A0A5K4EXT5_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EXT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 516 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	61.4	Low	248 Å²	248	119.7 Å²	119.7	100%	1.222	64%	0.636	S	S	*	*				0	103	0	-73	179	176.8	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 2.94Å
2	T	44	Very low	62	Low	145 Å²	145	115 Å²	115	89%	0.89	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.1	-178.7	38.5	0	0	0	0	110.1
3	S	55.5	Low	61.7	Low	116 Å²	116	115.1 Å²	115.1	81%	0.811	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-65.9	129.3	176.8	51.7	0	0	0	0	110.1	M1	M1-S3 PolarHBondContact O-N 2.94Å
4	K	59.7	Low	61.1	Low	141 Å²	141	119.7 Å²	119.7	61%	0.613	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-69.9	134	172.7	-78.8	-172.5	175.7	-174.1	0	109.5	D8 D12	K4-D8 HydrophobicContact CB-CB 4.07Å; K4-D8 HydrophobicContact CD-CB 4.37Å; K4-D8 HydrophobicContact CG-CB 4.24Å; K4-D12 IonicContact NZ-OD2 3.9Å; K4-D12 PolarHBondContact NZ-OD2 2.98Å
5	S	69.5	Low	60.4	Low	62 Å²	62	122.7 Å²	122.7	43%	0.434	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-72.2	157.2	172	166.4	0	0	0	0	110.6	M7 D8 V9	S5-M7 PolarHBondContact O-N 2.87Å; S5-M7 VanDerWaalsContact O-N 3.12Å; S5-M7 PolarHBondContact OG-N 2.95Å; S5-D8 PolarHBondContact N-OD2 2.81Å; S5-D8 WeakPolarHBondContact O-CA 3.34Å; S5-D8 WeakPolarHBondContact O-CB 3.39Å; S5-D8 PolarHBondContact O-N 3.25Å; S5-V9 PolarHBondContact O-N 3.24Å
6	I	69.1	Low	59.9	Low	138 Å²	138	118.9 Å²	118.9	71%	0.708	61%	0.609	S	S	*	*	H	α-helix	trans	-50.3	-34.7	169.5	-103.1	170.3	0	0	0	111.7	D8 V9 V10	I6-D8 VanDerWaalsContact C-N 3.31Å; I6-D8 PolarHBondContact O-N 3.12Å; I6-V9 PolarHBondContact O-N 3.36Å; I6-V10 WeakPolarHBondContact O-CG2 3.33Å; I6-V10 PolarHBondContact O-N 2.78Å
7	M	67.3	Low	59.3	Low	126 Å²	126	116.6 Å²	116.6	62%	0.621	61%	0.607	S	S	*	*	H	α-helix	trans	-66.9	-32.3	177.4	-74.9	-75.4	-85.5	0	0	112.3	S5 R11	S5-M7 PolarHBondContact O-N 2.87Å; S5-M7 VanDerWaalsContact O-N 3.12Å; S5-M7 PolarHBondContact OG-N 2.95Å; M7-R11 VanDerWaalsContact O-CB 3.23Å; M7-R11 WeakPolarHBondContact O-CB 3.23Å; M7-R11 PolarHBondContact O-N 3.45Å
8	D	72.3	Confident	58.2	Low	59 Å²	59	117.7 Å²	117.7	32%	0.316	61%	0.613	S	S	.	*	H	α-helix	trans	-71.4	-38.4	175.3	-60	-43.4	0	0	0	110.8	K4 S5 I6 R11 D12	K4-D8 HydrophobicContact CB-CB 4.07Å; K4-D8 HydrophobicContact CD-CB 4.37Å; K4-D8 HydrophobicContact CG-CB 4.24Å; S5-D8 PolarHBondContact N-OD2 2.81Å; S5-D8 WeakPolarHBondContact O-CA 3.34Å; S5-D8 WeakPolarHBondContact O-CB 3.39Å; S5-D8 PolarHBondContact O-N 3.25Å; I6-D8 VanDerWaalsContact C-N 3.31Å; I6-D8 PolarHBondContact O-N 3.12Å; D8-R11 PolarHBondContact O-N 3.4Å; D8-D12 VanDerWaalsContact O-CB 3.3Å; D8-D12 WeakPolarHBondContact O-CB 3.37Å; D8-D12 VanDerWaalsContact O-CG 3.29Å; D8-D12 PolarHBondContact O-N 3.31Å
9	V	70.7	Confident	57.2	Low	75 Å²	75	120.7 Å²	120.7	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-63.5	-44.9	174.3	-179.9	0	0	0	0	111	S5 I6 R11 D12 L13	S5-V9 PolarHBondContact O-N 3.24Å; I6-V9 PolarHBondContact O-N 3.36Å; V9-R11 VanDerWaalsContact C-N 3.32Å; V9-R11 PolarHBondContact O-N 2.69Å; V9-D12 PolarHBondContact O-N 3.45Å; V9-L13 HydrophobicContact CG1-CD1 4.22Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 3.34Å
10	V	64	Low	56.2	Low	64 Å²	64	124.5 Å²	124.5	39%	0.388	63%	0.627	S	S	.	*	H	α-helix	trans	-65.1	-37.7	176.7	173.9	0	0	0	0	111.2	I6 L13 R14	I6-V10 WeakPolarHBondContact O-CG2 3.33Å; I6-V10 PolarHBondContact O-N 2.78Å; V10-L13 PolarHBondContact O-N 2.83Å; V10-R14 WeakPolarHBondContact O-CB 3.3Å; V10-R14 WeakPolarHBondContact O-CG 3.35Å; V10-R14 PolarHBondContact O-N 3.2Å
11	R	63.7	Low	55.3	Low	143 Å²	143	130.1 Å²	130.1	54%	0.54	64%	0.641	S	S	.	*	H	α-helix	trans	-71.1	-36.3	177.6	-163.6	-178.6	-82.7	162.8	-9.8	111.5	M7 D8 V9 R14 R15	M7-R11 VanDerWaalsContact O-CB 3.23Å; M7-R11 WeakPolarHBondContact O-CB 3.23Å; M7-R11 PolarHBondContact O-N 3.45Å; D8-R11 PolarHBondContact O-N 3.4Å; V9-R11 VanDerWaalsContact C-N 3.32Å; V9-R11 PolarHBondContact O-N 2.69Å; R11-R14 PolarHBondContact O-N 3.46Å; R11-R15 WeakPolarHBondContact O-CB 3.46Å; R11-R15 WeakPolarHBondContact O-CG 3.4Å; R11-R15 PolarHBondContact O-N 3.29Å
12	D	68	Low	55.3	Low	63 Å²	63	123.8 Å²	123.8	34%	0.337	62%	0.616	S	S	.	*	H	α-helix	trans	-68.3	-38.9	172.6	-76.9	-14.2	0	0	0	111.3	K4 D8 V9 R15 A16	K4-D12 IonicContact NZ-OD2 3.9Å; K4-D12 PolarHBondContact NZ-OD2 2.98Å; D8-D12 VanDerWaalsContact O-CB 3.3Å; D8-D12 WeakPolarHBondContact O-CB 3.37Å; D8-D12 VanDerWaalsContact O-CG 3.29Å; D8-D12 PolarHBondContact O-N 3.31Å; V9-D12 PolarHBondContact O-N 3.45Å; D12-R15 CarbonylContact O-C 3.45Å; D12-R15 PolarHBondContact O-N 3.15Å; D12-A16 VanDerWaalsContact O-CB 3.27Å; D12-A16 WeakPolarHBondContact O-CB 3.49Å; D12-A16 PolarHBondContact O-N 3.2Å
13	L	58.6	Low	55.3	Low	116 Å²	116	120 Å²	120	61%	0.607	60%	0.596	S	S	*	*	H	α-helix	trans	-63.8	-39.7	171.3	-75.6	170	0	0	0	111.8	V9 V10 A16 S17	V9-L13 HydrophobicContact CG1-CD1 4.22Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 3.34Å; V10-L13 PolarHBondContact O-N 2.83Å; L13-A16 PolarHBondContact O-N 2.83Å; L13-S17 PolarHBondContact O-N 3.37Å; L13-S17 PolarHBondContact O-OG 3.17Å
14	R	53.5	Low	54.8	Low	180 Å²	180	121 Å²	121	68%	0.679	60%	0.596	S	S	*	*	H	α-helix	trans	-69.4	-32.3	173.5	-75.2	-177.5	-177.9	-169.5	2.1	112.8	V10 R11 S17 N18	V10-R14 WeakPolarHBondContact O-CB 3.3Å; V10-R14 WeakPolarHBondContact O-CG 3.35Å; V10-R14 PolarHBondContact O-N 3.2Å; R11-R14 PolarHBondContact O-N 3.46Å; R14-S17 VanDerWaalsContact CA-OG 3.3Å; R14-S17 WeakPolarHBondContact CA-OG 3.43Å; R14-S17 PolarHBondContact O-N 3.09Å; R14-S17 PolarHBondContact O-OG 2.74Å; R14-N18 PolarHBondContact O-N 3.42Å
15	R	50	Low	54.2	Low	165 Å²	165	122.1 Å²	122.1	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-73.6	-36.6	173.3	-79.3	178.3	172.4	-175.5	-3	111.5	R11 D12 S17 N18 F19	R11-R15 WeakPolarHBondContact O-CB 3.46Å; R11-R15 WeakPolarHBondContact O-CG 3.4Å; R11-R15 PolarHBondContact O-N 3.29Å; D12-R15 CarbonylContact O-C 3.45Å; D12-R15 PolarHBondContact O-N 3.15Å; R15-S17 VanDerWaalsContact C-N 3.32Å; R15-N18 CarbonylContact O-C 3.6Å; R15-N18 WeakPolarHBondContact O-CA 3.27Å; R15-N18 PolarHBondContact O-N 2.76Å; R15-N18 VanDerWaalsContact O-N 3.09Å; R15-F19 PolarHBondContact O-N 2.85Å
16	A	52.1	Low	53.1	Low	61 Å²	61	124 Å²	124	50%	0.504	61%	0.607	S	S	.	*	H	α-helix	trans	-66	-34.6	170.7	0	0	0	0	0	111.2	D12 L13 N18 F19	D12-A16 VanDerWaalsContact O-CB 3.27Å; D12-A16 WeakPolarHBondContact O-CB 3.49Å; D12-A16 PolarHBondContact O-N 3.2Å; L13-A16 PolarHBondContact O-N 2.83Å; A16-N18 PolarHBondContact O-N 3.49Å; A16-F19 WeakPolarHBondContact O-CB 3.33Å; A16-F19 PolarHBondContact O-N 2.89Å; A16-F19 VanDerWaalsContact O-N 3.15Å
17	S	50.1	Low	52.4	Low	81 Å²	81	125.2 Å²	125.2	57%	0.566	61%	0.61	S	S	*	*	H	α-helix	trans	-70.5	-18.9	171	67.8	0	0	0	0	113.6	L13 R14 R15	L13-S17 PolarHBondContact O-N 3.37Å; L13-S17 PolarHBondContact O-OG 3.17Å; R14-S17 VanDerWaalsContact CA-OG 3.3Å; R14-S17 WeakPolarHBondContact CA-OG 3.43Å; R14-S17 PolarHBondContact O-N 3.09Å; R14-S17 PolarHBondContact O-OG 2.74Å; R15-S17 VanDerWaalsContact C-N 3.32Å
18	N	39.7	Very low	51.9	Low	136 Å²	136	124.8 Å²	124.8	73%	0.727	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-0.2	172.5	-75.5	-5.7	0	0	0	113	R14 R15 A16 R20	R14-N18 PolarHBondContact O-N 3.42Å; R15-N18 CarbonylContact O-C 3.6Å; R15-N18 WeakPolarHBondContact O-CA 3.27Å; R15-N18 PolarHBondContact O-N 2.76Å; R15-N18 VanDerWaalsContact O-N 3.09Å; A16-N18 PolarHBondContact O-N 3.49Å; N18-R20 PolarHBondContact O-N 3.48Å
19	F	38.7	Very low	51.3	Low	174 Å²	174	128.8 Å²	128.8	76%	0.763	63%	0.625	S	S	*	*	S	Bend	trans	-69.9	88.6	169.4	-120.2	-96.2	0	0	0	108.7	R15 A16	R15-F19 PolarHBondContact O-N 2.85Å; A16-F19 WeakPolarHBondContact O-CB 3.33Å; A16-F19 PolarHBondContact O-N 2.89Å; A16-F19 VanDerWaalsContact O-N 3.15Å
20	R	36.9	Very low	51.4	Low	197 Å²	197	129.6 Å²	129.6	74%	0.743	63%	0.626	S	S	*	*			trans	45.3	92.2	157.4	-67.1	-178.1	175.1	-178.4	-2.1	114.8	N18 T22	N18-R20 PolarHBondContact O-N 3.48Å; R20-T22 PolarHBondContact O-N 2.78Å
21	R	38.6	Very low	52.1	Low	243 Å²	243	129.9 Å²	129.9	92%	0.917	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	42.3	152.8	-81.2	-177.8	167.9	172	-3.9	113
22	T	39.6	Very low	52.7	Low	114 Å²	114	126.3 Å²	126.3	70%	0.699	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	10.1	174.6	61	0	0	0	0	112.7	R20 V24	R20-T22 PolarHBondContact O-N 2.78Å; T22-V24 PolarHBondContact O-N 3.26Å
23	S	44.5	Very low	53.4	Low	66 Å²	66	130.9 Å²	130.9	46%	0.462	63%	0.631	S	S	.	*	S	Bend	trans	-70.8	114.9	144	56	0	0	0	0	105.5	F25	S23-F25 PolarHBondContact O-N 2.69Å; S23-F25 WeakPolarHBondContact OG-CD2 3.06Å; S23-F25 WeakPolarHBondContact OG-CE2 3.06Å
24	V	44.9	Very low	54.8	Low	136 Å²	136	127 Å²	127	82%	0.824	61%	0.611	S	S	*	*			trans	-59.6	77.3	155.1	-176.1	0	0	0	0	104.9	T22 N26	T22-V24 PolarHBondContact O-N 3.26Å; V24-N26 PolarHBondContact O-N 3.32Å
25	F	47.3	Very low	56.6	Low	166 Å²	166	122.4 Å²	122.4	73%	0.728	61%	0.605	S	S	*	*			trans	-55.9	109.4	156.1	-86.8	-78.4	0	0	0	102.3	S23 E27	S23-F25 PolarHBondContact O-N 2.69Å; S23-F25 WeakPolarHBondContact OG-CD2 3.06Å; S23-F25 WeakPolarHBondContact OG-CE2 3.06Å; F25-E27 PolarHBondContact O-N 3.33Å
26	N	46.4	Very low	58.6	Low	101 Å²	101	118.4 Å²	118.4	54%	0.54	59%	0.593	S	S	.	*			trans	-53.2	97	177.8	-162.9	3.4	0	0	0	106.2	V24 D28 F29	V24-N26 PolarHBondContact O-N 3.32Å; N26-D28 PolarHBondContact O-N 3.38Å; N26-F29 PolarHBondContact O-N 3.43Å
27	E	53.5	Low	60.6	Low	164 Å²	164	123.6 Å²	123.6	77%	0.766	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-17.8	-177.4	-74.7	-169.9	156.8	0	0	110.3	F25	F25-E27 PolarHBondContact O-N 3.33Å
28	D	56.9	Low	62.6	Low	116 Å²	116	123 Å²	123	62%	0.62	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-28.3	177.4	-69.5	-30.2	0	0	0	114.8	N26 R33	N26-D28 PolarHBondContact O-N 3.38Å; D28-R33 PolarHBondContact O-NH1 3.13Å; D28-R33 IonicContact OD1-NH1 2.69Å
29	F	60.5	Low	65.2	Low	143 Å²	143	116.6 Å²	116.6	63%	0.627	56%	0.559	S	S	*	*			trans	-110.1	72.6	-178.4	-158.7	-94.5	0	0	0	112.8	N26 L34	N26-F29 PolarHBondContact O-N 3.43Å; F29-L34 HydrophobicContact CE2-CD2 4.06Å; F29-L34 HydrophobicContact CZ-CD2 3.78Å; F29-L34 HydrophobicContact CZ-CG 4.38Å
30	L	72.8	Confident	67.9	Low	93 Å²	93	109.8 Å²	109.8	49%	0.487	53%	0.531	S	S	.	.			trans	-81	128	163.8	-67.6	166.7	0	0	0	108.8	T32 R33	L30-T32 PolarHBondContact O-N 3.06Å; L30-R33 HydrophobicContact CB-CG 4.18Å; L30-R33 WeakPolarHBondContact O-CB 3.47Å; L30-R33 PolarHBondContact O-N 3.08Å
31	I	77.7	Confident	70.6	Confident	70 Å²	70	106 Å²	106	36%	0.359	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-51.8	-29.7	174.6	-168.3	172.2	0	0	0	112.3	R33 L34 M39 W61	I31-R33 PolarHBondContact O-N 2.99Å; I31-L34 HydrophobicContact CG1-CD1 3.97Å; I31-L34 WeakPolarHBondContact O-CB 3.38Å; I31-L34 WeakPolarHBondContact O-CG 3.44Å; I31-L34 PolarHBondContact O-N 2.88Å; I31-L34 VanDerWaalsContact O-N 3.14Å; I31-M39 HydrophobicContact CD1-CE 4.31Å; I31-M39 HydrophobicContact CD1-SD 4.24Å; I31-M39 HydrophobicContact CG1-CE 4.07Å; I31-M39 HydrophobicContact CG1-SD 3.66Å; I31-W61 HydrophobicContact CD1-CH2 4.33Å; I31-W61 HydrophobicContact CD1-CZ2 3.98Å; I31-W61 HydrophobicContact CG2-CZ2 3.81Å
32	T	75.7	Confident	73.3	Confident	68 Å²	68	98 Å²	98	42%	0.417	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-68	-11	175.7	55.9	0	0	0	0	114.6	L30	L30-T32 PolarHBondContact O-N 3.06Å
33	R	83.5	Confident	75.9	Confident	158 Å²	158	92.8 Å²	92.8	60%	0.596	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-88.7	-9.1	173.5	-68.1	-179.7	177.4	-176.9	-0.4	112.8	D28 L30 I31	D28-R33 PolarHBondContact O-NH1 3.13Å; D28-R33 IonicContact OD1-NH1 2.69Å; L30-R33 HydrophobicContact CB-CG 4.18Å; L30-R33 WeakPolarHBondContact O-CB 3.47Å; L30-R33 PolarHBondContact O-N 3.08Å; I31-R33 PolarHBondContact O-N 2.99Å
34	L	87.9	Confident	78.3	Confident	36 Å²	36	93 Å²	93	19%	0.188	47%	0.466	C	S	.	.	S	Bend	trans	-66.2	142.9	175.4	-67.5	177.7	0	0	0	110.6	F29 I31 I38 M39 I42	F29-L34 HydrophobicContact CE2-CD2 4.06Å; F29-L34 HydrophobicContact CZ-CD2 3.78Å; F29-L34 HydrophobicContact CZ-CG 4.38Å; I31-L34 HydrophobicContact CG1-CD1 3.97Å; I31-L34 WeakPolarHBondContact O-CB 3.38Å; I31-L34 WeakPolarHBondContact O-CG 3.44Å; I31-L34 PolarHBondContact O-N 2.88Å; I31-L34 VanDerWaalsContact O-N 3.14Å; L34-I38 HydrophobicContact CD1-CG2 4.42Å; L34-M39 HydrophobicContact CB-CG 3.98Å; L34-M39 HydrophobicContact CB-SD 4.04Å; L34-M39 HydrophobicContact CD1-SD 4.01Å; L34-I42 HydrophobicContact CD1-CD1 3.84Å
35	P	91.9	Very high	80.6	Confident	83 Å²	83	94.2 Å²	94.2	54%	0.539	46%	0.462	S	S	.	.			trans	-55.8	142.1	172	-23.3	32.8	0	0	0	111.2	K37 I38 M39	P35-K37 PolarHBondContact O-N 2.8Å; P35-K37 VanDerWaalsContact O-N 3.1Å; P35-I38 HydrophobicContact CB-CG1 4.24Å; P35-I38 HydrophobicContact CG-CG1 4.29Å; P35-I38 WeakPolarHBondContact O-CA 3.36Å; P35-I38 WeakPolarHBondContact O-CB 3.33Å; P35-I38 PolarHBondContact O-N 2.92Å; P35-M39 PolarHBondContact O-N 3.33Å; P35-M39 VanDerWaalsContact O-N 3.08Å
36	E	92.4	Very high	82.8	Confident	80 Å²	80	88.8 Å²	88.8	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-56.7	-33.7	-176.2	-66.3	-169.6	-174.9	0	0	113.1	I38 M39 L40 M60 R63 L64	E36-I38 VanDerWaalsContact C-N 3.32Å; E36-I38 PolarHBondContact O-N 2.96Å; E36-M39 WeakPolarHBondContact O-CB 3.36Å; E36-M39 PolarHBondContact O-N 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.47Å; E36-L40 PolarHBondContact O-N 3.31Å; E36-M60 HydrophobicContact CG-CE 4.12Å; E36-R63 IonicContact OE1-CZ 3.76Å; E36-R63 IonicContact OE1-NH1 3.24Å; E36-R63 PolarHBondContact OE1-NH1 3.42Å; E36-R63 IonicContact OE1-NH2 3.88Å; E36-R63 PolarHBondContact OE1-NH2 3.2Å; E36-R63 IonicContact OE2-CZ 3.52Å; E36-R63 IonicContact OE2-NH1 2.69Å; E36-R63 PolarHBondContact OE2-NH1 3.34Å; E36-R63 IonicContact OE2-NH2 2.67Å; E36-L64 HydrophobicContact CB-CD2 3.97Å; E36-L64 HydrophobicContact CG-CD2 4.13Å
37	K	93.2	Very high	84.9	Confident	170 Å²	170	86 Å²	86	74%	0.739	43%	0.429	S	S	*	.	H	α-helix	trans	-60.8	-38.9	174.4	-66.9	-174.3	179.3	-178.4	0	112.9	P35 Q41	P35-K37 PolarHBondContact O-N 2.8Å; P35-K37 VanDerWaalsContact O-N 3.1Å; K37-Q41 WeakPolarHBondContact O-CG 3.36Å; K37-Q41 PolarHBondContact O-N 3Å
38	I	93.2	Very high	86.6	Confident	70 Å²	70	79.4 Å²	79.4	36%	0.359	40%	0.398	S	S	.	.	H	α-helix	trans	-72	-40.3	176.8	-56.7	-57.2	0	0	0	109.8	L34 P35 E36 L40 Q41 I42	L34-I38 HydrophobicContact CD1-CG2 4.42Å; P35-I38 HydrophobicContact CB-CG1 4.24Å; P35-I38 HydrophobicContact CG-CG1 4.29Å; P35-I38 WeakPolarHBondContact O-CA 3.36Å; P35-I38 WeakPolarHBondContact O-CB 3.33Å; P35-I38 PolarHBondContact O-N 2.92Å; E36-I38 VanDerWaalsContact C-N 3.32Å; E36-I38 PolarHBondContact O-N 2.96Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 2.72Å; I38-Q41 WeakPolarHBondContact O-CB 3.36Å; I38-Q41 PolarHBondContact O-N 2.8Å; I38-I42 HydrophobicContact CG2-CD1 4.12Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.38Å; I38-I42 PolarHBondContact O-N 2.94Å
39	M	93.6	Very high	88.3	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-60.2	-42.8	173.8	-70.9	-66.4	-69.5	0	0	112.1	I31 L34 P35 E36 I42 F43 W61 L64	I31-M39 HydrophobicContact CD1-CE 4.31Å; I31-M39 HydrophobicContact CD1-SD 4.24Å; I31-M39 HydrophobicContact CG1-CE 4.07Å; I31-M39 HydrophobicContact CG1-SD 3.66Å; L34-M39 HydrophobicContact CB-CG 3.98Å; L34-M39 HydrophobicContact CB-SD 4.04Å; L34-M39 HydrophobicContact CD1-SD 4.01Å; P35-M39 PolarHBondContact O-N 3.33Å; P35-M39 VanDerWaalsContact O-N 3.08Å; E36-M39 WeakPolarHBondContact O-CB 3.36Å; E36-M39 PolarHBondContact O-N 3.31Å; M39-I42 PolarHBondContact O-N 3.11Å; M39-F43 HydrophobicContact CE-CE1 3.77Å; M39-F43 HydrophobicContact CE-CE2 4.48Å; M39-F43 HydrophobicContact CE-CZ 3.58Å; M39-F43 WeakPolarHBondContact O-CB 3.5Å; M39-F43 WeakPolarHBondContact O-CD1 3.34Å; M39-F43 VanDerWaalsContact O-CG 3.27Å; M39-F43 WeakPolarHBondContact O-CG 3.34Å; M39-F43 PolarHBondContact O-N 3.32Å; M39-W61 HydrophobicContact CE-CZ2 4.12Å; M39-L64 HydrophobicContact CB-CD1 3.73Å; M39-L64 HydrophobicContact CG-CD1 4.27Å
40	L	94.2	Very high	89.8	Confident	31 Å²	31	73.8 Å²	73.8	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-40.4	175	-72.4	173.6	0	0	0	112	E36 I38 I42 F43 S44 L64 D67 L70	E36-L40 WeakPolarHBondContact O-CG 3.47Å; E36-L40 PolarHBondContact O-N 3.31Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 2.72Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 2.99Å; L40-F43 CarbonylContact O-C 3.55Å; L40-F43 PolarHBondContact O-N 2.82Å; L40-S44 WeakPolarHBondContact O-CB 3.39Å; L40-S44 PolarHBondContact O-N 3.47Å; L40-L64 HydrophobicContact CD2-CB 4.22Å; L40-L64 HydrophobicContact CD2-CD2 4.11Å; L40-L64 WeakPolarHBondContact CD2-O 3.37Å; L40-L64 HydrophobicContact CG-CD2 4.15Å; L40-D67 HydrophobicContact CD2-CB 3.49Å; L40-D67 VanDerWaalsContact CD2-CB 3.49Å; L40-L70 HydrophobicContact CD2-CD1 4.01Å; L40-L70 HydrophobicContact CD2-CG 4.23Å
41	Q	94.8	Very high	90.8	Very high	119 Å²	119	69.4 Å²	69.4	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-60.6	-44.2	172.8	-76.5	178	-23.3	0	0	111.7	K37 I38 F43 S44 H45	K37-Q41 WeakPolarHBondContact O-CG 3.36Å; K37-Q41 PolarHBondContact O-N 3Å; I38-Q41 WeakPolarHBondContact O-CB 3.36Å; I38-Q41 PolarHBondContact O-N 2.8Å; Q41-F43 PolarHBondContact O-N 3.23Å; Q41-S44 WeakPolarHBondContact O-CB 3.46Å; Q41-S44 PolarHBondContact O-N 3.44Å; Q41-S44 PolarHBondContact O-OG 2.94Å; Q41-H45 PolarHBondContact O-CD2 3.06Å
42	I	94.6	Very high	91.4	Very high	73 Å²	73	67.8 Å²	67.8	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-46.9	174.8	-65.9	165.2	0	0	0	110.2	L34 I38 M39 L40 S44 H45	L34-I42 HydrophobicContact CD1-CD1 3.84Å; I38-I42 HydrophobicContact CG2-CD1 4.12Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.38Å; I38-I42 PolarHBondContact O-N 2.94Å; M39-I42 PolarHBondContact O-N 3.11Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 2.99Å; I42-S44 VanDerWaalsContact C-N 3.26Å; I42-S44 PolarHBondContact O-N 3.01Å; I42-H45 PolarHBondContact O-N 3.19Å
