A0A044PYE0_XENTR Loading...

Metalloprotease TIKI

Metalloprotease that acts as a negative regulator of the Wnt signaling pathway by mediating the cleavage of the N-terminal residues of a subset of Wnt proteins. Following cleavage, Wnt proteins become oxidized and form large disulfide-bond oligomers, leading to their inactivation.

AlphaFold DB , UniProt , Accession A0A044PYE0, Species XENTR (Xenopus tropicalis, Western clawed frog), Gene trabd2b, Length 509 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	49.4	Very low	55.1	Low	197 Å²	197	127.5 Å²	127.5	97%	0.97	63%	0.634	S	S	*	*				0	-35.1	0	-123.8	175.6	77	0	0	113.9
2	M	49.2	Very low	56.2	Low	164 Å²	164	121.1 Å²	121.1	81%	0.808	62%	0.615	S	S	*	*	H	α-helix	trans	-71	-28.8	-178.1	-69.5	-176.5	80.2	0	0	115.7	I5 W6	M2-I5 PolarHBondContact O-N 3.47Å; M2-W6 PolarHBondContact O-N 3.01Å
3	V	53.2	Low	57.3	Low	107 Å²	107	121.5 Å²	121.5	65%	0.648	61%	0.611	S	S	*	*	H	α-helix	trans	-73	-28.6	-178.4	-179.8	0	0	0	0	112.9	N7	V3-N7 PolarHBondContact O-N 2.67Å; V3-N7 PolarHBondContact O-ND2 3.25Å
4	I	54.9	Low	58.1	Low	119 Å²	119	120.4 Å²	120.4	61%	0.61	61%	0.606	S	S	*	*	H	α-helix	trans	-76	-35	178.7	-61.4	173.1	0	0	0	110.4	I8	I4-I8 HydrophobicContact CG2-CD1 4.18Å; I4-I8 WeakPolarHBondContact O-CG1 3.33Å; I4-I8 PolarHBondContact O-N 2.98Å
5	I	55.1	Low	58.5	Low	85 Å²	85	119.1 Å²	119.1	44%	0.436	60%	0.602	S	S	.	*	H	α-helix	trans	-66.6	-42.2	177	-61.4	170.9	0	0	0	109.8	M2 I8 F9	M2-I5 PolarHBondContact O-N 3.47Å; I5-I8 PolarHBondContact O-N 3.44Å; I5-F9 HydrophobicContact CG2-CD2 3.79Å; I5-F9 HydrophobicContact CG2-CE2 3.97Å; I5-F9 WeakPolarHBondContact O-CB 2.99Å; I5-F9 VanDerWaalsContact O-CD2 3.25Å; I5-F9 WeakPolarHBondContact O-CD2 3.5Å; I5-F9 PolarHBondContact O-N 3.27Å; I5-F9 VanDerWaalsContact O-N 3.16Å
6	W	48.8	Very low	59	Low	198 Å²	198	117.4 Å²	117.4	75%	0.75	60%	0.599	S	S	*	*	H	α-helix	trans	-67.1	-37.8	178.3	-103.6	40.4	0	0	0	114.2	M2 I8 L10	M2-W6 PolarHBondContact O-N 3.01Å; W6-I8 VanDerWaalsContact C-N 3.27Å; W6-I8 PolarHBondContact O-N 3.36Å; W6-L10 WeakPolarHBondContact O-CB 3.43Å; W6-L10 PolarHBondContact O-N 3.38Å
7	N	52.1	Low	59.2	Low	116 Å²	116	115.6 Å²	115.6	62%	0.62	59%	0.59	S	S	*	*	H	α-helix	trans	-71.9	-16.3	-178.9	-81.5	-59.2	0	0	0	114.5	V3 P11	V3-N7 PolarHBondContact O-N 2.67Å; V3-N7 PolarHBondContact O-ND2 3.25Å; N7-P11 WeakPolarHBondContact O-CD 3.49Å; N7-P11 VanDerWaalsContact O-CG 3.22Å; N7-P11 WeakPolarHBondContact O-CG 3.17Å
8	I	61.8	Low	59	Low	109 Å²	109	112 Å²	112	56%	0.559	58%	0.581	S	S	*	*	H	α-helix	trans	-97.6	-37.9	176.8	-61.6	172.1	0	0	0	110.9	I4 I5 W6 P11 A12	I4-I8 HydrophobicContact CG2-CD1 4.18Å; I4-I8 WeakPolarHBondContact O-CG1 3.33Å; I4-I8 PolarHBondContact O-N 2.98Å; I5-I8 PolarHBondContact O-N 3.44Å; W6-I8 VanDerWaalsContact C-N 3.27Å; W6-I8 PolarHBondContact O-N 3.36Å; I8-P11 WeakPolarHBondContact O-CD 3.43Å; I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 3.03Å
9	F	58	Low	58.6	Low	145 Å²	145	113.7 Å²	113.7	64%	0.636	58%	0.583	S	S	*	*	H	α-helix	trans	-74.9	-34.5	-176.8	-87.6	-92.5	0	0	0	113.5	I5 A12 F13	I5-F9 HydrophobicContact CG2-CD2 3.79Å; I5-F9 HydrophobicContact CG2-CE2 3.97Å; I5-F9 WeakPolarHBondContact O-CB 2.99Å; I5-F9 VanDerWaalsContact O-CD2 3.25Å; I5-F9 WeakPolarHBondContact O-CD2 3.5Å; I5-F9 PolarHBondContact O-N 3.27Å; I5-F9 VanDerWaalsContact O-N 3.16Å; F9-A12 PolarHBondContact O-N 3.3Å; F9-F13 VanDerWaalsContact O-CB 3.23Å; F9-F13 WeakPolarHBondContact O-CB 3.34Å; F9-F13 PolarHBondContact O-N 3.28Å
10	L	60.2	Low	58.2	Low	100 Å²	100	110.6 Å²	110.6	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-64.3	-49.5	179.3	-135.4	80	0	0	0	113.7	W6 A12 F13 L14	W6-L10 WeakPolarHBondContact O-CB 3.43Å; W6-L10 PolarHBondContact O-N 3.38Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 3.42Å; L10-F13 PolarHBondContact O-N 3.49Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 2.89Å
11	P	63.7	Low	57.6	Low	63 Å²	63	109.1 Å²	109.1	41%	0.409	58%	0.575	S	S	.	*	H	α-helix	trans	-69	-32.5	177.4	24.5	-31.9	0	0	0	112.3	N7 I8 L14 L15	N7-P11 WeakPolarHBondContact O-CD 3.49Å; N7-P11 VanDerWaalsContact O-CG 3.22Å; N7-P11 WeakPolarHBondContact O-CG 3.17Å; I8-P11 WeakPolarHBondContact O-CD 3.43Å; P11-L14 PolarHBondContact O-N 3.13Å; P11-L15 WeakPolarHBondContact O-CB 3.44Å; P11-L15 PolarHBondContact O-N 3.43Å
12	A	68.4	Low	57.3	Low	50 Å²	50	105.2 Å²	105.2	41%	0.413	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-41.3	173.9	0	0	0	0	0	111.9	I8 F9 L10 L15 V16	I8-A12 WeakPolarHBondContact O-CB 3.43Å; I8-A12 PolarHBondContact O-N 3.03Å; F9-A12 PolarHBondContact O-N 3.3Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 3.42Å; A12-L15 PolarHBondContact O-N 2.72Å; A12-V16 VanDerWaalsContact O-CG2 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.34Å; A12-V16 PolarHBondContact O-N 3.03Å
13	F	70.2	Confident	56.6	Low	127 Å²	127	106.1 Å²	106.1	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-67.4	-40.8	176.2	-172.1	-107.7	0	0	0	111.9	F9 L10 V16 L17	F9-F13 VanDerWaalsContact O-CB 3.23Å; F9-F13 WeakPolarHBondContact O-CB 3.34Å; F9-F13 PolarHBondContact O-N 3.28Å; L10-F13 PolarHBondContact O-N 3.49Å; F13-V16 PolarHBondContact O-N 3.02Å; F13-L17 HydrophobicContact CD1-CD1 3.76Å; F13-L17 HydrophobicContact CD1-CG 4.39Å; F13-L17 HydrophobicContact CE1-CD1 3.45Å; F13-L17 VanDerWaalsContact CE1-CD1 3.45Å; F13-L17 HydrophobicContact CE1-CG 4.17Å; F13-L17 HydrophobicContact CZ-CD1 4.08Å; F13-L17 HydrophobicContact CZ-CG 4.41Å; F13-L17 WeakPolarHBondContact O-CG 3.22Å; F13-L17 PolarHBondContact O-N 3.28Å
14	L	68.3	Low	55.8	Low	105 Å²	105	105.6 Å²	105.6	55%	0.55	55%	0.553	S	S	.	*	H	α-helix	trans	-65.7	-36	173.7	-72.4	167.6	0	0	0	112.5	L10 P11 L17 A18	L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 2.89Å; P11-L14 PolarHBondContact O-N 3.13Å; L14-L17 PolarHBondContact O-N 2.9Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.18Å; L14-A18 PolarHBondContact O-N 2.96Å
15	L	64.8	Low	55	Low	102 Å²	102	104.9 Å²	104.9	53%	0.534	56%	0.558	S	S	.	*	H	α-helix	trans	-67.7	-35.6	171.8	-96.7	150.3	0	0	0	112.5	P11 A12 K19	P11-L15 WeakPolarHBondContact O-CB 3.44Å; P11-L15 PolarHBondContact O-N 3.43Å; A12-L15 PolarHBondContact O-N 2.72Å; L15-K19 VanDerWaalsContact O-CB 3.24Å; L15-K19 WeakPolarHBondContact O-CB 3.44Å; L15-K19 VanDerWaalsContact O-CG 3.25Å; L15-K19 WeakPolarHBondContact O-CG 3.25Å; L15-K19 PolarHBondContact O-N 3.49Å
16	V	65.6	Low	54.2	Low	92 Å²	92	110.3 Å²	110.3	56%	0.558	57%	0.573	S	S	*	*	H	α-helix	trans	-69.3	-40.8	173.7	170.3	0	0	0	0	110.8	A12 F13 K19 A20	A12-V16 VanDerWaalsContact O-CG2 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.34Å; A12-V16 PolarHBondContact O-N 3.03Å; F13-V16 PolarHBondContact O-N 3.02Å; V16-K19 PolarHBondContact O-N 3.31Å; V16-A20 WeakPolarHBondContact O-CB 3.47Å; V16-A20 PolarHBondContact O-N 3.42Å
17	L	63.3	Low	53.7	Low	87 Å²	87	105.6 Å²	105.6	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-68.1	-39.2	174.5	-72	174.7	0	0	0	112.4	F13 L14 A20 S21	F13-L17 HydrophobicContact CD1-CD1 3.76Å; F13-L17 HydrophobicContact CD1-CG 4.39Å; F13-L17 HydrophobicContact CE1-CD1 3.45Å; F13-L17 VanDerWaalsContact CE1-CD1 3.45Å; F13-L17 HydrophobicContact CE1-CG 4.17Å; F13-L17 HydrophobicContact CZ-CD1 4.08Å; F13-L17 HydrophobicContact CZ-CG 4.41Å; F13-L17 WeakPolarHBondContact O-CG 3.22Å; F13-L17 PolarHBondContact O-N 3.28Å; L14-L17 PolarHBondContact O-N 2.9Å; L17-A20 PolarHBondContact O-N 3.38Å; L17-S21 VanDerWaalsContact O-CB 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 3.17Å
18	A	55	Low	53.1	Low	50 Å²	50	104.7 Å²	104.7	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-67.3	-39.9	174.4	0	0	0	0	0	111.7	L14 S21 L22	L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.18Å; L14-A18 PolarHBondContact O-N 2.96Å; A18-S21 PolarHBondContact O-N 3.48Å; A18-L22 WeakPolarHBondContact O-CB 3.43Å; A18-L22 WeakPolarHBondContact O-CD1 3.44Å; A18-L22 PolarHBondContact O-N 2.97Å
19	K	52.1	Low	52.4	Low	144 Å²	144	103.3 Å²	103.3	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-35.2	172.4	-76.1	178.7	179	-179.7	0	112.2	L15 V16 R23	L15-K19 VanDerWaalsContact O-CB 3.24Å; L15-K19 WeakPolarHBondContact O-CB 3.44Å; L15-K19 VanDerWaalsContact O-CG 3.25Å; L15-K19 WeakPolarHBondContact O-CG 3.25Å; L15-K19 PolarHBondContact O-N 3.49Å; V16-K19 PolarHBondContact O-N 3.31Å; K19-R23 WeakPolarHBondContact O-CB 3.18Å; K19-R23 PolarHBondContact O-N 3.29Å
20	A	50.3	Low	52.1	Low	51 Å²	51	100.3 Å²	100.3	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-69	-36.9	174.4	0	0	0	0	0	111.6	V16 L17 R23 S24	V16-A20 WeakPolarHBondContact O-CB 3.47Å; V16-A20 PolarHBondContact O-N 3.42Å; L17-A20 PolarHBondContact O-N 3.38Å; A20-R23 PolarHBondContact O-N 3.25Å; A20-S24 WeakPolarHBondContact O-CB 3.49Å; A20-S24 PolarHBondContact O-N 2.89Å
21	S	45.4	Very low	52.1	Low	81 Å²	81	97.8 Å²	97.8	57%	0.566	55%	0.551	S	S	*	*	H	α-helix	trans	-68.5	-44.4	173.3	-179.7	0	0	0	0	112.1	L17 A18 R23 S24 S25	L17-S21 VanDerWaalsContact O-CB 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 3.17Å; A18-S21 PolarHBondContact O-N 3.48Å; S21-R23 VanDerWaalsContact C-N 3.33Å; S21-R23 PolarHBondContact O-N 3.5Å; S21-S24 PolarHBondContact O-N 3.4Å; S21-S25 PolarHBondContact O-N 3.39Å
22	L	42.6	Very low	51.7	Low	115 Å²	115	103.6 Å²	103.6	60%	0.602	57%	0.57	S	S	*	*	H	α-helix	trans	-67.6	-29.5	173.4	-99.9	86.8	0	0	0	113.4	A18	A18-L22 WeakPolarHBondContact O-CB 3.43Å; A18-L22 WeakPolarHBondContact O-CD1 3.44Å; A18-L22 PolarHBondContact O-N 2.97Å
23	R	35.7	Very low	50.8	Low	182 Å²	182	107.9 Å²	107.9	69%	0.687	59%	0.585	S	S	*	*	H	α-helix	trans	-80.2	-36	178.1	-162.6	167.7	-164.8	170.5	4.4	111.6	K19 A20 S21 S25 R26 D27	K19-R23 WeakPolarHBondContact O-CB 3.18Å; K19-R23 PolarHBondContact O-N 3.29Å; A20-R23 PolarHBondContact O-N 3.25Å; S21-R23 VanDerWaalsContact C-N 3.33Å; S21-R23 PolarHBondContact O-N 3.5Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 2.96Å; R23-R26 PolarHBondContact O-N 3.04Å; R23-D27 WeakPolarHBondContact CG-OD2 3.36Å; R23-D27 PolarHBondContact O-N 3.47Å
24	S	36.2	Very low	49.7	Very low	97 Å²	97	109.5 Å²	109.5	68%	0.678	60%	0.599	S	S	*	*	H	α-helix	trans	-61.2	-35.9	173.5	-171.5	0	0	0	0	112.4	A20 S21	A20-S24 WeakPolarHBondContact O-CB 3.49Å; A20-S24 PolarHBondContact O-N 2.89Å; S21-S24 PolarHBondContact O-N 3.4Å
25	S	37.4	Very low	49.1	Very low	103 Å²	103	111.4 Å²	111.4	72%	0.72	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-11.1	178.7	-170.8	0	0	0	0	115	S21 R23	S21-S25 PolarHBondContact O-N 3.39Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 2.96Å
26	R	38.5	Very low	49	Very low	199 Å²	199	113.9 Å²	113.9	75%	0.751	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-10.8	-178.8	-88.5	-178.7	171	170.4	-1.8	114.7	R23	R23-R26 PolarHBondContact O-N 3.04Å
27	D	38.2	Very low	48.9	Very low	99 Å²	99	113.3 Å²	113.3	53%	0.529	60%	0.601	S	S	.	*	S	Bend	trans	-99.3	4.7	-174.4	-78.3	-27.2	0	0	0	115.1	R23	R23-D27 WeakPolarHBondContact CG-OD2 3.36Å; R23-D27 PolarHBondContact O-N 3.47Å
28	S	39	Very low	48.9	Very low	97 Å²	97	112.1 Å²	112.1	68%	0.678	60%	0.6	S	S	*	*	S	Bend	trans	-83.2	-17.2	179.5	-177	0	0	0	0	114.7
29	A	46.5	Very low	49.4	Very low	80 Å²	80	115.4 Å²	115.4	66%	0.661	61%	0.607	S	S	*	*	S	Bend	trans	-97.4	-0.3	-174.8	0	0	0	0	0	115.3	C31	A29-C31 PolarHBondContact O-N 3.16Å
30	N	53.3	Low	50.1	Low	83 Å²	83	109.8 Å²	109.8	44%	0.444	58%	0.583	S	S	.	*			trans	-99.8	92.2	-172.7	-84.1	-35.1	0	0	0	111.6	K32 L33	N30-K32 PolarHBondContact O-N 2.95Å; N30-L33 WeakPolarHBondContact OD1-CD1 3.39Å
31	C	60.8	Low	51.2	Low	46 Å²	46	110.8 Å²	110.8	31%	0.311	58%	0.581	S	S	.	*	S	Bend	trans	-54.2	95.5	145.1	-49.5	0	0	0	0	104.7	A29 L33 C258	A29-C31 PolarHBondContact O-N 3.16Å; C31-L33 PolarHBondContact O-N 2.91Å; C31-C258 HydrophobicContact CB-CB 4.2Å; C31-C258 WeakPolarHBondContact CB-SG 3.43Å; C31-C258 WeakPolarHBondContact SG-CA 3.29Å; C31-C258 WeakPolarHBondContact SG-CB 3.47Å; C31-C258 CovalentContact SG-SG 2.04Å; C31-C258 PolarHBondContact SG-SG 3.29Å
32	K	54	Low	53.2	Low	186 Å²	186	107 Å²	107	81%	0.809	56%	0.555	S	S	*	*			trans	-26.3	112.7	-166.6	-83.9	-179.4	176.8	177	0	111.8	N30 N34	N30-K32 PolarHBondContact O-N 2.95Å; K32-N34 PolarHBondContact O-N 3.37Å
33	L	49.5	Very low	55.7	Low	140 Å²	140	101.7 Å²	101.7	73%	0.733	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	79.4	168	-75.5	156	0	0	0	109.7	N30 C31	N30-L33 WeakPolarHBondContact OD1-CD1 3.39Å; C31-L33 PolarHBondContact O-N 2.91Å
34	N	46.5	Very low	58.5	Low	160 Å²	160	93 Å²	93	86%	0.856	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-177.6	16.5	171.3	-98.7	-26.5	0	0	0	113.5	K32	K32-N34 PolarHBondContact O-N 3.37Å
35	K	55.8	Low	61.4	Low	145 Å²	145	89.2 Å²	89.2	63%	0.63	47%	0.465	S	S	*	.	S	Bend	trans	-102.4	120.8	160	-71.8	-174	-179.5	-177.6	0	107.8	Q39 L40	K35-Q39 HydrophobicContact CB-CB 4.27Å; K35-L40 HydrophobicContact CB-CD2 4.46Å; K35-L40 HydrophobicContact CD-CD2 4.49Å
36	K	63.9	Low	64.2	Low	155 Å²	155	85.6 Å²	85.6	67%	0.674	44%	0.439	S	S	*	.			trans	-56.3	145.9	169.4	-68.1	-178.6	178.5	-179.6	0	107.7	S38 Q39	K36-S38 WeakPolarHBondContact CB-OG 3.39Å; K36-S38 PolarHBondContact O-N 2.8Å; K36-Q39 WeakPolarHBondContact O-CB 3.47Å; K36-Q39 PolarHBondContact O-N 3.38Å
37	Q	62.8	Low	67	Low	80 Å²	80	76.1 Å²	76.1	37%	0.374	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-48.1	-32.6	175.9	-86.3	-168.2	-1.9	0	0	112.2	Q39 L40 A355	Q37-Q39 PolarHBondContact O-N 2.74Å; Q37-Q39 VanDerWaalsContact O-N 3.11Å; Q37-L40 PolarHBondContact O-N 3.48Å; Q37-L40 VanDerWaalsContact O-N 3.16Å; Q37-A355 WeakPolarHBondContact O-CB 3.4Å
38	S	63.9	Low	69.7	Low	62 Å²	62	76.8 Å²	76.8	43%	0.434	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-61.1	-14.4	175.9	58.3	0	0	0	0	116	K36 G356	K36-S38 WeakPolarHBondContact CB-OG 3.39Å; K36-S38 PolarHBondContact O-N 2.8Å; S38-G356 VanDerWaalsContact CB-CA 3.5Å; S38-G356 PolarHBondContact O-N 3.44Å
39	Q	64.5	Low	72.3	Confident	119 Å²	119	74.6 Å²	74.6	56%	0.556	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-104.3	-0	-179.4	-62.4	178	-22.2	0	0	113.2	K35 K36 Q37	K35-Q39 HydrophobicContact CB-CB 4.27Å; K36-Q39 WeakPolarHBondContact O-CB 3.47Å; K36-Q39 PolarHBondContact O-N 3.38Å; Q37-Q39 PolarHBondContact O-N 2.74Å; Q37-Q39 VanDerWaalsContact O-N 3.11Å
40	L	67.3	Low	74.4	Confident	26 Å²	26	76.7 Å²	76.7	14%	0.136	38%	0.378	C	S	.	.	S	Bend	trans	-85.4	155.3	170.8	-59.6	176.8	0	0	0	109.6	K35 Q37 A355	K35-L40 HydrophobicContact CB-CD2 4.46Å; K35-L40 HydrophobicContact CD-CD2 4.49Å; Q37-L40 PolarHBondContact O-N 3.48Å; Q37-L40 VanDerWaalsContact O-N 3.16Å; L40-A355 WeakPolarHBondContact O-CB 3.43Å
41	N	74.3	Confident	76.3	Confident	71 Å²	71	74.5 Å²	74.5	38%	0.38	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-79.9	130.9	164.9	-62.2	-50	0	0	0	108.5	G259 L261	N41-G259 VanDerWaalsContact CB-O 3.28Å; N41-G259 WeakPolarHBondContact CB-O 3.33Å; N41-G259 PolarHBondContact ND2-O 2.98Å; N41-L261 HydrophobicContact CB-CD1 4.13Å; N41-L261 HydrophobicContact CB-CD2 4.14Å; N41-L261 HydrophobicContact CB-CG 4.07Å
42	S	86.6	Confident	78	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.007	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-83.7	148.5	165.1	23.1	0	0	0	0	109.8	L44 N73 H352 T353 A355	S42-L44 PolarHBondContact O-N 2.67Å; S42-L44 VanDerWaalsContact O-N 3.07Å; S42-N73 PolarHBondContact OG-ND2 3.16Å; S42-H352 PolarHBondContact O-NE2 3.34Å; S42-T353 PolarHBondContact OG-O 3.42Å; S42-A355 WeakPolarHBondContact OG-CA 3.34Å; S42-A355 PolarHBondContact OG-N 3.45Å; S42-A355 VanDerWaalsContact OG-N 3.07Å
43	F	94.1	Very high	80	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.022	32%	0.324	C	S	.	.	S	Bend	trans	-83.6	49.4	165.5	-67.6	-97.7	0	0	0	109.7	W45 F56 G57 Y256 D260 L261 F266 A330 L334	F43-W45 HydrophobicContact CB-CH2 4.23Å; F43-W45 HydrophobicContact CB-CZ3 4.05Å; F43-W45 HydrophobicContact CD1-CH2 4.2Å; F43-W45 VanDerWaalsContact O-CZ3 3.23Å; F43-W45 WeakPolarHBondContact O-CZ3 3.5Å; F43-F56 CarbonylContact O-C 3.55Å; F43-F56 VanDerWaalsContact O-CA 3.27Å; F43-F56 WeakPolarHBondContact O-CA 3.42Å; F43-F56 VanDerWaalsContact O-CD2 3.26Å; F43-F56 WeakPolarHBondContact O-CD2 3.45Å; F43-G57 WeakPolarHBondContact CB-O 3.43Å; F43-G57 PolarHBondContact O-N 3.43Å; F43-Y256 HydrophobicContact CB-CE2 4.32Å; F43-Y256 HydrophobicContact CD1-CD2 4.42Å; F43-Y256 HydrophobicContact CD1-CE2 4.15Å; F43-Y256 AromaticContact CD2-CD2 3.77Å; F43-Y256 HydrophobicContact CD2-CD2 3.77Å; F43-Y256 AromaticContact CD2-CE2 3.46Å; F43-Y256 HydrophobicContact CD2-CE2 3.46Å; F43-Y256 VanDerWaalsContact CD2-CE2 3.46Å; F43-Y256 HydrophobicContact CD2-CG 4.49Å; F43-Y256 AromaticContact CD2-CZ 3.94Å; F43-Y256 HydrophobicContact CE1-CD2 4.14Å; F43-Y256 HydrophobicContact CE1-CE2 4.33Å; F43-Y256 AromaticContact CE2-CD2 3.48Å; F43-Y256 HydrophobicContact CE2-CD2 3.48Å; F43-Y256 VanDerWaalsContact CE2-CD2 3.48Å; F43-Y256 AromaticContact CE2-CE2 3.71Å; F43-Y256 HydrophobicContact CE2-CE2 3.71Å; F43-Y256 HydrophobicContact CE2-CG 4Å; F43-Y256 HydrophobicContact CG-CD2 4.25Å; F43-Y256 AromaticContact CG-CE2 3.71Å; F43-Y256 HydrophobicContact CG-CE2 3.71Å; F43-Y256 AromaticContact CZ-CD2 3.68Å; F43-Y256 HydrophobicContact CZ-CD2 3.68Å; F43-Y256 HydrophobicContact CZ-CE2 4.14Å; F43-Y256 HydrophobicContact CZ-CG 4.4Å; F43-D260 WeakPolarHBondContact CZ-O 3.36Å; F43-L261 HydrophobicContact CD1-CD2 4.3Å; F43-L261 HydrophobicContact CE1-CD2 4Å; F43-L261 HydrophobicContact CZ-CD2 4.19Å; F43-F266 HydrophobicContact CE1-CD1 4.48Å; F43-F266 HydrophobicContact CE1-CD2 4.32Å; F43-F266 HydrophobicContact CE1-CE1 4.11Å; F43-F266 AromaticContact CE1-CE2 3.94Å; F43-F266 HydrophobicContact CE1-CE2 3.94Å; F43-F266 AromaticContact CE1-CZ 3.82Å; F43-F266 HydrophobicContact CE1-CZ 3.82Å; F43-F266 HydrophobicContact CZ-CE1 4Å; F43-F266 AromaticContact CZ-CE2 3.93Å; F43-F266 HydrophobicContact CZ-CE2 3.93Å; F43-F266 AromaticContact CZ-CZ 3.51Å; F43-F266 HydrophobicContact CZ-CZ 3.51Å; F43-A330 HydrophobicContact CD1-CB 3.77Å; F43-A330 HydrophobicContact CE1-CB 3.97Å; F43-L334 HydrophobicContact CE1-CD1 4Å
44	L	95.8	Very high	82.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.9	-177.1	-174.3	73.9	0	0	0	110	S42 Y54 F55 F56 A77 F325 T353 I359	S42-L44 PolarHBondContact O-N 2.67Å; S42-L44 VanDerWaalsContact O-N 3.07Å; L44-Y54 HydrophobicContact CD1-CD1 4.45Å; L44-F55 CarbonylContact C-O 3.32Å; L44-F55 WeakPolarHBondContact CA-O 3.46Å; L44-F56 HydrophobicContact CD1-CB 4.5Å; L44-F56 HydrophobicContact CD1-CD2 4.33Å; L44-A77 HydrophobicContact CD1-CB 4.19Å; L44-A77 HydrophobicContact CD2-CB 4.35Å; L44-F325 HydrophobicContact CD1-CE2 4.22Å; L44-T353 HydrophobicContact CD2-CG2 3.86Å; L44-T353 WeakPolarHBondContact O-CB 3.25Å; L44-T353 PolarHBondContact O-N 3.4Å; L44-I359 HydrophobicContact CD2-CD1 4.05Å
45	W	96.6	Very high	84.8	Confident	17 Å²	17	50.8 Å²	50.8	6%	0.064	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.9	172.5	-60.7	-106.7	0	0	0	109.9	F43 Y54 F55 F333 L334 I340 V350 L351 H352	F43-W45 HydrophobicContact CB-CH2 4.23Å; F43-W45 HydrophobicContact CB-CZ3 4.05Å; F43-W45 HydrophobicContact CD1-CH2 4.2Å; F43-W45 VanDerWaalsContact O-CZ3 3.23Å; F43-W45 WeakPolarHBondContact O-CZ3 3.5Å; W45-Y54 CarbonylContact O-C 3.45Å; W45-Y54 VanDerWaalsContact O-CA 3.29Å; W45-Y54 WeakPolarHBondContact O-CA 3.42Å; W45-F55 HydrophobicContact CB-CB 4.23Å; W45-F55 HydrophobicContact CE3-CB 4.43Å; W45-F55 PolarHBondContact N-O 2.87Å; W45-F55 PolarHBondContact O-N 2.8Å; W45-F333 HydrophobicContact CD2-CB 4.5Å; W45-F333 HydrophobicContact CE3-CB 4.26Å; W45-F333 HydrophobicContact CE3-CD2 4.22Å; W45-F333 HydrophobicContact CE3-CG 4.17Å; W45-F333 HydrophobicContact CH2-CB 3.65Å; W45-F333 HydrophobicContact CH2-CD2 4.28Å; W45-F333 HydrophobicContact CH2-CG 4.26Å; W45-F333 HydrophobicContact CZ2-CB 3.88Å; W45-F333 HydrophobicContact CZ3-CB 3.84Å; W45-F333 AromaticContact CZ3-CD2 3.73Å; W45-F333 HydrophobicContact CZ3-CD2 3.73Å; W45-F333 AromaticContact CZ3-CG 3.92Å; W45-F333 HydrophobicContact CZ3-CG 3.92Å; W45-L334 HydrophobicContact CH2-CD2 4.43Å; W45-L334 HydrophobicContact CZ2-CD2 4.11Å; W45-I340 HydrophobicContact CB-CD1 4.48Å; W45-I340 VanDerWaalsContact CD1-CD1 3.41Å; W45-I340 HydrophobicContact CD2-CD1 3.9Å; W45-I340 HydrophobicContact CG-CD1 3.72Å; W45-V350 HydrophobicContact CB-CG1 4.02Å; W45-L351 CarbonylContact C-O 3.59Å; W45-L351 VanDerWaalsContact CA-O 3.25Å; W45-L351 WeakPolarHBondContact CA-O 3.23Å; W45-H352 VanDerWaalsContact CD1-CA 3.42Å; W45-H352 AromaticContact CE2-CD2 3.83Å; W45-H352 AromaticContact NE1-CD2 3.76Å
46	T	96.9	Very high	86.8	Confident	27 Å²	27	44.1 Å²	44.1	17%	0.166	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126	177	-60.9	0	0	0	0	109.1	P52 Y54 V350 L351 T353	T46-P52 HydrophobicContact CG2-CB 4.26Å; T46-Y54 HydrophobicContact CG2-CD1 4.34Å; T46-Y54 HydrophobicContact CG2-CE1 4.03Å; T46-V350 WeakPolarHBondContact O-CA 3.35Å; T46-L351 PolarHBondContact N-O 3.06Å; T46-L351 PolarHBondContact O-N 3.43Å; T46-T353 WeakPolarHBondContact CB-OG1 3.46Å; T46-T353 PolarHBondContact N-OG1 3.45Å; T46-T353 PolarHBondContact OG1-OG1 3.19Å
47	I	97.1	Very high	88.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.2	167.5	-49.2	176.2	0	0	0	106.7	R49 S53 F55 L316 F326 L343 Y348 V350	I47-R49 HydrophobicContact CG2-CG 4.48Å; I47-R49 PolarHBondContact O-N 3.06Å; I47-S53 WeakPolarHBondContact CB-O 2.88Å; I47-S53 PolarHBondContact N-O 3.21Å; I47-S53 PolarHBondContact O-N 3.33Å; I47-F55 HydrophobicContact CD1-CD2 3.93Å; I47-F55 HydrophobicContact CD1-CE1 4.4Å; I47-F55 HydrophobicContact CD1-CE2 3.48Å; I47-F55 VanDerWaalsContact CD1-CE2 3.48Å; I47-F55 HydrophobicContact CD1-CZ 3.75Å; I47-F55 HydrophobicContact CG1-CD2 3.93Å; I47-F55 HydrophobicContact CG1-CE2 3.77Å; I47-L316 HydrophobicContact CD1-CD1 3.95Å; I47-L316 HydrophobicContact CG2-CD1 4.22Å; I47-F326 HydrophobicContact CD1-CD2 4.41Å; I47-F326 HydrophobicContact CD1-CE2 4.34Å; I47-L343 HydrophobicContact CD1-CD1 3.9Å; I47-L343 HydrophobicContact CG1-CD1 4.47Å; I47-Y348 HydrophobicContact CG2-CD1 3.92Å; I47-Y348 HydrophobicContact CG2-CG 4.48Å; I47-V350 HydrophobicContact CG1-CG1 4.42Å; I47-V350 HydrophobicContact CG1-CG2 4.22Å; I47-V350 HydrophobicContact CG2-CG2 4.34Å
48	K	94.8	Very high	90	Very high	112 Å²	112	32.9 Å²	32.9	49%	0.487	17%	0.17	S	C	.	.			trans	-72.4	112.6	-178.1	-69.7	-156.5	-168.3	147.6	0	111.2	D349	K48-D349 HydrophobicContact CB-CB 4.17Å; K48-D349 HydrophobicContact CD-CB 4.42Å; K48-D349 VanDerWaalsContact CD-OD2 3.22Å; K48-D349 WeakPolarHBondContact CD-OD2 3.21Å; K48-D349 WeakPolarHBondContact CE-OD2 3.25Å; K48-D349 HydrophobicContact CG-CB 4.36Å; K48-D349 PolarHBondContact N-O 3.3Å; K48-D349 IonicContact NZ-OD2 2.68Å; K48-D349 PolarHBondContact NZ-OD2 3.32Å
49	R	92.7	Very high	91.4	Very high	51 Å²	51	30 Å²	30	19%	0.192	15%	0.15	C	C	.	.	S	Bend	trans	-166.7	172.4	175	47.3	178.4	-65.7	159.8	-7.1	108.4	I47 P51 P52 L316 F319 P320 K322	I47-R49 HydrophobicContact CG2-CG 4.48Å; I47-R49 PolarHBondContact O-N 3.06Å; R49-P51 WeakPolarHBondContact CG-O 3.45Å; R49-P51 CarbonylContact O-C 3.6Å; R49-P52 WeakPolarHBondContact O-CA 3.44Å; R49-P52 VanDerWaalsContact O-N 3.16Å; R49-L316 VanDerWaalsContact NH1-CA 3.27Å; R49-L316 PolarHBondContact NH1-O 3.16Å; R49-L316 PolarHBondContact NH2-O 3.48Å; R49-F319 PolarHBondContact NH2-O 3.3Å; R49-P320 PolarHBondContact NH2-O 3.06Å; R49-K322 PolarHBondContact NH2-O 3.28Å
50	D	91.9	Very high	92.7	Very high	125 Å²	125	28 Å²	28	67%	0.668	14%	0.14	S	C	*	.	S	Bend	trans	-122.1	115.7	174.3	-169.9	33.6	0	0	0	110.2	N362	D50-N362 PolarHBondContact OD1-ND2 3.2Å
51	P	93.2	Very high	93.8	Very high	36 Å²	36	26.9 Å²	26.9	23%	0.234	13%	0.134	C	C	.	.	S	Bend	cis	-72	153.8	-5.1	33.5	-37.2	0	0	0	112.3	R49	R49-P51 WeakPolarHBondContact CG-O 3.45Å; R49-P51 CarbonylContact O-C 3.6Å
52	P	94.8	Very high	94.6	Very high	28 Å²	28	24.3 Å²	24.3	18%	0.182	12%	0.122	C	C	.	.			trans	-64	153	-177.6	27	-36.1	0	0	0	112.1	T46 R49 Y54 S323	T46-P52 HydrophobicContact CG2-CB 4.26Å; R49-P52 WeakPolarHBondContact O-CA 3.44Å; R49-P52 VanDerWaalsContact O-N 3.16Å; P52-Y54 HydrophobicContact CB-CE1 4.4Å; P52-Y54 HydrophobicContact CB-CE2 4.48Å; P52-Y54 HydrophobicContact CG-CE2 4.39Å; P52-Y54 WeakPolarHBondContact CG-OH 3.43Å; P52-S323 VanDerWaalsContact O-CB 3.24Å; P52-S323 WeakPolarHBondContact O-CB 3.43Å; P52-S323 PolarHBondContact O-OG 2.62Å
53	S	97.3	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	158.2	170.7	-63.6	0	0	0	0	110.2	I47 F324	I47-S53 WeakPolarHBondContact CB-O 2.88Å; I47-S53 PolarHBondContact N-O 3.21Å; I47-S53 PolarHBondContact O-N 3.33Å; S53-F324 CarbonylContact C-O 3.59Å; S53-F324 VanDerWaalsContact CA-O 3.24Å; S53-F324 WeakPolarHBondContact CA-O 3.33Å; S53-F324 WeakPolarHBondContact CB-O 3.41Å; S53-F324 PolarHBondContact OG-N 3.42Å; S53-F324 VanDerWaalsContact OG-N 3.08Å
54	Y	98.2	Very high	94.8	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.5	-168.7	-53	-79.7	0	0	0	111.9	L44 W45 T46 P52 A77 F324 F325 F326 I359	L44-Y54 HydrophobicContact CD1-CD1 4.45Å; W45-Y54 CarbonylContact O-C 3.45Å; W45-Y54 VanDerWaalsContact O-CA 3.29Å; W45-Y54 WeakPolarHBondContact O-CA 3.42Å; T46-Y54 HydrophobicContact CG2-CD1 4.34Å; T46-Y54 HydrophobicContact CG2-CE1 4.03Å; P52-Y54 HydrophobicContact CB-CE1 4.4Å; P52-Y54 HydrophobicContact CB-CE2 4.48Å; P52-Y54 HydrophobicContact CG-CE2 4.39Å; P52-Y54 WeakPolarHBondContact CG-OH 3.43Å; Y54-A77 HydrophobicContact CD1-CB 4.02Å; Y54-A77 HydrophobicContact CD2-CB 3.89Å; Y54-A77 HydrophobicContact CE1-CB 4.2Å; Y54-A77 HydrophobicContact CE2-CB 4.06Å; Y54-A77 HydrophobicContact CG-CB 3.86Å; Y54-F324 PolarHBondContact N-O 3.02Å; Y54-F325 HydrophobicContact CD2-CD2 4.36Å; Y54-F325 HydrophobicContact CG-CD2 4.45Å; Y54-F326 WeakPolarHBondContact O-CD2 2.95Å; Y54-F326 PolarHBondContact O-N 3.28Å; Y54-I359 HydrophobicContact CE1-CD1 4.2Å; Y54-I359 HydrophobicContact CE1-CG2 4.16Å; Y54-I359 WeakPolarHBondContact OH-CG2 3.46Å
55	F	98.4	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.5	160.4	-68.4	-65.1	0	0	0	109.5	L44 W45 I47 V312 F326 F328 F333 V339 I340 L343 V350	L44-F55 CarbonylContact C-O 3.32Å; L44-F55 WeakPolarHBondContact CA-O 3.46Å; W45-F55 HydrophobicContact CB-CB 4.23Å; W45-F55 HydrophobicContact CE3-CB 4.43Å; W45-F55 PolarHBondContact N-O 2.87Å; W45-F55 PolarHBondContact O-N 2.8Å; I47-F55 HydrophobicContact CD1-CD2 3.93Å; I47-F55 HydrophobicContact CD1-CE1 4.4Å; I47-F55 HydrophobicContact CD1-CE2 3.48Å; I47-F55 VanDerWaalsContact CD1-CE2 3.48Å; I47-F55 HydrophobicContact CD1-CZ 3.75Å; I47-F55 HydrophobicContact CG1-CD2 3.93Å; I47-F55 HydrophobicContact CG1-CE2 3.77Å; F55-V312 HydrophobicContact CE1-CG1 3.96Å; F55-V312 HydrophobicContact CE1-CG2 4.03Å; F55-V312 HydrophobicContact CZ-CB 4.47Å; F55-V312 HydrophobicContact CZ-CG1 3.73Å; F55-V312 HydrophobicContact CZ-CG2 4.42Å; F55-F326 CarbonylContact C-O 3.48Å; F55-F326 WeakPolarHBondContact CA-O 3.14Å; F55-F326 HydrophobicContact CD1-CB 3.51Å; F55-F326 HydrophobicContact CD1-CD2 4.05Å; F55-F326 HydrophobicContact CD1-CG 4.06Å; F55-F326 HydrophobicContact CE1-CB 3.86Å; F55-F326 AromaticContact CE1-CD2 3.85Å; F55-F326 HydrophobicContact CE1-CD2 3.85Å; F55-F326 AromaticContact CE1-CG 3.95Å; F55-F326 HydrophobicContact CE1-CG 3.95Å; F55-F328 HydrophobicContact CD1-CD2 4.37Å; F55-F328 HydrophobicContact CD1-CE2 4.18Å; F55-F328 HydrophobicContact CE1-CD2 4.47Å; F55-F328 AromaticContact CE1-CE2 3.93Å; F55-F328 HydrophobicContact CE1-CE2 3.93Å; F55-F333 HydrophobicContact CB-CD1 4.32Å; F55-F333 HydrophobicContact CB-CE1 3.66Å; F55-F333 HydrophobicContact CB-CE2 4.37Å; F55-F333 HydrophobicContact CB-CZ 3.68Å; F55-F333 AromaticContact CD1-CE1 3.55Å; F55-F333 HydrophobicContact CD1-CE1 3.55Å; F55-F333 AromaticContact CD1-CZ 3.75Å; F55-F333 HydrophobicContact CD1-CZ 3.75Å; F55-F333 HydrophobicContact CD2-CE1 4.28Å; F55-F333 HydrophobicContact CE1-CE1 4.23Å; F55-F333 HydrophobicContact CG-CD1 4.41Å; F55-F333 AromaticContact CG-CE1 3.59Å; F55-F333 HydrophobicContact CG-CE1 3.59Å; F55-F333 AromaticContact CG-CZ 3.96Å; F55-F333 HydrophobicContact CG-CZ 3.96Å; F55-V339 HydrophobicContact CE1-CG1 3.93Å; F55-V339 HydrophobicContact CZ-CG1 3.77Å; F55-I340 HydrophobicContact CD2-CG1 4.48Å; F55-L343 HydrophobicContact CE2-CD1 3.64Å; F55-L343 HydrophobicContact CE2-CG 4.45Å; F55-L343 HydrophobicContact CZ-CD1 3.57Å; F55-L343 HydrophobicContact CZ-CG 4.24Å; F55-V350 HydrophobicContact CD2-CG1 4.08Å; F55-V350 HydrophobicContact CE2-CG1 4.25Å
56	F	98	Very high	94.5	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.1	174.8	-177	-107.5	0	0	0	110.4	F43 L44 T58 I70 L188 L192 Y256 F325 F326 A327 F328	F43-F56 CarbonylContact O-C 3.55Å; F43-F56 VanDerWaalsContact O-CA 3.27Å; F43-F56 WeakPolarHBondContact O-CA 3.42Å; F43-F56 VanDerWaalsContact O-CD2 3.26Å; F43-F56 WeakPolarHBondContact O-CD2 3.45Å; L44-F56 HydrophobicContact CD1-CB 4.5Å; L44-F56 HydrophobicContact CD1-CD2 4.33Å; F56-T58 HydrophobicContact CD1-CG2 3.9Å; F56-T58 HydrophobicContact CE1-CG2 4Å; F56-I70 HydrophobicContact CE1-CD1 4.48Å; F56-I70 HydrophobicContact CE2-CG2 4.07Å; F56-I70 HydrophobicContact CZ-CD1 3.89Å; F56-I70 HydrophobicContact CZ-CG1 4.22Å; F56-I70 HydrophobicContact CZ-CG2 3.93Å; F56-L188 HydrophobicContact CE1-CD2 4.32Å; F56-L192 HydrophobicContact CD1-CD1 3.98Å; F56-L192 HydrophobicContact CE1-CD1 3.93Å; F56-Y256 WeakPolarHBondContact CZ-OH 3.35Å; F56-F325 HydrophobicContact CB-CD1 4.46Å; F56-F325 HydrophobicContact CB-CE1 3.47Å; F56-F325 VanDerWaalsContact CB-CE1 3.47Å; F56-F325 HydrophobicContact CB-CE2 4.1Å; F56-F325 HydrophobicContact CB-CZ 3.25Å; F56-F325 HydrophobicContact CD1-CE1 4.16Å; F56-F325 HydrophobicContact CD1-CZ 4.09Å; F56-F325 HydrophobicContact CD2-CZ 4.23Å; F56-F325 AromaticContact CG-CE1 3.99Å; F56-F325 HydrophobicContact CG-CE1 3.99Å; F56-F325 AromaticContact CG-CZ 3.6Å; F56-F325 HydrophobicContact CG-CZ 3.6Å; F56-F326 PolarHBondContact N-O 2.88Å; F56-A327 WeakPolarHBondContact O-CA 3.21Å; F56-F328 PolarHBondContact O-N 2.86Å; F56-F328 VanDerWaalsContact O-O 3.08Å
57	G	96.8	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.1	178.9	0	0	0	0	0	111.7	F43 Y256 F328	F43-G57 WeakPolarHBondContact CB-O 3.43Å; F43-G57 PolarHBondContact O-N 3.43Å; G57-Y256 WeakPolarHBondContact O-CE2 3.3Å; G57-Y256 PolarHBondContact O-OH 3.12Å; G57-F328 CarbonylContact C-O 3.56Å; G57-F328 VanDerWaalsContact CA-O 3.22Å; G57-F328 WeakPolarHBondContact CA-O 3.47Å
58	T	96	Very high	94	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	167.5	174.4	55.9	0	0	0	0	111.6	F56 L188 D189 L192 A327 F328 G329 A330	F56-T58 HydrophobicContact CD1-CG2 3.9Å; F56-T58 HydrophobicContact CE1-CG2 4Å; T58-L188 HydrophobicContact CG2-CD2 4.24Å; T58-L188 HydrophobicContact CG2-CG 4.29Å; T58-D189 WeakPolarHBondContact CB-OD1 3.44Å; T58-D189 PolarHBondContact OG1-OD1 3.24Å; T58-L192 HydrophobicContact CG2-CD1 3.8Å; T58-A327 HydrophobicContact CG2-CB 4.12Å; T58-F328 PolarHBondContact N-O 3.47Å; T58-F328 PolarHBondContact OG1-O 3.48Å; T58-G329 CarbonylContact O-C 3.54Å; T58-G329 WeakPolarHBondContact O-CA 3.48Å; T58-G329 PolarHBondContact OG1-N 2.82Å; T58-A330 WeakPolarHBondContact O-CB 3.27Å; T58-A330 PolarHBondContact O-N 3.36Å
59	I	93.3	Very high	93.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.195	C	C	.	.			trans	-138.1	148.7	169.5	51.4	160.3	0	0	0	110	V61 V66 L252 Y256 F266 D269 A330	I59-V61 HydrophobicContact CD1-CB 4.49Å; I59-V61 HydrophobicContact CD1-CG1 4.13Å; I59-V61 HydrophobicContact CD1-CG2 3.55Å; I59-V61 HydrophobicContact CG1-CG2 3.81Å; I59-V61 PolarHBondContact O-N 3.43Å; I59-V66 HydrophobicContact CD1-CG1 4.09Å; I59-L252 HydrophobicContact CB-CD2 4.4Å; I59-L252 HydrophobicContact CD1-CD2 4.41Å; I59-L252 HydrophobicContact CD1-CG 4.09Å; I59-L252 HydrophobicContact CG2-CD1 4.16Å; I59-Y256 HydrophobicContact CB-CD2 4.44Å; I59-Y256 HydrophobicContact CD1-CD1 3.96Å; I59-Y256 HydrophobicContact CD1-CD2 3.83Å; I59-Y256 HydrophobicContact CD1-CG 3.51Å; I59-Y256 HydrophobicContact CG1-CD1 4.27Å; I59-Y256 HydrophobicContact CG1-CD2 3.81Å; I59-Y256 HydrophobicContact CG1-CE1 4.48Å; I59-Y256 HydrophobicContact CG1-CE2 4.04Å; I59-Y256 HydrophobicContact CG1-CG 3.93Å; I59-Y256 HydrophobicContact CG2-CD2 3.75Å; I59-Y256 HydrophobicContact CG2-CE2 4.1Å; I59-F266 HydrophobicContact CG2-CD1 3.72Å; I59-F266 HydrophobicContact CG2-CE1 3.97Å; I59-D269 WeakPolarHBondContact CA-OD2 3.46Å; I59-D269 WeakPolarHBondContact CB-OD2 3.44Å; I59-A330 HydrophobicContact CG2-CB 4.21Å
60	H	91.7	Very high	93.6	Very high	77 Å²	77	38 Å²	38	36%	0.356	19%	0.187	S	C	.	.	S	Bend	trans	-81.1	59.3	-171.4	-161.9	71.6	0	0	0	113.4	D189 D269	H60-D189 IonicContact ND1-OD2 3.16Å; H60-D269 PolarHBondContact N-OD1 3.44Å; H60-D269 PolarHBondContact N-OD2 3.23Å
61	V	90.6	Very high	93.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	16%	0.158	C	C	.	.	S	Bend	trans	-131	158.9	-178.6	-53.7	0	0	0	0	110.9	I59 Y63 V66 V187 L188 T249 L252 I253	I59-V61 HydrophobicContact CD1-CB 4.49Å; I59-V61 HydrophobicContact CD1-CG1 4.13Å; I59-V61 HydrophobicContact CD1-CG2 3.55Å; I59-V61 HydrophobicContact CG1-CG2 3.81Å; I59-V61 PolarHBondContact O-N 3.43Å; V61-Y63 PolarHBondContact O-N 2.84Å; V61-V66 HydrophobicContact CG2-CG1 3.63Å; V61-V66 HydrophobicContact CG2-CG2 4.34Å; V61-V187 CarbonylContact O-C 3.58Å; V61-V187 WeakPolarHBondContact O-CA 3.2Å; V61-L188 PolarHBondContact O-N 3.02Å; V61-T249 HydrophobicContact CG1-CG2 3.78Å; V61-L252 HydrophobicContact CG1-CD2 3.96Å; V61-I253 HydrophobicContact CB-CD1 4.28Å; V61-I253 HydrophobicContact CB-CG1 4.12Å; V61-I253 HydrophobicContact CG1-CD1 4.36Å; V61-I253 HydrophobicContact CG1-CG1 3.98Å; V61-I253 HydrophobicContact CG2-CG1 4.01Å
62	P	91.6	Very high	93.4	Very high	17 Å²	17	35.3 Å²	35.3	11%	0.11	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-52.9	127.5	178	-24.3	31.4	0	0	0	112	T64 R65 V185 P186	P62-T64 PolarHBondContact O-N 2.79Å; P62-T64 VanDerWaalsContact O-N 3.08Å; P62-R65 HydrophobicContact CB-CG 4.14Å; P62-R65 HydrophobicContact CG-CG 4.47Å; P62-R65 WeakPolarHBondContact O-CB 3.28Å; P62-R65 PolarHBondContact O-N 2.96Å; P62-V185 HydrophobicContact CB-CB 4.05Å; P62-V185 HydrophobicContact CB-CG1 3.74Å; P62-P186 WeakPolarHBondContact CA-O 3.35Å
63	Y	93.8	Very high	93.2	Very high	60 Å²	60	34.4 Å²	34.4	24%	0.235	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.9	-174.1	82.6	-83.1	0	0	0	112.4	V61 R65 V66 W67 V185 P186 Y191	V61-Y63 PolarHBondContact O-N 2.84Å; Y63-R65 PolarHBondContact O-N 3.49Å; Y63-R65 VanDerWaalsContact O-N 3.12Å; Y63-V66 WeakPolarHBondContact O-CG2 3.23Å; Y63-V66 PolarHBondContact O-N 3.28Å; Y63-W67 HydrophobicContact CD2-CB 4.17Å; Y63-W67 HydrophobicContact CD2-CG 4.44Å; Y63-W67 VanDerWaalsContact O-CB 3.25Å; Y63-W67 WeakPolarHBondContact O-CB 3.31Å; Y63-W67 PolarHBondContact O-N 3.39Å; Y63-V185 HydrophobicContact CD1-CG1 3.97Å; Y63-V185 HydrophobicContact CE1-CG1 3.97Å; Y63-P186 HydrophobicContact CD1-CB 4.3Å; Y63-P186 WeakPolarHBondContact CD1-O 3.3Å; Y63-P186 PolarHBondContact N-O 3.16Å; Y63-Y191 AromaticContact CD1-CD2 3.96Å; Y63-Y191 HydrophobicContact CD1-CD2 3.96Å; Y63-Y191 HydrophobicContact CD1-CG 4.06Å; Y63-Y191 AromaticContact CD2-CD1 3.91Å; Y63-Y191 HydrophobicContact CD2-CD1 3.91Å; Y63-Y191 AromaticContact CD2-CD2 3.76Å; Y63-Y191 HydrophobicContact CD2-CD2 3.76Å; Y63-Y191 HydrophobicContact CD2-CE1 4.02Å; Y63-Y191 AromaticContact CD2-CE2 3.9Å; Y63-Y191 HydrophobicContact CD2-CE2 3.9Å; Y63-Y191 AromaticContact CD2-CG 3.78Å; Y63-Y191 HydrophobicContact CD2-CG 3.78Å; Y63-Y191 HydrophobicContact CE1-CD2 4.08Å; Y63-Y191 AromaticContact CE2-CD2 3.89Å; Y63-Y191 HydrophobicContact CE2-CD2 3.89Å; Y63-Y191 AromaticContact CE2-CE2 3.72Å; Y63-Y191 HydrophobicContact CE2-CE2 3.72Å; Y63-Y191 HydrophobicContact CE2-CG 4.38Å; Y63-Y191 HydrophobicContact CG-CD1 4.04Å; Y63-Y191 AromaticContact CG-CD2 3.81Å; Y63-Y191 HydrophobicContact CG-CD2 3.81Å; Y63-Y191 HydrophobicContact CG-CE2 4.41Å; Y63-Y191 AromaticContact CG-CG 3.6Å; Y63-Y191 HydrophobicContact CG-CG 3.6Å
