.1	0	0	0	112.2	L398 L399 L400 L404 R405 Q406	L398-D402 PolarHBondContact O-N 3.11Å; L399-D402 PolarHBondContact O-N 3.44Å; L400-D402 PolarHBondContact O-N 3.08Å; D402-L404 VanDerWaalsContact C-N 3.28Å; D402-L404 PolarHBondContact O-N 3.48Å; D402-R405 PolarHBondContact O-N 3.4Å; D402-R405 IonicContact OD1-CZ 2.73Å; D402-R405 IonicContact OD1-NH1 3.87Å; D402-R405 PolarHBondContact OD1-NH1 3.43Å; D402-Q406 PolarHBondContact O-N 2.81Å
403	T	98.5	Very high	97.5	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-43.4	172.9	-55	0	0	0	0	110.9	L384 A386 L399 L400 Q406 F407	L384-T403 HydrophobicContact CB-CG2 3.67Å; A386-T403 WeakPolarHBondContact CB-OG1 3.37Å; L399-T403 WeakPolarHBondContact O-CB 3.42Å; L399-T403 PolarHBondContact O-N 3.46Å; L399-T403 PolarHBondContact O-OG1 3.43Å; L400-T403 WeakPolarHBondContact O-CB 3.22Å; L400-T403 PolarHBondContact O-N 3.25Å; T403-Q406 PolarHBondContact O-N 3.5Å; T403-F407 WeakPolarHBondContact O-CD2 2.91Å; T403-F407 PolarHBondContact O-N 3.22Å; T403-F407 VanDerWaalsContact O-N 3.16Å
404	L	98.6	Very high	97.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-44.8	176.3	-68.9	171.6	0	0	0	112	L241 L245 P363 F366 L384 L400 A401 D402 Q406 F407 L408	L241-L404 HydrophobicContact CD1-CD2 4.43Å; L241-L404 HydrophobicContact CD2-CD2 3.77Å; L241-L404 HydrophobicContact CG-CD2 4.3Å; L245-L404 HydrophobicContact CD1-CD1 4.19Å; L245-L404 HydrophobicContact CD1-CD2 3.78Å; P363-L404 HydrophobicContact CG-CB 4.23Å; F366-L404 HydrophobicContact CB-CD1 4.49Å; F366-L404 HydrophobicContact CD2-CD1 3.42Å; F366-L404 VanDerWaalsContact CD2-CD1 3.42Å; F366-L404 HydrophobicContact CE2-CD1 4.05Å; F366-L404 HydrophobicContact CG-CD1 4.28Å; L384-L404 HydrophobicContact CD1-CD2 4.35Å; L400-L404 HydrophobicContact CD1-CD1 4.43Å; L400-L404 HydrophobicContact CD1-CG 4.3Å; L400-L404 HydrophobicContact CG-CD1 4.21Å; L400-L404 VanDerWaalsContact O-CG 3.27Å; L400-L404 WeakPolarHBondContact O-CG 3.31Å; L400-L404 PolarHBondContact O-N 3.1Å; A401-L404 PolarHBondContact O-N 2.91Å; D402-L404 VanDerWaalsContact C-N 3.28Å; D402-L404 PolarHBondContact O-N 3.48Å; L404-Q406 PolarHBondContact O-N 3.02Å; L404-F407 WeakPolarHBondContact O-CB 3.29Å; L404-F407 PolarHBondContact O-N 2.91Å; L404-L408 VanDerWaalsContact O-CG 3.27Å; L404-L408 WeakPolarHBondContact O-CG 3.46Å; L404-L408 PolarHBondContact O-N 3.36Å
405	R	98.6	Very high	97.5	Very high	74 Å²	74	43.8 Å²	43.8	28%	0.279	21%	0.209	S	C	.	.	H	α-helix	trans	-54.8	-42.2	173.7	-72.6	177.1	-174.6	110.8	4.1	111	P363 A401 D402 F407 L408 Y409 L463 Y464	P363-R405 HydrophobicContact CB-CG 4.15Å; P363-R405 HydrophobicContact CG-CG 4.05Å; A401-R405 WeakPolarHBondContact O-CG 3.37Å; A401-R405 PolarHBondContact O-N 2.89Å; D402-R405 PolarHBondContact O-N 3.4Å; D402-R405 IonicContact OD1-CZ 2.73Å; D402-R405 IonicContact OD1-NH1 3.87Å; D402-R405 PolarHBondContact OD1-NH1 3.43Å; R405-F407 PolarHBondContact O-N 3.37Å; R405-L408 PolarHBondContact O-N 2.67Å; R405-Y409 WeakPolarHBondContact O-CB 3.28Å; R405-Y409 PolarHBondContact O-N 2.79Å; R405-L463 WeakPolarHBondContact CD-O 3.41Å; R405-L463 PolarHBondContact NE-O 2.98Å; R405-Y464 HydrophobicContact CB-CE1 4.31Å; R405-Y464 WeakPolarHBondContact O-CE1 3.46Å
406	Q	97.7	Very high	97.5	Very high	100 Å²	100	40.9 Å²	40.9	47%	0.467	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-42.6	176.7	-168.9	62.5	54.2	0	0	112.3	D402 T403 L404 L408 Y409 D410	D402-Q406 PolarHBondContact O-N 2.81Å; T403-Q406 PolarHBondContact O-N 3.5Å; L404-Q406 PolarHBondContact O-N 3.02Å; Q406-L408 PolarHBondContact O-N 3Å; Q406-Y409 PolarHBondContact O-N 3.04Å; Q406-D410 PolarHBondContact NE2-OD1 2.99Å; Q406-D410 WeakPolarHBondContact O-CB 3.24Å; Q406-D410 PolarHBondContact O-N 3.09Å
407	F	96.4	Very high	97.5	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-45.6	174.1	-96.2	-103	0	0	0	112.5	V287 L384 T403 L404 R405 Y409 L411	V287-F407 HydrophobicContact CG1-CE1 4.35Å; L384-F407 HydrophobicContact CB-CE2 4.22Å; L384-F407 HydrophobicContact CD2-CE2 4.44Å; L384-F407 HydrophobicContact CD2-CZ 4.2Å; L384-F407 WeakPolarHBondContact O-CE2 3.47Å; T403-F407 WeakPolarHBondContact O-CD2 2.91Å; T403-F407 PolarHBondContact O-N 3.22Å; T403-F407 VanDerWaalsContact O-N 3.16Å; L404-F407 WeakPolarHBondContact O-CB 3.29Å; L404-F407 PolarHBondContact O-N 2.91Å; R405-F407 PolarHBondContact O-N 3.37Å; F407-Y409 VanDerWaalsContact C-N 3.33Å; F407-L411 WeakPolarHBondContact O-CB 3.19Å; F407-L411 WeakPolarHBondContact O-CG 3.38Å; F407-L411 PolarHBondContact O-N 2.92Å; F407-L411 VanDerWaalsContact O-N 3.15Å
408	L	97.9	Very high	97.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-40.9	179.3	-62.5	175.6	0	0	0	111.1	F238 V359 P363 L404 R405 Q406 L411 K412 V413 L463 Y464	F238-L408 HydrophobicContact CD1-CD2 3.94Å; F238-L408 HydrophobicContact CE1-CD2 3.45Å; F238-L408 VanDerWaalsContact CE1-CD2 3.45Å; F238-L408 HydrophobicContact CE2-CD2 4.37Å; F238-L408 HydrophobicContact CZ-CD2 3.7Å; V359-L408 HydrophobicContact CB-CD2 4.17Å; V359-L408 HydrophobicContact CG1-CD2 3.56Å; V359-L408 HydrophobicContact CG2-CD1 4.45Å; V359-L408 HydrophobicContact CG2-CD2 3.55Å; V359-L408 HydrophobicContact CG2-CG 4.44Å; P363-L408 HydrophobicContact CG-CD1 4.1Å; L404-L408 VanDerWaalsContact O-CG 3.27Å; L404-L408 WeakPolarHBondContact O-CG 3.46Å; L404-L408 PolarHBondContact O-N 3.36Å; R405-L408 PolarHBondContact O-N 2.67Å; Q406-L408 PolarHBondContact O-N 3Å; L408-L411 CarbonylContact O-C 3.23Å; L408-L411 PolarHBondContact O-N 3.32Å; L408-K412 PolarHBondContact O-N 3.49Å; L408-K412 VanDerWaalsContact O-N 3.13Å; L408-V413 HydrophobicContact CB-CB 4.06Å; L408-V413 HydrophobicContact CB-CG2 4.24Å; L408-V413 HydrophobicContact CD2-CB 4.16Å; L408-V413 HydrophobicContact CD2-CG1 4.18Å; L408-V413 HydrophobicContact CD2-CG2 3.76Å; L408-V413 WeakPolarHBondContact O-CB 3.41Å; L408-V413 PolarHBondContact O-N 3.12Å; L408-L463 HydrophobicContact CD1-CD1 3.86Å; L408-Y464 WeakPolarHBondContact CA-OH 3.29Å; L408-Y464 HydrophobicContact CB-CE1 4.42Å; L408-Y464 WeakPolarHBondContact CB-OH 3.46Å; L408-Y464 PolarHBondContact O-OH 2.84Å