43	F	95.2	Very high	92.3	Very high	5 Å²	5	69.2 Å²	69.2	2%	0.022	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-25.2	-179.4	-69.2	1.9	0	0	0	112.7	M39 L40 Q41 H45 L46 L51 I54 W61 L64 A65 L70	M39-F43 HydrophobicContact CE-CE1 3.77Å; M39-F43 HydrophobicContact CE-CE2 4.48Å; M39-F43 HydrophobicContact CE-CZ 3.58Å; M39-F43 WeakPolarHBondContact O-CB 3.5Å; M39-F43 WeakPolarHBondContact O-CD1 3.34Å; M39-F43 VanDerWaalsContact O-CG 3.27Å; M39-F43 WeakPolarHBondContact O-CG 3.34Å; M39-F43 PolarHBondContact O-N 3.32Å; L40-F43 CarbonylContact O-C 3.55Å; L40-F43 PolarHBondContact O-N 2.82Å; Q41-F43 PolarHBondContact O-N 3.23Å; F43-H45 PolarHBondContact O-N 3.01Å; F43-H45 VanDerWaalsContact O-N 3.15Å; F43-L46 HydrophobicContact CD1-CD1 4.18Å; F43-L46 WeakPolarHBondContact O-CB 3.15Å; F43-L46 PolarHBondContact O-N 2.67Å; F43-L51 HydrophobicContact CB-CD2 4.01Å; F43-I54 HydrophobicContact CD1-CD1 3.66Å; F43-I54 HydrophobicContact CD2-CD1 3.57Å; F43-I54 HydrophobicContact CE1-CD1 3.59Å; F43-I54 HydrophobicContact CE2-CD1 3.48Å; F43-I54 VanDerWaalsContact CE2-CD1 3.48Å; F43-I54 HydrophobicContact CG-CD1 3.67Å; F43-I54 HydrophobicContact CZ-CD1 3.5Å; F43-I54 VanDerWaalsContact CZ-CD1 3.5Å; F43-W61 HydrophobicContact CE1-CE3 4.49Å; F43-W61 HydrophobicContact CE1-CZ3 4.49Å; F43-W61 AromaticContact CZ-CD2 3.85Å; F43-W61 HydrophobicContact CZ-CD2 3.85Å; F43-W61 AromaticContact CZ-CE3 3.96Å; F43-W61 HydrophobicContact CZ-CE3 3.96Å; F43-W61 HydrophobicContact CZ-CG 4.16Å; F43-W61 HydrophobicContact CZ-CZ3 4.39Å; F43-L64 HydrophobicContact CD2-CB 3.95Å; F43-L64 HydrophobicContact CE2-CB 3.67Å; F43-L64 HydrophobicContact CE2-CD1 4.45Å; F43-A65 HydrophobicContact CD2-CB 4.47Å; F43-A65 HydrophobicContact CE2-CB 4.49Å; F43-L70 HydrophobicContact CB-CD1 3.74Å; F43-L70 HydrophobicContact CB-CD2 4.29Å; F43-L70 HydrophobicContact CD2-CD1 4.37Å
44	S	94.2	Very high	92.8	Very high	72 Å²	72	63.1 Å²	63.1	50%	0.503	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.9	176.2	78.5	0	0	0	0	114	L40 Q41 I42	L40-S44 WeakPolarHBondContact O-CB 3.39Å; L40-S44 PolarHBondContact O-N 3.47Å; Q41-S44 WeakPolarHBondContact O-CB 3.46Å; Q41-S44 PolarHBondContact O-N 3.44Å; Q41-S44 PolarHBondContact O-OG 2.94Å; I42-S44 VanDerWaalsContact C-N 3.26Å; I42-S44 PolarHBondContact O-N 3.01Å
45	H	93.7	Very high	93.1	Very high	160 Å²	160	61.4 Å²	61.4	74%	0.741	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.1	173.7	-65.7	-70.6	0	0	0	113.6	Q41 I42 F43	Q41-H45 PolarHBondContact O-CD2 3.06Å; I42-H45 PolarHBondContact O-N 3.19Å; F43-H45 PolarHBondContact O-N 3.01Å; F43-H45 VanDerWaalsContact O-N 3.15Å
46	L	92.3	Very high	93.2	Very high	53 Å²	53	66.5 Å²	66.5	28%	0.277	33%	0.33	S	S	.	.	S	Bend	trans	-89.2	142.8	179.4	-59.6	178	0	0	0	110.6	F43 E50 L51 I54	F43-L46 HydrophobicContact CD1-CD1 4.18Å; F43-L46 WeakPolarHBondContact O-CB 3.15Å; F43-L46 PolarHBondContact O-N 2.67Å; L46-E50 HydrophobicContact CB-CB 3.91Å; L46-E50 HydrophobicContact CD2-CB 4.28Å; L46-L51 HydrophobicContact CB-CD2 3.98Å; L46-L51 HydrophobicContact CB-CG 4.08Å; L46-L51 HydrophobicContact CD1-CD2 4.15Å; L46-I54 HydrophobicContact CD1-CD1 3.53Å; L46-I54 HydrophobicContact CD1-CG1 4Å; L46-I54 HydrophobicContact CD1-CG2 4.12Å
47	S	90.8	Very high	93.3	Very high	43 Å²	43	67.1 Å²	67.1	30%	0.301	34%	0.338	S	S	.	.			trans	-66.7	161.2	167.9	64	0	0	0	0	111.3	E50 L51	S47-E50 WeakPolarHBondContact CB-OE2 3.19Å; S47-E50 PolarHBondContact N-OE2 3.08Å; S47-E50 WeakPolarHBondContact O-CB 3.35Å; S47-E50 PolarHBondContact O-N 3.34Å; S47-E50 VanDerWaalsContact OG-CG 3.27Å; S47-E50 WeakPolarHBondContact OG-CG 3.39Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-E50 PolarHBondContact OG-OE2 3.27Å; S47-L51 WeakPolarHBondContact O-CG 3.43Å; S47-L51 PolarHBondContact O-N 3.45Å
48	H	90.3	Very high	93.2	Very high	25 Å²	25	61.4 Å²	61.4	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-40	178.1	-57.2	128.5	0	0	0	114.1	E50 L51 C52 W71 S73 I83	H48-E50 VanDerWaalsContact C-N 3.29Å; H48-E50 PolarHBondContact O-N 3.36Å; H48-L51 PolarHBondContact O-N 3.35Å; H48-C52 PolarHBondContact O-N 3.47Å; H48-C52 PolarHBondContact O-SG 2.78Å; H48-W71 HydrophobicContact CB-CH2 4.04Å; H48-W71 HydrophobicContact CB-CZ3 4.06Å; H48-W71 AromaticContact CD2-CE3 3.8Å; H48-W71 AromaticContact CD2-CZ3 3.8Å; H48-S73 PolarHBondContact CE1-O 2.83Å; H48-S73 PolarHBondContact NE2-O 3.45Å; H48-I83 HydrophobicContact CB-CD1 3.37Å; H48-I83 HydrophobicContact CB-CG1 3.34Å
49	P	91	Very high	93.2	Very high	50 Å²	50	67 Å²	67	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-38.4	172.2	-25.9	36.6	0	0	0	113	C52 N53	P49-C52 WeakPolarHBondContact O-CB 3.25Å; P49-C52 PolarHBondContact O-N 2.88Å; P49-N53 PolarHBondContact O-N 3.07Å; P49-N53 VanDerWaalsContact O-N 3.07Å; P49-N53 PolarHBondContact O-ND2 3.39Å
50	E	93.2	Very high	93.1	Very high	90 Å²	90	69.5 Å²	69.5	42%	0.421	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-40.6	175.9	-70.7	165.8	139.3	0	0	111.8	L46 S47 H48 C52 N53 I54	L46-E50 HydrophobicContact CB-CB 3.91Å; L46-E50 HydrophobicContact CD2-CB 4.28Å; S47-E50 WeakPolarHBondContact CB-OE2 3.19Å; S47-E50 PolarHBondContact N-OE2 3.08Å; S47-E50 WeakPolarHBondContact O-CB 3.35Å; S47-E50 PolarHBondContact O-N 3.34Å; S47-E50 VanDerWaalsContact OG-CG 3.27Å; S47-E50 WeakPolarHBondContact OG-CG 3.39Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-E50 PolarHBondContact OG-OE2 3.27Å; H48-E50 VanDerWaalsContact C-N 3.29Å; H48-E50 PolarHBondContact O-N 3.36Å; E50-C52 VanDerWaalsContact C-N 3.34Å; E50-C52 PolarHBondContact O-N 3.39Å; E50-N53 WeakPolarHBondContact O-CB 3.01Å; E50-N53 PolarHBondContact O-N 3.07Å; E50-I54 WeakPolarHBondContact O-CG1 3.32Å; E50-I54 PolarHBondContact O-N 2.97Å
51	L	93.4	Very high	93.1	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-58.2	-43.9	172.3	-69.5	175.1	0	0	0	111.9	F43 L46 S47 H48 N53 I54 A55 L70 W71	F43-L51 HydrophobicContact CB-CD2 4.01Å; L46-L51 HydrophobicContact CB-CD2 3.98Å; L46-L51 HydrophobicContact CB-CG 4.08Å; L46-L51 HydrophobicContact CD1-CD2 4.15Å; S47-L51 WeakPolarHBondContact O-CG 3.43Å; S47-L51 PolarHBondContact O-N 3.45Å; H48-L51 PolarHBondContact O-N 3.35Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 3.45Å; L51-I54 HydrophobicContact CD2-CD1 4.11Å; L51-I54 WeakPolarHBondContact O-CG1 3.42Å; L51-I54 PolarHBondContact O-N 2.89Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.28Å; L51-L70 HydrophobicContact CD1-CB 4.01Å; L51-L70 HydrophobicContact CD2-CD1 3.91Å; L51-W71 HydrophobicContact CB-CZ2 3.87Å; L51-W71 HydrophobicContact CD1-CZ2 4.1Å
52	C	91.6	Very high	93.1	Very high	36 Å²	36	69.8 Å²	69.8	24%	0.243	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-41.8	172.9	-66.1	0	0	0	0	112	H48 P49 E50 R98	H48-C52 PolarHBondContact O-N 3.47Å; H48-C52 PolarHBondContact O-SG 2.78Å; P49-C52 WeakPolarHBondContact O-CB 3.25Å; P49-C52 PolarHBondContact O-N 2.88Å; E50-C52 VanDerWaalsContact C-N 3.34Å; E50-C52 PolarHBondContact O-N 3.39Å; C52-R98 PolarHBondContact SG-NH1 3.19Å
53	N	94	Very high	93.1	Very high	98 Å²	98	72.7 Å²	72.7	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-48	-179.4	-74.2	-32.4	0	0	0	111.9	P49 E50 L51 A55 R56	P49-N53 PolarHBondContact O-N 3.07Å; P49-N53 VanDerWaalsContact O-N 3.07Å; P49-N53 PolarHBondContact O-ND2 3.39Å; E50-N53 WeakPolarHBondContact O-CB 3.01Å; E50-N53 PolarHBondContact O-N 3.07Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 3.45Å; N53-A55 VanDerWaalsContact C-N 3.26Å; N53-A55 PolarHBondContact O-N 2.76Å; N53-R56 WeakPolarHBondContact O-CB 3.24Å; N53-R56 PolarHBondContact O-N 3.06Å; N53-R56 VanDerWaalsContact O-N 3.13Å
54	I	94.2	Very high	93	Very high	29 Å²	29	72.5 Å²	72.5	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-69.1	-24.6	-178.6	63.3	145.7	0	0	0	112.6	F43 L46 E50 L51 R56 V57 W61 A65	F43-I54 HydrophobicContact CD1-CD1 3.66Å; F43-I54 HydrophobicContact CD2-CD1 3.57Å; F43-I54 HydrophobicContact CE1-CD1 3.59Å; F43-I54 HydrophobicContact CE2-CD1 3.48Å; F43-I54 VanDerWaalsContact CE2-CD1 3.48Å; F43-I54 HydrophobicContact CG-CD1 3.67Å; F43-I54 HydrophobicContact CZ-CD1 3.5Å; F43-I54 VanDerWaalsContact CZ-CD1 3.5Å; L46-I54 HydrophobicContact CD1-CD1 3.53Å; L46-I54 HydrophobicContact CD1-CG1 4Å; L46-I54 HydrophobicContact CD1-CG2 4.12Å; E50-I54 WeakPolarHBondContact O-CG1 3.32Å; E50-I54 PolarHBondContact O-N 2.97Å; L51-I54 HydrophobicContact CD2-CD1 4.11Å; L51-I54 WeakPolarHBondContact O-CG1 3.42Å; L51-I54 PolarHBondContact O-N 2.89Å; I54-R56 PolarHBondContact O-N 3.23Å; I54-V57 WeakPolarHBondContact O-CB 3.06Å; I54-V57 WeakPolarHBondContact O-CG2 3.34Å; I54-V57 PolarHBondContact O-N 3.41Å; I54-V57 VanDerWaalsContact O-N 3.08Å; I54-W61 HydrophobicContact CB-CE3 3.89Å; I54-W61 HydrophobicContact CB-CZ3 4.04Å; I54-W61 HydrophobicContact CG2-CZ3 4.19Å; I54-A65 HydrophobicContact CD1-CB 3.97Å; I54-A65 HydrophobicContact CG1-CB 4.11Å
55	A	93.3	Very high	93	Very high	1 Å²	1	69 Å²	69	1%	0.008	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.3	172.3	0	0	0	0	0	113.8	L51 N53 R62 A65 Y66	L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.28Å; N53-A55 VanDerWaalsContact C-N 3.26Å; N53-A55 PolarHBondContact O-N 2.76Å; A55-R62 HydrophobicContact CB-CB 4.48Å; A55-R62 HydrophobicContact CB-CG 4.31Å; A55-R62 WeakPolarHBondContact O-CB 3.35Å; A55-R62 PolarHBondContact O-NE 3.33Å; A55-R62 PolarHBondContact O-NH2 2.94Å; A55-A65 HydrophobicContact CB-CB 3.91Å; A55-Y66 HydrophobicContact CB-CD1 4.22Å; A55-Y66 HydrophobicContact CB-CE1 3.7Å
56	R	94.6	Very high	93	Very high	190 Å²	190	65 Å²	65	72%	0.717	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.3	177.2	-59.1	170.1	62.3	-173.5	-0.1	113.7	N53 I54	N53-R56 WeakPolarHBondContact O-CB 3.24Å; N53-R56 PolarHBondContact O-N 3.06Å; N53-R56 VanDerWaalsContact O-N 3.13Å; I54-R56 PolarHBondContact O-N 3.23Å
57	V	93.7	Very high	93	Very high	92 Å²	92	64.6 Å²	64.6	56%	0.558	31%	0.305	S	S	*	.	S	Bend	trans	-69.1	-54.5	-174.3	174.8	0	0	0	0	112.1	I54 W61	I54-V57 WeakPolarHBondContact O-CB 3.06Å; I54-V57 WeakPolarHBondContact O-CG2 3.34Å; I54-V57 PolarHBondContact O-N 3.41Å; I54-V57 VanDerWaalsContact O-N 3.08Å; V57-W61 HydrophobicContact CB-CB 4.3Å; V57-W61 HydrophobicContact CB-CD2 3.99Å; V57-W61 HydrophobicContact CB-CE3 3.66Å; V57-W61 HydrophobicContact CB-CG 4.29Å; V57-W61 HydrophobicContact CB-CZ3 4.32Å; V57-W61 HydrophobicContact CG1-CD2 3.96Å; V57-W61 HydrophobicContact CG1-CE3 3.94Å; V57-W61 HydrophobicContact CG1-CG 4.35Å; V57-W61 HydrophobicContact CG1-CZ3 4.39Å; V57-W61 HydrophobicContact CG2-CD2 4.43Å; V57-W61 HydrophobicContact CG2-CE3 3.62Å; V57-W61 HydrophobicContact CG2-CZ3 3.88Å
58	C	92	Very high	92.9	Very high	50 Å²	50	67.2 Å²	67.2	34%	0.338	31%	0.313	S	S	.	.			trans	-159.5	173.3	177.6	76.2	0	0	0	0	111.7	M60 W61 R62	C58-M60 VanDerWaalsContact C-N 3.34Å; C58-M60 PolarHBondContact O-N 3.2Å; C58-W61 PolarHBondContact O-N 3.1Å; C58-W61 VanDerWaalsContact SG-CD1 3.5Å; C58-W61 PolarHBondContact SG-N 3Å; C58-W61 VanDerWaalsContact SG-N 3.43Å; C58-R62 WeakPolarHBondContact O-CB 3.37Å; C58-R62 PolarHBondContact O-N 2.79Å
59	K	92.7	Very high	92.9	Very high	189 Å²	189	68.2 Å²	68.2	82%	0.822	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-40.6	-179.8	-66.7	-177	179.7	-179.8	0	113.1	R63	K59-R63 PolarHBondContact O-N 3.47Å
60	M	92.3	Very high	93	Very high	52 Å²	52	66.7 Å²	66.7	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-48.3	178.2	-177.3	-171.9	-169	0	0	111.1	E36 C58 R62 R63 L64	E36-M60 HydrophobicContact CG-CE 4.12Å; C58-M60 VanDerWaalsContact C-N 3.34Å; C58-M60 PolarHBondContact O-N 3.2Å; M60-R62 VanDerWaalsContact C-N 3.32Å; M60-R62 PolarHBondContact O-N 3Å; M60-R63 PolarHBondContact O-N 3.04Å; M60-L64 HydrophobicContact CE-CD1 4.37Å; M60-L64 HydrophobicContact CG-CD1 4.26Å; M60-L64 WeakPolarHBondContact O-CG 3.45Å; M60-L64 PolarHBondContact O-N 3.44Å
61	W	94.2	Very high	93	Very high	37 Å²	37	62.4 Å²	62.4	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-38.9	178.8	-79.8	38.6	0	0	0	112	I31 M39 F43 I54 V57 C58 L64 A65	I31-W61 HydrophobicContact CD1-CH2 4.33Å; I31-W61 HydrophobicContact CD1-CZ2 3.98Å; I31-W61 HydrophobicContact CG2-CZ2 3.81Å; M39-W61 HydrophobicContact CE-CZ2 4.12Å; F43-W61 HydrophobicContact CE1-CE3 4.49Å; F43-W61 HydrophobicContact CE1-CZ3 4.49Å; F43-W61 AromaticContact CZ-CD2 3.85Å; F43-W61 HydrophobicContact CZ-CD2 3.85Å; F43-W61 AromaticContact CZ-CE3 3.96Å; F43-W61 HydrophobicContact CZ-CE3 3.96Å; F43-W61 HydrophobicContact CZ-CG 4.16Å; F43-W61 HydrophobicContact CZ-CZ3 4.39Å; I54-W61 HydrophobicContact CB-CE3 3.89Å; I54-W61 HydrophobicContact CB-CZ3 4.04Å; I54-W61 HydrophobicContact CG2-CZ3 4.19Å; V57-W61 HydrophobicContact CB-CB 4.3Å; V57-W61 HydrophobicContact CB-CD2 3.99Å; V57-W61 HydrophobicContact CB-CE3 3.66Å; V57-W61 HydrophobicContact CB-CG 4.29Å; V57-W61 HydrophobicContact CB-CZ3 4.32Å; V57-W61 HydrophobicContact CG1-CD2 3.96Å; V57-W61 HydrophobicContact CG1-CE3 3.94Å; V57-W61 HydrophobicContact CG1-CG 4.35Å; V57-W61 HydrophobicContact CG1-CZ3 4.39Å; V57-W61 HydrophobicContact CG2-CD2 4.43Å; V57-W61 HydrophobicContact CG2-CE3 3.62Å; V57-W61 HydrophobicContact CG2-CZ3 3.88Å; C58-W61 PolarHBondContact O-N 3.1Å; C58-W61 VanDerWaalsContact SG-CD1 3.5Å; C58-W61 PolarHBondContact SG-N 3Å; C58-W61 VanDerWaalsContact SG-N 3.43Å; W61-L64 PolarHBondContact O-N 2.82Å; W61-A65 WeakPolarHBondContact O-CB 3.39Å; W61-A65 PolarHBondContact O-N 3.37Å
62	R	94.1	Very high	93	Very high	119 Å²	119	65.9 Å²	65.9	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-47.9	172.2	-174.2	169	-64.2	163.6	0.4	112.1	A55 C58 M60 L64 A65 Y66	A55-R62 HydrophobicContact CB-CB 4.48Å; A55-R62 HydrophobicContact CB-CG 4.31Å; A55-R62 WeakPolarHBondContact O-CB 3.35Å; A55-R62 PolarHBondContact O-NE 3.33Å; A55-R62 PolarHBondContact O-NH2 2.94Å; C58-R62 WeakPolarHBondContact O-CB 3.37Å; C58-R62 PolarHBondContact O-N 2.79Å; M60-R62 VanDerWaalsContact C-N 3.32Å; M60-R62 PolarHBondContact O-N 3Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.36Å; R62-A65 PolarHBondContact O-N 3.38Å; R62-Y66 HydrophobicContact CG-CD2 4.47Å; R62-Y66 HydrophobicContact CG-CE2 4.33Å; R62-Y66 WeakPolarHBondContact O-CB 3.42Å; R62-Y66 PolarHBondContact O-N 3.44Å; R62-Y66 VanDerWaalsContact O-N 3.08Å
63	R	94.4	Very high	93	Very high	133 Å²	133	67 Å²	67	50%	0.502	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-44	178.4	-179.8	172.8	57.7	80.8	-2.5	111.7	E36 K59 M60 D67	E36-R63 IonicContact OE1-CZ 3.76Å; E36-R63 IonicContact OE1-NH1 3.24Å; E36-R63 PolarHBondContact OE1-NH1 3.42Å; E36-R63 IonicContact OE1-NH2 3.88Å; E36-R63 PolarHBondContact OE1-NH2 3.2Å; E36-R63 IonicContact OE2-CZ 3.52Å; E36-R63 IonicContact OE2-NH1 2.69Å; E36-R63 PolarHBondContact OE2-NH1 3.34Å; E36-R63 IonicContact OE2-NH2 2.67Å; K59-R63 PolarHBondContact O-N 3.47Å; M60-R63 PolarHBondContact O-N 3.04Å; R63-D67 PolarHBondContact O-N 3.16Å
64	L	94.1	Very high	92.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-72.4	-41.3	179.7	-66.5	176	0	0	0	112.7	E36 M39 L40 F43 M60 W61 R62 Y66 D67 L70	E36-L64 HydrophobicContact CB-CD2 3.97Å; E36-L64 HydrophobicContact CG-CD2 4.13Å; M39-L64 HydrophobicContact CB-CD1 3.73Å; M39-L64 HydrophobicContact CG-CD1 4.27Å; L40-L64 HydrophobicContact CD2-CB 4.22Å; L40-L64 HydrophobicContact CD2-CD2 4.11Å; L40-L64 WeakPolarHBondContact CD2-O 3.37Å; L40-L64 HydrophobicContact CG-CD2 4.15Å; F43-L64 HydrophobicContact CD2-CB 3.95Å; F43-L64 HydrophobicContact CE2-CB 3.67Å; F43-L64 HydrophobicContact CE2-CD1 4.45Å; M60-L64 HydrophobicContact CE-CD1 4.37Å; M60-L64 HydrophobicContact CG-CD1 4.26Å; M60-L64 WeakPolarHBondContact O-CG 3.45Å; M60-L64 PolarHBondContact O-N 3.44Å; W61-L64 PolarHBondContact O-N 2.82Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.36Å; L64-Y66 PolarHBondContact O-N 3.37Å; L64-D67 WeakPolarHBondContact O-CB 3.49Å; L64-D67 PolarHBondContact O-N 2.68Å; L64-L70 WeakPolarHBondContact O-CD1 3.39Å
65	A	94	Very high	92.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.2	-21.6	177.6	0	0	0	0	0	112.5	F43 I54 A55 W61 R62 W71	F43-A65 HydrophobicContact CD2-CB 4.47Å; F43-A65 HydrophobicContact CE2-CB 4.49Å; I54-A65 HydrophobicContact CD1-CB 3.97Å; I54-A65 HydrophobicContact CG1-CB 4.11Å; A55-A65 HydrophobicContact CB-CB 3.91Å; W61-A65 WeakPolarHBondContact O-CB 3.39Å; W61-A65 PolarHBondContact O-N 3.37Å; R62-A65 PolarHBondContact O-N 3.38Å; A65-W71 PolarHBondContact O-NE1 3.1Å
66	Y	93.1	Very high	92.3	Very high	74 Å²	74	63.8 Å²	63.8	29%	0.29	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.1	174.9	-74.4	15.1	0	0	0	112.6	A55 R62 L64 H68 R98	A55-Y66 HydrophobicContact CB-CD1 4.22Å; A55-Y66 HydrophobicContact CB-CE1 3.7Å; R62-Y66 HydrophobicContact CG-CD2 4.47Å; R62-Y66 HydrophobicContact CG-CE2 4.33Å; R62-Y66 WeakPolarHBondContact O-CB 3.42Å; R62-Y66 PolarHBondContact O-N 3.44Å; R62-Y66 VanDerWaalsContact O-N 3.08Å; L64-Y66 PolarHBondContact O-N 3.37Å; Y66-H68 PolarHBondContact O-N 3.14Å; Y66-R98 HydrophobicContact CD1-CG 4.26Å; Y66-R98 HydrophobicContact CD2-CG 4.3Å; Y66-R98 HydrophobicContact CG-CG 4.15Å; Y66-R98 PolarHBondContact OH-NH2 2.91Å
67	D	92	Very high	91.8	Very high	45 Å²	45	58.4 Å²	58.4	24%	0.241	28%	0.279	C	S	.	.			trans	-61.9	127.3	177.4	-174.9	-81.9	0	0	0	110.5	L40 R63 L64 S69 L70 W71	L40-D67 HydrophobicContact CD2-CB 3.49Å; L40-D67 VanDerWaalsContact CD2-CB 3.49Å; R63-D67 PolarHBondContact O-N 3.16Å; L64-D67 WeakPolarHBondContact O-CB 3.49Å; L64-D67 PolarHBondContact O-N 2.68Å; D67-S69 PolarHBondContact O-N 3.23Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 2.89Å; D67-S69 PolarHBondContact OD1-OG 2.98Å; D67-L70 WeakPolarHBondContact O-CB 3.27Å; D67-L70 PolarHBondContact O-N 3.2Å; D67-W71 VanDerWaalsContact O-CD1 3.32Å
68	H	89.8	Confident	91.4	Very high	99 Å²	99	56.6 Å²	56.6	46%	0.458	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56.7	-22.5	-173.6	67.1	71.6	0	0	0	113.7	Y66 L70 W71 R98	Y66-H68 PolarHBondContact O-N 3.14Å; H68-L70 PolarHBondContact O-N 2.88Å; H68-W71 PolarHBondContact O-N 3.08Å; H68-R98 WeakPolarHBondContact CA-O 3.38Å