64	T	92.3	Very high	93	Very high	73 Å²	73	34.5 Å²	34.5	45%	0.448	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-61.8	-19.6	178.7	55.8	0	0	0	0	114	P62 V185	P62-T64 PolarHBondContact O-N 2.79Å; P62-T64 VanDerWaalsContact O-N 3.08Å; T64-V185 HydrophobicContact CG2-CG1 4.01Å
65	R	91.8	Very high	92.8	Very high	104 Å²	104	35.5 Å²	35.5	39%	0.392	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-84.6	-14.4	178.3	-60.9	-66.1	-57.5	-89.8	-3.9	113.1	P62 Y63 E250 I253 N257	P62-R65 HydrophobicContact CB-CG 4.14Å; P62-R65 HydrophobicContact CG-CG 4.47Å; P62-R65 WeakPolarHBondContact O-CB 3.28Å; P62-R65 PolarHBondContact O-N 2.96Å; Y63-R65 PolarHBondContact O-N 3.49Å; Y63-R65 VanDerWaalsContact O-N 3.12Å; R65-E250 IonicContact CZ-OE1 2.72Å; R65-E250 IonicContact CZ-OE2 3.97Å; R65-E250 IonicContact NH1-OE1 2.73Å; R65-E250 PolarHBondContact NH1-OE1 3.3Å; R65-E250 IonicContact NH1-OE2 3.35Å; R65-E250 VanDerWaalsContact NH2-CD 3.32Å; R65-E250 IonicContact NH2-OE1 3.27Å; R65-E250 PolarHBondContact NH2-OE1 3.07Å; R65-E250 VanDerWaalsContact NH2-OE1 3.13Å; R65-E250 IonicContact NH2-OE2 2.62Å; R65-E250 PolarHBondContact NH2-OE2 3.43Å; R65-I253 HydrophobicContact CB-CD1 4.1Å; R65-I253 HydrophobicContact CB-CG2 4.35Å; R65-I253 HydrophobicContact CG-CD1 4.33Å; R65-N257 PolarHBondContact O-ND2 2.92Å
66	V	92.7	Very high	92.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-24.9	-169.4	-61.7	0	0	0	0	114.1	I59 V61 Y63 D68 F69 I70 L188 I253 Y256 N257	I59-V66 HydrophobicContact CD1-CG1 4.09Å; V61-V66 HydrophobicContact CG2-CG1 3.63Å; V61-V66 HydrophobicContact CG2-CG2 4.34Å; Y63-V66 WeakPolarHBondContact O-CG2 3.23Å; Y63-V66 PolarHBondContact O-N 3.28Å; V66-D68 VanDerWaalsContact C-N 3.31Å; V66-D68 PolarHBondContact O-N 3.36Å; V66-F69 WeakPolarHBondContact O-CB 3.4Å; V66-F69 PolarHBondContact O-N 2.92Å; V66-I70 PolarHBondContact O-N 3.28Å; V66-L188 HydrophobicContact CG2-CB 4.4Å; V66-L188 HydrophobicContact CG2-CD1 4.32Å; V66-L188 HydrophobicContact CG2-CD2 4.07Å; V66-I253 HydrophobicContact CG1-CG2 4.37Å; V66-Y256 HydrophobicContact CB-CD1 4.06Å; V66-Y256 HydrophobicContact CB-CE1 4.05Å; V66-Y256 HydrophobicContact CG1-CD1 3.97Å; V66-Y256 HydrophobicContact CG1-CE1 4.4Å; V66-N257 WeakPolarHBondContact CA-OD1 3.33Å
67	W	93.1	Very high	92.5	Very high	56 Å²	56	37.2 Å²	37.2	21%	0.212	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-57.4	-39.3	-171.2	-175.7	-106.8	0	0	0	114.3	Y63 F69 I70 K75 L188 Y191 L192	Y63-W67 HydrophobicContact CD2-CB 4.17Å; Y63-W67 HydrophobicContact CD2-CG 4.44Å; Y63-W67 VanDerWaalsContact O-CB 3.25Å; Y63-W67 WeakPolarHBondContact O-CB 3.31Å; Y63-W67 PolarHBondContact O-N 3.39Å; W67-F69 PolarHBondContact O-N 3.36Å; W67-I70 HydrophobicContact CE3-CD1 3.88Å; W67-I70 HydrophobicContact CZ3-CD1 4.31Å; W67-I70 PolarHBondContact O-N 3.48Å; W67-K75 HydrophobicContact CH2-CG 4.22Å; W67-K75 HydrophobicContact CZ2-CD 4.13Å; W67-K75 HydrophobicContact CZ2-CG 4.28Å; W67-K75 WeakPolarHBondContact O-CE 3.49Å; W67-K75 PolarHBondContact O-NZ 2.66Å; W67-L188 HydrophobicContact CE3-CD1 4.22Å; W67-Y191 AromaticContact CD2-CE1 3.93Å; W67-Y191 HydrophobicContact CD2-CE1 3.93Å; W67-Y191 HydrophobicContact CE3-CD1 4.13Å; W67-Y191 AromaticContact CE3-CE1 3.62Å; W67-Y191 HydrophobicContact CE3-CE1 3.62Å; W67-Y191 AromaticContact CH2-CE1 3.79Å; W67-Y191 HydrophobicContact CH2-CE1 3.79Å; W67-Y191 HydrophobicContact CZ2-CE1 4.07Å; W67-Y191 HydrophobicContact CZ3-CD1 4.15Å; W67-Y191 AromaticContact CZ3-CE1 3.56Å; W67-Y191 HydrophobicContact CZ3-CE1 3.56Å; W67-L192 HydrophobicContact CH2-CD2 4.42Å; W67-L192 HydrophobicContact CZ3-CD2 3.95Å
68	D	90.2	Very high	92.5	Very high	119 Å²	119	37.6 Å²	37.6	64%	0.636	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-71.7	-19.1	179.7	-65.9	-20.1	0	0	0	112.9	V66	V66-D68 VanDerWaalsContact C-N 3.31Å; V66-D68 PolarHBondContact O-N 3.36Å
69	F	89.3	Confident	92.4	Very high	85 Å²	85	43.6 Å²	43.6	37%	0.373	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-92.9	-15.5	177.7	-61.5	-90.2	0	0	0	112.8	V66 W67 P71 N257	V66-F69 WeakPolarHBondContact O-CB 3.4Å; V66-F69 PolarHBondContact O-N 2.92Å; W67-F69 PolarHBondContact O-N 3.36Å; F69-P71 WeakPolarHBondContact O-CD 3.49Å; F69-N257 HydrophobicContact CB-CB 3.94Å; F69-N257 WeakPolarHBondContact CB-OD1 3.19Å; F69-N257 HydrophobicContact CD1-CB 3.74Å; F69-N257 HydrophobicContact CD2-CB 4.06Å; F69-N257 VanDerWaalsContact CD2-ND2 3.27Å; F69-N257 WeakPolarHBondContact CD2-ND2 3.2Å; F69-N257 HydrophobicContact CE1-CB 4.24Å; F69-N257 WeakPolarHBondContact CE2-ND2 3.37Å; F69-N257 HydrophobicContact CG-CB 3.64Å; F69-N257 VanDerWaalsContact CG-CG 3.42Å
70	I	91.3	Very high	92.4	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-68.5	121.8	174.5	-65.8	169.9	0	0	0	108.9	F56 V66 W67 K75 L188 Y256	F56-I70 HydrophobicContact CE1-CD1 4.48Å; F56-I70 HydrophobicContact CE2-CG2 4.07Å; F56-I70 HydrophobicContact CZ-CD1 3.89Å; F56-I70 HydrophobicContact CZ-CG1 4.22Å; F56-I70 HydrophobicContact CZ-CG2 3.93Å; V66-I70 PolarHBondContact O-N 3.28Å; W67-I70 HydrophobicContact CE3-CD1 3.88Å; W67-I70 HydrophobicContact CZ3-CD1 4.31Å; W67-I70 PolarHBondContact O-N 3.48Å; I70-K75 HydrophobicContact CG2-CG 4.29Å; I70-K75 WeakPolarHBondContact O-CE 3.29Å; I70-K75 PolarHBondContact O-NZ 3.19Å; I70-L188 HydrophobicContact CD1-CD1 3.87Å; I70-L188 HydrophobicContact CD1-CD2 4.01Å; I70-Y256 HydrophobicContact CG1-CE1 4.14Å
71	P	90.1	Very high	92.6	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.045	20%	0.203	C	C	.	.			trans	-67.9	151.8	-176	-20.1	32.8	0	0	0	113.6	F69 N73 S74 K75 A355	F69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-N73 WeakPolarHBondContact CB-OD1 3.24Å; P71-N73 PolarHBondContact O-N 3.49Å; P71-N73 VanDerWaalsContact O-N 3.13Å; P71-S74 WeakPolarHBondContact O-CB 3.24Å; P71-S74 PolarHBondContact O-N 3.35Å; P71-K75 PolarHBondContact O-N 2.87Å; P71-A355 HydrophobicContact CB-CB 3.68Å; P71-A355 HydrophobicContact CG-CB 3.61Å
72	E	89.3	Confident	92.7	Very high	98 Å²	98	48.1 Å²	48.1	46%	0.458	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-26.8	-175.3	-68	-53.9	126.9	0	0	114.3	S74 K75 T76	E72-S74 VanDerWaalsContact C-N 3.26Å; E72-S74 PolarHBondContact O-N 3.14Å; E72-K75 PolarHBondContact O-N 2.84Å; E72-K75 WeakPolarHBondContact OE1-CD 3.3Å; E72-K75 IonicContact OE1-NZ 3.23Å; E72-K75 PolarHBondContact OE1-NZ 2.9Å; E72-T76 VanDerWaalsContact O-CB 3.27Å; E72-T76 WeakPolarHBondContact O-CB 3.48Å; E72-T76 PolarHBondContact O-N 3.34Å; E72-T76 PolarHBondContact O-OG1 2.81Å
73	N	90.4	Very high	93	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-36.1	174.9	70.2	-17.6	0	0	0	112.1	S42 P71 T76 A77 P354 A355 R357 I359	S42-N73 PolarHBondContact OG-ND2 3.16Å; P71-N73 WeakPolarHBondContact CB-OD1 3.24Å; P71-N73 PolarHBondContact O-N 3.49Å; P71-N73 VanDerWaalsContact O-N 3.13Å; N73-T76 PolarHBondContact O-N 3Å; N73-A77 WeakPolarHBondContact O-CB 3.48Å; N73-A77 PolarHBondContact O-N 2.67Å; N73-P354 PolarHBondContact ND2-O 3.26Å; N73-A355 WeakPolarHBondContact ND2-CA 3.23Å; N73-R357 WeakPolarHBondContact CB-O 3.41Å; N73-I359 HydrophobicContact CB-CD1 4.35Å; N73-I359 HydrophobicContact CB-CG1 4.13Å; N73-I359 WeakPolarHBondContact O-CG1 3.49Å
74	S	94.1	Very high	93.2	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-74.8	-43	-178.4	-54.5	0	0	0	0	110.1	P71 E72 T76 A77 F78	P71-S74 WeakPolarHBondContact O-CB 3.24Å; P71-S74 PolarHBondContact O-N 3.35Å; E72-S74 VanDerWaalsContact C-N 3.26Å; E72-S74 PolarHBondContact O-N 3.14Å; S74-T76 VanDerWaalsContact C-N 3.32Å; S74-T76 PolarHBondContact O-N 2.85Å; S74-A77 PolarHBondContact O-N 3.08Å; S74-F78 PolarHBondContact O-N 3.19Å
75	K	94.6	Very high	93.5	Very high	26 Å²	26	44 Å²	44	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-41.3	172.1	-61	178.7	-169.8	161.4	0	111.5	W67 I70 P71 E72 F78 Q79	W67-K75 HydrophobicContact CH2-CG 4.22Å; W67-K75 HydrophobicContact CZ2-CD 4.13Å; W67-K75 HydrophobicContact CZ2-CG 4.28Å; W67-K75 WeakPolarHBondContact O-CE 3.49Å; W67-K75 PolarHBondContact O-NZ 2.66Å; I70-K75 HydrophobicContact CG2-CG 4.29Å; I70-K75 WeakPolarHBondContact O-CE 3.29Å; I70-K75 PolarHBondContact O-NZ 3.19Å; P71-K75 PolarHBondContact O-N 2.87Å; E72-K75 PolarHBondContact O-N 2.84Å; E72-K75 WeakPolarHBondContact OE1-CD 3.3Å; E72-K75 IonicContact OE1-NZ 3.23Å; E72-K75 PolarHBondContact OE1-NZ 2.9Å; K75-F78 PolarHBondContact O-N 2.81Å; K75-Q79 WeakPolarHBondContact O-CB 3.4Å; K75-Q79 VanDerWaalsContact O-CG 3.27Å; K75-Q79 WeakPolarHBondContact O-CG 3.37Å; K75-Q79 PolarHBondContact O-N 2.6Å
76	T	93.9	Very high	93.8	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.258	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-45.6	176.6	-59.6	0	0	0	0	111.4	E72 N73 S74 F78 Q79 Q80 I359	E72-T76 VanDerWaalsContact O-CB 3.27Å; E72-T76 WeakPolarHBondContact O-CB 3.48Å; E72-T76 PolarHBondContact O-N 3.34Å; E72-T76 PolarHBondContact O-OG1 2.81Å; N73-T76 PolarHBondContact O-N 3Å; S74-T76 VanDerWaalsContact C-N 3.32Å; S74-T76 PolarHBondContact O-N 2.85Å; T76-F78 VanDerWaalsContact C-N 3.31Å; T76-F78 PolarHBondContact O-N 3.14Å; T76-Q79 PolarHBondContact O-N 3.36Å; T76-Q80 HydrophobicContact CG2-CG 4.22Å; T76-Q80 WeakPolarHBondContact O-CB 3.02Å; T76-Q80 VanDerWaalsContact O-CG 3.32Å; T76-Q80 WeakPolarHBondContact O-CG 3.16Å; T76-Q80 PolarHBondContact O-N 3.34Å; T76-I359 HydrophobicContact CG2-CB 4.32Å
77	A	95.3	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-42	176.2	0	0	0	0	0	111.9	L44 Y54 N73 S74 S81 F325 I359	L44-A77 HydrophobicContact CD1-CB 4.19Å; L44-A77 HydrophobicContact CD2-CB 4.35Å; Y54-A77 HydrophobicContact CD1-CB 4.02Å; Y54-A77 HydrophobicContact CD2-CB 3.89Å; Y54-A77 HydrophobicContact CE1-CB 4.2Å; Y54-A77 HydrophobicContact CE2-CB 4.06Å; Y54-A77 HydrophobicContact CG-CB 3.86Å; N73-A77 WeakPolarHBondContact O-CB 3.48Å; N73-A77 PolarHBondContact O-N 2.67Å; S74-A77 PolarHBondContact O-N 3.08Å; A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 3.11Å; A77-S81 VanDerWaalsContact O-N 3.14Å; A77-S81 PolarHBondContact O-OG 2.86Å; A77-F325 HydrophobicContact CB-CD2 4.16Å; A77-F325 HydrophobicContact CB-CE2 3.9Å; A77-I359 HydrophobicContact CB-CG1 4.37Å
78	F	96.6	Very high	94	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-45.5	173.6	177.3	-97.9	0	0	0	112.1	S74 K75 T76 Q80 S81 V84 L192 E195 A196 L199 K201 F325	S74-F78 PolarHBondContact O-N 3.19Å; K75-F78 PolarHBondContact O-N 2.81Å; T76-F78 VanDerWaalsContact C-N 3.31Å; T76-F78 PolarHBondContact O-N 3.14Å; F78-Q80 PolarHBondContact O-N 3.43Å; F78-S81 PolarHBondContact O-N 2.82Å; F78-V84 HydrophobicContact CD2-CG2 4.41Å; F78-V84 HydrophobicContact CE2-CG1 4.09Å; F78-V84 HydrophobicContact CE2-CG2 4.07Å; F78-L192 HydrophobicContact CD2-CD2 4.25Å; F78-L192 HydrophobicContact CE2-CB 4.49Å; F78-L192 HydrophobicContact CE2-CD2 4.09Å; F78-L192 HydrophobicContact CZ-CD2 4.3Å; F78-E195 HydrophobicContact CE1-CB 4.41Å; F78-E195 HydrophobicContact CE1-CG 3.86Å; F78-E195 HydrophobicContact CZ-CB 4.3Å; F78-E195 HydrophobicContact CZ-CG 4.24Å; F78-A196 HydrophobicContact CE2-CB 4.31Å; F78-A196 HydrophobicContact CZ-CB 4.01Å; F78-L199 HydrophobicContact CE1-CD1 3.92Å; F78-K201 HydrophobicContact CZ-CD 4.38Å; F78-K201 VanDerWaalsContact O-CE 3.28Å; F78-K201 WeakPolarHBondContact O-CE 3.41Å; F78-K201 PolarHBondContact O-NZ 2.53Å; F78-F325 HydrophobicContact CB-CD2 4.14Å; F78-F325 HydrophobicContact CB-CE1 4.27Å; F78-F325 HydrophobicContact CB-CE2 3.78Å; F78-F325 HydrophobicContact CB-CZ 3.83Å; F78-F325 AromaticContact CD2-CD1 3.85Å; F78-F325 HydrophobicContact CD2-CD1 3.85Å; F78-F325 AromaticContact CD2-CE1 3.81Å; F78-F325 HydrophobicContact CD2-CE1 3.81Å; F78-F325 HydrophobicContact CD2-CG 4.3Å; F78-F325 HydrophobicContact CD2-CZ 4.24Å
79	Q	95.1	Very high	94.1	Very high	126 Å²	126	36 Å²	36	59%	0.589	18%	0.175	S	C	*	.	H	α-helix	trans	-62.7	-42.8	179.3	-76.3	174	1.4	0	0	112.7	K75 T76 K201	K75-Q79 WeakPolarHBondContact O-CB 3.4Å; K75-Q79 VanDerWaalsContact O-CG 3.27Å; K75-Q79 WeakPolarHBondContact O-CG 3.37Å; K75-Q79 PolarHBondContact O-N 2.6Å; T76-Q79 PolarHBondContact O-N 3.36Å; Q79-K201 PolarHBondContact O-NZ 3.06Å
80	Q	93.3	Very high	94	Very high	58 Å²	58	34 Å²	34	27%	0.271	17%	0.168	S	C	.	.	H	α-helix	trans	-73	-27.1	-179.2	-71.3	172.1	-8.6	0	0	113.6	T76 F78 N361	T76-Q80 HydrophobicContact CG2-CG 4.22Å; T76-Q80 WeakPolarHBondContact O-CB 3.02Å; T76-Q80 VanDerWaalsContact O-CG 3.32Å; T76-Q80 WeakPolarHBondContact O-CG 3.16Å; T76-Q80 PolarHBondContact O-N 3.34Å; F78-Q80 PolarHBondContact O-N 3.43Å; Q80-N361 PolarHBondContact NE2-OD1 2.93Å
81	S	94.9	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.			trans	-79.6	123.3	-178.2	-58.1	0	0	0	0	110.6	A77 F78 K201	A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 3.11Å; A77-S81 VanDerWaalsContact O-N 3.14Å; A77-S81 PolarHBondContact O-OG 2.86Å; F78-S81 PolarHBondContact O-N 2.82Å; S81-K201 PolarHBondContact O-NZ 3.27Å
82	N	93.3	Very high	93.8	Very high	118 Å²	118	37.5 Å²	37.5	63%	0.631	19%	0.188	S	C	*	.	S	Bend	trans	-85	-16	179.5	-70	-29.5	0	0	0	113.2	R202	N82-R202 PolarHBondContact O-N 3.45Å
83	I	97.8	Very high	93.8	Very high	19 Å²	19	36.9 Å²	36.9	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.3	-179.5	-48.6	-177.9	0	0	0	108	Y85 R202 K322 F324 F325	I83-Y85 HydrophobicContact CG2-CD2 3.9Å; I83-Y85 HydrophobicContact CG2-CE2 3.6Å; I83-R202 CarbonylContact C-O 3.59Å; I83-R202 WeakPolarHBondContact CA-O 3.39Å; I83-R202 HydrophobicContact CG1-CB 4.35Å; I83-R202 HydrophobicContact CG2-CB 4.36Å; I83-K322 HydrophobicContact CD1-CB 3.89Å; I83-K322 HydrophobicContact CD1-CD 4.23Å; I83-K322 HydrophobicContact CD1-CG 3.94Å; I83-F324 HydrophobicContact CB-CD1 4.01Å; I83-F324 HydrophobicContact CB-CE1 4.23Å; I83-F324 HydrophobicContact CD1-CE1 4.13Å; I83-F324 HydrophobicContact CD1-CZ 4.33Å; I83-F324 HydrophobicContact CG2-CD1 3.69Å; I83-F324 HydrophobicContact CG2-CE1 3.71Å; I83-F324 WeakPolarHBondContact O-CA 3.18Å; I83-F325 PolarHBondContact O-N 2.81Å
84	V	98.1	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.1	-177.5	-172.1	0	0	0	0	108.8	F78 F86 A196 K201 R202 T203 G204 F325	F78-V84 HydrophobicContact CD2-CG2 4.41Å; F78-V84 HydrophobicContact CE2-CG1 4.09Å; F78-V84 HydrophobicContact CE2-CG2 4.07Å; V84-F86 HydrophobicContact CB-CE2 4.28Å; V84-F86 HydrophobicContact CB-CZ 4.44Å; V84-F86 HydrophobicContact CG1-CD2 4.43Å; V84-F86 HydrophobicContact CG1-CE1 4.12Å; V84-F86 HydrophobicContact CG1-CE2 3.63Å; V84-F86 HydrophobicContact CG1-CZ 3.43Å; V84-F86 VanDerWaalsContact CG1-CZ 3.43Å; V84-A196 HydrophobicContact CB-CB 4.37Å; V84-A196 HydrophobicContact CG2-CB 4.24Å; V84-K201 HydrophobicContact CG2-CB 4.27Å; V84-K201 HydrophobicContact CG2-CD 3.71Å; V84-R202 PolarHBondContact N-O 3.34Å; V84-T203 CarbonylContact O-C 3.53Å; V84-T203 VanDerWaalsContact O-CA 3.23Å; V84-T203 WeakPolarHBondContact O-CA 3.47Å; V84-G204 PolarHBondContact O-N 2.97Å; V84-F325 CarbonylContact C-O 3.52Å; V84-F325 VanDerWaalsContact CA-O 3.25Å; V84-F325 WeakPolarHBondContact CA-O 3.12Å; V84-F325 HydrophobicContact CG1-CB 4.48Å; V84-F325 HydrophobicContact CG1-CD1 4.15Å; V84-F325 WeakPolarHBondContact CG1-O 3.24Å; V84-F325 HydrophobicContact CG2-CB 4.37Å
85	Y	98.2	Very high	93.8	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.2	176.9	-90	-106	0	0	0	110.1	I83 G204 V206 L315 F324 F325 F326 A327	I83-Y85 HydrophobicContact CG2-CD2 3.9Å; I83-Y85 HydrophobicContact CG2-CE2 3.6Å; Y85-G204 CarbonylContact C-O 3.5Å; Y85-G204 VanDerWaalsContact CA-O 3.32Å; Y85-G204 WeakPolarHBondContact CA-O 3.34Å; Y85-V206 HydrophobicContact CD1-CG1 3.73Å; Y85-V206 HydrophobicContact CG-CG1 4.36Å; Y85-L315 HydrophobicContact CD1-CD1 3.76Å; Y85-L315 HydrophobicContact CE1-CD1 3.55Å; Y85-L315 HydrophobicContact CE1-CD2 4.08Å; Y85-L315 HydrophobicContact CE1-CG 4.49Å; Y85-L315 HydrophobicContact CE2-CD1 4.35Å; Y85-L315 HydrophobicContact CE2-CD2 4.46Å; Y85-L315 HydrophobicContact CG-CD1 4.25Å; Y85-L315 WeakPolarHBondContact OH-CD2 3.39Å; Y85-F324 AromaticContact CD2-CD1 3.99Å; Y85-F324 HydrophobicContact CD2-CD1 3.99Å; Y85-F324 HydrophobicContact CD2-CE1 4.34Å; Y85-F324 HydrophobicContact CE2-CD1 4.05Å; Y85-F324 AromaticContact CE2-CE1 3.93Å; Y85-F324 HydrophobicContact CE2-CE1 3.93Å; Y85-F325 PolarHBondContact N-O 2.96Å; Y85-F326 VanDerWaalsContact CB-CD1 3.48Å; Y85-F326 HydrophobicContact CD2-CE1 4.39Å; Y85-F326 HydrophobicContact CG-CD1 4.28Å; Y85-F326 HydrophobicContact CG-CE1 4.04Å; Y85-F326 CarbonylContact O-C 3.51Å; Y85-F326 WeakPolarHBondContact O-CA 3.29Å; Y85-A327 PolarHBondContact O-N 3.44Å
86	F	97.8	Very high	93.4	Very high	13 Å²	13	44.5 Å²	44.5	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	173.8	174.4	-60.1	-80	0	0	0	109.9	V84 L192 A193 A196 T203 G204 A205 V206 A327	V84-F86 HydrophobicContact CB-CE2 4.28Å; V84-F86 HydrophobicContact CB-CZ 4.44Å; V84-F86 HydrophobicContact CG1-CD2 4.43Å; V84-F86 HydrophobicContact CG1-CE1 4.12Å; V84-F86 HydrophobicContact CG1-CE2 3.63Å; V84-F86 HydrophobicContact CG1-CZ 3.43Å; V84-F86 VanDerWaalsContact CG1-CZ 3.43Å; F86-L192 HydrophobicContact CE1-CB 3.66Å; F86-L192 HydrophobicContact CZ-CB 4.06Å; F86-A193 HydrophobicContact CD2-CB 4.1Å; F86-A193 HydrophobicContact CE1-CB 4.2Å; F86-A193 HydrophobicContact CE2-CB 3.74Å; F86-A193 HydrophobicContact CG-CB 4.48Å; F86-A193 HydrophobicContact CZ-CB 3.81Å; F86-A193 VanDerWaalsContact CZ-N 3.32Å; F86-A196 HydrophobicContact CE2-CB 4.49Å; F86-A196 HydrophobicContact CZ-CB 4.45Å; F86-T203 HydrophobicContact CE2-CG2 4.19Å; F86-G204 PolarHBondContact N-O 3.2Å; F86-A205 CarbonylContact O-C 3.46Å; F86-A205 WeakPolarHBondContact O-CA 3.4Å; F86-V206 PolarHBondContact O-N 2.88Å; F86-A327 HydrophobicContact CD1-CB 3.78Å; F86-A327 HydrophobicContact CE1-CB 3.76Å
87	E	96.5	Very high	93.3	Very high	33 Å²	33	45.8 Å²	45.8	15%	0.154	23%	0.233	C	C	.	.	S	Bend	trans	-59.6	-54.7	170.4	-67.2	-170.9	169.7	0	0	110.6	V206 E207 R304 M308 F328 G329 H332	E87-V206 PolarHBondContact O-N 3.45Å; E87-E207 VanDerWaalsContact CB-OE2 3.31Å; E87-E207 WeakPolarHBondContact CB-OE2 3.07Å; E87-E207 WeakPolarHBondContact O-CA 3.39Å; E87-E207 WeakPolarHBondContact O-CB 3.3Å; E87-E207 WeakPolarHBondContact O-CG 3.43Å; E87-E207 PolarHBondContact O-N 3.11Å; E87-R304 IonicContact OE1-NH2 3.73Å; E87-R304 IonicContact OE2-CZ 2.73Å; E87-R304 IonicContact OE2-NH1 3.49Å; E87-R304 IonicContact OE2-NH2 3.67Å; E87-R304 PolarHBondContact OE2-NH2 2.93Å; E87-M308 HydrophobicContact CG-CE 3.93Å; E87-F328 HydrophobicContact CG-CB 4.03Å; E87-F328 HydrophobicContact CG-CD1 3.67Å; E87-F328 HydrophobicContact CG-CG 4.17Å; E87-F328 WeakPolarHBondContact OE1-CA 3.42Å; E87-F328 WeakPolarHBondContact OE1-CB 3.24Å; E87-G329 PolarHBondContact OE1-N 2.86Å; E87-H332 IonicContact OE1-CD2 2.71Å; E87-H332 PolarHBondContact OE1-CD2 2.9Å; E87-H332 IonicContact OE1-NE2 2.68Å; E87-H332 PolarHBondContact OE1-NE2 3.05Å
88	L	94.7	Very high	93.2	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.099	24%	0.241	C	C	.	.	S	Bend	trans	-135.9	148.7	-178	-162.9	72.9	0	0	0	110.4	L90 T95 L99 V209 Q212	L88-L90 HydrophobicContact CD2-CD2 4.08Å; L88-L90 PolarHBondContact O-N 2.9Å; L88-L90 VanDerWaalsContact O-N 3.08Å; L88-T95 HydrophobicContact CD1-CG2 4.17Å; L88-T95 HydrophobicContact CD2-CG2 3.56Å; L88-T95 HydrophobicContact CG-CG2 3.62Å; L88-L99 HydrophobicContact CD2-CD1 3.66Å; L88-L99 HydrophobicContact CD2-CD2 4.16Å; L88-L99 HydrophobicContact CD2-CG 4.17Å; L88-V209 HydrophobicContact CD1-CG2 4.24Å; L88-Q212 HydrophobicContact CD2-CG 4.38Å
89	D	92.4	Very high	92.9	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.251	25%	0.246	S	C	.	.			trans	-81.9	87.3	178	-170.7	-14.2	0	0	0	110.8	T91 D92 T95 A205	D89-T91 PolarHBondContact O-N 3.27Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.04Å; D89-T91 VanDerWaalsContact OD1-OG1 3.05Å; D89-D92 HydrophobicContact CB-CB 4.38Å; D89-D92 PolarHBondContact OD1-N 3.27Å; D89-D92 VanDerWaalsContact OD1-N 3.12Å; D89-T95 WeakPolarHBondContact O-CB 3.38Å; D89-T95 WeakPolarHBondContact O-CG2 3.36Å; D89-T95 PolarHBondContact O-OG1 2.55Å; D89-T95 VanDerWaalsContact O-OG1 3.04Å; D89-A205 HydrophobicContact CB-CB 4.05Å
90	L	87	Confident	92.7	Very high	41 Å²	41	43.9 Å²	43.9	22%	0.215	23%	0.232	C	C	.	.	S	Bend	trans	-78.3	-2.1	178.7	-61.7	178.4	0	0	0	113.7	L88 I96 L99 L190	L88-L90 HydrophobicContact CD2-CD2 4.08Å; L88-L90 PolarHBondContact O-N 2.9Å; L88-L90 VanDerWaalsContact O-N 3.08Å; L90-I96 HydrophobicContact CB-CD1 4.49Å; L90-I96 HydrophobicContact CD2-CD1 4.02Å; L90-L99 HydrophobicContact CD2-CD1 4.19Å; L90-L190 HydrophobicContact CB-CD1 4.23Å
91	T	87.4	Confident	92.6	Very high	25 Å²	25	44.7 Å²	44.7	15%	0.153	24%	0.244	C	C	.	.	S	Bend	trans	-93.4	-23.5	176.6	74.7	0	0	0	0	111.9	D89 P93 A193 E197	D89-T91 PolarHBondContact O-N 3.27Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.04Å; D89-T91 VanDerWaalsContact OD1-OG1 3.05Å; T91-P93 WeakPolarHBondContact O-CD 3.46Å; T91-A193 HydrophobicContact CG2-CB 4Å; T91-E197 WeakPolarHBondContact CB-OE1 3.39Å; T91-E197 WeakPolarHBondContact CG2-OE1 3.08Å; T91-E197 PolarHBondContact OG1-OE1 2.82Å
92	D	88.7	Confident	92.4	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	25%	0.252	S	S	.	.	S	Bend	trans	-70.5	118.1	171.4	-178.1	10.1	0	0	0	112.9	D89 Y94 T95 I96	D89-D92 HydrophobicContact CB-CB 4.38Å; D89-D92 PolarHBondContact OD1-N 3.27Å; D89-D92 VanDerWaalsContact OD1-N 3.12Å; D92-Y94 PolarHBondContact O-N 2.73Å; D92-Y94 WeakPolarHBondContact OD1-CB 3.33Å; D92-Y94 PolarHBondContact OD1-N 2.9Å; D92-T95 WeakPolarHBondContact O-CB 3.24Å; D92-T95 PolarHBondContact O-N 2.99Å; D92-I96 PolarHBondContact O-N 3.44Å
93	P	89.9	Confident	92.4	Very high	85 Å²	85	41.4 Å²	41.4	55%	0.552	23%	0.227	S	C	*	.	H	α-helix	trans	-57.4	-29.1	174.3	-24.2	34.8	0	0	0	114.5	T91 I96 S97	T91-P93 WeakPolarHBondContact O-CD 3.46Å; P93-I96 PolarHBondContact O-N 2.72Å; P93-S97 WeakPolarHBondContact O-CB 3.46Å; P93-S97 PolarHBondContact O-N 3.47Å
94	Y	92.2	Very high	92.1	Very high	163 Å²	163	42.9 Å²	42.9	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-66.4	-46	178.1	177.2	-97.7	0	0	0	111.1	D92 I96 S97 A98	D92-Y94 PolarHBondContact O-N 2.73Å; D92-Y94 WeakPolarHBondContact OD1-CB 3.33Å; D92-Y94 PolarHBondContact OD1-N 2.9Å; Y94-I96 VanDerWaalsContact C-N 3.31Å; Y94-I96 PolarHBondContact O-N 3.14Å; Y94-S97 WeakPolarHBondContact O-CB 3.13Å; Y94-S97 PolarHBondContact O-N 2.68Å; Y94-S97 VanDerWaalsContact O-N 3.16Å; Y94-A98 WeakPolarHBondContact O-CB 3.45Å; Y94-A98 PolarHBondContact O-N 2.73Å
95	T	91.4	Very high	91.9	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	24%	0.239	C	C	.	.	H	α-helix	trans	-53.2	-48.7	173.6	-56.8	0	0	0	0	111.5	L88 D89 D92 S97 A98 L99 V209	L88-T95 HydrophobicContact CD1-CG2 4.17Å; L88-T95 HydrophobicContact CD2-CG2 3.56Å; L88-T95 HydrophobicContact CG-CG2 3.62Å; D89-T95 WeakPolarHBondContact O-CB 3.38Å; D89-T95 WeakPolarHBondContact O-CG2 3.36Å; D89-T95 PolarHBondContact O-OG1 2.55Å; D89-T95 VanDerWaalsContact O-OG1 3.04Å; D92-T95 WeakPolarHBondContact O-CB 3.24Å; D92-T95 PolarHBondContact O-N 2.99Å; T95-S97 VanDerWaalsContact C-N 3.34Å; T95-S97 PolarHBondContact O-N 2.71Å; T95-A98 PolarHBondContact O-N 2.84Å; T95-L99 HydrophobicContact CG2-CD1 4.2Å; T95-L99 WeakPolarHBondContact O-CB 3.42Å; T95-L99 WeakPolarHBondContact O-CG 3.35Å; T95-L99 PolarHBondContact O-N 2.73Å; T95-V209 HydrophobicContact CG2-CG2 3.65Å
96	I	87.4	Confident	91.7	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-40.5	-179.4	-58.1	-57.7	0	0	0	111.6	L90 D92 P93 Y94 T100 F439	L90-I96 HydrophobicContact CB-CD1 4.49Å; L90-I96 HydrophobicContact CD2-CD1 4.02Å; D92-I96 PolarHBondContact O-N 3.44Å; P93-I96 PolarHBondContact O-N 2.72Å; Y94-I96 VanDerWaalsContact C-N 3.31Å; Y94-I96 PolarHBondContact O-N 3.14Å; I96-T100 WeakPolarHBondContact O-CB 3.22Å; I96-T100 PolarHBondContact O-N 2.94Å; I96-T100 PolarHBondContact O-OG1 3.34Å; I96-F439 HydrophobicContact CG2-CD1 4.24Å
97	S	91.3	Very high	91.3	Very high	69 Å²	69	52.9 Å²	52.9	48%	0.483	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-43.7	176.7	-173.9	0	0	0	0	112.1	P93 Y94 T95 T100 S101	P93-S97 WeakPolarHBondContact O-CB 3.46Å; P93-S97 PolarHBondContact O-N 3.47Å; Y94-S97 WeakPolarHBondContact O-CB 3.13Å; Y94-S97 PolarHBondContact O-N 2.68Å; Y94-S97 VanDerWaalsContact O-N 3.16Å; T95-S97 VanDerWaalsContact C-N 3.34Å; T95-S97 PolarHBondContact O-N 2.71Å; S97-T100 PolarHBondContact O-N 3.13Å; S97-S101 WeakPolarHBondContact O-CB 3.45Å; S97-S101 PolarHBondContact O-N 2.93Å; S97-S101 PolarHBondContact O-OG 3.18Å
98	A	93.1	Very high	90.9	Very high	18 Å²	18	55 Å²	55	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-43.8	178.3	0	0	0	0	0	111.5	Y94 T95 T100 S101 C102 V209	Y94-A98 WeakPolarHBondContact O-CB 3.45Å; Y94-A98 PolarHBondContact O-N 2.73Å; T95-A98 PolarHBondContact O-N 2.84Å; A98-T100 VanDerWaalsContact C-N 3.33Å; A98-T100 PolarHBondContact O-N 2.93Å; A98-S101 PolarHBondContact O-N 2.91Å; A98-C102 PolarHBondContact O-N 3.43Å; A98-V209 HydrophobicContact CB-CB 4.2Å; A98-V209 HydrophobicContact CB-CG1 3.75Å; A98-V209 HydrophobicContact CB-CG2 4.06Å
99	L	90.8	Very high	90.8	Very high	28 Å²	28	58 Å²	58	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-43.1	172.3	-78.1	171.8	0	0	0	111.8	L88 L90 T95 S101 C102 Q103 V209 Q212	L88-L99 HydrophobicContact CD2-CD1 3.66Å; L88-L99 HydrophobicContact CD2-CD2 4.16Å; L88-L99 HydrophobicContact CD2-CG 4.17Å; L90-L99 HydrophobicContact CD2-CD1 4.19Å; T95-L99 HydrophobicContact CG2-CD1 4.2Å; T95-L99 WeakPolarHBondContact O-CB 3.42Å; T95-L99 WeakPolarHBondContact O-CG 3.35Å; T95-L99 PolarHBondContact O-N 2.73Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 2.95Å; L99-C102 PolarHBondContact O-N 3.33Å; L99-C102 PolarHBondContact O-SG 2.93Å; L99-Q103 WeakPolarHBondContact O-CG 3.25Å; L99-Q103 PolarHBondContact O-N 2.79Å; L99-Q103 PolarHBondContact O-NE2 3.44Å; L99-V209 HydrophobicContact CD2-CG1 3.9Å; L99-V209 HydrophobicContact CG-CG1 3.96Å; L99-V209 HydrophobicContact CG-CG2 4.44Å; L99-Q212 HydrophobicContact CD2-CB 4.47Å
100	T	89.8	Confident	90.9	Very high	48 Å²	48	57.8 Å²	57.8	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-43.3	177.7	-58.4	0	0	0	0	110.6	I96 S97 A98 C102 Q103 M104	I96-T100 WeakPolarHBondContact O-CB 3.22Å; I96-T100 PolarHBondContact O-N 2.94Å; I96-T100 PolarHBondContact O-OG1 3.34Å; S97-T100 PolarHBondContact O-N 3.13Å; A98-T100 VanDerWaalsContact C-N 3.33Å; A98-T100 PolarHBondContact O-N 2.93Å; T100-C102 VanDerWaalsContact C-N 3.34Å; T100-C102 PolarHBondContact O-N 3.39Å; T100-Q103 WeakPolarHBondContact O-CB 3.38Å; T100-Q103 PolarHBondContact O-N 3.37Å; T100-M104 WeakPolarHBondContact O-CG 3.25Å
101	S	91.8	Very high	91.3	Very high	75 Å²	75	55.8 Å²	55.8	52%	0.524	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-37.9	179.9	-59	0	0	0	0	112	S97 A98 L99 Q103 M104	S97-S101 WeakPolarHBondContact O-CB 3.45Å; S97-S101 PolarHBondContact O-N 2.93Å; S97-S101 PolarHBondContact O-OG 3.18Å; A98-S101 PolarHBondContact O-N 2.91Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 2.95Å; S101-Q103 PolarHBondContact O-N 3.35Å; S101-M104 PolarHBondContact O-N 2.92Å; S101-M104 VanDerWaalsContact O-N 3.11Å
102	C	91.6	Very high	91.6	Very high	25 Å²	25	60.1 Å²	60.1	17%	0.169	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-17.3	-178.8	90.3	0	0	0	0	114	A98 L99 T100 M104 C213 N217	A98-C102 PolarHBondContact O-N 3.43Å; L99-C102 PolarHBondContact O-N 3.33Å; L99-C102 PolarHBondContact O-SG 2.93Å; T100-C102 VanDerWaalsContact C-N 3.34Å; T100-C102 PolarHBondContact O-N 3.39Å; C102-M104 VanDerWaalsContact C-N 3.3Å; C102-C213 HydrophobicContact CB-CB 3.48Å; C102-C213 VanDerWaalsContact CB-CB 3.48Å; C102-C213 WeakPolarHBondContact CB-SG 3.35Å; C102-C213 WeakPolarHBondContact SG-CB 3.41Å; C102-C213 CovalentContact SG-SG 2.03Å; C102-C213 PolarHBondContact SG-SG 3.03Å; C102-N217 PolarHBondContact O-ND2 3.18Å; C102-N217 VanDerWaalsContact O-ND2 3.16Å
103	Q	91.9	Very high	91.8	Very high	23 Å²	23	63.1 Å²	63.1	11%	0.107	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-18.1	174	-64	176	38	0	0	113.2	L99 T100 S101 K163 R164 W167	L99-Q103 WeakPolarHBondContact O-CG 3.25Å; L99-Q103 PolarHBondContact O-N 2.79Å; L99-Q103 PolarHBondContact O-NE2 3.44Å; T100-Q103 WeakPolarHBondContact O-CB 3.38Å; T100-Q103 PolarHBondContact O-N 3.37Å; S101-Q103 PolarHBondContact O-N 3.35Å; Q103-K163 CarbonylContact O-C 3.55Å; Q103-K163 WeakPolarHBondContact O-CA 3.45Å; Q103-K163 VanDerWaalsContact OE1-NZ 3.09Å; Q103-R164 PolarHBondContact O-N 2.82Å; Q103-W167 HydrophobicContact CB-CB 4.33Å; Q103-W167 HydrophobicContact CB-CD2 4.13Å; Q103-W167 HydrophobicContact CB-CG 3.96Å; Q103-W167 HydrophobicContact CG-CB 4.47Å; Q103-W167 HydrophobicContact CG-CD2 3.54Å; Q103-W167 HydrophobicContact CG-CE3 3.68Å; Q103-W167 HydrophobicContact CG-CG 3.9Å; Q103-W167 HydrophobicContact CG-CH2 4.2Å; Q103-W167 HydrophobicContact CG-CZ2 4.1Å; Q103-W167 HydrophobicContact CG-CZ3 4.01Å
104	M	93.1	Very high	91.9	Very high	51 Å²	51	60.7 Å²	60.7	25%	0.251	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-89.6	147	-167.6	-53.6	-56.7	-76.7	0	0	112.1	T100 S101 C102 R162 K163 R164	T100-M104 WeakPolarHBondContact O-CG 3.25Å; S101-M104 PolarHBondContact O-N 2.92Å; S101-M104 VanDerWaalsContact O-N 3.11Å; C102-M104 VanDerWaalsContact C-N 3.3Å; M104-R162 WeakPolarHBondContact CA-O 3.32Å; M104-R162 HydrophobicContact CE-CB 3.4Å; M104-K163 HydrophobicContact SD-CG 4.1Å; M104-R164 WeakPolarHBondContact O-CG 3.44Å; M104-R164 PolarHBondContact O-NE 3.39Å
105	L	94.3	Very high	92.1	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.084	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-64.5	157.7	165.1	-75.4	166.4	0	0	0	110.4	E109 L111 V114 R162 R164	L105-E109 HydrophobicContact CB-CB 4.13Å; L105-L111 HydrophobicContact CD1-CD2 4.19Å; L105-L111 HydrophobicContact CD1-CG 4.18Å; L105-V114 HydrophobicContact CD1-CG2 4.37Å; L105-V114 HydrophobicContact CD2-CG2 4.21Å; L105-R162 PolarHBondContact N-O 3.25Å; L105-R164 HydrophobicContact CD2-CB 4.39Å; L105-R164 HydrophobicContact CD2-CG 4.05Å; L105-R164 HydrophobicContact CG-CG 4.23Å
106	P	92	Very high	92.4	Very high	57 Å²	57	55.1 Å²	55.1	37%	0.37	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-48.8	157	168.8	-25.9	35.2	0	0	0	112.8	G108 E109 R162	P106-G108 PolarHBondContact O-N 3.26Å; P106-E109 PolarHBondContact O-N 3.49Å; P106-R162 PolarHBondContact O-NH2 2.9Å
107	Q	89.4	Confident	92.8	Very high	194 Å²	194	63.9 Å²	63.9	91%	0.907	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	136.9	177.2	-66.4	-173.8	-0.8	0	0	110.3	E109	Q107-E109 VanDerWaalsContact C-N 3.3Å; Q107-E109 PolarHBondContact O-N 2.87Å
108	G	88.8	Confident	93.1	Very high	76 Å²	76	64.4 Å²	64.4	78%	0.784	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-15.3	-177.8	0	0	0	0	0	115.3	P106	P106-G108 PolarHBondContact O-N 3.26Å
109	E	92.7	Very high	93.3	Very high	84 Å²	84	63.8 Å²	63.8	39%	0.393	35%	0.345	S	S	.	.			trans	-91.7	151.2	176	-71	-174.2	-160.7	0	0	113	L105 P106 Q107 R162	L105-E109 HydrophobicContact CB-CB 4.13Å; P106-E109 PolarHBondContact O-N 3.49Å; Q107-E109 VanDerWaalsContact C-N 3.3Å; Q107-E109 PolarHBondContact O-N 2.87Å; E109-R162 WeakPolarHBondContact O-CD 3.34Å; E109-R162 PolarHBondContact O-NE 3.16Å
110	N	95	Very high	93.7	Very high	41 Å²	41	63.5 Å²	63.5	22%	0.219	34%	0.342	C	S	.	.			trans	-139.2	164	172.5	73.5	2.4	0	0	0	110.6	Q112 N113 V114 E161	N110-Q112 PolarHBondContact O-N 3.44Å; N110-Q112 PolarHBondContact OD1-N 2.82Å; N110-N113 PolarHBondContact O-N 2.71Å; N110-N113 WeakPolarHBondContact OD1-CB 3.27Å; N110-N113 PolarHBondContact OD1-N 3.42Å; N110-N113 PolarHBondContact OD1-ND2 3.18Å; N110-N113 VanDerWaalsContact OD1-ND2 3.13Å; N110-N113 PolarHBondContact OD1-OD1 3.39Å; N110-V114 PolarHBondContact O-N 2.89Å; N110-E161 CarbonylContact C-O 3.59Å; N110-E161 WeakPolarHBondContact CA-O 3.32Å
111	L	94.5	Very high	94	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-26.2	-179.6	-77.7	175.1	0	0	0	114	L105 N113 V114 L115 Y120 W160 E161 K163 P165 V168	L105-L111 HydrophobicContact CD1-CD2 4.19Å; L105-L111 HydrophobicContact CD1-CG 4.18Å; L111-N113 PolarHBondContact O-N 3.14Å; L111-V114 PolarHBondContact O-N 3.37Å; L111-L115 HydrophobicContact CB-CD1 4.24Å; L111-L115 HydrophobicContact CD2-CD1 4.03Å; L111-L115 HydrophobicContact CD2-CG 4.15Å; L111-L115 WeakPolarHBondContact O-CB 3.29Å; L111-L115 PolarHBondContact O-N 2.77Å; L111-Y120 HydrophobicContact CB-CD2 4.31Å; L111-Y120 HydrophobicContact CB-CE2 4.47Å; L111-W160 HydrophobicContact CD1-CE3 3.77Å; L111-W160 HydrophobicContact CD1-CZ3 3.99Å; L111-W160 WeakPolarHBondContact CD1-O 3.22Å; L111-E161 PolarHBondContact N-O 2.85Å; L111-K163 VanDerWaalsContact CD2-O 3.24Å; L111-K163 WeakPolarHBondContact CD2-O 3.32Å; L111-K163 VanDerWaalsContact CG-O 3.3Å; L111-K163 WeakPolarHBondContact CG-O 3.43Å; L111-P165 HydrophobicContact CD2-CB 3.98Å; L111-P165 HydrophobicContact CD2-CG 3.64Å; L111-V168 HydrophobicContact CD1-CG2 3.56Å
112	Q	94.2	Very high	94.3	Very high	115 Å²	115	67.4 Å²	67.4	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-30.8	177.4	-169.9	179.6	13.5	0	0	112	N110 Y120	N110-Q112 PolarHBondContact O-N 3.44Å; N110-Q112 PolarHBondContact OD1-N 2.82Å; Q112-Y120 HydrophobicContact CB-CD2 4.31Å; Q112-Y120 HydrophobicContact CB-CE2 4.02Å; Q112-Y120 HydrophobicContact CG-CE1 4.39Å
113	N	92.4	Very high	94.6	Very high	125 Å²	125	66.2 Å²	66.2	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-85.4	-20.7	178.2	-63.1	-18.3	0	0	0	112.9	N110 L111	N110-N113 PolarHBondContact O-N 2.71Å; N110-N113 WeakPolarHBondContact OD1-CB 3.27Å; N110-N113 PolarHBondContact OD1-N 3.42Å; N110-N113 PolarHBondContact OD1-ND2 3.18Å; N110-N113 VanDerWaalsContact OD1-ND2 3.13Å; N110-N113 PolarHBondContact OD1-OD1 3.39Å; L111-N113 PolarHBondContact O-N 3.14Å
114	V	93.4	Very high	94.9	Very high	33 Å²	33	69.6 Å²	69.6	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-96.9	-34.5	-176.2	177.8	0	0	0	0	112.2	L105 N110 L111 P165 L221	L105-V114 HydrophobicContact CD1-CG2 4.37Å; L105-V114 HydrophobicContact CD2-CG2 4.21Å; N110-V114 PolarHBondContact O-N 2.89Å; L111-V114 PolarHBondContact O-N 3.37Å; V114-P165 HydrophobicContact CG1-CG 3.8Å; V114-L221 HydrophobicContact CG1-CD1 3.78Å