409	Y	97.8	Very high	97.5	Very high	146 Å²	146	40.4 Å²	40.4	57%	0.573	20%	0.201	S	C	*	.	H	α-helix	trans	-65.2	-49.7	178.9	-178.2	-94.6	0	0	0	111	R405 Q406 F407 L411 K412 Y464	R405-Y409 WeakPolarHBondContact O-CB 3.28Å; R405-Y409 PolarHBondContact O-N 2.79Å; Q406-Y409 PolarHBondContact O-N 3.04Å; F407-Y409 VanDerWaalsContact C-N 3.33Å; Y409-L411 PolarHBondContact O-N 3.38Å; Y409-K412 PolarHBondContact O-N 3.26Å; Y409-Y464 WeakPolarHBondContact CA-OH 3.5Å; Y409-Y464 HydrophobicContact CD2-CD1 4.19Å; Y409-Y464 HydrophobicContact CD2-CD2 4.45Å; Y409-Y464 HydrophobicContact CD2-CE1 4.27Å; Y409-Y464 HydrophobicContact CD2-CG 4.29Å; Y409-Y464 HydrophobicContact CG-CE1 4.48Å; Y409-Y464 PolarHBondContact N-OH 3.28Å
410	D	96.7	Very high	97.5	Very high	58 Å²	58	38.8 Å²	38.8	31%	0.31	19%	0.192	S	C	.	.	H	α-helix	trans	-61.4	-31.2	-178.6	-69.1	-17	0	0	0	112.5	K292 Q406 K412	K292-D410 VanDerWaalsContact CE-OD2 3.29Å; K292-D410 WeakPolarHBondContact CE-OD2 3.4Å; K292-D410 IonicContact NZ-OD2 2.62Å; K292-D410 PolarHBondContact NZ-OD2 3.27Å; Q406-D410 PolarHBondContact NE2-OD1 2.99Å; Q406-D410 WeakPolarHBondContact O-CB 3.24Å; Q406-D410 PolarHBondContact O-N 3.09Å; D410-K412 VanDerWaalsContact C-N 3.35Å
411	L	96.8	Very high	97.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.6	177.7	-63.2	179.4	0	0	0	113.1	R231 F238 M291 K292 V295 F407 L408 Y409 V413	R231-L411 PolarHBondContact NH1-O 3.42Å; F238-L411 HydrophobicContact CE1-CD1 3.9Å; F238-L411 HydrophobicContact CE2-CB 4.41Å; F238-L411 HydrophobicContact CE2-CD1 4.39Å; F238-L411 HydrophobicContact CZ-CB 3.78Å; F238-L411 HydrophobicContact CZ-CD1 3.57Å; F238-L411 HydrophobicContact CZ-CG 4.3Å; M291-L411 HydrophobicContact CE-CD1 3.57Å; M291-L411 HydrophobicContact CG-CD1 4.23Å; M291-L411 HydrophobicContact SD-CD1 4.19Å; K292-L411 HydrophobicContact CB-CD2 4.43Å; K292-L411 HydrophobicContact CG-CD2 4.14Å; K292-L411 HydrophobicContact CG-CG 4.45Å; V295-L411 HydrophobicContact CB-CD2 3.94Å; V295-L411 HydrophobicContact CG1-CD2 3.95Å; V295-L411 HydrophobicContact CG2-CD2 4.21Å; F407-L411 WeakPolarHBondContact O-CB 3.19Å; F407-L411 WeakPolarHBondContact O-CG 3.38Å; F407-L411 PolarHBondContact O-N 2.92Å; F407-L411 VanDerWaalsContact O-N 3.15Å; L408-L411 CarbonylContact O-C 3.23Å; L408-L411 PolarHBondContact O-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.38Å; L411-V413 VanDerWaalsContact C-N 3.26Å; L411-V413 PolarHBondContact O-N 3.26Å
412	K	95.8	Very high	97.3	Very high	131 Å²	131	40.8 Å²	40.8	57%	0.57	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	41.6	171	-52.7	171.2	-172.8	164.2	0	112.2	R231 L408 Y409 D410	R231-K412 PolarHBondContact NH1-O 2.95Å; R231-K412 PolarHBondContact NH2-O 2.98Å; L408-K412 PolarHBondContact O-N 3.49Å; L408-K412 VanDerWaalsContact O-N 3.13Å; Y409-K412 PolarHBondContact O-N 3.26Å; D410-K412 VanDerWaalsContact C-N 3.35Å
413	V	96.4	Very high	97.3	Very high	10 Å²	10	39.8 Å²	39.8	6%	0.061	21%	0.208	C	C	.	.			trans	-68.4	146.5	172.9	174.8	0	0	0	0	109.5	F238 L356 L360 L408 L411	F238-V413 HydrophobicContact CD2-CG2 4.24Å; F238-V413 HydrophobicContact CE1-CG2 4.4Å; F238-V413 HydrophobicContact CE2-CG2 3.22Å; F238-V413 HydrophobicContact CZ-CG2 3.32Å; L356-V413 HydrophobicContact CD1-CG1 3.61Å; L360-V413 HydrophobicContact CD2-CG1 4Å; L408-V413 HydrophobicContact CB-CB 4.06Å; L408-V413 HydrophobicContact CB-CG2 4.24Å; L408-V413 HydrophobicContact CD2-CB 4.16Å; L408-V413 HydrophobicContact CD2-CG1 4.18Å; L408-V413 HydrophobicContact CD2-CG2 3.76Å; L408-V413 WeakPolarHBondContact O-CB 3.41Å; L408-V413 PolarHBondContact O-N 3.12Å; L411-V413 VanDerWaalsContact C-N 3.26Å; L411-V413 PolarHBondContact O-N 3.26Å
414	E	94.6	Very high	97.3	Very high	34 Å²	34	45 Å²	45	16%	0.159	23%	0.23	C	C	.	.			trans	-52.4	138.4	174.3	-68.3	72.3	-155.4	0	0	111.1	Y340 L356 G416 A419 V420	Y340-E414 HydrophobicContact CE2-CG 4.32Å; Y340-E414 PolarHBondContact OH-OE1 3.23Å; L356-E414 WeakPolarHBondContact CD1-OE2 3.33Å; L356-E414 WeakPolarHBondContact CD2-OE2 3.26Å; E414-G416 PolarHBondContact O-N 2.99Å; E414-A419 HydrophobicContact CB-CB 3.75Å; E414-A419 HydrophobicContact CG-CB 4.5Å; E414-V420 HydrophobicContact CB-CG1 3.87Å; E414-V420 HydrophobicContact CG-CG1 3.98Å
415	D	97.1	Very high	97.2	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.23	26%	0.264	C	S	.	.	S	Bend	trans	-74.7	77.1	-177.6	174.6	31	0	0	0	111.7	A419 K462 L463 Y464	D415-A419 HydrophobicContact CB-CB 4.48Å; D415-K462 WeakPolarHBondContact OD2-CD 3.21Å; D415-K462 IonicContact OD2-NZ 2.76Å; D415-K462 PolarHBondContact OD2-NZ 2.96Å; D415-L463 PolarHBondContact OD1-N 3.15Å; D415-Y464 HydrophobicContact CB-CD2 3.97Å; D415-Y464 HydrophobicContact CB-CE2 4.32Å; D415-Y464 PolarHBondContact OD1-N 2.92Å; D415-Y464 VanDerWaalsContact OD1-N 3.09Å
416	G	97.9	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	75.8	-177	175.4	0	0	0	0	0	114.8	E414 S418 A419 S460 L461	E414-G416 PolarHBondContact O-N 2.99Å; G416-S418 PolarHBondContact O-N 3.17Å; G416-A419 PolarHBondContact O-N 2.94Å; G416-S460 WeakPolarHBondContact CA-O 3.29Å; G416-L461 CarbonylContact C-O 3.51Å; G416-L461 WeakPolarHBondContact CA-O 3.43Å