69	S	90.3	Very high	90.8	Very high	45 Å²	45	61.3 Å²	61.3	32%	0.315	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66.6	-22.3	177.3	70	0	0	0	0	113.2	D67 Q72	D67-S69 PolarHBondContact O-N 3.23Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 2.89Å; D67-S69 PolarHBondContact OD1-OG 2.98Å; S69-Q72 WeakPolarHBondContact O-CG 3.19Å; S69-Q72 PolarHBondContact O-NE2 3.1Å; S69-Q72 VanDerWaalsContact O-NE2 3.14Å
70	L	92.3	Very high	90.1	Very high	19 Å²	19	60.1 Å²	60.1	10%	0.099	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-86.9	-11.9	176.8	-54.7	-180	0	0	0	113.2	L40 F43 L51 L64 D67 H68	L40-L70 HydrophobicContact CD2-CD1 4.01Å; L40-L70 HydrophobicContact CD2-CG 4.23Å; F43-L70 HydrophobicContact CB-CD1 3.74Å; F43-L70 HydrophobicContact CB-CD2 4.29Å; F43-L70 HydrophobicContact CD2-CD1 4.37Å; L51-L70 HydrophobicContact CD1-CB 4.01Å; L51-L70 HydrophobicContact CD2-CD1 3.91Å; L64-L70 WeakPolarHBondContact O-CD1 3.39Å; D67-L70 WeakPolarHBondContact O-CB 3.27Å; D67-L70 PolarHBondContact O-N 3.2Å; H68-L70 PolarHBondContact O-N 2.88Å
71	W	93.2	Very high	89.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.			trans	-118.9	29.4	-172.6	-62.6	86.7	0	0	0	112.1	H48 L51 A65 D67 H68 S73 L74 I83 L94 R98	H48-W71 HydrophobicContact CB-CH2 4.04Å; H48-W71 HydrophobicContact CB-CZ3 4.06Å; H48-W71 AromaticContact CD2-CE3 3.8Å; H48-W71 AromaticContact CD2-CZ3 3.8Å; L51-W71 HydrophobicContact CB-CZ2 3.87Å; L51-W71 HydrophobicContact CD1-CZ2 4.1Å; A65-W71 PolarHBondContact O-NE1 3.1Å; D67-W71 VanDerWaalsContact O-CD1 3.32Å; H68-W71 PolarHBondContact O-N 3.08Å; W71-S73 VanDerWaalsContact C-N 3.31Å; W71-S73 PolarHBondContact O-N 2.85Å; W71-L74 HydrophobicContact CE3-CD1 4.12Å; W71-L74 HydrophobicContact CZ3-CD1 4.22Å; W71-I83 HydrophobicContact CH2-CD1 3.91Å; W71-I83 HydrophobicContact CZ3-CD1 3.42Å; W71-I83 VanDerWaalsContact CZ3-CD1 3.42Å; W71-L94 HydrophobicContact CZ3-CD2 4.18Å; W71-R98 HydrophobicContact CD2-CB 3.69Å; W71-R98 HydrophobicContact CE3-CB 4.07Å; W71-R98 HydrophobicContact CG-CB 3.84Å
72	Q	93.3	Very high	88.9	Confident	75 Å²	75	58.1 Å²	58.1	35%	0.35	28%	0.281	S	S	.	.	S	Bend	trans	-70.2	-26.7	-179	-63.8	-179.5	26.5	0	0	113.1	S69 G102 R104 C105	S69-Q72 WeakPolarHBondContact O-CG 3.19Å; S69-Q72 PolarHBondContact O-NE2 3.1Å; S69-Q72 VanDerWaalsContact O-NE2 3.14Å; Q72-G102 WeakPolarHBondContact CA-O 3.36Å; Q72-R104 HydrophobicContact CB-CG 4.4Å; Q72-R104 WeakPolarHBondContact O-CA 3.48Å; Q72-R104 WeakPolarHBondContact O-CB 3.34Å; Q72-R104 PolarHBondContact O-N 2.78Å; Q72-C105 PolarHBondContact O-N 3.28Å
73	S	92.3	Very high	88.6	Confident	60 Å²	60	53.4 Å²	53.4	42%	0.42	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.6	174.2	175.5	0	0	0	0	107.7	H48 W71 C105	H48-S73 PolarHBondContact CE1-O 2.83Å; H48-S73 PolarHBondContact NE2-O 3.45Å; W71-S73 VanDerWaalsContact C-N 3.31Å; W71-S73 PolarHBondContact O-N 2.85Å; S73-C105 CarbonylContact C-O 3.26Å; S73-C105 VanDerWaalsContact CA-O 3.3Å; S73-C105 WeakPolarHBondContact CA-O 3.14Å
74	L	91.6	Very high	88.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	103	178.4	-171.4	67.3	0	0	0	109.2	W71 L76 I83 L91 L103 C105 I106	W71-L74 HydrophobicContact CE3-CD1 4.12Å; W71-L74 HydrophobicContact CZ3-CD1 4.22Å; L74-L76 HydrophobicContact CD1-CD2 4.24Å; L74-L76 HydrophobicContact CD2-CD2 3.8Å; L74-L76 HydrophobicContact CD2-CG 4.39Å; L74-L76 HydrophobicContact CG-CD2 3.65Å; L74-L76 HydrophobicContact CG-CG 4.21Å; L74-I83 HydrophobicContact CD1-CD1 3.95Å; L74-L91 HydrophobicContact CD2-CD1 3.72Å; L74-L103 HydrophobicContact CB-CD1 3.88Å; L74-C105 PolarHBondContact N-O 3.23Å; L74-I106 HydrophobicContact CB-CD1 4.45Å; L74-I106 HydrophobicContact CB-CG1 4.19Å; L74-I106 HydrophobicContact CD2-CD1 3.81Å; L74-I106 HydrophobicContact CD2-CG1 4.33Å
75	N	85.5	Confident	88	Confident	37 Å²	37	54 Å²	54	20%	0.198	27%	0.273	C	S	.	.			trans	-86.2	119.4	171.9	-177.8	2.7	0	0	0	109.2	R77 Y80 G82 I83	N75-R77 PolarHBondContact OD1-N 3.15Å; N75-Y80 PolarHBondContact ND2-O 2.54Å; N75-G82 CarbonylContact O-C 3.44Å; N75-G82 WeakPolarHBondContact O-CA 3.44Å; N75-I83 PolarHBondContact O-N 2.65Å
76	L	90	Very high	87.5	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.11	31%	0.308	C	S	.	.			trans	-103.8	7.3	-179.5	-58.8	-176.8	0	0	0	113.4	L74 P78 I83 V85 L91 L108 L112	L74-L76 HydrophobicContact CD1-CD2 4.24Å; L74-L76 HydrophobicContact CD2-CD2 3.8Å; L74-L76 HydrophobicContact CD2-CG 4.39Å; L74-L76 HydrophobicContact CG-CD2 3.65Å; L74-L76 HydrophobicContact CG-CG 4.21Å; L76-P78 WeakPolarHBondContact O-CD 3.15Å; L76-I83 WeakPolarHBondContact CA-O 3.27Å; L76-V85 HydrophobicContact CD2-CG2 3.8Å; L76-L91 HydrophobicContact CD1-CD1 3.99Å; L76-L91 HydrophobicContact CD1-CD2 4.36Å; L76-L91 HydrophobicContact CD2-CD1 4.37Å; L76-L108 HydrophobicContact CD1-CD2 3.94Å; L76-L112 HydrophobicContact CD1-CD1 3.68Å
77	R	83.7	Confident	87.3	Confident	78 Å²	78	61.9 Å²	61.9	29%	0.294	31%	0.309	S	S	.	.			trans	-97.8	103.6	177.8	-64.5	-170.9	-84.1	176	-4.1	111.2	N75 E79 Y80 G82 E107 N516	N75-R77 PolarHBondContact OD1-N 3.15Å; R77-E79 PolarHBondContact O-N 3.06Å; R77-Y80 HydrophobicContact CB-CD2 3.91Å; R77-Y80 PolarHBondContact O-N 3.31Å; R77-Y80 VanDerWaalsContact O-N 3.1Å; R77-G82 VanDerWaalsContact O-CA 3.26Å; R77-G82 WeakPolarHBondContact O-CA 3.34Å; R77-G82 PolarHBondContact O-N 2.96Å; R77-E107 IonicContact CZ-OE2 3.33Å; R77-E107 IonicContact NE-OE2 3.36Å; R77-E107 PolarHBondContact NE-OE2 2.99Å; R77-E107 IonicContact NH2-OE1 3.55Å; R77-E107 IonicContact NH2-OE2 3.26Å; R77-E107 PolarHBondContact NH2-OE2 3.1Å; R77-N516 PolarHBondContact NH1-OXT 3.49Å; R77-N516 VanDerWaalsContact NH1-OXT 3.1Å; R77-N516 PolarHBondContact NH2-OXT 2.8Å; R77-N516 VanDerWaalsContact NH2-OXT 3.11Å
78	P	83.7	Confident	87.3	Confident	54 Å²	54	62.6 Å²	62.6	35%	0.351	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.9	-30.8	-174.6	-22.8	34.9	0	0	0	113.8	L76 Y80 G81 F84	L76-P78 WeakPolarHBondContact O-CD 3.15Å; P78-Y80 PolarHBondContact O-N 3.27Å; P78-G81 PolarHBondContact O-N 2.92Å; P78-G81 VanDerWaalsContact O-N 3.13Å; P78-F84 HydrophobicContact CB-CB 4.46Å; P78-F84 HydrophobicContact CG-CB 3.69Å; P78-F84 HydrophobicContact CG-CD2 3.73Å; P78-F84 HydrophobicContact CG-CG 4.15Å
79	E	80.6	Confident	87.5	Confident	148 Å²	148	63 Å²	63	69%	0.692	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.5	-23.5	179.8	-49	74.1	-154.4	0	0	111.8	R77	R77-E79 PolarHBondContact O-N 3.06Å
80	Y	77.8	Confident	87.7	Confident	165 Å²	165	64.5 Å²	64.5	65%	0.647	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-110.7	26.7	179.4	-58.4	-75.2	0	0	0	112.5	N75 R77 P78 G82	N75-Y80 PolarHBondContact ND2-O 2.54Å; R77-Y80 HydrophobicContact CB-CD2 3.91Å; R77-Y80 PolarHBondContact O-N 3.31Å; R77-Y80 VanDerWaalsContact O-N 3.1Å; P78-Y80 PolarHBondContact O-N 3.27Å; Y80-G82 VanDerWaalsContact C-N 3.29Å; Y80-G82 PolarHBondContact O-N 2.95Å
81	G	76.6	Confident	87.8	Confident	41 Å²	41	63.6 Å²	63.6	42%	0.423	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	14.3	179	0	0	0	0	0	114.4	P78	P78-G81 PolarHBondContact O-N 2.92Å; P78-G81 VanDerWaalsContact O-N 3.13Å
82	G	84.8	Confident	87.9	Confident	5 Å²	5	65.2 Å²	65.2	5%	0.052	32%	0.323	C	S	.	.			trans	-74.7	174.9	174.8	0	0	0	0	0	113.8	N75 R77 Y80	N75-G82 CarbonylContact O-C 3.44Å; N75-G82 WeakPolarHBondContact O-CA 3.44Å; R77-G82 VanDerWaalsContact O-CA 3.26Å; R77-G82 WeakPolarHBondContact O-CA 3.34Å; R77-G82 PolarHBondContact O-N 2.96Å; Y80-G82 VanDerWaalsContact C-N 3.29Å; Y80-G82 PolarHBondContact O-N 2.95Å
83	I	86.8	Confident	87.9	Confident	20 Å²	20	65.7 Å²	65.7	10%	0.103	33%	0.328	C	S	.	.			trans	-89.7	126.4	175.2	-57.7	170	0	0	0	108.6	H48 W71 L74 N75 L76 V85 L94	H48-I83 HydrophobicContact CB-CD1 3.37Å; H48-I83 HydrophobicContact CB-CG1 3.34Å; W71-I83 HydrophobicContact CH2-CD1 3.91Å; W71-I83 HydrophobicContact CZ3-CD1 3.42Å; W71-I83 VanDerWaalsContact CZ3-CD1 3.42Å; L74-I83 HydrophobicContact CD1-CD1 3.95Å; N75-I83 PolarHBondContact O-N 2.65Å; L76-I83 WeakPolarHBondContact CA-O 3.27Å; I83-V85 HydrophobicContact CG2-CG2 4.32Å; I83-V85 PolarHBondContact O-N 2.78Å; I83-L94 HydrophobicContact CD1-CD1 4.15Å; I83-L94 HydrophobicContact CD1-CD2 4.28Å; I83-L94 HydrophobicContact CG2-CD1 4.19Å
84	F	88.2	Confident	87.9	Confident	130 Å²	130	63.4 Å²	63.4	57%	0.57	31%	0.311	S	S	*	.			trans	-73.9	117.3	166.7	-173.4	-120.5	0	0	0	110	P78 R86	P78-F84 HydrophobicContact CB-CB 4.46Å; P78-F84 HydrophobicContact CG-CB 3.69Å; P78-F84 HydrophobicContact CG-CD2 3.73Å; P78-F84 HydrophobicContact CG-CG 4.15Å; F84-R86 HydrophobicContact CD1-CG 3.72Å; F84-R86 HydrophobicContact CE1-CG 3.38Å; F84-R86 HydrophobicContact CZ-CG 4.22Å
85	V	87.8	Confident	88	Confident	18 Å²	18	63.4 Å²	63.4	11%	0.109	31%	0.311	C	S	.	.			trans	-104.7	121	175	171.4	0	0	0	0	107.8	L76 I83 S87 E90 L91 L94 L112	L76-V85 HydrophobicContact CD2-CG2 3.8Å; I83-V85 HydrophobicContact CG2-CG2 4.32Å; I83-V85 PolarHBondContact O-N 2.78Å; V85-S87 WeakPolarHBondContact CG1-O 3.43Å; V85-E90 HydrophobicContact CG1-CB 3.96Å; V85-L91 HydrophobicContact CG1-CB 3.84Å; V85-L94 HydrophobicContact CG2-CD1 3.84Å; V85-L112 HydrophobicContact CG1-CD2 4.2Å
86	R	83.8	Confident	88.3	Confident	194 Å²	194	65.7 Å²	65.7	73%	0.732	32%	0.32	S	S	*	.			trans	-90.3	-20.4	-177	-65.8	172.7	-177.5	178.2	0.8	113.7	F84 E90	F84-R86 HydrophobicContact CD1-CG 3.72Å; F84-R86 HydrophobicContact CE1-CG 3.38Å; F84-R86 HydrophobicContact CZ-CG 4.22Å; R86-E90 PolarHBondContact N-OE2 3.36Å
87	S	88.6	Confident	88.3	Confident	45 Å²	45	69.8 Å²	69.8	32%	0.315	34%	0.339	S	S	.	.	S	Bend	trans	-149.6	158.9	-177.1	70.1	0	0	0	0	111.4	V85 D89 E90 L91	V85-S87 WeakPolarHBondContact CG1-O 3.43Å; S87-D89 PolarHBondContact O-N 3.05Å; S87-E90 WeakPolarHBondContact O-CB 3.47Å; S87-E90 PolarHBondContact O-N 3.3Å; S87-E90 VanDerWaalsContact O-N 3.11Å; S87-E90 PolarHBondContact OG-N 3.34Å; S87-L91 PolarHBondContact O-N 3Å
88	I	92.6	Very high	88.6	Confident	60 Å²	60	68.1 Å²	68.1	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-55.2	-41.2	173.4	-66.6	165.4	0	0	0	110.7	E90 L91 L92 T114 V117	I88-E90 VanDerWaalsContact C-N 3.3Å; I88-E90 PolarHBondContact O-N 3.16Å; I88-L91 PolarHBondContact O-N 2.94Å; I88-L91 VanDerWaalsContact O-N 3.1Å; I88-L92 HydrophobicContact CG2-CD1 3.82Å; I88-L92 HydrophobicContact CG2-CG 4.07Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.46Å; I88-T114 HydrophobicContact CD1-CG2 3.74Å; I88-T114 HydrophobicContact CG1-CG2 4.43Å; I88-V117 HydrophobicContact CG2-CG2 3.78Å
89	D	94.7	Very high	88.9	Confident	108 Å²	108	65.6 Å²	65.6	58%	0.578	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-36.5	178.5	-64.2	-46.4	0	0	0	113	S87 N93	S87-D89 PolarHBondContact O-N 3.05Å; D89-N93 WeakPolarHBondContact O-CB 3.39Å; D89-N93 VanDerWaalsContact O-CG 3.27Å; D89-N93 PolarHBondContact O-N 2.87Å; D89-N93 PolarHBondContact O-ND2 3.36Å
90	E	93	Very high	89.2	Confident	75 Å²	75	59.1 Å²	59.1	35%	0.35	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-42	175.7	-75.4	-179	-178.5	0	0	111	V85 R86 S87 I88 N93 L94	V85-E90 HydrophobicContact CG1-CB 3.96Å; R86-E90 PolarHBondContact N-OE2 3.36Å; S87-E90 WeakPolarHBondContact O-CB 3.47Å; S87-E90 PolarHBondContact O-N 3.3Å; S87-E90 VanDerWaalsContact O-N 3.11Å; S87-E90 PolarHBondContact OG-N 3.34Å; I88-E90 VanDerWaalsContact C-N 3.3Å; I88-E90 PolarHBondContact O-N 3.16Å; E90-N93 PolarHBondContact O-N 3.14Å; E90-L94 VanDerWaalsContact O-CG 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.36Å; E90-L94 PolarHBondContact O-N 2.87Å
91	L	94.9	Very high	89.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-45.9	176.3	-178.7	55.2	0	0	0	111.9	L74 L76 V85 S87 I88 N93 L94 I95 I106 L108 L112 V117	L74-L91 HydrophobicContact CD2-CD1 3.72Å; L76-L91 HydrophobicContact CD1-CD1 3.99Å; L76-L91 HydrophobicContact CD1-CD2 4.36Å; L76-L91 HydrophobicContact CD2-CD1 4.37Å; V85-L91 HydrophobicContact CG1-CB 3.84Å; S87-L91 PolarHBondContact O-N 3Å; I88-L91 PolarHBondContact O-N 2.94Å; I88-L91 VanDerWaalsContact O-N 3.1Å; L91-N93 VanDerWaalsContact C-N 3.28Å; L91-N93 PolarHBondContact O-N 2.9Å; L91-L94 WeakPolarHBondContact O-CB 3.05Å; L91-L94 PolarHBondContact O-N 2.91Å; L91-L94 VanDerWaalsContact O-N 3.1Å; L91-I95 HydrophobicContact CD1-CD1 4.11Å; L91-I95 HydrophobicContact CD1-CG1 4.28Å; L91-I95 HydrophobicContact CG-CD1 3.96Å; L91-I95 WeakPolarHBondContact O-CG1 3.37Å; L91-I95 PolarHBondContact O-N 2.95Å; L91-I106 HydrophobicContact CD1-CD1 4.43Å; L91-L108 HydrophobicContact CD2-CD2 3.95Å; L91-L112 HydrophobicContact CD2-CB 4.29Å; L91-L112 HydrophobicContact CD2-CD1 4.41Å; L91-L112 HydrophobicContact CD2-CD2 4.37Å; L91-V117 HydrophobicContact CD2-CG1 3.64Å; L91-V117 HydrophobicContact CD2-CG2 3.98Å; L91-V117 HydrophobicContact CG-CG1 4.46Å
92	L	96.2	Very high	90.5	Very high	35 Å²	35	52.9 Å²	52.9	18%	0.183	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-43.2	176.8	-67.1	176.6	0	0	0	110.8	I88 L94 I95 H96 P116 V117 E120	I88-L92 HydrophobicContact CG2-CD1 3.82Å; I88-L92 HydrophobicContact CG2-CG 4.07Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.46Å; L92-L94 PolarHBondContact O-N 3.23Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-H96 WeakPolarHBondContact O-CB 3.07Å; L92-H96 PolarHBondContact O-N 3.34Å; L92-P116 HydrophobicContact CD1-CB 4.21Å; L92-V117 HydrophobicContact CD2-CG2 4.32Å; L92-E120 HydrophobicContact CD2-CB 3.57Å; L92-E120 HydrophobicContact CD2-CG 3.8Å
93	N	93.1	Very high	91	Very high	85 Å²	85	52.6 Å²	52.6	46%	0.455	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-36.5	175.7	-78.1	-52	0	0	0	113.2	D89 E90 L91 H97	D89-N93 WeakPolarHBondContact O-CB 3.39Å; D89-N93 VanDerWaalsContact O-CG 3.27Å; D89-N93 PolarHBondContact O-N 2.87Å; D89-N93 PolarHBondContact O-ND2 3.36Å; E90-N93 PolarHBondContact O-N 3.14Å; L91-N93 VanDerWaalsContact C-N 3.28Å; L91-N93 PolarHBondContact O-N 2.9Å; N93-H97 WeakPolarHBondContact O-CB 3.48Å; N93-H97 PolarHBondContact O-CD2 2.83Å; N93-H97 PolarHBondContact O-N 3.09Å
94	L	92.4	Very high	91.4	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-47	174.5	-72.4	171.9	0	0	0	111.4	W71 I83 V85 E90 L91 L92 R98 S99	W71-L94 HydrophobicContact CZ3-CD2 4.18Å; I83-L94 HydrophobicContact CD1-CD1 4.15Å; I83-L94 HydrophobicContact CD1-CD2 4.28Å; I83-L94 HydrophobicContact CG2-CD1 4.19Å; V85-L94 HydrophobicContact CG2-CD1 3.84Å; E90-L94 VanDerWaalsContact O-CG 3.32Å; E90-L94 WeakPolarHBondContact O-CG 3.36Å; E90-L94 PolarHBondContact O-N 2.87Å; L91-L94 WeakPolarHBondContact O-CB 3.05Å; L91-L94 PolarHBondContact O-N 2.91Å; L91-L94 VanDerWaalsContact O-N 3.1Å; L92-L94 PolarHBondContact O-N 3.23Å; L94-R98 VanDerWaalsContact CD2-CZ 3.41Å; L94-R98 WeakPolarHBondContact O-CB 3.29Å; L94-R98 PolarHBondContact O-N 3.43Å; L94-S99 PolarHBondContact O-N 3.44Å; L94-S99 VanDerWaalsContact O-N 3.16Å
95	I	93.9	Very high	91.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-61.9	-47.8	177.1	-65	165	0	0	0	109.6	L91 L92 G100 E120 L121	L91-I95 HydrophobicContact CD1-CD1 4.11Å; L91-I95 HydrophobicContact CD1-CG1 4.28Å; L91-I95 HydrophobicContact CG-CD1 3.96Å; L91-I95 WeakPolarHBondContact O-CG1 3.37Å; L91-I95 PolarHBondContact O-N 2.95Å; L92-I95 PolarHBondContact O-N 3.46Å; I95-G100 VanDerWaalsContact O-CA 3.25Å; I95-G100 WeakPolarHBondContact O-CA 3.26Å; I95-G100 PolarHBondContact O-N 3.5Å; I95-E120 HydrophobicContact CB-CG 4.25Å; I95-E120 HydrophobicContact CG2-CG 3.79Å; I95-L121 HydrophobicContact CD1-CD2 3.68Å; I95-L121 HydrophobicContact CD1-CG 4.13Å; I95-L121 HydrophobicContact CG1-CD2 4.26Å
96	H	92	Very high	92.1	Very high	85 Å²	85	50.9 Å²	50.9	39%	0.394	25%	0.252	S	S	.	.	I	π-helix	trans	-66	-43.6	-174.6	-165.7	91.9	0	0	0	113.4	L92 E120 R124	L92-H96 WeakPolarHBondContact O-CB 3.07Å; L92-H96 PolarHBondContact O-N 3.34Å; H96-E120 IonicContact ND1-OE1 3.78Å; H96-E120 PolarHBondContact ND1-OE1 2.99Å; H96-R124 PolarHBondContact CE1-NH2 2.82Å; H96-R124 VanDerWaalsContact CE1-NH2 3.34Å; H96-R124 VanDerWaalsContact ND1-CZ 3.32Å; H96-R124 PolarHBondContact ND1-NE 3.47Å; H96-R124 VanDerWaalsContact ND1-NE 3.2Å
97	H	89.2	Confident	92.5	Very high	108 Å²	108	43.1 Å²	43.1	50%	0.5	22%	0.224	S	C	.	.	I	π-helix	trans	-101.9	-11.1	-169.6	-67.3	-61.2	0	0	0	115.2	N93	N93-H97 WeakPolarHBondContact O-CB 3.48Å; N93-H97 PolarHBondContact O-CD2 2.83Å; N93-H97 PolarHBondContact O-N 3.09Å
98	R	90.2	Very high	92.7	Very high	42 Å²	42	41 Å²	41	16%	0.158	21%	0.21	C	C	.	.	I	π-helix	trans	-132.1	-58.5	-171	-47.9	-175.9	-171.6	177.3	1.3	112.8	C52 Y66 H68 W71 L94	C52-R98 PolarHBondContact SG-NH1 3.19Å; Y66-R98 HydrophobicContact CD1-CG 4.26Å; Y66-R98 HydrophobicContact CD2-CG 4.3Å; Y66-R98 HydrophobicContact CG-CG 4.15Å; Y66-R98 PolarHBondContact OH-NH2 2.91Å; H68-R98 WeakPolarHBondContact CA-O 3.38Å; W71-R98 HydrophobicContact CD2-CB 3.69Å; W71-R98 HydrophobicContact CE3-CB 4.07Å; W71-R98 HydrophobicContact CG-CB 3.84Å; L94-R98 VanDerWaalsContact CD2-CZ 3.41Å; L94-R98 WeakPolarHBondContact O-CB 3.29Å; L94-R98 PolarHBondContact O-N 3.43Å
99	S	89.6	Confident	92.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.213	C	C	.	.	I	π-helix	trans	-81.8	-58	-173.3	-44.6	0	0	0	0	111.9	L94 S101 G102 L103	L94-S99 PolarHBondContact O-N 3.44Å; L94-S99 VanDerWaalsContact O-N 3.16Å; S99-S101 PolarHBondContact O-N 3.24Å; S99-G102 WeakPolarHBondContact O-CA 3.24Å; S99-G102 PolarHBondContact O-N 3.47Å; S99-L103 PolarHBondContact O-N 2.94Å
100	G	87.4	Confident	92.4	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	39.1	-126.4	178.6	0	0	0	0	0	113.6	I95 G102 L103 R124 C125	I95-G100 VanDerWaalsContact O-CA 3.25Å; I95-G100 WeakPolarHBondContact O-CA 3.26Å; I95-G100 PolarHBondContact O-N 3.5Å; G100-G102 PolarHBondContact O-N 3.21Å; G100-L103 WeakPolarHBondContact O-CB 3.38Å; G100-L103 PolarHBondContact O-N 3.24Å; G100-L103 VanDerWaalsContact O-N 3.14Å; G100-R124 CarbonylContact C-O 3.51Å; G100-C125 PolarHBondContact O-SG 2.99Å; G100-C125 VanDerWaalsContact O-SG 3.36Å