115	L	96.2	Very high	95.1	Very high	10 Å²	10	74.7 Å²	74.7	5%	0.052	36%	0.363	C	S	.	.	S	Bend	trans	-96.5	147.6	-174.2	-68.1	-179.5	0	0	0	113	L111 I119 L123 P165 I225 L228	L111-L115 HydrophobicContact CB-CD1 4.24Å; L111-L115 HydrophobicContact CD2-CD1 4.03Å; L111-L115 HydrophobicContact CD2-CG 4.15Å; L111-L115 WeakPolarHBondContact O-CB 3.29Å; L111-L115 PolarHBondContact O-N 2.77Å; L115-I119 HydrophobicContact CD1-CG2 4.44Å; L115-L123 HydrophobicContact CD1-CD2 4.25Å; L115-P165 HydrophobicContact CD2-CB 3.9Å; L115-P165 HydrophobicContact CD2-CG 4.08Å; L115-I225 HydrophobicContact CD2-CG1 4.3Å; L115-L228 HydrophobicContact CD1-CD2 3.79Å; L115-L228 HydrophobicContact CD2-CD2 3.98Å
116	P	97.1	Very high	95.3	Very high	47 Å²	47	74.1 Å²	74.1	31%	0.305	36%	0.36	S	S	.	.			trans	-53	141.2	164.3	-26.7	36.3	0	0	0	112.1	D118 I119 Y120 I225	P116-D118 VanDerWaalsContact CB-OD1 3.23Å; P116-D118 WeakPolarHBondContact CB-OD1 3.39Å; P116-D118 PolarHBondContact O-N 3.48Å; P116-I119 HydrophobicContact CB-CD1 4.34Å; P116-I119 HydrophobicContact CB-CG1 4.39Å; P116-I119 HydrophobicContact CG-CD1 4.11Å; P116-I119 PolarHBondContact O-N 2.9Å; P116-I119 VanDerWaalsContact O-N 3.15Å; P116-Y120 PolarHBondContact O-N 3.17Å; P116-I225 HydrophobicContact CG-CD1 4.1Å; P116-I225 HydrophobicContact CG-CG2 4.28Å
117	R	96.6	Very high	95.5	Very high	206 Å²	206	71.5 Å²	71.5	78%	0.777	34%	0.343	S	S	*	.	H	α-helix	trans	-57.9	-34.5	-172.6	-70.8	-176.6	176.4	-177.2	-0.3	113.3	R121	R117-R121 WeakPolarHBondContact O-CB 3.42Å; R117-R121 WeakPolarHBondContact O-CG 3.32Å; R117-R121 PolarHBondContact O-N 2.94Å; R117-R121 PolarHBondContact O-NE 3.14Å
118	D	97.1	Very high	95.9	Very high	80 Å²	80	67.3 Å²	67.3	43%	0.428	32%	0.323	S	S	.	.	H	α-helix	trans	-71.5	-44.5	178.8	64.1	-57.3	0	0	0	111.8	P116 R121 R122	P116-D118 VanDerWaalsContact CB-OD1 3.23Å; P116-D118 WeakPolarHBondContact CB-OD1 3.39Å; P116-D118 PolarHBondContact O-N 3.48Å; D118-R121 PolarHBondContact O-N 3.27Å; D118-R122 WeakPolarHBondContact O-CG 3.45Å; D118-R122 PolarHBondContact O-N 3.14Å
119	I	97.3	Very high	96.2	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-46.5	176.9	-64.8	178.9	0	0	0	110.5	L115 P116 R121 R122 L123 I225 L228 N229 L232	L115-I119 HydrophobicContact CD1-CG2 4.44Å; P116-I119 HydrophobicContact CB-CD1 4.34Å; P116-I119 HydrophobicContact CB-CG1 4.39Å; P116-I119 HydrophobicContact CG-CD1 4.11Å; P116-I119 PolarHBondContact O-N 2.9Å; P116-I119 VanDerWaalsContact O-N 3.15Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 3.44Å; I119-R122 PolarHBondContact O-N 3.08Å; I119-L123 WeakPolarHBondContact O-CB 3.23Å; I119-L123 PolarHBondContact O-N 3.34Å; I119-I225 HydrophobicContact CD1-CG2 3.6Å; I119-L228 HydrophobicContact CG2-CD2 3.83Å; I119-L228 HydrophobicContact CG2-CG 4.14Å; I119-N229 HydrophobicContact CD1-CB 4.22Å; I119-L232 HydrophobicContact CG2-CD1 4.06Å
120	Y	97.9	Very high	96.4	Very high	21 Å²	21	63.3 Å²	63.3	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-43.3	176.5	174.1	-89.8	0	0	0	111.6	L111 Q112 P116 L123 K124 W160 E161	L111-Y120 HydrophobicContact CB-CD2 4.31Å; L111-Y120 HydrophobicContact CB-CE2 4.47Å; Q112-Y120 HydrophobicContact CB-CD2 4.31Å; Q112-Y120 HydrophobicContact CB-CE2 4.02Å; Q112-Y120 HydrophobicContact CG-CE1 4.39Å; P116-Y120 PolarHBondContact O-N 3.17Å; Y120-L123 PolarHBondContact O-N 2.9Å; Y120-K124 HydrophobicContact CE1-CD 4.44Å; Y120-K124 WeakPolarHBondContact O-CB 3.27Å; Y120-K124 PolarHBondContact O-N 3.23Å; Y120-W160 HydrophobicContact CD2-CH2 4.14Å; Y120-W160 HydrophobicContact CD2-CZ3 4.23Å; Y120-W160 AromaticContact CE2-CH2 3.56Å; Y120-W160 HydrophobicContact CE2-CH2 3.56Å; Y120-W160 AromaticContact CE2-CZ3 3.9Å; Y120-W160 HydrophobicContact CE2-CZ3 3.9Å; Y120-E161 PolarHBondContact OH-OE1 3.15Å
121	R	97.7	Very high	96.5	Very high	157 Å²	157	65.2 Å²	65.2	59%	0.592	29%	0.287	S	S	*	.	H	α-helix	trans	-64	-42.2	175.6	-82.9	-176.5	-89.6	122.4	-6.7	112.8	R117 D118 I119 K124 R125	R117-R121 WeakPolarHBondContact O-CB 3.42Å; R117-R121 WeakPolarHBondContact O-CG 3.32Å; R117-R121 PolarHBondContact O-N 2.94Å; R117-R121 PolarHBondContact O-NE 3.14Å; D118-R121 PolarHBondContact O-N 3.27Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 3.44Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-R125 WeakPolarHBondContact O-CB 3.28Å; R121-R125 PolarHBondContact O-N 3.07Å
122	R	97.8	Very high	96.6	Very high	49 Å²	49	71.7 Å²	71.7	19%	0.185	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-45.7	176.6	-77.7	174	65.4	-154.8	0.2	111.7	D118 I119 R125 H126 N229 L232 E236	D118-R122 WeakPolarHBondContact O-CG 3.45Å; D118-R122 PolarHBondContact O-N 3.14Å; I119-R122 PolarHBondContact O-N 3.08Å; R122-R125 PolarHBondContact O-N 2.99Å; R122-H126 WeakPolarHBondContact O-CB 3.42Å; R122-H126 PolarHBondContact O-N 3Å; R122-N229 PolarHBondContact NH1-OD1 3.38Å; R122-L232 HydrophobicContact CB-CD1 4.2Å; R122-E236 IonicContact CZ-OE1 2.67Å; R122-E236 IonicContact CZ-OE2 3.76Å; R122-E236 IonicContact NE-OE1 2.83Å; R122-E236 PolarHBondContact NE-OE1 2.84Å; R122-E236 IonicContact NE-OE2 3.69Å; R122-E236 IonicContact NH2-OE1 3.97Å; R122-E236 PolarHBondContact NH2-OE1 2.87Å; R122-E236 IonicContact NH2-OE2 3.85Å; R122-E236 PolarHBondContact NH2-OE2 2.92Å
123	L	97.8	Very high	96.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-51.2	175.1	172.8	62.5	0	0	0	111.5	L115 I119 Y120 R125 H126 L127 W160 V168 V172 L232	L115-L123 HydrophobicContact CD1-CD2 4.25Å; I119-L123 WeakPolarHBondContact O-CB 3.23Å; I119-L123 PolarHBondContact O-N 3.34Å; Y120-L123 PolarHBondContact O-N 2.9Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 3.2Å; L123-H126 WeakPolarHBondContact O-CB 3.26Å; L123-H126 PolarHBondContact O-N 3.42Å; L123-H126 VanDerWaalsContact O-N 3.09Å; L123-L127 HydrophobicContact CD1-CD1 3.99Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 2.67Å; L123-W160 HydrophobicContact CD2-CE3 3.78Å; L123-W160 HydrophobicContact CD2-CH2 4.26Å; L123-W160 HydrophobicContact CD2-CZ3 3.37Å; L123-W160 HydrophobicContact CG-CE3 4.28Å; L123-W160 HydrophobicContact CG-CH2 4.37Å; L123-W160 HydrophobicContact CG-CZ3 3.87Å; L123-V168 HydrophobicContact CD1-CG1 3.62Å; L123-V168 HydrophobicContact CD2-CG1 3.53Å; L123-V168 HydrophobicContact CG-CG1 4.21Å; L123-V172 HydrophobicContact CD1-CG2 3.67Å; L123-L232 HydrophobicContact CB-CD1 4.14Å; L123-L232 HydrophobicContact CB-CD2 4.38Å; L123-L232 HydrophobicContact CD1-CD2 4.19Å
124	K	97.9	Very high	96.7	Very high	94 Å²	94	62.7 Å²	62.7	41%	0.409	28%	0.276	S	S	.	.	H	α-helix	trans	-55.9	-48.8	178.4	-176.1	171	-177.4	168.1	0	111.3	Y120 R121 H126 L127 E128 W160	Y120-K124 HydrophobicContact CE1-CD 4.44Å; Y120-K124 WeakPolarHBondContact O-CB 3.27Å; Y120-K124 PolarHBondContact O-N 3.23Å; R121-K124 PolarHBondContact O-N 2.92Å; K124-H126 VanDerWaalsContact C-N 3.3Å; K124-H126 PolarHBondContact O-N 3.46Å; K124-L127 PolarHBondContact O-N 3.44Å; K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.16Å; K124-W160 HydrophobicContact CB-CH2 4.15Å; K124-W160 HydrophobicContact CB-CZ2 4.22Å; K124-W160 HydrophobicContact CG-CZ2 4.27Å
125	R	97.7	Very high	96.8	Very high	157 Å²	157	63.9 Å²	63.9	59%	0.592	29%	0.285	S	S	*	.	H	α-helix	trans	-59.9	-39.1	176.9	-176.9	176.9	62.7	-172	0.9	112.5	R121 R122 L123 Y129 E236	R121-R125 WeakPolarHBondContact O-CB 3.28Å; R121-R125 PolarHBondContact O-N 3.07Å; R122-R125 PolarHBondContact O-N 2.99Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 3.2Å; R125-Y129 PolarHBondContact O-N 3.48Å; R125-Y129 VanDerWaalsContact O-N 3.09Å; R125-E236 IonicContact NH2-OE1 3.38Å
126	H	97	Very high	96.8	Very high	5 Å²	5	67 Å²	67	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-43.9	176.8	177.9	63.5	0	0	0	112.1	R122 L123 K124 E128 Y129 V130 L232 R239	R122-H126 WeakPolarHBondContact O-CB 3.42Å; R122-H126 PolarHBondContact O-N 3Å; L123-H126 WeakPolarHBondContact O-CB 3.26Å; L123-H126 PolarHBondContact O-N 3.42Å; L123-H126 VanDerWaalsContact O-N 3.09Å; K124-H126 VanDerWaalsContact C-N 3.3Å; K124-H126 PolarHBondContact O-N 3.46Å; H126-E128 PolarHBondContact O-N 2.99Å; H126-Y129 WeakPolarHBondContact O-CB 3.44Å; H126-Y129 PolarHBondContact O-N 3.23Å; H126-V130 WeakPolarHBondContact O-CG2 3.48Å; H126-V130 PolarHBondContact O-N 3.37Å; H126-L232 HydrophobicContact CB-CD2 4.17Å; H126-R239 PolarHBondContact CE1-NH1 3.13Å; H126-R239 VanDerWaalsContact CE1-NH1 3.34Å; H126-R239 PolarHBondContact ND1-NH1 3.48Å
127	L	97.3	Very high	96.7	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-36	178	-66.1	177.2	0	0	0	112.5	L123 K124 V130 K131 F153 W160 M171 V172 L175	L123-L127 HydrophobicContact CD1-CD1 3.99Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 2.67Å; K124-L127 PolarHBondContact O-N 3.44Å; L127-V130 PolarHBondContact O-N 3.22Å; L127-K131 WeakPolarHBondContact O-CB 3.37Å; L127-K131 PolarHBondContact O-N 3.2Å; L127-F153 HydrophobicContact CB-CZ 4.44Å; L127-W160 HydrophobicContact CD1-CB 4.19Å; L127-W160 HydrophobicContact CD1-CD2 3.34Å; L127-W160 HydrophobicContact CD1-CE3 3.85Å; L127-W160 HydrophobicContact CD1-CG 3.49Å; L127-W160 VanDerWaalsContact CD1-CG 3.49Å; L127-W160 HydrophobicContact CD1-CZ2 4.13Å; L127-W160 HydrophobicContact CD1-CZ3 4.44Å; L127-M171 HydrophobicContact CD1-CE 4.23Å; L127-M171 HydrophobicContact CD2-CE 3.96Å; L127-V172 HydrophobicContact CD2-CG2 4.4Å; L127-L175 HydrophobicContact CD2-CD1 3.84Å
128	E	97.1	Very high	96.5	Very high	106 Å²	106	56.2 Å²	56.2	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-40.7	171.7	-68.3	-56.1	154.3	0	0	112	K124 H126 K131 L132	K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.16Å; H126-E128 PolarHBondContact O-N 2.99Å; E128-K131 PolarHBondContact O-N 2.81Å; E128-L132 PolarHBondContact O-N 3.07Å
129	Y	96.4	Very high	96.2	Very high	76 Å²	76	54.2 Å²	54.2	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-48.3	171.9	164.9	-90.6	0	0	0	111.5	R125 H126 K131 L132 M133 W137 R239	R125-Y129 PolarHBondContact O-N 3.48Å; R125-Y129 VanDerWaalsContact O-N 3.09Å; H126-Y129 WeakPolarHBondContact O-CB 3.44Å; H126-Y129 PolarHBondContact O-N 3.23Å; Y129-K131 VanDerWaalsContact C-N 3.29Å; Y129-K131 PolarHBondContact O-N 2.94Å; Y129-L132 WeakPolarHBondContact O-CB 3.08Å; Y129-L132 PolarHBondContact O-N 2.69Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; Y129-M133 HydrophobicContact CD1-CG 4.25Å; Y129-M133 HydrophobicContact CD2-CG 3.98Å; Y129-M133 HydrophobicContact CE1-CG 3.76Å; Y129-M133 HydrophobicContact CE2-CG 3.47Å; Y129-M133 VanDerWaalsContact CE2-CG 3.47Å; Y129-M133 HydrophobicContact CE2-SD 3.9Å; Y129-M133 HydrophobicContact CG-CG 4.35Å; Y129-M133 WeakPolarHBondContact O-CG 3.46Å; Y129-M133 PolarHBondContact O-N 2.82Å; Y129-W137 AromaticContact CE1-CH2 3.89Å; Y129-W137 HydrophobicContact CE1-CH2 3.89Å; Y129-W137 AromaticContact CE1-CZ2 3.97Å; Y129-W137 HydrophobicContact CE1-CZ2 3.97Å; Y129-R239 VanDerWaalsContact CD1-CD 3.43Å; Y129-R239 HydrophobicContact CE1-CG 3.86Å
130	V	96.2	Very high	95.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-44.7	178.3	165.1	0	0	0	0	110.8	H126 L127 L132 M133 M134 W137 F153 L175	H126-V130 WeakPolarHBondContact O-CG2 3.48Å; H126-V130 PolarHBondContact O-N 3.37Å; L127-V130 PolarHBondContact O-N 3.22Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.49Å; V130-M133 PolarHBondContact O-N 3.16Å; V130-M134 HydrophobicContact CG1-CE 3.83Å; V130-M134 WeakPolarHBondContact O-CB 3.35Å; V130-M134 PolarHBondContact O-N 3.11Å; V130-W137 HydrophobicContact CB-CZ3 4.43Å; V130-W137 HydrophobicContact CG1-CZ3 4.09Å; V130-W137 HydrophobicContact CG2-CH2 4.29Å; V130-W137 HydrophobicContact CG2-CZ3 4.29Å; V130-F153 HydrophobicContact CB-CE2 4.48Å; V130-F153 HydrophobicContact CG1-CD2 4.17Å; V130-F153 HydrophobicContact CG1-CE2 4.07Å; V130-L175 HydrophobicContact CG1-CB 4.16Å; V130-L175 HydrophobicContact CG1-CD1 4.35Å; V130-L175 HydrophobicContact CG1-CD2 4.16Å; V130-L175 HydrophobicContact CG1-CG 4.46Å; V130-L175 HydrophobicContact CG2-CB 4.36Å
131	K	96.3	Very high	95.5	Very high	80 Å²	80	63.5 Å²	63.5	35%	0.348	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-43.4	177.3	-170.9	176.6	177.6	-178.6	0	112	L127 E128 Y129 M134 F153	L127-K131 WeakPolarHBondContact O-CB 3.37Å; L127-K131 PolarHBondContact O-N 3.2Å; E128-K131 PolarHBondContact O-N 2.81Å; Y129-K131 VanDerWaalsContact C-N 3.29Å; Y129-K131 PolarHBondContact O-N 2.94Å; K131-M134 WeakPolarHBondContact O-CB 3.08Å; K131-F153 HydrophobicContact CB-CD2 3.86Å; K131-F153 HydrophobicContact CB-CE1 4.4Å; K131-F153 HydrophobicContact CB-CE2 3.7Å; K131-F153 HydrophobicContact CB-CG 4.28Å; K131-F153 HydrophobicContact CB-CZ 3.99Å; K131-F153 HydrophobicContact CD-CD1 4.15Å; K131-F153 HydrophobicContact CD-CE1 4.06Å; K131-F153 HydrophobicContact CD-CZ 4.38Å; K131-F153 HydrophobicContact CG-CD1 4.19Å; K131-F153 HydrophobicContact CG-CD2 4.19Å; K131-F153 HydrophobicContact CG-CE1 4.36Å; K131-F153 HydrophobicContact CG-CE2 4.36Å; K131-F153 HydrophobicContact CG-CG 4.11Å; K131-F153 HydrophobicContact CG-CZ 4.44Å
132	L	96.6	Very high	95.1	Very high	137 Å²	137	56.3 Å²	56.3	72%	0.717	28%	0.281	S	S	*	.	H	α-helix	trans	-63	-41.2	176.2	-172.5	90.9	0	0	0	112	E128 Y129 V130 P135	E128-L132 PolarHBondContact O-N 3.07Å; Y129-L132 WeakPolarHBondContact O-CB 3.08Å; Y129-L132 PolarHBondContact O-N 2.69Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; V130-L132 VanDerWaalsContact C-N 3.33Å; V130-L132 PolarHBondContact O-N 3.49Å; L132-P135 VanDerWaalsContact O-CD 3.29Å; L132-P135 WeakPolarHBondContact O-CD 3.11Å
133	M	95.9	Very high	94.6	Very high	49 Å²	49	60.1 Å²	60.1	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-79.2	-24.1	-177.1	-65.5	-55.9	-65	0	0	113.7	Y129 V130 P135 S136 W137	Y129-M133 HydrophobicContact CD1-CG 4.25Å; Y129-M133 HydrophobicContact CD2-CG 3.98Å; Y129-M133 HydrophobicContact CE1-CG 3.76Å; Y129-M133 HydrophobicContact CE2-CG 3.47Å; Y129-M133 VanDerWaalsContact CE2-CG 3.47Å; Y129-M133 HydrophobicContact CE2-SD 3.9Å; Y129-M133 HydrophobicContact CG-CG 4.35Å; Y129-M133 WeakPolarHBondContact O-CG 3.46Å; Y129-M133 PolarHBondContact O-N 2.82Å; V130-M133 PolarHBondContact O-N 3.16Å; M133-P135 VanDerWaalsContact C-N 3.33Å; M133-P135 VanDerWaalsContact O-N 3.13Å; M133-S136 WeakPolarHBondContact O-CA 3.15Å; M133-S136 WeakPolarHBondContact O-CB 3.28Å; M133-S136 PolarHBondContact O-N 3.04Å; M133-S136 PolarHBondContact O-OG 3.45Å; M133-W137 HydrophobicContact CB-CD2 3.83Å; M133-W137 VanDerWaalsContact CB-CE2 3.45Å; M133-W137 HydrophobicContact CB-CE3 4.12Å; M133-W137 HydrophobicContact CB-CH2 3.77Å; M133-W137 HydrophobicContact CB-CZ2 3.42Å; M133-W137 VanDerWaalsContact CB-CZ2 3.42Å; M133-W137 HydrophobicContact CB-CZ3 4.11Å; M133-W137 HydrophobicContact CG-CH2 4.31Å; M133-W137 HydrophobicContact CG-CZ2 3.83Å; M133-W137 PolarHBondContact O-N 3.22Å
134	M	94.4	Very high	94.1	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-44.6	-47.4	-175.8	-166.2	72.4	68.8	0	0	113.8	V130 K131 S136 W137 M138 A149 L152 F153 L175 I180	V130-M134 HydrophobicContact CG1-CE 3.83Å; V130-M134 WeakPolarHBondContact O-CB 3.35Å; V130-M134 PolarHBondContact O-N 3.11Å; K131-M134 WeakPolarHBondContact O-CB 3.08Å; M134-S136 VanDerWaalsContact C-N 3.3Å; M134-S136 PolarHBondContact O-N 3.49Å; M134-W137 PolarHBondContact O-N 3.34Å; M134-M138 HydrophobicContact CG-SD 4.36Å; M134-M138 VanDerWaalsContact O-CG 3.29Å; M134-M138 WeakPolarHBondContact O-CG 3.42Å; M134-M138 PolarHBondContact O-N 2.95Å; M134-M138 VanDerWaalsContact O-N 3.15Å; M134-A149 HydrophobicContact CB-CB 4.12Å; M134-A149 HydrophobicContact CG-CB 3.88Å; M134-L152 HydrophobicContact SD-CD2 4.1Å; M134-L152 HydrophobicContact SD-CG 4.32Å; M134-F153 HydrophobicContact CE-CB 3.86Å; M134-F153 HydrophobicContact CE-CD2 3.67Å; M134-F153 HydrophobicContact CE-CG 4.26Å; M134-L175 HydrophobicContact CE-CD2 4.47Å; M134-I180 HydrophobicContact CE-CD1 4Å; M134-I180 HydrophobicContact CE-CG1 4.42Å; M134-I180 HydrophobicContact SD-CB 4.36Å; M134-I180 HydrophobicContact SD-CD1 3.64Å; M134-I180 HydrophobicContact SD-CG1 3.76Å; M134-I180 HydrophobicContact SD-CG2 3.64Å
135	P	95.1	Very high	93.5	Very high	59 Å²	59	66 Å²	66	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-37.5	178.4	-21	33.4	0	0	0	113.4	L132 M133 R143 A149	L132-P135 VanDerWaalsContact O-CD 3.29Å; L132-P135 WeakPolarHBondContact O-CD 3.11Å; M133-P135 VanDerWaalsContact C-N 3.33Å; M133-P135 VanDerWaalsContact O-N 3.13Å; P135-R143 PolarHBondContact O-NH2 3.04Å; P135-A149 HydrophobicContact CB-CB 4.3Å; P135-A149 HydrophobicContact CG-CB 3.74Å
136	S	95.6	Very high	92.8	Very high	74 Å²	74	59.7 Å²	59.7	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-73.7	-27.9	-179.9	73.1	0	0	0	0	113.3	M133 M134	M133-S136 WeakPolarHBondContact O-CA 3.15Å; M133-S136 WeakPolarHBondContact O-CB 3.28Å; M133-S136 PolarHBondContact O-N 3.04Å; M133-S136 PolarHBondContact O-OG 3.45Å; M134-S136 VanDerWaalsContact C-N 3.3Å; M134-S136 PolarHBondContact O-N 3.49Å
137	W	94.6	Very high	92.3	Very high	16 Å²	16	60.5 Å²	60.5	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-82.4	-24.1	178.7	-63	-19.2	0	0	0	113.1	Y129 V130 M133 M134 L175 E177 I180 K181	Y129-W137 AromaticContact CE1-CH2 3.89Å; Y129-W137 HydrophobicContact CE1-CH2 3.89Å; Y129-W137 AromaticContact CE1-CZ2 3.97Å; Y129-W137 HydrophobicContact CE1-CZ2 3.97Å; V130-W137 HydrophobicContact CB-CZ3 4.43Å; V130-W137 HydrophobicContact CG1-CZ3 4.09Å; V130-W137 HydrophobicContact CG2-CH2 4.29Å; V130-W137 HydrophobicContact CG2-CZ3 4.29Å; M133-W137 HydrophobicContact CB-CD2 3.83Å; M133-W137 VanDerWaalsContact CB-CE2 3.45Å; M133-W137 HydrophobicContact CB-CE3 4.12Å; M133-W137 HydrophobicContact CB-CH2 3.77Å; M133-W137 HydrophobicContact CB-CZ2 3.42Å; M133-W137 VanDerWaalsContact CB-CZ2 3.42Å; M133-W137 HydrophobicContact CB-CZ3 4.11Å; M133-W137 HydrophobicContact CG-CH2 4.31Å; M133-W137 HydrophobicContact CG-CZ2 3.83Å; M133-W137 PolarHBondContact O-N 3.22Å; M134-W137 PolarHBondContact O-N 3.34Å; W137-L175 WeakPolarHBondContact CZ3-O 3.35Å; W137-E177 HydrophobicContact CB-CB 4.43Å; W137-E177 HydrophobicContact CB-CG 4.09Å; W137-E177 VanDerWaalsContact CD1-CG 3.42Å; W137-E177 HydrophobicContact CD2-CB 3.98Å; W137-E177 HydrophobicContact CD2-CG 4.48Å; W137-E177 HydrophobicContact CG-CB 3.79Å; W137-E177 HydrophobicContact CG-CG 3.77Å; W137-I180 HydrophobicContact CB-CB 4.14Å; W137-I180 HydrophobicContact CB-CG2 3.86Å; W137-I180 HydrophobicContact CE3-CB 4.47Å; W137-I180 HydrophobicContact CE3-CG1 4.02Å; W137-K181 WeakPolarHBondContact O-CG 3.45Å
138	M	92.8	Very high	92	Very high	11 Å²	11	67.8 Å²	67.8	5%	0.054	36%	0.358	C	S	.	.	S	Bend	trans	-71.1	143.2	179.5	-71.1	176.2	80.7	0	0	113.2	M134 Q142 L147 A149 L152 I180	M134-M138 HydrophobicContact CG-SD 4.36Å; M134-M138 VanDerWaalsContact O-CG 3.29Å; M134-M138 WeakPolarHBondContact O-CG 3.42Å; M134-M138 PolarHBondContact O-N 2.95Å; M134-M138 VanDerWaalsContact O-N 3.15Å; M138-Q142 VanDerWaalsContact CA-OE1 3.3Å; M138-Q142 HydrophobicContact CE-CB 4.26Å; M138-L147 HydrophobicContact CE-CB 4Å; M138-L147 WeakPolarHBondContact CE-O 3.44Å; M138-A149 WeakPolarHBondContact SD-CA 3.44Å; M138-A149 HydrophobicContact SD-CB 3.75Å; M138-A149 PolarHBondContact SD-N 2.86Å; M138-L152 HydrophobicContact CE-CD2 4.14Å; M138-L152 HydrophobicContact CG-CD2 4.16Å; M138-L152 HydrophobicContact SD-CD2 4.29Å; M138-I180 HydrophobicContact CG-CG2 4.06Å
139	T	91.7	Very high	91.8	Very high	39 Å²	39	63.7 Å²	63.7	24%	0.239	34%	0.343	C	S	.	.			trans	-82.9	156.6	176.1	71.9	0	0	0	0	112	D141 Q142 R143 K181	T139-D141 VanDerWaalsContact C-N 3.25Å; T139-D141 PolarHBondContact O-N 3.36Å; T139-Q142 PolarHBondContact O-N 3.27Å; T139-Q142 VanDerWaalsContact OG1-CG 3.31Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.41Å; T139-Q142 PolarHBondContact OG1-N 3.37Å; T139-Q142 PolarHBondContact OG1-OE1 3.31Å; T139-R143 PolarHBondContact O-N 2.75Å; T139-K181 HydrophobicContact CG2-CB 4.15Å; T139-K181 HydrophobicContact CG2-CG 4.05Å
140	P	91.1	Very high	91.6	Very high	102 Å²	102	64.8 Å²	64.8	66%	0.662	35%	0.354	S	S	*	.	H	α-helix	trans	-56.2	-39.1	172.4	-26.2	35.7	0	0	0	113.1	Q142 R143 G144	P140-Q142 VanDerWaalsContact C-N 3.35Å; P140-Q142 PolarHBondContact O-N 3Å; P140-R143 WeakPolarHBondContact O-CB 3.41Å; P140-R143 PolarHBondContact O-N 3.47Å; P140-R143 VanDerWaalsContact O-N 3.17Å; P140-G144 PolarHBondContact O-N 3.24Å
141	D	88.4	Confident	91.3	Very high	119 Å²	119	67.4 Å²	67.4	64%	0.636	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-38.4	-179	-65.5	-10.6	0	0	0	112.4	T139 R143 G144 K145	T139-D141 VanDerWaalsContact C-N 3.25Å; T139-D141 PolarHBondContact O-N 3.36Å; D141-R143 VanDerWaalsContact C-N 3.32Å; D141-R143 PolarHBondContact O-N 3.07Å; D141-G144 PolarHBondContact O-N 3.25Å; D141-K145 WeakPolarHBondContact O-CG 3.42Å; D141-K145 PolarHBondContact O-N 3.19Å
142	Q	89.8	Confident	91.1	Very high	7 Å²	7	63.6 Å²	63.6	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-43.3	174.7	-73.3	171.7	-40.4	0	0	111.1	M138 T139 P140 K145 G146 L147 I180 K181 R183	M138-Q142 VanDerWaalsContact CA-OE1 3.3Å; M138-Q142 HydrophobicContact CE-CB 4.26Å; T139-Q142 PolarHBondContact O-N 3.27Å; T139-Q142 VanDerWaalsContact OG1-CG 3.31Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.41Å; T139-Q142 PolarHBondContact OG1-N 3.37Å; T139-Q142 PolarHBondContact OG1-OE1 3.31Å; P140-Q142 VanDerWaalsContact C-N 3.35Å; P140-Q142 PolarHBondContact O-N 3Å; Q142-K145 PolarHBondContact O-N 3.49Å; Q142-G146 PolarHBondContact O-N 3.1Å; Q142-L147 HydrophobicContact CB-CB 4.34Å; Q142-L147 HydrophobicContact CB-CD1 4.2Å; Q142-L147 HydrophobicContact CG-CD1 4.27Å; Q142-L147 WeakPolarHBondContact O-CB 3.31Å; Q142-L147 PolarHBondContact O-N 2.84Å; Q142-I180 PolarHBondContact NE2-O 2.93Å; Q142-K181 PolarHBondContact NE2-O 2.69Å; Q142-R183 PolarHBondContact NE2-O 2.94Å
143	R	87.6	Confident	90.9	Very high	129 Å²	129	57.8 Å²	57.8	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-40.3	176.8	-59.8	178.9	-167.7	166.7	3	111.5	P135 T139 P140 D141 K145 G146	P135-R143 PolarHBondContact O-NH2 3.04Å; T139-R143 PolarHBondContact O-N 2.75Å; P140-R143 WeakPolarHBondContact O-CB 3.41Å; P140-R143 PolarHBondContact O-N 3.47Å; P140-R143 VanDerWaalsContact O-N 3.17Å; D141-R143 VanDerWaalsContact C-N 3.32Å; D141-R143 PolarHBondContact O-N 3.07Å; R143-K145 PolarHBondContact O-N 3.29Å; R143-G146 PolarHBondContact O-N 2.67Å
144	G	86.1	Confident	90.7	Very high	72 Å²	72	59.9 Å²	59.9	74%	0.742	33%	0.329	S	S	*	.	H	α-helix	trans	-60.4	-30.1	174.5	0	0	0	0	0	113.4	P140 D141 G146	P140-G144 PolarHBondContact O-N 3.24Å; D141-G144 PolarHBondContact O-N 3.25Å; G144-G146 VanDerWaalsContact C-N 3.27Å; G144-G146 PolarHBondContact O-N 2.89Å
145	K	85.3	Confident	90.4	Very high	145 Å²	145	60.7 Å²	60.7	63%	0.63	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	5.3	173.4	-67.3	172.5	-178.1	178.4	0	113.9	D141 Q142 R143	D141-K145 WeakPolarHBondContact O-CG 3.42Å; D141-K145 PolarHBondContact O-N 3.19Å; Q142-K145 PolarHBondContact O-N 3.49Å; R143-K145 PolarHBondContact O-N 3.29Å
146	G	84.4	Confident	90.1	Very high	25 Å²	25	58.5 Å²	58.5	26%	0.258	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	18.3	179.2	0	0	0	0	0	114.8	Q142 R143 G144 Y148	Q142-G146 PolarHBondContact O-N 3.1Å; R143-G146 PolarHBondContact O-N 2.67Å; G144-G146 VanDerWaalsContact C-N 3.27Å; G144-G146 PolarHBondContact O-N 2.89Å; G146-Y148 WeakPolarHBondContact O-CD2 3.46Å; G146-Y148 WeakPolarHBondContact O-CE2 3.48Å
147	L	86.4	Confident	90	Very high	21 Å²	21	55 Å²	55	11%	0.11	30%	0.296	C	S	.	.			trans	-84.5	120.4	168.6	-58.5	174.5	0	0	0	108.9	M138 Q142 Y151	M138-L147 HydrophobicContact CE-CB 4Å; M138-L147 WeakPolarHBondContact CE-O 3.44Å; Q142-L147 HydrophobicContact CB-CB 4.34Å; Q142-L147 HydrophobicContact CB-CD1 4.2Å; Q142-L147 HydrophobicContact CG-CD1 4.27Å; Q142-L147 WeakPolarHBondContact O-CB 3.31Å; Q142-L147 PolarHBondContact O-N 2.84Å; L147-Y151 HydrophobicContact CD2-CD1 4.09Å; L147-Y151 HydrophobicContact CD2-CE1 3.81Å
148	Y	90.9	Very high	89.8	Confident	155 Å²	155	55.2 Å²	55.2	61%	0.608	30%	0.304	S	S	*	.			trans	-107.8	154.2	175.3	-56.8	-77.1	0	0	0	110.7	G146 D150 Y151 L152	G146-Y148 WeakPolarHBondContact O-CD2 3.46Å; G146-Y148 WeakPolarHBondContact O-CE2 3.48Å; Y148-D150 PolarHBondContact O-N 3.43Å; Y148-Y151 WeakPolarHBondContact O-CB 3.33Å; Y148-Y151 PolarHBondContact O-N 3.09Å; Y148-Y151 VanDerWaalsContact O-N 3.15Å; Y148-L152 WeakPolarHBondContact O-CB 3.23Å; Y148-L152 PolarHBondContact O-N 3.07Å
149	A	92.8	Very high	89.7	Confident	20 Å²	20	60.8 Å²	60.8	17%	0.165	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-48.7	-174.6	0	0	0	0	0	113.1	M134 P135 M138 Y151 L152 F153	M134-A149 HydrophobicContact CB-CB 4.12Å; M134-A149 HydrophobicContact CG-CB 3.88Å; P135-A149 HydrophobicContact CB-CB 4.3Å; P135-A149 HydrophobicContact CG-CB 3.74Å; M138-A149 WeakPolarHBondContact SD-CA 3.44Å; M138-A149 HydrophobicContact SD-CB 3.75Å; M138-A149 PolarHBondContact SD-N 2.86Å; A149-Y151 VanDerWaalsContact C-N 3.32Å; A149-Y151 PolarHBondContact O-N 2.83Å; A149-L152 PolarHBondContact O-N 2.93Å; A149-F153 WeakPolarHBondContact O-CB 3.15Å; A149-F153 PolarHBondContact O-N 3.36Å
150	D	91.9	Very high	89.9	Confident	100 Å²	100	60.2 Å²	60.2	54%	0.535	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-38.1	178.1	-69.5	-43.9	0	0	0	112.3	Y148 N154	Y148-D150 PolarHBondContact O-N 3.43Å; D150-N154 VanDerWaalsContact O-CB 3.24Å; D150-N154 WeakPolarHBondContact O-CB 3.23Å; D150-N154 PolarHBondContact O-N 2.67Å; D150-N154 PolarHBondContact O-ND2 3.03Å; D150-N154 VanDerWaalsContact O-ND2 3.12Å
151	Y	90.6	Very high	90.1	Very high	55 Å²	55	58.9 Å²	58.9	22%	0.216	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-49.2	176.2	173	-99.4	0	0	0	111	L147 Y148 A149 N154 A155 R437 D441	L147-Y151 HydrophobicContact CD2-CD1 4.09Å; L147-Y151 HydrophobicContact CD2-CE1 3.81Å; Y148-Y151 WeakPolarHBondContact O-CB 3.33Å; Y148-Y151 PolarHBondContact O-N 3.09Å; Y148-Y151 VanDerWaalsContact O-N 3.15Å; A149-Y151 VanDerWaalsContact C-N 3.32Å; A149-Y151 PolarHBondContact O-N 2.83Å; Y151-N154 PolarHBondContact O-N 2.69Å; Y151-A155 WeakPolarHBondContact O-CB 3.21Å; Y151-A155 PolarHBondContact O-N 2.71Å; Y151-R437 HydrophobicContact CE2-CB 3.78Å; Y151-D441 WeakPolarHBondContact OH-CB 3.28Å
152	L	90.8	Very high	90.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-44.1	179.6	-176.4	58	0	0	0	111.3	M134 M138 Y148 A149 A155 I156 I180 R183 L442	M134-L152 HydrophobicContact SD-CD2 4.1Å; M134-L152 HydrophobicContact SD-CG 4.32Å; M138-L152 HydrophobicContact CE-CD2 4.14Å; M138-L152 HydrophobicContact CG-CD2 4.16Å; M138-L152 HydrophobicContact SD-CD2 4.29Å; Y148-L152 WeakPolarHBondContact O-CB 3.23Å; Y148-L152 PolarHBondContact O-N 3.07Å; A149-L152 PolarHBondContact O-N 2.93Å; L152-A155 PolarHBondContact O-N 2.96Å; L152-I156 HydrophobicContact CD1-CD1 3.81Å; L152-I156 HydrophobicContact CD1-CG1 4.37Å; L152-I156 HydrophobicContact CG-CD1 4.05Å; L152-I156 WeakPolarHBondContact O-CG1 3.21Å; L152-I156 PolarHBondContact O-N 3.49Å; L152-I156 VanDerWaalsContact O-N 3.1Å; L152-I180 HydrophobicContact CD2-CG2 3.99Å; L152-R183 HydrophobicContact CD1-CB 3.96Å; L152-R183 HydrophobicContact CD1-CG 4.12Å; L152-R183 HydrophobicContact CD2-CB 4.28Å; L152-R183 HydrophobicContact CD2-CG 4.49Å; L152-L442 HydrophobicContact CD1-CD2 3.47Å; L152-L442 VanDerWaalsContact CD1-CD2 3.47Å
153	F	93.4	Very high	90.7	Very high	14 Å²	14	58.1 Å²	58.1	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-51.3	175.1	-178.3	-92.2	0	0	0	111.5	L127 V130 K131 M134 A149 A155 I156 A157	L127-F153 HydrophobicContact CB-CZ 4.44Å; V130-F153 HydrophobicContact CB-CE2 4.48Å; V130-F153 HydrophobicContact CG1-CD2 4.17Å; V130-F153 HydrophobicContact CG1-CE2 4.07Å; K131-F153 HydrophobicContact CB-CD2 3.86Å; K131-F153 HydrophobicContact CB-CE1 4.4Å; K131-F153 HydrophobicContact CB-CE2 3.7Å; K131-F153 HydrophobicContact CB-CG 4.28Å; K131-F153 HydrophobicContact CB-CZ 3.99Å; K131-F153 HydrophobicContact CD-CD1 4.15Å; K131-F153 HydrophobicContact CD-CE1 4.06Å; K131-F153 HydrophobicContact CD-CZ 4.38Å; K131-F153 HydrophobicContact CG-CD1 4.19Å; K131-F153 HydrophobicContact CG-CD2 4.19Å; K131-F153 HydrophobicContact CG-CE1 4.36Å; K131-F153 HydrophobicContact CG-CE2 4.36Å; K131-F153 HydrophobicContact CG-CG 4.11Å; K131-F153 HydrophobicContact CG-CZ 4.44Å; M134-F153 HydrophobicContact CE-CB 3.86Å; M134-F153 HydrophobicContact CE-CD2 3.67Å; M134-F153 HydrophobicContact CE-CG 4.26Å; A149-F153 WeakPolarHBondContact O-CB 3.15Å; A149-F153 PolarHBondContact O-N 3.36Å; F153-A155 VanDerWaalsContact C-N 3.27Å; F153-A155 PolarHBondContact O-N 2.79Å; F153-I156 PolarHBondContact O-N 3.47Å; F153-A157 HydrophobicContact CD2-CB 4.47Å; F153-A157 HydrophobicContact CE1-CB 4.32Å; F153-A157 HydrophobicContact CE2-CB 4.08Å; F153-A157 HydrophobicContact CZ-CB 4Å; F153-A157 WeakPolarHBondContact O-CA 3.36Å; F153-A157 PolarHBondContact O-N 3.1Å
154	N	91.9	Very high	91	Very high	93 Å²	93	55.9 Å²	55.9	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-32.4	-179.6	-72.6	-27	0	0	0	112.3	D150 Y151 I156 G158	D150-N154 VanDerWaalsContact O-CB 3.24Å; D150-N154 WeakPolarHBondContact O-CB 3.23Å; D150-N154 PolarHBondContact O-N 2.67Å; D150-N154 PolarHBondContact O-ND2 3.03Å; D150-N154 VanDerWaalsContact O-ND2 3.12Å; Y151-N154 PolarHBondContact O-N 2.69Å; N154-I156 VanDerWaalsContact C-N 3.35Å; N154-G158 WeakPolarHBondContact O-CA 3.31Å; N154-G158 PolarHBondContact O-N 2.97Å
155	A	87.9	Confident	91.4	Very high	19 Å²	19	53 Å²	53	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-71.8	-29.2	177.6	0	0	0	0	0	112.3	Y151 L152 F153 F439 L442	Y151-A155 WeakPolarHBondContact O-CB 3.21Å; Y151-A155 PolarHBondContact O-N 2.71Å; L152-A155 PolarHBondContact O-N 2.96Å; F153-A155 VanDerWaalsContact C-N 3.27Å; F153-A155 PolarHBondContact O-N 2.79Å; A155-F439 VanDerWaalsContact O-CD2 3.24Å; A155-F439 WeakPolarHBondContact O-CD2 3.13Å; A155-L442 HydrophobicContact CB-CD1 3.36Å; A155-L442 HydrophobicContact CB-CD2 3.94Å; A155-L442 HydrophobicContact CB-CG 3.6Å
156	I	88.5	Confident	91.7	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.062	23%	0.231	C	C	.	.	H	α-helix	trans	-91	-52.1	177.7	-59.2	166.9	0	0	0	111.7	L152 F153 N154 K163 M171 L175 I180 R183 L442	L152-I156 HydrophobicContact CD1-CD1 3.81Å; L152-I156 HydrophobicContact CD1-CG1 4.37Å; L152-I156 HydrophobicContact CG-CD1 4.05Å; L152-I156 WeakPolarHBondContact O-CG1 3.21Å; L152-I156 PolarHBondContact O-N 3.49Å; L152-I156 VanDerWaalsContact O-N 3.1Å; F153-I156 PolarHBondContact O-N 3.47Å; N154-I156 VanDerWaalsContact C-N 3.35Å; I156-K163 PolarHBondContact O-NZ 3.32Å; I156-M171 HydrophobicContact CG2-CG 4.25Å; I156-L175 HydrophobicContact CB-CD2 4.22Å; I156-L175 HydrophobicContact CD1-CD2 4.23Å; I156-L175 HydrophobicContact CG2-CD2 3.61Å; I156-L175 HydrophobicContact CG2-CG 4.23Å; I156-I180 HydrophobicContact CD1-CD1 3.79Å; I156-R183 HydrophobicContact CD1-CG 4.28Å; I156-L442 HydrophobicContact CG1-CD1 3.8Å
157	A	93.1	Very high	92.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-113.1	7.1	-169.2	0	0	0	0	0	113.9	F153 W160 M171 L175	F153-A157 HydrophobicContact CD2-CB 4.47Å; F153-A157 HydrophobicContact CE1-CB 4.32Å; F153-A157 HydrophobicContact CE2-CB 4.08Å; F153-A157 HydrophobicContact CZ-CB 4Å; F153-A157 WeakPolarHBondContact O-CA 3.36Å; F153-A157 PolarHBondContact O-N 3.1Å; A157-W160 WeakPolarHBondContact O-CB 3.18Å; A157-W160 VanDerWaalsContact O-CD1 3.32Å; A157-W160 PolarHBondContact O-N 3.1Å; A157-M171 VanDerWaalsContact CA-SD 3.58Å; A157-M171 HydrophobicContact CB-CE 4.23Å; A157-M171 HydrophobicContact CB-SD 3.79Å; A157-L175 HydrophobicContact CB-CD1 4.21Å
158	G	90.3	Very high	92.5	Very high	22 Å²	22	45.6 Å²	45.6	23%	0.227	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	142.6	171.7	0	0	0	0	0	111.2	N154 W160	N154-G158 WeakPolarHBondContact O-CA 3.31Å; N154-G158 PolarHBondContact O-N 2.97Å; G158-W160 PolarHBondContact O-N 3.42Å
159	N	91.6	Very high	92.6	Very high	128 Å²	128	38.3 Å²	38.3	68%	0.684	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.2	-178.9	-57.4	-31.4	0	0	0	114	E161 R162	N159-E161 PolarHBondContact O-N 3.39Å; N159-R162 PolarHBondContact O-N 2.87Å
160	W	95	Very high	92.5	Very high	27 Å²	27	38.8 Å²	38.8	10%	0.102	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-53.8	-31.8	-179.5	66.4	-91.8	0	0	0	112.6	L111 Y120 L123 K124 L127 A157 G158 R162 K163 M171	L111-W160 HydrophobicContact CD1-CE3 3.77Å; L111-W160 HydrophobicContact CD1-CZ3 3.99Å; L111-W160 WeakPolarHBondContact CD1-O 3.22Å; Y120-W160 HydrophobicContact CD2-CH2 4.14Å; Y120-W160 HydrophobicContact CD2-CZ3 4.23Å; Y120-W160 AromaticContact CE2-CH2 3.56Å; Y120-W160 HydrophobicContact CE2-CH2 3.56Å; Y120-W160 AromaticContact CE2-CZ3 3.9Å; Y120-W160 HydrophobicContact CE2-CZ3 3.9Å; L123-W160 HydrophobicContact CD2-CE3 3.78Å; L123-W160 HydrophobicContact CD2-CH2 4.26Å; L123-W160 HydrophobicContact CD2-CZ3 3.37Å; L123-W160 HydrophobicContact CG-CE3 4.28Å; L123-W160 HydrophobicContact CG-CH2 4.37Å; L123-W160 HydrophobicContact CG-CZ3 3.87Å; K124-W160 HydrophobicContact CB-CH2 4.15Å; K124-W160 HydrophobicContact CB-CZ2 4.22Å; K124-W160 HydrophobicContact CG-CZ2 4.27Å; L127-W160 HydrophobicContact CD1-CB 4.19Å; L127-W160 HydrophobicContact CD1-CD2 3.34Å; L127-W160 HydrophobicContact CD1-CE3 3.85Å; L127-W160 HydrophobicContact CD1-CG 3.49Å; L127-W160 VanDerWaalsContact CD1-CG 3.49Å; L127-W160 HydrophobicContact CD1-CZ2 4.13Å; L127-W160 HydrophobicContact CD1-CZ3 4.44Å; A157-W160 WeakPolarHBondContact O-CB 3.18Å; A157-W160 VanDerWaalsContact O-CD1 3.32Å; A157-W160 PolarHBondContact O-N 3.1Å; G158-W160 PolarHBondContact O-N 3.42Å; W160-R162 PolarHBondContact O-N 3.5Å; W160-R162 VanDerWaalsContact O-N 3.1Å; W160-K163 WeakPolarHBondContact O-CB 3.25Å; W160-K163 PolarHBondContact O-N 2.98Å; W160-M171 HydrophobicContact CB-CE 3.88Å; W160-M171 HydrophobicContact CB-SD 4.29Å
161	E	96.3	Very high	92.5	Very high	74 Å²	74	34.5 Å²	34.5	35%	0.346	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-60.7	-18.4	177.3	-61.5	-169.6	130.3	0	0	114.3	N110 L111 Y120 N159	N110-E161 CarbonylContact C-O 3.59Å; N110-E161 WeakPolarHBondContact CA-O 3.32Å; L111-E161 PolarHBondContact N-O 2.85Å; Y120-E161 PolarHBondContact OH-OE1 3.15Å; N159-E161 PolarHBondContact O-N 3.39Å
162	R	95.3	Very high	92.6	Very high	91 Å²	91	31.9 Å²	31.9	34%	0.343	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-102.4	-3.8	178.2	-64	-61.4	-51.6	-64.8	-5.1	112.9	M104 L105 P106 E109 N159 W160	M104-R162 WeakPolarHBondContact CA-O 3.32Å; M104-R162 HydrophobicContact CE-CB 3.4Å; L105-R162 PolarHBondContact N-O 3.25Å; P106-R162 PolarHBondContact O-NH2 2.9Å; E109-R162 WeakPolarHBondContact O-CD 3.34Å; E109-R162 PolarHBondContact O-NE 3.16Å; N159-R162 PolarHBondContact O-N 2.87Å; W160-R162 PolarHBondContact O-N 3.5Å; W160-R162 VanDerWaalsContact O-N 3.1Å