417	L	98.4	Very high	97.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-29.6	-178.3	-64.2	169.3	0	0	0	112.4	I333 L360 A419 V420 G421 Y422 F457 S460 L461	I333-L417 HydrophobicContact CD1-CD2 3.61Å; I333-L417 HydrophobicContact CG1-CD2 3.89Å; I333-L417 HydrophobicContact CG2-CD2 4.06Å; L360-L417 HydrophobicContact CB-CD2 4.22Å; L360-L417 HydrophobicContact CD1-CD2 4.03Å; L417-A419 VanDerWaalsContact C-N 3.32Å; L417-A419 PolarHBondContact O-N 2.91Å; L417-V420 HydrophobicContact CD2-CG2 4.49Å; L417-V420 CarbonylContact O-C 3.42Å; L417-V420 VanDerWaalsContact O-CG2 3.24Å; L417-V420 WeakPolarHBondContact O-CG2 3.47Å; L417-V420 PolarHBondContact O-N 3.45Å; L417-G421 PolarHBondContact O-N 3.05Å; L417-Y422 HydrophobicContact CB-CD2 4.26Å; L417-Y422 HydrophobicContact CD2-CD2 4.23Å; L417-Y422 PolarHBondContact O-N 2.95Å; L417-F457 HydrophobicContact CD1-CD1 3.79Å; L417-S460 WeakPolarHBondContact CG-O 3.28Å; L417-S460 PolarHBondContact N-O 3.45Å; L417-L461 HydrophobicContact CB-CD2 4.27Å; L417-L461 PolarHBondContact N-O 3.16Å
418	S	97.9	Very high	97.3	Very high	49 Å²	49	46.9 Å²	46.9	34%	0.343	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-35.1	175.8	-66.5	0	0	0	0	113.4	G416 V420 G421 Y422 L461	G416-S418 PolarHBondContact O-N 3.17Å; S418-V420 PolarHBondContact O-N 3.45Å; S418-G421 PolarHBondContact O-N 3.44Å; S418-Y422 VanDerWaalsContact CA-O 3.27Å; S418-Y422 WeakPolarHBondContact CA-O 3.28Å; S418-Y422 PolarHBondContact OG-O 2.78Å; S418-L461 WeakPolarHBondContact CB-O 3.39Å; S418-L461 PolarHBondContact N-O 2.92Å; S418-L461 VanDerWaalsContact N-O 3.17Å; S418-L461 PolarHBondContact OG-O 3.21Å
419	A	97	Very high	97.2	Very high	45 Å²	45	50.5 Å²	50.5	37%	0.372	27%	0.271	S	S	.	.	H	α-helix	trans	-72.8	-19.3	177.9	0	0	0	0	0	113	E414 D415 G416 L417	E414-A419 HydrophobicContact CB-CB 3.75Å; E414-A419 HydrophobicContact CG-CB 4.5Å; D415-A419 HydrophobicContact CB-CB 4.48Å; G416-A419 PolarHBondContact O-N 2.94Å; L417-A419 VanDerWaalsContact C-N 3.32Å; L417-A419 PolarHBondContact O-N 2.91Å
420	V	96.8	Very high	97.1	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	14.6	172.5	-57.8	0	0	0	0	113.2	Y340 V352 L356 L360 E414 L417 S418 Y422	Y340-V420 WeakPolarHBondContact CB-O 3.43Å; Y340-V420 HydrophobicContact CD1-CB 4.3Å; Y340-V420 HydrophobicContact CD1-CG1 4.3Å; Y340-V420 HydrophobicContact CD2-CB 4.07Å; Y340-V420 HydrophobicContact CD2-CG1 4.17Å; Y340-V420 HydrophobicContact CE1-CG1 4.09Å; Y340-V420 HydrophobicContact CE2-CB 4.4Å; Y340-V420 HydrophobicContact CE2-CG1 3.99Å; Y340-V420 HydrophobicContact CG-CB 4.04Å; Y340-V420 HydrophobicContact CG-CG1 4.34Å; V352-V420 HydrophobicContact CG2-CB 4.41Å; L356-V420 HydrophobicContact CD2-CG1 4.15Å; L360-V420 HydrophobicContact CD1-CG1 4.14Å; L360-V420 HydrophobicContact CD1-CG2 3.8Å; E414-V420 HydrophobicContact CB-CG1 3.87Å; E414-V420 HydrophobicContact CG-CG1 3.98Å; L417-V420 HydrophobicContact CD2-CG2 4.49Å; L417-V420 CarbonylContact O-C 3.42Å; L417-V420 VanDerWaalsContact O-CG2 3.24Å; L417-V420 WeakPolarHBondContact O-CG2 3.47Å; L417-V420 PolarHBondContact O-N 3.45Å; S418-V420 PolarHBondContact O-N 3.45Å; V420-Y422 HydrophobicContact CG2-CD2 3.87Å; V420-Y422 HydrophobicContact CG2-CE2 4.11Å
421	G	96.6	Very high	97.1	Very high	35 Å²	35	41 Å²	41	36%	0.361	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	12.5	166.3	0	0	0	0	0	116.6	L417 S418	L417-G421 PolarHBondContact O-N 3.05Å; S418-G421 PolarHBondContact O-N 3.44Å
422	Y	97.9	Very high	97	Very high	6 Å²	6	47.6 Å²	47.6	2%	0.024	26%	0.255	C	S	.	.			trans	-94.2	143.6	173.2	-65.5	-74.3	0	0	0	112.7	I333 N336 V337 L417 S418 V420 D426 L430	I333-Y422 HydrophobicContact CG2-CE2 3.91Å; I333-Y422 PolarHBondContact O-OH 3.36Å; N336-Y422 HydrophobicContact CB-CE1 4.46Å; N336-Y422 PolarHBondContact O-OH 3.24Å; V337-Y422 VanDerWaalsContact CA-OH 3.28Å; V337-Y422 WeakPolarHBondContact CA-OH 3.47Å; V337-Y422 PolarHBondContact N-OH 3.17Å; V337-Y422 VanDerWaalsContact N-OH 3.14Å; L417-Y422 HydrophobicContact CB-CD2 4.26Å; L417-Y422 HydrophobicContact CD2-CD2 4.23Å; L417-Y422 PolarHBondContact O-N 2.95Å; S418-Y422 VanDerWaalsContact CA-O 3.27Å; S418-Y422 WeakPolarHBondContact CA-O 3.28Å; S418-Y422 PolarHBondContact OG-O 2.78Å; V420-Y422 HydrophobicContact CG2-CD2 3.87Å; V420-Y422 HydrophobicContact CG2-CE2 4.11Å; Y422-D426 WeakPolarHBondContact CA-OD2 3.38Å; Y422-D426 HydrophobicContact CD1-CB 3.85Å; Y422-L430 HydrophobicContact CD1-CD1 4.13Å; Y422-L430 HydrophobicContact CD1-CD2 4.33Å; Y422-L430 HydrophobicContact CE1-CD2 3.98Å; Y422-L430 HydrophobicContact CG-CD1 4.35Å
423	T	97.8	Very high	96.8	Very high	70 Å²	70	42 Å²	42	43%	0.429	24%	0.235	S	C	.	.			trans	-114.1	176	171.5	72.9	0	0	0	0	111	D425 D426	T423-D425 PolarHBondContact O-N 2.67Å; T423-D425 PolarHBondContact OG1-N 2.86Å; T423-D426 PolarHBondContact N-OD2 3.42Å; T423-D426 WeakPolarHBondContact O-CB 3.5Å; T423-D426 PolarHBondContact O-N 2.96Å; T423-D426 VanDerWaalsContact O-N 3.07Å
424	K	97.8	Very high	96.7	Very high	126 Å²	126	41.6 Å²	41.6	55%	0.548	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-57.1	-31.9	172.9	-171.8	170.1	179.8	143.9	0	112.3	D426 I427 E458 L461	K424-D426 PolarHBondContact O-N 3.19Å; K424-I427 HydrophobicContact CG-CD1 4.24Å; K424-I427 WeakPolarHBondContact O-CB 3.37Å; K424-I427 PolarHBondContact O-N 2.91Å; K424-E458 WeakPolarHBondContact CE-OE1 3.45Å; K424-E458 IonicContact NZ-OE1 3.27Å; K424-E458 PolarHBondContact NZ-OE1 3.31Å; K424-L461 HydrophobicContact CB-CD1 4.45Å