101	S	89.9	Confident	92.3	Very high	67 Å²	67	39 Å²	39	47%	0.469	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-68.6	-12.2	-179.5	62.9	0	0	0	0	114.6	S99 R124 N127	S99-S101 PolarHBondContact O-N 3.24Å; S101-R124 WeakPolarHBondContact CA-O 3.36Å; S101-R124 PolarHBondContact N-O 2.89Å; S101-R124 VanDerWaalsContact N-O 3.16Å; S101-N127 WeakPolarHBondContact O-CB 3.49Å; S101-N127 PolarHBondContact O-ND2 3.13Å
102	G	90.7	Very high	92.2	Very high	7 Å²	7	40 Å²	40	7%	0.072	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-82.9	-16.2	173.9	0	0	0	0	0	113.9	Q72 S99 G100 R104	Q72-G102 WeakPolarHBondContact CA-O 3.36Å; S99-G102 WeakPolarHBondContact O-CA 3.24Å; S99-G102 PolarHBondContact O-N 3.47Å; G100-G102 PolarHBondContact O-N 3.21Å; G102-R104 PolarHBondContact O-N 3.1Å
103	L	95.4	Very high	92	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.			trans	-64.3	129.4	-177.5	-169.3	64.8	0	0	0	110.9	L74 S99 G100 C105 I106 L121 C125 N127 L128	L74-L103 HydrophobicContact CB-CD1 3.88Å; S99-L103 PolarHBondContact O-N 2.94Å; G100-L103 WeakPolarHBondContact O-CB 3.38Å; G100-L103 PolarHBondContact O-N 3.24Å; G100-L103 VanDerWaalsContact O-N 3.14Å; L103-C105 WeakPolarHBondContact CD1-O 3.5Å; L103-I106 HydrophobicContact CD2-CB 4.27Å; L103-I106 HydrophobicContact CD2-CD1 4.24Å; L103-I106 HydrophobicContact CD2-CG2 4.46Å; L103-L121 HydrophobicContact CD2-CD2 3.65Å; L103-C125 HydrophobicContact CB-CB 4.22Å; L103-C125 HydrophobicContact CD2-CB 4.3Å; L103-N127 CarbonylContact O-C 3.58Å; L103-L128 HydrophobicContact CD2-CD1 4.11Å; L103-L128 HydrophobicContact CG-CD1 3.97Å; L103-L128 WeakPolarHBondContact O-CA 3.38Å; L103-L128 PolarHBondContact O-N 3.28Å
104	R	95.8	Very high	92.1	Very high	101 Å²	101	34.7 Å²	34.7	38%	0.381	19%	0.185	S	C	.	.			trans	-123	-29.3	-179.9	-62.9	-177.1	-179.5	-146	-0.8	113	Q72 G102 R129 Y130	Q72-R104 HydrophobicContact CB-CG 4.4Å; Q72-R104 WeakPolarHBondContact O-CA 3.48Å; Q72-R104 WeakPolarHBondContact O-CB 3.34Å; Q72-R104 PolarHBondContact O-N 2.78Å; G102-R104 PolarHBondContact O-N 3.1Å; R104-R129 PolarHBondContact O-N 3.05Å; R104-Y130 PolarHBondContact O-N 3.06Å
105	C	95.4	Very high	92.3	Very high	30 Å²	30	36 Å²	36	20%	0.203	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.9	-177.2	177.2	0	0	0	0	110.8	Q72 S73 L74 L103 Y130	Q72-C105 PolarHBondContact O-N 3.28Å; S73-C105 CarbonylContact C-O 3.26Å; S73-C105 VanDerWaalsContact CA-O 3.3Å; S73-C105 WeakPolarHBondContact CA-O 3.14Å; L74-C105 PolarHBondContact N-O 3.23Å; L103-C105 WeakPolarHBondContact CD1-O 3.5Å; C105-Y130 WeakPolarHBondContact CA-O 3.42Å; C105-Y130 HydrophobicContact CB-CD2 4.49Å
106	I	95.2	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	141	172.1	-168.1	170.4	0	0	0	110.3	L74 L91 L103 L108 L121 L128 Y130 L131 T132	L74-I106 HydrophobicContact CB-CD1 4.45Å; L74-I106 HydrophobicContact CB-CG1 4.19Å; L74-I106 HydrophobicContact CD2-CD1 3.81Å; L74-I106 HydrophobicContact CD2-CG1 4.33Å; L91-I106 HydrophobicContact CD1-CD1 4.43Å; L103-I106 HydrophobicContact CD2-CB 4.27Å; L103-I106 HydrophobicContact CD2-CD1 4.24Å; L103-I106 HydrophobicContact CD2-CG2 4.46Å; I106-L108 HydrophobicContact CD1-CD2 3.71Å; I106-L108 HydrophobicContact CG1-CD2 3.91Å; I106-L108 HydrophobicContact CG1-CG 4.44Å; I106-L121 HydrophobicContact CD1-CD2 4.07Å; I106-L121 HydrophobicContact CG2-CD1 4.26Å; I106-L121 HydrophobicContact CG2-CD2 4.41Å; I106-L128 HydrophobicContact CB-CD1 4.45Å; I106-L128 HydrophobicContact CG2-CD1 3.8Å; I106-L128 HydrophobicContact CG2-CD2 4.17Å; I106-Y130 PolarHBondContact N-O 3.08Å; I106-Y130 VanDerWaalsContact N-O 3.08Å; I106-L131 HydrophobicContact CG2-CD1 3.52Å; I106-L131 WeakPolarHBondContact O-CA 3.43Å; I106-T132 PolarHBondContact O-N 3Å; I106-T132 VanDerWaalsContact O-N 3.1Å
107	E	92.7	Very high	92.6	Very high	31 Å²	31	35 Å²	35	15%	0.145	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.7	172.8	-60.4	176	-176	0	0	107.7	R77 N516	R77-E107 IonicContact CZ-OE2 3.33Å; R77-E107 IonicContact NE-OE2 3.36Å; R77-E107 PolarHBondContact NE-OE2 2.99Å; R77-E107 IonicContact NH2-OE1 3.55Å; R77-E107 IonicContact NH2-OE2 3.26Å; R77-E107 PolarHBondContact NH2-OE2 3.1Å; E107-N516 WeakPolarHBondContact OE1-CB 3.24Å; E107-N516 PolarHBondContact OE1-ND2 3.31Å
108	L	93.3	Very high	92.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124	179.5	-59	-179.9	0	0	0	109.5	L76 L91 I106 L112 V113 V117 L118 L121 L131 T132 L133 D134	L76-L108 HydrophobicContact CD1-CD2 3.94Å; L91-L108 HydrophobicContact CD2-CD2 3.95Å; I106-L108 HydrophobicContact CD1-CD2 3.71Å; I106-L108 HydrophobicContact CG1-CD2 3.91Å; I106-L108 HydrophobicContact CG1-CG 4.44Å; L108-L112 HydrophobicContact CB-CB 4.47Å; L108-L112 HydrophobicContact CD2-CB 4.3Å; L108-V113 HydrophobicContact CB-CG2 3.76Å; L108-V113 HydrophobicContact CD1-CG2 4.36Å; L108-V117 HydrophobicContact CD1-CG1 3.99Å; L108-V117 HydrophobicContact CD2-CG1 4.39Å; L108-L118 HydrophobicContact CD1-CD2 4.33Å; L108-L121 HydrophobicContact CD1-CD1 3.96Å; L108-L131 HydrophobicContact CD1-CD1 4.4Å; L108-T132 PolarHBondContact N-O 3.25Å; L108-L133 HydrophobicContact CB-CD2 4.37Å; L108-L133 HydrophobicContact CD1-CD2 3.98Å; L108-D134 PolarHBondContact O-N 3.1Å
109	S	90.5	Very high	93.3	Very high	53 Å²	53	30.1 Å²	30.1	37%	0.371	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	159	163.5	58.3	0	0	0	0	110.5	D111 L112 V113 D134	S109-D111 PolarHBondContact O-N 3.36Å; S109-D111 VanDerWaalsContact O-N 3.1Å; S109-L112 PolarHBondContact O-N 2.72Å; S109-V113 WeakPolarHBondContact O-CG2 3.47Å; S109-V113 PolarHBondContact O-N 2.82Å; S109-D134 CarbonylContact C-O 3.25Å
110	S	90	Very high	93.6	Very high	22 Å²	22	31.7 Å²	31.7	15%	0.154	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-44.4	-45.9	-178.8	55.4	0	0	0	0	113.6	L112 V113 D134	S110-L112 PolarHBondContact O-N 3.46Å; S110-V113 PolarHBondContact O-N 2.86Å; S110-V113 VanDerWaalsContact O-N 3.08Å; S110-D134 WeakPolarHBondContact CA-O 3.36Å; S110-D134 WeakPolarHBondContact CB-O 3.37Å; S110-D134 PolarHBondContact N-O 3.14Å
111	D	90.1	Very high	94.1	Very high	126 Å²	126	31 Å²	31	67%	0.674	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-66.3	-21	-176.9	-59.4	-14.9	0	0	0	113.6	S109	S109-D111 PolarHBondContact O-N 3.36Å; S109-D111 VanDerWaalsContact O-N 3.1Å
112	L	92.4	Very high	94.4	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.105	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-96.6	-12.1	177.6	-62.3	177.4	0	0	0	112.5	L76 V85 L91 L108 S109 S110 T114	L76-L112 HydrophobicContact CD1-CD1 3.68Å; V85-L112 HydrophobicContact CG1-CD2 4.2Å; L91-L112 HydrophobicContact CD2-CB 4.29Å; L91-L112 HydrophobicContact CD2-CD1 4.41Å; L91-L112 HydrophobicContact CD2-CD2 4.37Å; L108-L112 HydrophobicContact CB-CB 4.47Å; L108-L112 HydrophobicContact CD2-CB 4.3Å; S109-L112 PolarHBondContact O-N 2.72Å; S110-L112 PolarHBondContact O-N 3.46Å; L112-T114 PolarHBondContact O-N 3.41Å
113	V	93.3	Very high	94.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.184	C	C	.	.			trans	-79.7	90.9	175.2	-170.4	0	0	0	0	109.1	L108 S109 S110 L118 L133 F135 F144	L108-V113 HydrophobicContact CB-CG2 3.76Å; L108-V113 HydrophobicContact CD1-CG2 4.36Å; S109-V113 WeakPolarHBondContact O-CG2 3.47Å; S109-V113 PolarHBondContact O-N 2.82Å; S110-V113 PolarHBondContact O-N 2.86Å; S110-V113 VanDerWaalsContact O-N 3.08Å; V113-L118 HydrophobicContact CG1-CD1 4.02Å; V113-L118 HydrophobicContact CG1-CD2 4.23Å; V113-L118 HydrophobicContact CG1-CG 4.31Å; V113-L133 HydrophobicContact CG1-CD2 4.22Å; V113-L133 HydrophobicContact CG2-CB 4.43Å; V113-L133 HydrophobicContact CG2-CD2 3.94Å; V113-F135 HydrophobicContact CB-CE1 3.95Å; V113-F135 HydrophobicContact CB-CZ 4Å; V113-F135 HydrophobicContact CG1-CE1 4.01Å; V113-F135 HydrophobicContact CG1-CZ 3.64Å; V113-F135 HydrophobicContact CG2-CE1 4.19Å; V113-F135 HydrophobicContact CG2-CZ 4.08Å; V113-F144 HydrophobicContact CG1-CZ 4.1Å; V113-F144 WeakPolarHBondContact O-CZ 3.04Å
114	T	94.2	Very high	94.6	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	21%	0.205	C	C	.	.			trans	-133.8	159.3	-179.1	61.7	0	0	0	0	110.9	I88 L112 V117 L118	I88-T114 HydrophobicContact CD1-CG2 3.74Å; I88-T114 HydrophobicContact CG1-CG2 4.43Å; L112-T114 PolarHBondContact O-N 3.41Å; T114-V117 PolarHBondContact O-N 2.9Å; T114-V117 WeakPolarHBondContact OG1-CG2 3.49Å; T114-L118 WeakPolarHBondContact O-CG 3.36Å; T114-L118 PolarHBondContact O-N 3.23Å
115	I	96.3	Very high	94.6	Very high	38 Å²	38	34.1 Å²	34.1	20%	0.195	19%	0.187	C	C	.	.	H	α-helix	trans	-51	-52.6	179.3	-65.5	175.1	0	0	0	111.7	V117 L118 E119 D143 F144 E146 L147	I115-V117 VanDerWaalsContact C-N 3.28Å; I115-V117 PolarHBondContact O-N 3.49Å; I115-L118 PolarHBondContact O-N 3.02Å; I115-E119 HydrophobicContact CG2-CG 4.07Å; I115-E119 WeakPolarHBondContact O-CB 3.06Å; I115-E119 WeakPolarHBondContact O-CG 3.19Å; I115-E119 PolarHBondContact O-N 3.18Å; I115-D143 WeakPolarHBondContact CD1-O 3.31Å; I115-F144 HydrophobicContact CG1-CD1 3.71Å; I115-F144 HydrophobicContact CG1-CE1 4.13Å; I115-E146 HydrophobicContact CD1-CB 4.18Å; I115-L147 HydrophobicContact CB-CD1 4.49Å; I115-L147 HydrophobicContact CG1-CB 4.42Å; I115-L147 HydrophobicContact CG1-CD1 4.48Å; I115-L147 HydrophobicContact CG2-CD1 4.15Å
116	P	96.3	Very high	94.5	Very high	65 Å²	65	36.4 Å²	36.4	42%	0.422	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-37.8	-177.2	-24.6	35.7	0	0	0	113.2	L92 E120	L92-P116 HydrophobicContact CD1-CB 4.21Å; P116-E120 VanDerWaalsContact O-CB 3.24Å; P116-E120 WeakPolarHBondContact O-CB 3.41Å; P116-E120 PolarHBondContact O-N 3.27Å
117	V	96.3	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-47.8	179.2	175.5	0	0	0	0	110.7	I88 L91 L92 L108 T114 I115 E119 E120 L121	I88-V117 HydrophobicContact CG2-CG2 3.78Å; L91-V117 HydrophobicContact CD2-CG1 3.64Å; L91-V117 HydrophobicContact CD2-CG2 3.98Å; L91-V117 HydrophobicContact CG-CG1 4.46Å; L92-V117 HydrophobicContact CD2-CG2 4.32Å; L108-V117 HydrophobicContact CD1-CG1 3.99Å; L108-V117 HydrophobicContact CD2-CG1 4.39Å; T114-V117 PolarHBondContact O-N 2.9Å; T114-V117 WeakPolarHBondContact OG1-CG2 3.49Å; I115-V117 VanDerWaalsContact C-N 3.28Å; I115-V117 PolarHBondContact O-N 3.49Å; V117-E119 VanDerWaalsContact C-N 3.34Å; V117-E119 PolarHBondContact O-N 3.26Å; V117-E120 PolarHBondContact O-N 2.82Å; V117-L121 HydrophobicContact CG1-CD1 4.23Å; V117-L121 VanDerWaalsContact O-CG 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.21Å
118	L	96.8	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-40.4	-179.8	-67.5	-176.3	0	0	0	112.1	L108 V113 T114 I115 L121 G122 L133 F144 L147 F150 L170	L108-L118 HydrophobicContact CD1-CD2 4.33Å; V113-L118 HydrophobicContact CG1-CD1 4.02Å; V113-L118 HydrophobicContact CG1-CD2 4.23Å; V113-L118 HydrophobicContact CG1-CG 4.31Å; T114-L118 WeakPolarHBondContact O-CG 3.36Å; T114-L118 PolarHBondContact O-N 3.23Å; I115-L118 PolarHBondContact O-N 3.02Å; L118-L121 PolarHBondContact O-N 3.33Å; L118-G122 PolarHBondContact O-N 3.42Å; L118-L133 HydrophobicContact CD2-CD2 4.28Å; L118-F144 HydrophobicContact CD1-CD1 4.15Å; L118-F144 HydrophobicContact CD1-CE1 3.67Å; L118-F144 HydrophobicContact CD1-CZ 4.46Å; L118-L147 HydrophobicContact CB-CD1 3.85Å; L118-L147 HydrophobicContact CD1-CD1 4.34Å; L118-L147 HydrophobicContact CD1-CD2 4.01Å; L118-F150 HydrophobicContact CB-CD2 4.42Å; L118-F150 HydrophobicContact CD1-CD2 4.33Å; L118-F150 HydrophobicContact CD1-CE2 4.42Å; L118-F150 HydrophobicContact CD2-CD2 4.26Å; L118-F150 HydrophobicContact CD2-CE2 3.96Å; L118-L170 HydrophobicContact CD1-CD1 3.79Å
119	E	97.2	Very high	94.8	Very high	48 Å²	48	42.6 Å²	42.6	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-41	176.2	-68.3	-173.3	159	0	0	112.2	I115 V117 L121 G122 N123 L147 A148	I115-E119 HydrophobicContact CG2-CG 4.07Å; I115-E119 WeakPolarHBondContact O-CB 3.06Å; I115-E119 WeakPolarHBondContact O-CG 3.19Å; I115-E119 PolarHBondContact O-N 3.18Å; V117-E119 VanDerWaalsContact C-N 3.34Å; V117-E119 PolarHBondContact O-N 3.26Å; E119-L121 VanDerWaalsContact C-N 3.32Å; E119-L121 PolarHBondContact O-N 3.14Å; E119-G122 PolarHBondContact O-N 3.17Å; E119-N123 VanDerWaalsContact O-CB 3.24Å; E119-N123 WeakPolarHBondContact O-CB 3.46Å; E119-N123 PolarHBondContact O-N 2.77Å; E119-N123 PolarHBondContact O-ND2 2.92Å; E119-N123 VanDerWaalsContact O-ND2 3.09Å; E119-L147 HydrophobicContact CG-CD1 3.73Å; E119-A148 WeakPolarHBondContact OE1-CB 3.49Å; E119-A148 PolarHBondContact OE1-N 3.35Å
120	E	96.9	Very high	95.1	Very high	33 Å²	33	45.5 Å²	45.5	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-40.1	176.2	-172.4	72.6	175.3	0	0	111	L92 I95 H96 P116 V117 N123 R124	L92-E120 HydrophobicContact CD2-CB 3.57Å; L92-E120 HydrophobicContact CD2-CG 3.8Å; I95-E120 HydrophobicContact CB-CG 4.25Å; I95-E120 HydrophobicContact CG2-CG 3.79Å; H96-E120 IonicContact ND1-OE1 3.78Å; H96-E120 PolarHBondContact ND1-OE1 2.99Å; P116-E120 VanDerWaalsContact O-CB 3.24Å; P116-E120 WeakPolarHBondContact O-CB 3.41Å; P116-E120 PolarHBondContact O-N 3.27Å; V117-E120 PolarHBondContact O-N 2.82Å; E120-N123 PolarHBondContact O-N 2.64Å; E120-R124 VanDerWaalsContact CD-NE 3.32Å; E120-R124 WeakPolarHBondContact O-CB 3.42Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-R124 WeakPolarHBondContact OE1-CD 3.4Å; E120-R124 IonicContact OE1-CZ 3.51Å; E120-R124 IonicContact OE1-NE 3.47Å; E120-R124 PolarHBondContact OE1-NE 2.98Å; E120-R124 IonicContact OE2-NE 3.52Å; E120-R124 PolarHBondContact OE2-NE 2.74Å
121	L	96.9	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-47.5	172.2	-69	175.1	0	0	0	111.3	I95 L103 I106 L108 V117 L118 E119 N123 C125 L128 P151	I95-L121 HydrophobicContact CD1-CD2 3.68Å; I95-L121 HydrophobicContact CD1-CG 4.13Å; I95-L121 HydrophobicContact CG1-CD2 4.26Å; L103-L121 HydrophobicContact CD2-CD2 3.65Å; I106-L121 HydrophobicContact CD1-CD2 4.07Å; I106-L121 HydrophobicContact CG2-CD1 4.26Å; I106-L121 HydrophobicContact CG2-CD2 4.41Å; L108-L121 HydrophobicContact CD1-CD1 3.96Å; V117-L121 HydrophobicContact CG1-CD1 4.23Å; V117-L121 VanDerWaalsContact O-CG 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.21Å; L118-L121 PolarHBondContact O-N 3.33Å; E119-L121 VanDerWaalsContact C-N 3.32Å; E119-L121 PolarHBondContact O-N 3.14Å; L121-N123 VanDerWaalsContact C-N 3.33Å; L121-N123 PolarHBondContact O-N 3.03Å; L121-C125 WeakPolarHBondContact O-CA 3.37Å; L121-C125 VanDerWaalsContact O-CB 3.23Å; L121-C125 WeakPolarHBondContact O-CB 3.44Å; L121-C125 PolarHBondContact O-N 3.19Å; L121-L128 HydrophobicContact CB-CD2 4.48Å; L121-L128 HydrophobicContact CD2-CD2 4.49Å; L121-P151 HydrophobicContact CB-CG 3.69Å
122	G	96	Very high	95.7	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-40.3	179	0	0	0	0	0	113.1	L118 E119	L118-G122 PolarHBondContact O-N 3.42Å; E119-G122 PolarHBondContact O-N 3.17Å
123	N	95.9	Very high	95.8	Very high	107 Å²	107	38.6 Å²	38.6	57%	0.572	19%	0.194	S	C	*	.	H	α-helix	trans	-84.8	-30	-173.9	-65.7	-26.7	0	0	0	113.6	E119 E120 L121 S149	E119-N123 VanDerWaalsContact O-CB 3.24Å; E119-N123 WeakPolarHBondContact O-CB 3.46Å; E119-N123 PolarHBondContact O-N 2.77Å; E119-N123 PolarHBondContact O-ND2 2.92Å; E119-N123 VanDerWaalsContact O-ND2 3.09Å; E120-N123 PolarHBondContact O-N 2.64Å; L121-N123 VanDerWaalsContact C-N 3.33Å; L121-N123 PolarHBondContact O-N 3.03Å; N123-S149 WeakPolarHBondContact OD1-CB 3.44Å; N123-S149 PolarHBondContact OD1-OG 3.08Å
124	R	94.8	Very high	95.8	Very high	112 Å²	112	40.9 Å²	40.9	42%	0.423	21%	0.206	S	C	.	.	H	α-helix	trans	-114.2	-15.2	-173.3	-59.9	-157	-171.4	-92.1	-7.5	115.8	H96 G100 S101 E120 P126	H96-R124 PolarHBondContact CE1-NH2 2.82Å; H96-R124 VanDerWaalsContact CE1-NH2 3.34Å; H96-R124 VanDerWaalsContact ND1-CZ 3.32Å; H96-R124 PolarHBondContact ND1-NE 3.47Å; H96-R124 VanDerWaalsContact ND1-NE 3.2Å; G100-R124 CarbonylContact C-O 3.51Å; S101-R124 WeakPolarHBondContact CA-O 3.36Å; S101-R124 PolarHBondContact N-O 2.89Å; S101-R124 VanDerWaalsContact N-O 3.16Å; E120-R124 VanDerWaalsContact CD-NE 3.32Å; E120-R124 WeakPolarHBondContact O-CB 3.42Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-R124 WeakPolarHBondContact OE1-CD 3.4Å; E120-R124 IonicContact OE1-CZ 3.51Å; E120-R124 IonicContact OE1-NE 3.47Å; E120-R124 PolarHBondContact OE1-NE 2.98Å; E120-R124 IonicContact OE2-NE 3.52Å; E120-R124 PolarHBondContact OE2-NE 2.74Å; R124-P126 WeakPolarHBondContact O-CD 3.3Å
125	C	95.6	Very high	95.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	20%	0.204	C	C	.	.			trans	-114	60.9	-173.9	-51.9	0	0	0	0	111.9	G100 L103 L121 N127 L128	G100-C125 PolarHBondContact O-SG 2.99Å; G100-C125 VanDerWaalsContact O-SG 3.36Å; L103-C125 HydrophobicContact CB-CB 4.22Å; L103-C125 HydrophobicContact CD2-CB 4.3Å; L121-C125 WeakPolarHBondContact O-CA 3.37Å; L121-C125 VanDerWaalsContact O-CB 3.23Å; L121-C125 WeakPolarHBondContact O-CB 3.44Å; L121-C125 PolarHBondContact O-N 3.19Å; C125-N127 PolarHBondContact O-N 3Å; C125-L128 HydrophobicContact CB-CB 4.05Å; C125-L128 VanDerWaalsContact O-CB 3.25Å; C125-L128 WeakPolarHBondContact O-CB 3.43Å; C125-L128 PolarHBondContact O-N 3.04Å
126	P	94	Very high	95.3	Very high	77 Å²	77	40.9 Å²	40.9	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.8	-177.3	29	-37.8	0	0	0	113.8	R124 S153	R124-P126 WeakPolarHBondContact O-CD 3.3Å; P126-S153 WeakPolarHBondContact O-CB 3.25Å; P126-S153 PolarHBondContact O-OG 2.74Å
127	N	94.7	Very high	94.8	Very high	68 Å²	68	44.3 Å²	44.3	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.6	176.3	-68.3	-55.3	0	0	0	113.5	S101 L103 C125 R129	S101-N127 WeakPolarHBondContact O-CB 3.49Å; S101-N127 PolarHBondContact O-ND2 3.13Å; L103-N127 CarbonylContact O-C 3.58Å; C125-N127 PolarHBondContact O-N 3Å; N127-R129 PolarHBondContact O-N 2.93Å