163	K	94.1	Very high	92.5	Very high	19 Å²	19	33.6 Å²	33.6	8%	0.083	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-80.2	150	175.9	-64.5	-168.6	178.1	-155.9	0	110.4	Q103 M104 L111 I156 W160 V168 M171	Q103-K163 CarbonylContact O-C 3.55Å; Q103-K163 WeakPolarHBondContact O-CA 3.45Å; Q103-K163 VanDerWaalsContact OE1-NZ 3.09Å; M104-K163 HydrophobicContact SD-CG 4.1Å; L111-K163 VanDerWaalsContact CD2-O 3.24Å; L111-K163 WeakPolarHBondContact CD2-O 3.32Å; L111-K163 VanDerWaalsContact CG-O 3.3Å; L111-K163 WeakPolarHBondContact CG-O 3.43Å; I156-K163 PolarHBondContact O-NZ 3.32Å; W160-K163 WeakPolarHBondContact O-CB 3.25Å; W160-K163 PolarHBondContact O-N 2.98Å; K163-V168 HydrophobicContact CB-CG2 3.8Å; K163-M171 HydrophobicContact CD-SD 4.35Å
164	R	94.4	Very high	92.2	Very high	82 Å²	82	34.5 Å²	34.5	31%	0.309	18%	0.175	S	C	.	.			trans	-67	151.5	172.2	-52.6	170	164.5	-107.9	-4.1	109.5	Q103 M104 L105 V166 W167 V168 N217	Q103-R164 PolarHBondContact O-N 2.82Å; M104-R164 WeakPolarHBondContact O-CG 3.44Å; M104-R164 PolarHBondContact O-NE 3.39Å; L105-R164 HydrophobicContact CD2-CB 4.39Å; L105-R164 HydrophobicContact CD2-CG 4.05Å; L105-R164 HydrophobicContact CG-CG 4.23Å; R164-V166 VanDerWaalsContact C-N 3.29Å; R164-V166 HydrophobicContact CB-CG1 4.48Å; R164-V166 PolarHBondContact O-N 3.07Å; R164-W167 PolarHBondContact O-N 2.83Å; R164-V168 PolarHBondContact O-N 3.25Å; R164-V168 VanDerWaalsContact O-N 3.16Å; R164-N217 WeakPolarHBondContact CD-OD1 3.4Å
165	P	94.1	Very high	92	Very high	11 Å²	11	30.1 Å²	30.1	7%	0.071	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-28.1	-169.8	-8.8	17.3	0	0	0	114.5	L111 V114 L115 W167 V168 M169 V224 L228	L111-P165 HydrophobicContact CD2-CB 3.98Å; L111-P165 HydrophobicContact CD2-CG 3.64Å; V114-P165 HydrophobicContact CG1-CG 3.8Å; L115-P165 HydrophobicContact CD2-CB 3.9Å; L115-P165 HydrophobicContact CD2-CG 4.08Å; P165-W167 VanDerWaalsContact C-N 3.34Å; P165-W167 PolarHBondContact O-N 3.05Å; P165-V168 PolarHBondContact O-N 3.37Å; P165-M169 PolarHBondContact O-N 3Å; P165-V224 HydrophobicContact CB-CG1 3.62Å; P165-V224 HydrophobicContact CG-CG1 4.29Å; P165-L228 HydrophobicContact CB-CD2 4.44Å
166	V	92.8	Very high	92	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-39.5	172.7	66.9	0	0	0	0	112.2	R164 M169 L170 L216 V224	R164-V166 VanDerWaalsContact C-N 3.29Å; R164-V166 HydrophobicContact CB-CG1 4.48Å; R164-V166 PolarHBondContact O-N 3.07Å; V166-M169 HydrophobicContact CG2-CE 4.21Å; V166-M169 WeakPolarHBondContact O-CB 3.41Å; V166-M169 PolarHBondContact O-N 3.38Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.44Å; V166-L170 VanDerWaalsContact O-N 3.07Å; V166-L216 HydrophobicContact CG1-CB 4.45Å; V166-L216 WeakPolarHBondContact CG1-O 3.45Å; V166-L216 HydrophobicContact CG2-CB 4.42Å; V166-V224 HydrophobicContact CB-CG1 4.13Å; V166-V224 HydrophobicContact CB-CG2 4.4Å
167	W	92.9	Very high	92	Very high	32 Å²	32	34.1 Å²	34.1	12%	0.121	17%	0.169	C	C	.	.	H	α-helix	trans	-73.4	-31	178.1	-69.8	104.4	0	0	0	112.1	Q103 R164 P165 L170 M171 L216 N217	Q103-W167 HydrophobicContact CB-CB 4.33Å; Q103-W167 HydrophobicContact CB-CD2 4.13Å; Q103-W167 HydrophobicContact CB-CG 3.96Å; Q103-W167 HydrophobicContact CG-CB 4.47Å; Q103-W167 HydrophobicContact CG-CD2 3.54Å; Q103-W167 HydrophobicContact CG-CE3 3.68Å; Q103-W167 HydrophobicContact CG-CG 3.9Å; Q103-W167 HydrophobicContact CG-CH2 4.2Å; Q103-W167 HydrophobicContact CG-CZ2 4.1Å; Q103-W167 HydrophobicContact CG-CZ3 4.01Å; R164-W167 PolarHBondContact O-N 2.83Å; P165-W167 VanDerWaalsContact C-N 3.34Å; P165-W167 PolarHBondContact O-N 3.05Å; W167-L170 HydrophobicContact CE3-CD1 4.01Å; W167-L170 HydrophobicContact CZ3-CD1 4.26Å; W167-M171 WeakPolarHBondContact O-CB 3.43Å; W167-M171 PolarHBondContact O-N 3.12Å; W167-L216 HydrophobicContact CD2-CD1 4.43Å; W167-L216 HydrophobicContact CE3-CD1 4.25Å; W167-L216 HydrophobicContact CH2-CD1 3.3Å; W167-L216 HydrophobicContact CZ2-CB 4.23Å; W167-L216 HydrophobicContact CZ2-CD1 3.48Å; W167-L216 VanDerWaalsContact CZ2-CD1 3.48Å; W167-L216 HydrophobicContact CZ2-CG 4.49Å; W167-L216 HydrophobicContact CZ3-CD1 3.71Å; W167-N217 PolarHBondContact NE1-OD1 3.45Å; W167-N217 VanDerWaalsContact NE1-OD1 3.12Å
168	V	94.5	Very high	91.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-41.5	170.3	171.6	0	0	0	0	111.5	L111 L123 K163 R164 P165 M171 V172 L228	L111-V168 HydrophobicContact CD1-CG2 3.56Å; L123-V168 HydrophobicContact CD1-CG1 3.62Å; L123-V168 HydrophobicContact CD2-CG1 3.53Å; L123-V168 HydrophobicContact CG-CG1 4.21Å; K163-V168 HydrophobicContact CB-CG2 3.8Å; R164-V168 PolarHBondContact O-N 3.25Å; R164-V168 VanDerWaalsContact O-N 3.16Å; P165-V168 PolarHBondContact O-N 3.37Å; V168-M171 HydrophobicContact CG1-CE 4.19Å; V168-M171 PolarHBondContact O-N 3.44Å; V168-V172 HydrophobicContact CG1-CG2 4.25Å; V168-V172 WeakPolarHBondContact O-CB 3.39Å; V168-V172 VanDerWaalsContact O-CG2 3.27Å; V168-V172 WeakPolarHBondContact O-CG2 3.44Å; V168-V172 PolarHBondContact O-N 2.79Å; V168-L228 HydrophobicContact CG1-CD1 4.23Å
169	M	92.1	Very high	91.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-48.7	174.9	176.4	-153.8	76.7	0	0	111.3	P165 V166 V172 N173 A227 L228 T231 P274 F276	P165-M169 PolarHBondContact O-N 3Å; V166-M169 HydrophobicContact CG2-CE 4.21Å; V166-M169 WeakPolarHBondContact O-CB 3.41Å; V166-M169 PolarHBondContact O-N 3.38Å; M169-V172 PolarHBondContact O-N 3.15Å; M169-N173 PolarHBondContact O-N 2.8Å; M169-N173 PolarHBondContact O-ND2 3.47Å; M169-A227 HydrophobicContact SD-CB 3.43Å; M169-A227 WeakPolarHBondContact SD-CB 3.43Å; M169-L228 HydrophobicContact CB-CB 4.45Å; M169-L228 HydrophobicContact CB-CD1 4.06Å; M169-T231 HydrophobicContact CG-CG2 4.23Å; M169-T231 WeakPolarHBondContact CG-OG1 3.28Å; M169-P274 HydrophobicContact CE-CG 4.43Å; M169-F276 HydrophobicContact CE-CZ 4.3Å; M169-F276 HydrophobicContact SD-CE1 4.42Å; M169-F276 HydrophobicContact SD-CE2 4.36Å; M169-F276 HydrophobicContact SD-CZ 3.59Å; M169-F276 VanDerWaalsContact SD-CZ 3.59Å
170	L	90.8	Very high	91.2	Very high	31 Å²	31	32 Å²	32	16%	0.162	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-45.6	175.3	-65.4	-179.3	0	0	0	112.1	V166 W167 V172 N173 S174 L216 Q272 V273	V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.44Å; V166-L170 VanDerWaalsContact O-N 3.07Å; W167-L170 HydrophobicContact CE3-CD1 4.01Å; W167-L170 HydrophobicContact CZ3-CD1 4.26Å; L170-V172 PolarHBondContact O-N 3.02Å; L170-N173 PolarHBondContact O-N 2.88Å; L170-S174 PolarHBondContact O-N 3.36Å; L170-L216 HydrophobicContact CD1-CD1 3.81Å; L170-L216 HydrophobicContact CD1-CD2 4Å; L170-Q272 WeakPolarHBondContact CD2-O 3.46Å; L170-V273 HydrophobicContact CD2-CG1 4.26Å
171	M	92.9	Very high	91	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-47.9	178	179.5	-168.8	74.8	0	0	111.5	L127 I156 A157 W160 K163 W167 V168 N173 S174 L175	L127-M171 HydrophobicContact CD1-CE 4.23Å; L127-M171 HydrophobicContact CD2-CE 3.96Å; I156-M171 HydrophobicContact CG2-CG 4.25Å; A157-M171 VanDerWaalsContact CA-SD 3.58Å; A157-M171 HydrophobicContact CB-CE 4.23Å; A157-M171 HydrophobicContact CB-SD 3.79Å; W160-M171 HydrophobicContact CB-CE 3.88Å; W160-M171 HydrophobicContact CB-SD 4.29Å; K163-M171 HydrophobicContact CD-SD 4.35Å; W167-M171 WeakPolarHBondContact O-CB 3.43Å; W167-M171 PolarHBondContact O-N 3.12Å; V168-M171 HydrophobicContact CG1-CE 4.19Å; V168-M171 PolarHBondContact O-N 3.44Å; M171-N173 VanDerWaalsContact C-N 3.29Å; M171-N173 PolarHBondContact O-N 3.22Å; M171-S174 CarbonylContact O-C 3.53Å; M171-S174 PolarHBondContact O-N 3.29Å; M171-S174 PolarHBondContact O-OG 3Å; M171-L175 HydrophobicContact CE-CD1 4.43Å; M171-L175 HydrophobicContact CG-CD1 3.97Å; M171-L175 VanDerWaalsContact O-CG 3.31Å; M171-L175 WeakPolarHBondContact O-CG 3.37Å; M171-L175 PolarHBondContact O-N 2.93Å
172	V	92.8	Very high	90.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-40.1	178.9	165.4	0	0	0	0	111.7	L123 L127 V168 M169 L170 S174 L175 T231 L232 Q235	L123-V172 HydrophobicContact CD1-CG2 3.67Å; L127-V172 HydrophobicContact CD2-CG2 4.4Å; V168-V172 HydrophobicContact CG1-CG2 4.25Å; V168-V172 WeakPolarHBondContact O-CB 3.39Å; V168-V172 VanDerWaalsContact O-CG2 3.27Å; V168-V172 WeakPolarHBondContact O-CG2 3.44Å; V168-V172 PolarHBondContact O-N 2.79Å; M169-V172 PolarHBondContact O-N 3.15Å; L170-V172 PolarHBondContact O-N 3.02Å; V172-S174 PolarHBondContact O-N 3.37Å; V172-L175 PolarHBondContact O-N 3.28Å; V172-T231 HydrophobicContact CB-CG2 4.08Å; V172-T231 HydrophobicContact CG1-CG2 3.62Å; V172-L232 HydrophobicContact CG1-CD2 4.46Å; V172-Q235 HydrophobicContact CG1-CG 3.73Å
173	N	87.2	Confident	90.1	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.193	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-17.4	176.8	-74.8	-41.6	0	0	0	114.2	M169 L170 M171 T231 Q235 P274	M169-N173 PolarHBondContact O-N 2.8Å; M169-N173 PolarHBondContact O-ND2 3.47Å; L170-N173 PolarHBondContact O-N 2.88Å; M171-N173 VanDerWaalsContact C-N 3.29Å; M171-N173 PolarHBondContact O-N 3.22Å; N173-T231 VanDerWaalsContact ND2-CG2 3.28Å; N173-T231 WeakPolarHBondContact ND2-CG2 3.48Å; N173-T231 PolarHBondContact ND2-OG1 3.31Å; N173-T231 WeakPolarHBondContact OD1-CG2 3.48Å; N173-Q235 PolarHBondContact OD1-NE2 3.27Å; N173-P274 WeakPolarHBondContact ND2-CG 3.29Å
174	S	86.7	Confident	89.7	Confident	33 Å²	33	32.4 Å²	32.4	23%	0.231	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.2	176.8	77.2	0	0	0	0	114.4	L170 M171 V172 D179 R183	L170-S174 PolarHBondContact O-N 3.36Å; M171-S174 CarbonylContact O-C 3.53Å; M171-S174 PolarHBondContact O-N 3.29Å; M171-S174 PolarHBondContact O-OG 3Å; V172-S174 PolarHBondContact O-N 3.37Å; S174-D179 VanDerWaalsContact O-CB 3.32Å; S174-D179 WeakPolarHBondContact O-CB 3.38Å; S174-R183 PolarHBondContact O-NH2 3.12Å
175	L	89.7	Confident	89.4	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.162	C	C	.	.			trans	-112	41.4	-176.9	-75.8	174	0	0	0	112	L127 V130 M134 W137 I156 A157 M171 V172 I180	L127-L175 HydrophobicContact CD2-CD1 3.84Å; V130-L175 HydrophobicContact CG1-CB 4.16Å; V130-L175 HydrophobicContact CG1-CD1 4.35Å; V130-L175 HydrophobicContact CG1-CD2 4.16Å; V130-L175 HydrophobicContact CG1-CG 4.46Å; V130-L175 HydrophobicContact CG2-CB 4.36Å; M134-L175 HydrophobicContact CE-CD2 4.47Å; W137-L175 WeakPolarHBondContact CZ3-O 3.35Å; I156-L175 HydrophobicContact CB-CD2 4.22Å; I156-L175 HydrophobicContact CD1-CD2 4.23Å; I156-L175 HydrophobicContact CG2-CD2 3.61Å; I156-L175 HydrophobicContact CG2-CG 4.23Å; A157-L175 HydrophobicContact CB-CD1 4.21Å; M171-L175 HydrophobicContact CE-CD1 4.43Å; M171-L175 HydrophobicContact CG-CD1 3.97Å; M171-L175 VanDerWaalsContact O-CG 3.31Å; M171-L175 WeakPolarHBondContact O-CG 3.37Å; M171-L175 PolarHBondContact O-N 2.93Å; V172-L175 PolarHBondContact O-N 3.28Å; L175-I180 HydrophobicContact CD2-CD1 4.15Å
176	T	87.3	Confident	89.2	Confident	32 Å²	32	30.5 Å²	30.5	20%	0.196	16%	0.162	C	C	.	.	S	Bend	trans	-97	165.4	174.9	76.4	0	0	0	0	112.1	V178 D179 I180	T176-V178 VanDerWaalsContact C-N 3.25Å; T176-V178 PolarHBondContact O-N 3.44Å; T176-D179 WeakPolarHBondContact CB-OD2 3.42Å; T176-D179 WeakPolarHBondContact CG2-OD2 3.46Å; T176-D179 PolarHBondContact N-OD2 3.13Å; T176-D179 PolarHBondContact O-N 3.43Å; T176-D179 VanDerWaalsContact OG1-CG 3.22Å; T176-D179 PolarHBondContact OG1-N 2.92Å; T176-D179 PolarHBondContact OG1-OD2 2.99Å; T176-I180 VanDerWaalsContact O-CG1 3.31Å; T176-I180 WeakPolarHBondContact O-CG1 3.44Å; T176-I180 PolarHBondContact O-N 3.35Å
177	E	88.7	Confident	89.2	Confident	83 Å²	83	31.3 Å²	31.3	39%	0.388	17%	0.167	S	C	.	.	H	α-helix	trans	-54.3	-42.1	175.2	179.4	173.6	174.5	0	0	112.7	W137 I180 K181	W137-E177 HydrophobicContact CB-CB 4.43Å; W137-E177 HydrophobicContact CB-CG 4.09Å; W137-E177 VanDerWaalsContact CD1-CG 3.42Å; W137-E177 HydrophobicContact CD2-CB 3.98Å; W137-E177 HydrophobicContact CD2-CG 4.48Å; W137-E177 HydrophobicContact CG-CB 3.79Å; W137-E177 HydrophobicContact CG-CG 3.77Å; E177-I180 PolarHBondContact O-N 3.43Å; E177-K181 HydrophobicContact CG-CD 4.26Å; E177-K181 VanDerWaalsContact O-CG 3.32Å; E177-K181 WeakPolarHBondContact O-CG 3.27Å; E177-K181 PolarHBondContact O-N 3Å; E177-K181 WeakPolarHBondContact OE1-CE 3.4Å; E177-K181 IonicContact OE1-NZ 3.73Å; E177-K181 PolarHBondContact OE1-NZ 3.18Å
178	V	83.5	Confident	89.3	Confident	74 Å²	74	29.8 Å²	29.8	45%	0.448	16%	0.161	S	C	.	.	H	α-helix	trans	-65.1	-45.4	-179.1	178.7	0	0	0	0	110.4	T176 K181 S182	T176-V178 VanDerWaalsContact C-N 3.25Å; T176-V178 PolarHBondContact O-N 3.44Å; V178-K181 PolarHBondContact O-N 2.73Å; V178-S182 PolarHBondContact O-N 2.83Å
179	D	85	Confident	89.3	Confident	30 Å²	30	31 Å²	31	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-45	179.1	-57.5	-46.6	0	0	0	111	S174 T176 K181 S182 R183	S174-D179 VanDerWaalsContact O-CB 3.32Å; S174-D179 WeakPolarHBondContact O-CB 3.38Å; T176-D179 WeakPolarHBondContact CB-OD2 3.42Å; T176-D179 WeakPolarHBondContact CG2-OD2 3.46Å; T176-D179 PolarHBondContact N-OD2 3.13Å; T176-D179 PolarHBondContact O-N 3.43Å; T176-D179 VanDerWaalsContact OG1-CG 3.22Å; T176-D179 PolarHBondContact OG1-N 2.92Å; T176-D179 PolarHBondContact OG1-OD2 2.99Å; D179-K181 PolarHBondContact O-N 2.65Å; D179-S182 WeakPolarHBondContact O-CB 3.44Å; D179-S182 PolarHBondContact O-N 2.74Å; D179-S182 VanDerWaalsContact O-N 3.12Å; D179-S182 PolarHBondContact O-OG 3.13Å; D179-R183 WeakPolarHBondContact O-CG 3.41Å; D179-R183 PolarHBondContact O-N 3.48Å
180	I	89.8	Confident	89.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42.6	-179.9	-66.5	-51	0	0	0	111.5	M134 W137 M138 Q142 L152 I156 L175 T176 E177 S182 R183	M134-I180 HydrophobicContact CE-CD1 4Å; M134-I180 HydrophobicContact CE-CG1 4.42Å; M134-I180 HydrophobicContact SD-CB 4.36Å; M134-I180 HydrophobicContact SD-CD1 3.64Å; M134-I180 HydrophobicContact SD-CG1 3.76Å; M134-I180 HydrophobicContact SD-CG2 3.64Å; W137-I180 HydrophobicContact CB-CB 4.14Å; W137-I180 HydrophobicContact CB-CG2 3.86Å; W137-I180 HydrophobicContact CE3-CB 4.47Å; W137-I180 HydrophobicContact CE3-CG1 4.02Å; M138-I180 HydrophobicContact CG-CG2 4.06Å; Q142-I180 PolarHBondContact NE2-O 2.93Å; L152-I180 HydrophobicContact CD2-CG2 3.99Å; I156-I180 HydrophobicContact CD1-CD1 3.79Å; L175-I180 HydrophobicContact CD2-CD1 4.15Å; T176-I180 VanDerWaalsContact O-CG1 3.31Å; T176-I180 WeakPolarHBondContact O-CG1 3.44Å; T176-I180 PolarHBondContact O-N 3.35Å; E177-I180 PolarHBondContact O-N 3.43Å; I180-S182 PolarHBondContact O-N 2.91Å; I180-S182 VanDerWaalsContact O-N 3.15Å; I180-R183 HydrophobicContact CD1-CG 4.39Å; I180-R183 PolarHBondContact O-N 3.41Å; I180-R183 VanDerWaalsContact O-N 3.16Å
181	K	89.8	Confident	89.5	Confident	97 Å²	97	30.9 Å²	30.9	42%	0.422	17%	0.165	S	C	.	.	H	α-helix	trans	-57.8	-28.9	176	-77.7	177.1	-176.9	172	0	113.4	W137 T139 Q142 E177 V178 D179	W137-K181 WeakPolarHBondContact O-CG 3.45Å; T139-K181 HydrophobicContact CG2-CB 4.15Å; T139-K181 HydrophobicContact CG2-CG 4.05Å; Q142-K181 PolarHBondContact NE2-O 2.69Å; E177-K181 HydrophobicContact CG-CD 4.26Å; E177-K181 VanDerWaalsContact O-CG 3.32Å; E177-K181 WeakPolarHBondContact O-CG 3.27Å; E177-K181 PolarHBondContact O-N 3Å; E177-K181 WeakPolarHBondContact OE1-CE 3.4Å; E177-K181 IonicContact OE1-NZ 3.73Å; E177-K181 PolarHBondContact OE1-NZ 3.18Å; V178-K181 PolarHBondContact O-N 2.73Å; D179-K181 PolarHBondContact O-N 2.65Å
182	S	85.6	Confident	89.7	Confident	40 Å²	40	30.6 Å²	30.6	28%	0.28	16%	0.164	S	C	.	.	H	α-helix	trans	-86	-15.8	-177	83.3	0	0	0	0	114.2	V178 D179 I180 V185	V178-S182 PolarHBondContact O-N 2.83Å; D179-S182 WeakPolarHBondContact O-CB 3.44Å; D179-S182 PolarHBondContact O-N 2.74Å; D179-S182 VanDerWaalsContact O-N 3.12Å; D179-S182 PolarHBondContact O-OG 3.13Å; I180-S182 PolarHBondContact O-N 2.91Å; I180-S182 VanDerWaalsContact O-N 3.15Å; S182-V185 PolarHBondContact O-N 3.44Å
183	R	88	Confident	89.9	Confident	72 Å²	72	30.9 Å²	30.9	27%	0.272	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	146.9	-177.7	-63.7	-64.3	-177.2	176.5	-0.9	111.8	Q142 L152 I156 S174 D179 I180 V185	Q142-R183 PolarHBondContact NE2-O 2.94Å; L152-R183 HydrophobicContact CD1-CB 3.96Å; L152-R183 HydrophobicContact CD1-CG 4.12Å; L152-R183 HydrophobicContact CD2-CB 4.28Å; L152-R183 HydrophobicContact CD2-CG 4.49Å; I156-R183 HydrophobicContact CD1-CG 4.28Å; S174-R183 PolarHBondContact O-NH2 3.12Å; D179-R183 WeakPolarHBondContact O-CG 3.41Å; D179-R183 PolarHBondContact O-N 3.48Å; I180-R183 HydrophobicContact CD1-CG 4.39Å; I180-R183 PolarHBondContact O-N 3.41Å; I180-R183 VanDerWaalsContact O-N 3.16Å; R183-V185 VanDerWaalsContact C-N 3.31Å
184	G	84.3	Confident	90.2	Very high	11 Å²	11	30.1 Å²	30.1	11%	0.113	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	10.6	-175.2	0	0	0	0	0	114	V444	G184-V444 WeakPolarHBondContact O-CG2 3.41Å
185	V	88.4	Confident	90.7	Very high	43 Å²	43	29.9 Å²	29.9	26%	0.261	16%	0.157	S	C	.	.	S	Bend	trans	-117.9	128.2	164.9	-174.8	0	0	0	0	107.5	P62 Y63 T64 S182 R183	P62-V185 HydrophobicContact CB-CB 4.05Å; P62-V185 HydrophobicContact CB-CG1 3.74Å; Y63-V185 HydrophobicContact CD1-CG1 3.97Å; Y63-V185 HydrophobicContact CE1-CG1 3.97Å; T64-V185 HydrophobicContact CG2-CG1 4.01Å; S182-V185 PolarHBondContact O-N 3.44Å; R183-V185 VanDerWaalsContact C-N 3.31Å
186	P	90.8	Very high	91	Very high	11 Å²	11	29.8 Å²	29.8	7%	0.071	16%	0.157	C	C	.	.			trans	-57.2	139.5	174.8	-25.1	34	0	0	0	111.9	P62 Y63 L190 V444	P62-P186 WeakPolarHBondContact CA-O 3.35Å; Y63-P186 HydrophobicContact CD1-CB 4.3Å; Y63-P186 WeakPolarHBondContact CD1-O 3.3Å; Y63-P186 PolarHBondContact N-O 3.16Å; P186-L190 HydrophobicContact CB-CD2 4.47Å; P186-V444 HydrophobicContact CG-CB 4.08Å; P186-V444 HydrophobicContact CG-CG1 4.44Å
187	V	92.3	Very high	91.4	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.127	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-68.9	159.1	165.8	-65.4	0	0	0	0	110.4	V61 D189 L190 Y191	V61-V187 CarbonylContact O-C 3.58Å; V61-V187 WeakPolarHBondContact O-CA 3.2Å; V187-D189 VanDerWaalsContact C-N 3.27Å; V187-D189 PolarHBondContact O-N 3.27Å; V187-L190 HydrophobicContact CG2-CB 4.04Å; V187-L190 PolarHBondContact O-N 2.03Å; V187-Y191 WeakPolarHBondContact O-CB 3.46Å; V187-Y191 PolarHBondContact O-N 3.15Å
188	L	94.9	Very high	91.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-53.5	-41.4	-175.5	-179.4	60.6	0	0	0	113.2	F56 T58 V61 V66 W67 I70 Y191 L192	F56-L188 HydrophobicContact CE1-CD2 4.32Å; T58-L188 HydrophobicContact CG2-CD2 4.24Å; T58-L188 HydrophobicContact CG2-CG 4.29Å; V61-L188 PolarHBondContact O-N 3.02Å; V66-L188 HydrophobicContact CG2-CB 4.4Å; V66-L188 HydrophobicContact CG2-CD1 4.32Å; V66-L188 HydrophobicContact CG2-CD2 4.07Å; W67-L188 HydrophobicContact CE3-CD1 4.22Å; I70-L188 HydrophobicContact CD1-CD1 3.87Å; I70-L188 HydrophobicContact CD1-CD2 4.01Å; L188-Y191 HydrophobicContact CD1-CD1 4.47Å; L188-Y191 PolarHBondContact O-N 3.04Å; L188-L192 HydrophobicContact CD1-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.25Å; L188-L192 HydrophobicContact CG-CD1 4.31Å; L188-L192 WeakPolarHBondContact O-CG 3.1Å; L188-L192 PolarHBondContact O-N 3.4Å
189	D	93.8	Very high	92.3	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.139	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-51.8	179.4	-47.3	-87.6	0	0	0	111.7	T58 H60 V187 L192 A193	T58-D189 WeakPolarHBondContact CB-OD1 3.44Å; T58-D189 PolarHBondContact OG1-OD1 3.24Å; H60-D189 IonicContact ND1-OD2 3.16Å; V187-D189 VanDerWaalsContact C-N 3.27Å; V187-D189 PolarHBondContact O-N 3.27Å; D189-L192 PolarHBondContact O-N 3.12Å; D189-A193 PolarHBondContact O-N 3.23Å
190	L	92.8	Very high	92.9	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-38.2	179.9	178.5	60.8	0	0	0	111.2	L90 P186 V187 L192 A193 Q194 W443	L90-L190 HydrophobicContact CB-CD1 4.23Å; P186-L190 HydrophobicContact CB-CD2 4.47Å; V187-L190 HydrophobicContact CG2-CB 4.04Å; V187-L190 PolarHBondContact O-N 2.03Å; L190-L192 VanDerWaalsContact C-N 3.34Å; L190-L192 PolarHBondContact O-N 3.05Å; L190-A193 PolarHBondContact O-N 2.9Å; L190-Q194 HydrophobicContact CD1-CG 4.08Å; L190-Q194 HydrophobicContact CG-CG 4.31Å; L190-Q194 WeakPolarHBondContact O-CB 3.42Å; L190-Q194 VanDerWaalsContact O-CG 3.29Å; L190-Q194 WeakPolarHBondContact O-CG 3.07Å; L190-Q194 PolarHBondContact O-N 3.08Å; L190-W443 HydrophobicContact CD2-CB 4.05Å; L190-W443 HydrophobicContact CD2-CD2 4.42Å; L190-W443 HydrophobicContact CD2-CE3 3.63Å; L190-W443 HydrophobicContact CD2-CZ3 4.46Å
191	Y	95.7	Very high	93.2	Very high	23 Å²	23	43.9 Å²	43.9	9%	0.09	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-46.9	175.2	171.5	-102.9	0	0	0	111.2	Y63 W67 V187 L188 A193 Q194 E195 I446	Y63-Y191 AromaticContact CD1-CD2 3.96Å; Y63-Y191 HydrophobicContact CD1-CD2 3.96Å; Y63-Y191 HydrophobicContact CD1-CG 4.06Å; Y63-Y191 AromaticContact CD2-CD1 3.91Å; Y63-Y191 HydrophobicContact CD2-CD1 3.91Å; Y63-Y191 AromaticContact CD2-CD2 3.76Å; Y63-Y191 HydrophobicContact CD2-CD2 3.76Å; Y63-Y191 HydrophobicContact CD2-CE1 4.02Å; Y63-Y191 AromaticContact CD2-CE2 3.9Å; Y63-Y191 HydrophobicContact CD2-CE2 3.9Å; Y63-Y191 AromaticContact CD2-CG 3.78Å; Y63-Y191 HydrophobicContact CD2-CG 3.78Å; Y63-Y191 HydrophobicContact CE1-CD2 4.08Å; Y63-Y191 AromaticContact CE2-CD2 3.89Å; Y63-Y191 HydrophobicContact CE2-CD2 3.89Å; Y63-Y191 AromaticContact CE2-CE2 3.72Å; Y63-Y191 HydrophobicContact CE2-CE2 3.72Å; Y63-Y191 HydrophobicContact CE2-CG 4.38Å; Y63-Y191 HydrophobicContact CG-CD1 4.04Å; Y63-Y191 AromaticContact CG-CD2 3.81Å; Y63-Y191 HydrophobicContact CG-CD2 3.81Å; Y63-Y191 HydrophobicContact CG-CE2 4.41Å; Y63-Y191 AromaticContact CG-CG 3.6Å; Y63-Y191 HydrophobicContact CG-CG 3.6Å; W67-Y191 AromaticContact CD2-CE1 3.93Å; W67-Y191 HydrophobicContact CD2-CE1 3.93Å; W67-Y191 HydrophobicContact CE3-CD1 4.13Å; W67-Y191 AromaticContact CE3-CE1 3.62Å; W67-Y191 HydrophobicContact CE3-CE1 3.62Å; W67-Y191 AromaticContact CH2-CE1 3.79Å; W67-Y191 HydrophobicContact CH2-CE1 3.79Å; W67-Y191 HydrophobicContact CZ2-CE1 4.07Å; W67-Y191 HydrophobicContact CZ3-CD1 4.15Å; W67-Y191 AromaticContact CZ3-CE1 3.56Å; W67-Y191 HydrophobicContact CZ3-CE1 3.56Å; V187-Y191 WeakPolarHBondContact O-CB 3.46Å; V187-Y191 PolarHBondContact O-N 3.15Å; L188-Y191 HydrophobicContact CD1-CD1 4.47Å; L188-Y191 PolarHBondContact O-N 3.04Å; Y191-A193 VanDerWaalsContact C-N 3.33Å; Y191-A193 PolarHBondContact O-N 3.38Å; Y191-Q194 PolarHBondContact O-N 3.08Å; Y191-E195 VanDerWaalsContact O-CB 3.25Å; Y191-E195 WeakPolarHBondContact O-CB 3.5Å; Y191-E195 PolarHBondContact O-N 3.35Å; Y191-I446 HydrophobicContact CD2-CD1 4.06Å; Y191-I446 HydrophobicContact CE2-CD1 4.12Å
192	L	96.9	Very high	93.5	Very high	4 Å²	4	48 Å²	48	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-38.1	177.3	-73.1	174.4	0	0	0	112.3	F56 T58 W67 F78 F86 L188 D189 L190 E195 A196 A327	F56-L192 HydrophobicContact CD1-CD1 3.98Å; F56-L192 HydrophobicContact CE1-CD1 3.93Å; T58-L192 HydrophobicContact CG2-CD1 3.8Å; W67-L192 HydrophobicContact CH2-CD2 4.42Å; W67-L192 HydrophobicContact CZ3-CD2 3.95Å; F78-L192 HydrophobicContact CD2-CD2 4.25Å; F78-L192 HydrophobicContact CE2-CB 4.49Å; F78-L192 HydrophobicContact CE2-CD2 4.09Å; F78-L192 HydrophobicContact CZ-CD2 4.3Å; F86-L192 HydrophobicContact CE1-CB 3.66Å; F86-L192 HydrophobicContact CZ-CB 4.06Å; L188-L192 HydrophobicContact CD1-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.25Å; L188-L192 HydrophobicContact CG-CD1 4.31Å; L188-L192 WeakPolarHBondContact O-CG 3.1Å; L188-L192 PolarHBondContact O-N 3.4Å; D189-L192 PolarHBondContact O-N 3.12Å; L190-L192 VanDerWaalsContact C-N 3.34Å; L190-L192 PolarHBondContact O-N 3.05Å; L192-E195 PolarHBondContact O-N 3.02Å; L192-A196 WeakPolarHBondContact O-CB 3.41Å; L192-A196 PolarHBondContact O-N 3.46Å; L192-A327 HydrophobicContact CD1-CB 4.22Å
193	A	95.8	Very high	94	Very high	7 Å²	7	48.6 Å²	48.6	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-47.8	175.7	0	0	0	0	0	111.9	F86 T91 D189 L190 Y191 E195 A196 E197	F86-A193 HydrophobicContact CD2-CB 4.1Å; F86-A193 HydrophobicContact CE1-CB 4.2Å; F86-A193 HydrophobicContact CE2-CB 3.74Å; F86-A193 HydrophobicContact CG-CB 4.48Å; F86-A193 HydrophobicContact CZ-CB 3.81Å; F86-A193 VanDerWaalsContact CZ-N 3.32Å; T91-A193 HydrophobicContact CG2-CB 4Å; D189-A193 PolarHBondContact O-N 3.23Å; L190-A193 PolarHBondContact O-N 2.9Å; Y191-A193 VanDerWaalsContact C-N 3.33Å; Y191-A193 PolarHBondContact O-N 3.38Å; A193-E195 VanDerWaalsContact C-N 3.34Å; A193-E195 PolarHBondContact O-N 3.04Å; A193-A196 WeakPolarHBondContact O-CB 3.21Å; A193-A196 PolarHBondContact O-N 3.13Å; A193-E197 PolarHBondContact O-N 3.23Å
194	Q	94.9	Very high	94.4	Very high	19 Å²	19	45.7 Å²	45.7	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-39.4	176	-69.9	175.3	-4.7	0	0	112.1	L190 Y191 A196 E197 R198 V444 I446	L190-Q194 HydrophobicContact CD1-CG 4.08Å; L190-Q194 HydrophobicContact CG-CG 4.31Å; L190-Q194 WeakPolarHBondContact O-CB 3.42Å; L190-Q194 VanDerWaalsContact O-CG 3.29Å; L190-Q194 WeakPolarHBondContact O-CG 3.07Å; L190-Q194 PolarHBondContact O-N 3.08Å; Y191-Q194 PolarHBondContact O-N 3.08Å; Q194-A196 VanDerWaalsContact C-N 3.33Å; Q194-E197 PolarHBondContact O-N 2.9Å; Q194-R198 WeakPolarHBondContact O-CB 2.95Å; Q194-R198 PolarHBondContact O-N 3.05Å; Q194-V444 PolarHBondContact NE2-O 3.04Å; Q194-V444 PolarHBondContact OE1-O 3.09Å; Q194-I446 HydrophobicContact CB-CD1 4.46Å
195	E	96.3	Very high	95	Very high	28 Å²	28	46.8 Å²	46.8	13%	0.131	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-35.1	177.1	-174.2	63.3	-171.3	0	0	111.5	F78 Y191 L192 A193 R198 L199	F78-E195 HydrophobicContact CE1-CB 4.41Å; F78-E195 HydrophobicContact CE1-CG 3.86Å; F78-E195 HydrophobicContact CZ-CB 4.3Å; F78-E195 HydrophobicContact CZ-CG 4.24Å; Y191-E195 VanDerWaalsContact O-CB 3.25Å; Y191-E195 WeakPolarHBondContact O-CB 3.5Å; Y191-E195 PolarHBondContact O-N 3.35Å; L192-E195 PolarHBondContact O-N 3.02Å; A193-E195 VanDerWaalsContact C-N 3.34Å; A193-E195 PolarHBondContact O-N 3.04Å; E195-R198 PolarHBondContact O-N 3.21Å; E195-R198 IonicContact OE1-CZ 3.92Å; E195-R198 IonicContact OE1-NE 3.69Å; E195-R198 PolarHBondContact OE1-NE 3.16Å; E195-R198 IonicContact OE1-NH2 3.39Å; E195-R198 PolarHBondContact OE1-NH2 2.86Å; E195-R198 IonicContact OE2-CZ 2.69Å; E195-R198 IonicContact OE2-NE 2.67Å; E195-R198 PolarHBondContact OE2-NE 3.45Å; E195-R198 IonicContact OE2-NH2 3.24Å; E195-L199 HydrophobicContact CG-CD1 4.14Å; E195-L199 WeakPolarHBondContact O-CB 3.46Å; E195-L199 VanDerWaalsContact O-CG 3.24Å; E195-L199 WeakPolarHBondContact O-CG 3.25Å; E195-L199 PolarHBondContact O-N 3.37Å
196	A	96.9	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-43.1	173.4	0	0	0	0	0	111.6	F78 V84 F86 L192 A193 Q194 L199 K200 K201 T203	F78-A196 HydrophobicContact CE2-CB 4.31Å; F78-A196 HydrophobicContact CZ-CB 4.01Å; V84-A196 HydrophobicContact CB-CB 4.37Å; V84-A196 HydrophobicContact CG2-CB 4.24Å; F86-A196 HydrophobicContact CE2-CB 4.49Å; F86-A196 HydrophobicContact CZ-CB 4.45Å; L192-A196 WeakPolarHBondContact O-CB 3.41Å; L192-A196 PolarHBondContact O-N 3.46Å; A193-A196 WeakPolarHBondContact O-CB 3.21Å; A193-A196 PolarHBondContact O-N 3.13Å; Q194-A196 VanDerWaalsContact C-N 3.33Å; A196-L199 CarbonylContact O-C 3.59Å; A196-L199 PolarHBondContact O-N 3.28Å; A196-K200 PolarHBondContact O-N 2.92Å; A196-K200 VanDerWaalsContact O-N 3.16Å; A196-K201 HydrophobicContact CB-CB 4.21Å; A196-K201 HydrophobicContact CB-CD 4.25Å; A196-K201 WeakPolarHBondContact O-CB 3.42Å; A196-K201 PolarHBondContact O-N 2.86Å; A196-T203 HydrophobicContact CB-CG2 3.67Å
197	E	94.5	Very high	95.7	Very high	92 Å²	92	45 Å²	45	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-46.9	173.1	-72.1	-174.6	160.7	0	0	112	T91 A193 Q194 L199 K200	T91-E197 WeakPolarHBondContact CB-OE1 3.39Å; T91-E197 WeakPolarHBondContact CG2-OE1 3.08Å; T91-E197 PolarHBondContact OG1-OE1 2.82Å; A193-E197 PolarHBondContact O-N 3.23Å; Q194-E197 PolarHBondContact O-N 2.9Å; E197-L199 PolarHBondContact O-N 2.96Å; E197-K200 WeakPolarHBondContact O-CA 3.4Å; E197-K200 PolarHBondContact O-N 3.35Å
198	R	95.6	Very high	95.8	Very high	138 Å²	138	49.4 Å²	49.4	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-57.6	-38.2	177.4	-166.7	-167.8	71.1	74.4	-1.7	111.9	Q194 E195 K200	Q194-R198 WeakPolarHBondContact O-CB 2.95Å; Q194-R198 PolarHBondContact O-N 3.05Å; E195-R198 PolarHBondContact O-N 3.21Å; E195-R198 IonicContact OE1-CZ 3.92Å; E195-R198 IonicContact OE1-NE 3.69Å; E195-R198 PolarHBondContact OE1-NE 3.16Å; E195-R198 IonicContact OE1-NH2 3.39Å; E195-R198 PolarHBondContact OE1-NH2 2.86Å; E195-R198 IonicContact OE2-CZ 2.69Å; E195-R198 IonicContact OE2-NE 2.67Å; E195-R198 PolarHBondContact OE2-NE 3.45Å; E195-R198 IonicContact OE2-NH2 3.24Å; R198-K200 PolarHBondContact O-N 3.42Å
199	L	96.4	Very high	95.7	Very high	66 Å²	66	50 Å²	50	35%	0.346	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.9	175.9	-66.7	175.3	0	0	0	113.5	F78 E195 A196 E197 K201	F78-L199 HydrophobicContact CE1-CD1 3.92Å; E195-L199 HydrophobicContact CG-CD1 4.14Å; E195-L199 WeakPolarHBondContact O-CB 3.46Å; E195-L199 VanDerWaalsContact O-CG 3.24Å; E195-L199 WeakPolarHBondContact O-CG 3.25Å; E195-L199 PolarHBondContact O-N 3.37Å; A196-L199 CarbonylContact O-C 3.59Å; A196-L199 PolarHBondContact O-N 3.28Å; E197-L199 PolarHBondContact O-N 2.96Å; L199-K201 HydrophobicContact CB-CD 4.31Å; L199-K201 HydrophobicContact CB-CG 4.05Å; L199-K201 PolarHBondContact O-N 3.37Å
200	K	96.4	Very high	95.7	Very high	193 Å²	193	52.7 Å²	52.7	84%	0.839	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.6	-179.1	-56.2	-179.4	-179.7	179.1	0	113.3	A196 E197 R198	A196-K200 PolarHBondContact O-N 2.92Å; A196-K200 VanDerWaalsContact O-N 3.16Å; E197-K200 WeakPolarHBondContact O-CA 3.4Å; E197-K200 PolarHBondContact O-N 3.35Å; R198-K200 PolarHBondContact O-N 3.42Å
201	K	96.5	Very high	95.7	Very high	25 Å²	25	53.8 Å²	53.8	11%	0.109	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-73.6	155.6	172.5	-62	178.6	-179.8	-70.5	0	109.3	F78 Q79 S81 V84 A196 L199 T203	F78-K201 HydrophobicContact CZ-CD 4.38Å; F78-K201 VanDerWaalsContact O-CE 3.28Å; F78-K201 WeakPolarHBondContact O-CE 3.41Å; F78-K201 PolarHBondContact O-NZ 2.53Å; Q79-K201 PolarHBondContact O-NZ 3.06Å; S81-K201 PolarHBondContact O-NZ 3.27Å; V84-K201 HydrophobicContact CG2-CB 4.27Å; V84-K201 HydrophobicContact CG2-CD 3.71Å; A196-K201 HydrophobicContact CB-CB 4.21Å; A196-K201 HydrophobicContact CB-CD 4.25Å; A196-K201 WeakPolarHBondContact O-CB 3.42Å; A196-K201 PolarHBondContact O-N 2.86Å; L199-K201 HydrophobicContact CB-CD 4.31Å; L199-K201 HydrophobicContact CB-CG 4.05Å; L199-K201 PolarHBondContact O-N 3.37Å; K201-T203 PolarHBondContact O-N 3.48Å
202	R	96.5	Very high	95.4	Very high	185 Å²	185	54.3 Å²	54.3	70%	0.698	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.6	170	-66.1	-176.7	-178.7	-173.1	-1.5	108.3	N82 I83 V84	N82-R202 PolarHBondContact O-N 3.45Å; I83-R202 CarbonylContact C-O 3.59Å; I83-R202 WeakPolarHBondContact CA-O 3.39Å; I83-R202 HydrophobicContact CG1-CB 4.35Å; I83-R202 HydrophobicContact CG2-CB 4.36Å; V84-R202 PolarHBondContact N-O 3.34Å
203	T	96.7	Very high	95.1	Very high	51 Å²	51	54.3 Å²	54.3	31%	0.313	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	157.1	177.1	52.2	0	0	0	0	111	V84 F86 A196 K201	V84-T203 CarbonylContact O-C 3.53Å; V84-T203 VanDerWaalsContact O-CA 3.23Å; V84-T203 WeakPolarHBondContact O-CA 3.47Å; F86-T203 HydrophobicContact CE2-CG2 4.19Å; A196-T203 HydrophobicContact CB-CG2 3.67Å; K201-T203 PolarHBondContact O-N 3.48Å
204	G	96.1	Very high	94.9	Very high	12 Å²	12	59.9 Å²	59.9	12%	0.124	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	172.3	173	0	0	0	0	0	111.1	V84 Y85 F86	V84-G204 PolarHBondContact O-N 2.97Å; Y85-G204 CarbonylContact C-O 3.5Å; Y85-G204 VanDerWaalsContact CA-O 3.32Å; Y85-G204 WeakPolarHBondContact CA-O 3.34Å; F86-G204 PolarHBondContact N-O 3.2Å
205	A	96.8	Very high	94.8	Very high	34 Å²	34	59.2 Å²	59.2	28%	0.281	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.3	176.7	0	0	0	0	0	110.4	F86 D89	F86-A205 CarbonylContact O-C 3.46Å; F86-A205 WeakPolarHBondContact O-CA 3.4Å; D89-A205 HydrophobicContact CB-CB 4.05Å
206	V	97.4	Very high	94.5	Very high	6 Å²	6	58.7 Å²	58.7	4%	0.036	27%	0.273	C	S	.	.	S	Bend	trans	-91.7	-6.5	174.6	-58.8	0	0	0	0	113	Y85 F86 E87 M308 R311 V312 L315 F326 F328	Y85-V206 HydrophobicContact CD1-CG1 3.73Å; Y85-V206 HydrophobicContact CG-CG1 4.36Å; F86-V206 PolarHBondContact O-N 2.88Å; E87-V206 PolarHBondContact O-N 3.45Å; V206-M308 HydrophobicContact CG2-CE 3.92Å; V206-M308 HydrophobicContact CG2-CG 4.16Å; V206-R311 WeakPolarHBondContact O-CD 3.37Å; V206-R311 PolarHBondContact O-NH1 2.97Å; V206-V312 HydrophobicContact CG1-CG2 4.46Å; V206-L315 HydrophobicContact CG1-CD1 4.22Å; V206-F326 HydrophobicContact CG1-CD1 4.4Å; V206-F326 HydrophobicContact CG1-CE1 4.47Å; V206-F328 HydrophobicContact CB-CE1 4.44Å; V206-F328 HydrophobicContact CB-CZ 4.26Å; V206-F328 HydrophobicContact CG1-CE1 4.08Å; V206-F328 HydrophobicContact CG1-CZ 3.77Å; V206-F328 HydrophobicContact CG2-CD1 4.35Å; V206-F328 HydrophobicContact CG2-CE1 3.49Å; V206-F328 VanDerWaalsContact CG2-CE1 3.49Å; V206-F328 HydrophobicContact CG2-CE2 4.4Å; V206-F328 HydrophobicContact CG2-CZ 3.52Å
207	E	96.1	Very high	94.1	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.047	29%	0.285	C	S	.	.	S	Bend	trans	-126.8	164.2	-178.2	-49.5	-175.3	101.6	0	0	112.6	E87 E211 Q212 R304 M308	E87-E207 VanDerWaalsContact CB-OE2 3.31Å; E87-E207 WeakPolarHBondContact CB-OE2 3.07Å; E87-E207 WeakPolarHBondContact O-CA 3.39Å; E87-E207 WeakPolarHBondContact O-CB 3.3Å; E87-E207 WeakPolarHBondContact O-CG 3.43Å; E87-E207 PolarHBondContact O-N 3.11Å; E207-E211 WeakPolarHBondContact CA-OE2 3.34Å; E207-Q212 PolarHBondContact OE2-NE2 3.06Å; E207-Q212 VanDerWaalsContact OE2-NE2 3.1Å; E207-R304 WeakPolarHBondContact OE1-CD 3.27Å; E207-R304 WeakPolarHBondContact OE1-CG 3.49Å; E207-R304 IonicContact OE1-CZ 3.46Å; E207-R304 IonicContact OE1-NE 3.55Å; E207-R304 PolarHBondContact OE1-NE 3.19Å; E207-R304 IonicContact OE1-NH2 2.73Å; E207-R304 IonicContact OE2-CZ 3.13Å; E207-R304 IonicContact OE2-NE 3.13Å; E207-R304 PolarHBondContact OE2-NE 3.31Å; E207-R304 IonicContact OE2-NH2 2.82Å; E207-R304 PolarHBondContact OE2-NH2 2.98Å; E207-M308 HydrophobicContact CG-CG 4.24Å
208	Q	94.7	Very high	93.9	Very high	113 Å²	113	58.6 Å²	58.6	53%	0.528	29%	0.287	S	S	.	.			trans	-109.1	159.7	174.5	-60.5	179.1	-1.8	0	0	110.5	E210 E211	Q208-E210 VanDerWaalsContact C-N 3.29Å; Q208-E210 PolarHBondContact O-N 2.63Å; Q208-E211 HydrophobicContact CB-CG 4.18Å; Q208-E211 PolarHBondContact N-OE2 3.23Å; Q208-E211 WeakPolarHBondContact O-CB 3.24Å; Q208-E211 PolarHBondContact O-N 3.01Å
209	V	92.9	Very high	93.7	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-40.8	-177.9	173.3	0	0	0	0	111.3	L88 T95 A98 L99 E211 Q212 C213	L88-V209 HydrophobicContact CD1-CG2 4.24Å; T95-V209 HydrophobicContact CG2-CG2 3.65Å; A98-V209 HydrophobicContact CB-CB 4.2Å; A98-V209 HydrophobicContact CB-CG1 3.75Å; A98-V209 HydrophobicContact CB-CG2 4.06Å; L99-V209 HydrophobicContact CD2-CG1 3.9Å; L99-V209 HydrophobicContact CG-CG1 3.96Å; L99-V209 HydrophobicContact CG-CG2 4.44Å; V209-E211 PolarHBondContact O-N 3.47Å; V209-Q212 WeakPolarHBondContact O-CB 3.25Å; V209-Q212 PolarHBondContact O-N 2.86Å; V209-C213 PolarHBondContact O-N 3.45Å; V209-C213 VanDerWaalsContact O-N 3.08Å; V209-C213 PolarHBondContact O-SG 3.29Å