425	D	98.1	Very high	96.6	Very high	138 Å²	138	43.2 Å²	43.2	74%	0.738	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-68	-18.6	179.8	-59.6	-27.7	0	0	0	112.7	T423 P428	T423-D425 PolarHBondContact O-N 2.67Å; T423-D425 PolarHBondContact OG1-N 2.86Å; D425-P428 WeakPolarHBondContact O-CD 3.28Å
426	D	97.8	Very high	96.1	Very high	17 Å²	17	43.5 Å²	43.5	9%	0.091	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-85.1	-18	178.6	-65.4	-41.8	0	0	0	113.4	K338 Y422 T423 K424 D429 L430	K338-D426 IonicContact NZ-OD1 3.32Å; K338-D426 PolarHBondContact NZ-OD1 3.17Å; K338-D426 IonicContact NZ-OD2 3.44Å; K338-D426 PolarHBondContact NZ-OD2 3.14Å; K338-D426 VanDerWaalsContact NZ-OD2 3.13Å; Y422-D426 WeakPolarHBondContact CA-OD2 3.38Å; Y422-D426 HydrophobicContact CD1-CB 3.85Å; T423-D426 PolarHBondContact N-OD2 3.42Å; T423-D426 WeakPolarHBondContact O-CB 3.5Å; T423-D426 PolarHBondContact O-N 2.96Å; T423-D426 VanDerWaalsContact O-N 3.07Å; K424-D426 PolarHBondContact O-N 3.19Å; D426-D429 PolarHBondContact O-N 3.44Å; D426-L430 WeakPolarHBondContact O-CG 3.34Å; D426-L430 PolarHBondContact O-N 2.96Å
427	I	98.4	Very high	95.7	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-56.9	-43.3	-175.3	-63.7	180	0	0	0	112.6	K424 D429 L430 V431 T454 F457 E458 L461	K424-I427 HydrophobicContact CG-CD1 4.24Å; K424-I427 WeakPolarHBondContact O-CB 3.37Å; K424-I427 PolarHBondContact O-N 2.91Å; I427-D429 VanDerWaalsContact C-N 3.26Å; I427-D429 PolarHBondContact O-N 3.21Å; I427-L430 PolarHBondContact O-N 3.49Å; I427-L430 VanDerWaalsContact O-N 3.1Å; I427-V431 HydrophobicContact CG2-CG2 4.09Å; I427-V431 WeakPolarHBondContact O-CG2 3.41Å; I427-V431 PolarHBondContact O-N 3.49Å; I427-T454 HydrophobicContact CG2-CG2 3.95Å; I427-F457 HydrophobicContact CD1-CB 4.24Å; I427-F457 HydrophobicContact CG1-CB 4.1Å; I427-F457 HydrophobicContact CG2-CB 3.86Å; I427-F457 HydrophobicContact CG2-CD2 4.44Å; I427-F457 HydrophobicContact CG2-CG 4.5Å; I427-E458 HydrophobicContact CD1-CB 4.24Å; I427-E458 HydrophobicContact CD1-CG 3.38Å; I427-L461 HydrophobicContact CD1-CD1 4.17Å; I427-L461 HydrophobicContact CD1-CG 4.45Å
428	P	97.9	Very high	95.2	Very high	64 Å²	64	48.2 Å²	48.2	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-57.7	-36.9	176.7	-26.3	36.2	0	0	0	113.5	D425 R432	D425-P428 WeakPolarHBondContact O-CD 3.28Å; P428-R432 WeakPolarHBondContact O-CB 3.3Å; P428-R432 VanDerWaalsContact O-CG 3.31Å; P428-R432 WeakPolarHBondContact O-CG 3.3Å; P428-R432 PolarHBondContact O-N 3.5Å
429	D	95.4	Very high	94.6	Very high	76 Å²	76	48.3 Å²	48.3	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-72.1	-38.3	175.7	-82.8	-41.4	0	0	0	112.1	D426 I427 R432 G433	D426-D429 PolarHBondContact O-N 3.44Å; I427-D429 VanDerWaalsContact C-N 3.26Å; I427-D429 PolarHBondContact O-N 3.21Å; D429-R432 VanDerWaalsContact CG-NH2 3.25Å; D429-R432 PolarHBondContact O-N 3.39Å; D429-R432 IonicContact OD1-CZ 3.34Å; D429-R432 VanDerWaalsContact OD1-CZ 3.27Å; D429-R432 IonicContact OD1-NE 3.6Å; D429-R432 PolarHBondContact OD1-NE 3.07Å; D429-R432 IonicContact OD1-NH2 2.81Å; D429-R432 PolarHBondContact OD1-NH2 3.14Å; D429-R432 IonicContact OD2-NH2 3.12Å; D429-G433 PolarHBondContact O-N 3.02Å
430	L	96.6	Very high	94.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-42.1	176	-64.5	176.4	0	0	0	112	P332 I333 Y422 D426 I427 G433 T434 F457	P332-L430 HydrophobicContact CB-CD2 3.98Å; P332-L430 VanDerWaalsContact CG-O 3.26Å; P332-L430 WeakPolarHBondContact CG-O 3.49Å; I333-L430 HydrophobicContact CG1-CD2 4.22Å; Y422-L430 HydrophobicContact CD1-CD1 4.13Å; Y422-L430 HydrophobicContact CD1-CD2 4.33Å; Y422-L430 HydrophobicContact CE1-CD2 3.98Å; Y422-L430 HydrophobicContact CG-CD1 4.35Å; D426-L430 WeakPolarHBondContact O-CG 3.34Å; D426-L430 PolarHBondContact O-N 2.96Å; I427-L430 PolarHBondContact O-N 3.49Å; I427-L430 VanDerWaalsContact O-N 3.1Å; L430-G433 PolarHBondContact O-N 3.27Å; L430-T434 PolarHBondContact O-N 3.21Å; L430-T434 PolarHBondContact O-OG1 3.2Å; L430-F457 HydrophobicContact CB-CD1 4.13Å; L430-F457 HydrophobicContact CB-CD2 4.06Å; L430-F457 HydrophobicContact CB-CE1 3.8Å; L430-F457 HydrophobicContact CB-CE2 3.74Å; L430-F457 HydrophobicContact CB-CG 4.27Å; L430-F457 HydrophobicContact CB-CZ 3.61Å; L430-F457 HydrophobicContact CD1-CD1 3.84Å; L430-F457 HydrophobicContact CD1-CE1 3.98Å; L430-F457 HydrophobicContact CD1-CG 4.38Å; L430-F457 HydrophobicContact CG-CE1 4.39Å
431	V	97	Very high	94.2	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-49.5	174	173.7	0	0	0	0	110.4	I427 G433 T434 I435 E450 L453 F457	I427-V431 HydrophobicContact CG2-CG2 4.09Å; I427-V431 WeakPolarHBondContact O-CG2 3.41Å; I427-V431 PolarHBondContact O-N 3.49Å; V431-G433 PolarHBondContact O-N 3.13Å; V431-T434 WeakPolarHBondContact O-CB 3.27Å; V431-T434 PolarHBondContact O-N 3.08Å; V431-I435 HydrophobicContact CG1-CD1 4.13Å; V431-I435 WeakPolarHBondContact O-CG1 3.33Å; V431-I435 PolarHBondContact O-N 2.68Å; V431-I435 VanDerWaalsContact O-N 3.15Å; V431-E450 HydrophobicContact CG1-CB 4.08Å; V431-E450 HydrophobicContact CG1-CG 4.33Å; V431-L453 HydrophobicContact CG1-CB 4.21Å; V431-L453 HydrophobicContact CG1-CD1 4.3Å; V431-L453 HydrophobicContact CG2-CB 4.03Å; V431-F457 HydrophobicContact CG2-CD2 3.73Å; V431-F457 HydrophobicContact CG2-CE2 4.01Å
432	R	93.7	Very high	94.1	Very high	141 Å²	141	50.4 Å²	50.4	53%	0.532	25%	0.252	S	S	.	.	H	α-helix	trans	-55.5	-38.2	176.9	-81.5	-170.5	-69.1	-91.4	11.6	113.1	P428 D429 P436	P428-R432 WeakPolarHBondContact O-CB 3.3Å; P428-R432 VanDerWaalsContact O-CG 3.31Å; P428-R432 WeakPolarHBondContact O-CG 3.3Å; P428-R432 PolarHBondContact O-N 3.5Å; D429-R432 VanDerWaalsContact CG-NH2 3.25Å; D429-R432 PolarHBondContact O-N 3.39Å; D429-R432 IonicContact OD1-CZ 3.34Å; D429-R432 VanDerWaalsContact OD1-CZ 3.27Å; D429-R432 IonicContact OD1-NE 3.6Å; D429-R432 PolarHBondContact OD1-NE 3.07Å; D429-R432 IonicContact OD1-NH2 2.81Å; D429-R432 PolarHBondContact OD1-NH2 3.14Å; D429-R432 IonicContact OD2-NH2 3.12Å; R432-P436 WeakPolarHBondContact O-CD 3.4Å