128	L	96.7	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.			trans	-66.3	117.8	178.6	-174.8	68.2	0	0	0	110.1	L103 I106 L121 C125 P151 S153 I154	L103-L128 HydrophobicContact CD2-CD1 4.11Å; L103-L128 HydrophobicContact CG-CD1 3.97Å; L103-L128 WeakPolarHBondContact O-CA 3.38Å; L103-L128 PolarHBondContact O-N 3.28Å; I106-L128 HydrophobicContact CB-CD1 4.45Å; I106-L128 HydrophobicContact CG2-CD1 3.8Å; I106-L128 HydrophobicContact CG2-CD2 4.17Å; L121-L128 HydrophobicContact CB-CD2 4.48Å; L121-L128 HydrophobicContact CD2-CD2 4.49Å; C125-L128 HydrophobicContact CB-CB 4.05Å; C125-L128 VanDerWaalsContact O-CB 3.25Å; C125-L128 WeakPolarHBondContact O-CB 3.43Å; C125-L128 PolarHBondContact O-N 3.04Å; L128-P151 HydrophobicContact CD2-CB 3.83Å; L128-P151 HydrophobicContact CD2-CG 3.69Å; L128-S153 CarbonylContact O-C 3.26Å; L128-S153 PolarHBondContact O-OG 2.87Å; L128-I154 PolarHBondContact O-N 3.25Å
129	R	96.5	Very high	93.8	Very high	94 Å²	94	51.8 Å²	51.8	36%	0.355	26%	0.262	S	S	.	.			trans	-115.2	-27.6	-175.3	-72.5	176.7	-172	173.5	2.3	113.5	R104 N127 K155 Y156	R104-R129 PolarHBondContact O-N 3.05Å; N127-R129 PolarHBondContact O-N 2.93Å; R129-K155 PolarHBondContact O-N 3.08Å; R129-Y156 PolarHBondContact O-N 3.01Å
130	Y	96.9	Very high	93.1	Very high	115 Å²	115	57.2 Å²	57.2	45%	0.451	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.9	-177.9	-58.6	-97.6	0	0	0	108.3	R104 C105 I106 Y156	R104-Y130 PolarHBondContact O-N 3.06Å; C105-Y130 WeakPolarHBondContact CA-O 3.42Å; C105-Y130 HydrophobicContact CB-CD2 4.49Å; I106-Y130 PolarHBondContact N-O 3.08Å; I106-Y130 VanDerWaalsContact N-O 3.08Å; Y130-Y156 WeakPolarHBondContact CA-O 3.23Å; Y130-Y156 AromaticContact CD1-CD1 3.95Å; Y130-Y156 HydrophobicContact CD1-CD1 3.95Å; Y130-Y156 HydrophobicContact CD1-CD2 4.19Å; Y130-Y156 AromaticContact CD1-CG 3.57Å; Y130-Y156 HydrophobicContact CD1-CG 3.57Å; Y130-Y156 HydrophobicContact CE1-CD2 4.36Å; Y130-Y156 HydrophobicContact CE1-CG 4.1Å
131	L	96.7	Very high	92.4	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.7	177.2	177.8	61.8	0	0	0	109.1	I106 L108 L133 F150 I154 Y156 L157 C158	I106-L131 HydrophobicContact CG2-CD1 3.52Å; I106-L131 WeakPolarHBondContact O-CA 3.43Å; L108-L131 HydrophobicContact CD1-CD1 4.4Å; L131-L133 HydrophobicContact CD1-CD2 3.91Å; L131-L133 HydrophobicContact CD2-CD2 4.08Å; L131-L133 HydrophobicContact CD2-CG 4.3Å; L131-L133 HydrophobicContact CG-CD2 3.99Å; L131-L133 HydrophobicContact CG-CG 4.19Å; L131-F150 HydrophobicContact CD2-CE1 4.4Å; L131-F150 HydrophobicContact CD2-CE2 4.07Å; L131-F150 HydrophobicContact CD2-CZ 3.59Å; L131-I154 HydrophobicContact CB-CD1 4Å; L131-I154 HydrophobicContact CB-CG2 4.42Å; L131-I154 HydrophobicContact CD2-CD1 3.54Å; L131-I154 HydrophobicContact CG-CD1 4.43Å; L131-Y156 PolarHBondContact N-O 3.26Å; L131-L157 HydrophobicContact CB-CD1 4.25Å; L131-L157 HydrophobicContact CD2-CD1 4.21Å; L131-L157 HydrophobicContact CG-CD1 4.24Å; L131-L157 WeakPolarHBondContact O-CA 3.47Å; L131-C158 PolarHBondContact O-N 3.1Å
132	T	95.4	Very high	91.7	Very high	22 Å²	22	63.5 Å²	63.5	14%	0.135	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.3	167.1	-58.8	0	0	0	0	109	I106 L108 C158	I106-T132 PolarHBondContact O-N 3Å; I106-T132 VanDerWaalsContact O-N 3.1Å; L108-T132 PolarHBondContact N-O 3.25Å; T132-C158 CarbonylContact C-O 3.18Å; T132-C158 WeakPolarHBondContact CA-O 3.46Å; T132-C158 HydrophobicContact CG2-CB 4.03Å
133	L	94.7	Very high	91.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.4	170.5	-55	179.5	0	0	0	107.7	L108 V113 L118 L131 F135 F150 C158 I159 C160 L170	L108-L133 HydrophobicContact CB-CD2 4.37Å; L108-L133 HydrophobicContact CD1-CD2 3.98Å; V113-L133 HydrophobicContact CG1-CD2 4.22Å; V113-L133 HydrophobicContact CG2-CB 4.43Å; V113-L133 HydrophobicContact CG2-CD2 3.94Å; L118-L133 HydrophobicContact CD2-CD2 4.28Å; L131-L133 HydrophobicContact CD1-CD2 3.91Å; L131-L133 HydrophobicContact CD2-CD2 4.08Å; L131-L133 HydrophobicContact CD2-CG 4.3Å; L131-L133 HydrophobicContact CG-CD2 3.99Å; L131-L133 HydrophobicContact CG-CG 4.19Å; L133-F135 HydrophobicContact CB-CD2 4.25Å; L133-F135 HydrophobicContact CB-CE2 3.54Å; L133-F135 HydrophobicContact CB-CZ 4.22Å; L133-F135 HydrophobicContact CD1-CE2 4.36Å; L133-F150 HydrophobicContact CD1-CE2 4.45Å; L133-C158 PolarHBondContact N-O 3.32Å; L133-I159 WeakPolarHBondContact O-CA 3.35Å; L133-C160 PolarHBondContact O-N 2.88Å; L133-L170 HydrophobicContact CD1-CD2 4.41Å
134	D	92.2	Very high	91.2	Very high	50 Å²	50	62.5 Å²	62.5	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	101.9	-174.6	-178.3	6.9	0	0	0	111.1	L108 S109 S110 S136 C160	L108-D134 PolarHBondContact O-N 3.1Å; S109-D134 CarbonylContact C-O 3.25Å; S110-D134 WeakPolarHBondContact CA-O 3.36Å; S110-D134 WeakPolarHBondContact CB-O 3.37Å; S110-D134 PolarHBondContact N-O 3.14Å; D134-S136 WeakPolarHBondContact OD1-CB 3.25Å; D134-S136 PolarHBondContact OD1-N 2.81Å; D134-S136 PolarHBondContact OD1-OG 2.9Å; D134-C160 HydrophobicContact CB-CB 4.39Å; D134-C160 VanDerWaalsContact OD1-CB 3.32Å; D134-C160 WeakPolarHBondContact OD1-CB 3.46Å
135	F	92	Very high	91.1	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.009	31%	0.311	C	S	.	.			trans	-103	13	174.5	-55.3	-85	0	0	0	113.3	V113 L133 N137 A138 L141 I159 C160 S162 I165 M167 L170	V113-F135 HydrophobicContact CB-CE1 3.95Å; V113-F135 HydrophobicContact CB-CZ 4Å; V113-F135 HydrophobicContact CG1-CE1 4.01Å; V113-F135 HydrophobicContact CG1-CZ 3.64Å; V113-F135 HydrophobicContact CG2-CE1 4.19Å; V113-F135 HydrophobicContact CG2-CZ 4.08Å; L133-F135 HydrophobicContact CB-CD2 4.25Å; L133-F135 HydrophobicContact CB-CE2 3.54Å; L133-F135 HydrophobicContact CB-CZ 4.22Å; L133-F135 HydrophobicContact CD1-CE2 4.36Å; F135-N137 PolarHBondContact O-N 2.95Å; F135-N137 VanDerWaalsContact O-N 3.08Å; F135-A138 HydrophobicContact CB-CB 3.96Å; F135-A138 HydrophobicContact CD1-CB 4.28Å; F135-A138 VanDerWaalsContact O-CB 3.29Å; F135-A138 WeakPolarHBondContact O-CB 3.2Å; F135-A138 PolarHBondContact O-N 3.14Å; F135-L141 HydrophobicContact CD1-CD1 3.74Å; F135-L141 HydrophobicContact CE1-CD1 3.3Å; F135-L141 HydrophobicContact CZ-CD1 4.07Å; F135-I159 HydrophobicContact CD2-CG2 4Å; F135-I159 HydrophobicContact CE2-CG2 4.17Å; F135-C160 CarbonylContact C-O 3.49Å; F135-C160 WeakPolarHBondContact CA-O 3.4Å; F135-C160 VanDerWaalsContact CB-O 3.25Å; F135-C160 WeakPolarHBondContact CB-O 3.34Å; F135-C160 PolarHBondContact N-O 2.87Å; F135-S162 WeakPolarHBondContact O-CB 3.46Å; F135-I165 HydrophobicContact CB-CD1 3.58Å; F135-I165 HydrophobicContact CD1-CD1 3.94Å; F135-I165 HydrophobicContact CG-CD1 3.9Å; F135-M167 HydrophobicContact CD1-SD 4.49Å; F135-M167 HydrophobicContact CD2-CE 3.55Å; F135-M167 HydrophobicContact CD2-SD 4.05Å; F135-M167 HydrophobicContact CE1-CE 4.31Å; F135-M167 HydrophobicContact CE2-CE 3.18Å; F135-M167 HydrophobicContact CE2-SD 4.17Å; F135-M167 HydrophobicContact CG-CE 4.23Å; F135-M167 HydrophobicContact CG-SD 4.2Å; F135-M167 HydrophobicContact CZ-CE 3.6Å; F135-M167 HydrophobicContact CZ-SD 4.42Å; F135-L170 HydrophobicContact CE2-CD2 4.19Å; F135-L170 HydrophobicContact CZ-CD2 3.72Å
136	S	88.4	Confident	91	Very high	44 Å²	44	69.2 Å²	69.2	31%	0.308	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.4	-175.7	55.8	0	0	0	0	114	D134	D134-S136 WeakPolarHBondContact OD1-CB 3.25Å; D134-S136 PolarHBondContact OD1-N 2.81Å; D134-S136 PolarHBondContact OD1-OG 2.9Å
137	N	85.2	Confident	91.1	Very high	137 Å²	137	66 Å²	66	73%	0.733	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	7.6	178.4	-60.4	-63.7	0	0	0	113.6	F135 M139	F135-N137 PolarHBondContact O-N 2.95Å; F135-N137 VanDerWaalsContact O-N 3.08Å; N137-M139 PolarHBondContact O-N 3.25Å
138	A	86.7	Confident	91.1	Very high	7 Å²	7	67 Å²	67	6%	0.058	34%	0.343	C	S	.	.			trans	-76.5	125.4	-176.9	0	0	0	0	0	110.4	F135 S162 I165	F135-A138 HydrophobicContact CB-CB 3.96Å; F135-A138 HydrophobicContact CD1-CB 4.28Å; F135-A138 VanDerWaalsContact O-CB 3.29Å; F135-A138 WeakPolarHBondContact O-CB 3.2Å; F135-A138 PolarHBondContact O-N 3.14Å; A138-S162 WeakPolarHBondContact O-CB 3.43Å; A138-S162 PolarHBondContact O-OG 2.89Å; A138-I165 HydrophobicContact CB-CD1 3.9Å; A138-I165 HydrophobicContact CB-CG2 4.33Å; A138-I165 WeakPolarHBondContact O-CG2 3.43Å
139	M	85.6	Confident	91	Very high	150 Å²	150	68.2 Å²	68.2	74%	0.739	35%	0.352	S	S	*	.	S	Bend	trans	-92	-18.3	172.7	-63.5	-175.4	-68.3	0	0	112.7	N137	N137-M139 PolarHBondContact O-N 3.25Å
140	Q	83.5	Confident	91	Very high	163 Å²	163	64.2 Å²	64.2	76%	0.762	34%	0.337	S	S	*	.	S	Bend	trans	-157.7	148.6	-176.6	39.8	-174	-17.3	0	0	108.9
141	L	82.5	Confident	90.9	Very high	49 Å²	49	58.9 Å²	58.9	26%	0.257	32%	0.316	S	S	.	.			trans	-109.9	139.8	-178.7	-167.8	67.6	0	0	0	109.7	F135 F144 I165 M167 L170	F135-L141 HydrophobicContact CD1-CD1 3.74Å; F135-L141 HydrophobicContact CE1-CD1 3.3Å; F135-L141 HydrophobicContact CZ-CD1 4.07Å; L141-F144 HydrophobicContact CD1-CE2 3.79Å; L141-F144 HydrophobicContact CD2-CD2 4.3Å; L141-F144 HydrophobicContact CD2-CE2 4.29Å; L141-F144 HydrophobicContact CG-CD2 4.17Å; L141-F144 HydrophobicContact CG-CE2 3.8Å; L141-I165 HydrophobicContact CD1-CD1 4.25Å; L141-M167 HydrophobicContact CD1-SD 4.26Å; L141-M167 HydrophobicContact CD2-SD 3.82Å; L141-L170 HydrophobicContact CD2-CB 4.29Å
142	H	81.6	Confident	90.7	Very high	115 Å²	115	62.6 Å²	62.6	53%	0.532	34%	0.342	S	S	.	.			trans	-59.6	152.6	169.7	-71.3	-68.8	0	0	0	111.1	F144	H142-F144 HydrophobicContact CB-CE2 3.95Å; H142-F144 HydrophobicContact CB-CZ 4.15Å; H142-F144 WeakPolarHBondContact O-CD2 3.29Å; H142-F144 WeakPolarHBondContact O-CE2 3.03Å; H142-F144 PolarHBondContact O-N 3.47Å
143	D	88.8	Confident	90.6	Very high	105 Å²	105	63.2 Å²	63.2	56%	0.561	35%	0.348	S	S	*	.			trans	-71.1	122.7	169	-171.5	-2.8	0	0	0	109.5	I115 N145	I115-D143 WeakPolarHBondContact CD1-O 3.31Å; D143-N145 VanDerWaalsContact CG-ND2 3.31Å; D143-N145 WeakPolarHBondContact OD1-CB 3.37Å; D143-N145 PolarHBondContact OD1-N 2.85Å; D143-N145 PolarHBondContact OD1-ND2 3.25Å; D143-N145 PolarHBondContact OD2-ND2 2.88Å
144	F	93.6	Very high	90.7	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	35%	0.348	C	S	.	.			trans	-106	13.4	177.5	-70.8	-82.1	0	0	0	113.1	V113 I115 L118 L141 H142 E146 L147 L170	V113-F144 HydrophobicContact CG1-CZ 4.1Å; V113-F144 WeakPolarHBondContact O-CZ 3.04Å; I115-F144 HydrophobicContact CG1-CD1 3.71Å; I115-F144 HydrophobicContact CG1-CE1 4.13Å; L118-F144 HydrophobicContact CD1-CD1 4.15Å; L118-F144 HydrophobicContact CD1-CE1 3.67Å; L118-F144 HydrophobicContact CD1-CZ 4.46Å; L141-F144 HydrophobicContact CD1-CE2 3.79Å; L141-F144 HydrophobicContact CD2-CD2 4.3Å; L141-F144 HydrophobicContact CD2-CE2 4.29Å; L141-F144 HydrophobicContact CG-CD2 4.17Å; L141-F144 HydrophobicContact CG-CE2 3.8Å; H142-F144 HydrophobicContact CB-CE2 3.95Å; H142-F144 HydrophobicContact CB-CZ 4.15Å; H142-F144 WeakPolarHBondContact O-CD2 3.29Å; H142-F144 WeakPolarHBondContact O-CE2 3.03Å; H142-F144 PolarHBondContact O-N 3.47Å; F144-E146 PolarHBondContact O-N 3.35Å; F144-E146 VanDerWaalsContact O-N 3.14Å; F144-L147 HydrophobicContact CB-CB 4.33Å; F144-L147 HydrophobicContact CD1-CB 4.44Å; F144-L147 HydrophobicContact CD1-CD2 4.23Å; F144-L147 VanDerWaalsContact O-CB 3.24Å; F144-L147 WeakPolarHBondContact O-CB 3.33Å; F144-L147 PolarHBondContact O-N 3.07Å; F144-L170 HydrophobicContact CB-CB 4.34Å; F144-L170 HydrophobicContact CB-CD1 4.26Å; F144-L170 HydrophobicContact CD1-CD1 3.8Å; F144-L170 HydrophobicContact CD2-CB 3.83Å; F144-L170 HydrophobicContact CD2-CD1 4.11Å; F144-L170 HydrophobicContact CD2-CG 4.43Å; F144-L170 HydrophobicContact CE1-CD1 4.13Å; F144-L170 HydrophobicContact CE2-CB 4.39Å; F144-L170 HydrophobicContact CE2-CD1 4.42Å; F144-L170 HydrophobicContact CG-CB 4.14Å; F144-L170 HydrophobicContact CG-CD1 3.79Å; F144-L170 HydrophobicContact CZ-CD1 4.42Å
145	N	90.8	Very high	91	Very high	90 Å²	90	64.9 Å²	64.9	48%	0.481	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.6	179.5	-77.5	-35.8	0	0	0	113.4	D143 K173	D143-N145 VanDerWaalsContact CG-ND2 3.31Å; D143-N145 WeakPolarHBondContact OD1-CB 3.37Å; D143-N145 PolarHBondContact OD1-N 2.85Å; D143-N145 PolarHBondContact OD1-ND2 3.25Å; D143-N145 PolarHBondContact OD2-ND2 2.88Å; N145-K173 WeakPolarHBondContact O-CE 2.95Å; N145-K173 PolarHBondContact O-NZ 2.52Å
146	E	93.8	Very high	91.2	Very high	165 Å²	165	65.8 Å²	65.8	77%	0.771	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.5	178.9	-62.8	-172.5	172.8	0	0	114	I115 F144 A148	I115-E146 HydrophobicContact CD1-CB 4.18Å; F144-E146 PolarHBondContact O-N 3.35Å; F144-E146 VanDerWaalsContact O-N 3.14Å; E146-A148 PolarHBondContact O-N 2.92Å; E146-A148 VanDerWaalsContact O-N 3.1Å
147	L	95.8	Very high	91.6	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.042	34%	0.341	C	S	.	.			trans	-59	117.7	178.6	-176.9	66.2	0	0	0	110.4	I115 L118 E119 F144 S149 L170 K173 I174	I115-L147 HydrophobicContact CB-CD1 4.49Å; I115-L147 HydrophobicContact CG1-CB 4.42Å; I115-L147 HydrophobicContact CG1-CD1 4.48Å; I115-L147 HydrophobicContact CG2-CD1 4.15Å; L118-L147 HydrophobicContact CB-CD1 3.85Å; L118-L147 HydrophobicContact CD1-CD1 4.34Å; L118-L147 HydrophobicContact CD1-CD2 4.01Å; E119-L147 HydrophobicContact CG-CD1 3.73Å; F144-L147 HydrophobicContact CB-CB 4.33Å; F144-L147 HydrophobicContact CD1-CB 4.44Å; F144-L147 HydrophobicContact CD1-CD2 4.23Å; F144-L147 VanDerWaalsContact O-CB 3.24Å; F144-L147 WeakPolarHBondContact O-CB 3.33Å; F144-L147 PolarHBondContact O-N 3.07Å; L147-S149 WeakPolarHBondContact CD1-O 3.42Å; L147-L170 HydrophobicContact CD2-CD1 3.86Å; L147-K173 HydrophobicContact CB-CB 4.36Å; L147-K173 HydrophobicContact CB-CG 4.23Å; L147-K173 HydrophobicContact CD2-CB 3.93Å; L147-K173 HydrophobicContact CG-CB 4.46Å; L147-I174 HydrophobicContact CD2-CG2 4.36Å
148	A	94.7	Very high	92.2	Very high	89 Å²	89	57.2 Å²	57.2	74%	0.736	31%	0.307	S	S	*	.			trans	-105.3	-22.7	-175.2	0	0	0	0	0	113.9	E119 E146	E119-A148 WeakPolarHBondContact OE1-CB 3.49Å; E119-A148 PolarHBondContact OE1-N 3.35Å; E146-A148 PolarHBondContact O-N 2.92Å; E146-A148 VanDerWaalsContact O-N 3.1Å
149	S	95.3	Very high	92.5	Very high	26 Å²	26	56.9 Å²	56.9	18%	0.182	30%	0.304	C	S	.	.			trans	-138.9	141.5	-176.9	-173.6	0	0	0	0	111.4	N123 L147	N123-S149 WeakPolarHBondContact OD1-CB 3.44Å; N123-S149 PolarHBondContact OD1-OG 3.08Å; L147-S149 WeakPolarHBondContact CD1-O 3.42Å
150	F	96.7	Very high	92.9	Very high	11 Å²	11	50.7 Å²	50.7	5%	0.048	28%	0.275	C	S	.	.			trans	-146.3	148.4	175.5	-174	-95.4	0	0	0	109	L118 L131 L133 S152 I154 I174 C177	L118-F150 HydrophobicContact CB-CD2 4.42Å; L118-F150 HydrophobicContact CD1-CD2 4.33Å; L118-F150 HydrophobicContact CD1-CE2 4.42Å; L118-F150 HydrophobicContact CD2-CD2 4.26Å; L118-F150 HydrophobicContact CD2-CE2 3.96Å; L131-F150 HydrophobicContact CD2-CE1 4.4Å; L131-F150 HydrophobicContact CD2-CE2 4.07Å; L131-F150 HydrophobicContact CD2-CZ 3.59Å; L133-F150 HydrophobicContact CD1-CE2 4.45Å; F150-S152 PolarHBondContact O-N 3.44Å; F150-I154 HydrophobicContact CD1-CD1 4.39Å; F150-I154 HydrophobicContact CE1-CD1 3.52Å; F150-I154 HydrophobicContact CZ-CD1 3.96Å; F150-I174 HydrophobicContact CB-CG2 4.3Å; F150-I174 HydrophobicContact CD1-CB 3.94Å; F150-I174 HydrophobicContact CD1-CG2 3.99Å; F150-I174 HydrophobicContact CD2-CB 4.35Å; F150-I174 HydrophobicContact CD2-CG2 3.5Å; F150-I174 HydrophobicContact CE1-CB 3.99Å; F150-I174 HydrophobicContact CE1-CG2 4.15Å; F150-I174 HydrophobicContact CE2-CB 4.4Å; F150-I174 HydrophobicContact CE2-CG2 3.69Å; F150-I174 HydrophobicContact CG-CB 4.12Å; F150-I174 HydrophobicContact CG-CG2 3.66Å; F150-I174 HydrophobicContact CZ-CB 4.22Å; F150-I174 HydrophobicContact CZ-CD1 4.33Å; F150-I174 HydrophobicContact CZ-CG2 4Å; F150-C177 HydrophobicContact CD1-CB 3.74Å
151	P	95.3	Very high	93.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.013	24%	0.24	C	C	.	.			trans	-61	126	-178.2	-18.3	29.1	0	0	0	112.3	L121 L128 I154	L121-P151 HydrophobicContact CB-CG 3.69Å; L128-P151 HydrophobicContact CD2-CB 3.83Å; L128-P151 HydrophobicContact CD2-CG 3.69Å; P151-I154 HydrophobicContact CB-CD1 3.91Å; P151-I154 HydrophobicContact CB-CG1 3.9Å; P151-I154 HydrophobicContact CG-CD1 4.44Å; P151-I154 WeakPolarHBondContact O-CD1 3.09Å
152	S	92.6	Very high	93.4	Very high	79 Å²	79	41.1 Å²	41.1	55%	0.552	23%	0.23	S	C	*	.	S	Bend	trans	-103.4	-5.2	-171.7	57.5	0	0	0	0	114.9	F150	F150-S152 PolarHBondContact O-N 3.44Å
153	S	93.7	Very high	93.2	Very high	35 Å²	35	40.2 Å²	40.2	25%	0.245	23%	0.229	C	C	.	.			trans	-103.7	11.7	-179.5	57.1	0	0	0	0	113.8	P126 L128 K155	P126-S153 WeakPolarHBondContact O-CB 3.25Å; P126-S153 PolarHBondContact O-OG 2.74Å; L128-S153 CarbonylContact O-C 3.26Å; L128-S153 PolarHBondContact O-OG 2.87Å; S153-K155 PolarHBondContact O-N 2.65Å
154	I	96.7	Very high	92.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	23%	0.228	C	C	.	.			trans	-62.3	127.9	180	-57.9	173.8	0	0	0	109.4	L128 L131 F150 P151 Y156 L157 A180 V181	L128-I154 PolarHBondContact O-N 3.25Å; L131-I154 HydrophobicContact CB-CD1 4Å; L131-I154 HydrophobicContact CB-CG2 4.42Å; L131-I154 HydrophobicContact CD2-CD1 3.54Å; L131-I154 HydrophobicContact CG-CD1 4.43Å; F150-I154 HydrophobicContact CD1-CD1 4.39Å; F150-I154 HydrophobicContact CE1-CD1 3.52Å; F150-I154 HydrophobicContact CZ-CD1 3.96Å; P151-I154 HydrophobicContact CB-CD1 3.91Å; P151-I154 HydrophobicContact CB-CG1 3.9Å; P151-I154 HydrophobicContact CG-CD1 4.44Å; P151-I154 WeakPolarHBondContact O-CD1 3.09Å; I154-Y156 WeakPolarHBondContact CG2-O 3.45Å; I154-L157 HydrophobicContact CG2-CB 4.04Å; I154-A180 CarbonylContact O-C 3.47Å; I154-V181 HydrophobicContact CG2-CG2 4.41Å; I154-V181 WeakPolarHBondContact O-CA 3.41Å; I154-V181 PolarHBondContact O-N 2.9Å
155	K	97	Very high	91.9	Very high	83 Å²	83	39.7 Å²	39.7	36%	0.361	23%	0.229	S	C	.	.	S	Bend	trans	-102.4	-32	173.7	-70.1	-169.5	166.6	-129.6	0	112.5	R129 S153 E182 I183	R129-K155 PolarHBondContact O-N 3.08Å; S153-K155 PolarHBondContact O-N 2.65Å; K155-E182 IonicContact NZ-OE1 3.31Å; K155-E182 PolarHBondContact NZ-OE1 2.85Å; K155-E182 PolarHBondContact O-N 3.19Å; K155-I183 PolarHBondContact O-N 2.81Å