210	E	92.9	Very high	93.5	Very high	83 Å²	83	53.1 Å²	53.1	39%	0.388	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-36.3	180	-66.6	69.9	-151.2	0	0	111.1	Q208 Q212 C213 H214	Q208-E210 VanDerWaalsContact C-N 3.29Å; Q208-E210 PolarHBondContact O-N 2.63Å; E210-Q212 VanDerWaalsContact C-N 3.25Å; E210-Q212 PolarHBondContact O-N 3.15Å; E210-C213 PolarHBondContact O-N 2.99Å; E210-H214 VanDerWaalsContact O-CB 3.31Å; E210-H214 WeakPolarHBondContact O-CB 3.01Å; E210-H214 PolarHBondContact O-CD2 3.4Å; E210-H214 PolarHBondContact O-N 3.02Å
211	E	93.9	Very high	93.2	Very high	28 Å²	28	48.5 Å²	48.5	13%	0.131	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-21.9	-178.8	-58.6	178	131.9	0	0	112.8	E207 Q208 V209 P215 R307 R311	E207-E211 WeakPolarHBondContact CA-OE2 3.34Å; Q208-E211 HydrophobicContact CB-CG 4.18Å; Q208-E211 PolarHBondContact N-OE2 3.23Å; Q208-E211 WeakPolarHBondContact O-CB 3.24Å; Q208-E211 PolarHBondContact O-N 3.01Å; V209-E211 PolarHBondContact O-N 3.47Å; E211-P215 WeakPolarHBondContact O-CD 3.21Å; E211-P215 WeakPolarHBondContact O-CG 3.44Å; E211-R307 WeakPolarHBondContact OE1-CD 3.41Å; E211-R307 IonicContact OE1-NE 2.67Å; E211-R307 PolarHBondContact OE1-NE 3.19Å; E211-R311 VanDerWaalsContact CD-NH1 3.33Å; E211-R311 IonicContact OE1-CZ 2.66Å; E211-R311 IonicContact OE1-NH1 3.47Å; E211-R311 PolarHBondContact OE1-NH1 2.9Å; E211-R311 VanDerWaalsContact OE1-NH1 3.13Å; E211-R311 IonicContact OE1-NH2 3.54Å; E211-R311 PolarHBondContact OE1-NH2 2.94Å; E211-R311 IonicContact OE2-CZ 3.71Å; E211-R311 IonicContact OE2-NH1 3.34Å; E211-R311 PolarHBondContact OE2-NH1 3.13Å; E211-R311 IonicContact OE2-NH2 3.34Å; E211-R311 PolarHBondContact OE2-NH2 3.34Å
212	Q	88.6	Confident	93.1	Very high	34 Å²	34	51.2 Å²	51.2	16%	0.159	27%	0.274	C	S	.	.	H	α-helix	trans	-87.1	-34.1	172.8	-58.8	-70	22	0	0	111.8	L88 L99 E207 V209 E210	L88-Q212 HydrophobicContact CD2-CG 4.38Å; L99-Q212 HydrophobicContact CD2-CB 4.47Å; E207-Q212 PolarHBondContact OE2-NE2 3.06Å; E207-Q212 VanDerWaalsContact OE2-NE2 3.1Å; V209-Q212 WeakPolarHBondContact O-CB 3.25Å; V209-Q212 PolarHBondContact O-N 2.86Å; E210-Q212 VanDerWaalsContact C-N 3.25Å; E210-Q212 PolarHBondContact O-N 3.15Å
213	C	90.3	Very high	93	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-85	-39.2	-174.7	-60.5	0	0	0	0	113.5	C102 V209 E210 L216 N217	C102-C213 HydrophobicContact CB-CB 3.48Å; C102-C213 VanDerWaalsContact CB-CB 3.48Å; C102-C213 WeakPolarHBondContact CB-SG 3.35Å; C102-C213 WeakPolarHBondContact SG-CB 3.41Å; C102-C213 CovalentContact SG-SG 2.03Å; C102-C213 PolarHBondContact SG-SG 3.03Å; V209-C213 PolarHBondContact O-N 3.45Å; V209-C213 VanDerWaalsContact O-N 3.08Å; V209-C213 PolarHBondContact O-SG 3.29Å; E210-C213 PolarHBondContact O-N 2.99Å; C213-L216 PolarHBondContact O-N 2.96Å; C213-N217 WeakPolarHBondContact O-CB 3.39Å; C213-N217 PolarHBondContact O-N 3.31Å; C213-N217 PolarHBondContact O-ND2 2.95Å
214	H	92.7	Very high	92.8	Very high	125 Å²	125	41.5 Å²	41.5	58%	0.579	23%	0.234	S	C	*	.	H	α-helix	trans	-61.8	-43.7	-175.5	-77.2	-51.9	0	0	0	114	E210 L216 N217 G218	E210-H214 VanDerWaalsContact O-CB 3.31Å; E210-H214 WeakPolarHBondContact O-CB 3.01Å; E210-H214 PolarHBondContact O-CD2 3.4Å; E210-H214 PolarHBondContact O-N 3.02Å; H214-L216 VanDerWaalsContact C-N 3.28Å; H214-L216 PolarHBondContact O-N 3.21Å; H214-N217 CarbonylContact O-C 3.48Å; H214-N217 PolarHBondContact O-N 3.09Å; H214-G218 PolarHBondContact O-N 2.98Å
215	P	92.8	Very high	92.7	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.032	24%	0.238	C	C	.	.	H	α-helix	trans	-56.6	-41.6	174.9	-29.6	38.8	0	0	0	112.9	E211 G218 Y295 E299 L300	E211-P215 WeakPolarHBondContact O-CD 3.21Å; E211-P215 WeakPolarHBondContact O-CG 3.44Å; P215-G218 PolarHBondContact O-N 3.34Å; P215-Y295 WeakPolarHBondContact O-CE1 3.47Å; P215-Y295 PolarHBondContact O-OH 3.16Å; P215-E299 HydrophobicContact CB-CB 3.79Å; P215-E299 HydrophobicContact CB-CG 4.48Å; P215-E299 HydrophobicContact CG-CB 4.11Å; P215-L300 HydrophobicContact CB-CD2 3.56Å; P215-L300 HydrophobicContact CB-CG 4.13Å; P215-L300 HydrophobicContact CG-CD2 3.92Å
216	L	90.1	Very high	92.6	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-38.7	179.6	-64.7	174.9	0	0	0	111.7	V166 W167 L170 C213 H214 G218 V273 F296	V166-L216 HydrophobicContact CG1-CB 4.45Å; V166-L216 WeakPolarHBondContact CG1-O 3.45Å; V166-L216 HydrophobicContact CG2-CB 4.42Å; W167-L216 HydrophobicContact CD2-CD1 4.43Å; W167-L216 HydrophobicContact CE3-CD1 4.25Å; W167-L216 HydrophobicContact CH2-CD1 3.3Å; W167-L216 HydrophobicContact CZ2-CB 4.23Å; W167-L216 HydrophobicContact CZ2-CD1 3.48Å; W167-L216 VanDerWaalsContact CZ2-CD1 3.48Å; W167-L216 HydrophobicContact CZ2-CG 4.49Å; W167-L216 HydrophobicContact CZ3-CD1 3.71Å; L170-L216 HydrophobicContact CD1-CD1 3.81Å; L170-L216 HydrophobicContact CD1-CD2 4Å; C213-L216 PolarHBondContact O-N 2.96Å; H214-L216 VanDerWaalsContact C-N 3.28Å; H214-L216 PolarHBondContact O-N 3.21Å; L216-G218 VanDerWaalsContact C-N 3.3Å; L216-G218 PolarHBondContact O-N 3.37Å; L216-V273 HydrophobicContact CD2-CG1 3.99Å; L216-F296 HydrophobicContact CD2-CE1 3.83Å; L216-F296 HydrophobicContact CD2-CZ 4.21Å
217	N	89	Confident	92.4	Very high	44 Å²	44	42 Å²	42	24%	0.235	23%	0.227	C	C	.	.	H	α-helix	trans	-81.8	-4.6	-179	-69.7	-26.5	0	0	0	114.1	C102 R164 W167 C213 H214	C102-N217 PolarHBondContact O-ND2 3.18Å; C102-N217 VanDerWaalsContact O-ND2 3.16Å; R164-N217 WeakPolarHBondContact CD-OD1 3.4Å; W167-N217 PolarHBondContact NE1-OD1 3.45Å; W167-N217 VanDerWaalsContact NE1-OD1 3.12Å; C213-N217 WeakPolarHBondContact O-CB 3.39Å; C213-N217 PolarHBondContact O-N 3.31Å; C213-N217 PolarHBondContact O-ND2 2.95Å; H214-N217 CarbonylContact O-C 3.48Å; H214-N217 PolarHBondContact O-N 3.09Å
218	G	89.4	Confident	92.3	Very high	46 Å²	46	41.5 Å²	41.5	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.3	-175.9	0	0	0	0	0	115.4	H214 P215 L216 Y295	H214-G218 PolarHBondContact O-N 2.98Å; P215-G218 PolarHBondContact O-N 3.34Å; L216-G218 VanDerWaalsContact C-N 3.3Å; L216-G218 PolarHBondContact O-N 3.37Å; G218-Y295 WeakPolarHBondContact CA-OH 3.32Å
219	L	91	Very high	92.3	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.084	21%	0.212	C	C	.	.	S	Bend	trans	-66.4	145	173.7	-72.3	-176.8	0	0	0	111.7	Q223 V224 I292 Y295 F296	L219-Q223 HydrophobicContact CB-CB 4.48Å; L219-Q223 HydrophobicContact CD2-CB 4.47Å; L219-V224 HydrophobicContact CB-CG2 3.51Å; L219-V224 HydrophobicContact CD1-CG2 4.11Å; L219-V224 HydrophobicContact CG-CG2 4.49Å; L219-I292 HydrophobicContact CD1-CG2 4.41Å; L219-I292 HydrophobicContact CD2-CG1 4.37Å; L219-Y295 HydrophobicContact CD2-CD1 3.42Å; L219-Y295 VanDerWaalsContact CD2-CD1 3.42Å; L219-Y295 HydrophobicContact CD2-CE1 3.72Å; L219-Y295 HydrophobicContact CD2-CG 4.14Å; L219-Y295 HydrophobicContact CG-CD1 4.22Å; L219-Y295 HydrophobicContact CG-CE1 4.08Å; L219-F296 HydrophobicContact CD1-CE1 4.25Å; L219-F296 HydrophobicContact CD1-CE2 3.86Å; L219-F296 HydrophobicContact CD1-CZ 3.41Å; L219-F296 VanDerWaalsContact CD1-CZ 3.41Å; L219-F296 HydrophobicContact CD2-CZ 4.46Å; L219-F296 HydrophobicContact CG-CE1 4.34Å; L219-F296 HydrophobicContact CG-CZ 3.97Å
220	N	92.4	Very high	92.3	Very high	74 Å²	74	38.9 Å²	38.9	40%	0.396	21%	0.214	S	C	.	.			trans	-73.4	157.1	174.5	72.7	38.7	0	0	0	111.4	S222 Q223 V224	N220-S222 VanDerWaalsContact C-N 3.28Å; N220-S222 PolarHBondContact O-N 3.35Å; N220-S222 PolarHBondContact OD1-N 2.86Å; N220-S222 PolarHBondContact OD1-OG 3.47Å; N220-Q223 VanDerWaalsContact CG-OE1 3.25Å; N220-Q223 VanDerWaalsContact ND2-CD 3.32Å; N220-Q223 PolarHBondContact ND2-OE1 2.97Å; N220-Q223 PolarHBondContact O-N 2.85Å; N220-Q223 VanDerWaalsContact O-N 3.13Å; N220-Q223 VanDerWaalsContact OD1-CB 3.23Å; N220-Q223 WeakPolarHBondContact OD1-CB 3.47Å; N220-Q223 WeakPolarHBondContact OD1-CG 3.44Å; N220-Q223 PolarHBondContact OD1-N 3.22Å; N220-Q223 PolarHBondContact OD1-OE1 3.22Å; N220-V224 WeakPolarHBondContact O-CG2 3.22Å; N220-V224 PolarHBondContact O-N 3.14Å
221	L	91	Very high	92.3	Very high	96 Å²	96	35 Å²	35	50%	0.503	20%	0.195	S	C	.	.	H	α-helix	trans	-58	-39.3	-175	-178.5	60.7	0	0	0	112.5	V114 V224 I225	V114-L221 HydrophobicContact CG1-CD1 3.78Å; L221-V224 PolarHBondContact O-N 2.96Å; L221-I225 HydrophobicContact CD1-CD1 4.01Å; L221-I225 HydrophobicContact CD1-CG1 4.19Å; L221-I225 HydrophobicContact CD2-CD1 4.44Å; L221-I225 HydrophobicContact CG-CD1 3.79Å; L221-I225 HydrophobicContact CG-CG1 4.39Å; L221-I225 WeakPolarHBondContact O-CB 3.41Å; L221-I225 VanDerWaalsContact O-CG1 3.25Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.32Å
222	S	93.3	Very high	92.3	Very high	81 Å²	81	33.7 Å²	33.7	57%	0.566	19%	0.189	S	C	*	.	H	α-helix	trans	-62.8	-41.9	177.3	40.2	0	0	0	0	113.2	N220 I225 F226	N220-S222 VanDerWaalsContact C-N 3.28Å; N220-S222 PolarHBondContact O-N 3.35Å; N220-S222 PolarHBondContact OD1-N 2.86Å; N220-S222 PolarHBondContact OD1-OG 3.47Å; S222-I225 PolarHBondContact O-N 3.48Å; S222-F226 WeakPolarHBondContact O-CB 3.24Å; S222-F226 PolarHBondContact O-N 3.29Å
223	Q	94.1	Very high	92.5	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-43.5	177.2	-78.1	168.9	-25.8	0	0	110.6	L219 N220 F226 A227 T288 I292	L219-Q223 HydrophobicContact CB-CB 4.48Å; L219-Q223 HydrophobicContact CD2-CB 4.47Å; N220-Q223 VanDerWaalsContact CG-OE1 3.25Å; N220-Q223 VanDerWaalsContact ND2-CD 3.32Å; N220-Q223 PolarHBondContact ND2-OE1 2.97Å; N220-Q223 PolarHBondContact O-N 2.85Å; N220-Q223 VanDerWaalsContact O-N 3.13Å; N220-Q223 VanDerWaalsContact OD1-CB 3.23Å; N220-Q223 WeakPolarHBondContact OD1-CB 3.47Å; N220-Q223 WeakPolarHBondContact OD1-CG 3.44Å; N220-Q223 PolarHBondContact OD1-N 3.22Å; N220-Q223 PolarHBondContact OD1-OE1 3.22Å; Q223-F226 PolarHBondContact O-N 2.04Å; Q223-A227 VanDerWaalsContact O-CB 3.3Å; Q223-A227 WeakPolarHBondContact O-CB 3.38Å; Q223-A227 PolarHBondContact O-N 3.46Å; Q223-T288 HydrophobicContact CG-CG2 4.26Å; Q223-I292 HydrophobicContact CB-CD1 3.82Å; Q223-I292 HydrophobicContact CB-CG1 3.9Å; Q223-I292 HydrophobicContact CG-CD1 4.09Å; Q223-I292 HydrophobicContact CG-CG1 3.85Å
224	V	93.1	Very high	92.4	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-41.5	177.7	-177.8	0	0	0	0	111.2	P165 V166 L219 N220 L221 F226 A227 L228	P165-V224 HydrophobicContact CB-CG1 3.62Å; P165-V224 HydrophobicContact CG-CG1 4.29Å; V166-V224 HydrophobicContact CB-CG1 4.13Å; V166-V224 HydrophobicContact CB-CG2 4.4Å; L219-V224 HydrophobicContact CB-CG2 3.51Å; L219-V224 HydrophobicContact CD1-CG2 4.11Å; L219-V224 HydrophobicContact CG-CG2 4.49Å; N220-V224 WeakPolarHBondContact O-CG2 3.22Å; N220-V224 PolarHBondContact O-N 3.14Å; L221-V224 PolarHBondContact O-N 2.96Å; V224-F226 VanDerWaalsContact C-N 3.35Å; V224-A227 PolarHBondContact O-N 2.82Å; V224-L228 WeakPolarHBondContact O-CB 3.46Å; V224-L228 PolarHBondContact O-N 2.66Å
225	I	94.6	Very high	92.2	Very high	40 Å²	40	32.4 Å²	32.4	21%	0.205	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-45.8	175.2	-75.1	170.5	0	0	0	110.5	L115 P116 I119 L221 S222 N229	L115-I225 HydrophobicContact CD2-CG1 4.3Å; P116-I225 HydrophobicContact CG-CD1 4.1Å; P116-I225 HydrophobicContact CG-CG2 4.28Å; I119-I225 HydrophobicContact CD1-CG2 3.6Å; L221-I225 HydrophobicContact CD1-CD1 4.01Å; L221-I225 HydrophobicContact CD1-CG1 4.19Å; L221-I225 HydrophobicContact CD2-CD1 4.44Å; L221-I225 HydrophobicContact CG-CD1 3.79Å; L221-I225 HydrophobicContact CG-CG1 4.39Å; L221-I225 WeakPolarHBondContact O-CB 3.41Å; L221-I225 VanDerWaalsContact O-CG1 3.25Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.32Å; S222-I225 PolarHBondContact O-N 3.48Å; I225-N229 VanDerWaalsContact O-CB 3.3Å; I225-N229 WeakPolarHBondContact O-CB 3.48Å; I225-N229 PolarHBondContact O-N 2.83Å
226	F	94.7	Very high	92.2	Very high	20 Å²	20	34 Å²	34	9%	0.088	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-51.6	174.9	169.5	-98	0	0	0	111.4	S222 Q223 V224 L228 N229 Q230 F276 L281 E285 T288 A289 I292	S222-F226 WeakPolarHBondContact O-CB 3.24Å; S222-F226 PolarHBondContact O-N 3.29Å; Q223-F226 PolarHBondContact O-N 2.04Å; V224-F226 VanDerWaalsContact C-N 3.35Å; F226-L228 PolarHBondContact O-N 2.94Å; F226-N229 WeakPolarHBondContact O-CB 3.41Å; F226-N229 PolarHBondContact O-N 3.24Å; F226-N229 VanDerWaalsContact O-N 3.14Å; F226-Q230 HydrophobicContact CD1-CG 4.43Å; F226-Q230 HydrophobicContact CD2-CG 4.2Å; F226-Q230 HydrophobicContact CE1-CG 3.99Å; F226-Q230 HydrophobicContact CE2-CG 3.71Å; F226-Q230 HydrophobicContact CZ-CG 3.61Å; F226-Q230 WeakPolarHBondContact O-CG 3.44Å; F226-Q230 PolarHBondContact O-N 2.88Å; F226-F276 HydrophobicContact CE1-CB 4.3Å; F226-L281 HydrophobicContact CZ-CD1 4.45Å; F226-E285 HydrophobicContact CD2-CG 4.27Å; F226-E285 HydrophobicContact CE2-CB 3.65Å; F226-E285 HydrophobicContact CE2-CG 3.69Å; F226-E285 HydrophobicContact CZ-CB 4.15Å; F226-E285 WeakPolarHBondContact CZ-O 3.3Å; F226-T288 HydrophobicContact CB-CG2 4.19Å; F226-T288 HydrophobicContact CD1-CG2 3.73Å; F226-T288 HydrophobicContact CE1-CG2 4.24Å; F226-T288 HydrophobicContact CG-CG2 3.88Å; F226-A289 HydrophobicContact CE1-CB 3.97Å; F226-A289 HydrophobicContact CZ-CB 4.11Å; F226-I292 HydrophobicContact CD1-CD1 3.74Å; F226-I292 HydrophobicContact CE1-CD1 4.29Å
227	A	93.4	Very high	92.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-40.7	-177.2	0	0	0	0	0	112.7	M169 Q223 V224 T231 F276 I292	M169-A227 HydrophobicContact SD-CB 3.43Å; M169-A227 WeakPolarHBondContact SD-CB 3.43Å; Q223-A227 VanDerWaalsContact O-CB 3.3Å; Q223-A227 WeakPolarHBondContact O-CB 3.38Å; Q223-A227 PolarHBondContact O-N 3.46Å; V224-A227 PolarHBondContact O-N 2.82Å; A227-T231 VanDerWaalsContact O-CB 3.29Å; A227-T231 WeakPolarHBondContact O-CB 3.5Å; A227-T231 PolarHBondContact O-N 2.92Å; A227-T231 PolarHBondContact O-OG1 3.04Å; A227-F276 HydrophobicContact CB-CD2 4.46Å; A227-F276 HydrophobicContact CB-CE1 4.15Å; A227-F276 HydrophobicContact CB-CE2 3.83Å; A227-F276 HydrophobicContact CB-CZ 3.66Å; A227-I292 HydrophobicContact CB-CD1 4.33Å
228	L	94.3	Very high	92	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-40.1	173.9	-179.3	59.9	0	0	0	111.7	L115 I119 P165 V168 M169 V224 F226 T231 L232	L115-L228 HydrophobicContact CD1-CD2 3.79Å; L115-L228 HydrophobicContact CD2-CD2 3.98Å; I119-L228 HydrophobicContact CG2-CD2 3.83Å; I119-L228 HydrophobicContact CG2-CG 4.14Å; P165-L228 HydrophobicContact CB-CD2 4.44Å; V168-L228 HydrophobicContact CG1-CD1 4.23Å; M169-L228 HydrophobicContact CB-CB 4.45Å; M169-L228 HydrophobicContact CB-CD1 4.06Å; V224-L228 WeakPolarHBondContact O-CB 3.46Å; V224-L228 PolarHBondContact O-N 2.66Å; F226-L228 PolarHBondContact O-N 2.94Å; L228-T231 PolarHBondContact O-N 3.43Å; L228-L232 HydrophobicContact CD1-CD1 4.39Å; L228-L232 HydrophobicContact CD1-CG 4.32Å; L228-L232 HydrophobicContact CG-CD1 4.26Å; L228-L232 WeakPolarHBondContact O-CG 3.42Å; L228-L232 PolarHBondContact O-N 3.11Å
229	N	94.9	Very high	92	Very high	47 Å²	47	38 Å²	38	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-47.4	176.2	-175.7	27.1	0	0	0	111.7	I119 R122 I225 F226 T231 L232 L233	I119-N229 HydrophobicContact CD1-CB 4.22Å; R122-N229 PolarHBondContact NH1-OD1 3.38Å; I225-N229 VanDerWaalsContact O-CB 3.3Å; I225-N229 WeakPolarHBondContact O-CB 3.48Å; I225-N229 PolarHBondContact O-N 2.83Å; F226-N229 WeakPolarHBondContact O-CB 3.41Å; F226-N229 PolarHBondContact O-N 3.24Å; F226-N229 VanDerWaalsContact O-N 3.14Å; N229-T231 VanDerWaalsContact C-N 3.33Å; N229-T231 PolarHBondContact O-N 2.87Å; N229-L232 PolarHBondContact O-N 2.94Å; N229-L233 WeakPolarHBondContact O-CB 3.27Å; N229-L233 PolarHBondContact O-N 3.47Å
230	Q	92.1	Very high	91.9	Very high	24 Å²	24	40.6 Å²	40.6	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-40.7	176.4	-66	-55.8	-38.6	0	0	111.8	F226 L233 Q234 F276 E285	F226-Q230 HydrophobicContact CD1-CG 4.43Å; F226-Q230 HydrophobicContact CD2-CG 4.2Å; F226-Q230 HydrophobicContact CE1-CG 3.99Å; F226-Q230 HydrophobicContact CE2-CG 3.71Å; F226-Q230 HydrophobicContact CZ-CG 3.61Å; F226-Q230 WeakPolarHBondContact O-CG 3.44Å; F226-Q230 PolarHBondContact O-N 2.88Å; Q230-L233 PolarHBondContact O-N 3.21Å; Q230-Q234 WeakPolarHBondContact O-CB 3.25Å; Q230-Q234 PolarHBondContact O-N 3.47Å; Q230-F276 HydrophobicContact CB-CD1 3.92Å; Q230-F276 HydrophobicContact CB-CE1 4.42Å; Q230-E285 PolarHBondContact NE2-OE2 2.81Å; Q230-E285 VanDerWaalsContact NE2-OE2 3.15Å
231	T	91.9	Very high	91.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-49	174.6	-68.4	0	0	0	0	111.7	M169 V172 N173 A227 L228 N229 L233 Q234 Q235	M169-T231 HydrophobicContact CG-CG2 4.23Å; M169-T231 WeakPolarHBondContact CG-OG1 3.28Å; V172-T231 HydrophobicContact CB-CG2 4.08Å; V172-T231 HydrophobicContact CG1-CG2 3.62Å; N173-T231 VanDerWaalsContact ND2-CG2 3.28Å; N173-T231 WeakPolarHBondContact ND2-CG2 3.48Å; N173-T231 PolarHBondContact ND2-OG1 3.31Å; N173-T231 WeakPolarHBondContact OD1-CG2 3.48Å; A227-T231 VanDerWaalsContact O-CB 3.29Å; A227-T231 WeakPolarHBondContact O-CB 3.5Å; A227-T231 PolarHBondContact O-N 2.92Å; A227-T231 PolarHBondContact O-OG1 3.04Å; L228-T231 PolarHBondContact O-N 3.43Å; N229-T231 VanDerWaalsContact C-N 3.33Å; N229-T231 PolarHBondContact O-N 2.87Å; T231-L233 VanDerWaalsContact C-N 3.33Å; T231-L233 PolarHBondContact O-N 3.16Å; T231-Q234 PolarHBondContact O-N 3.24Å; T231-Q235 WeakPolarHBondContact O-CG 3.48Å; T231-Q235 PolarHBondContact O-N 3.46Å
232	L	94.3	Very high	90.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-40.2	178.4	-72	170.5	0	0	0	112	I119 R122 L123 H126 V172 L228 N229 Q235 E236	I119-L232 HydrophobicContact CG2-CD1 4.06Å; R122-L232 HydrophobicContact CB-CD1 4.2Å; L123-L232 HydrophobicContact CB-CD1 4.14Å; L123-L232 HydrophobicContact CB-CD2 4.38Å; L123-L232 HydrophobicContact CD1-CD2 4.19Å; H126-L232 HydrophobicContact CB-CD2 4.17Å; V172-L232 HydrophobicContact CG1-CD2 4.46Å; L228-L232 HydrophobicContact CD1-CD1 4.39Å; L228-L232 HydrophobicContact CD1-CG 4.32Å; L228-L232 HydrophobicContact CG-CD1 4.26Å; L228-L232 WeakPolarHBondContact O-CG 3.42Å; L228-L232 PolarHBondContact O-N 3.11Å; N229-L232 PolarHBondContact O-N 2.94Å; L232-Q235 PolarHBondContact O-N 3.29Å; L232-E236 WeakPolarHBondContact O-CB 3.28Å; L232-E236 WeakPolarHBondContact O-CG 3.15Å; L232-E236 PolarHBondContact O-N 3.33Å
233	L	92.3	Very high	89.6	Confident	68 Å²	68	39 Å²	39	36%	0.356	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-44	175.5	179.5	62.2	0	0	0	111.5	N229 Q230 T231 Q235 E236 N237	N229-L233 WeakPolarHBondContact O-CB 3.27Å; N229-L233 PolarHBondContact O-N 3.47Å; Q230-L233 PolarHBondContact O-N 3.21Å; T231-L233 VanDerWaalsContact C-N 3.33Å; T231-L233 PolarHBondContact O-N 3.16Å; L233-Q235 PolarHBondContact O-N 3.43Å; L233-E236 WeakPolarHBondContact O-CB 3.42Å; L233-E236 PolarHBondContact O-N 3.46Å; L233-N237 VanDerWaalsContact O-CG 3.24Å; L233-N237 PolarHBondContact O-N 3.02Å; L233-N237 PolarHBondContact O-ND2 3.36Å
234	Q	88.3	Confident	88.2	Confident	53 Å²	53	46.8 Å²	46.8	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-47.9	175.4	-175.4	179.4	16	0	0	111.1	Q230 T231 E236 N237 L238	Q230-Q234 WeakPolarHBondContact O-CB 3.25Å; Q230-Q234 PolarHBondContact O-N 3.47Å; T231-Q234 PolarHBondContact O-N 3.24Å; Q234-E236 VanDerWaalsContact C-N 3.3Å; Q234-E236 PolarHBondContact O-N 2.96Å; Q234-N237 PolarHBondContact O-N 3.21Å; Q234-L238 HydrophobicContact CG-CD1 4.35Å; Q234-L238 WeakPolarHBondContact O-CG 3.47Å; Q234-L238 PolarHBondContact O-N 2.92Å
235	Q	90.3	Very high	86.9	Confident	15 Å²	15	49.1 Å²	49.1	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-35.5	177.9	-65.4	-58.5	-29.4	0	0	112.4	V172 N173 T231 L232 L233 R239	V172-Q235 HydrophobicContact CG1-CG 3.73Å; N173-Q235 PolarHBondContact OD1-NE2 3.27Å; T231-Q235 WeakPolarHBondContact O-CG 3.48Å; T231-Q235 PolarHBondContact O-N 3.46Å; L232-Q235 PolarHBondContact O-N 3.29Å; L233-Q235 PolarHBondContact O-N 3.43Å; Q235-R239 WeakPolarHBondContact O-CG 3.44Å; Q235-R239 PolarHBondContact O-N 2.8Å; Q235-R239 VanDerWaalsContact O-N 3.16Å; Q235-R239 PolarHBondContact O-NH1 3.21Å
236	E	92.1	Very high	85.2	Confident	38 Å²	38	52.1 Å²	52.1	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-46.3	173	-76.1	161.3	173.7	0	0	111.4	R122 R125 L232 L233 Q234 R239 A240	R122-E236 IonicContact CZ-OE1 2.67Å; R122-E236 IonicContact CZ-OE2 3.76Å; R122-E236 IonicContact NE-OE1 2.83Å; R122-E236 PolarHBondContact NE-OE1 2.84Å; R122-E236 IonicContact NE-OE2 3.69Å; R122-E236 IonicContact NH2-OE1 3.97Å; R122-E236 PolarHBondContact NH2-OE1 2.87Å; R122-E236 IonicContact NH2-OE2 3.85Å; R122-E236 PolarHBondContact NH2-OE2 2.92Å; R125-E236 IonicContact NH2-OE1 3.38Å; L232-E236 WeakPolarHBondContact O-CB 3.28Å; L232-E236 WeakPolarHBondContact O-CG 3.15Å; L232-E236 PolarHBondContact O-N 3.33Å; L233-E236 WeakPolarHBondContact O-CB 3.42Å; L233-E236 PolarHBondContact O-N 3.46Å; Q234-E236 VanDerWaalsContact C-N 3.3Å; Q234-E236 PolarHBondContact O-N 2.96Å; E236-R239 PolarHBondContact O-N 3.48Å; E236-A240 PolarHBondContact O-N 2.9Å
237	N	88.9	Confident	84.1	Confident	55 Å²	55	57.4 Å²	57.4	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-37.9	178.2	-68.9	-22.2	0	0	0	112.9	L233 Q234 R239 A240 G241 S242 V243	L233-N237 VanDerWaalsContact O-CG 3.24Å; L233-N237 PolarHBondContact O-N 3.02Å; L233-N237 PolarHBondContact O-ND2 3.36Å; Q234-N237 PolarHBondContact O-N 3.21Å; N237-R239 VanDerWaalsContact C-N 3.35Å; N237-A240 CarbonylContact O-C 3.56Å; N237-A240 PolarHBondContact O-N 2.78Å; N237-G241 PolarHBondContact O-N 3.36Å; N237-G241 VanDerWaalsContact O-N 3.16Å; N237-S242 PolarHBondContact O-N 2.62Å; N237-V243 HydrophobicContact CB-CB 4.15Å; N237-V243 HydrophobicContact CB-CG2 3.64Å
238	L	85.9	Confident	83.3	Confident	55 Å²	55	59.6 Å²	59.6	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-43.5	174.8	-72.6	172.9	0	0	0	111.3	Q234 A240 G241 V245	Q234-L238 HydrophobicContact CG-CD1 4.35Å; Q234-L238 WeakPolarHBondContact O-CG 3.47Å; Q234-L238 PolarHBondContact O-N 2.92Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.3Å; L238-G241 PolarHBondContact O-N 3.47Å; L238-G241 VanDerWaalsContact O-N 3.08Å; L238-V245 HydrophobicContact CD1-CG2 4.26Å; L238-V245 HydrophobicContact CD2-CG2 3.58Å
239	R	88.9	Confident	82.7	Confident	82 Å²	82	62.3 Å²	62.3	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-34.1	175.7	-69.7	-171	-49.2	-85.9	12.6	113	H126 Y129 Q235 E236 N237 G241	H126-R239 PolarHBondContact CE1-NH1 3.13Å; H126-R239 VanDerWaalsContact CE1-NH1 3.34Å; H126-R239 PolarHBondContact ND1-NH1 3.48Å; Y129-R239 VanDerWaalsContact CD1-CD 3.43Å; Y129-R239 HydrophobicContact CE1-CG 3.86Å; Q235-R239 WeakPolarHBondContact O-CG 3.44Å; Q235-R239 PolarHBondContact O-N 2.8Å; Q235-R239 VanDerWaalsContact O-N 3.16Å; Q235-R239 PolarHBondContact O-NH1 3.21Å; E236-R239 PolarHBondContact O-N 3.48Å; N237-R239 VanDerWaalsContact C-N 3.35Å; R239-G241 PolarHBondContact O-N 3.04Å
240	A	89.6	Confident	82.2	Confident	70 Å²	70	63.8 Å²	63.8	58%	0.579	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.7	175.3	0	0	0	0	0	113.2	E236 N237 L238 S242	E236-A240 PolarHBondContact O-N 2.9Å; N237-A240 CarbonylContact O-C 3.56Å; N237-A240 PolarHBondContact O-N 2.78Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.3Å; A240-S242 WeakPolarHBondContact CB-OG 3.5Å; A240-S242 PolarHBondContact O-N 2.95Å; A240-S242 PolarHBondContact O-OG 3.16Å
241	G	84.6	Confident	81.9	Confident	68 Å²	68	65.2 Å²	65.2	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	17.5	-175.4	0	0	0	0	0	113.7	N237 L238 R239	N237-G241 PolarHBondContact O-N 3.36Å; N237-G241 VanDerWaalsContact O-N 3.16Å; L238-G241 PolarHBondContact O-N 3.47Å; L238-G241 VanDerWaalsContact O-N 3.08Å; R239-G241 PolarHBondContact O-N 3.04Å
242	S	74.5	Confident	81.7	Confident	86 Å²	86	65.8 Å²	65.8	60%	0.601	37%	0.372	S	S	*	.			trans	-90.7	-9.5	-169.8	-55.5	0	0	0	0	114.3	N237 A240	N237-S242 PolarHBondContact O-N 2.62Å; A240-S242 WeakPolarHBondContact CB-OG 3.5Å; A240-S242 PolarHBondContact O-N 2.95Å; A240-S242 PolarHBondContact O-OG 3.16Å
243	V	69.8	Low	81.5	Confident	62 Å²	62	66.1 Å²	66.1	38%	0.376	37%	0.374	S	S	.	.			trans	-137.5	131.6	-174.8	171	0	0	0	0	110.6	N237	N237-V243 HydrophobicContact CB-CB 4.15Å; N237-V243 HydrophobicContact CB-CG2 3.64Å
244	Q	63	Low	81.3	Confident	187 Å²	187	68.1 Å²	68.1	87%	0.874	38%	0.379	S	S	*	.			trans	-86.6	130.1	159.2	-81.2	179.1	-13.9	0	0	108.8
245	V	65.7	Low	81.2	Confident	59 Å²	59	68.3 Å²	68.3	36%	0.358	38%	0.38	S	S	.	.			trans	-68.1	128.4	174.7	-169.8	0	0	0	0	108	L238 Y247	L238-V245 HydrophobicContact CD1-CG2 4.26Å; L238-V245 HydrophobicContact CD2-CG2 3.58Å; V245-Y247 VanDerWaalsContact CG1-O 3.24Å; V245-Y247 WeakPolarHBondContact CG1-O 3.38Å; V245-Y247 PolarHBondContact O-N 2.89Å
246	P	59.8	Low	81.2	Confident	103 Å²	103	68.1 Å²	68.1	67%	0.669	38%	0.379	S	S	*	.	S	Bend	trans	-65.2	-26.6	-176.6	23.2	-32.4	0	0	0	113.3
247	Y	70.9	Confident	81.1	Confident	132 Å²	132	67 Å²	67	52%	0.518	38%	0.375	S	S	.	.	S	Bend	trans	-139.9	118.8	175.8	-57.4	-71.9	0	0	0	109.8	V245	V245-Y247 VanDerWaalsContact CG1-O 3.24Å; V245-Y247 WeakPolarHBondContact CG1-O 3.38Å; V245-Y247 PolarHBondContact O-N 2.89Å
248	S	78.1	Confident	80.9	Confident	46 Å²	46	66.6 Å²	66.6	32%	0.322	38%	0.375	S	S	.	.			trans	-103.3	161.4	176.8	70.3	0	0	0	0	112.1	E250 D251 L252	S248-E250 PolarHBondContact O-N 2.95Å; S248-E250 PolarHBondContact OG-N 3.27Å; S248-D251 WeakPolarHBondContact CB-OD2 3.34Å; S248-D251 PolarHBondContact N-OD2 3.43Å; S248-D251 WeakPolarHBondContact O-CB 3.48Å; S248-D251 PolarHBondContact O-N 2.9Å; S248-D251 VanDerWaalsContact OG-CG 3.26Å; S248-D251 PolarHBondContact OG-N 3.41Å; S248-D251 VanDerWaalsContact OG-N 3.12Å; S248-D251 PolarHBondContact OG-OD2 3.22Å; S248-L252 PolarHBondContact O-N 3.42Å; S248-L252 VanDerWaalsContact O-N 3.09Å
249	T	81.7	Confident	80.8	Confident	58 Å²	58	64.1 Å²	64.1	36%	0.356	36%	0.363	S	S	.	.	H	α-helix	trans	-56.2	-30.5	168.7	-51.1	0	0	0	0	111.8	V61 L252 I253	V61-T249 HydrophobicContact CG1-CG2 3.78Å; T249-L252 WeakPolarHBondContact O-CB 3.43Å; T249-L252 PolarHBondContact O-N 2.9Å; T249-I253 HydrophobicContact CG2-CD1 4.2Å; T249-I253 VanDerWaalsContact O-CG1 3.29Å; T249-I253 WeakPolarHBondContact O-CG1 3.38Å; T249-I253 PolarHBondContact O-N 3.38Å
250	E	84.6	Confident	80.5	Confident	78 Å²	78	63 Å²	63	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-68.9	-36.5	175.6	-67.4	-64	152.5	0	0	112	R65 S248 K254	R65-E250 IonicContact CZ-OE1 2.72Å; R65-E250 IonicContact CZ-OE2 3.97Å; R65-E250 IonicContact NH1-OE1 2.73Å; R65-E250 PolarHBondContact NH1-OE1 3.3Å; R65-E250 IonicContact NH1-OE2 3.35Å; R65-E250 VanDerWaalsContact NH2-CD 3.32Å; R65-E250 IonicContact NH2-OE1 3.27Å; R65-E250 PolarHBondContact NH2-OE1 3.07Å; R65-E250 VanDerWaalsContact NH2-OE1 3.13Å; R65-E250 IonicContact NH2-OE2 2.62Å; R65-E250 PolarHBondContact NH2-OE2 3.43Å; S248-E250 PolarHBondContact O-N 2.95Å; S248-E250 PolarHBondContact OG-N 3.27Å; E250-K254 VanDerWaalsContact O-CB 3.28Å; E250-K254 WeakPolarHBondContact O-CB 3.4Å; E250-K254 PolarHBondContact O-N 2.84Å
251	D	84.9	Confident	80	Confident	54 Å²	54	62.5 Å²	62.5	29%	0.289	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-44.1	172	-59.1	-54.6	0	0	0	110.6	S248 I253 K254 H255 I265	S248-D251 WeakPolarHBondContact CB-OD2 3.34Å; S248-D251 PolarHBondContact N-OD2 3.43Å; S248-D251 WeakPolarHBondContact O-CB 3.48Å; S248-D251 PolarHBondContact O-N 2.9Å; S248-D251 VanDerWaalsContact OG-CG 3.26Å; S248-D251 PolarHBondContact OG-N 3.41Å; S248-D251 VanDerWaalsContact OG-N 3.12Å; S248-D251 PolarHBondContact OG-OD2 3.22Å; D251-I253 PolarHBondContact O-N 2.92Å; D251-K254 WeakPolarHBondContact O-CB 3.46Å; D251-K254 PolarHBondContact O-N 3.37Å; D251-H255 PolarHBondContact O-CD2 3.23Å; D251-H255 PolarHBondContact O-N 3.23Å; D251-I265 HydrophobicContact CB-CD1 4.1Å
252	L	88	Confident	79.8	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.063	34%	0.335	C	S	.	.	H	α-helix	trans	-56.5	-50.5	175.9	176	67.8	0	0	0	111.5	I59 V61 S248 T249 K254 H255 Y256 I265 F266 D269	I59-L252 HydrophobicContact CB-CD2 4.4Å; I59-L252 HydrophobicContact CD1-CD2 4.41Å; I59-L252 HydrophobicContact CD1-CG 4.09Å; I59-L252 HydrophobicContact CG2-CD1 4.16Å; V61-L252 HydrophobicContact CG1-CD2 3.96Å; S248-L252 PolarHBondContact O-N 3.42Å; S248-L252 VanDerWaalsContact O-N 3.09Å; T249-L252 WeakPolarHBondContact O-CB 3.43Å; T249-L252 PolarHBondContact O-N 2.9Å; L252-K254 VanDerWaalsContact C-N 3.3Å; L252-K254 PolarHBondContact O-N 2.66Å; L252-H255 PolarHBondContact O-N 2.89Å; L252-Y256 WeakPolarHBondContact O-CB 3.04Å; L252-Y256 PolarHBondContact O-N 3.39Å; L252-I265 HydrophobicContact CB-CD1 4.18Å; L252-I265 HydrophobicContact CB-CG1 4.26Å; L252-I265 HydrophobicContact CD1-CG1 3.97Å; L252-I265 HydrophobicContact CD1-CG2 4.49Å; L252-F266 HydrophobicContact CD1-CD1 3.63Å; L252-F266 HydrophobicContact CD1-CE1 3.69Å; L252-D269 HydrophobicContact CD1-CB 4.13Å; L252-D269 HydrophobicContact CD2-CB 3.79Å; L252-D269 WeakPolarHBondContact CD2-OD1 3.39Å
253	I	88.9	Confident	80	Confident	7 Å²	7	60 Å²	60	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-44	177.3	-70.1	165.4	0	0	0	110.4	V61 R65 V66 T249 D251 Y256 N257	V61-I253 HydrophobicContact CB-CD1 4.28Å; V61-I253 HydrophobicContact CB-CG1 4.12Å; V61-I253 HydrophobicContact CG1-CD1 4.36Å; V61-I253 HydrophobicContact CG1-CG1 3.98Å; V61-I253 HydrophobicContact CG2-CG1 4.01Å; R65-I253 HydrophobicContact CB-CD1 4.1Å; R65-I253 HydrophobicContact CB-CG2 4.35Å; R65-I253 HydrophobicContact CG-CD1 4.33Å; V66-I253 HydrophobicContact CG1-CG2 4.37Å; T249-I253 HydrophobicContact CG2-CD1 4.2Å; T249-I253 VanDerWaalsContact O-CG1 3.29Å; T249-I253 WeakPolarHBondContact O-CG1 3.38Å; T249-I253 PolarHBondContact O-N 3.38Å; D251-I253 PolarHBondContact O-N 2.92Å; I253-Y256 PolarHBondContact O-N 2.92Å; I253-N257 WeakPolarHBondContact CG2-ND2 3.47Å; I253-N257 VanDerWaalsContact O-CB 3.25Å; I253-N257 WeakPolarHBondContact O-CB 3.43Å; I253-N257 PolarHBondContact O-N 2.95Å
254	K	87.8	Confident	80.5	Confident	110 Å²	110	62.1 Å²	62.1	48%	0.478	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-48	179.2	179.7	-178.6	175.8	-175.9	0	111.9	E250 D251 L252 N257 C258	E250-K254 VanDerWaalsContact O-CB 3.28Å; E250-K254 WeakPolarHBondContact O-CB 3.4Å; E250-K254 PolarHBondContact O-N 2.84Å; D251-K254 WeakPolarHBondContact O-CB 3.46Å; D251-K254 PolarHBondContact O-N 3.37Å; L252-K254 VanDerWaalsContact C-N 3.3Å; L252-K254 PolarHBondContact O-N 2.66Å; K254-N257 PolarHBondContact O-N 3.14Å; K254-C258 VanDerWaalsContact O-CB 3.3Å; K254-C258 WeakPolarHBondContact O-CB 3.43Å; K254-C258 PolarHBondContact O-N 2.87Å; K254-C258 PolarHBondContact O-SG 3.17Å
255	H	87.6	Confident	81.2	Confident	58 Å²	58	54 Å²	54	27%	0.269	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-43.5	178	-81.4	-81.5	0	0	0	111.4	D251 L252 C258 G259 D260 I265 F266	D251-H255 PolarHBondContact O-CD2 3.23Å; D251-H255 PolarHBondContact O-N 3.23Å; L252-H255 PolarHBondContact O-N 2.89Å; H255-C258 PolarHBondContact O-N 2.8Å; H255-G259 PolarHBondContact O-N 3.28Å; H255-D260 HydrophobicContact CB-CB 4.16Å; H255-D260 IonicContact CE1-OD2 3.03Å; H255-D260 PolarHBondContact CE1-OD2 2.98Å; H255-D260 VanDerWaalsContact CE1-OD2 3.23Å; H255-D260 IonicContact CG-OD2 3.43Å; H255-D260 IonicContact ND1-OD2 3.62Å; H255-D260 PolarHBondContact ND1-OD2 3.24Å; H255-D260 PolarHBondContact O-N 3.48Å; H255-I265 HydrophobicContact CB-CD1 4.39Å; H255-I265 HydrophobicContact CB-CG2 4.31Å; H255-F266 HydrophobicContact CB-CZ 4.19Å
256	Y	90.8	Very high	82	Confident	11 Å²	11	51.1 Å²	51.1	4%	0.043	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-50.8	176.4	-170.5	-93	0	0	0	112.2	F43 F56 G57 I59 V66 I70 L252 I253 C258 G259 F266	F43-Y256 HydrophobicContact CB-CE2 4.32Å; F43-Y256 HydrophobicContact CD1-CD2 4.42Å; F43-Y256 HydrophobicContact CD1-CE2 4.15Å; F43-Y256 AromaticContact CD2-CD2 3.77Å; F43-Y256 HydrophobicContact CD2-CD2 3.77Å; F43-Y256 AromaticContact CD2-CE2 3.46Å; F43-Y256 HydrophobicContact CD2-CE2 3.46Å; F43-Y256 VanDerWaalsContact CD2-CE2 3.46Å; F43-Y256 HydrophobicContact CD2-CG 4.49Å; F43-Y256 AromaticContact CD2-CZ 3.94Å; F43-Y256 HydrophobicContact CE1-CD2 4.14Å; F43-Y256 HydrophobicContact CE1-CE2 4.33Å; F43-Y256 AromaticContact CE2-CD2 3.48Å; F43-Y256 HydrophobicContact CE2-CD2 3.48Å; F43-Y256 VanDerWaalsContact CE2-CD2 3.48Å; F43-Y256 AromaticContact CE2-CE2 3.71Å; F43-Y256 HydrophobicContact CE2-CE2 3.71Å; F43-Y256 HydrophobicContact CE2-CG 4Å; F43-Y256 HydrophobicContact CG-CD2 4.25Å; F43-Y256 AromaticContact CG-CE2 3.71Å; F43-Y256 HydrophobicContact CG-CE2 3.71Å; F43-Y256 AromaticContact CZ-CD2 3.68Å; F43-Y256 HydrophobicContact CZ-CD2 3.68Å; F43-Y256 HydrophobicContact CZ-CE2 4.14Å; F43-Y256 HydrophobicContact CZ-CG 4.4Å; F56-Y256 WeakPolarHBondContact CZ-OH 3.35Å; G57-Y256 WeakPolarHBondContact O-CE2 3.3Å; G57-Y256 PolarHBondContact O-OH 3.12Å; I59-Y256 HydrophobicContact CB-CD2 4.44Å; I59-Y256 HydrophobicContact CD1-CD1 3.96Å; I59-Y256 HydrophobicContact CD1-CD2 3.83Å; I59-Y256 HydrophobicContact CD1-CG 3.51Å; I59-Y256 HydrophobicContact CG1-CD1 4.27Å; I59-Y256 HydrophobicContact CG1-CD2 3.81Å; I59-Y256 HydrophobicContact CG1-CE1 4.48Å; I59-Y256 HydrophobicContact CG1-CE2 4.04Å; I59-Y256 HydrophobicContact CG1-CG 3.93Å; I59-Y256 HydrophobicContact CG2-CD2 3.75Å; I59-Y256 HydrophobicContact CG2-CE2 4.1Å; V66-Y256 HydrophobicContact CB-CD1 4.06Å; V66-Y256 HydrophobicContact CB-CE1 4.05Å; V66-Y256 HydrophobicContact CG1-CD1 3.97Å; V66-Y256 HydrophobicContact CG1-CE1 4.4Å; I70-Y256 HydrophobicContact CG1-CE1 4.14Å; L252-Y256 WeakPolarHBondContact O-CB 3.04Å; L252-Y256 PolarHBondContact O-N 3.39Å; I253-Y256 PolarHBondContact O-N 2.92Å; Y256-C258 VanDerWaalsContact C-N 3.3Å; Y256-C258 PolarHBondContact O-N 2.92Å; Y256-G259 PolarHBondContact O-N 3.32Å; Y256-F266 AromaticContact CD2-CE1 3.92Å; Y256-F266 HydrophobicContact CD2-CE1 3.92Å
257	N	89.5	Confident	82.9	Confident	15 Å²	15	47.4 Å²	47.4	8%	0.08	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-31.4	-179.1	-73.1	-8.3	0	0	0	112.9	R65 V66 F69 I253 K254 G259	R65-N257 PolarHBondContact O-ND2 2.92Å; V66-N257 WeakPolarHBondContact CA-OD1 3.33Å; F69-N257 HydrophobicContact CB-CB 3.94Å; F69-N257 WeakPolarHBondContact CB-OD1 3.19Å; F69-N257 HydrophobicContact CD1-CB 3.74Å; F69-N257 HydrophobicContact CD2-CB 4.06Å; F69-N257 VanDerWaalsContact CD2-ND2 3.27Å; F69-N257 WeakPolarHBondContact CD2-ND2 3.2Å; F69-N257 HydrophobicContact CE1-CB 4.24Å; F69-N257 WeakPolarHBondContact CE2-ND2 3.37Å; F69-N257 HydrophobicContact CG-CB 3.64Å; F69-N257 VanDerWaalsContact CG-CG 3.42Å; I253-N257 WeakPolarHBondContact CG2-ND2 3.47Å; I253-N257 VanDerWaalsContact O-CB 3.25Å; I253-N257 WeakPolarHBondContact O-CB 3.43Å; I253-N257 PolarHBondContact O-N 2.95Å; K254-N257 PolarHBondContact O-N 3.14Å; N257-G259 VanDerWaalsContact C-N 3.28Å
258	C	84.7	Confident	83.3	Confident	45 Å²	45	45.1 Å²	45.1	30%	0.304	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.5	174.2	-67.2	0	0	0	0	113.1	C31 K254 H255 Y256	C31-C258 HydrophobicContact CB-CB 4.2Å; C31-C258 WeakPolarHBondContact CB-SG 3.43Å; C31-C258 WeakPolarHBondContact SG-CA 3.29Å; C31-C258 WeakPolarHBondContact SG-CB 3.47Å; C31-C258 CovalentContact SG-SG 2.04Å; C31-C258 PolarHBondContact SG-SG 3.29Å; K254-C258 VanDerWaalsContact O-CB 3.3Å; K254-C258 WeakPolarHBondContact O-CB 3.43Å; K254-C258 PolarHBondContact O-N 2.87Å; K254-C258 PolarHBondContact O-SG 3.17Å; H255-C258 PolarHBondContact O-N 2.8Å; Y256-C258 VanDerWaalsContact C-N 3.3Å; Y256-C258 PolarHBondContact O-N 2.92Å