433	G	91.6	Very high	94	Very high	14 Å²	14	50.4 Å²	50.4	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-78.9	-17.7	177.5	0	0	0	0	0	114.7	D429 L430 V431 Q437	D429-G433 PolarHBondContact O-N 3.02Å; L430-G433 PolarHBondContact O-N 3.27Å; V431-G433 PolarHBondContact O-N 3.13Å; G433-Q437 WeakPolarHBondContact O-CG 3.23Å; G433-Q437 PolarHBondContact O-NE2 2.82Å
434	T	94.1	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-80.9	-40.6	177	-57.9	0	0	0	0	111.7	M329 P332 L430 V431 P436 Q437 T441 L453 F457	M329-T434 HydrophobicContact CG-CG2 3.94Å; P332-T434 WeakPolarHBondContact CG-OG1 3.31Å; L430-T434 PolarHBondContact O-N 3.21Å; L430-T434 PolarHBondContact O-OG1 3.2Å; V431-T434 WeakPolarHBondContact O-CB 3.27Å; V431-T434 PolarHBondContact O-N 3.08Å; T434-P436 VanDerWaalsContact C-CD 3.5Å; T434-Q437 VanDerWaalsContact O-CB 3.27Å; T434-Q437 WeakPolarHBondContact O-CB 3.16Å; T434-Q437 WeakPolarHBondContact O-CG 3.15Å; T434-Q437 PolarHBondContact O-N 3.49Å; T434-T441 HydrophobicContact CG2-CG2 4.17Å; T434-L453 HydrophobicContact CG2-CD1 3.87Å; T434-L453 HydrophobicContact CG2-CD2 4.02Å; T434-F457 WeakPolarHBondContact OG1-CZ 3.41Å
435	I	91.9	Very high	93.9	Very high	69 Å²	69	42 Å²	42	35%	0.354	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-44.1	-175.1	-66.1	160.8	0	0	0	113.4	V431 Q437 E450 L453	V431-I435 HydrophobicContact CG1-CD1 4.13Å; V431-I435 WeakPolarHBondContact O-CG1 3.33Å; V431-I435 PolarHBondContact O-N 2.68Å; V431-I435 VanDerWaalsContact O-N 3.15Å; I435-Q437 PolarHBondContact O-N 3.01Å; I435-Q437 VanDerWaalsContact O-N 3.14Å; I435-E450 HydrophobicContact CD1-CG 3.76Å; I435-E450 WeakPolarHBondContact CD1-OE1 3.4Å; I435-E450 HydrophobicContact CG1-CG 4.46Å; I435-L453 HydrophobicContact CG1-CD1 4.32Å
436	P	88.3	Confident	93.8	Very high	49 Å²	49	39.5 Å²	39.5	32%	0.318	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.4	-179.4	-20.8	34.5	0	0	0	114.4	R432 T434 E438	R432-P436 WeakPolarHBondContact O-CD 3.4Å; T434-P436 VanDerWaalsContact C-CD 3.5Å; P436-E438 PolarHBondContact O-N 2.81Å
437	Q	88.6	Confident	93.7	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	23%	0.228	C	C	.	.			trans	-81.1	38.3	-175.7	-49.3	-54.2	-25.3	0	0	112.9	K205 Y331 G433 T434 I435 R439 V440 T441	K205-Q437 PolarHBondContact O-NE2 3.15Å; K205-Q437 PolarHBondContact O-OE1 3.37Å; Y331-Q437 VanDerWaalsContact CD2-CD 3.49Å; Y331-Q437 HydrophobicContact CD2-CG 4.02Å; Y331-Q437 VanDerWaalsContact CD2-OE1 3.22Å; Y331-Q437 HydrophobicContact CG-CG 4.49Å; G433-Q437 WeakPolarHBondContact O-CG 3.23Å; G433-Q437 PolarHBondContact O-NE2 2.82Å; T434-Q437 VanDerWaalsContact O-CB 3.27Å; T434-Q437 WeakPolarHBondContact O-CB 3.16Å; T434-Q437 WeakPolarHBondContact O-CG 3.15Å; T434-Q437 PolarHBondContact O-N 3.49Å; I435-Q437 PolarHBondContact O-N 3.01Å; I435-Q437 VanDerWaalsContact O-N 3.14Å; Q437-R439 PolarHBondContact O-N 3.23Å; Q437-V440 HydrophobicContact CB-CG2 4.05Å; Q437-V440 VanDerWaalsContact O-CG2 3.28Å; Q437-V440 WeakPolarHBondContact O-CG2 3.31Å; Q437-V440 PolarHBondContact O-N 3.43Å; Q437-T441 HydrophobicContact CB-CG2 4.23Å; Q437-T441 PolarHBondContact O-N 2.88Å; Q437-T441 PolarHBondContact O-OG1 3.05Å
438	E	87.1	Confident	93.6	Very high	90 Å²	90	49.6 Å²	49.6	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-54.7	-29.4	-173.1	-67.7	-161.8	135.9	0	0	113.8	P436 V440 T441 K442	P436-E438 PolarHBondContact O-N 2.81Å; E438-V440 PolarHBondContact O-N 3.44Å; E438-T441 WeakPolarHBondContact CA-OG1 3.39Å; E438-K442 HydrophobicContact CB-CD 4.04Å; E438-K442 HydrophobicContact CB-CG 4.28Å; E438-K442 VanDerWaalsContact CD-CE 3.41Å; E438-K442 WeakPolarHBondContact O-CB 3.45Å; E438-K442 VanDerWaalsContact O-CG 3.29Å; E438-K442 WeakPolarHBondContact O-CG 3.42Å; E438-K442 PolarHBondContact O-N 3.25Å; E438-K442 VanDerWaalsContact O-N 3.15Å; E438-K442 VanDerWaalsContact OE1-CE 3.28Å; E438-K442 WeakPolarHBondContact OE1-CE 3.48Å; E438-K442 IonicContact OE1-NZ 3.78Å; E438-K442 PolarHBondContact OE1-NZ 3.25Å; E438-K442 WeakPolarHBondContact OE2-CE 3.17Å; E438-K442 IonicContact OE2-NZ 3.98Å; E438-K442 PolarHBondContact OE2-NZ 2.71Å
439	R	86.3	Confident	93.6	Very high	51 Å²	51	50.1 Å²	50.1	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-37.2	177	-178.4	-173.5	66.8	90.7	2.5	112.5	N162 Y269 Y331 Q437	N162-R439 WeakPolarHBondContact ND2-CD 3.46Å; Y269-R439 PolarHBondContact OH-NH1 3.42Å; Y331-R439 PolarHBondContact OH-NH2 3.43Å; Q437-R439 PolarHBondContact O-N 3.23Å
440	V	91.6	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-104.6	-42.5	-179.7	-63.4	0	0	0	0	110.9	Y269 V323 H324 G328 Q437 E438 K442 L443	Y269-V440 HydrophobicContact CE2-CG1 4.26Å; V323-V440 HydrophobicContact CG2-CB 4.25Å; V323-V440 HydrophobicContact CG2-CG1 3.69Å; H324-V440 WeakPolarHBondContact CA-O 3.43Å; G328-V440 VanDerWaalsContact CA-CG2 3.45Å; Q437-V440 HydrophobicContact CB-CG2 4.05Å; Q437-V440 VanDerWaalsContact O-CG2 3.28Å; Q437-V440 WeakPolarHBondContact O-CG2 3.31Å; Q437-V440 PolarHBondContact O-N 3.43Å; E438-V440 PolarHBondContact O-N 3.44Å; V440-K442 VanDerWaalsContact C-N 3.29Å; V440-K442 PolarHBondContact O-N 2.73Å; V440-L443 WeakPolarHBondContact O-CB 3.42Å; V440-L443 PolarHBondContact O-N 2.79Å