156	Y	97.5	Very high	91.4	Very high	20 Å²	20	41.2 Å²	41.2	8%	0.078	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116	178.4	178.6	-76.8	0	0	0	108	R129 Y130 L131 I154 C158 I183 H185 R514	R129-Y156 PolarHBondContact O-N 3.01Å; Y130-Y156 WeakPolarHBondContact CA-O 3.23Å; Y130-Y156 AromaticContact CD1-CD1 3.95Å; Y130-Y156 HydrophobicContact CD1-CD1 3.95Å; Y130-Y156 HydrophobicContact CD1-CD2 4.19Å; Y130-Y156 AromaticContact CD1-CG 3.57Å; Y130-Y156 HydrophobicContact CD1-CG 3.57Å; Y130-Y156 HydrophobicContact CE1-CD2 4.36Å; Y130-Y156 HydrophobicContact CE1-CG 4.1Å; L131-Y156 PolarHBondContact N-O 3.26Å; I154-Y156 WeakPolarHBondContact CG2-O 3.45Å; Y156-C158 HydrophobicContact CE1-CB 3.81Å; Y156-I183 WeakPolarHBondContact CA-O 3.34Å; Y156-I183 HydrophobicContact CD2-CB 3.76Å; Y156-I183 HydrophobicContact CD2-CD1 3.98Å; Y156-I183 HydrophobicContact CD2-CG1 4.49Å; Y156-I183 HydrophobicContact CD2-CG2 3.45Å; Y156-I183 VanDerWaalsContact CD2-CG2 3.45Å; Y156-I183 HydrophobicContact CE2-CB 4.45Å; Y156-I183 HydrophobicContact CE2-CG2 3.64Å; Y156-I183 HydrophobicContact CG-CB 4.44Å; Y156-I183 HydrophobicContact CG-CG2 4.42Å; Y156-H185 AromaticContact CE2-CD2 3.42Å; Y156-H185 VanDerWaalsContact CE2-CD2 3.42Å; Y156-H185 WeakPolarHBondContact CE2-CD2 3.45Å; Y156-H185 AromaticContact CE2-NE2 3.32Å; Y156-H185 VanDerWaalsContact CE2-NE2 3.32Å; Y156-H185 WeakPolarHBondContact CE2-NE2 3.29Å; Y156-H185 AromaticContact CZ-CD2 3.35Å; Y156-H185 AromaticContact CZ-NE2 3.58Å; Y156-H185 PolarHBondContact OH-CD2 3.45Å; Y156-H185 PolarHBondContact OH-NE2 3.1Å; Y156-R514 PolarHBondContact OH-O 3.11Å
157	L	97.1	Very high	91.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126	174.6	179	60	0	0	0	108.8	L131 I154 I159 L178 V181 I183 L184 H185	L131-L157 HydrophobicContact CB-CD1 4.25Å; L131-L157 HydrophobicContact CD2-CD1 4.21Å; L131-L157 HydrophobicContact CG-CD1 4.24Å; L131-L157 WeakPolarHBondContact O-CA 3.47Å; I154-L157 HydrophobicContact CG2-CB 4.04Å; L157-I159 HydrophobicContact CD1-CG1 4.25Å; L157-I159 HydrophobicContact CD2-CD1 4.19Å; L157-I159 HydrophobicContact CD2-CG1 4.43Å; L157-I159 HydrophobicContact CG-CD1 4.42Å; L157-I159 HydrophobicContact CG-CG1 4.11Å; L157-L178 HydrophobicContact CD2-CD2 3.47Å; L157-L178 VanDerWaalsContact CD2-CD2 3.47Å; L157-V181 HydrophobicContact CB-CG1 4.47Å; L157-V181 HydrophobicContact CB-CG2 4.4Å; L157-I183 PolarHBondContact N-O 2.79Å; L157-L184 HydrophobicContact CB-CD1 3.99Å; L157-L184 HydrophobicContact CD2-CD1 4Å; L157-L184 HydrophobicContact CG-CD1 4.02Å; L157-L184 WeakPolarHBondContact O-CA 3.46Å; L157-H185 PolarHBondContact O-N 2.89Å
158	C	96.4	Very high	90.6	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.8	169.2	-177.1	0	0	0	0	109.7	L131 T132 L133 Y156 H185	L131-C158 PolarHBondContact O-N 3.1Å; T132-C158 CarbonylContact C-O 3.18Å; T132-C158 WeakPolarHBondContact CA-O 3.46Å; T132-C158 HydrophobicContact CG2-CB 4.03Å; L133-C158 PolarHBondContact N-O 3.32Å; Y156-C158 HydrophobicContact CE1-CB 3.81Å; C158-H185 CarbonylContact C-O 3.54Å; C158-H185 WeakPolarHBondContact CA-O 3.37Å; C158-H185 HydrophobicContact CB-CB 3.9Å
159	I	94.8	Very high	90.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	109.9	172.3	-52.3	-179.3	0	0	0	106.8	L133 F135 L157 L161 M167 M171 I174 H185 L186 I187	L133-I159 WeakPolarHBondContact O-CA 3.35Å; F135-I159 HydrophobicContact CD2-CG2 4Å; F135-I159 HydrophobicContact CE2-CG2 4.17Å; L157-I159 HydrophobicContact CD1-CG1 4.25Å; L157-I159 HydrophobicContact CD2-CD1 4.19Å; L157-I159 HydrophobicContact CD2-CG1 4.43Å; L157-I159 HydrophobicContact CG-CD1 4.42Å; L157-I159 HydrophobicContact CG-CG1 4.11Å; I159-L161 HydrophobicContact CB-CD2 4.48Å; I159-L161 HydrophobicContact CG2-CD2 3.69Å; I159-M167 HydrophobicContact CG2-CE 4.23Å; I159-M171 HydrophobicContact CD1-CE 4.29Å; I159-M171 HydrophobicContact CD1-SD 3.66Å; I159-I174 HydrophobicContact CD1-CD1 4.4Å; I159-H185 PolarHBondContact N-O 3.34Å; I159-L186 HydrophobicContact CB-CD2 3.92Å; I159-L186 HydrophobicContact CD1-CD2 4.03Å; I159-L186 HydrophobicContact CG1-CD2 4.18Å; I159-L186 WeakPolarHBondContact O-CA 3.34Å; I159-I187 PolarHBondContact O-N 2.95Å
160	C	93.4	Very high	90.3	Very high	20 Å²	20	33.2 Å²	33.2	14%	0.135	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.9	169.3	-49	0	0	0	0	107.3	L133 D134 F135 I187	L133-C160 PolarHBondContact O-N 2.88Å; D134-C160 HydrophobicContact CB-CB 4.39Å; D134-C160 VanDerWaalsContact OD1-CB 3.32Å; D134-C160 WeakPolarHBondContact OD1-CB 3.46Å; F135-C160 CarbonylContact C-O 3.49Å; F135-C160 WeakPolarHBondContact CA-O 3.4Å; F135-C160 VanDerWaalsContact CB-O 3.25Å; F135-C160 WeakPolarHBondContact CB-O 3.34Å; F135-C160 PolarHBondContact N-O 2.87Å; C160-I187 CarbonylContact C-O 3.56Å; C160-I187 WeakPolarHBondContact CA-O 3.48Å
161	L	90.6	Very high	90.1	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-90.4	146.5	-176	-53.1	174	0	0	0	109.6	I159 M167 L186 I187 V203 I204 I224	I159-L161 HydrophobicContact CB-CD2 4.48Å; I159-L161 HydrophobicContact CG2-CD2 3.69Å; L161-M167 HydrophobicContact CD2-CG 4.26Å; L161-L186 HydrophobicContact CD1-CB 4.37Å; L161-I187 PolarHBondContact N-O 3.13Å; L161-V203 HydrophobicContact CD1-CG2 4.08Å; L161-I204 HydrophobicContact CD1-CD1 4.27Å; L161-I204 HydrophobicContact CD2-CD1 3.38Å; L161-I204 HydrophobicContact CD2-CG1 4.14Å; L161-I204 HydrophobicContact CG-CD1 4.44Å; L161-I224 HydrophobicContact CD1-CD1 3.71Å; L161-I224 HydrophobicContact CD1-CG1 4.08Å
162	S	85.5	Confident	90	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.035	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-100.9	151.7	160	140	0	0	0	0	108	F135 A138 V164	F135-S162 WeakPolarHBondContact O-CB 3.46Å; A138-S162 WeakPolarHBondContact O-CB 3.43Å; A138-S162 PolarHBondContact O-OG 2.89Å; S162-V164 VanDerWaalsContact C-N 3.29Å; S162-V164 PolarHBondContact OG-N 2.83Å; S162-V164 VanDerWaalsContact OG-N 3.07Å
163	D	76.5	Confident	90	Very high	96 Å²	96	39.2 Å²	39.2	51%	0.513	20%	0.195	S	C	.	.	S	Bend	trans	-69.8	-22.9	173.6	55.5	-30.9	0	0	0	113.1
164	V	77.9	Confident	90.1	Very high	89 Å²	89	37.5 Å²	37.5	54%	0.539	18%	0.184	S	C	.	.	S	Bend	trans	-92.5	-22.7	-173.1	-170.1	0	0	0	0	113.1	S162	S162-V164 VanDerWaalsContact C-N 3.29Å; S162-V164 PolarHBondContact OG-N 2.83Å; S162-V164 VanDerWaalsContact OG-N 3.07Å
165	I	78.2	Confident	89.9	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.031	18%	0.184	C	C	.	.			trans	-106.1	135.9	-169.4	66.3	162.5	0	0	0	114.2	F135 A138 L141 M167 V203	F135-I165 HydrophobicContact CB-CD1 3.58Å; F135-I165 HydrophobicContact CD1-CD1 3.94Å; F135-I165 HydrophobicContact CG-CD1 3.9Å; A138-I165 HydrophobicContact CB-CD1 3.9Å; A138-I165 HydrophobicContact CB-CG2 4.33Å; A138-I165 WeakPolarHBondContact O-CG2 3.43Å; L141-I165 HydrophobicContact CD1-CD1 4.25Å; I165-M167 HydrophobicContact CD1-CG 4.45Å; I165-M167 HydrophobicContact CD1-SD 3.46Å; I165-M167 WeakPolarHBondContact CD1-SD 3.46Å; I165-M167 HydrophobicContact CG1-SD 4.17Å; I165-V203 WeakPolarHBondContact O-CG1 3.22Å
166	F	81.1	Confident	89.7	Confident	123 Å²	123	37.7 Å²	37.7	54%	0.539	20%	0.195	S	C	.	.			trans	-86	117.2	170.5	-66.6	-86	0	0	0	110.7	E168 Y201	F166-E168 VanDerWaalsContact C-N 3.3Å; F166-E168 PolarHBondContact O-N 2.97Å; F166-Y201 HydrophobicContact CE1-CD1 4.25Å; F166-Y201 AromaticContact CE1-CG 3.94Å; F166-Y201 HydrophobicContact CE1-CG 3.94Å; F166-Y201 HydrophobicContact CZ-CD1 4.15Å; F166-Y201 HydrophobicContact CZ-CD2 4.07Å; F166-Y201 AromaticContact CZ-CG 3.86Å; F166-Y201 HydrophobicContact CZ-CG 3.86Å
167	M	85.9	Confident	89.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.198	C	C	.	.			trans	-84.6	-1.3	-177.6	-67.1	-61.9	-68	0	0	113.6	F135 L141 I159 L161 I165 G169 L170 M171 V203 I204	F135-M167 HydrophobicContact CD1-SD 4.49Å; F135-M167 HydrophobicContact CD2-CE 3.55Å; F135-M167 HydrophobicContact CD2-SD 4.05Å; F135-M167 HydrophobicContact CE1-CE 4.31Å; F135-M167 HydrophobicContact CE2-CE 3.18Å; F135-M167 HydrophobicContact CE2-SD 4.17Å; F135-M167 HydrophobicContact CG-CE 4.23Å; F135-M167 HydrophobicContact CG-SD 4.2Å; F135-M167 HydrophobicContact CZ-CE 3.6Å; F135-M167 HydrophobicContact CZ-SD 4.42Å; L141-M167 HydrophobicContact CD1-SD 4.26Å; L141-M167 HydrophobicContact CD2-SD 3.82Å; I159-M167 HydrophobicContact CG2-CE 4.23Å; L161-M167 HydrophobicContact CD2-CG 4.26Å; I165-M167 HydrophobicContact CD1-CG 4.45Å; I165-M167 HydrophobicContact CD1-SD 3.46Å; I165-M167 WeakPolarHBondContact CD1-SD 3.46Å; I165-M167 HydrophobicContact CG1-SD 4.17Å; M167-G169 VanDerWaalsContact C-N 3.34Å; M167-G169 PolarHBondContact O-N 2.96Å; M167-L170 HydrophobicContact CE-CD2 3.6Å; M167-L170 PolarHBondContact O-N 2.6Å; M167-M171 HydrophobicContact CB-CG 3.87Å; M167-M171 WeakPolarHBondContact O-CB 3.32Å; M167-M171 VanDerWaalsContact O-CG 3.27Å; M167-M171 WeakPolarHBondContact O-CG 3.36Å; M167-M171 PolarHBondContact O-N 3.2Å; M167-V203 WeakPolarHBondContact CB-O 3.36Å; M167-V203 PolarHBondContact N-O 3.27Å; M167-I204 HydrophobicContact CB-CG1 4.01Å; M167-I204 HydrophobicContact CG-CG1 4.48Å
168	E	86.7	Confident	89.5	Confident	91 Å²	91	37.8 Å²	37.8	43%	0.425	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-41.6	-168.5	-159.7	-164.3	160.3	0	0	113.4	F166 L170 M171 R172 K208	F166-E168 VanDerWaalsContact C-N 3.3Å; F166-E168 PolarHBondContact O-N 2.97Å; E168-L170 PolarHBondContact O-N 2.75Å; E168-M171 PolarHBondContact O-N 3.06Å; E168-R172 WeakPolarHBondContact O-CB 3.27Å; E168-R172 PolarHBondContact O-N 3.23Å; E168-R172 IonicContact OE1-CZ 2.68Å; E168-R172 IonicContact OE1-NE 2.78Å; E168-R172 IonicContact OE1-NH2 3.37Å; E168-R172 PolarHBondContact OE1-NH2 3.25Å; E168-R172 IonicContact OE2-NH2 3.6Å; E168-K208 IonicContact OE1-NZ 3.25Å
169	G	89.2	Confident	89.4	Confident	27 Å²	27	40.6 Å²	40.6	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-47.7	179.9	0	0	0	0	0	112.5	M167	M167-G169 VanDerWaalsContact C-N 3.34Å; M167-G169 PolarHBondContact O-N 2.96Å
170	L	93.2	Very high	89.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-50.7	174	177.6	62.3	0	0	0	111.2	L118 L133 F135 L141 F144 L147 M167 E168 R172 K173 I174	L118-L170 HydrophobicContact CD1-CD1 3.79Å; L133-L170 HydrophobicContact CD1-CD2 4.41Å; F135-L170 HydrophobicContact CE2-CD2 4.19Å; F135-L170 HydrophobicContact CZ-CD2 3.72Å; L141-L170 HydrophobicContact CD2-CB 4.29Å; F144-L170 HydrophobicContact CB-CB 4.34Å; F144-L170 HydrophobicContact CB-CD1 4.26Å; F144-L170 HydrophobicContact CD1-CD1 3.8Å; F144-L170 HydrophobicContact CD2-CB 3.83Å; F144-L170 HydrophobicContact CD2-CD1 4.11Å; F144-L170 HydrophobicContact CD2-CG 4.43Å; F144-L170 HydrophobicContact CE1-CD1 4.13Å; F144-L170 HydrophobicContact CE2-CB 4.39Å; F144-L170 HydrophobicContact CE2-CD1 4.42Å; F144-L170 HydrophobicContact CG-CB 4.14Å; F144-L170 HydrophobicContact CG-CD1 3.79Å; F144-L170 HydrophobicContact CZ-CD1 4.42Å; L147-L170 HydrophobicContact CD2-CD1 3.86Å; M167-L170 HydrophobicContact CE-CD2 3.6Å; M167-L170 PolarHBondContact O-N 2.6Å; E168-L170 PolarHBondContact O-N 2.75Å; L170-R172 VanDerWaalsContact C-N 3.27Å; L170-R172 PolarHBondContact O-N 2.99Å; L170-K173 WeakPolarHBondContact O-CB 3.41Å; L170-K173 PolarHBondContact O-N 2.83Å; L170-I174 HydrophobicContact CD1-CG2 3.94Å; L170-I174 HydrophobicContact CG-CG2 4.35Å; L170-I174 PolarHBondContact O-N 3.26Å
171	M	93.5	Very high	89.6	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-40.3	-173.7	-72.4	-58.4	-59.7	0	0	112.1	I159 M167 E168 K173 I174 Y175 I204	I159-M171 HydrophobicContact CD1-CE 4.29Å; I159-M171 HydrophobicContact CD1-SD 3.66Å; M167-M171 HydrophobicContact CB-CG 3.87Å; M167-M171 WeakPolarHBondContact O-CB 3.32Å; M167-M171 VanDerWaalsContact O-CG 3.27Å; M167-M171 WeakPolarHBondContact O-CG 3.36Å; M167-M171 PolarHBondContact O-N 3.2Å; E168-M171 PolarHBondContact O-N 3.06Å; M171-K173 PolarHBondContact O-N 3.36Å; M171-K173 VanDerWaalsContact O-N 3.14Å; M171-I174 HydrophobicContact CE-CD1 4.07Å; M171-I174 HydrophobicContact CE-CG1 4.23Å; M171-I174 PolarHBondContact O-N 3.27Å; M171-I174 HydrophobicContact SD-CD1 3.48Å; M171-I174 WeakPolarHBondContact SD-CD1 3.41Å; M171-I174 HydrophobicContact SD-CG1 4.05Å; M171-Y175 VanDerWaalsContact C-CD2 3.48Å; M171-Y175 VanDerWaalsContact C-CE2 3.5Å; M171-Y175 HydrophobicContact CB-CD2 4.49Å; M171-Y175 HydrophobicContact CB-CE1 4.28Å; M171-Y175 HydrophobicContact CB-CE2 3.75Å; M171-Y175 HydrophobicContact CE-CD1 4Å; M171-Y175 HydrophobicContact CE-CE1 3.42Å; M171-Y175 VanDerWaalsContact CE-CE1 3.42Å; M171-Y175 WeakPolarHBondContact O-CD2 3.41Å; M171-Y175 WeakPolarHBondContact O-CE2 3.48Å; M171-Y175 VanDerWaalsContact O-CG 3.26Å; M171-Y175 PolarHBondContact O-N 3.43Å; M171-I204 HydrophobicContact CE-CG2 4.3Å; M171-I204 HydrophobicContact CG-CD1 4.42Å; M171-I204 HydrophobicContact CG-CG1 4.22Å; M171-I204 HydrophobicContact SD-CD1 4.28Å
172	R	92.1	Very high	89.9	Confident	139 Å²	139	42.9 Å²	42.9	53%	0.525	23%	0.231	S	C	.	.	H	α-helix	trans	-54.3	-33.5	175.6	-171.7	-178.6	-58	-173.2	1.3	112.8	E168 L170	E168-R172 WeakPolarHBondContact O-CB 3.27Å; E168-R172 PolarHBondContact O-N 3.23Å; E168-R172 IonicContact OE1-CZ 2.68Å; E168-R172 IonicContact OE1-NE 2.78Å; E168-R172 IonicContact OE1-NH2 3.37Å; E168-R172 PolarHBondContact OE1-NH2 3.25Å; E168-R172 IonicContact OE2-NH2 3.6Å; L170-R172 VanDerWaalsContact C-N 3.27Å; L170-R172 PolarHBondContact O-N 2.99Å
173	K	93.8	Very high	90.5	Very high	77 Å²	77	43.4 Å²	43.4	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-83.4	-28	179.7	-63	-66	-169.5	159.7	0	113.3	N145 L147 L170 M171	N145-K173 WeakPolarHBondContact O-CE 2.95Å; N145-K173 PolarHBondContact O-NZ 2.52Å; L147-K173 HydrophobicContact CB-CB 4.36Å; L147-K173 HydrophobicContact CB-CG 4.23Å; L147-K173 HydrophobicContact CD2-CB 3.93Å; L147-K173 HydrophobicContact CG-CB 4.46Å; L170-K173 WeakPolarHBondContact O-CB 3.41Å; L170-K173 PolarHBondContact O-N 2.83Å; M171-K173 PolarHBondContact O-N 3.36Å; M171-K173 VanDerWaalsContact O-N 3.14Å
174	I	94.3	Very high	91.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-98	-18.6	-174.9	78.2	-178.6	0	0	0	113.9	L147 F150 I159 L170 M171 S176 C177 L178	L147-I174 HydrophobicContact CD2-CG2 4.36Å; F150-I174 HydrophobicContact CB-CG2 4.3Å; F150-I174 HydrophobicContact CD1-CB 3.94Å; F150-I174 HydrophobicContact CD1-CG2 3.99Å; F150-I174 HydrophobicContact CD2-CB 4.35Å; F150-I174 HydrophobicContact CD2-CG2 3.5Å; F150-I174 HydrophobicContact CE1-CB 3.99Å; F150-I174 HydrophobicContact CE1-CG2 4.15Å; F150-I174 HydrophobicContact CE2-CB 4.4Å; F150-I174 HydrophobicContact CE2-CG2 3.69Å; F150-I174 HydrophobicContact CG-CB 4.12Å; F150-I174 HydrophobicContact CG-CG2 3.66Å; F150-I174 HydrophobicContact CZ-CB 4.22Å; F150-I174 HydrophobicContact CZ-CD1 4.33Å; F150-I174 HydrophobicContact CZ-CG2 4Å; I159-I174 HydrophobicContact CD1-CD1 4.4Å; L170-I174 HydrophobicContact CD1-CG2 3.94Å; L170-I174 HydrophobicContact CG-CG2 4.35Å; L170-I174 PolarHBondContact O-N 3.26Å; M171-I174 HydrophobicContact CE-CD1 4.07Å; M171-I174 HydrophobicContact CE-CG1 4.23Å; M171-I174 PolarHBondContact O-N 3.27Å; M171-I174 HydrophobicContact SD-CD1 3.48Å; M171-I174 WeakPolarHBondContact SD-CD1 3.41Å; M171-I174 HydrophobicContact SD-CG1 4.05Å; I174-S176 VanDerWaalsContact C-N 3.29Å; I174-S176 PolarHBondContact O-N 3.2Å; I174-C177 WeakPolarHBondContact O-CA 3.41Å; I174-C177 VanDerWaalsContact O-CB 3.29Å; I174-C177 WeakPolarHBondContact O-CB 3.3Å; I174-C177 PolarHBondContact O-N 2.93Å; I174-L178 WeakPolarHBondContact O-CG 3.39Å
175	Y	94.4	Very high	92.4	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.024	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-51	-46.3	-176.2	-76.2	-54.3	0	0	0	112.9	M171 C177 L178 N205 K208 I209 H212	M171-Y175 VanDerWaalsContact C-CD2 3.48Å; M171-Y175 VanDerWaalsContact C-CE2 3.5Å; M171-Y175 HydrophobicContact CB-CD2 4.49Å; M171-Y175 HydrophobicContact CB-CE1 4.28Å; M171-Y175 HydrophobicContact CB-CE2 3.75Å; M171-Y175 HydrophobicContact CE-CD1 4Å; M171-Y175 HydrophobicContact CE-CE1 3.42Å; M171-Y175 VanDerWaalsContact CE-CE1 3.42Å; M171-Y175 WeakPolarHBondContact O-CD2 3.41Å; M171-Y175 WeakPolarHBondContact O-CE2 3.48Å; M171-Y175 VanDerWaalsContact O-CG 3.26Å; M171-Y175 PolarHBondContact O-N 3.43Å; Y175-C177 PolarHBondContact O-N 3.23Å; Y175-C177 VanDerWaalsContact O-N 3.13Å; Y175-L178 HydrophobicContact CD1-CD1 4.19Å; Y175-L178 WeakPolarHBondContact O-CB 3.35Å; Y175-L178 PolarHBondContact O-N 3.38Å; Y175-N205 PolarHBondContact OH-N 3.37Å; Y175-N205 PolarHBondContact OH-O 2.84Å; Y175-K208 HydrophobicContact CD1-CB 3.99Å; Y175-K208 HydrophobicContact CD2-CB 3.85Å; Y175-K208 HydrophobicContact CD2-CD 3.74Å; Y175-K208 HydrophobicContact CD2-CG 4.39Å; Y175-K208 HydrophobicContact CE1-CB 3.76Å; Y175-K208 HydrophobicContact CE2-CB 3.64Å; Y175-K208 HydrophobicContact CE2-CD 3.37Å; Y175-K208 HydrophobicContact CE2-CG 4.15Å; Y175-K208 HydrophobicContact CG-CB 4.04Å; Y175-I209 HydrophobicContact CD1-CG1 4.24Å; Y175-I209 HydrophobicContact CE1-CG1 3.58Å; Y175-H212 WeakPolarHBondContact O-CB 3.1Å
176	S	92.5	Very high	93.2	Very high	82 Å²	82	34.4 Å²	34.4	57%	0.573	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-63.3	-19.3	179.8	57.9	0	0	0	0	114	I174	I174-S176 VanDerWaalsContact C-N 3.29Å; I174-S176 PolarHBondContact O-N 3.2Å
177	C	94.9	Very high	93.8	Very high	21 Å²	21	29.3 Å²	29.3	14%	0.142	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-86.3	-8.8	177.8	-55.9	0	0	0	0	113.2	F150 I174 Y175 S179	F150-C177 HydrophobicContact CD1-CB 3.74Å; I174-C177 WeakPolarHBondContact O-CA 3.41Å; I174-C177 VanDerWaalsContact O-CB 3.29Å; I174-C177 WeakPolarHBondContact O-CB 3.3Å; I174-C177 PolarHBondContact O-N 2.93Å; Y175-C177 PolarHBondContact O-N 3.23Å; Y175-C177 VanDerWaalsContact O-N 3.13Å; C177-S179 VanDerWaalsContact C-N 3.27Å; C177-S179 PolarHBondContact O-N 3.02Å