259	G	82.9	Confident	83.4	Confident	4 Å²	4	43.7 Å²	43.7	4%	0.041	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	35.1	-177	0	0	0	0	0	113.3	N41 H255 Y256 N257	N41-G259 VanDerWaalsContact CB-O 3.28Å; N41-G259 WeakPolarHBondContact CB-O 3.33Å; N41-G259 PolarHBondContact ND2-O 2.98Å; H255-G259 PolarHBondContact O-N 3.28Å; Y256-G259 PolarHBondContact O-N 3.32Å; N257-G259 VanDerWaalsContact C-N 3.28Å
260	D	83.2	Confident	83.1	Confident	58 Å²	58	41.5 Å²	41.5	31%	0.31	21%	0.214	S	C	.	.			trans	-75.6	132.5	170.3	-171.5	-5.6	0	0	0	109.6	F43 H255 N262 F266	F43-D260 WeakPolarHBondContact CZ-O 3.36Å; H255-D260 HydrophobicContact CB-CB 4.16Å; H255-D260 IonicContact CE1-OD2 3.03Å; H255-D260 PolarHBondContact CE1-OD2 2.98Å; H255-D260 VanDerWaalsContact CE1-OD2 3.23Å; H255-D260 IonicContact CG-OD2 3.43Å; H255-D260 IonicContact ND1-OD2 3.62Å; H255-D260 PolarHBondContact ND1-OD2 3.24Å; H255-D260 PolarHBondContact O-N 3.48Å; D260-N262 WeakPolarHBondContact OD1-CB 3.28Å; D260-N262 PolarHBondContact OD1-N 2.88Å; D260-F266 WeakPolarHBondContact O-CE2 3.29Å; D260-F266 WeakPolarHBondContact O-CZ 3.37Å
261	L	79.9	Confident	82.6	Confident	59 Å²	59	38.7 Å²	38.7	31%	0.309	20%	0.203	S	C	.	.			trans	-100.7	20.8	-179.9	-59.7	179.6	0	0	0	112.3	N41 F43 S263 L334	N41-L261 HydrophobicContact CB-CD1 4.13Å; N41-L261 HydrophobicContact CB-CD2 4.14Å; N41-L261 HydrophobicContact CB-CG 4.07Å; F43-L261 HydrophobicContact CD1-CD2 4.3Å; F43-L261 HydrophobicContact CE1-CD2 4Å; F43-L261 HydrophobicContact CZ-CD2 4.19Å; L261-S263 PolarHBondContact O-N 3.34Å; L261-S263 VanDerWaalsContact O-N 3.16Å; L261-L334 HydrophobicContact CB-CD2 4Å; L261-L334 HydrophobicContact CD2-CD2 4.13Å
262	N	79.8	Confident	82.3	Confident	69 Å²	69	40.6 Å²	40.6	37%	0.369	21%	0.21	S	C	.	.			trans	-63.8	111.6	177	-174.9	-9.2	0	0	0	112.3	D260 I264 F266	D260-N262 WeakPolarHBondContact OD1-CB 3.28Å; D260-N262 PolarHBondContact OD1-N 2.88Å; N262-I264 VanDerWaalsContact C-N 3.3Å; N262-I264 PolarHBondContact O-N 3.12Å; N262-I264 PolarHBondContact OD1-N 3.07Å; N262-F266 WeakPolarHBondContact O-CD2 3.22Å
263	S	79.2	Confident	81.9	Confident	33 Å²	33	40.5 Å²	40.5	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-27.7	-175.3	64.9	0	0	0	0	115.9	L261 I265 F266 N267	L261-S263 PolarHBondContact O-N 3.34Å; L261-S263 VanDerWaalsContact O-N 3.16Å; S263-I265 PolarHBondContact O-N 2.95Å; S263-F266 PolarHBondContact O-N 3.08Å; S263-N267 VanDerWaalsContact O-CB 3.28Å; S263-N267 WeakPolarHBondContact O-CB 3.47Å; S263-N267 PolarHBondContact O-N 2.83Å; S263-N267 PolarHBondContact O-ND2 2.67Å
264	I	79.1	Confident	81.5	Confident	106 Å²	106	41.1 Å²	41.1	54%	0.544	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-48	-170.4	-62	174.2	0	0	0	111	N262 H268	N262-I264 VanDerWaalsContact C-N 3.3Å; N262-I264 PolarHBondContact O-N 3.12Å; N262-I264 PolarHBondContact OD1-N 3.07Å; I264-H268 PolarHBondContact O-N 3.12Å
265	I	79.1	Confident	81.1	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.082	21%	0.213	C	C	.	.	H	α-helix	trans	-69.9	-37	-175.4	-162.8	165.9	0	0	0	111.9	D251 L252 H255 S263 D269	D251-I265 HydrophobicContact CB-CD1 4.1Å; L252-I265 HydrophobicContact CB-CD1 4.18Å; L252-I265 HydrophobicContact CB-CG1 4.26Å; L252-I265 HydrophobicContact CD1-CG1 3.97Å; L252-I265 HydrophobicContact CD1-CG2 4.49Å; H255-I265 HydrophobicContact CB-CD1 4.39Å; H255-I265 HydrophobicContact CB-CG2 4.31Å; S263-I265 PolarHBondContact O-N 2.95Å; I265-D269 PolarHBondContact O-N 2.9Å
266	F	80.6	Confident	80.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-78.1	-29.6	179.8	-59.3	-65.8	0	0	0	112.9	F43 I59 L252 H255 Y256 D260 N262 S263 H268 D269 S270 A330 L334	F43-F266 HydrophobicContact CE1-CD1 4.48Å; F43-F266 HydrophobicContact CE1-CD2 4.32Å; F43-F266 HydrophobicContact CE1-CE1 4.11Å; F43-F266 AromaticContact CE1-CE2 3.94Å; F43-F266 HydrophobicContact CE1-CE2 3.94Å; F43-F266 AromaticContact CE1-CZ 3.82Å; F43-F266 HydrophobicContact CE1-CZ 3.82Å; F43-F266 HydrophobicContact CZ-CE1 4Å; F43-F266 AromaticContact CZ-CE2 3.93Å; F43-F266 HydrophobicContact CZ-CE2 3.93Å; F43-F266 AromaticContact CZ-CZ 3.51Å; F43-F266 HydrophobicContact CZ-CZ 3.51Å; I59-F266 HydrophobicContact CG2-CD1 3.72Å; I59-F266 HydrophobicContact CG2-CE1 3.97Å; L252-F266 HydrophobicContact CD1-CD1 3.63Å; L252-F266 HydrophobicContact CD1-CE1 3.69Å; H255-F266 HydrophobicContact CB-CZ 4.19Å; Y256-F266 AromaticContact CD2-CE1 3.92Å; Y256-F266 HydrophobicContact CD2-CE1 3.92Å; D260-F266 WeakPolarHBondContact O-CE2 3.29Å; D260-F266 WeakPolarHBondContact O-CZ 3.37Å; N262-F266 WeakPolarHBondContact O-CD2 3.22Å; S263-F266 PolarHBondContact O-N 3.08Å; F266-H268 VanDerWaalsContact C-N 3.33Å; F266-D269 PolarHBondContact O-N 2.68Å; F266-S270 PolarHBondContact O-N 3.42Å; F266-S270 PolarHBondContact O-OG 3.23Å; F266-S270 VanDerWaalsContact O-OG 3.12Å; F266-A330 HydrophobicContact CB-CB 4.12Å; F266-A330 HydrophobicContact CD1-CB 3.92Å; F266-A330 HydrophobicContact CG-CB 4.06Å; F266-L334 HydrophobicContact CB-CD1 4.14Å; F266-L334 HydrophobicContact CD2-CD1 3.34Å; F266-L334 HydrophobicContact CE2-CD1 4.03Å; F266-L334 HydrophobicContact CG-CD1 3.93Å
267	N	79.4	Confident	80.2	Confident	25 Å²	25	41 Å²	41	13%	0.134	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-38.8	172.9	-73.7	-15.9	0	0	0	111.4	S263 S270 S271 G331	S263-N267 VanDerWaalsContact O-CB 3.28Å; S263-N267 WeakPolarHBondContact O-CB 3.47Å; S263-N267 PolarHBondContact O-N 2.83Å; S263-N267 PolarHBondContact O-ND2 2.67Å; N267-S270 PolarHBondContact O-N 2.86Å; N267-S271 WeakPolarHBondContact O-CB 3.43Å; N267-S271 PolarHBondContact O-N 3.46Å; N267-S271 PolarHBondContact O-OG 2.88Å; N267-G331 VanDerWaalsContact OD1-CA 3.29Å; N267-G331 WeakPolarHBondContact OD1-CA 3.46Å; N267-G331 PolarHBondContact OD1-O 2.8Å
268	H	80.6	Confident	79.6	Confident	83 Å²	83	43.8 Å²	43.8	38%	0.384	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-45.9	174.2	-171.1	-73.6	0	0	0	110.8	I264 F266 S271 Q272 V273 N275	I264-H268 PolarHBondContact O-N 3.12Å; F266-H268 VanDerWaalsContact C-N 3.33Å; H268-S271 PolarHBondContact O-N 3.03Å; H268-S271 PolarHBondContact O-OG 2.85Å; H268-Q272 PolarHBondContact O-N 3.39Å; H268-V273 PolarHBondContact CE1-O 2.98Å; H268-V273 PolarHBondContact NE2-O 3.15Å; H268-V273 VanDerWaalsContact NE2-O 3.11Å; H268-N275 PolarHBondContact NE2-N 3.17Å
269	D	79.8	Confident	78.7	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-52.3	173.6	-173.2	63.2	0	0	0	111.6	I59 H60 L252 I265 F266 S271 Q272	I59-D269 WeakPolarHBondContact CA-OD2 3.46Å; I59-D269 WeakPolarHBondContact CB-OD2 3.44Å; H60-D269 PolarHBondContact N-OD1 3.44Å; H60-D269 PolarHBondContact N-OD2 3.23Å; L252-D269 HydrophobicContact CD1-CB 4.13Å; L252-D269 HydrophobicContact CD2-CB 3.79Å; L252-D269 WeakPolarHBondContact CD2-OD1 3.39Å; I265-D269 PolarHBondContact O-N 2.9Å; F266-D269 PolarHBondContact O-N 2.68Å; D269-S271 PolarHBondContact O-N 3.34Å; D269-Q272 VanDerWaalsContact O-CD 3.27Å; D269-Q272 VanDerWaalsContact O-CG 3.27Å; D269-Q272 WeakPolarHBondContact O-CG 3.25Å; D269-Q272 PolarHBondContact O-N 3.26Å; D269-Q272 PolarHBondContact O-NE2 3.43Å; D269-Q272 PolarHBondContact OD1-NE2 3.01Å
270	S	75.3	Confident	78.6	Confident	11 Å²	11	51.5 Å²	51.5	8%	0.077	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-25.1	-179.3	-59.2	0	0	0	0	114.1	F266 N267 R304 G331	F266-S270 PolarHBondContact O-N 3.42Å; F266-S270 PolarHBondContact O-OG 3.23Å; F266-S270 VanDerWaalsContact O-OG 3.12Å; N267-S270 PolarHBondContact O-N 2.86Å; S270-R304 PolarHBondContact O-NH1 2.83Å; S270-G331 WeakPolarHBondContact OG-CA 3.43Å; S270-G331 PolarHBondContact OG-N 2.91Å
271	S	72.6	Confident	78.7	Confident	19 Å²	19	49.2 Å²	49.2	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-82.7	-25.4	174.2	75.4	0	0	0	0	114.3	N267 H268 D269 V273 L300	N267-S271 WeakPolarHBondContact O-CB 3.43Å; N267-S271 PolarHBondContact O-N 3.46Å; N267-S271 PolarHBondContact O-OG 2.88Å; H268-S271 PolarHBondContact O-N 3.03Å; H268-S271 PolarHBondContact O-OG 2.85Å; D269-S271 PolarHBondContact O-N 3.34Å; S271-V273 PolarHBondContact O-N 3.17Å; S271-V273 WeakPolarHBondContact OG-CG2 3.43Å; S271-L300 WeakPolarHBondContact O-CD1 3.4Å
272	Q	78.9	Confident	79.2	Confident	94 Å²	94	49.6 Å²	49.6	44%	0.439	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	23.8	-175	-60.8	-68.6	-49.5	0	0	114.5	L170 H268 D269	L170-Q272 WeakPolarHBondContact CD2-O 3.46Å; H268-Q272 PolarHBondContact O-N 3.39Å; D269-Q272 VanDerWaalsContact O-CD 3.27Å; D269-Q272 VanDerWaalsContact O-CG 3.27Å; D269-Q272 WeakPolarHBondContact O-CG 3.25Å; D269-Q272 PolarHBondContact O-N 3.26Å; D269-Q272 PolarHBondContact O-NE2 3.43Å; D269-Q272 PolarHBondContact OD1-NE2 3.01Å
273	V	80.5	Confident	79.6	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	29%	0.293	C	S	.	.			trans	-113.8	147.8	177.7	-65.1	0	0	0	0	111.5	L170 L216 H268 S271 F296 L300	L170-V273 HydrophobicContact CD2-CG1 4.26Å; L216-V273 HydrophobicContact CD2-CG1 3.99Å; H268-V273 PolarHBondContact CE1-O 2.98Å; H268-V273 PolarHBondContact NE2-O 3.15Å; H268-V273 VanDerWaalsContact NE2-O 3.11Å; S271-V273 PolarHBondContact O-N 3.17Å; S271-V273 WeakPolarHBondContact OG-CG2 3.43Å; V273-F296 HydrophobicContact CB-CD2 4.03Å; V273-F296 HydrophobicContact CB-CE2 4.18Å; V273-F296 HydrophobicContact CB-CG 4.48Å; V273-F296 HydrophobicContact CG1-CD1 4.22Å; V273-F296 HydrophobicContact CG1-CD2 3.96Å; V273-F296 HydrophobicContact CG1-CE1 4.2Å; V273-F296 HydrophobicContact CG1-CE2 3.89Å; V273-F296 HydrophobicContact CG1-CG 4.11Å; V273-F296 HydrophobicContact CG1-CZ 4.01Å; V273-F296 HydrophobicContact CG2-CB 4.02Å; V273-F296 HydrophobicContact CG2-CD2 3.8Å; V273-F296 HydrophobicContact CG2-CE2 4.45Å; V273-F296 HydrophobicContact CG2-CG 4.01Å; V273-L300 HydrophobicContact CG1-CD1 4.02Å
274	P	80.1	Confident	80.1	Confident	21 Å²	21	56.1 Å²	56.1	14%	0.136	31%	0.312	C	S	.	.			trans	-71.9	146.6	176.6	-11.7	27	0	0	0	112.1	M169 N173 F276	M169-P274 HydrophobicContact CE-CG 4.43Å; N173-P274 WeakPolarHBondContact ND2-CG 3.29Å; P274-F276 HydrophobicContact CB-CE1 3.91Å; P274-F276 HydrophobicContact CB-CZ 3.85Å; P274-F276 HydrophobicContact CG-CE1 4.26Å; P274-F276 HydrophobicContact CG-CZ 3.91Å; P274-F276 WeakPolarHBondContact O-CE2 3.46Å
275	N	80.3	Confident	80.6	Confident	80 Å²	80	54.1 Å²	54.1	43%	0.428	30%	0.301	S	S	.	.			trans	-83.7	120.5	168.5	-172.4	-6.8	0	0	0	111.2	H268 I277	H268-N275 PolarHBondContact NE2-N 3.17Å; N275-I277 WeakPolarHBondContact OD1-CB 3.45Å; N275-I277 PolarHBondContact OD1-N 3.21Å
276	F	81.6	Confident	81.2	Confident	14 Å²	14	58.3 Å²	58.3	6%	0.061	32%	0.315	C	S	.	.			trans	-95.7	-7.2	-179.9	-56	-65.3	0	0	0	114	M169 F226 A227 Q230 P274 N278 L281 A289 I292	M169-F276 HydrophobicContact CE-CZ 4.3Å; M169-F276 HydrophobicContact SD-CE1 4.42Å; M169-F276 HydrophobicContact SD-CE2 4.36Å; M169-F276 HydrophobicContact SD-CZ 3.59Å; M169-F276 VanDerWaalsContact SD-CZ 3.59Å; F226-F276 HydrophobicContact CE1-CB 4.3Å; A227-F276 HydrophobicContact CB-CD2 4.46Å; A227-F276 HydrophobicContact CB-CE1 4.15Å; A227-F276 HydrophobicContact CB-CE2 3.83Å; A227-F276 HydrophobicContact CB-CZ 3.66Å; Q230-F276 HydrophobicContact CB-CD1 3.92Å; Q230-F276 HydrophobicContact CB-CE1 4.42Å; P274-F276 HydrophobicContact CB-CE1 3.91Å; P274-F276 HydrophobicContact CB-CZ 3.85Å; P274-F276 HydrophobicContact CG-CE1 4.26Å; P274-F276 HydrophobicContact CG-CZ 3.91Å; P274-F276 WeakPolarHBondContact O-CE2 3.46Å; F276-N278 PolarHBondContact O-N 3.44Å; F276-L281 WeakPolarHBondContact O-CD1 3.33Å; F276-A289 HydrophobicContact CB-CB 3.88Å; F276-I292 HydrophobicContact CD2-CG2 4Å; F276-I292 HydrophobicContact CE2-CG2 4.03Å
277	I	76.8	Confident	81.7	Confident	82 Å²	82	61.9 Å²	61.9	42%	0.421	33%	0.334	S	S	.	.			trans	-70.8	109.7	-176.1	-59	174.9	0	0	0	108.9	N275 A289 Q290 D293	N275-I277 WeakPolarHBondContact OD1-CB 3.45Å; N275-I277 PolarHBondContact OD1-N 3.21Å; I277-A289 HydrophobicContact CG1-CB 4.38Å; I277-Q290 HydrophobicContact CD1-CG 4.29Å; I277-Q290 HydrophobicContact CG1-CG 4.48Å; I277-D293 HydrophobicContact CD1-CB 4.07Å
278	N	76.6	Confident	82.3	Confident	74 Å²	74	61.9 Å²	61.9	40%	0.396	34%	0.335	S	S	.	.			trans	-129.5	130.5	177.6	-179	-9.5	0	0	0	110.6	F276 T280 L281	F276-N278 PolarHBondContact O-N 3.44Å; N278-T280 VanDerWaalsContact CG-OG1 3.32Å; N278-T280 PolarHBondContact ND2-OG1 2.85Å; N278-T280 PolarHBondContact O-N 3.49Å; N278-T280 VanDerWaalsContact O-N 3.13Å; N278-T280 PolarHBondContact OD1-N 3.33Å; N278-T280 PolarHBondContact OD1-OG1 3.3Å; N278-L281 HydrophobicContact CB-CD1 4Å; N278-L281 HydrophobicContact CB-CG 3.93Å; N278-L281 WeakPolarHBondContact O-CB 3.46Å; N278-L281 WeakPolarHBondContact O-CG 3.43Å; N278-L281 PolarHBondContact O-N 2.8Å; N278-L281 VanDerWaalsContact O-N 3.13Å
279	S	67.1	Low	82.9	Confident	100 Å²	100	58 Å²	58	70%	0.699	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.3	-178.2	59.9	0	0	0	0	114.2	R286	S279-R286 VanDerWaalsContact O-CZ 3.26Å; S279-R286 PolarHBondContact O-NH2 2.71Å
280	T	81.2	Confident	83.4	Confident	110 Å²	110	61.7 Å²	61.7	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-7.9	174.4	59.7	0	0	0	0	113.7	N278	N278-T280 VanDerWaalsContact CG-OG1 3.32Å; N278-T280 PolarHBondContact ND2-OG1 2.85Å; N278-T280 PolarHBondContact O-N 3.49Å; N278-T280 VanDerWaalsContact O-N 3.13Å; N278-T280 PolarHBondContact OD1-N 3.33Å; N278-T280 PolarHBondContact OD1-OG1 3.3Å
281	L	84.7	Confident	84.3	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.058	35%	0.352	C	S	.	.	S	Bend	trans	-66.1	150	-178.6	-68.3	171	0	0	0	112	F226 F276 N278 E285 R286 A289	F226-L281 HydrophobicContact CZ-CD1 4.45Å; F276-L281 WeakPolarHBondContact O-CD1 3.33Å; N278-L281 HydrophobicContact CB-CD1 4Å; N278-L281 HydrophobicContact CB-CG 3.93Å; N278-L281 WeakPolarHBondContact O-CB 3.46Å; N278-L281 WeakPolarHBondContact O-CG 3.43Å; N278-L281 PolarHBondContact O-N 2.8Å; N278-L281 VanDerWaalsContact O-N 3.13Å; L281-E285 HydrophobicContact CB-CB 4.14Å; L281-E285 HydrophobicContact CD2-CB 4.36Å; L281-E285 WeakPolarHBondContact CD2-OE2 3.46Å; L281-R286 HydrophobicContact CB-CG 3.65Å; L281-R286 VanDerWaalsContact O-CZ 3.27Å; L281-R286 PolarHBondContact O-NE 3.37Å; L281-R286 PolarHBondContact O-NH2 3.46Å; L281-A289 HydrophobicContact CD1-CB 4.36Å
282	P	89.7	Confident	85.2	Confident	67 Å²	67	65 Å²	65	44%	0.435	35%	0.346	S	S	.	.			trans	-57.5	154.6	166.2	-23	33	0	0	0	112.2	Q284 E285 R286	P282-Q284 VanDerWaalsContact C-N 3.32Å; P282-Q284 PolarHBondContact O-N 3.36Å; P282-E285 HydrophobicContact CG-CG 4.43Å; P282-E285 PolarHBondContact O-N 2.8Å; P282-E285 VanDerWaalsContact O-N 3.1Å; P282-R286 PolarHBondContact O-N 3.39Å
283	P	88.6	Confident	85.8	Confident	104 Å²	104	63.2 Å²	63.2	68%	0.675	34%	0.339	S	S	*	.	H	α-helix	trans	-52.7	-44.2	-177.2	-28.7	35.4	0	0	0	114.3	E285 R286 I287	P283-E285 PolarHBondContact O-N 3.24Å; P283-R286 PolarHBondContact O-N 3Å; P283-I287 WeakPolarHBondContact O-CG1 3.23Å; P283-I287 PolarHBondContact O-N 2.73Å; P283-I287 VanDerWaalsContact O-N 3.15Å
284	Q	89.1	Confident	86.3	Confident	135 Å²	135	67.5 Å²	67.5	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-65.8	-38.4	-179.8	-169.7	63.3	17.6	0	0	112.8	P282 I287 T288	P282-Q284 VanDerWaalsContact C-N 3.32Å; P282-Q284 PolarHBondContact O-N 3.36Å; Q284-I287 PolarHBondContact O-N 3.03Å; Q284-T288 PolarHBondContact O-N 3.37Å; Q284-T288 VanDerWaalsContact O-N 3.1Å; Q284-T288 PolarHBondContact O-OG1 2.87Å
285	E	91.2	Very high	87	Confident	64 Å²	64	69.4 Å²	69.4	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-70.5	-33.3	177.4	-72.5	-172.3	-156	0	0	111.6	F226 Q230 L281 P282 P283 T288 A289	F226-E285 HydrophobicContact CD2-CG 4.27Å; F226-E285 HydrophobicContact CE2-CB 3.65Å; F226-E285 HydrophobicContact CE2-CG 3.69Å; F226-E285 HydrophobicContact CZ-CB 4.15Å; F226-E285 WeakPolarHBondContact CZ-O 3.3Å; Q230-E285 PolarHBondContact NE2-OE2 2.81Å; Q230-E285 VanDerWaalsContact NE2-OE2 3.15Å; L281-E285 HydrophobicContact CB-CB 4.14Å; L281-E285 HydrophobicContact CD2-CB 4.36Å; L281-E285 WeakPolarHBondContact CD2-OE2 3.46Å; P282-E285 HydrophobicContact CG-CG 4.43Å; P282-E285 PolarHBondContact O-N 2.8Å; P282-E285 VanDerWaalsContact O-N 3.1Å; P283-E285 PolarHBondContact O-N 3.24Å; E285-T288 PolarHBondContact O-N 3.27Å; E285-A289 WeakPolarHBondContact O-CB 3.24Å; E285-A289 PolarHBondContact O-N 3.3Å
286	R	90.4	Very high	87.5	Confident	103 Å²	103	65.8 Å²	65.8	39%	0.389	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-43.7	172.4	-68.6	-175.6	-161	-170.8	6.9	112.2	S279 L281 P282 P283 T288 A289 Q290	S279-R286 VanDerWaalsContact O-CZ 3.26Å; S279-R286 PolarHBondContact O-NH2 2.71Å; L281-R286 HydrophobicContact CB-CG 3.65Å; L281-R286 VanDerWaalsContact O-CZ 3.27Å; L281-R286 PolarHBondContact O-NE 3.37Å; L281-R286 PolarHBondContact O-NH2 3.46Å; P282-R286 PolarHBondContact O-N 3.39Å; P283-R286 PolarHBondContact O-N 3Å; R286-T288 VanDerWaalsContact C-N 3.32Å; R286-A289 PolarHBondContact O-N 3.39Å; R286-Q290 WeakPolarHBondContact O-CB 3.47Å; R286-Q290 VanDerWaalsContact O-CG 3.27Å; R286-Q290 WeakPolarHBondContact O-CG 3.35Å; R286-Q290 PolarHBondContact O-N 3.32Å
287	I	91.5	Very high	87.9	Confident	75 Å²	75	70.1 Å²	70.1	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-48.1	176.6	-66.1	166.5	0	0	0	109.3	P283 Q284 A289 Q290 E291	P283-I287 WeakPolarHBondContact O-CG1 3.23Å; P283-I287 PolarHBondContact O-N 2.73Å; P283-I287 VanDerWaalsContact O-N 3.15Å; Q284-I287 PolarHBondContact O-N 3.03Å; I287-A289 VanDerWaalsContact C-N 3.35Å; I287-A289 PolarHBondContact O-N 3.32Å; I287-Q290 PolarHBondContact O-N 3.33Å; I287-E291 HydrophobicContact CG2-CG 4.45Å; I287-E291 WeakPolarHBondContact O-CG 3.43Å; I287-E291 PolarHBondContact O-N 3.34Å
288	T	92.6	Very high	88.7	Confident	26 Å²	26	70.4 Å²	70.4	16%	0.16	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-43.9	178.1	-52.3	0	0	0	0	111.7	Q223 F226 Q284 E285 R286 Q290 E291 I292	Q223-T288 HydrophobicContact CG-CG2 4.26Å; F226-T288 HydrophobicContact CB-CG2 4.19Å; F226-T288 HydrophobicContact CD1-CG2 3.73Å; F226-T288 HydrophobicContact CE1-CG2 4.24Å; F226-T288 HydrophobicContact CG-CG2 3.88Å; Q284-T288 PolarHBondContact O-N 3.37Å; Q284-T288 VanDerWaalsContact O-N 3.1Å; Q284-T288 PolarHBondContact O-OG1 2.87Å; E285-T288 PolarHBondContact O-N 3.27Å; R286-T288 VanDerWaalsContact C-N 3.32Å; T288-Q290 PolarHBondContact O-N 2.93Å; T288-E291 PolarHBondContact O-N 3.34Å; T288-I292 HydrophobicContact CG2-CD1 4.14Å; T288-I292 WeakPolarHBondContact O-CG1 3.31Å; T288-I292 PolarHBondContact O-N 2.91Å; T288-I292 VanDerWaalsContact O-N 3.09Å
289	A	91.7	Very high	89.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-41.9	176.4	0	0	0	0	0	112.4	F226 F276 I277 L281 E285 R286 I287 I292 D293	F226-A289 HydrophobicContact CE1-CB 3.97Å; F226-A289 HydrophobicContact CZ-CB 4.11Å; F276-A289 HydrophobicContact CB-CB 3.88Å; I277-A289 HydrophobicContact CG1-CB 4.38Å; L281-A289 HydrophobicContact CD1-CB 4.36Å; E285-A289 WeakPolarHBondContact O-CB 3.24Å; E285-A289 PolarHBondContact O-N 3.3Å; R286-A289 PolarHBondContact O-N 3.39Å; I287-A289 VanDerWaalsContact C-N 3.35Å; I287-A289 PolarHBondContact O-N 3.32Å; A289-I292 PolarHBondContact O-N 3.21Å; A289-D293 WeakPolarHBondContact O-CB 3.11Å; A289-D293 PolarHBondContact O-N 3.27Å
290	Q	91.7	Very high	90.7	Very high	96 Å²	96	64.1 Å²	64.1	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-39.1	176.8	-74.4	172.5	-19.4	0	0	112.3	I277 R286 I287 T288 D293 N294	I277-Q290 HydrophobicContact CD1-CG 4.29Å; I277-Q290 HydrophobicContact CG1-CG 4.48Å; R286-Q290 WeakPolarHBondContact O-CB 3.47Å; R286-Q290 VanDerWaalsContact O-CG 3.27Å; R286-Q290 WeakPolarHBondContact O-CG 3.35Å; R286-Q290 PolarHBondContact O-N 3.32Å; I287-Q290 PolarHBondContact O-N 3.33Å; T288-Q290 PolarHBondContact O-N 2.93Å; Q290-D293 PolarHBondContact O-N 3.5Å; Q290-N294 VanDerWaalsContact O-CB 3.25Å; Q290-N294 WeakPolarHBondContact O-CB 3.24Å; Q290-N294 PolarHBondContact O-N 3.44Å; Q290-N294 PolarHBondContact O-ND2 3.32Å; Q290-N294 VanDerWaalsContact O-ND2 3.11Å
291	E	93.3	Very high	91.2	Very high	98 Å²	98	59.2 Å²	59.2	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-44.2	175.1	-74	174.8	177.9	0	0	111.7	I287 T288 Y295	I287-E291 HydrophobicContact CG2-CG 4.45Å; I287-E291 WeakPolarHBondContact O-CG 3.43Å; I287-E291 PolarHBondContact O-N 3.34Å; T288-E291 PolarHBondContact O-N 3.34Å; E291-Y295 VanDerWaalsContact O-CB 3.24Å; E291-Y295 WeakPolarHBondContact O-CB 3.27Å; E291-Y295 PolarHBondContact O-N 2.98Å
292	I	92.6	Very high	91.6	Very high	1 Å²	1	61 Å²	61	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-46.8	177.4	-67.3	167.5	0	0	0	110.8	L219 Q223 F226 A227 F276 T288 A289 Y295 F296	L219-I292 HydrophobicContact CD1-CG2 4.41Å; L219-I292 HydrophobicContact CD2-CG1 4.37Å; Q223-I292 HydrophobicContact CB-CD1 3.82Å; Q223-I292 HydrophobicContact CB-CG1 3.9Å; Q223-I292 HydrophobicContact CG-CD1 4.09Å; Q223-I292 HydrophobicContact CG-CG1 3.85Å; F226-I292 HydrophobicContact CD1-CD1 3.74Å; F226-I292 HydrophobicContact CE1-CD1 4.29Å; A227-I292 HydrophobicContact CB-CD1 4.33Å; F276-I292 HydrophobicContact CD2-CG2 4Å; F276-I292 HydrophobicContact CE2-CG2 4.03Å; T288-I292 HydrophobicContact CG2-CD1 4.14Å; T288-I292 WeakPolarHBondContact O-CG1 3.31Å; T288-I292 PolarHBondContact O-N 2.91Å; T288-I292 VanDerWaalsContact O-N 3.09Å; A289-I292 PolarHBondContact O-N 3.21Å; I292-Y295 PolarHBondContact O-N 3.34Å; I292-F296 HydrophobicContact CG2-CD2 3.65Å; I292-F296 HydrophobicContact CG2-CE2 3.54Å; I292-F296 WeakPolarHBondContact O-CD2 3.36Å; I292-F296 PolarHBondContact O-N 2.96Å
293	D	90.3	Very high	91.9	Very high	56 Å²	56	62.1 Å²	62.1	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-48.7	178.3	-177	72.9	0	0	0	111.4	I277 A289 Q290 Y295 F296 R297	I277-D293 HydrophobicContact CD1-CB 4.07Å; A289-D293 WeakPolarHBondContact O-CB 3.11Å; A289-D293 PolarHBondContact O-N 3.27Å; Q290-D293 PolarHBondContact O-N 3.5Å; D293-Y295 VanDerWaalsContact C-N 3.32Å; D293-Y295 PolarHBondContact O-N 3.24Å; D293-F296 PolarHBondContact O-N 3.13Å; D293-R297 VanDerWaalsContact O-CB 3.25Å; D293-R297 WeakPolarHBondContact O-CB 3.32Å; D293-R297 PolarHBondContact O-N 2.82Å
294	N	91.8	Very high	92.3	Very high	101 Å²	101	57.5 Å²	57.5	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-41.5	177.1	-75.7	-32.4	0	0	0	112.1	Q290 Q298	Q290-N294 VanDerWaalsContact O-CB 3.25Å; Q290-N294 WeakPolarHBondContact O-CB 3.24Å; Q290-N294 PolarHBondContact O-N 3.44Å; Q290-N294 PolarHBondContact O-ND2 3.32Å; Q290-N294 VanDerWaalsContact O-ND2 3.11Å; N294-Q298 VanDerWaalsContact O-CB 3.31Å; N294-Q298 WeakPolarHBondContact O-CB 3.48Å; N294-Q298 PolarHBondContact O-N 2.61Å
295	Y	93.9	Very high	92.7	Very high	60 Å²	60	51.1 Å²	51.1	24%	0.235	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-52.3	176.9	171.4	-99	0	0	0	111.5	P215 G218 L219 E291 I292 D293 R297 Q298 E299	P215-Y295 WeakPolarHBondContact O-CE1 3.47Å; P215-Y295 PolarHBondContact O-OH 3.16Å; G218-Y295 WeakPolarHBondContact CA-OH 3.32Å; L219-Y295 HydrophobicContact CD2-CD1 3.42Å; L219-Y295 VanDerWaalsContact CD2-CD1 3.42Å; L219-Y295 HydrophobicContact CD2-CE1 3.72Å; L219-Y295 HydrophobicContact CD2-CG 4.14Å; L219-Y295 HydrophobicContact CG-CD1 4.22Å; L219-Y295 HydrophobicContact CG-CE1 4.08Å; E291-Y295 VanDerWaalsContact O-CB 3.24Å; E291-Y295 WeakPolarHBondContact O-CB 3.27Å; E291-Y295 PolarHBondContact O-N 2.98Å; I292-Y295 PolarHBondContact O-N 3.34Å; D293-Y295 VanDerWaalsContact C-N 3.32Å; D293-Y295 PolarHBondContact O-N 3.24Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.39Å; Y295-Q298 PolarHBondContact O-N 3.44Å; Y295-E299 HydrophobicContact CD2-CG 4.08Å; Y295-E299 HydrophobicContact CE1-CG 4.27Å; Y295-E299 HydrophobicContact CE2-CG 3.6Å; Y295-E299 PolarHBondContact O-N 3.26Å
296	F	91.9	Very high	93	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-39.6	179.3	-76.6	-44.4	0	0	0	112.1	L216 L219 V273 I292 D293 Q298 E299 L300	L216-F296 HydrophobicContact CD2-CE1 3.83Å; L216-F296 HydrophobicContact CD2-CZ 4.21Å; L219-F296 HydrophobicContact CD1-CE1 4.25Å; L219-F296 HydrophobicContact CD1-CE2 3.86Å; L219-F296 HydrophobicContact CD1-CZ 3.41Å; L219-F296 VanDerWaalsContact CD1-CZ 3.41Å; L219-F296 HydrophobicContact CD2-CZ 4.46Å; L219-F296 HydrophobicContact CG-CE1 4.34Å; L219-F296 HydrophobicContact CG-CZ 3.97Å; V273-F296 HydrophobicContact CB-CD2 4.03Å; V273-F296 HydrophobicContact CB-CE2 4.18Å; V273-F296 HydrophobicContact CB-CG 4.48Å; V273-F296 HydrophobicContact CG1-CD1 4.22Å; V273-F296 HydrophobicContact CG1-CD2 3.96Å; V273-F296 HydrophobicContact CG1-CE1 4.2Å; V273-F296 HydrophobicContact CG1-CE2 3.89Å; V273-F296 HydrophobicContact CG1-CG 4.11Å; V273-F296 HydrophobicContact CG1-CZ 4.01Å; V273-F296 HydrophobicContact CG2-CB 4.02Å; V273-F296 HydrophobicContact CG2-CD2 3.8Å; V273-F296 HydrophobicContact CG2-CE2 4.45Å; V273-F296 HydrophobicContact CG2-CG 4.01Å; I292-F296 HydrophobicContact CG2-CD2 3.65Å; I292-F296 HydrophobicContact CG2-CE2 3.54Å; I292-F296 WeakPolarHBondContact O-CD2 3.36Å; I292-F296 PolarHBondContact O-N 2.96Å; D293-F296 PolarHBondContact O-N 3.13Å; F296-Q298 VanDerWaalsContact C-N 3.29Å; F296-Q298 PolarHBondContact O-N 3.23Å; F296-E299 PolarHBondContact O-N 2.85Å; F296-L300 HydrophobicContact CB-CD1 4.15Å; F296-L300 HydrophobicContact CD1-CD1 3.73Å; F296-L300 HydrophobicContact CD1-CG 4.36Å; F296-L300 HydrophobicContact CE1-CD1 4.49Å; F296-L300 HydrophobicContact CG-CD1 4.19Å; F296-L300 WeakPolarHBondContact O-CA 3.2Å; F296-L300 VanDerWaalsContact O-CB 3.22Å; F296-L300 WeakPolarHBondContact O-CB 3.4Å; F296-L300 PolarHBondContact O-N 3.27Å
297	R	90.2	Very high	93.3	Very high	105 Å²	105	49.8 Å²	49.8	40%	0.396	23%	0.228	S	C	.	.	I	π-helix	trans	-60.7	-40.8	174.8	-170.2	166.3	-167.6	-109.7	-9.9	112	D293 Y295 I301 Y302	D293-R297 VanDerWaalsContact O-CB 3.25Å; D293-R297 WeakPolarHBondContact O-CB 3.32Å; D293-R297 PolarHBondContact O-N 2.82Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.39Å; R297-I301 WeakPolarHBondContact O-CB 3.35Å; R297-I301 PolarHBondContact O-N 3.27Å; R297-Y302 HydrophobicContact CG-CD2 4.49Å; R297-Y302 HydrophobicContact CG-CE2 4.13Å; R297-Y302 PolarHBondContact NH1-OH 2.93Å; R297-Y302 PolarHBondContact NH2-OH 3.07Å; R297-Y302 PolarHBondContact O-N 3.34Å; R297-Y302 VanDerWaalsContact O-N 3.14Å
298	Q	93.3	Very high	93.7	Very high	89 Å²	89	46.2 Å²	46.2	42%	0.416	21%	0.21	S	C	.	.	I	π-helix	trans	-67.1	-46.8	177.1	-174.5	63.6	26.2	0	0	112.3	N294 Y295 F296 K303	N294-Q298 VanDerWaalsContact O-CB 3.31Å; N294-Q298 WeakPolarHBondContact O-CB 3.48Å; N294-Q298 PolarHBondContact O-N 2.61Å; Y295-Q298 PolarHBondContact O-N 3.44Å; F296-Q298 VanDerWaalsContact C-N 3.29Å; F296-Q298 PolarHBondContact O-N 3.23Å; Q298-K303 HydrophobicContact CG-CD 4.48Å; Q298-K303 WeakPolarHBondContact O-CB 3.37Å; Q298-K303 WeakPolarHBondContact O-CG 3.04Å; Q298-K303 PolarHBondContact O-N 3.48Å
299	E	94.1	Very high	93.9	Very high	34 Å²	34	45 Å²	45	16%	0.159	20%	0.202	C	C	.	.	I	π-helix	trans	-78.9	-45.8	-174.6	-66.5	-57.4	139.8	0	0	113.3	P215 Y295 F296 K303	P215-E299 HydrophobicContact CB-CB 3.79Å; P215-E299 HydrophobicContact CB-CG 4.48Å; P215-E299 HydrophobicContact CG-CB 4.11Å; Y295-E299 HydrophobicContact CD2-CG 4.08Å; Y295-E299 HydrophobicContact CE1-CG 4.27Å; Y295-E299 HydrophobicContact CE2-CG 3.6Å; Y295-E299 PolarHBondContact O-N 3.26Å; F296-E299 PolarHBondContact O-N 2.85Å; E299-K303 WeakPolarHBondContact OE1-CD 3.41Å; E299-K303 WeakPolarHBondContact OE1-CE 3.32Å; E299-K303 IonicContact OE1-NZ 2.89Å; E299-K303 PolarHBondContact OE1-NZ 3.29Å; E299-K303 WeakPolarHBondContact OE2-CD 3.29Å; E299-K303 IonicContact OE2-NZ 3.02Å
300	L	91.8	Very high	94.2	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	22%	0.223	C	C	.	.	I	π-helix	trans	-90.6	-18.1	-171.4	-61.4	175.3	0	0	0	113.8	P215 S271 V273 F296 R304	P215-L300 HydrophobicContact CB-CD2 3.56Å; P215-L300 HydrophobicContact CB-CG 4.13Å; P215-L300 HydrophobicContact CG-CD2 3.92Å; S271-L300 WeakPolarHBondContact O-CD1 3.4Å; V273-L300 HydrophobicContact CG1-CD1 4.02Å; F296-L300 HydrophobicContact CB-CD1 4.15Å; F296-L300 HydrophobicContact CD1-CD1 3.73Å; F296-L300 HydrophobicContact CD1-CG 4.36Å; F296-L300 HydrophobicContact CE1-CD1 4.49Å; F296-L300 HydrophobicContact CG-CD1 4.19Å; F296-L300 WeakPolarHBondContact O-CA 3.2Å; F296-L300 VanDerWaalsContact O-CB 3.22Å; F296-L300 WeakPolarHBondContact O-CB 3.4Å; F296-L300 PolarHBondContact O-N 3.27Å; L300-R304 WeakPolarHBondContact O-CB 3.36Å; L300-R304 WeakPolarHBondContact O-CD 3.22Å
301	I	90.6	Very high	94.6	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.036	22%	0.215	C	C	.	.	I	π-helix	trans	-113.4	-64.7	176.1	-54.8	-63.6	0	0	0	110.3	R297 N305	R297-I301 WeakPolarHBondContact O-CB 3.35Å; R297-I301 PolarHBondContact O-N 3.27Å; I301-N305 VanDerWaalsContact O-CB 3.23Å; I301-N305 WeakPolarHBondContact O-CB 3.2Å; I301-N305 PolarHBondContact O-N 3.37Å; I301-N305 PolarHBondContact O-ND2 3.42Å; I301-N305 PolarHBondContact O-OD1 3.13Å
302	Y	93.6	Very high	94.8	Very high	49 Å²	49	43.9 Å²	43.9	19%	0.192	19%	0.193	C	C	.	.	I	π-helix	trans	-71.4	-54.7	-168	-63.5	-37.1	0	0	0	114.4	R297 R304 N305 E306 N337	R297-Y302 HydrophobicContact CG-CD2 4.49Å; R297-Y302 HydrophobicContact CG-CE2 4.13Å; R297-Y302 PolarHBondContact NH1-OH 2.93Å; R297-Y302 PolarHBondContact NH2-OH 3.07Å; R297-Y302 PolarHBondContact O-N 3.34Å; R297-Y302 VanDerWaalsContact O-N 3.14Å; Y302-R304 PolarHBondContact O-N 3.07Å; Y302-N305 PolarHBondContact O-N 3.1Å; Y302-E306 WeakPolarHBondContact O-CG 3.42Å; Y302-E306 PolarHBondContact O-N 3.19Å; Y302-E306 VanDerWaalsContact O-N 3.14Å; Y302-N337 HydrophobicContact CD1-CB 3.79Å; Y302-N337 HydrophobicContact CE1-CB 3.87Å
303	K	96	Very high	95.1	Very high	90 Å²	90	45.5 Å²	45.5	39%	0.391	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-35	176.8	-73.9	179.7	174.1	178.6	0	111.4	Q298 E299 R307	Q298-K303 HydrophobicContact CG-CD 4.48Å; Q298-K303 WeakPolarHBondContact O-CB 3.37Å; Q298-K303 WeakPolarHBondContact O-CG 3.04Å; Q298-K303 PolarHBondContact O-N 3.48Å; E299-K303 WeakPolarHBondContact OE1-CD 3.41Å; E299-K303 WeakPolarHBondContact OE1-CE 3.32Å; E299-K303 IonicContact OE1-NZ 2.89Å; E299-K303 PolarHBondContact OE1-NZ 3.29Å; E299-K303 WeakPolarHBondContact OE2-CD 3.29Å; E299-K303 IonicContact OE2-NZ 3.02Å; K303-R307 WeakPolarHBondContact O-CG 3.37Å; K303-R307 PolarHBondContact O-N 2.94Å; K303-R307 PolarHBondContact O-NH1 2.85Å
304	R	96.1	Very high	95.5	Very high	8 Å²	8	45.5 Å²	45.5	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-50	176.3	-162.4	173.7	173.8	-152.8	-6.9	111.4	E87 E207 S270 L300 Y302 E306 R307 M308 H332	E87-R304 IonicContact OE1-NH2 3.73Å; E87-R304 IonicContact OE2-CZ 2.73Å; E87-R304 IonicContact OE2-NH1 3.49Å; E87-R304 IonicContact OE2-NH2 3.67Å; E87-R304 PolarHBondContact OE2-NH2 2.93Å; E207-R304 WeakPolarHBondContact OE1-CD 3.27Å; E207-R304 WeakPolarHBondContact OE1-CG 3.49Å; E207-R304 IonicContact OE1-CZ 3.46Å; E207-R304 IonicContact OE1-NE 3.55Å; E207-R304 PolarHBondContact OE1-NE 3.19Å; E207-R304 IonicContact OE1-NH2 2.73Å; E207-R304 IonicContact OE2-CZ 3.13Å; E207-R304 IonicContact OE2-NE 3.13Å; E207-R304 PolarHBondContact OE2-NE 3.31Å; E207-R304 IonicContact OE2-NH2 2.82Å; E207-R304 PolarHBondContact OE2-NH2 2.98Å; S270-R304 PolarHBondContact O-NH1 2.83Å; L300-R304 WeakPolarHBondContact O-CB 3.36Å; L300-R304 WeakPolarHBondContact O-CD 3.22Å; Y302-R304 PolarHBondContact O-N 3.07Å; R304-E306 VanDerWaalsContact C-N 3.34Å; R304-E306 PolarHBondContact O-N 3.1Å; R304-R307 PolarHBondContact O-N 2.98Å; R304-R307 VanDerWaalsContact O-N 3.16Å; R304-M308 HydrophobicContact CG-CG 4.38Å; R304-M308 HydrophobicContact CG-SD 3.9Å; R304-M308 WeakPolarHBondContact O-CB 3.36Å; R304-M308 VanDerWaalsContact O-CG 3.27Å; R304-M308 WeakPolarHBondContact O-CG 3.1Å; R304-M308 PolarHBondContact O-N 3.34Å; R304-H332 PolarHBondContact NH1-NE2 3.38Å
305	N	97.6	Very high	95.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-43.5	176.4	-75	-11	0	0	0	112.9	I301 Y302 M308 G309 H332 N337 V339	I301-N305 VanDerWaalsContact O-CB 3.23Å; I301-N305 WeakPolarHBondContact O-CB 3.2Å; I301-N305 PolarHBondContact O-N 3.37Å; I301-N305 PolarHBondContact O-ND2 3.42Å; I301-N305 PolarHBondContact O-OD1 3.13Å; Y302-N305 PolarHBondContact O-N 3.1Å; N305-M308 PolarHBondContact O-N 3.18Å; N305-G309 PolarHBondContact O-N 3.37Å; N305-H332 PolarHBondContact OD1-ND1 2.76Å; N305-N337 WeakPolarHBondContact CB-O 3.14Å; N305-N337 PolarHBondContact ND2-O 3.31Å; N305-V339 HydrophobicContact CB-CG2 4.18Å
306	E	97.9	Very high	95.9	Very high	69 Å²	69	38.9 Å²	38.9	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-60.3	-47.2	176.8	-70.8	-67.8	162.6	0	0	111.6	Y302 R304 K310 R345	Y302-E306 WeakPolarHBondContact O-CG 3.42Å; Y302-E306 PolarHBondContact O-N 3.19Å; Y302-E306 VanDerWaalsContact O-N 3.14Å; R304-E306 VanDerWaalsContact C-N 3.34Å; R304-E306 PolarHBondContact O-N 3.1Å; E306-K310 WeakPolarHBondContact O-CB 3.49Å; E306-K310 PolarHBondContact O-N 3.49Å; E306-R345 IonicContact OE1-CZ 3.5Å; E306-R345 IonicContact OE1-NH1 3.44Å; E306-R345 PolarHBondContact OE1-NH1 3.21Å; E306-R345 IonicContact OE1-NH2 3.68Å; E306-R345 PolarHBondContact OE1-NH2 3.42Å; E306-R345 IonicContact OE2-NH2 3.85Å; E306-R345 PolarHBondContact OE2-NH2 3.14Å
307	R	97.9	Very high	96.2	Very high	69 Å²	69	43.7 Å²	43.7	26%	0.26	19%	0.191	S	C	.	.	H	α-helix	trans	-64.6	-47.6	177.8	-69.6	-167.2	-56	-87.4	1.1	111.8	E211 K303 R304 K310 R311	E211-R307 WeakPolarHBondContact OE1-CD 3.41Å; E211-R307 IonicContact OE1-NE 2.67Å; E211-R307 PolarHBondContact OE1-NE 3.19Å; K303-R307 WeakPolarHBondContact O-CG 3.37Å; K303-R307 PolarHBondContact O-N 2.94Å; K303-R307 PolarHBondContact O-NH1 2.85Å; R304-R307 PolarHBondContact O-N 2.98Å; R304-R307 VanDerWaalsContact O-N 3.16Å; R307-K310 PolarHBondContact O-N 3.48Å; R307-R311 WeakPolarHBondContact O-CG 3.35Å; R307-R311 PolarHBondContact O-N 2.91Å
308	M	98.1	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-49.8	178.8	-68.7	174.8	84.5	0	0	111	E87 V206 E207 R304 N305 K310 R311 V312 F328 V339	E87-M308 HydrophobicContact CG-CE 3.93Å; V206-M308 HydrophobicContact CG2-CE 3.92Å; V206-M308 HydrophobicContact CG2-CG 4.16Å; E207-M308 HydrophobicContact CG-CG 4.24Å; R304-M308 HydrophobicContact CG-CG 4.38Å; R304-M308 HydrophobicContact CG-SD 3.9Å; R304-M308 WeakPolarHBondContact O-CB 3.36Å; R304-M308 VanDerWaalsContact O-CG 3.27Å; R304-M308 WeakPolarHBondContact O-CG 3.1Å; R304-M308 PolarHBondContact O-N 3.34Å; N305-M308 PolarHBondContact O-N 3.18Å; M308-K310 VanDerWaalsContact C-N 3.34Å; M308-K310 PolarHBondContact O-N 2.86Å; M308-R311 PolarHBondContact O-N 2.85Å; M308-V312 VanDerWaalsContact O-CG2 3.28Å; M308-V312 WeakPolarHBondContact O-CG2 3.49Å; M308-V312 PolarHBondContact O-N 2.86Å; M308-F328 HydrophobicContact CE-CB 3.84Å; M308-F328 HydrophobicContact CE-CD1 3.62Å; M308-F328 HydrophobicContact CE-CD2 3.35Å; M308-F328 HydrophobicContact CE-CE1 3.99Å; M308-F328 HydrophobicContact CE-CE2 3.71Å; M308-F328 HydrophobicContact CE-CG 3.33Å; M308-F328 HydrophobicContact CE-CZ 4.03Å; M308-V339 HydrophobicContact CB-CG2 3.99Å; M308-V339 HydrophobicContact SD-CG2 4.45Å