441	T	93.9	Very high	93.8	Very high	7 Å²	7	59 Å²	59	4%	0.043	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-29.2	-174.9	60.9	0	0	0	0	113.2	L325 T434 Q437 E438 L443 S444 H448	L325-T441 HydrophobicContact CD2-CG2 4.26Å; T434-T441 HydrophobicContact CG2-CG2 4.17Å; Q437-T441 HydrophobicContact CB-CG2 4.23Å; Q437-T441 PolarHBondContact O-N 2.88Å; Q437-T441 PolarHBondContact O-OG1 3.05Å; E438-T441 WeakPolarHBondContact CA-OG1 3.39Å; T441-L443 PolarHBondContact O-N 2.72Å; T441-S444 VanDerWaalsContact O-CB 3.24Å; T441-S444 WeakPolarHBondContact O-CB 3.04Å; T441-S444 PolarHBondContact O-N 3.37Å; T441-S444 VanDerWaalsContact O-N 3.12Å; T441-H448 PolarHBondContact O-CE1 2.86Å
442	K	93.4	Very high	93.9	Very high	122 Å²	122	60.6 Å²	60.6	53%	0.53	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.9	173.3	-71.2	-179.4	171.1	165	0	114.2	E438 V440 S444	E438-K442 HydrophobicContact CB-CD 4.04Å; E438-K442 HydrophobicContact CB-CG 4.28Å; E438-K442 VanDerWaalsContact CD-CE 3.41Å; E438-K442 WeakPolarHBondContact O-CB 3.45Å; E438-K442 VanDerWaalsContact O-CG 3.29Å; E438-K442 WeakPolarHBondContact O-CG 3.42Å; E438-K442 PolarHBondContact O-N 3.25Å; E438-K442 VanDerWaalsContact O-N 3.15Å; E438-K442 VanDerWaalsContact OE1-CE 3.28Å; E438-K442 WeakPolarHBondContact OE1-CE 3.48Å; E438-K442 IonicContact OE1-NZ 3.78Å; E438-K442 PolarHBondContact OE1-NZ 3.25Å; E438-K442 WeakPolarHBondContact OE2-CE 3.17Å; E438-K442 IonicContact OE2-NZ 3.98Å; E438-K442 PolarHBondContact OE2-NZ 2.71Å; V440-K442 VanDerWaalsContact C-N 3.29Å; V440-K442 PolarHBondContact O-N 2.73Å; K442-S444 VanDerWaalsContact C-N 3.33Å
443	L	96.4	Very high	94.1	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.3	174.3	-61.7	173.6	0	0	0	112.4	A250 L251 Y269 H324 V440 T441	A250-L443 WeakPolarHBondContact CA-O 3.15Å; L251-L443 PolarHBondContact N-O 3.08Å; Y269-L443 HydrophobicContact CD2-CD1 4.03Å; Y269-L443 HydrophobicContact CG-CD1 4.27Å; H324-L443 HydrophobicContact CB-CB 4.45Å; V440-L443 WeakPolarHBondContact O-CB 3.42Å; V440-L443 PolarHBondContact O-N 2.79Å; T441-L443 PolarHBondContact O-N 2.72Å
444	S	97.5	Very high	94.4	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.049	27%	0.268	C	S	.	.			trans	-57.3	130.8	167.2	-176.8	0	0	0	0	109.3	T441 K442 R446	T441-S444 VanDerWaalsContact O-CB 3.24Å; T441-S444 WeakPolarHBondContact O-CB 3.04Å; T441-S444 PolarHBondContact O-N 3.37Å; T441-S444 VanDerWaalsContact O-N 3.12Å; K442-S444 VanDerWaalsContact C-N 3.33Å; S444-R446 VanDerWaalsContact CB-O 3.28Å; S444-R446 WeakPolarHBondContact CB-O 3.34Å; S444-R446 PolarHBondContact O-N 3.16Å; S444-R446 PolarHBondContact OG-N 3.16Å; S444-R446 PolarHBondContact OG-O 3.08Å
445	P	96.6	Very high	94.7	Very high	12 Å²	12	58.9 Å²	58.9	8%	0.078	29%	0.287	C	S	.	.	S	Bend	trans	-66.5	-18.8	175.6	32.6	-39.9	0	0	0	111.8	T249 T369 M372	T249-P445 WeakPolarHBondContact O-CB 3.45Å; T249-P445 WeakPolarHBondContact O-CD 3.31Å; T249-P445 WeakPolarHBondContact O-CG 3.38Å; T369-P445 HydrophobicContact CG2-CG 4.07Å; M372-P445 HydrophobicContact CB-CB 3.86Å; M372-P445 HydrophobicContact CB-CG 4.31Å; M372-P445 WeakPolarHBondContact CE-O 3.23Å; M372-P445 HydrophobicContact CG-CB 4.35Å; M372-P445 WeakPolarHBondContact CG-O 3.46Å
446	R	96.4	Very high	95	Very high	86 Å²	86	56 Å²	56	33%	0.325	27%	0.273	S	S	.	.	S	Bend	trans	-115.2	128.5	177.6	-169.7	175.8	166.5	178.4	-5.2	110	F368 M372 S444	F368-R446 HydrophobicContact CD1-CB 4.48Å; F368-R446 HydrophobicContact CE1-CB 3.92Å; F368-R446 HydrophobicContact CE1-CG 3.83Å; F368-R446 VanDerWaalsContact CE2-NE 3.31Å; F368-R446 HydrophobicContact CZ-CB 4.44Å; F368-R446 HydrophobicContact CZ-CG 3.85Å; F368-R446 WeakPolarHBondContact O-CD 3.44Å; F368-R446 PolarHBondContact O-NH1 2.8Å; M372-R446 HydrophobicContact CG-CB 3.66Å; M372-R446 HydrophobicContact CG-CG 4.17Å; S444-R446 VanDerWaalsContact CB-O 3.28Å; S444-R446 WeakPolarHBondContact CB-O 3.34Å; S444-R446 PolarHBondContact O-N 3.16Å; S444-R446 PolarHBondContact OG-N 3.16Å; S444-R446 PolarHBondContact OG-O 3.08Å
447	E	95.1	Very high	95.5	Very high	184 Å²	184	53.7 Å²	53.7	86%	0.86	26%	0.258	S	S	*	.			trans	-61.5	150.1	169.9	-66.3	-173.4	165.5	0	0	110.6
448	H	96.4	Very high	96	Very high	50 Å²	50	56.5 Å²	56.5	23%	0.231	27%	0.271	C	S	.	.			trans	-138.6	145.5	-175.1	56.4	-77.3	0	0	0	110.3	F368 T441 D452	F368-H448 HydrophobicContact CE1-CB 4.29Å; F368-H448 HydrophobicContact CZ-CB 4.14Å; T441-H448 PolarHBondContact O-CE1 2.86Å; H448-D452 HydrophobicContact CB-CB 4.12Å
449	T	97.4	Very high	96.5	Very high	75 Å²	75	55 Å²	55	46%	0.46	27%	0.273	S	S	.	.			trans	-101.9	171.5	172.6	62.9	0	0	0	0	110.6	E451 D452 L453	T449-E451 PolarHBondContact O-N 3.47Å; T449-E451 PolarHBondContact OG1-N 2.99Å; T449-D452 WeakPolarHBondContact CB-OD2 3.44Å; T449-D452 PolarHBondContact N-OD2 3.03Å; T449-D452 PolarHBondContact O-N 3.19Å; T449-D452 VanDerWaalsContact OG1-CG 3.27Å; T449-D452 PolarHBondContact OG1-N 3.02Å; T449-D452 VanDerWaalsContact OG1-N 3.08Å; T449-D452 PolarHBondContact OG1-OD2 3.48Å; T449-L453 WeakPolarHBondContact O-CG 3.45Å; T449-L453 PolarHBondContact O-N 3.39Å
450	E	97.8	Very high	97.1	Very high	125 Å²	125	52.5 Å²	52.5	58%	0.584	26%	0.264	S	S	*	.	H	α-helix	trans	-60.3	-32.9	170.3	-62.1	-170.1	-171.5	0	0	112.1	V431 I435 L453 T454	V431-E450 HydrophobicContact CG1-CB 4.08Å; V431-E450 HydrophobicContact CG1-CG 4.33Å; I435-E450 HydrophobicContact CD1-CG 3.76Å; I435-E450 WeakPolarHBondContact CD1-OE1 3.4Å; I435-E450 HydrophobicContact CG1-CG 4.46Å; E450-L453 PolarHBondContact O-N 3.28Å; E450-T454 WeakPolarHBondContact O-CB 3.28Å; E450-T454 PolarHBondContact O-N 2.86Å; E450-T454 PolarHBondContact O-OG1 3.26Å