178	L	94.7	Very high	94	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-83.9	5.2	-173.1	-52.1	-174.6	0	0	0	114.5	L157 I174 Y175 A180 V181 H212 T213	L157-L178 HydrophobicContact CD2-CD2 3.47Å; L157-L178 VanDerWaalsContact CD2-CD2 3.47Å; I174-L178 WeakPolarHBondContact O-CG 3.39Å; Y175-L178 HydrophobicContact CD1-CD1 4.19Å; Y175-L178 WeakPolarHBondContact O-CB 3.35Å; Y175-L178 PolarHBondContact O-N 3.38Å; L178-A180 PolarHBondContact O-N 2.89Å; L178-A180 VanDerWaalsContact O-N 3.16Å; L178-V181 HydrophobicContact CB-CG2 4.03Å; L178-V181 HydrophobicContact CD2-CG2 4.09Å; L178-V181 VanDerWaalsContact O-CB 3.31Å; L178-V181 WeakPolarHBondContact O-CB 3.2Å; L178-V181 WeakPolarHBondContact O-CG2 3.14Å; L178-V181 PolarHBondContact O-N 3.16Å; L178-H212 CarbonylContact C-O 3.58Å; L178-H212 VanDerWaalsContact C-O 3.29Å; L178-T213 HydrophobicContact CB-CG2 3.77Å; L178-T213 HydrophobicContact CD1-CG2 4.33Å
179	S	94.4	Very high	93.7	Very high	62 Å²	62	27.7 Å²	27.7	43%	0.434	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-60.2	-28.6	-175.6	63.6	0	0	0	0	114.5	C177 H212 N215	C177-S179 VanDerWaalsContact C-N 3.27Å; C177-S179 PolarHBondContact O-N 3.02Å; S179-H212 VanDerWaalsContact CA-O 3.27Å; S179-H212 WeakPolarHBondContact CA-O 3.44Å; S179-H212 PolarHBondContact N-O 3.01Å; S179-N215 PolarHBondContact O-ND2 2.88Å
180	A	95.7	Very high	92.7	Very high	29 Å²	29	29.3 Å²	29.3	24%	0.24	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-88.8	-6.2	178.2	0	0	0	0	0	114	I154 L178 E182	I154-A180 CarbonylContact O-C 3.47Å; L178-A180 PolarHBondContact O-N 2.89Å; L178-A180 VanDerWaalsContact O-N 3.16Å; A180-E182 PolarHBondContact O-N 3.12Å
181	V	96.8	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.			trans	-69.4	123.7	-175.2	176.7	0	0	0	0	110	I154 L157 L178 I183 L184 N215 L216	I154-V181 HydrophobicContact CG2-CG2 4.41Å; I154-V181 WeakPolarHBondContact O-CA 3.41Å; I154-V181 PolarHBondContact O-N 2.9Å; L157-V181 HydrophobicContact CB-CG1 4.47Å; L157-V181 HydrophobicContact CB-CG2 4.4Å; L178-V181 HydrophobicContact CB-CG2 4.03Å; L178-V181 HydrophobicContact CD2-CG2 4.09Å; L178-V181 VanDerWaalsContact O-CB 3.31Å; L178-V181 WeakPolarHBondContact O-CB 3.2Å; L178-V181 WeakPolarHBondContact O-CG2 3.14Å; L178-V181 PolarHBondContact O-N 3.16Å; V181-I183 WeakPolarHBondContact CG1-O 3.23Å; V181-L184 HydrophobicContact CG1-CB 4.16Å; V181-N215 CarbonylContact O-C 3.54Å; V181-L216 HydrophobicContact CG1-CD1 4.23Å
182	E	97.3	Very high	89.4	Confident	43 Å²	43	42 Å²	42	20%	0.201	22%	0.223	C	C	.	.	S	Bend	trans	-103.4	-29.2	174.4	-65.6	-179.3	-139.5	0	0	111.3	K155 A180 R217 V218	K155-E182 IonicContact NZ-OE1 3.31Å; K155-E182 PolarHBondContact NZ-OE1 2.85Å; K155-E182 PolarHBondContact O-N 3.19Å; A180-E182 PolarHBondContact O-N 3.12Å; E182-R217 WeakPolarHBondContact O-CA 3.49Å; E182-R217 WeakPolarHBondContact O-CB 3.29Å; E182-R217 PolarHBondContact O-N 3.46Å; E182-R217 IonicContact OE2-NH1 2.8Å; E182-R217 PolarHBondContact OE2-NH1 2.87Å; E182-V218 PolarHBondContact O-N 3.11Å
183	I	97.7	Very high	87.6	Confident	17 Å²	17	39.5 Å²	39.5	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.4	-177.3	-57.1	163.3	0	0	0	108.5	K155 Y156 L157 V181 H185 V218 D512	K155-I183 PolarHBondContact O-N 2.81Å; Y156-I183 WeakPolarHBondContact CA-O 3.34Å; Y156-I183 HydrophobicContact CD2-CB 3.76Å; Y156-I183 HydrophobicContact CD2-CD1 3.98Å; Y156-I183 HydrophobicContact CD2-CG1 4.49Å; Y156-I183 HydrophobicContact CD2-CG2 3.45Å; Y156-I183 VanDerWaalsContact CD2-CG2 3.45Å; Y156-I183 HydrophobicContact CE2-CB 4.45Å; Y156-I183 HydrophobicContact CE2-CG2 3.64Å; Y156-I183 HydrophobicContact CG-CB 4.44Å; Y156-I183 HydrophobicContact CG-CG2 4.42Å; L157-I183 PolarHBondContact N-O 2.79Å; V181-I183 WeakPolarHBondContact CG1-O 3.23Å; I183-H185 WeakPolarHBondContact CG2-NE2 3.47Å; I183-V218 WeakPolarHBondContact CA-O 3.45Å; I183-V218 HydrophobicContact CB-CB 4.4Å; I183-V218 HydrophobicContact CG1-CB 4.11Å; I183-V218 HydrophobicContact CG1-CG2 4.29Å; I183-V218 HydrophobicContact CG2-CB 4.08Å; I183-V218 HydrophobicContact CG2-CG1 4.25Å; I183-D512 HydrophobicContact CD1-CB 3.66Å; I183-D512 WeakPolarHBondContact CD1-OD1 3.28Å; I183-D512 HydrophobicContact CG1-CB 4.23Å
184	L	97.1	Very high	85.6	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.8	178.1	-178.6	62.5	0	0	0	110.3	L157 V181 L186 I209 L216 V218 I219 N220	L157-L184 HydrophobicContact CB-CD1 3.99Å; L157-L184 HydrophobicContact CD2-CD1 4Å; L157-L184 HydrophobicContact CG-CD1 4.02Å; L157-L184 WeakPolarHBondContact O-CA 3.46Å; V181-L184 HydrophobicContact CG1-CB 4.16Å; L184-L186 HydrophobicContact CD1-CD2 4.03Å; L184-L186 HydrophobicContact CD1-CG 4.47Å; L184-L186 HydrophobicContact CD2-CG 4.39Å; L184-L186 HydrophobicContact CG-CD2 4.31Å; L184-L186 HydrophobicContact CG-CG 4.21Å; L184-I209 HydrophobicContact CD2-CD1 4.13Å; L184-I209 HydrophobicContact CD2-CG2 3.65Å; L184-L216 HydrophobicContact CB-CD1 3.65Å; L184-V218 PolarHBondContact N-O 2.79Å; L184-I219 WeakPolarHBondContact O-CA 3.38Å; L184-N220 PolarHBondContact O-N 3.41Å
185	H	97	Very high	83.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.7	168.8	-68	-97	0	0	0	108.9	Y156 L157 C158 I159 I183 I187 N220 D512 L513	Y156-H185 AromaticContact CE2-CD2 3.42Å; Y156-H185 VanDerWaalsContact CE2-CD2 3.42Å; Y156-H185 WeakPolarHBondContact CE2-CD2 3.45Å; Y156-H185 AromaticContact CE2-NE2 3.32Å; Y156-H185 VanDerWaalsContact CE2-NE2 3.32Å; Y156-H185 WeakPolarHBondContact CE2-NE2 3.29Å; Y156-H185 AromaticContact CZ-CD2 3.35Å; Y156-H185 AromaticContact CZ-NE2 3.58Å; Y156-H185 PolarHBondContact OH-CD2 3.45Å; Y156-H185 PolarHBondContact OH-NE2 3.1Å; L157-H185 PolarHBondContact O-N 2.89Å; C158-H185 CarbonylContact C-O 3.54Å; C158-H185 WeakPolarHBondContact CA-O 3.37Å; C158-H185 HydrophobicContact CB-CB 3.9Å; I159-H185 PolarHBondContact N-O 3.34Å; I183-H185 WeakPolarHBondContact CG2-NE2 3.47Å; H185-I187 HydrophobicContact CB-CD1 4Å; H185-I187 HydrophobicContact CB-CG1 4.1Å; H185-N220 WeakPolarHBondContact ND1-CB 3.29Å; H185-N220 PolarHBondContact ND1-ND2 2.92Å; H185-D512 PolarHBondContact NE2-O 2.94Å; H185-L513 PolarHBondContact CE1-O 2.67Å
186	L	94.9	Very high	82	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.3	161.7	-55.8	-179.1	0	0	0	105.2	I159 L161 L184 I204 I206 I209 N220 L221 F222 I224	I159-L186 HydrophobicContact CB-CD2 3.92Å; I159-L186 HydrophobicContact CD1-CD2 4.03Å; I159-L186 HydrophobicContact CG1-CD2 4.18Å; I159-L186 WeakPolarHBondContact O-CA 3.34Å; L161-L186 HydrophobicContact CD1-CB 4.37Å; L184-L186 HydrophobicContact CD1-CD2 4.03Å; L184-L186 HydrophobicContact CD1-CG 4.47Å; L184-L186 HydrophobicContact CD2-CG 4.39Å; L184-L186 HydrophobicContact CG-CD2 4.31Å; L184-L186 HydrophobicContact CG-CG 4.21Å; L186-I204 HydrophobicContact CD1-CD1 4.24Å; L186-I204 HydrophobicContact CD1-CG2 4.2Å; L186-I204 HydrophobicContact CD2-CD1 3.88Å; L186-I206 HydrophobicContact CD1-CD1 4.1Å; L186-I209 HydrophobicContact CD1-CD1 3.68Å; L186-N220 PolarHBondContact N-O 2.84Å; L186-N220 VanDerWaalsContact O-O 3.06Å; L186-L221 HydrophobicContact CB-CD2 3.9Å; L186-L221 HydrophobicContact CD1-CD2 3.8Å; L186-L221 HydrophobicContact CG-CD2 4.09Å; L186-L221 CarbonylContact O-C 3.45Å; L186-L221 VanDerWaalsContact O-CA 3.3Å; L186-L221 WeakPolarHBondContact O-CA 3.46Å; L186-F222 PolarHBondContact O-N 3.33Å; L186-I224 HydrophobicContact CB-CD1 3.51Å; L186-I224 WeakPolarHBondContact O-CD1 3.33Å
187	I	93.8	Very high	80.3	Confident	15 Å²	15	62.1 Å²	62.1	8%	0.077	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109.6	-172.8	-52.5	-58.4	0	0	0	107.6	I159 C160 L161 H185 F222 F515	I159-I187 PolarHBondContact O-N 2.95Å; C160-I187 CarbonylContact C-O 3.56Å; C160-I187 WeakPolarHBondContact CA-O 3.48Å; L161-I187 PolarHBondContact N-O 3.13Å; H185-I187 HydrophobicContact CB-CD1 4Å; H185-I187 HydrophobicContact CB-CG1 4.1Å; I187-F222 HydrophobicContact CD1-CB 3.95Å; I187-F222 HydrophobicContact CG2-CD1 4.24Å; I187-F515 HydrophobicContact CD1-CD1 4.47Å
188	G	90.7	Very high	78.9	Confident	14 Å²	14	67.6 Å²	67.6	14%	0.144	36%	0.358	C	S	.	.			trans	-81.4	175.1	175.3	0	0	0	0	0	113.1	F222	G188-F222 PolarHBondContact N-O 3.37Å
189	T	79	Confident	77.7	Confident	45 Å²	45	74.3 Å²	74.3	28%	0.276	39%	0.39	S	S	.	.			trans	-88.6	114	165.7	46.4	0	0	0	0	108.1	E191	T189-E191 PolarHBondContact O-N 3.28Å
190	F	68.1	Low	76.6	Confident	61 Å²	61	76.3 Å²	76.3	27%	0.268	39%	0.394	S	S	.	.			trans	-87.4	97.2	166.4	-179.4	-105.1	0	0	0	108	L192 F222 F249 L251 H275	F190-L192 HydrophobicContact CE1-CG 4.46Å; F190-L192 HydrophobicContact CZ-CD2 4.38Å; F190-F222 HydrophobicContact CB-CE1 4.48Å; F190-F249 HydrophobicContact CB-CB 4.36Å; F190-F249 AromaticContact CD1-CD1 3.8Å; F190-F249 HydrophobicContact CD1-CD1 3.8Å; F190-F249 HydrophobicContact CD1-CE1 4.31Å; F190-F249 HydrophobicContact CD1-CG 4.4Å; F190-F249 HydrophobicContact CD2-CB 3.57Å; F190-F249 AromaticContact CD2-CD1 3.93Å; F190-F249 HydrophobicContact CD2-CD1 3.93Å; F190-F249 HydrophobicContact CD2-CG 4.1Å; F190-F249 AromaticContact CE1-CD1 3.68Å; F190-F249 HydrophobicContact CE1-CD1 3.68Å; F190-F249 HydrophobicContact CE1-CE1 4.08Å; F190-F249 HydrophobicContact CE2-CB 3.97Å; F190-F249 AromaticContact CE2-CD1 3.8Å; F190-F249 HydrophobicContact CE2-CD1 3.8Å; F190-F249 HydrophobicContact CE2-CG 4.34Å; F190-F249 HydrophobicContact CG-CB 3.96Å; F190-F249 AromaticContact CG-CD1 3.91Å; F190-F249 HydrophobicContact CG-CD1 3.91Å; F190-F249 HydrophobicContact CG-CG 4.11Å; F190-F249 AromaticContact CZ-CD1 3.68Å; F190-F249 HydrophobicContact CZ-CD1 3.68Å; F190-F249 HydrophobicContact CZ-CE1 4.37Å; F190-L251 HydrophobicContact CE2-CD1 4.45Å; F190-H275 AromaticContact CE2-CD2 3.98Å; F190-H275 AromaticContact CZ-CD2 3.63Å; F190-H275 AromaticContact CZ-NE2 3.85Å
191	E	64.3	Low	75.5	Confident	126 Å²	126	80.4 Å²	80.4	59%	0.589	40%	0.404	S	S	*	.			trans	-97	138.5	160.5	-63.7	-162.6	165.2	0	0	108.1	T189 A193	T189-E191 PolarHBondContact O-N 3.28Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3Å
192	L	54.3	Low	74.7	Confident	143 Å²	143	85.5 Å²	85.5	75%	0.749	43%	0.428	S	S	*	.			trans	-59.8	105.3	165.2	-78.5	159.2	0	0	0	105.3	F190 T194	F190-L192 HydrophobicContact CE1-CG 4.46Å; F190-L192 HydrophobicContact CZ-CD2 4.38Å; L192-T194 PolarHBondContact O-N 3.16Å
193	A	54.3	Low	73.9	Confident	85 Å²	85	84.2 Å²	84.2	70%	0.702	42%	0.423	S	S	*	.			trans	-38.9	118.7	-177.3	0	0	0	0	0	109.5	E191	E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3Å
194	T	51.1	Low	73.4	Confident	77 Å²	77	83.5 Å²	83.5	47%	0.472	42%	0.419	S	S	.	.			trans	-57	149	166.9	42.4	0	0	0	0	107.7	L192 E196	L192-T194 PolarHBondContact O-N 3.16Å; T194-E196 PolarHBondContact O-N 2.94Å
195	E	54.1	Low	73	Confident	207 Å²	207	85.8 Å²	85.8	97%	0.967	43%	0.432	S	S	*	.	S	Bend	trans	-57.7	-5.9	-175.6	-64.4	-178.1	165.1	0	0	114.6
196	E	59.3	Low	72.8	Confident	155 Å²	155	85.8 Å²	85.8	72%	0.724	43%	0.432	S	S	*	.	S	Bend	trans	-81.4	131.1	177.5	-60.7	-171.8	-179.9	0	0	110.7	T194 E198	T194-E196 PolarHBondContact O-N 2.94Å; E196-E198 VanDerWaalsContact C-N 3.25Å; E196-E198 PolarHBondContact O-N 2.95Å
197	E	57.2	Low	72.6	Confident	202 Å²	202	88.6 Å²	88.6	94%	0.944	45%	0.451	S	S	*	.			trans	-65.1	83	172.3	-69.2	179.8	170	0	0	109.7
198	E	66.1	Low	72.5	Confident	135 Å²	135	91 Å²	91	63%	0.631	46%	0.461	S	S	*	.			trans	-72.3	137.6	172.4	-69.3	-172.2	166.3	0	0	110.7	E196 I200	E196-E198 VanDerWaalsContact C-N 3.25Å; E196-E198 PolarHBondContact O-N 2.95Å; E198-I200 PolarHBondContact O-N 3.2Å
199	E	68.5	Low	72.6	Confident	143 Å²	143	90.4 Å²	90.4	67%	0.668	46%	0.455	S	S	*	.			trans	-64.9	117.7	173.7	-73.9	-173.4	-170.1	0	0	109.8	Y201	E199-Y201 HydrophobicContact CB-CE1 4.05Å; E199-Y201 HydrophobicContact CB-CE2 3.83Å; E199-Y201 WeakPolarHBondContact CB-OH 3.46Å; E199-Y201 VanDerWaalsContact O-CD2 3.3Å; E199-Y201 WeakPolarHBondContact O-CD2 3.32Å; E199-Y201 WeakPolarHBondContact O-CE2 3.41Å; E199-Y201 PolarHBondContact O-N 3.3Å; E199-Y201 WeakPolarHBondContact OE2-CE1 3.42Å; E199-Y201 PolarHBondContact OE2-OH 2.84Å
200	I	70.7	Confident	73.1	Confident	103 Å²	103	90.5 Å²	90.5	53%	0.528	45%	0.451	S	S	.	.			trans	-81.7	113.2	177.9	-59.9	177	0	0	0	109.1	E198 F226	E198-I200 PolarHBondContact O-N 3.2Å; I200-F226 HydrophobicContact CG2-CB 3.46Å; I200-F226 VanDerWaalsContact CG2-CB 3.46Å
201	Y	73.2	Confident	74.3	Confident	116 Å²	116	90.7 Å²	90.7	46%	0.455	46%	0.464	S	S	.	.			trans	-101	140.4	177.4	-57.2	-72	0	0	0	113	F166 E199 V203 F226	F166-Y201 HydrophobicContact CE1-CD1 4.25Å; F166-Y201 AromaticContact CE1-CG 3.94Å; F166-Y201 HydrophobicContact CE1-CG 3.94Å; F166-Y201 HydrophobicContact CZ-CD1 4.15Å; F166-Y201 HydrophobicContact CZ-CD2 4.07Å; F166-Y201 AromaticContact CZ-CG 3.86Å; F166-Y201 HydrophobicContact CZ-CG 3.86Å; E199-Y201 HydrophobicContact CB-CE1 4.05Å; E199-Y201 HydrophobicContact CB-CE2 3.83Å; E199-Y201 WeakPolarHBondContact CB-OH 3.46Å; E199-Y201 VanDerWaalsContact O-CD2 3.3Å; E199-Y201 WeakPolarHBondContact O-CD2 3.32Å; E199-Y201 WeakPolarHBondContact O-CE2 3.41Å; E199-Y201 PolarHBondContact O-N 3.3Å; E199-Y201 WeakPolarHBondContact OE2-CE1 3.42Å; E199-Y201 PolarHBondContact OE2-OH 2.84Å; Y201-V203 PolarHBondContact O-N 2.96Å; Y201-F226 WeakPolarHBondContact O-CD1 3.42Å
202	E	79.6	Confident	75.7	Confident	106 Å²	106	88 Å²	88	50%	0.495	45%	0.451	S	S	.	.			trans	-71.5	92.6	165.1	-74.3	-173.6	-151.4	0	0	110.2	I204 F226 H231	E202-I204 PolarHBondContact O-N 3.06Å; E202-F226 HydrophobicContact CB-CD2 4.32Å; E202-F226 HydrophobicContact CB-CE2 4.48Å; E202-F226 HydrophobicContact CG-CD2 3.77Å; E202-F226 HydrophobicContact CG-CE2 4.22Å; E202-F226 HydrophobicContact CG-CG 4.3Å; E202-H231 IonicContact OE1-NE2 2.74Å
203	V	81.1	Confident	77.6	Confident	16 Å²	16	81.2 Å²	81.2	10%	0.097	42%	0.416	C	S	.	.	S	Bend	trans	-70.6	-21.7	175.4	-65.1	0	0	0	0	112.4	L161 I165 M167 Y201 F226	L161-V203 HydrophobicContact CD1-CG2 4.08Å; I165-V203 WeakPolarHBondContact O-CG1 3.22Å; M167-V203 WeakPolarHBondContact CB-O 3.36Å; M167-V203 PolarHBondContact N-O 3.27Å; Y201-V203 PolarHBondContact O-N 2.96Å; V203-F226 HydrophobicContact CG2-CD1 4.23Å; V203-F226 HydrophobicContact CG2-CE1 3.57Å; V203-F226 HydrophobicContact CG2-CZ 4.46Å
204	I	87.1	Confident	79.4	Confident	2 Å²	2	80 Å²	80	1%	0.01	40%	0.4	C	S	.	.	S	Bend	trans	-138.1	130	178.3	-68	-172.8	0	0	0	110.8	L161 M167 M171 L186 E202 I206 I209 F226	L161-I204 HydrophobicContact CD1-CD1 4.27Å; L161-I204 HydrophobicContact CD2-CD1 3.38Å; L161-I204 HydrophobicContact CD2-CG1 4.14Å; L161-I204 HydrophobicContact CG-CD1 4.44Å; M167-I204 HydrophobicContact CB-CG1 4.01Å; M167-I204 HydrophobicContact CG-CG1 4.48Å; M171-I204 HydrophobicContact CE-CG2 4.3Å; M171-I204 HydrophobicContact CG-CD1 4.42Å; M171-I204 HydrophobicContact CG-CG1 4.22Å; M171-I204 HydrophobicContact SD-CD1 4.28Å; L186-I204 HydrophobicContact CD1-CD1 4.24Å; L186-I204 HydrophobicContact CD1-CG2 4.2Å; L186-I204 HydrophobicContact CD2-CD1 3.88Å; E202-I204 PolarHBondContact O-N 3.06Å; I204-I206 HydrophobicContact CG2-CD1 4.29Å; I204-I206 PolarHBondContact O-N 3.12Å; I204-I209 HydrophobicContact CG2-CD1 3.52Å; I204-I209 HydrophobicContact CG2-CG1 4.34Å; I204-F226 HydrophobicContact CB-CZ 4.32Å; I204-F226 WeakPolarHBondContact O-CE2 3.31Å; I204-F226 WeakPolarHBondContact O-CZ 3.47Å
205	N	89.2	Confident	81.5	Confident	50 Å²	50	79.9 Å²	79.9	27%	0.267	40%	0.397	S	S	.	.			trans	-80.3	104.2	176.6	-171.5	-57.3	0	0	0	111.9	Y175 S207 K208 I209	Y175-N205 PolarHBondContact OH-N 3.37Å; Y175-N205 PolarHBondContact OH-O 2.84Å; N205-S207 VanDerWaalsContact C-N 3.33Å; N205-S207 PolarHBondContact O-N 2.82Å; N205-S207 WeakPolarHBondContact OD1-CA 3.16Å; N205-S207 VanDerWaalsContact OD1-CB 3.29Å; N205-S207 WeakPolarHBondContact OD1-CB 3.27Å; N205-S207 PolarHBondContact OD1-N 3.27Å; N205-S207 VanDerWaalsContact OD1-N 3.12Å; N205-K208 HydrophobicContact CB-CB 4.44Å; N205-K208 HydrophobicContact CB-CD 4.27Å; N205-K208 HydrophobicContact CB-CG 4.4Å; N205-K208 PolarHBondContact O-N 2.78Å; N205-K208 PolarHBondContact OD1-N 3.11Å; N205-I209 PolarHBondContact O-N 3.35Å
206	I	91.6	Very high	83.6	Confident	1 Å²	1	70 Å²	70	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-30.8	-179.7	-55.5	-56.6	0	0	0	112.4	L186 I204 K208 I209 K210 F226 I227 H231 L235	L186-I206 HydrophobicContact CD1-CD1 4.1Å; I204-I206 HydrophobicContact CG2-CD1 4.29Å; I204-I206 PolarHBondContact O-N 3.12Å; I206-K208 VanDerWaalsContact C-N 3.27Å; I206-K208 PolarHBondContact O-N 3.33Å; I206-I209 HydrophobicContact CD1-CD1 4Å; I206-I209 WeakPolarHBondContact O-CB 3.48Å; I206-I209 PolarHBondContact O-N 3.11Å; I206-I209 VanDerWaalsContact O-N 3.11Å; I206-K210 WeakPolarHBondContact O-CB 3.11Å; I206-K210 PolarHBondContact O-N 3.35Å; I206-F226 HydrophobicContact CG1-CE2 4.16Å; I206-I227 HydrophobicContact CD1-CD1 3.95Å; I206-I227 HydrophobicContact CG1-CD1 3.74Å; I206-H231 HydrophobicContact CB-CB 4.47Å; I206-H231 HydrophobicContact CG1-CB 4.33Å; I206-H231 HydrophobicContact CG2-CB 4.37Å; I206-L235 HydrophobicContact CG2-CD1 4.31Å; I206-L235 HydrophobicContact CG2-CD2 3.99Å; I206-L235 HydrophobicContact CG2-CG 3.91Å
207	S	90.9	Very high	85.4	Confident	58 Å²	58	66 Å²	66	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-38.5	176.3	-173.4	0	0	0	0	111.9	N205 K210 A211	N205-S207 VanDerWaalsContact C-N 3.33Å; N205-S207 PolarHBondContact O-N 2.82Å; N205-S207 WeakPolarHBondContact OD1-CA 3.16Å; N205-S207 VanDerWaalsContact OD1-CB 3.29Å; N205-S207 WeakPolarHBondContact OD1-CB 3.27Å; N205-S207 PolarHBondContact OD1-N 3.27Å; N205-S207 VanDerWaalsContact OD1-N 3.12Å; S207-K210 WeakPolarHBondContact O-CB 3.22Å; S207-A211 PolarHBondContact O-N 3.25Å
208	K	91.9	Very high	87.3	Confident	66 Å²	66	56.4 Å²	56.4	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-70.8	-37.6	173.5	-71.3	-179.9	-176.6	169.5	0	112.5	E168 Y175 N205 I206 A211 H212	E168-K208 IonicContact OE1-NZ 3.25Å; Y175-K208 HydrophobicContact CD1-CB 3.99Å; Y175-K208 HydrophobicContact CD2-CB 3.85Å; Y175-K208 HydrophobicContact CD2-CD 3.74Å; Y175-K208 HydrophobicContact CD2-CG 4.39Å; Y175-K208 HydrophobicContact CE1-CB 3.76Å; Y175-K208 HydrophobicContact CE2-CB 3.64Å; Y175-K208 HydrophobicContact CE2-CD 3.37Å; Y175-K208 HydrophobicContact CE2-CG 4.15Å; Y175-K208 HydrophobicContact CG-CB 4.04Å; N205-K208 HydrophobicContact CB-CB 4.44Å; N205-K208 HydrophobicContact CB-CD 4.27Å; N205-K208 HydrophobicContact CB-CG 4.4Å; N205-K208 PolarHBondContact O-N 2.78Å; N205-K208 PolarHBondContact OD1-N 3.11Å; I206-K208 VanDerWaalsContact C-N 3.27Å; I206-K208 PolarHBondContact O-N 3.33Å; K208-A211 PolarHBondContact O-N 2.8Å; K208-H212 PolarHBondContact O-N 2.94Å; K208-H212 PolarHBondContact O-ND1 3.04Å