309	G	98.3	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-40.2	179.4	0	0	0	0	0	112.9	N305 V312 K313 L343	N305-G309 PolarHBondContact O-N 3.37Å; G309-V312 PolarHBondContact O-N 3.17Å; G309-K313 WeakPolarHBondContact O-CB 3.47Å; G309-K313 PolarHBondContact O-N 2.94Å; G309-L343 WeakPolarHBondContact O-CD2 3.42Å
310	K	98.4	Very high	96.8	Very high	102 Å²	102	46.3 Å²	46.3	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-46.3	173.2	179.9	173.9	179.9	-58.4	0	112	E306 R307 M308 K313 D314	E306-K310 WeakPolarHBondContact O-CB 3.49Å; E306-K310 PolarHBondContact O-N 3.49Å; R307-K310 PolarHBondContact O-N 3.48Å; M308-K310 VanDerWaalsContact C-N 3.34Å; M308-K310 PolarHBondContact O-N 2.86Å; K310-K313 WeakPolarHBondContact O-CB 3.45Å; K310-K313 PolarHBondContact O-N 2.93Å; K310-D314 IonicContact NZ-OD2 2.72Å; K310-D314 PolarHBondContact NZ-OD2 3.09Å; K310-D314 VanDerWaalsContact O-CG 3.25Å; K310-D314 PolarHBondContact O-N 3.38Å
311	R	98.5	Very high	96.9	Very high	69 Å²	69	51 Å²	51	26%	0.26	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-37.6	179.3	-73.5	176.5	179	150.1	2.4	112.5	V206 E211 R307 M308 D314 L315	V206-R311 WeakPolarHBondContact O-CD 3.37Å; V206-R311 PolarHBondContact O-NH1 2.97Å; E211-R311 VanDerWaalsContact CD-NH1 3.33Å; E211-R311 IonicContact OE1-CZ 2.66Å; E211-R311 IonicContact OE1-NH1 3.47Å; E211-R311 PolarHBondContact OE1-NH1 2.9Å; E211-R311 VanDerWaalsContact OE1-NH1 3.13Å; E211-R311 IonicContact OE1-NH2 3.54Å; E211-R311 PolarHBondContact OE1-NH2 2.94Å; E211-R311 IonicContact OE2-CZ 3.71Å; E211-R311 IonicContact OE2-NH1 3.34Å; E211-R311 PolarHBondContact OE2-NH1 3.13Å; E211-R311 IonicContact OE2-NH2 3.34Å; E211-R311 PolarHBondContact OE2-NH2 3.34Å; R307-R311 WeakPolarHBondContact O-CG 3.35Å; R307-R311 PolarHBondContact O-N 2.91Å; M308-R311 PolarHBondContact O-N 2.85Å; R311-D314 PolarHBondContact O-N 3.15Å; R311-L315 WeakPolarHBondContact O-CG 3.47Å; R311-L315 PolarHBondContact O-N 2.68Å
312	V	98.6	Very high	97.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-47.6	172.6	172.9	0	0	0	0	110	F55 V206 M308 G309 D314 L315 L316 F326 F328 L343	F55-V312 HydrophobicContact CE1-CG1 3.96Å; F55-V312 HydrophobicContact CE1-CG2 4.03Å; F55-V312 HydrophobicContact CZ-CB 4.47Å; F55-V312 HydrophobicContact CZ-CG1 3.73Å; F55-V312 HydrophobicContact CZ-CG2 4.42Å; V206-V312 HydrophobicContact CG1-CG2 4.46Å; M308-V312 VanDerWaalsContact O-CG2 3.28Å; M308-V312 WeakPolarHBondContact O-CG2 3.49Å; M308-V312 PolarHBondContact O-N 2.86Å; G309-V312 PolarHBondContact O-N 3.17Å; V312-D314 VanDerWaalsContact C-N 3.33Å; V312-D314 PolarHBondContact O-N 2.76Å; V312-L315 PolarHBondContact O-N 2.75Å; V312-L316 HydrophobicContact CG1-CD1 3.75Å; V312-L316 HydrophobicContact CG1-CG 4.11Å; V312-L316 WeakPolarHBondContact O-CB 3.36Å; V312-L316 WeakPolarHBondContact O-CG 3.05Å; V312-L316 PolarHBondContact O-N 3.25Å; V312-F326 HydrophobicContact CB-CZ 4.44Å; V312-F326 HydrophobicContact CG1-CD2 4.21Å; V312-F326 HydrophobicContact CG1-CE1 4.23Å; V312-F326 HydrophobicContact CG1-CE2 3.72Å; V312-F326 HydrophobicContact CG1-CZ 3.74Å; V312-F326 HydrophobicContact CG2-CD1 3.99Å; V312-F326 HydrophobicContact CG2-CE1 3.94Å; V312-F326 HydrophobicContact CG2-CG 4.41Å; V312-F326 HydrophobicContact CG2-CZ 4.3Å; V312-F328 HydrophobicContact CG2-CE2 3.93Å; V312-F328 HydrophobicContact CG2-CZ 3.98Å; V312-L343 HydrophobicContact CG1-CD1 3.95Å; V312-L343 HydrophobicContact CG1-CD2 4.33Å
313	K	98.1	Very high	97.2	Very high	35 Å²	35	53 Å²	53	15%	0.152	25%	0.247	C	C	.	.	H	α-helix	trans	-54.8	-49.6	174	172	-78.3	-157	-168.1	0	111	G309 K310 L315 L316 E317 L343 Y346 Y348	G309-K313 WeakPolarHBondContact O-CB 3.47Å; G309-K313 PolarHBondContact O-N 2.94Å; K310-K313 WeakPolarHBondContact O-CB 3.45Å; K310-K313 PolarHBondContact O-N 2.93Å; K313-L315 VanDerWaalsContact C-N 3.34Å; K313-L315 PolarHBondContact O-N 3.41Å; K313-L316 WeakPolarHBondContact O-CB 3.32Å; K313-L316 PolarHBondContact O-N 2.9Å; K313-L316 VanDerWaalsContact O-N 3.16Å; K313-E317 HydrophobicContact CD-CG 4.36Å; K313-E317 WeakPolarHBondContact CE-OE1 3.47Å; K313-E317 WeakPolarHBondContact CE-OE2 3.31Å; K313-E317 VanDerWaalsContact NZ-CD 3.26Å; K313-E317 IonicContact NZ-OE1 3.25Å; K313-E317 PolarHBondContact NZ-OE1 3.16Å; K313-E317 IonicContact NZ-OE2 2.67Å; K313-E317 PolarHBondContact NZ-OE2 3.35Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 2.94Å; K313-L343 HydrophobicContact CB-CD2 3.73Å; K313-Y346 HydrophobicContact CB-CD2 4.13Å; K313-Y346 HydrophobicContact CG-CD1 4.44Å; K313-Y346 HydrophobicContact CG-CD2 4.04Å; K313-Y346 HydrophobicContact CG-CG 3.99Å; K313-Y348 HydrophobicContact CB-CE2 4.39Å; K313-Y348 HydrophobicContact CG-CE2 3.99Å
314	D	98.4	Very high	97.3	Very high	56 Å²	56	48.8 Å²	48.8	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-40.4	-178.2	-66.8	-23.5	0	0	0	111.3	K310 R311 V312 E317 Q318	K310-D314 IonicContact NZ-OD2 2.72Å; K310-D314 PolarHBondContact NZ-OD2 3.09Å; K310-D314 VanDerWaalsContact O-CG 3.25Å; K310-D314 PolarHBondContact O-N 3.38Å; R311-D314 PolarHBondContact O-N 3.15Å; V312-D314 VanDerWaalsContact C-N 3.33Å; V312-D314 PolarHBondContact O-N 2.76Å; D314-E317 PolarHBondContact O-N 3.12Å; D314-Q318 VanDerWaalsContact O-CB 3.25Å; D314-Q318 WeakPolarHBondContact O-CB 3.48Å; D314-Q318 PolarHBondContact O-N 3.46Å
315	L	98.1	Very high	97.4	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-43.2	173.4	-74.1	168.2	0	0	0	112.7	Y85 V206 R311 V312 K313 E317 Q318 F319 F326	Y85-L315 HydrophobicContact CD1-CD1 3.76Å; Y85-L315 HydrophobicContact CE1-CD1 3.55Å; Y85-L315 HydrophobicContact CE1-CD2 4.08Å; Y85-L315 HydrophobicContact CE1-CG 4.49Å; Y85-L315 HydrophobicContact CE2-CD1 4.35Å; Y85-L315 HydrophobicContact CE2-CD2 4.46Å; Y85-L315 HydrophobicContact CG-CD1 4.25Å; Y85-L315 WeakPolarHBondContact OH-CD2 3.39Å; V206-L315 HydrophobicContact CG1-CD1 4.22Å; R311-L315 WeakPolarHBondContact O-CG 3.47Å; R311-L315 PolarHBondContact O-N 2.68Å; V312-L315 PolarHBondContact O-N 2.75Å; K313-L315 VanDerWaalsContact C-N 3.34Å; K313-L315 PolarHBondContact O-N 3.41Å; L315-E317 VanDerWaalsContact C-N 3.33Å; L315-E317 PolarHBondContact O-N 3.29Å; L315-Q318 PolarHBondContact O-N 3.03Å; L315-F319 HydrophobicContact CD2-CE2 4.49Å; L315-F319 PolarHBondContact O-N 3.05Å; L315-F326 HydrophobicContact CD1-CE1 3.9Å; L315-F326 HydrophobicContact CD1-CZ 4.41Å
316	L	97.4	Very high	97.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-37.5	-179.5	-74.6	177.3	0	0	0	111.8	I47 R49 V312 K313 F324 F326 L343 Y348	I47-L316 HydrophobicContact CD1-CD1 3.95Å; I47-L316 HydrophobicContact CG2-CD1 4.22Å; R49-L316 VanDerWaalsContact NH1-CA 3.27Å; R49-L316 PolarHBondContact NH1-O 3.16Å; R49-L316 PolarHBondContact NH2-O 3.48Å; V312-L316 HydrophobicContact CG1-CD1 3.75Å; V312-L316 HydrophobicContact CG1-CG 4.11Å; V312-L316 WeakPolarHBondContact O-CB 3.36Å; V312-L316 WeakPolarHBondContact O-CG 3.05Å; V312-L316 PolarHBondContact O-N 3.25Å; K313-L316 WeakPolarHBondContact O-CB 3.32Å; K313-L316 PolarHBondContact O-N 2.9Å; K313-L316 VanDerWaalsContact O-N 3.16Å; L316-F324 HydrophobicContact CD2-CD2 3.94Å; L316-F326 HydrophobicContact CD2-CE2 4.19Å; L316-F326 HydrophobicContact CD2-CZ 4.49Å; L316-L343 HydrophobicContact CD1-CD1 4Å; L316-Y348 HydrophobicContact CB-CE1 4.3Å; L316-Y348 HydrophobicContact CD1-CD1 4.33Å; L316-Y348 HydrophobicContact CD1-CE1 4Å
317	E	97.1	Very high	97.5	Very high	105 Å²	105	45.2 Å²	45.2	49%	0.491	21%	0.213	S	C	.	.	H	α-helix	trans	-76.6	-38.9	176.5	-71.5	-178.9	173.6	0	0	113	K313 D314 L315 F319 Y348	K313-E317 HydrophobicContact CD-CG 4.36Å; K313-E317 WeakPolarHBondContact CE-OE1 3.47Å; K313-E317 WeakPolarHBondContact CE-OE2 3.31Å; K313-E317 VanDerWaalsContact NZ-CD 3.26Å; K313-E317 IonicContact NZ-OE1 3.25Å; K313-E317 PolarHBondContact NZ-OE1 3.16Å; K313-E317 IonicContact NZ-OE2 2.67Å; K313-E317 PolarHBondContact NZ-OE2 3.35Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 2.94Å; D314-E317 PolarHBondContact O-N 3.12Å; L315-E317 VanDerWaalsContact C-N 3.33Å; L315-E317 PolarHBondContact O-N 3.29Å; E317-F319 PolarHBondContact O-N 3.04Å; E317-Y348 WeakPolarHBondContact CG-OH 3.18Å
318	Q	97.5	Very high	97.5	Very high	134 Å²	134	42 Å²	42	63%	0.626	20%	0.2	S	C	*	.	H	α-helix	trans	-65.8	-30.4	179.9	-173.5	173.7	38.9	0	0	112.3	D314 L315	D314-Q318 VanDerWaalsContact O-CB 3.25Å; D314-Q318 WeakPolarHBondContact O-CB 3.48Å; D314-Q318 PolarHBondContact O-N 3.46Å; L315-Q318 PolarHBondContact O-N 3.03Å
319	F	96.6	Very high	97.3	Very high	72 Å²	72	42.2 Å²	42.2	32%	0.316	20%	0.203	S	C	.	.			trans	-129	70.7	-176.7	-57.5	-70.1	0	0	0	111.2	R49 L315 E317 E321 K322 F324	R49-F319 PolarHBondContact NH2-O 3.3Å; L315-F319 HydrophobicContact CD2-CE2 4.49Å; L315-F319 PolarHBondContact O-N 3.05Å; E317-F319 PolarHBondContact O-N 3.04Å; F319-E321 VanDerWaalsContact C-N 3.26Å; F319-E321 PolarHBondContact O-N 3.08Å; F319-K322 HydrophobicContact CB-CB 4.01Å; F319-K322 HydrophobicContact CB-CG 3.78Å; F319-K322 PolarHBondContact O-N 3.43Å; F319-F324 HydrophobicContact CB-CE2 4.01Å; F319-F324 HydrophobicContact CB-CZ 3.74Å; F319-F324 AromaticContact CD2-CZ 3.94Å; F319-F324 HydrophobicContact CD2-CZ 3.94Å; F319-F324 HydrophobicContact CG-CZ 4.19Å
320	P	95.6	Very high	97.2	Very high	77 Å²	77	42.2 Å²	42.2	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.7	-175.5	25.4	-34	0	0	0	113.1	R49 K322	R49-P320 PolarHBondContact NH2-O 3.06Å; P320-K322 VanDerWaalsContact C-N 3.33Å; P320-K322 PolarHBondContact O-N 3.38Å
321	E	95.2	Very high	96.9	Very high	106 Å²	106	37.4 Å²	37.4	50%	0.495	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	4.4	-177.3	80.5	-62.5	161.3	0	0	114.1	F319	F319-E321 VanDerWaalsContact C-N 3.26Å; F319-E321 PolarHBondContact O-N 3.08Å
322	K	94.9	Very high	96.8	Very high	77 Å²	77	34.1 Å²	34.1	34%	0.335	17%	0.17	S	C	.	.			trans	-106.9	148.7	-179.1	-57.4	-55.8	-175.7	-144.9	0	112.3	R49 I83 F319 P320 F324	R49-K322 PolarHBondContact NH2-O 3.28Å; I83-K322 HydrophobicContact CD1-CB 3.89Å; I83-K322 HydrophobicContact CD1-CD 4.23Å; I83-K322 HydrophobicContact CD1-CG 3.94Å; F319-K322 HydrophobicContact CB-CB 4.01Å; F319-K322 HydrophobicContact CB-CG 3.78Å; F319-K322 PolarHBondContact O-N 3.43Å; P320-K322 VanDerWaalsContact C-N 3.33Å; P320-K322 PolarHBondContact O-N 3.38Å; K322-F324 HydrophobicContact CB-CD2 4.41Å; K322-F324 HydrophobicContact CB-CE2 3.72Å; K322-F324 HydrophobicContact CB-CZ 4.04Å
323	S	95.2	Very high	96.6	Very high	22 Å²	22	34.5 Å²	34.5	15%	0.154	17%	0.172	C	C	.	.			trans	-100.8	133.1	170.5	176.4	0	0	0	0	109	P52	P52-S323 VanDerWaalsContact O-CB 3.24Å; P52-S323 WeakPolarHBondContact O-CB 3.43Å; P52-S323 PolarHBondContact O-OG 2.62Å
324	F	98	Very high	96.3	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.5	-179.9	-65.2	-93.4	0	0	0	111.1	S53 Y54 I83 Y85 L316 F319 K322 F326	S53-F324 CarbonylContact C-O 3.59Å; S53-F324 VanDerWaalsContact CA-O 3.24Å; S53-F324 WeakPolarHBondContact CA-O 3.33Å; S53-F324 WeakPolarHBondContact CB-O 3.41Å; S53-F324 PolarHBondContact OG-N 3.42Å; S53-F324 VanDerWaalsContact OG-N 3.08Å; Y54-F324 PolarHBondContact N-O 3.02Å; I83-F324 HydrophobicContact CB-CD1 4.01Å; I83-F324 HydrophobicContact CB-CE1 4.23Å; I83-F324 HydrophobicContact CD1-CE1 4.13Å; I83-F324 HydrophobicContact CD1-CZ 4.33Å; I83-F324 HydrophobicContact CG2-CD1 3.69Å; I83-F324 HydrophobicContact CG2-CE1 3.71Å; I83-F324 WeakPolarHBondContact O-CA 3.18Å; Y85-F324 AromaticContact CD2-CD1 3.99Å; Y85-F324 HydrophobicContact CD2-CD1 3.99Å; Y85-F324 HydrophobicContact CD2-CE1 4.34Å; Y85-F324 HydrophobicContact CE2-CD1 4.05Å; Y85-F324 AromaticContact CE2-CE1 3.93Å; Y85-F324 HydrophobicContact CE2-CE1 3.93Å; L316-F324 HydrophobicContact CD2-CD2 3.94Å; F319-F324 HydrophobicContact CB-CE2 4.01Å; F319-F324 HydrophobicContact CB-CZ 3.74Å; F319-F324 AromaticContact CD2-CZ 3.94Å; F319-F324 HydrophobicContact CD2-CZ 3.94Å; F319-F324 HydrophobicContact CG-CZ 4.19Å; K322-F324 HydrophobicContact CB-CD2 4.41Å; K322-F324 HydrophobicContact CB-CE2 3.72Å; K322-F324 HydrophobicContact CB-CZ 4.04Å; F324-F326 HydrophobicContact CB-CD2 4.08Å; F324-F326 HydrophobicContact CB-CE1 4.37Å; F324-F326 HydrophobicContact CB-CE2 3.38Å; F324-F326 HydrophobicContact CB-CZ 3.55Å; F324-F326 HydrophobicContact CD1-CZ 4.05Å; F324-F326 HydrophobicContact CG-CE2 4.12Å; F324-F326 AromaticContact CG-CZ 3.84Å; F324-F326 HydrophobicContact CG-CZ 3.84Å
325	F	98.5	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.7	165.5	-169.3	-83.6	0	0	0	109.1	L44 Y54 F56 A77 F78 I83 V84 Y85 A327	L44-F325 HydrophobicContact CD1-CE2 4.22Å; Y54-F325 HydrophobicContact CD2-CD2 4.36Å; Y54-F325 HydrophobicContact CG-CD2 4.45Å; F56-F325 HydrophobicContact CB-CD1 4.46Å; F56-F325 HydrophobicContact CB-CE1 3.47Å; F56-F325 VanDerWaalsContact CB-CE1 3.47Å; F56-F325 HydrophobicContact CB-CE2 4.1Å; F56-F325 HydrophobicContact CB-CZ 3.25Å; F56-F325 HydrophobicContact CD1-CE1 4.16Å; F56-F325 HydrophobicContact CD1-CZ 4.09Å; F56-F325 HydrophobicContact CD2-CZ 4.23Å; F56-F325 AromaticContact CG-CE1 3.99Å; F56-F325 HydrophobicContact CG-CE1 3.99Å; F56-F325 AromaticContact CG-CZ 3.6Å; F56-F325 HydrophobicContact CG-CZ 3.6Å; A77-F325 HydrophobicContact CB-CD2 4.16Å; A77-F325 HydrophobicContact CB-CE2 3.9Å; F78-F325 HydrophobicContact CB-CD2 4.14Å; F78-F325 HydrophobicContact CB-CE1 4.27Å; F78-F325 HydrophobicContact CB-CE2 3.78Å; F78-F325 HydrophobicContact CB-CZ 3.83Å; F78-F325 AromaticContact CD2-CD1 3.85Å; F78-F325 HydrophobicContact CD2-CD1 3.85Å; F78-F325 AromaticContact CD2-CE1 3.81Å; F78-F325 HydrophobicContact CD2-CE1 3.81Å; F78-F325 HydrophobicContact CD2-CG 4.3Å; F78-F325 HydrophobicContact CD2-CZ 4.24Å; I83-F325 PolarHBondContact O-N 2.81Å; V84-F325 CarbonylContact C-O 3.52Å; V84-F325 VanDerWaalsContact CA-O 3.25Å; V84-F325 WeakPolarHBondContact CA-O 3.12Å; V84-F325 HydrophobicContact CG1-CB 4.48Å; V84-F325 HydrophobicContact CG1-CD1 4.15Å; V84-F325 WeakPolarHBondContact CG1-O 3.24Å; V84-F325 HydrophobicContact CG2-CB 4.37Å; Y85-F325 PolarHBondContact N-O 2.96Å; F325-A327 HydrophobicContact CD1-CB 4.4Å; F325-A327 HydrophobicContact CE1-CB 4.15Å
326	F	98.6	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.6	178.8	-62.1	-77.6	0	0	0	109.2	I47 Y54 F55 F56 Y85 V206 V312 L315 L316 F324 F328	I47-F326 HydrophobicContact CD1-CD2 4.41Å; I47-F326 HydrophobicContact CD1-CE2 4.34Å; Y54-F326 WeakPolarHBondContact O-CD2 2.95Å; Y54-F326 PolarHBondContact O-N 3.28Å; F55-F326 CarbonylContact C-O 3.48Å; F55-F326 WeakPolarHBondContact CA-O 3.14Å; F55-F326 HydrophobicContact CD1-CB 3.51Å; F55-F326 HydrophobicContact CD1-CD2 4.05Å; F55-F326 HydrophobicContact CD1-CG 4.06Å; F55-F326 HydrophobicContact CE1-CB 3.86Å; F55-F326 AromaticContact CE1-CD2 3.85Å; F55-F326 HydrophobicContact CE1-CD2 3.85Å; F55-F326 AromaticContact CE1-CG 3.95Å; F55-F326 HydrophobicContact CE1-CG 3.95Å; F56-F326 PolarHBondContact N-O 2.88Å; Y85-F326 VanDerWaalsContact CB-CD1 3.48Å; Y85-F326 HydrophobicContact CD2-CE1 4.39Å; Y85-F326 HydrophobicContact CG-CD1 4.28Å; Y85-F326 HydrophobicContact CG-CE1 4.04Å; Y85-F326 CarbonylContact O-C 3.51Å; Y85-F326 WeakPolarHBondContact O-CA 3.29Å; V206-F326 HydrophobicContact CG1-CD1 4.4Å; V206-F326 HydrophobicContact CG1-CE1 4.47Å; V312-F326 HydrophobicContact CB-CZ 4.44Å; V312-F326 HydrophobicContact CG1-CD2 4.21Å; V312-F326 HydrophobicContact CG1-CE1 4.23Å; V312-F326 HydrophobicContact CG1-CE2 3.72Å; V312-F326 HydrophobicContact CG1-CZ 3.74Å; V312-F326 HydrophobicContact CG2-CD1 3.99Å; V312-F326 HydrophobicContact CG2-CE1 3.94Å; V312-F326 HydrophobicContact CG2-CG 4.41Å; V312-F326 HydrophobicContact CG2-CZ 4.3Å; L315-F326 HydrophobicContact CD1-CE1 3.9Å; L315-F326 HydrophobicContact CD1-CZ 4.41Å; L316-F326 HydrophobicContact CD2-CE2 4.19Å; L316-F326 HydrophobicContact CD2-CZ 4.49Å; F324-F326 HydrophobicContact CB-CD2 4.08Å; F324-F326 HydrophobicContact CB-CE1 4.37Å; F324-F326 HydrophobicContact CB-CE2 3.38Å; F324-F326 HydrophobicContact CB-CZ 3.55Å; F324-F326 HydrophobicContact CD1-CZ 4.05Å; F324-F326 HydrophobicContact CG-CE2 4.12Å; F324-F326 AromaticContact CG-CZ 3.84Å; F324-F326 HydrophobicContact CG-CZ 3.84Å; F326-F328 HydrophobicContact CB-CE1 4.13Å; F326-F328 HydrophobicContact CB-CE2 3.98Å; F326-F328 HydrophobicContact CB-CZ 3.72Å; F326-F328 HydrophobicContact CD1-CE1 4.37Å; F326-F328 HydrophobicContact CD1-CE2 4.49Å; F326-F328 AromaticContact CD1-CZ 3.73Å; F326-F328 HydrophobicContact CD1-CZ 3.73Å; F326-F328 HydrophobicContact CG-CE2 4.49Å; F326-F328 HydrophobicContact CG-CZ 4.08Å
327	A	98.2	Very high	95.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.6	178	0	0	0	0	0	109.8	F56 T58 Y85 F86 L192 F325	F56-A327 WeakPolarHBondContact O-CA 3.21Å; T58-A327 HydrophobicContact CG2-CB 4.12Å; Y85-A327 PolarHBondContact O-N 3.44Å; F86-A327 HydrophobicContact CD1-CB 3.78Å; F86-A327 HydrophobicContact CE1-CB 3.76Å; L192-A327 HydrophobicContact CD1-CB 4.22Å; F325-A327 HydrophobicContact CD1-CB 4.4Å; F325-A327 HydrophobicContact CE1-CB 4.15Å
328	F	97.6	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	159.4	-179	-51	-30.7	0	0	0	110.1	F55 F56 G57 T58 E87 V206 M308 V312 F326 A330 F333	F55-F328 HydrophobicContact CD1-CD2 4.37Å; F55-F328 HydrophobicContact CD1-CE2 4.18Å; F55-F328 HydrophobicContact CE1-CD2 4.47Å; F55-F328 AromaticContact CE1-CE2 3.93Å; F55-F328 HydrophobicContact CE1-CE2 3.93Å; F56-F328 PolarHBondContact O-N 2.86Å; F56-F328 VanDerWaalsContact O-O 3.08Å; G57-F328 CarbonylContact C-O 3.56Å; G57-F328 VanDerWaalsContact CA-O 3.22Å; G57-F328 WeakPolarHBondContact CA-O 3.47Å; T58-F328 PolarHBondContact N-O 3.47Å; T58-F328 PolarHBondContact OG1-O 3.48Å; E87-F328 HydrophobicContact CG-CB 4.03Å; E87-F328 HydrophobicContact CG-CD1 3.67Å; E87-F328 HydrophobicContact CG-CG 4.17Å; E87-F328 WeakPolarHBondContact OE1-CA 3.42Å; E87-F328 WeakPolarHBondContact OE1-CB 3.24Å; V206-F328 HydrophobicContact CB-CE1 4.44Å; V206-F328 HydrophobicContact CB-CZ 4.26Å; V206-F328 HydrophobicContact CG1-CE1 4.08Å; V206-F328 HydrophobicContact CG1-CZ 3.77Å; V206-F328 HydrophobicContact CG2-CD1 4.35Å; V206-F328 HydrophobicContact CG2-CE1 3.49Å; V206-F328 VanDerWaalsContact CG2-CE1 3.49Å; V206-F328 HydrophobicContact CG2-CE2 4.4Å; V206-F328 HydrophobicContact CG2-CZ 3.52Å; M308-F328 HydrophobicContact CE-CB 3.84Å; M308-F328 HydrophobicContact CE-CD1 3.62Å; M308-F328 HydrophobicContact CE-CD2 3.35Å; M308-F328 HydrophobicContact CE-CE1 3.99Å; M308-F328 HydrophobicContact CE-CE2 3.71Å; M308-F328 HydrophobicContact CE-CG 3.33Å; M308-F328 HydrophobicContact CE-CZ 4.03Å; V312-F328 HydrophobicContact CG2-CE2 3.93Å; V312-F328 HydrophobicContact CG2-CZ 3.98Å; F326-F328 HydrophobicContact CB-CE1 4.13Å; F326-F328 HydrophobicContact CB-CE2 3.98Å; F326-F328 HydrophobicContact CB-CZ 3.72Å; F326-F328 HydrophobicContact CD1-CE1 4.37Å; F326-F328 HydrophobicContact CD1-CE2 4.49Å; F326-F328 AromaticContact CD1-CZ 3.73Å; F326-F328 HydrophobicContact CD1-CZ 3.73Å; F326-F328 HydrophobicContact CG-CE2 4.49Å; F326-F328 HydrophobicContact CG-CZ 4.08Å; F328-A330 PolarHBondContact O-N 2.76Å; F328-F333 HydrophobicContact CB-CE2 3.9Å; F328-F333 HydrophobicContact CB-CZ 3.7Å; F328-F333 HydrophobicContact CD2-CE1 4.03Å; F328-F333 AromaticContact CD2-CZ 3.57Å; F328-F333 HydrophobicContact CD2-CZ 3.57Å; F328-F333 AromaticContact CG-CZ 3.99Å; F328-F333 HydrophobicContact CG-CZ 3.99Å
329	G	95.6	Very high	95.3	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	135.3	174.7	0	0	0	0	0	111.8	T58 E87 G331 H332	T58-G329 CarbonylContact O-C 3.54Å; T58-G329 WeakPolarHBondContact O-CA 3.48Å; T58-G329 PolarHBondContact OG1-N 2.82Å; E87-G329 PolarHBondContact OE1-N 2.86Å; G329-G331 PolarHBondContact O-N 2.59Å; G329-G331 VanDerWaalsContact O-N 3.08Å; G329-H332 WeakPolarHBondContact O-CB 3.34Å; G329-H332 PolarHBondContact O-CD2 3.38Å; G329-H332 PolarHBondContact O-N 3.35Å
330	A	94.7	Very high	95.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.2	-173.1	0	0	0	0	0	113.6	F43 T58 I59 F266 F328 H332 F333 L334	F43-A330 HydrophobicContact CD1-CB 3.77Å; F43-A330 HydrophobicContact CE1-CB 3.97Å; T58-A330 WeakPolarHBondContact O-CB 3.27Å; T58-A330 PolarHBondContact O-N 3.36Å; I59-A330 HydrophobicContact CG2-CB 4.21Å; F266-A330 HydrophobicContact CB-CB 4.12Å; F266-A330 HydrophobicContact CD1-CB 3.92Å; F266-A330 HydrophobicContact CG-CB 4.06Å; F328-A330 PolarHBondContact O-N 2.76Å; A330-H332 PolarHBondContact O-N 2.87Å; A330-F333 PolarHBondContact O-N 3Å; A330-F333 VanDerWaalsContact O-N 3.14Å; A330-L334 WeakPolarHBondContact O-CG 3.47Å
331	G	92.3	Very high	95.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.1	175.2	0	0	0	0	0	113.6	N267 S270 G329 F333 L334	N267-G331 VanDerWaalsContact OD1-CA 3.29Å; N267-G331 WeakPolarHBondContact OD1-CA 3.46Å; N267-G331 PolarHBondContact OD1-O 2.8Å; S270-G331 WeakPolarHBondContact OG-CA 3.43Å; S270-G331 PolarHBondContact OG-N 2.91Å; G329-G331 PolarHBondContact O-N 2.59Å; G329-G331 VanDerWaalsContact O-N 3.08Å; G331-F333 PolarHBondContact O-N 3.49Å; G331-L334 PolarHBondContact O-N 3.35Å
332	H	96.3	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-69.1	-12.4	176.8	-66.2	-60.1	0	0	0	113.9	E87 R304 N305 G329 A330 T338 V339	E87-H332 IonicContact OE1-CD2 2.71Å; E87-H332 PolarHBondContact OE1-CD2 2.9Å; E87-H332 IonicContact OE1-NE2 2.68Å; E87-H332 PolarHBondContact OE1-NE2 3.05Å; R304-H332 PolarHBondContact NH1-NE2 3.38Å; N305-H332 PolarHBondContact OD1-ND1 2.76Å; G329-H332 WeakPolarHBondContact O-CB 3.34Å; G329-H332 PolarHBondContact O-CD2 3.38Å; G329-H332 PolarHBondContact O-N 3.35Å; A330-H332 PolarHBondContact O-N 2.87Å; H332-T338 WeakPolarHBondContact O-CA 3.32Å; H332-T338 VanDerWaalsContact O-CB 3.3Å; H332-T338 WeakPolarHBondContact O-CB 3.38Å; H332-V339 HydrophobicContact CB-CG2 4.09Å; H332-V339 PolarHBondContact O-N 2.85Å
333	F	95.6	Very high	95.8	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.039	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-114.4	-6.2	-177.7	-54	-55.9	0	0	0	113.9	W45 F55 F328 A330 G331 V339 I340	W45-F333 HydrophobicContact CD2-CB 4.5Å; W45-F333 HydrophobicContact CE3-CB 4.26Å; W45-F333 HydrophobicContact CE3-CD2 4.22Å; W45-F333 HydrophobicContact CE3-CG 4.17Å; W45-F333 HydrophobicContact CH2-CB 3.65Å; W45-F333 HydrophobicContact CH2-CD2 4.28Å; W45-F333 HydrophobicContact CH2-CG 4.26Å; W45-F333 HydrophobicContact CZ2-CB 3.88Å; W45-F333 HydrophobicContact CZ3-CB 3.84Å; W45-F333 AromaticContact CZ3-CD2 3.73Å; W45-F333 HydrophobicContact CZ3-CD2 3.73Å; W45-F333 AromaticContact CZ3-CG 3.92Å; W45-F333 HydrophobicContact CZ3-CG 3.92Å; F55-F333 HydrophobicContact CB-CD1 4.32Å; F55-F333 HydrophobicContact CB-CE1 3.66Å; F55-F333 HydrophobicContact CB-CE2 4.37Å; F55-F333 HydrophobicContact CB-CZ 3.68Å; F55-F333 AromaticContact CD1-CE1 3.55Å; F55-F333 HydrophobicContact CD1-CE1 3.55Å; F55-F333 AromaticContact CD1-CZ 3.75Å; F55-F333 HydrophobicContact CD1-CZ 3.75Å; F55-F333 HydrophobicContact CD2-CE1 4.28Å; F55-F333 HydrophobicContact CE1-CE1 4.23Å; F55-F333 HydrophobicContact CG-CD1 4.41Å; F55-F333 AromaticContact CG-CE1 3.59Å; F55-F333 HydrophobicContact CG-CE1 3.59Å; F55-F333 AromaticContact CG-CZ 3.96Å; F55-F333 HydrophobicContact CG-CZ 3.96Å; F328-F333 HydrophobicContact CB-CE2 3.9Å; F328-F333 HydrophobicContact CB-CZ 3.7Å; F328-F333 HydrophobicContact CD2-CE1 4.03Å; F328-F333 AromaticContact CD2-CZ 3.57Å; F328-F333 HydrophobicContact CD2-CZ 3.57Å; F328-F333 AromaticContact CG-CZ 3.99Å; F328-F333 HydrophobicContact CG-CZ 3.99Å; A330-F333 PolarHBondContact O-N 3Å; A330-F333 VanDerWaalsContact O-N 3.14Å; G331-F333 PolarHBondContact O-N 3.49Å; F333-V339 HydrophobicContact CD1-CB 4.36Å; F333-V339 HydrophobicContact CE1-CB 4.17Å; F333-V339 HydrophobicContact CE1-CG1 4.38Å; F333-I340 HydrophobicContact CB-CD1 3.86Å; F333-I340 HydrophobicContact CD1-CD1 3.99Å; F333-I340 HydrophobicContact CD1-CG1 4Å; F333-I340 HydrophobicContact CG-CD1 4.32Å
334	L	91.7	Very high	95.9	Very high	16 Å²	16	21.3 Å²	21.3	8%	0.084	12%	0.12	C	C	.	.	S	Bend	trans	-118.9	132.3	-171.3	-63.2	177.2	0	0	0	112.2	F43 W45 L261 F266 A330 G331	F43-L334 HydrophobicContact CE1-CD1 4Å; W45-L334 HydrophobicContact CH2-CD2 4.43Å; W45-L334 HydrophobicContact CZ2-CD2 4.11Å; L261-L334 HydrophobicContact CB-CD2 4Å; L261-L334 HydrophobicContact CD2-CD2 4.13Å; F266-L334 HydrophobicContact CB-CD1 4.14Å; F266-L334 HydrophobicContact CD2-CD1 3.34Å; F266-L334 HydrophobicContact CE2-CD1 4.03Å; F266-L334 HydrophobicContact CG-CD1 3.93Å; A330-L334 WeakPolarHBondContact O-CG 3.47Å; G331-L334 PolarHBondContact O-N 3.35Å
335	G	89.8	Confident	95.9	Very high	43 Å²	43	28.4 Å²	28.4	44%	0.443	15%	0.147	S	C	.	.	S	Bend	trans	98	-145	-176.9	0	0	0	0	0	112	T338	G335-T338 WeakPolarHBondContact O-CG2 3.5Å
336	N	90.1	Very high	95.8	Very high	125 Å²	125	33.4 Å²	33.4	67%	0.668	17%	0.167	S	C	*	.	S	Bend	trans	-108.8	156.4	-178.2	-60.9	-18.4	0	0	0	110.5	T338	N336-T338 VanDerWaalsContact C-N 3.26Å; N336-T338 PolarHBondContact O-N 3.24Å
337	N	93	Very high	95.7	Very high	75 Å²	75	36.7 Å²	36.7	40%	0.401	20%	0.2	S	C	.	.	S	Bend	trans	60	39.1	179.9	-58.8	85.8	0	0	0	112	Y302 N305 D341	Y302-N337 HydrophobicContact CD1-CB 3.79Å; Y302-N337 HydrophobicContact CE1-CB 3.87Å; N305-N337 WeakPolarHBondContact CB-O 3.14Å; N305-N337 PolarHBondContact ND2-O 3.31Å; N337-D341 PolarHBondContact N-OD2 2.92Å
338	T	96.4	Very high	95.7	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.025	21%	0.208	C	C	.	.			trans	-79.8	166.3	179.9	63.8	0	0	0	0	111.3	H332 G335 N336 I340 D341 V342	H332-T338 WeakPolarHBondContact O-CA 3.32Å; H332-T338 VanDerWaalsContact O-CB 3.3Å; H332-T338 WeakPolarHBondContact O-CB 3.38Å; G335-T338 WeakPolarHBondContact O-CG2 3.5Å; N336-T338 VanDerWaalsContact C-N 3.26Å; N336-T338 PolarHBondContact O-N 3.24Å; T338-I340 PolarHBondContact O-N 3.37Å; T338-I340 PolarHBondContact OG1-N 3.42Å; T338-D341 PolarHBondContact N-OD2 2.93Å; T338-D341 PolarHBondContact O-N 2.85Å; T338-D341 PolarHBondContact OG1-N 3.33Å; T338-D341 VanDerWaalsContact OG1-N 3.12Å; T338-D341 PolarHBondContact OG1-OD2 3.37Å; T338-V342 WeakPolarHBondContact O-CG2 3.41Å; T338-V342 PolarHBondContact O-N 3.38Å
339	V	97.9	Very high	95.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-32.8	170.3	174.6	0	0	0	0	111.3	F55 N305 M308 H332 F333 V342 L343	F55-V339 HydrophobicContact CE1-CG1 3.93Å; F55-V339 HydrophobicContact CZ-CG1 3.77Å; N305-V339 HydrophobicContact CB-CG2 4.18Å; M308-V339 HydrophobicContact CB-CG2 3.99Å; M308-V339 HydrophobicContact SD-CG2 4.45Å; H332-V339 HydrophobicContact CB-CG2 4.09Å; H332-V339 PolarHBondContact O-N 2.85Å; F333-V339 HydrophobicContact CD1-CB 4.36Å; F333-V339 HydrophobicContact CE1-CB 4.17Å; F333-V339 HydrophobicContact CE1-CG1 4.38Å; V339-V342 PolarHBondContact O-N 3.43Å; V339-L343 PolarHBondContact O-N 2.89Å
340	I	97.6	Very high	95.7	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-45.3	175.7	-66	164.5	0	0	0	110.7	W45 F55 F333 T338 V342 L343 K344 V350	W45-I340 HydrophobicContact CB-CD1 4.48Å; W45-I340 VanDerWaalsContact CD1-CD1 3.41Å; W45-I340 HydrophobicContact CD2-CD1 3.9Å; W45-I340 HydrophobicContact CG-CD1 3.72Å; F55-I340 HydrophobicContact CD2-CG1 4.48Å; F333-I340 HydrophobicContact CB-CD1 3.86Å; F333-I340 HydrophobicContact CD1-CD1 3.99Å; F333-I340 HydrophobicContact CD1-CG1 4Å; F333-I340 HydrophobicContact CG-CD1 4.32Å; T338-I340 PolarHBondContact O-N 3.37Å; T338-I340 PolarHBondContact OG1-N 3.42Å; I340-V342 VanDerWaalsContact C-N 3.3Å; I340-V342 PolarHBondContact O-N 3.22Å; I340-L343 PolarHBondContact O-N 3.16Å; I340-K344 HydrophobicContact CG2-CD 4.04Å; I340-K344 HydrophobicContact CG2-CG 4.42Å; I340-K344 WeakPolarHBondContact O-CB 3.35Å; I340-K344 WeakPolarHBondContact O-CG 3.47Å; I340-K344 PolarHBondContact O-N 3.49Å; I340-V350 HydrophobicContact CG1-CG1 4.07Å; I340-V350 HydrophobicContact CG2-CB 4.02Å; I340-V350 HydrophobicContact CG2-CG1 3.99Å
341	D	97.6	Very high	95.7	Very high	53 Å²	53	44.8 Å²	44.8	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-39.2	178.3	-59.2	-41.5	0	0	0	111.2	N337 T338 K344 R345	N337-D341 PolarHBondContact N-OD2 2.92Å; T338-D341 PolarHBondContact N-OD2 2.93Å; T338-D341 PolarHBondContact O-N 2.85Å; T338-D341 PolarHBondContact OG1-N 3.33Å; T338-D341 VanDerWaalsContact OG1-N 3.12Å; T338-D341 PolarHBondContact OG1-OD2 3.37Å; D341-K344 PolarHBondContact O-N 3.22Å; D341-R345 WeakPolarHBondContact O-CG 3.41Å; D341-R345 PolarHBondContact O-N 3.09Å
342	V	98.2	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-50.1	174.4	178.4	0	0	0	0	110.4	T338 V339 I340 K344 R345 Y346	T338-V342 WeakPolarHBondContact O-CG2 3.41Å; T338-V342 PolarHBondContact O-N 3.38Å; V339-V342 PolarHBondContact O-N 3.43Å; I340-V342 VanDerWaalsContact C-N 3.3Å; I340-V342 PolarHBondContact O-N 3.22Å; V342-K344 PolarHBondContact O-N 3.23Å; V342-R345 PolarHBondContact O-N 3.02Å; V342-Y346 HydrophobicContact CG1-CD2 4.08Å; V342-Y346 HydrophobicContact CG1-CE2 3.65Å; V342-Y346 WeakPolarHBondContact O-CD2 3.35Å; V342-Y346 PolarHBondContact O-N 3.2Å
343	L	98.1	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-38.2	177.8	-81.8	-155	0	0	0	113.5	I47 F55 G309 V312 K313 L316 V339 I340 R345 Y346 G347 Y348 V350	I47-L343 HydrophobicContact CD1-CD1 3.9Å; I47-L343 HydrophobicContact CG1-CD1 4.47Å; F55-L343 HydrophobicContact CE2-CD1 3.64Å; F55-L343 HydrophobicContact CE2-CG 4.45Å; F55-L343 HydrophobicContact CZ-CD1 3.57Å; F55-L343 HydrophobicContact CZ-CG 4.24Å; G309-L343 WeakPolarHBondContact O-CD2 3.42Å; V312-L343 HydrophobicContact CG1-CD1 3.95Å; V312-L343 HydrophobicContact CG1-CD2 4.33Å; K313-L343 HydrophobicContact CB-CD2 3.73Å; L316-L343 HydrophobicContact CD1-CD1 4Å; V339-L343 PolarHBondContact O-N 2.89Å; I340-L343 PolarHBondContact O-N 3.16Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.29Å; L343-Y346 CarbonylContact O-C 3.54Å; L343-Y346 WeakPolarHBondContact O-CA 3.29Å; L343-Y346 WeakPolarHBondContact O-CB 3.31Å; L343-Y346 PolarHBondContact O-N 3.3Å; L343-G347 PolarHBondContact O-N 2.69Å; L343-Y348 HydrophobicContact CD2-CD2 4.13Å; L343-Y348 HydrophobicContact CD2-CE2 4.48Å; L343-Y348 PolarHBondContact O-N 2.94Å; L343-Y348 VanDerWaalsContact O-N 3.13Å; L343-V350 HydrophobicContact CB-CG2 4.1Å; L343-V350 HydrophobicContact CD1-CG2 4.17Å
344	K	97.8	Very high	95.1	Very high	105 Å²	105	49.8 Å²	49.8	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-38	175.7	-76.7	176.2	177.4	175.5	0	111.9	I340 D341 V342 Y346 G347 V350	I340-K344 HydrophobicContact CG2-CD 4.04Å; I340-K344 HydrophobicContact CG2-CG 4.42Å; I340-K344 WeakPolarHBondContact O-CB 3.35Å; I340-K344 WeakPolarHBondContact O-CG 3.47Å; I340-K344 PolarHBondContact O-N 3.49Å; D341-K344 PolarHBondContact O-N 3.22Å; V342-K344 PolarHBondContact O-N 3.23Å; K344-Y346 PolarHBondContact O-N 3.15Å; K344-G347 PolarHBondContact O-N 2.86Å; K344-V350 WeakPolarHBondContact CE-O 3.12Å
345	R	97.7	Very high	94.8	Very high	149 Å²	149	49.5 Å²	49.5	56%	0.562	27%	0.268	S	S	*	.	H	α-helix	trans	-64	-28.9	172.8	-71.7	-174.5	-55.5	-165.4	4.7	112.9	E306 D341 V342 L343 G347	E306-R345 IonicContact OE1-CZ 3.5Å; E306-R345 IonicContact OE1-NH1 3.44Å; E306-R345 PolarHBondContact OE1-NH1 3.21Å; E306-R345 IonicContact OE1-NH2 3.68Å; E306-R345 PolarHBondContact OE1-NH2 3.42Å; E306-R345 IonicContact OE2-NH2 3.85Å; E306-R345 PolarHBondContact OE2-NH2 3.14Å; D341-R345 WeakPolarHBondContact O-CG 3.41Å; D341-R345 PolarHBondContact O-N 3.09Å; V342-R345 PolarHBondContact O-N 3.02Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.29Å; R345-G347 PolarHBondContact O-N 3.47Å
346	Y	97.3	Very high	94.3	Very high	108 Å²	108	49.7 Å²	49.7	42%	0.424	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.3	171.4	-68.5	-61.2	0	0	0	113.9	K313 V342 L343 K344	K313-Y346 HydrophobicContact CB-CD2 4.13Å; K313-Y346 HydrophobicContact CG-CD1 4.44Å; K313-Y346 HydrophobicContact CG-CD2 4.04Å; K313-Y346 HydrophobicContact CG-CG 3.99Å; V342-Y346 HydrophobicContact CG1-CD2 4.08Å; V342-Y346 HydrophobicContact CG1-CE2 3.65Å; V342-Y346 WeakPolarHBondContact O-CD2 3.35Å; V342-Y346 PolarHBondContact O-N 3.2Å; L343-Y346 CarbonylContact O-C 3.54Å; L343-Y346 WeakPolarHBondContact O-CA 3.29Å; L343-Y346 WeakPolarHBondContact O-CB 3.31Å; L343-Y346 PolarHBondContact O-N 3.3Å; K344-Y346 PolarHBondContact O-N 3.15Å
347	G	96.9	Very high	93.9	Very high	69 Å²	69	50.5 Å²	50.5	71%	0.711	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	7.7	175.2	0	0	0	0	0	115.4	L343 K344 R345	L343-G347 PolarHBondContact O-N 2.69Å; K344-G347 PolarHBondContact O-N 2.86Å; R345-G347 PolarHBondContact O-N 3.47Å
348	Y	97.4	Very high	93.3	Very high	43 Å²	43	52 Å²	52	17%	0.169	28%	0.279	C	S	.	.			trans	-80	134	174.1	-70	-87.7	0	0	0	111.6	I47 K313 L316 E317 L343 V350	I47-Y348 HydrophobicContact CG2-CD1 3.92Å; I47-Y348 HydrophobicContact CG2-CG 4.48Å; K313-Y348 HydrophobicContact CB-CE2 4.39Å; K313-Y348 HydrophobicContact CG-CE2 3.99Å; L316-Y348 HydrophobicContact CB-CE1 4.3Å; L316-Y348 HydrophobicContact CD1-CD1 4.33Å; L316-Y348 HydrophobicContact CD1-CE1 4Å; E317-Y348 WeakPolarHBondContact CG-OH 3.18Å; L343-Y348 HydrophobicContact CD2-CD2 4.13Å; L343-Y348 HydrophobicContact CD2-CE2 4.48Å; L343-Y348 PolarHBondContact O-N 2.94Å; L343-Y348 VanDerWaalsContact O-N 3.13Å; Y348-V350 PolarHBondContact O-N 3.43Å
349	D	96.4	Very high	92.6	Very high	67 Å²	67	52.7 Å²	52.7	36%	0.358	28%	0.282	S	S	.	.			trans	-83.7	109.3	169	-176.7	11.4	0	0	0	109.6	K48 L351	K48-D349 HydrophobicContact CB-CB 4.17Å; K48-D349 HydrophobicContact CD-CB 4.42Å; K48-D349 VanDerWaalsContact CD-OD2 3.22Å; K48-D349 WeakPolarHBondContact CD-OD2 3.21Å; K48-D349 WeakPolarHBondContact CE-OD2 3.25Å; K48-D349 HydrophobicContact CG-CB 4.36Å; K48-D349 PolarHBondContact N-O 3.3Å; K48-D349 IonicContact NZ-OD2 2.68Å; K48-D349 PolarHBondContact NZ-OD2 3.32Å; D349-L351 WeakPolarHBondContact OD1-CD2 3.49Å; D349-L351 WeakPolarHBondContact OD1-CG 3.47Å
350	V	96.9	Very high	91.1	Very high	2 Å²	2	59 Å²	59	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.7	-180	-173.8	0	0	0	0	109	W45 T46 I47 F55 I340 L343 K344 Y348	W45-V350 HydrophobicContact CB-CG1 4.02Å; T46-V350 WeakPolarHBondContact O-CA 3.35Å; I47-V350 HydrophobicContact CG1-CG1 4.42Å; I47-V350 HydrophobicContact CG1-CG2 4.22Å; I47-V350 HydrophobicContact CG2-CG2 4.34Å; F55-V350 HydrophobicContact CD2-CG1 4.08Å; F55-V350 HydrophobicContact CE2-CG1 4.25Å; I340-V350 HydrophobicContact CG1-CG1 4.07Å; I340-V350 HydrophobicContact CG2-CB 4.02Å; I340-V350 HydrophobicContact CG2-CG1 3.99Å; L343-V350 HydrophobicContact CB-CG2 4.1Å; L343-V350 HydrophobicContact CD1-CG2 4.17Å; K344-V350 WeakPolarHBondContact CE-O 3.12Å; Y348-V350 PolarHBondContact O-N 3.43Å