451	E	98.4	Very high	97.4	Very high	139 Å²	139	53.9 Å²	53.9	65%	0.65	27%	0.271	S	S	*	.	H	α-helix	trans	-66.8	-43.5	175.2	-174.2	178	179	0	0	111.1	T449 L453 T454 N455	T449-E451 PolarHBondContact O-N 3.47Å; T449-E451 PolarHBondContact OG1-N 2.99Å; E451-L453 VanDerWaalsContact C-N 3.35Å; E451-L453 PolarHBondContact O-N 3.45Å; E451-T454 WeakPolarHBondContact O-CB 3.34Å; E451-T454 PolarHBondContact O-N 2.81Å; E451-N455 VanDerWaalsContact O-CG 3.26Å; E451-N455 PolarHBondContact O-N 2.67Å; E451-N455 PolarHBondContact O-ND2 2.79Å
452	D	98.6	Very high	97.6	Very high	37 Å²	37	59 Å²	59	20%	0.198	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-46.6	174.2	-64.5	-58.8	0	0	0	111.1	F368 H448 T449 T454 N455 L456	F368-D452 HydrophobicContact CE2-CB 3.94Å; F368-D452 WeakPolarHBondContact CE2-OD1 3.25Å; F368-D452 HydrophobicContact CZ-CB 4.04Å; H448-D452 HydrophobicContact CB-CB 4.12Å; T449-D452 WeakPolarHBondContact CB-OD2 3.44Å; T449-D452 PolarHBondContact N-OD2 3.03Å; T449-D452 PolarHBondContact O-N 3.19Å; T449-D452 VanDerWaalsContact OG1-CG 3.27Å; T449-D452 PolarHBondContact OG1-N 3.02Å; T449-D452 VanDerWaalsContact OG1-N 3.08Å; T449-D452 PolarHBondContact OG1-OD2 3.48Å; D452-T454 VanDerWaalsContact C-N 3.32Å; D452-T454 PolarHBondContact O-N 2.63Å; D452-N455 PolarHBondContact O-N 3.14Å; D452-L456 VanDerWaalsContact O-CG 3.26Å; D452-L456 WeakPolarHBondContact O-CG 3.5Å; D452-L456 PolarHBondContact O-N 3.04Å
453	L	98.6	Very high	97.7	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-40.4	176.9	-66.6	178.3	0	0	0	111.9	L325 M329 V431 T434 I435 T449 E450 E451 L456 F457	L325-L453 HydrophobicContact CD2-CD2 4.4Å; M329-L453 HydrophobicContact CG-CD2 4.38Å; M329-L453 HydrophobicContact SD-CD2 4.43Å; V431-L453 HydrophobicContact CG1-CB 4.21Å; V431-L453 HydrophobicContact CG1-CD1 4.3Å; V431-L453 HydrophobicContact CG2-CB 4.03Å; T434-L453 HydrophobicContact CG2-CD1 3.87Å; T434-L453 HydrophobicContact CG2-CD2 4.02Å; I435-L453 HydrophobicContact CG1-CD1 4.32Å; T449-L453 WeakPolarHBondContact O-CG 3.45Å; T449-L453 PolarHBondContact O-N 3.39Å; E450-L453 PolarHBondContact O-N 3.28Å; E451-L453 VanDerWaalsContact C-N 3.35Å; E451-L453 PolarHBondContact O-N 3.45Å; L453-L456 HydrophobicContact CD2-CD1 4.43Å; L453-L456 PolarHBondContact O-N 2.88Å; L453-F457 WeakPolarHBondContact O-CD2 3.27Å; L453-F457 PolarHBondContact O-N 2.89Å
454	T	98.8	Very high	97.6	Very high	43 Å²	43	59.5 Å²	59.5	26%	0.264	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-50.3	175.2	-60.7	0	0	0	0	110.4	I427 E450 E451 D452 L456 F457 E458	I427-T454 HydrophobicContact CG2-CG2 3.95Å; E450-T454 WeakPolarHBondContact O-CB 3.28Å; E450-T454 PolarHBondContact O-N 2.86Å; E450-T454 PolarHBondContact O-OG1 3.26Å; E451-T454 WeakPolarHBondContact O-CB 3.34Å; E451-T454 PolarHBondContact O-N 2.81Å; D452-T454 VanDerWaalsContact C-N 3.32Å; D452-T454 PolarHBondContact O-N 2.63Å; T454-L456 VanDerWaalsContact C-N 3.31Å; T454-L456 PolarHBondContact O-N 3.22Å; T454-F457 PolarHBondContact O-N 3.19Å; T454-E458 HydrophobicContact CG2-CG 4.49Å; T454-E458 WeakPolarHBondContact O-CG 3.38Å; T454-E458 PolarHBondContact O-N 2.94Å
455	N	98.8	Very high	97.6	Very high	76 Å²	76	62.2 Å²	62.2	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-38.8	179	-67.8	-27.8	0	0	0	112	E451 D452 E458 A459	E451-N455 VanDerWaalsContact O-CG 3.26Å; E451-N455 PolarHBondContact O-N 2.67Å; E451-N455 PolarHBondContact O-ND2 2.79Å; D452-N455 PolarHBondContact O-N 3.14Å; N455-E458 PolarHBondContact O-N 3.49Å; N455-A459 VanDerWaalsContact O-CB 3.25Å; N455-A459 WeakPolarHBondContact O-CB 3.34Å; N455-A459 PolarHBondContact O-N 3.14Å
456	L	98.8	Very high	97.7	Very high	9 Å²	9	64.8 Å²	64.8	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-43.1	175.7	-70.4	173	0	0	0	112	L325 M329 A364 V365 F368 D452 L453 T454 S460	L325-L456 HydrophobicContact CD1-CD1 4.22Å; M329-L456 HydrophobicContact CE-CB 3.56Å; M329-L456 HydrophobicContact SD-CB 4.06Å; M329-L456 HydrophobicContact SD-CD1 4.02Å; A364-L456 VanDerWaalsContact C-CD2 3.47Å; A364-L456 HydrophobicContact CB-CD2 3.85Å; A364-L456 VanDerWaalsContact O-CD2 3.29Å; A364-L456 WeakPolarHBondContact O-CD2 3.35Å; V365-L456 HydrophobicContact CG2-CD1 4.4Å; F368-L456 HydrophobicContact CB-CD2 3.78Å; F368-L456 HydrophobicContact CD1-CD1 4.41Å; F368-L456 HydrophobicContact CG-CD2 4.26Å; D452-L456 VanDerWaalsContact O-CG 3.26Å; D452-L456 WeakPolarHBondContact O-CG 3.5Å; D452-L456 PolarHBondContact O-N 3.04Å; L453-L456 HydrophobicContact CD2-CD1 4.43Å; L453-L456 PolarHBondContact O-N 2.88Å; T454-L456 VanDerWaalsContact C-N 3.31Å; T454-L456 PolarHBondContact O-N 3.22Å; L456-S460 WeakPolarHBondContact O-CB 3.28Å; L456-S460 PolarHBondContact O-N 2.86Å; L456-S460 VanDerWaalsContact O-N 3.16Å; L456-S460 PolarHBondContact O-OG 2.93Å