351	L	94.3	Very high	89.1	Confident	63 Å²	63	64.2 Å²	64.2	33%	0.33	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.8	-176	-61.7	-176.3	0	0	0	111.5	W45 T46 D349 T353	W45-L351 CarbonylContact C-O 3.59Å; W45-L351 VanDerWaalsContact CA-O 3.25Å; W45-L351 WeakPolarHBondContact CA-O 3.23Å; T46-L351 PolarHBondContact N-O 3.06Å; T46-L351 PolarHBondContact O-N 3.43Å; D349-L351 WeakPolarHBondContact OD1-CD2 3.49Å; D349-L351 WeakPolarHBondContact OD1-CG 3.47Å; L351-T353 PolarHBondContact O-N 3.43Å
352	H	93.4	Very high	86.8	Confident	55 Å²	55	67.4 Å²	67.4	26%	0.255	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	133	165	-179.7	-103.1	0	0	0	109.5	S42 W45 P354	S42-H352 PolarHBondContact O-NE2 3.34Å; W45-H352 VanDerWaalsContact CD1-CA 3.42Å; W45-H352 AromaticContact CE2-CD2 3.83Å; W45-H352 AromaticContact NE1-CD2 3.76Å; H352-P354 WeakPolarHBondContact O-CD 3.25Å
353	T	91.7	Very high	84.2	Confident	2 Å²	2	70 Å²	70	1%	0.012	39%	0.386	C	S	.	.			trans	-106.4	107.4	-179	-56.2	0	0	0	0	107.4	S42 L44 T46 L351 R357 I359	S42-T353 PolarHBondContact OG-O 3.42Å; L44-T353 HydrophobicContact CD2-CG2 3.86Å; L44-T353 WeakPolarHBondContact O-CB 3.25Å; L44-T353 PolarHBondContact O-N 3.4Å; T46-T353 WeakPolarHBondContact CB-OG1 3.46Å; T46-T353 PolarHBondContact N-OG1 3.45Å; T46-T353 PolarHBondContact OG1-OG1 3.19Å; L351-T353 PolarHBondContact O-N 3.43Å; T353-R357 HydrophobicContact CG2-CB 4.48Å; T353-I359 HydrophobicContact CG2-CD1 3.86Å
354	P	87.8	Confident	81.3	Confident	58 Å²	58	79.5 Å²	79.5	38%	0.377	43%	0.428	S	S	.	.			trans	-65.5	150.9	-179.4	-21.8	33.5	0	0	0	112.2	N73 H352 G356 R357	N73-P354 PolarHBondContact ND2-O 3.26Å; H352-P354 WeakPolarHBondContact O-CD 3.25Å; P354-G356 PolarHBondContact O-N 2.81Å; P354-G356 VanDerWaalsContact O-N 3.14Å; P354-R357 WeakPolarHBondContact O-CB 3.4Å; P354-R357 PolarHBondContact O-N 2.88Å
355	A	83.9	Confident	78.6	Confident	11 Å²	11	78.4 Å²	78.4	9%	0.091	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.5	-175.1	0	0	0	0	0	113.6	Q37 L40 S42 P71 N73 R357	Q37-A355 WeakPolarHBondContact O-CB 3.4Å; L40-A355 WeakPolarHBondContact O-CB 3.43Å; S42-A355 WeakPolarHBondContact OG-CA 3.34Å; S42-A355 PolarHBondContact OG-N 3.45Å; S42-A355 VanDerWaalsContact OG-N 3.07Å; P71-A355 HydrophobicContact CB-CB 3.68Å; P71-A355 HydrophobicContact CG-CB 3.61Å; N73-A355 WeakPolarHBondContact ND2-CA 3.23Å; A355-R357 VanDerWaalsContact C-N 3.3Å; A355-R357 PolarHBondContact O-N 2.86Å
356	G	79.3	Confident	75.5	Confident	46 Å²	46	80 Å²	80	47%	0.474	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.8	179.9	0	0	0	0	0	115.5	S38 P354	S38-G356 VanDerWaalsContact CB-CA 3.5Å; S38-G356 PolarHBondContact O-N 3.44Å; P354-G356 PolarHBondContact O-N 2.81Å; P354-G356 VanDerWaalsContact O-N 3.14Å
357	R	82.3	Confident	72.6	Confident	143 Å²	143	84.4 Å²	84.4	54%	0.54	48%	0.478	S	S	.	.	S	Bend	trans	-87.1	119.2	-177.5	-172.5	176.4	-179.6	171.9	1.6	110.1	N73 T353 P354 A355	N73-R357 WeakPolarHBondContact CB-O 3.41Å; T353-R357 HydrophobicContact CG2-CB 4.48Å; P354-R357 WeakPolarHBondContact O-CB 3.4Å; P354-R357 PolarHBondContact O-N 2.88Å; A355-R357 VanDerWaalsContact C-N 3.3Å; A355-R357 PolarHBondContact O-N 2.86Å
358	S	79.5	Confident	69.5	Low	105 Å²	105	87.5 Å²	87.5	73%	0.734	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-65.9	139	174	-54.5	0	0	0	0	111.6
359	I	82.3	Confident	66.3	Low	19 Å²	19	93 Å²	93	10%	0.097	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-80.8	122.2	170.1	-52.3	-57.9	0	0	0	107.9	L44 Y54 N73 T76 A77 T353 N361	L44-I359 HydrophobicContact CD2-CD1 4.05Å; Y54-I359 HydrophobicContact CE1-CD1 4.2Å; Y54-I359 HydrophobicContact CE1-CG2 4.16Å; Y54-I359 WeakPolarHBondContact OH-CG2 3.46Å; N73-I359 HydrophobicContact CB-CD1 4.35Å; N73-I359 HydrophobicContact CB-CG1 4.13Å; N73-I359 WeakPolarHBondContact O-CG1 3.49Å; T76-I359 HydrophobicContact CG2-CB 4.32Å; A77-I359 HydrophobicContact CB-CG1 4.37Å; T353-I359 HydrophobicContact CG2-CD1 3.86Å; I359-N361 PolarHBondContact O-N 3.23Å
360	I	67.3	Low	63.1	Low	134 Å²	134	97.3 Å²	97.3	69%	0.687	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-68.4	120.9	-175.3	-60.1	174.4	0	0	0	109.3	N362	I360-N362 PolarHBondContact O-N 2.9Å
361	N	55.3	Low	60	Low	117 Å²	117	103.1 Å²	103.1	63%	0.626	57%	0.57	S	S	*	*			trans	-68.2	93.4	170.3	-82.9	-37.4	0	0	0	109.8	Q80 I359 G363	Q80-N361 PolarHBondContact NE2-OD1 2.93Å; I359-N361 PolarHBondContact O-N 3.23Å; N361-G363 PolarHBondContact O-N 3.37Å
362	N	48.6	Very low	56.8	Low	120 Å²	120	104.8 Å²	104.8	64%	0.642	59%	0.587	S	S	*	*			trans	-76.5	47.2	164.9	-83.7	6.1	0	0	0	111.3	D50 I360	D50-N362 PolarHBondContact OD1-ND2 3.2Å; I360-N362 PolarHBondContact O-N 2.9Å
363	G	44.5	Very low	53.8	Low	54 Å²	54	110.5 Å²	110.5	56%	0.557	61%	0.611	S	S	*	*	S	Bend	trans	-152.4	49.6	-171.7	0	0	0	0	0	112.6	N361	N361-G363 PolarHBondContact O-N 3.37Å
364	K	36.7	Very low	50.7	Low	200 Å²	200	119 Å²	119	87%	0.87	65%	0.648	S	S	*	*	S	Bend	trans	179.8	116.5	153.9	-98	160.1	-167.9	-175	0	107.6	K366	K364-K366 PolarHBondContact O-N 2.96Å
365	G	40.8	Very low	47.8	Very low	82 Å²	82	121.2 Å²	121.2	85%	0.845	67%	0.665	S	S	*	*			trans	-53.7	122.6	-168.2	0	0	0	0	0	114.1	K367	G365-K367 PolarHBondContact O-N 3.49Å
366	K	32	Very low	45	Very low	183 Å²	183	125.7 Å²	125.7	80%	0.796	70%	0.696	S	S	*	*			trans	-85.1	96.1	147.8	-84	-176.1	175.3	178.6	0	107.4	K364 N368	K364-K366 PolarHBondContact O-N 2.96Å; K366-N368 VanDerWaalsContact C-N 3.28Å; K366-N368 PolarHBondContact O-N 3.36Å
367	K	36.8	Very low	42.5	Very low	199 Å²	199	129 Å²	129	87%	0.865	71%	0.712	S	S	*	*			trans	-61.9	98.2	152.4	-77.5	-178.1	176.9	178.6	0	106.3	G365	G365-K367 PolarHBondContact O-N 3.49Å
368	N	32.3	Very low	40	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	72%	0.724	S	S	*	*			trans	-97.4	117.1	162.7	-81.6	-1.3	0	0	0	108.1	K366	K366-N368 VanDerWaalsContact C-N 3.28Å; K366-N368 PolarHBondContact O-N 3.36Å
369	L	29.4	Very low	37.5	Very low	157 Å²	157	130 Å²	130	82%	0.822	73%	0.728	S	S	*	*			trans	-41	128.2	171.9	-83.6	56.6	0	0	0	111.8
370	L	29.3	Very low	35.3	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	76%	0.76	S	S	*	*			trans	-66.7	144.2	150.1	-88.9	91.5	0	0	0	109.2
371	P	32.2	Very low	33.4	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	77%	0.767	S	S	*	*			trans	-93.8	112.8	138.9	12.9	5.9	0	0	0	108.5
372	S	28.4	Very low	31.9	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	77%	0.769	S	S	*	*			trans	-59.5	141.9	161.6	56.5	0	0	0	0	110.9
373	K	28.4	Very low	30.8	Very low	176 Å²	176	134.6 Å²	134.6	77%	0.765	78%	0.78	S	S	*	*			trans	-178	121.4	130.9	-100.9	-177.9	-176.3	-178.7	0	112.7
374	F	28.4	Very low	29.9	Very low	180 Å²	180	137 Å²	137	79%	0.789	79%	0.787	S	S	*	*			trans	58.9	144.3	149.5	-64	-73.1	0	0	0	119.2
375	S	25.3	Very low	29.5	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	78%	0.782	S	S	*	*			cis	-161.9	173.6	7.5	-128.1	0	0	0	0	110.8
376	S	26.8	Very low	29.3	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	78%	0.779	S	S	*	*			trans	-73.7	172.9	-163.6	51.2	0	0	0	0	120.8
377	S	26.9	Very low	29.6	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	78%	0.776	S	S	*	*			trans	97.2	135.6	158.5	74.9	0	0	0	0	115.7
378	S	29.3	Very low	28.8	Very low	114 Å²	114	127 Å²	127	80%	0.797	78%	0.777	S	S	*	*			cis	-164.6	154.4	13.1	26.7	0	0	0	0	110.5
379	L	27.1	Very low	28.4	Very low	156 Å²	156	126.9 Å²	126.9	82%	0.817	78%	0.781	S	S	*	*			trans	-82.5	161.5	166.9	-81.5	161.2	0	0	0	111.1
380	P	34.8	Very low	28.2	Very low	120 Å²	120	125 Å²	125	78%	0.779	78%	0.776	S	S	*	*				-140.5	138.2	87.6	26.5	-5.2	0	0	0	114.1
381	V	27.9	Very low	27.9	Very low	135 Å²	135	123.5 Å²	123.5	82%	0.818	77%	0.773	S	S	*	*				70.5	125.7	87.3	-179.1	0	0	0	0	117
382	G	23.8	Very low	27.6	Very low	65 Å²	65	122.2 Å²	122.2	67%	0.67	77%	0.767	S	S	*	*			trans	101.2	131.6	156.1	0	0	0	0	0	114.5
383	L	25.6	Very low	27.3	Very low	166 Å²	166	128.5 Å²	128.5	87%	0.869	78%	0.776	S	S	*	*			cis	-166.1	140.6	26.8	-99.7	127.7	0	0	0	111.6
384	S	25.4	Very low	27.2	Very low	103 Å²	103	127.9 Å²	127.9	72%	0.72	78%	0.779	S	S	*	*			trans	41	118.8	141.1	62.4	0	0	0	0	123.3
385	A	28.8	Very low	27	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	78%	0.782	S	S	*	*			trans	-72.3	170.7	140.6	0	0	0	0	0	110.2
386	P	37.2	Very low	27	Very low	122 Å²	122	131.9 Å²	131.9	79%	0.792	79%	0.786	S	S	*	*				-154.4	-155.3	81.8	48.4	-27	0	0	0	112.7
387	P	36.3	Very low	26.8	Very low	111 Å²	111	131.7 Å²	131.7	72%	0.721	78%	0.784	S	S	*	*				-125.1	179.4	-117.2	28.6	-3.1	0	0	0	113.5
388	C	21.6	Very low	26.7	Very low	132 Å²	132	134.3 Å²	134.3	89%	0.892	79%	0.788	S	S	*	*			trans	-172.8	119.1	139.3	-106	0	0	0	0	112.5
389	T	22.8	Very low	26.5	Very low	131 Å²	131	135.5 Å²	135.5	80%	0.804	79%	0.785	S	S	*	*			trans	-86.8	153.8	156.2	21.4	0	0	0	0	109.5
390	V	25.2	Very low	26.2	Very low	119 Å²	119	132.7 Å²	132.7	72%	0.721	78%	0.779	S	S	*	*				157.4	128.9	125	165.2	0	0	0	0	112.5
391	T	24.5	Very low	25.7	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	78%	0.779	S	S	*	*			trans	65	153.3	157.4	56.1	0	0	0	0	120
392	S	24	Very low	25.5	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	78%	0.779	S	S	*	*			cis	-174.3	141.4	-20.8	55.9	0	0	0	0	107
393	R	23.4	Very low	25.5	Very low	230 Å²	230	142 Å²	142	87%	0.868	79%	0.787	S	S	*	*			trans	50.7	104.4	135.5	-157.8	-174.8	-75.7	-150.5	1.2	118.3
394	I	25.9	Very low	25.3	Very low	162 Å²	162	143.3 Å²	143.3	83%	0.831	79%	0.789	S	S	*	*			trans	-131.1	117	141	-63.6	-178	0	0	0	108.8
395	K	24.7	Very low	25.2	Very low	193 Å²	193	147.9 Å²	147.9	84%	0.839	80%	0.799	S	S	*	*			trans	-94.7	135.2	160.4	-84.7	179.6	171.4	-177.3	0	107.3
396	Q	25.4	Very low	24.9	Very low	176 Å²	176	149 Å²	149	82%	0.822	80%	0.802	S	S	*	*			trans	-143.2	112.7	149.6	-85.9	176.8	-19.1	0	0	103.6
397	S	22.3	Very low	24.2	Very low	100 Å²	100	150.7 Å²	150.7	70%	0.699	80%	0.803	S	S	*	*				54.4	92.3	50.7	89.2	0	0	0	0	113.4
398	I	25.4	Very low	23.7	Very low	172 Å²	172	151.5 Å²	151.5	88%	0.882	81%	0.808	S	S	*	*			trans	-121.1	124.1	150.5	-66.1	-179.8	0	0	0	106.8
399	N	23.3	Very low	23.8	Very low	138 Å²	138	152.4 Å²	152.4	74%	0.738	80%	0.804	S	S	*	*			trans	-71.5	151.8	-174.3	-87.1	-21	0	0	0	113
400	S	20.8	Very low	23.9	Very low	98 Å²	98	153.5 Å²	153.5	69%	0.685	80%	0.804	S	S	*	*			trans	-61.7	146	156.4	57.1	0	0	0	0	112.4
401	H	25.1	Very low	23.9	Very low	171 Å²	171	154.7 Å²	154.7	79%	0.792	81%	0.805	S	S	*	*			trans	-128	117.8	145.8	-87.9	-79.7	0	0	0	109.3
402	K	23	Very low	24	Very low	187 Å²	187	155 Å²	155	81%	0.813	80%	0.801	S	S	*	*			trans	-95.8	134.7	159.8	-77.3	177.7	173	-180	0	105.5
403	D	23.8	Very low	24.2	Very low	156 Å²	156	158.6 Å²	158.6	83%	0.834	81%	0.813	S	S	*	*			trans	-126.7	119.5	157.1	-72	-44.4	0	0	0	108.4
404	Q	22.4	Very low	24.3	Very low	195 Å²	195	154.4 Å²	154.4	91%	0.911	81%	0.808	S	S	*	*			trans	-95.6	134.9	164.7	-88.4	174.2	-48.9	0	0	106.5
405	E	22.9	Very low	24.7	Very low	198 Å²	198	154.3 Å²	154.3	93%	0.925	81%	0.809	S	S	*	*			trans	-136.4	139.8	163.2	-144.4	170.5	-164.7	0	0	110.1
406	S	21.9	Very low	25	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	81%	0.805	S	S	*	*			trans	-99.2	163	-162.1	46.9	0	0	0	0	114
407	L	22.7	Very low	25.6	Very low	156 Å²	156	148.6 Å²	148.6	82%	0.817	79%	0.792	S	S	*	*			trans	-47.2	173.4	178.4	-69	155	0	0	0	117.5
408	P	27.5	Very low	26.4	Very low	129 Å²	129	152.4 Å²	152.4	84%	0.838	80%	0.798	S	S	*	*				-135.7	153.6	105.8	29.4	-13.2	0	0	0	117.1
409	D	23.6	Very low	26.9	Very low	150 Å²	150	151.5 Å²	151.5	80%	0.802	80%	0.795	S	S	*	*			trans	-58.4	148	173.3	-89.7	-40.2	0	0	0	115.8
410	I	24.3	Very low	27.9	Very low	155 Å²	155	147.6 Å²	147.6	80%	0.795	77%	0.774	S	S	*	*			trans	-150.8	112.6	139.5	-64.8	-166.6	0	0	0	111.4
411	L	25.9	Very low	28.8	Very low	143 Å²	143	148.5 Å²	148.5	75%	0.749	77%	0.765	S	S	*	*			trans	52.5	114.3	139	-56	171.2	0	0	0	124.2
412	L	26.5	Very low	29.5	Very low	135 Å²	135	146.1 Å²	146.1	71%	0.707	76%	0.758	S	S	*	*				43.4	124.2	125.4	-61	171.1	0	0	0	121.6
413	D	26.9	Very low	30.5	Very low	170 Å²	170	142 Å²	142	91%	0.909	74%	0.742	S	S	*	*				-159.2	129.4	110.4	-99.7	-23.3	0	0	0	111.7
414	D	27	Very low	31.4	Very low	143 Å²	143	142 Å²	142	77%	0.765	73%	0.73	S	S	*	*			trans	-88.4	120	173.9	-81.6	-46	0	0	0	109.3
415	D	32.8	Very low	32.3	Very low	160 Å²	160	140 Å²	140	86%	0.856	72%	0.718	S	S	*	*			trans	177.9	104.4	144.2	-99.8	-26.9	0	0	0	109.1
416	I	32.2	Very low	33.1	Very low	147 Å²	147	139 Å²	139	75%	0.754	71%	0.707	S	S	*	*			trans	167.8	76.5	153.4	-80.4	148	0	0	0	105.5
417	D	38.5	Very low	33.9	Very low	101 Å²	101	139.2 Å²	139.2	54%	0.54	69%	0.694	S	S	.	*			trans	-130.9	25.9	-178.7	-154.5	33.9	0	0	0	115.8	K421	D417-K421 PolarHBondContact O-NZ 3.4Å; D417-K421 IonicContact OD1-NZ 3.55Å; D417-K421 IonicContact OD2-NZ 2.79Å; D417-K421 PolarHBondContact OD2-NZ 2.88Å
418	Q	38.5	Very low	34.6	Very low	180 Å²	180	139 Å²	139	84%	0.841	69%	0.686	S	S	*	*	S	Bend	trans	-127.5	-9.3	172	-80.1	-175.3	-1.3	0	0	116.8
419	L	34.8	Very low	34.8	Very low	154 Å²	154	142.5 Å²	142.5	81%	0.806	68%	0.683	S	S	*	*	S	Bend	trans	-95.5	-10.3	172.2	-76.9	160.8	0	0	0	113.7
420	D	44.4	Very low	35.2	Very low	55 Å²	55	141.8 Å²	141.8	29%	0.294	67%	0.673	S	S	.	*	H	α-helix	trans	-94.8	-10	-170	-130.9	34.5	0	0	0	114.1	R424	D420-R424 WeakPolarHBondContact O-CB 3.29Å; D420-R424 VanDerWaalsContact O-CD 3.26Å; D420-R424 WeakPolarHBondContact O-CD 3.5Å; D420-R424 WeakPolarHBondContact O-CG 3.48Å; D420-R424 PolarHBondContact O-N 3.49Å; D420-R424 IonicContact OD2-CZ 2.66Å; D420-R424 IonicContact OD2-NE 3.28Å; D420-R424 PolarHBondContact OD2-NE 3.47Å; D420-R424 IonicContact OD2-NH2 2.8Å; D420-R424 PolarHBondContact OD2-NH2 2.97Å
421	K	40.7	Very low	35.6	Very low	118 Å²	118	141.5 Å²	141.5	51%	0.513	67%	0.668	S	S	.	*	H	α-helix	trans	-85.3	-30.7	-176.9	-75.4	169.2	-176.2	133.7	0	113.2	D417 K425	D417-K421 PolarHBondContact O-NZ 3.4Å; D417-K421 IonicContact OD1-NZ 3.55Å; D417-K421 IonicContact OD2-NZ 2.79Å; D417-K421 PolarHBondContact OD2-NZ 2.88Å; K421-K425 PolarHBondContact O-N 3.12Å
422	D	38.7	Very low	35.8	Very low	121 Å²	121	145.5 Å²	145.5	65%	0.647	67%	0.673	S	S	*	*	H	α-helix	trans	-84.5	-32.6	178.5	-74.2	-25.3	0	0	0	112.8	K425 Y426	D422-K425 PolarHBondContact O-N 3.45Å; D422-Y426 PolarHBondContact O-N 3.02Å
423	E	45.5	Very low	36	Very low	101 Å²	101	148.4 Å²	148.4	47%	0.472	68%	0.68	S	S	.	*	H	α-helix	trans	-69.2	-36.8	173.1	-138	-161.4	135.8	0	0	111.7	Y426 K427	E423-Y426 PolarHBondContact O-N 3.31Å; E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 PolarHBondContact O-N 3.15Å; E423-K427 WeakPolarHBondContact OE1-CE 3.34Å; E423-K427 IonicContact OE1-NZ 3.7Å; E423-K427 PolarHBondContact OE1-NZ 3.41Å
424	R	42.5	Very low	36.3	Very low	155 Å²	155	145.7 Å²	145.7	59%	0.585	66%	0.662	S	S	*	*	H	α-helix	trans	-66.9	-33	172.8	-74	174.9	-165.8	-163.7	4.7	112.6	D420 K428	D420-R424 WeakPolarHBondContact O-CB 3.29Å; D420-R424 VanDerWaalsContact O-CD 3.26Å; D420-R424 WeakPolarHBondContact O-CD 3.5Å; D420-R424 WeakPolarHBondContact O-CG 3.48Å; D420-R424 PolarHBondContact O-N 3.49Å; D420-R424 IonicContact OD2-CZ 2.66Å; D420-R424 IonicContact OD2-NE 3.28Å; D420-R424 PolarHBondContact OD2-NE 3.47Å; D420-R424 IonicContact OD2-NH2 2.8Å; D420-R424 PolarHBondContact OD2-NH2 2.97Å; R424-K428 VanDerWaalsContact O-CB 3.28Å; R424-K428 WeakPolarHBondContact O-CB 3.46Å; R424-K428 WeakPolarHBondContact O-CG 3.21Å; R424-K428 PolarHBondContact O-N 3.02Å
425	K	41	Very low	36.5	Very low	152 Å²	152	148 Å²	148	66%	0.661	67%	0.665	S	S	*	*	H	α-helix	trans	-72.6	-36.3	173.7	-101.4	178.5	179.9	171.1	0	112.3	K421 D422 R429	K421-K425 PolarHBondContact O-N 3.12Å; D422-K425 PolarHBondContact O-N 3.45Å; K425-R429 WeakPolarHBondContact O-CB 3.22Å; K425-R429 PolarHBondContact O-N 2.9Å
426	Y	38.6	Very low	36.5	Very low	177 Å²	177	147.2 Å²	147.2	69%	0.694	66%	0.656	S	S	*	*	H	α-helix	trans	-70.6	-43.4	175	-160.2	-94	0	0	0	111.7	D422 E423 R429 K430	D422-Y426 PolarHBondContact O-N 3.02Å; E423-Y426 PolarHBondContact O-N 3.31Å; Y426-R429 PolarHBondContact O-N 3.17Å; Y426-K430 PolarHBondContact O-N 2.7Å
427	K	38.6	Very low	36.8	Very low	122 Å²	122	148.3 Å²	148.3	53%	0.53	65%	0.651	S	S	.	*	H	α-helix	trans	-63.6	-39.7	172.7	-79.2	171.9	172.4	154.8	0	112.5	E423 K430 Q431	E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 PolarHBondContact O-N 3.15Å; E423-K427 WeakPolarHBondContact OE1-CE 3.34Å; E423-K427 IonicContact OE1-NZ 3.7Å; E423-K427 PolarHBondContact OE1-NZ 3.41Å; K427-K430 PolarHBondContact O-N 3.42Å; K427-Q431 WeakPolarHBondContact O-CB 3.25Å; K427-Q431 PolarHBondContact O-N 3.43Å
428	K	37.4	Very low	36.6	Very low	150 Å²	150	150.4 Å²	150.4	65%	0.652	66%	0.657	S	S	*	*	H	α-helix	trans	-67.6	-32.5	172.9	-85.8	-178.6	174.4	176.2	0	113.6	R424 R432	R424-K428 VanDerWaalsContact O-CB 3.28Å; R424-K428 WeakPolarHBondContact O-CB 3.46Å; R424-K428 WeakPolarHBondContact O-CG 3.21Å; R424-K428 PolarHBondContact O-N 3.02Å; K428-R432 WeakPolarHBondContact O-CB 3.48Å; K428-R432 PolarHBondContact O-N 3.31Å
429	R	32.9	Very low	36.2	Very low	203 Å²	203	144.9 Å²	144.9	77%	0.766	63%	0.63	S	S	*	*	H	α-helix	trans	-74.6	-31.3	174.2	-94.9	178.9	161.6	172.3	-4.9	112.8	K425 Y426	K425-R429 WeakPolarHBondContact O-CB 3.22Å; K425-R429 PolarHBondContact O-N 2.9Å; Y426-R429 PolarHBondContact O-N 3.17Å
430	K	32.1	Very low	36.2	Very low	136 Å²	136	140.1 Å²	140.1	59%	0.591	61%	0.61	S	S	*	*	H	α-helix	trans	-74.4	-43.1	172.9	-156.9	174.5	179.5	-177.5	0	111.6	Y426 K427 R432 K433 E434	Y426-K430 PolarHBondContact O-N 2.7Å; K427-K430 PolarHBondContact O-N 3.42Å; K430-R432 VanDerWaalsContact C-N 3.33Å; K430-R432 PolarHBondContact O-N 3.31Å; K430-K433 PolarHBondContact O-N 3.49Å; K430-K433 VanDerWaalsContact O-N 3.09Å; K430-E434 PolarHBondContact O-N 3.49Å
431	Q	32.7	Very low	35.7	Very low	148 Å²	148	140.7 Å²	140.7	69%	0.692	61%	0.613	S	S	*	*	H	α-helix	trans	-64.5	-29.3	172.2	-86.2	-178.2	-15.4	0	0	114	K427 K433	K427-Q431 WeakPolarHBondContact O-CB 3.25Å; K427-Q431 PolarHBondContact O-N 3.43Å; Q431-K433 VanDerWaalsContact C-N 3.3Å; Q431-K433 PolarHBondContact O-N 3.21Å
432	R	30.3	Very low	35.5	Very low	227 Å²	227	136.3 Å²	136.3	86%	0.857	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-15.4	173.2	-96.4	-178.8	158.9	179.5	-5.9	114.1	K428 K430	K428-R432 WeakPolarHBondContact O-CB 3.48Å; K428-R432 PolarHBondContact O-N 3.31Å; K430-R432 VanDerWaalsContact C-N 3.33Å; K430-R432 PolarHBondContact O-N 3.31Å
433	K	30.3	Very low	35.7	Very low	197 Å²	197	134 Å²	134	86%	0.857	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-21	175.2	-84.5	-174	173.9	-176.8	0	113.7	K430 Q431	K430-K433 PolarHBondContact O-N 3.49Å; K430-K433 VanDerWaalsContact O-N 3.09Å; Q431-K433 VanDerWaalsContact C-N 3.3Å; Q431-K433 PolarHBondContact O-N 3.21Å
434	E	32.8	Very low	35.4	Very low	113 Å²	113	131.7 Å²	131.7	53%	0.528	57%	0.57	S	S	.	*			trans	-98.7	71.3	164.6	-81.1	175.5	142.8	0	0	110.1	K430 H436	K430-E434 PolarHBondContact O-N 3.49Å; E434-H436 PolarHBondContact O-N 3.16Å
435	K	30.7	Very low	35.2	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	57%	0.574	S	S	*	*			trans	-67.9	92.8	155.8	-162.1	-179.8	-173.3	-175.2	0	105.1	R437	K435-R437 VanDerWaalsContact C-N 3.3Å; K435-R437 PolarHBondContact O-N 3.47Å
436	H	32.8	Very low	35	Very low	145 Å²	145	129.4 Å²	129.4	67%	0.671	56%	0.562	S	S	*	*			trans	-55.8	100.3	173.8	-83.5	-62.5	0	0	0	107.8	E434 H438	E434-H436 PolarHBondContact O-N 3.16Å; H436-H438 PolarHBondContact O-N 2.72Å
437	R	38	Very low	34.6	Very low	170 Å²	170	129.4 Å²	129.4	64%	0.642	57%	0.569	S	S	*	*			trans	-61	117.4	167.9	-80.4	-167.5	-174.1	179.5	0.2	106.9	Y151 K435 D441	Y151-R437 HydrophobicContact CE2-CB 3.78Å; K435-R437 VanDerWaalsContact C-N 3.3Å; K435-R437 PolarHBondContact O-N 3.47Å; R437-D441 WeakPolarHBondContact CA-OD2 3.38Å; R437-D441 HydrophobicContact CB-CB 4.36Å; R437-D441 WeakPolarHBondContact CB-OD2 3.37Å; R437-D441 WeakPolarHBondContact CG-OD2 3.5Å
438	H	35.7	Very low	34.1	Very low	145 Å²	145	132 Å²	132	67%	0.671	58%	0.583	S	S	*	*			trans	-72.9	164.4	-172.6	-98.3	-89.6	0	0	0	110.5	H436 S440 D441	H436-H438 PolarHBondContact O-N 2.72Å; H438-S440 VanDerWaalsContact CB-OG 3.29Å; H438-S440 WeakPolarHBondContact CB-OG 3.45Å; H438-S440 PolarHBondContact O-N 3.38Å; H438-D441 WeakPolarHBondContact O-CB 3.26Å; H438-D441 PolarHBondContact O-N 3.27Å
439	F	30.4	Very low	33.5	Very low	64 Å²	64	130 Å²	130	28%	0.281	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-46.4	-26.3	170	-178.9	-104.4	0	0	0	113.5	I96 A155 D441 L442 W443	I96-F439 HydrophobicContact CG2-CD1 4.24Å; A155-F439 VanDerWaalsContact O-CD2 3.24Å; A155-F439 WeakPolarHBondContact O-CD2 3.13Å; F439-D441 PolarHBondContact O-N 2.73Å; F439-D441 VanDerWaalsContact O-N 3.14Å; F439-L442 PolarHBondContact O-N 2.87Å; F439-W443 AromaticContact CD1-NE1 3.78Å; F439-W443 HydrophobicContact CE1-CZ2 4.1Å; F439-W443 AromaticContact CE1-NE1 3.53Å; F439-W443 HydrophobicContact CZ-CZ2 4.38Å; F439-W443 VanDerWaalsContact O-CD1 3.29Å
440	S	34.8	Very low	33.3	Very low	53 Å²	53	125.8 Å²	125.8	37%	0.371	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-52.2	-26	170	53.6	0	0	0	0	114.6	H438 L442 W443	H438-S440 VanDerWaalsContact CB-OG 3.29Å; H438-S440 WeakPolarHBondContact CB-OG 3.45Å; H438-S440 PolarHBondContact O-N 3.38Å; S440-L442 PolarHBondContact O-N 2.95Å; S440-W443 WeakPolarHBondContact O-CB 3.4Å; S440-W443 PolarHBondContact O-N 3.37Å
441	D	34	Very low	33	Very low	68 Å²	68	124.8 Å²	124.8	36%	0.364	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-88.2	-5.1	-168.5	-63.6	3.1	0	0	0	112.9	Y151 R437 H438 F439	Y151-D441 WeakPolarHBondContact OH-CB 3.28Å; R437-D441 WeakPolarHBondContact CA-OD2 3.38Å; R437-D441 HydrophobicContact CB-CB 4.36Å; R437-D441 WeakPolarHBondContact CB-OD2 3.37Å; R437-D441 WeakPolarHBondContact CG-OD2 3.5Å; H438-D441 WeakPolarHBondContact O-CB 3.26Å; H438-D441 PolarHBondContact O-N 3.27Å; F439-D441 PolarHBondContact O-N 2.73Å; F439-D441 VanDerWaalsContact O-N 3.14Å
442	L	35.2	Very low	33	Very low	26 Å²	26	125.7 Å²	125.7	14%	0.136	60%	0.604	C	S	.	*	G	3₁₀ helix	trans	-82.3	-19	164.1	-71.3	177.7	0	0	0	112.5	L152 A155 I156 F439 S440 V444	L152-L442 HydrophobicContact CD1-CD2 3.47Å; L152-L442 VanDerWaalsContact CD1-CD2 3.47Å; A155-L442 HydrophobicContact CB-CD1 3.36Å; A155-L442 HydrophobicContact CB-CD2 3.94Å; A155-L442 HydrophobicContact CB-CG 3.6Å; I156-L442 HydrophobicContact CG1-CD1 3.8Å; F439-L442 PolarHBondContact O-N 2.87Å; S440-L442 PolarHBondContact O-N 2.95Å; L442-V444 PolarHBondContact O-N 3.02Å
443	W	43.4	Very low	32.8	Very low	72 Å²	72	120.8 Å²	120.8	27%	0.273	60%	0.6	S	S	.	*	S	Bend	trans	-83.3	95.7	171	-51.6	92.6	0	0	0	106.4	L190 F439 S440 R445	L190-W443 HydrophobicContact CD2-CB 4.05Å; L190-W443 HydrophobicContact CD2-CD2 4.42Å; L190-W443 HydrophobicContact CD2-CE3 3.63Å; L190-W443 HydrophobicContact CD2-CZ3 4.46Å; F439-W443 AromaticContact CD1-NE1 3.78Å; F439-W443 HydrophobicContact CE1-CZ2 4.1Å; F439-W443 AromaticContact CE1-NE1 3.53Å; F439-W443 HydrophobicContact CZ-CZ2 4.38Å; F439-W443 VanDerWaalsContact O-CD1 3.29Å; S440-W443 WeakPolarHBondContact O-CB 3.4Å; S440-W443 PolarHBondContact O-N 3.37Å; W443-R445 VanDerWaalsContact C-N 3.34Å; W443-R445 PolarHBondContact O-N 3.3Å
444	V	40.3	Very low	32.6	Very low	53 Å²	53	117.5 Å²	117.5	32%	0.321	60%	0.597	S	S	.	*			trans	-63.1	100.3	179.8	176.2	0	0	0	0	107.8	G184 P186 Q194 L442 I446	G184-V444 WeakPolarHBondContact O-CG2 3.41Å; P186-V444 HydrophobicContact CG-CB 4.08Å; P186-V444 HydrophobicContact CG-CG1 4.44Å; Q194-V444 PolarHBondContact NE2-O 3.04Å; Q194-V444 PolarHBondContact OE1-O 3.09Å; L442-V444 PolarHBondContact O-N 3.02Å; V444-I446 PolarHBondContact O-N 2.91Å
445	R	36.6	Very low	32.4	Very low	176 Å²	176	117.4 Å²	117.4	66%	0.664	61%	0.606	S	S	*	*			trans	-62.4	122.6	157.8	-74.7	-176.8	171.8	176.2	-4.2	106	W443 Q447	W443-R445 VanDerWaalsContact C-N 3.34Å; W443-R445 PolarHBondContact O-N 3.3Å; R445-Q447 VanDerWaalsContact C-N 3.29Å; R445-Q447 PolarHBondContact O-N 3.49Å
446	I	37.9	Very low	32.2	Very low	83 Å²	83	116.4 Å²	116.4	43%	0.426	60%	0.604	S	S	.	*			trans	-57.8	101.8	164.9	-64.6	166.4	0	0	0	105.4	Y191 Q194 V444 E448	Y191-I446 HydrophobicContact CD2-CD1 4.06Å; Y191-I446 HydrophobicContact CE2-CD1 4.12Å; Q194-I446 HydrophobicContact CB-CD1 4.46Å; V444-I446 PolarHBondContact O-N 2.91Å; I446-E448 PolarHBondContact O-N 3.48Å
447	Q	29	Very low	32.1	Very low	177 Å²	177	115.6 Å²	115.6	83%	0.827	60%	0.603	S	S	*	*			trans	-63.6	128.1	175	-94.2	178.1	-32.2	0	0	108.2	R445 S449	R445-Q447 VanDerWaalsContact C-N 3.29Å; R445-Q447 PolarHBondContact O-N 3.49Å; Q447-S449 PolarHBondContact O-N 3.06Å
448	E	28.7	Very low	31.6	Very low	176 Å²	176	117.4 Å²	117.4	82%	0.822	61%	0.61	S	S	*	*			trans	-60.2	100.3	160.7	-78.6	179.9	150.8	0	0	107.8	I446 S450	I446-E448 PolarHBondContact O-N 3.48Å; E448-S450 VanDerWaalsContact C-N 3.26Å; E448-S450 PolarHBondContact O-N 2.79Å
449	S	24.8	Very low	31.4	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	61%	0.611	S	S	*	*			trans	-68.5	93.8	160.9	59.5	0	0	0	0	107.1	Q447 T451	Q447-S449 PolarHBondContact O-N 3.06Å; S449-T451 VanDerWaalsContact C-N 3.26Å; S449-T451 PolarHBondContact O-N 3.45Å
450	S	29.1	Very low	31.4	Very low	115 Å²	115	119.6 Å²	119.6	80%	0.804	63%	0.627	S	S	*	*			trans	-66.6	87	167.6	56.5	0	0	0	0	109.5	E448	E448-S450 VanDerWaalsContact C-N 3.26Å; E448-S450 PolarHBondContact O-N 2.79Å
451	T	26.2	Very low	31.1	Very low	116 Å²	116	124 Å²	124	71%	0.712	65%	0.647	S	S	*	*			trans	-151.8	109.4	148.6	44.8	0	0	0	0	107.4	S449 T453	S449-T451 VanDerWaalsContact C-N 3.26Å; S449-T451 PolarHBondContact O-N 3.45Å; T451-T453 PolarHBondContact O-N 3.29Å; T451-T453 VanDerWaalsContact O-N 3.13Å
452	D	33.3	Very low	31.1	Very low	166 Å²	166	124.1 Å²	124.1	89%	0.888	66%	0.663	S	S	*	*			trans	-49.9	113.5	161.3	-99.5	-38.1	0	0	0	109.3
453	T	25.7	Very low	30.7	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	69%	0.692	S	S	*	*			trans	167	123.3	139.3	31.6	0	0	0	0	108.2	T451 P455	T451-T453 PolarHBondContact O-N 3.29Å; T451-T453 VanDerWaalsContact O-N 3.13Å; T453-P455 WeakPolarHBondContact O-CD 3.35Å
454	T	26.1	Very low	30.2	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	72%	0.716	S	S	*	*			trans	-56.6	121.4	170	42.7	0	0	0	0	110	Q456	T454-Q456 PolarHBondContact O-N 3.36Å
455	P	27.2	Very low	29.7	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	74%	0.736	S	S	*	*			trans	-69.9	120.1	173	25.9	-29.4	0	0	0	109	T453 I457	T453-P455 WeakPolarHBondContact O-CD 3.35Å; P455-I457 PolarHBondContact O-N 2.98Å
456	Q	27.2	Very low	29.6	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	74%	0.742	S	S	*	*			trans	-67.3	99.1	171.3	-79.1	-85.5	-23.7	0	0	108.9	T454 R458	T454-Q456 PolarHBondContact O-N 3.36Å; Q456-R458 PolarHBondContact O-N 3.31Å
457	I	29.7	Very low	29.2	Very low	128 Å²	128	141.1 Å²	141.1	66%	0.656	76%	0.761	S	S	*	*			trans	-79.9	110.5	173.3	-57.7	172.8	0	0	0	107.7	P455 I459	P455-I457 PolarHBondContact O-N 2.98Å; I457-I459 HydrophobicContact CG2-CG1 4.24Å
458	R	28.1	Very low	29.2	Very low	208 Å²	208	138.6 Å²	138.6	79%	0.785	76%	0.76	S	S	*	*			trans	-101.4	120.9	164	-80.4	-172.7	179.8	-171.1	1.1	109.4	Q456	Q456-R458 PolarHBondContact O-N 3.31Å
459	I	31.6	Very low	29.2	Very low	134 Å²	134	138.8 Å²	138.8	69%	0.687	76%	0.76	S	S	*	*			trans	-91.5	117.7	172.6	-58.4	173.8	0	0	0	107.6	I457	I457-I459 HydrophobicContact CG2-CG1 4.24Å
460	I	30.5	Very low	29.5	Very low	121 Å²	121	139 Å²	139	62%	0.621	76%	0.759	S	S	*	*	B	Isolated β-bridge	trans	-128.6	125.5	165.4	-57	178.2	0	0	0	107.3	G462	I460-G462 PolarHBondContact O-N 2.93Å
461	N	28.3	Very low	29.5	Very low	147 Å²	147	145.1 Å²	145.1	79%	0.786	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.8	41.7	174.7	-66.6	-8	0	0	0	116.5	Y463	N461-Y463 VanDerWaalsContact C-N 3.29Å; N461-Y463 WeakPolarHBondContact O-CD2 3.46Å; N461-Y463 PolarHBondContact O-N 2.86Å
462	G	35	Very low	29.6	Very low	69 Å²	69	149 Å²	149	71%	0.711	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.9	11.6	161	0	0	0	0	0	116.7	I460	I460-G462 PolarHBondContact O-N 2.93Å
463	Y	26.5	Very low	29.4	Very low	189 Å²	189	149.8 Å²	149.8	74%	0.741	77%	0.773	S	S	*	*	B	Isolated β-bridge	trans	-121.2	132.8	170.7	-63.4	-81.3	0	0	0	110.2	N461 T465	N461-Y463 VanDerWaalsContact C-N 3.29Å; N461-Y463 WeakPolarHBondContact O-CD2 3.46Å; N461-Y463 PolarHBondContact O-N 2.86Å; Y463-T465 PolarHBondContact O-N 3.26Å
464	I	33.1	Very low	29.5	Very low	150 Å²	150	147.7 Å²	147.7	77%	0.769	78%	0.776	S	S	*	*			trans	-84	103.6	170.9	-60	172	0	0	0	106.7
465	T	29.8	Very low	29.6	Very low	123 Å²	123	150.5 Å²	150.5	76%	0.755	78%	0.777	S	S	*	*			trans	-97.3	123.3	171.2	50.9	0	0	0	0	109.8	Y463	Y463-T465 PolarHBondContact O-N 3.26Å
466	V	33.8	Very low	29.7	Very low	129 Å²	129	153.2 Å²	153.2	78%	0.782	79%	0.785	S	S	*	*			trans	-97.6	115.9	168.4	-177.9	0	0	0	0	106.9
467	E	29.1	Very low	29.8	Very low	176 Å²	176	154.1 Å²	154.1	82%	0.822	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.1	131.1	171.9	-91.7	-175.2	155.5	0	0	110	H469	E467-H469 PolarHBondContact O-N 3.01Å
468	P	29.4	Very low	29.6	Very low	124 Å²	124	158.3 Å²	158.3	81%	0.805	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-74.4	121.5	169.5	27.9	-28.9	0	0	0	109.8
469	H	28.5	Very low	29.7	Very low	180 Å²	180	154.9 Å²	154.9	83%	0.833	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.2	173.1	-126.9	30.8	0	0	0	110.9	E467	E467-H469 PolarHBondContact O-N 3.01Å
470	P	31.6	Very low	29.5	Very low	111 Å²	111	158 Å²	158	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.2	130.5	-174.9	23.6	-22.3	0	0	0	111.4
471	R	28.6	Very low	29.2	Very low	244 Å²	244	157.2 Å²	157.2	92%	0.921	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.7	122.7	171.6	-80	-178	174.4	173.2	-1.4	110.2
472	E	27.9	Very low	29.2	Very low	197 Å²	197	154.8 Å²	154.8	92%	0.921	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.5	145.3	172.6	-72.9	-175.6	146.5	0	0	112.7
473	H	29.7	Very low	28.8	Very low	184 Å²	184	160.9 Å²	160.9	85%	0.852	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70.7	132.1	-178	-80.6	0.8	0	0	0	113.8
474	G	28	Very low	28.8	Very low	81 Å²	81	157 Å²	157	84%	0.835	82%	0.823	S	S	*	*			trans	-115.9	114.2	153.9	0	0	0	0	0	109.5
475	K	28.7	Very low	28.5	Very low	187 Å²	187	156.7 Å²	156.7	81%	0.813	83%	0.828	S	S	*	*			trans	-73.6	140.2	177.4	-68.4	170.3	177.3	169.1	0	110.2
476	D	28.4	Very low	28.3	Very low	167 Å²	167	155.5 Å²	155.5	89%	0.893	82%	0.824	S	S	*	*				-162.6	143.7	122.4	-97	-25.6	0	0	0	113.5
477	K	28.7	Very low	27.9	Very low	188 Å²	188	158.7 Å²	158.7	82%	0.817	83%	0.828	S	S	*	*			trans	-87	154.2	-169.7	-68.2	168.1	171.9	174.4	0	111.2
478	Y	26.8	Very low	27.9	Very low	215 Å²	215	154.6 Å²	154.6	84%	0.843	82%	0.819	S	S	*	*				-172	109.8	121.7	-103.5	-80.8	0	0	0	112
479	I	28.9	Very low	27.9	Very low	136 Å²	136	156.7 Å²	156.7	70%	0.697	82%	0.822	S	S	*	*			trans	57.6	107.8	137.8	-54.2	-177.2	0	0	0	123.1
480	K	27.7	Very low	27.9	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	82%	0.816	S	S	*	*			trans	22.4	130.7	131.9	-62.6	-179.4	176.5	179.8	0	121.6
481	A	25.6	Very low	28.2	Very low	105 Å²	105	155.2 Å²	155.2	87%	0.868	82%	0.821	S	S	*	*				-159.6	139.1	111.7	0	0	0	0	0	110.6
482	A	28.4	Very low	28.7	Very low	95 Å²	95	149.2 Å²	149.2	79%	0.785	81%	0.813	S	S	*	*			trans	-86.6	152	-176.5	0	0	0	0	0	111.9
483	Q	25.9	Very low	29.3	Very low	198 Å²	198	144.9 Å²	144.9	93%	0.925	80%	0.804	S	S	*	*				-173.2	140.7	125	-101.4	168.3	7.5	0	0	112
484	S	26.5	Very low	29.6	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	80%	0.795	S	S	*	*			trans	-71.8	135	179.3	47.9	0	0	0	0	113.4
485	V	25.8	Very low	30.2	Very low	144 Å²	144	145.7 Å²	145.7	87%	0.873	80%	0.798	S	S	*	*			trans	-148.7	117.2	144.6	-175.9	0	0	0	0	108.7
486	S	26.6	Very low	30.7	Very low	97 Å²	97	143.7 Å²	143.7	68%	0.678	80%	0.795	S	S	*	*			trans	-78.7	136.1	162.2	24.4	0	0	0	0	109.5
487	F	26	Very low	31.1	Very low	196 Å²	196	142.3 Å²	142.3	86%	0.86	79%	0.787	S	S	*	*			trans	176.4	129.7	134.8	-101.7	-75.1	0	0	0	111.3
488	S	28	Very low	31.5	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	78%	0.784	S	S	*	*			trans	10.3	130	151.5	57.3	0	0	0	0	120.8
489	L	29.3	Very low	32.1	Very low	167 Å²	167	133.1 Å²	133.1	87%	0.874	77%	0.77	S	S	*	*			trans	-148.5	105.9	144.9	-121.2	84.8	0	0	0	108
490	S	29.7	Very low	32.5	Very low	100 Å²	100	136.9 Å²	136.9	70%	0.699	78%	0.776	S	S	*	*				73.3	101.5	88.3	-52	0	0	0	0	113.7
491	I	37.8	Very low	32.9	Very low	161 Å²	161	131.9 Å²	131.9	83%	0.826	77%	0.765	S	S	*	*			trans	-68.3	131.3	165.7	-61.8	166.4	0	0	0	108.6	S493	I491-S493 PolarHBondContact O-N 3.13Å
492	P	38.8	Very low	33.4	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	76%	0.762	S	S	*	*			trans	-81.8	113.5	167.3	-6.8	24.8	0	0	0	110.4	A494	P492-A494 PolarHBondContact O-N 3.38Å; P492-A494 VanDerWaalsContact O-N 3.13Å
493	S	40.3	Very low	33.9	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	76%	0.76	S	S	*	*			trans	-55.9	94.9	163.8	27.6	0	0	0	0	112.3	I491	I491-S493 PolarHBondContact O-N 3.13Å
494	A	36.4	Very low	34.5	Very low	80 Å²	80	137.5 Å²	137.5	66%	0.661	75%	0.754	S	S	*	*			trans	-121.1	-1.3	162.2	0	0	0	0	0	113.5	P492	P492-A494 PolarHBondContact O-N 3.38Å; P492-A494 VanDerWaalsContact O-N 3.13Å
495	F	40.5	Very low	35.3	Very low	203 Å²	203	138.7 Å²	138.7	89%	0.89	76%	0.757	S	S	*	*	S	Bend	trans	-94.2	1	-178.5	-98	-83.6	0	0	0	115
496	L	38.8	Very low	36	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	75%	0.752	S	S	*	*	S	Bend	trans	-111.6	8.5	-177.9	-78.4	168.7	0	0	0	115.1
497	L	36.3	Very low	36.9	Very low	139 Å²	139	137.4 Å²	137.4	73%	0.728	76%	0.755	S	S	*	*	S	Bend	trans	-100.2	-10.3	177.5	-88.6	160.6	0	0	0	114.9
498	L	36.5	Very low	37.6	Very low	141 Å²	141	135.8 Å²	135.8	74%	0.738	75%	0.754	S	S	*	*	S	Bend	trans	-94.7	-16.2	176.6	-83.1	160.6	0	0	0	114
499	A	39.5	Very low	38.1	Very low	68 Å²	68	144.4 Å²	144.4	56%	0.562	78%	0.784	S	S	*	*	S	Bend	trans	-82.5	-12.2	178	0	0	0	0	0	113.7
500	W	37	Very low	38.5	Very low	216 Å²	216	143.3 Å²	143.3	82%	0.818	78%	0.78	S	S	*	*	S	Bend	trans	-102	-10.7	-179.3	-116.4	51.4	0	0	0	114.7
501	C	37	Very low	39	Very low	95 Å²	95	145.5 Å²	145.5	64%	0.642	78%	0.784	S	S	*	*	S	Bend	trans	-87.8	-14.9	175.8	-85.6	0	0	0	0	114.4
502	F	36.1	Very low	39	Very low	183 Å²	183	144.7 Å²	144.7	80%	0.803	78%	0.782	S	S	*	*	S	Bend	trans	-90.9	-3.2	179.8	-97	-81	0	0	0	114.7
503	Q	38.2	Very low	39.1	Very low	160 Å²	160	146.2 Å²	146.2	75%	0.748	78%	0.782	S	S	*	*	S	Bend	trans	-103.7	7.4	-177.9	-136.8	171.1	-11.8	0	0	114.5
504	Q	40	Very low	39	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.804	79%	0.785	S	S	*	*	S	Bend	trans	-118.2	3.6	175.2	-80	-155.1	-6.8	0	0	116.3
505	V	42.8	Very low	39.1	Very low	132 Å²	132	153.4 Å²	153.4	80%	0.8	79%	0.794	S	S	*	*	S	Bend	trans	-104.1	-1	174.4	-175	0	0	0	0	113.1
506	A	40.9	Very low	39	Very low	92 Å²	92	149.9 Å²	149.9	76%	0.76	79%	0.787	S	S	*	*	S	Bend	trans	-99.1	19.2	175.6	0	0	0	0	0	114.3
507	V	44.8	Very low	39.1	Very low	123 Å²	123	150.3 Å²	150.3	75%	0.745	79%	0.789	S	S	*	*	S	Bend	trans	-136.2	74.4	168.2	-174.5	0	0	0	0	108.5
508	L	41.3	Very low	39.3	Very low	162 Å²	162	151.3 Å²	151.3	85%	0.848	80%	0.795	S	S	*	*			trans	176.4	111.2	142.6	-94.9	155.8	0	0	0	108.4
509	Q	37.6	Very low	39.6	Very low	271 Å²	271	152.2 Å²	152.2	100%	1.266	80%	0.8	S	S	*	*			trans	88.2	0	178.1	-62.5	-172.5	-27.9	0	0	117.5

Retrieved 509 of 509 residues in 697.8 ms (Link to these results)

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