457	F	98.8	Very high	97.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-42.8	175.1	-79	-62.3	0	0	0	112.1	M329 P332 I333 T361 L417 I427 L430 V431 T434 L453 T454 A459 S460 L461	M329-F457 HydrophobicContact CB-CE1 4.04Å; M329-F457 HydrophobicContact CB-CZ 3.78Å; M329-F457 HydrophobicContact CE-CB 4.49Å; M329-F457 HydrophobicContact CE-CD1 3.57Å; M329-F457 HydrophobicContact CE-CD2 3.71Å; M329-F457 HydrophobicContact CE-CE1 3.53Å; M329-F457 HydrophobicContact CE-CE2 3.66Å; M329-F457 HydrophobicContact CE-CG 3.65Å; M329-F457 HydrophobicContact CE-CZ 3.56Å; M329-F457 HydrophobicContact CG-CE1 4.46Å; M329-F457 HydrophobicContact CG-CE2 4.34Å; M329-F457 HydrophobicContact CG-CZ 3.91Å; P332-F457 HydrophobicContact CG-CZ 4.44Å; I333-F457 HydrophobicContact CD1-CE1 3.94Å; I333-F457 HydrophobicContact CG1-CE1 4.02Å; T361-F457 HydrophobicContact CG2-CE1 4.45Å; L417-F457 HydrophobicContact CD1-CD1 3.79Å; I427-F457 HydrophobicContact CD1-CB 4.24Å; I427-F457 HydrophobicContact CG1-CB 4.1Å; I427-F457 HydrophobicContact CG2-CB 3.86Å; I427-F457 HydrophobicContact CG2-CD2 4.44Å; I427-F457 HydrophobicContact CG2-CG 4.5Å; L430-F457 HydrophobicContact CB-CD1 4.13Å; L430-F457 HydrophobicContact CB-CD2 4.06Å; L430-F457 HydrophobicContact CB-CE1 3.8Å; L430-F457 HydrophobicContact CB-CE2 3.74Å; L430-F457 HydrophobicContact CB-CG 4.27Å; L430-F457 HydrophobicContact CB-CZ 3.61Å; L430-F457 HydrophobicContact CD1-CD1 3.84Å; L430-F457 HydrophobicContact CD1-CE1 3.98Å; L430-F457 HydrophobicContact CD1-CG 4.38Å; L430-F457 HydrophobicContact CG-CE1 4.39Å; V431-F457 HydrophobicContact CG2-CD2 3.73Å; V431-F457 HydrophobicContact CG2-CE2 4.01Å; T434-F457 WeakPolarHBondContact OG1-CZ 3.41Å; L453-F457 WeakPolarHBondContact O-CD2 3.27Å; L453-F457 PolarHBondContact O-N 2.89Å; T454-F457 PolarHBondContact O-N 3.19Å; F457-A459 VanDerWaalsContact C-N 3.35Å; F457-A459 PolarHBondContact O-N 3.02Å; F457-S460 CarbonylContact O-C 3.31Å; F457-S460 WeakPolarHBondContact O-CA 3.39Å; F457-S460 PolarHBondContact O-N 3.37Å; F457-L461 PolarHBondContact O-N 3.28Å; F457-L461 VanDerWaalsContact O-N 3.15Å
458	E	98.7	Very high	97.9	Very high	67 Å²	67	56.5 Å²	56.5	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-46.2	176	-74.5	-168.2	160.3	0	0	111.3	K424 I427 T454 N455 S460 L461	K424-E458 WeakPolarHBondContact CE-OE1 3.45Å; K424-E458 IonicContact NZ-OE1 3.27Å; K424-E458 PolarHBondContact NZ-OE1 3.31Å; I427-E458 HydrophobicContact CD1-CB 4.24Å; I427-E458 HydrophobicContact CD1-CG 3.38Å; T454-E458 HydrophobicContact CG2-CG 4.49Å; T454-E458 WeakPolarHBondContact O-CG 3.38Å; T454-E458 PolarHBondContact O-N 2.94Å; N455-E458 PolarHBondContact O-N 3.49Å; E458-S460 PolarHBondContact O-N 3.25Å; E458-L461 WeakPolarHBondContact O-CB 3.36Å; E458-L461 PolarHBondContact O-N 3.33Å
459	A	98.6	Very high	98	Very high	58 Å²	58	56.9 Å²	56.9	48%	0.479	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.2	176	0	0	0	0	0	113.7	A364 N455 F457	A364-A459 HydrophobicContact CB-CB 3.94Å; N455-A459 VanDerWaalsContact O-CB 3.25Å; N455-A459 WeakPolarHBondContact O-CB 3.34Å; N455-A459 PolarHBondContact O-N 3.14Å; F457-A459 VanDerWaalsContact C-N 3.35Å; F457-A459 PolarHBondContact O-N 3.02Å
460	S	98.6	Very high	98	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.8	178.8	-53.2	0	0	0	0	113	T361 G416 L417 L456 F457 E458 K462	T361-S460 WeakPolarHBondContact CA-OG 3.25Å; G416-S460 WeakPolarHBondContact CA-O 3.29Å; L417-S460 WeakPolarHBondContact CG-O 3.28Å; L417-S460 PolarHBondContact N-O 3.45Å; L456-S460 WeakPolarHBondContact O-CB 3.28Å; L456-S460 PolarHBondContact O-N 2.86Å; L456-S460 VanDerWaalsContact O-N 3.16Å; L456-S460 PolarHBondContact O-OG 2.93Å; F457-S460 CarbonylContact O-C 3.31Å; F457-S460 WeakPolarHBondContact O-CA 3.39Å; F457-S460 PolarHBondContact O-N 3.37Å; E458-S460 PolarHBondContact O-N 3.25Å; S460-K462 PolarHBondContact O-N 3.48Å
461	L	98.5	Very high	98	Very high	29 Å²	29	50.8 Å²	50.8	15%	0.152	26%	0.255	C	S	.	.	S	Bend	trans	-60.4	-32.5	173.8	-73.8	174.6	0	0	0	111.8	G416 L417 S418 K424 I427 F457 E458	G416-L461 CarbonylContact C-O 3.51Å; G416-L461 WeakPolarHBondContact CA-O 3.43Å; L417-L461 HydrophobicContact CB-CD2 4.27Å; L417-L461 PolarHBondContact N-O 3.16Å; S418-L461 WeakPolarHBondContact CB-O 3.39Å; S418-L461 PolarHBondContact N-O 2.92Å; S418-L461 VanDerWaalsContact N-O 3.17Å; S418-L461 PolarHBondContact OG-O 3.21Å; K424-L461 HydrophobicContact CB-CD1 4.45Å; I427-L461 HydrophobicContact CD1-CD1 4.17Å; I427-L461 HydrophobicContact CD1-CG 4.45Å; F457-L461 PolarHBondContact O-N 3.28Å; F457-L461 VanDerWaalsContact O-N 3.15Å; E458-L461 WeakPolarHBondContact O-CB 3.36Å; E458-L461 PolarHBondContact O-N 3.33Å
462	K	98	Very high	98	Very high	115 Å²	115	44 Å²	44	50%	0.5	22%	0.224	S	C	.	.			trans	-136.2	139.8	178	-72.2	-62.2	-170.7	178.8	0	110.8	D415 S460	D415-K462 WeakPolarHBondContact OD2-CD 3.21Å; D415-K462 IonicContact OD2-NZ 2.76Å; D415-K462 PolarHBondContact OD2-NZ 2.96Å; S460-K462 PolarHBondContact O-N 3.48Å
463	L	95.9	Very high	98	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	23%	0.226	C	C	.	.			trans	-108.3	-32.5	-178.2	-73.5	177.8	0	0	0	113.1	L360 P363 R405 L408 D415	L360-L463 HydrophobicContact CD2-CD1 3.83Å; P363-L463 HydrophobicContact CG-CD2 3.99Å; R405-L463 WeakPolarHBondContact CD-O 3.41Å; R405-L463 PolarHBondContact NE-O 2.98Å; L408-L463 HydrophobicContact CD1-CD1 3.86Å; D415-L463 PolarHBondContact OD1-N 3.15Å
464	Y	93.8	Very high	97.9	Very high	128 Å²	128	48.5 Å²	48.5	50%	0.502	25%	0.246	S	C	.	.			trans	-120.7	0	-175.8	-42.4	-63.4	0	0	0	113.5	R405 L408 Y409 D415	R405-Y464 HydrophobicContact CB-CE1 4.31Å; R405-Y464 WeakPolarHBondContact O-CE1 3.46Å; L408-Y464 WeakPolarHBondContact CA-OH 3.29Å; L408-Y464 HydrophobicContact CB-CE1 4.42Å; L408-Y464 WeakPolarHBondContact CB-OH 3.46Å; L408-Y464 PolarHBondContact O-OH 2.84Å; Y409-Y464 WeakPolarHBondContact CA-OH 3.5Å; Y409-Y464 HydrophobicContact CD2-CD1 4.19Å; Y409-Y464 HydrophobicContact CD2-CD2 4.45Å; Y409-Y464 HydrophobicContact CD2-CE1 4.27Å; Y409-Y464 HydrophobicContact CD2-CG 4.29Å; Y409-Y464 HydrophobicContact CG-CE1 4.48Å; Y409-Y464 PolarHBondContact N-OH 3.28Å; D415-Y464 HydrophobicContact CB-CD2 3.97Å; D415-Y464 HydrophobicContact CB-CE2 4.32Å; D415-Y464 PolarHBondContact OD1-N 2.92Å; D415-Y464 VanDerWaalsContact OD1-N 3.09Å

Retrieved 464 of 464 residues in 3610 ms (Link to these results)

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