209	I	92.5	Very high	88.8	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-54.3	174	-66.9	-178.4	0	0	0	109.7	Y175 L184 L186 I204 N205 I206 A211 H212 T213	Y175-I209 HydrophobicContact CD1-CG1 4.24Å; Y175-I209 HydrophobicContact CE1-CG1 3.58Å; L184-I209 HydrophobicContact CD2-CD1 4.13Å; L184-I209 HydrophobicContact CD2-CG2 3.65Å; L186-I209 HydrophobicContact CD1-CD1 3.68Å; I204-I209 HydrophobicContact CG2-CD1 3.52Å; I204-I209 HydrophobicContact CG2-CG1 4.34Å; N205-I209 PolarHBondContact O-N 3.35Å; I206-I209 HydrophobicContact CD1-CD1 4Å; I206-I209 WeakPolarHBondContact O-CB 3.48Å; I206-I209 PolarHBondContact O-N 3.11Å; I206-I209 VanDerWaalsContact O-N 3.11Å; I209-A211 PolarHBondContact O-N 3.19Å; I209-A211 VanDerWaalsContact O-N 3.14Å; I209-H212 PolarHBondContact O-N 3.46Å; I209-T213 HydrophobicContact CG2-CG2 3.94Å; I209-T213 PolarHBondContact O-N 3.2Å; I209-T213 PolarHBondContact O-OG1 2.79Å
210	K	91.1	Very high	90.2	Very high	48 Å²	48	43.6 Å²	43.6	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-44.8	-49	175.2	169	-157.8	179.9	172.3	0	111.5	I206 S207 H212 L234 S237 N238	I206-K210 WeakPolarHBondContact O-CB 3.11Å; I206-K210 PolarHBondContact O-N 3.35Å; S207-K210 WeakPolarHBondContact O-CB 3.22Å; K210-H212 VanDerWaalsContact C-N 3.26Å; K210-H212 PolarHBondContact O-N 3.39Å; K210-L234 HydrophobicContact CD-CB 4.06Å; K210-L234 HydrophobicContact CD-CD2 4.12Å; K210-L234 WeakPolarHBondContact CD-O 3.36Å; K210-L234 VanDerWaalsContact CE-O 3.24Å; K210-L234 WeakPolarHBondContact CE-O 2.97Å; K210-L234 WeakPolarHBondContact CG-O 3.42Å; K210-S237 WeakPolarHBondContact CE-OG 3.37Å; K210-S237 PolarHBondContact NZ-OG 3.38Å; K210-N238 HydrophobicContact CD-CB 4.26Å; K210-N238 HydrophobicContact CG-CB 3.5Å; K210-N238 VanDerWaalsContact CG-CB 3.5Å; K210-N238 PolarHBondContact O-ND2 3.31Å
211	A	91.8	Very high	91.4	Very high	64 Å²	64	38.7 Å²	38.7	53%	0.529	20%	0.2	S	C	.	.	H	α-helix	trans	-67.9	-20.8	-176.1	0	0	0	0	0	114.4	S207 K208 I209	S207-A211 PolarHBondContact O-N 3.25Å; K208-A211 PolarHBondContact O-N 2.8Å; I209-A211 PolarHBondContact O-N 3.19Å; I209-A211 VanDerWaalsContact O-N 3.14Å
212	H	94.1	Very high	92.4	Very high	70 Å²	70	35.7 Å²	35.7	32%	0.324	19%	0.189	S	C	.	.	H	α-helix	trans	-117.5	-3.3	-172.4	-62.1	87.8	0	0	0	115	Y175 L178 S179 K208 I209 K210 P214	Y175-H212 WeakPolarHBondContact O-CB 3.1Å; L178-H212 CarbonylContact C-O 3.58Å; L178-H212 VanDerWaalsContact C-O 3.29Å; S179-H212 VanDerWaalsContact CA-O 3.27Å; S179-H212 WeakPolarHBondContact CA-O 3.44Å; S179-H212 PolarHBondContact N-O 3.01Å; K208-H212 PolarHBondContact O-N 2.94Å; K208-H212 PolarHBondContact O-ND1 3.04Å; I209-H212 PolarHBondContact O-N 3.46Å; K210-H212 VanDerWaalsContact C-N 3.26Å; K210-H212 PolarHBondContact O-N 3.39Å; H212-P214 WeakPolarHBondContact O-CD 3.42Å
213	T	94.5	Very high	93.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.			trans	-114.6	65	178.8	61	0	0	0	0	112.6	L178 I209 N215 L216	L178-T213 HydrophobicContact CB-CG2 3.77Å; L178-T213 HydrophobicContact CD1-CG2 4.33Å; I209-T213 HydrophobicContact CG2-CG2 3.94Å; I209-T213 PolarHBondContact O-N 3.2Å; I209-T213 PolarHBondContact O-OG1 2.79Å; T213-N215 PolarHBondContact O-N 2.81Å; T213-L216 WeakPolarHBondContact O-CB 3.41Å; T213-L216 PolarHBondContact O-N 3.39Å
214	P	93	Very high	93.5	Very high	59 Å²	59	30.2 Å²	30.2	38%	0.383	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.5	-176.8	29.5	-36.3	0	0	0	113.6	H212	H212-P214 WeakPolarHBondContact O-CD 3.42Å
215	N	94.6	Very high	93.6	Very high	76 Å²	76	33.1 Å²	33.1	41%	0.406	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	10.6	-177.4	-65.3	-54.9	0	0	0	113.4	S179 V181 T213 R217	S179-N215 PolarHBondContact O-ND2 2.88Å; V181-N215 CarbonylContact O-C 3.54Å; T213-N215 PolarHBondContact O-N 2.81Å; N215-R217 PolarHBondContact O-N 2.79Å
216	L	97.1	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.			trans	-65.3	126.6	-174.1	-164.9	64.3	0	0	0	111.4	V181 L184 T213 V218 I219 C239 H241 L242	V181-L216 HydrophobicContact CG1-CD1 4.23Å; L184-L216 HydrophobicContact CB-CD1 3.65Å; T213-L216 WeakPolarHBondContact O-CB 3.41Å; T213-L216 PolarHBondContact O-N 3.39Å; L216-V218 WeakPolarHBondContact CD1-O 3.43Å; L216-I219 HydrophobicContact CD2-CB 4.08Å; L216-I219 HydrophobicContact CD2-CD1 4.06Å; L216-I219 HydrophobicContact CD2-CG1 4.34Å; L216-C239 HydrophobicContact CB-CB 4.4Å; L216-H241 CarbonylContact O-C 3.17Å; L216-H241 VanDerWaalsContact O-C 3.26Å; L216-L242 HydrophobicContact CD2-CD2 4.25Å; L216-L242 HydrophobicContact CG-CD2 4.05Å; L216-L242 PolarHBondContact O-N 2.91Å
217	R	97.4	Very high	93.8	Very high	70 Å²	70	31.5 Å²	31.5	26%	0.264	17%	0.169	S	C	.	.			trans	-117.4	-37.3	-178.6	-68.2	169.8	64.2	-149.6	-14.8	112.1	E182 N215 H241 E243 C244	E182-R217 WeakPolarHBondContact O-CA 3.49Å; E182-R217 WeakPolarHBondContact O-CB 3.29Å; E182-R217 PolarHBondContact O-N 3.46Å; E182-R217 IonicContact OE2-NH1 2.8Å; E182-R217 PolarHBondContact OE2-NH1 2.87Å; N215-R217 PolarHBondContact O-N 2.79Å; R217-H241 WeakPolarHBondContact CA-O 3.5Å; R217-H241 HydrophobicContact CG-CB 4.23Å; R217-E243 IonicContact CZ-OE1 3.93Å; R217-E243 IonicContact CZ-OE2 2.91Å; R217-E243 IonicContact NE-OE1 2.71Å; R217-E243 PolarHBondContact NE-OE1 3.12Å; R217-E243 IonicContact NE-OE2 3Å; R217-E243 IonicContact NH2-OE1 3.78Å; R217-E243 PolarHBondContact NH2-OE1 3.18Å; R217-E243 IonicContact NH2-OE2 2.79Å; R217-E243 PolarHBondContact NH2-OE2 3.49Å; R217-E243 PolarHBondContact O-N 2.71Å; R217-C244 PolarHBondContact O-N 3.01Å; R217-C244 VanDerWaalsContact O-N 3.09Å
218	V	97.9	Very high	94.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.9	178	-179.7	0	0	0	0	108.1	E182 I183 L184 L216 C244 D512 L513	E182-V218 PolarHBondContact O-N 3.11Å; I183-V218 WeakPolarHBondContact CA-O 3.45Å; I183-V218 HydrophobicContact CB-CB 4.4Å; I183-V218 HydrophobicContact CG1-CB 4.11Å; I183-V218 HydrophobicContact CG1-CG2 4.29Å; I183-V218 HydrophobicContact CG2-CB 4.08Å; I183-V218 HydrophobicContact CG2-CG1 4.25Å; L184-V218 PolarHBondContact N-O 2.79Å; L216-V218 WeakPolarHBondContact CD1-O 3.43Å; V218-C244 WeakPolarHBondContact CA-O 3.46Å; V218-C244 HydrophobicContact CB-CB 4.39Å; V218-C244 HydrophobicContact CG1-CB 4.06Å; V218-C244 HydrophobicContact CG2-CB 4.03Å; V218-D512 HydrophobicContact CG2-CB 3.98Å; V218-L513 HydrophobicContact CG1-CD2 3.89Å; V218-L513 HydrophobicContact CG1-CG 4.41Å
219	I	97.3	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132	168.6	-163.9	174.8	0	0	0	109.6	L184 L216 L221 L235 L242 C244 V245 A246	L184-I219 WeakPolarHBondContact O-CA 3.38Å; L216-I219 HydrophobicContact CD2-CB 4.08Å; L216-I219 HydrophobicContact CD2-CD1 4.06Å; L216-I219 HydrophobicContact CD2-CG1 4.34Å; I219-L221 HydrophobicContact CD1-CD1 4.21Å; I219-L221 HydrophobicContact CD1-CD2 3.8Å; I219-L221 HydrophobicContact CD1-CG 4.08Å; I219-L221 HydrophobicContact CG1-CD2 3.9Å; I219-L221 HydrophobicContact CG1-CG 4.07Å; I219-L235 HydrophobicContact CD1-CD1 3.57Å; I219-L235 HydrophobicContact CD1-CD2 3.65Å; I219-L235 HydrophobicContact CD1-CG 4.26Å; I219-L242 HydrophobicContact CB-CD2 4.4Å; I219-L242 HydrophobicContact CG2-CD2 4.04Å; I219-C244 PolarHBondContact N-O 3.3Å; I219-V245 HydrophobicContact CG2-CB 4.37Å; I219-V245 HydrophobicContact CG2-CG1 4.29Å; I219-V245 HydrophobicContact CG2-CG2 3.98Å; I219-A246 PolarHBondContact O-N 2.89Å
220	N	97.3	Very high	94.6	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.1	173.9	-176.6	2.2	0	0	0	108.5	L184 H185 L186 F222 A246 L513	L184-N220 PolarHBondContact O-N 3.41Å; H185-N220 WeakPolarHBondContact ND1-CB 3.29Å; H185-N220 PolarHBondContact ND1-ND2 2.92Å; L186-N220 PolarHBondContact N-O 2.84Å; L186-N220 VanDerWaalsContact O-O 3.06Å; N220-F222 WeakPolarHBondContact OD1-CB 3.42Å; N220-F222 PolarHBondContact OD1-N 3.29Å; N220-F222 VanDerWaalsContact OD1-N 3.12Å; N220-A246 HydrophobicContact CB-CB 4.17Å; N220-L513 HydrophobicContact CB-CD2 4.38Å
221	L	96.3	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.			trans	-115.3	32.4	-178	-58.8	-178.5	0	0	0	111.2	L186 I219 G223 I224 I227 L235 A246 L247 C250	L186-L221 HydrophobicContact CB-CD2 3.9Å; L186-L221 HydrophobicContact CD1-CD2 3.8Å; L186-L221 HydrophobicContact CG-CD2 4.09Å; L186-L221 CarbonylContact O-C 3.45Å; L186-L221 VanDerWaalsContact O-CA 3.3Å; L186-L221 WeakPolarHBondContact O-CA 3.46Å; I219-L221 HydrophobicContact CD1-CD1 4.21Å; I219-L221 HydrophobicContact CD1-CD2 3.8Å; I219-L221 HydrophobicContact CD1-CG 4.08Å; I219-L221 HydrophobicContact CG1-CD2 3.9Å; I219-L221 HydrophobicContact CG1-CG 4.07Å; L221-G223 PolarHBondContact O-N 2.83Å; L221-I224 HydrophobicContact CB-CD1 4.16Å; L221-I224 HydrophobicContact CD2-CD1 4.17Å; L221-I224 WeakPolarHBondContact O-CG1 3.42Å; L221-I224 PolarHBondContact O-N 3.13Å; L221-I227 HydrophobicContact CD1-CD1 4.02Å; L221-I227 HydrophobicContact CD1-CG1 4.19Å; L221-I227 HydrophobicContact CD1-CG2 4.07Å; L221-L235 HydrophobicContact CD1-CD1 4.02Å; L221-A246 PolarHBondContact N-O 3Å; L221-L247 HydrophobicContact CB-CD2 4.15Å; L221-L247 HydrophobicContact CD1-CD2 3.8Å; L221-L247 HydrophobicContact CG-CD2 4.3Å; L221-C250 PolarHBondContact O-SG 2.95Å
222	F	95.2	Very high	95.1	Very high	52 Å²	52	28 Å²	28	23%	0.228	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	125.2	-174.4	-176.9	-82.9	0	0	0	112.6	L186 I187 G188 F190 N220 I224 N248 F249	L186-F222 PolarHBondContact O-N 3.33Å; I187-F222 HydrophobicContact CD1-CB 3.95Å; I187-F222 HydrophobicContact CG2-CD1 4.24Å; G188-F222 PolarHBondContact N-O 3.37Å; F190-F222 HydrophobicContact CB-CE1 4.48Å; N220-F222 WeakPolarHBondContact OD1-CB 3.42Å; N220-F222 PolarHBondContact OD1-N 3.29Å; N220-F222 VanDerWaalsContact OD1-N 3.12Å; F222-I224 VanDerWaalsContact C-N 3.28Å; F222-I224 PolarHBondContact O-N 3.11Å; F222-N248 WeakPolarHBondContact CA-O 3.4Å; F222-N248 HydrophobicContact CD2-CB 3.93Å; F222-N248 HydrophobicContact CE2-CB 4.24Å; F222-F249 AromaticContact CD2-CD2 3.95Å; F222-F249 HydrophobicContact CD2-CD2 3.95Å; F222-F249 HydrophobicContact CD2-CE2 4.41Å; F222-F249 HydrophobicContact CE1-CD2 4.24Å; F222-F249 AromaticContact CE2-CD2 3.27Å; F222-F249 HydrophobicContact CE2-CD2 3.27Å; F222-F249 AromaticContact CE2-CE2 3.42Å; F222-F249 HydrophobicContact CE2-CE2 3.42Å; F222-F249 VanDerWaalsContact CE2-CE2 3.42Å; F222-F249 HydrophobicContact CE2-CG 4.45Å; F222-F249 AromaticContact CZ-CD2 3.43Å; F222-F249 HydrophobicContact CZ-CD2 3.43Å; F222-F249 VanDerWaalsContact CZ-CD2 3.43Å; F222-F249 AromaticContact CZ-CE2 3.65Å; F222-F249 HydrophobicContact CZ-CE2 3.65Å; F222-F249 HydrophobicContact CZ-CG 4.31Å
223	G	92.5	Very high	95.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	27.4	169	0	0	0	0	0	115.1	L221 N248	L221-G223 PolarHBondContact O-N 2.83Å; G223-N248 PolarHBondContact N-O 3.19Å
224	I	91.4	Very high	95.3	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.157	C	C	.	.			trans	-93.9	107.2	176.9	-56.6	180	0	0	0	110	L161 L186 L221 F222 F226 I227	L161-I224 HydrophobicContact CD1-CD1 3.71Å; L161-I224 HydrophobicContact CD1-CG1 4.08Å; L186-I224 HydrophobicContact CB-CD1 3.51Å; L186-I224 WeakPolarHBondContact O-CD1 3.33Å; L221-I224 HydrophobicContact CB-CD1 4.16Å; L221-I224 HydrophobicContact CD2-CD1 4.17Å; L221-I224 WeakPolarHBondContact O-CG1 3.42Å; L221-I224 PolarHBondContact O-N 3.13Å; F222-I224 VanDerWaalsContact C-N 3.28Å; F222-I224 PolarHBondContact O-N 3.11Å; I224-F226 VanDerWaalsContact C-N 3.35Å; I224-F226 HydrophobicContact CG2-CD1 3.34Å; I224-F226 HydrophobicContact CG2-CE1 3.15Å; I224-F226 HydrophobicContact CG2-CE2 4.44Å; I224-F226 HydrophobicContact CG2-CG 4.07Å; I224-F226 HydrophobicContact CG2-CZ 3.76Å; I224-F226 PolarHBondContact O-N 2.82Å; I224-I227 HydrophobicContact CB-CB 4.46Å; I224-I227 HydrophobicContact CB-CG1 3.69Å; I224-I227 HydrophobicContact CD1-CG1 4.5Å; I224-I227 HydrophobicContact CG2-CD1 4.42Å; I224-I227 HydrophobicContact CG2-CG1 3.56Å; I224-I227 PolarHBondContact O-N 2.9Å; I224-I227 VanDerWaalsContact O-N 3.17Å
225	N	88.7	Confident	95.3	Very high	64 Å²	64	28.1 Å²	28.1	34%	0.342	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33	-173.1	-67.4	-18.8	0	0	0	114.5	I227 N252	N225-I227 VanDerWaalsContact C-N 3.28Å; N225-I227 PolarHBondContact O-N 3.08Å; N225-N252 PolarHBondContact O-ND2 3.45Å
226	F	90.5	Very high	95.3	Very high	17 Å²	17	24.5 Å²	24.5	8%	0.075	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.8	179.9	76.3	-98.2	0	0	0	114.1	I200 Y201 E202 V203 I204 I206 I224 E228 H231	I200-F226 HydrophobicContact CG2-CB 3.46Å; I200-F226 VanDerWaalsContact CG2-CB 3.46Å; Y201-F226 WeakPolarHBondContact O-CD1 3.42Å; E202-F226 HydrophobicContact CB-CD2 4.32Å; E202-F226 HydrophobicContact CB-CE2 4.48Å; E202-F226 HydrophobicContact CG-CD2 3.77Å; E202-F226 HydrophobicContact CG-CE2 4.22Å; E202-F226 HydrophobicContact CG-CG 4.3Å; V203-F226 HydrophobicContact CG2-CD1 4.23Å; V203-F226 HydrophobicContact CG2-CE1 3.57Å; V203-F226 HydrophobicContact CG2-CZ 4.46Å; I204-F226 HydrophobicContact CB-CZ 4.32Å; I204-F226 WeakPolarHBondContact O-CE2 3.31Å; I204-F226 WeakPolarHBondContact O-CZ 3.47Å; I206-F226 HydrophobicContact CG1-CE2 4.16Å; I224-F226 VanDerWaalsContact C-N 3.35Å; I224-F226 HydrophobicContact CG2-CD1 3.34Å; I224-F226 HydrophobicContact CG2-CE1 3.15Å; I224-F226 HydrophobicContact CG2-CE2 4.44Å; I224-F226 HydrophobicContact CG2-CG 4.07Å; I224-F226 HydrophobicContact CG2-CZ 3.76Å; I224-F226 PolarHBondContact O-N 2.82Å; F226-E228 PolarHBondContact O-N 3.37Å; F226-H231 AromaticContact CD2-NE2 3.93Å; F226-H231 PolarHBondContact O-CE1 3.11Å; F226-H231 PolarHBondContact O-ND1 3Å
227	I	94.3	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.			trans	-75.2	123.2	-179.2	-65.3	-64.6	0	0	0	110.6	I206 L221 I224 N225 H231 L247 C250 N252 V253	I206-I227 HydrophobicContact CD1-CD1 3.95Å; I206-I227 HydrophobicContact CG1-CD1 3.74Å; L221-I227 HydrophobicContact CD1-CD1 4.02Å; L221-I227 HydrophobicContact CD1-CG1 4.19Å; L221-I227 HydrophobicContact CD1-CG2 4.07Å; I224-I227 HydrophobicContact CB-CB 4.46Å; I224-I227 HydrophobicContact CB-CG1 3.69Å; I224-I227 HydrophobicContact CD1-CG1 4.5Å; I224-I227 HydrophobicContact CG2-CD1 4.42Å; I224-I227 HydrophobicContact CG2-CG1 3.56Å; I224-I227 PolarHBondContact O-N 2.9Å; I224-I227 VanDerWaalsContact O-N 3.17Å; N225-I227 VanDerWaalsContact C-N 3.28Å; N225-I227 PolarHBondContact O-N 3.08Å; I227-H231 HydrophobicContact CD1-CB 4.06Å; I227-L247 HydrophobicContact CG2-CD2 4.41Å; I227-C250 HydrophobicContact CB-CB 4.41Å; I227-C250 HydrophobicContact CG2-CB 4.36Å; I227-N252 WeakPolarHBondContact O-CB 3.26Å; I227-V253 HydrophobicContact CG2-CG2 3.94Å
228	E	96	Very high	94.6	Very high	91 Å²	91	26.8 Å²	26.8	43%	0.425	14%	0.142	S	C	.	.			trans	-134.1	176.8	177.4	57	164.4	-144.4	0	0	110.5	F226 S230 H231 V232 N252	F226-E228 PolarHBondContact O-N 3.37Å; E228-S230 VanDerWaalsContact C-N 3.27Å; E228-S230 WeakPolarHBondContact CG-OG 3.41Å; E228-S230 PolarHBondContact O-N 2.97Å; E228-S230 WeakPolarHBondContact OE1-CB 3.5Å; E228-S230 PolarHBondContact OE1-OG 2.92Å; E228-H231 WeakPolarHBondContact CG-ND1 3.38Å; E228-H231 PolarHBondContact N-ND1 3.05Å; E228-H231 WeakPolarHBondContact O-CB 3.37Å; E228-H231 PolarHBondContact O-N 3.47Å; E228-V232 PolarHBondContact O-N 3.15Å; E228-N252 HydrophobicContact CB-CB 4.03Å
229	D	98.5	Very high	94.1	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-56.3	-35.6	-176.1	-76.1	-83.1	0	0	0	114.3	H231 V232 E233 K254 G255 S256 S257	D229-H231 PolarHBondContact O-N 3.35Å; D229-V232 PolarHBondContact O-N 3.02Å; D229-E233 WeakPolarHBondContact O-CG 3.44Å; D229-E233 PolarHBondContact O-N 3.12Å; D229-K254 WeakPolarHBondContact OD2-CA 3.29Å; D229-K254 WeakPolarHBondContact OD2-CB 3.36Å; D229-K254 PolarHBondContact OD2-N 3.01Å; D229-G255 VanDerWaalsContact OD1-C 3.24Å; D229-G255 VanDerWaalsContact OD1-CA 3.27Å; D229-G255 WeakPolarHBondContact OD1-CA 3.43Å; D229-G255 PolarHBondContact OD1-N 2.92Å; D229-G255 PolarHBondContact OD2-N 3.14Å; D229-G255 VanDerWaalsContact OD2-N 3.12Å; D229-S256 WeakPolarHBondContact CB-OG 3.47Å; D229-S256 PolarHBondContact OD1-N 2.93Å; D229-S256 PolarHBondContact OD1-OG 2.79Å; D229-S257 VanDerWaalsContact O-CB 3.3Å; D229-S257 WeakPolarHBondContact O-CB 3.41Å; D229-S257 VanDerWaalsContact OD1-CB 3.27Å; D229-S257 WeakPolarHBondContact OD1-CB 3.26Å; D229-S257 PolarHBondContact OD1-N 3.03Å; D229-S257 PolarHBondContact OD1-OG 3.29Å
230	S	97.1	Very high	93.8	Very high	49 Å²	49	31.2 Å²	31.2	34%	0.343	17%	0.165	S	C	.	.	H	α-helix	trans	-58.3	-37.6	177.1	70.2	0	0	0	0	112	E228 E233 L234	E228-S230 VanDerWaalsContact C-N 3.27Å; E228-S230 WeakPolarHBondContact CG-OG 3.41Å; E228-S230 PolarHBondContact O-N 2.97Å; E228-S230 WeakPolarHBondContact OE1-CB 3.5Å; E228-S230 PolarHBondContact OE1-OG 2.92Å; S230-E233 PolarHBondContact O-N 3.26Å; S230-L234 WeakPolarHBondContact O-CG 3.4Å; S230-L234 PolarHBondContact O-N 3.01Å; S230-L234 VanDerWaalsContact O-N 3.14Å
231	H	96.7	Very high	93.7	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-38.1	175.5	-60.1	98.6	0	0	0	112.2	E202 I206 F226 I227 E228 D229 L234 L235	E202-H231 IonicContact OE1-NE2 2.74Å; I206-H231 HydrophobicContact CB-CB 4.47Å; I206-H231 HydrophobicContact CG1-CB 4.33Å; I206-H231 HydrophobicContact CG2-CB 4.37Å; F226-H231 AromaticContact CD2-NE2 3.93Å; F226-H231 PolarHBondContact O-CE1 3.11Å; F226-H231 PolarHBondContact O-ND1 3Å; I227-H231 HydrophobicContact CD1-CB 4.06Å; E228-H231 WeakPolarHBondContact CG-ND1 3.38Å; E228-H231 PolarHBondContact N-ND1 3.05Å; E228-H231 WeakPolarHBondContact O-CB 3.37Å; E228-H231 PolarHBondContact O-N 3.47Å; D229-H231 PolarHBondContact O-N 3.35Å; H231-L234 WeakPolarHBondContact O-CB 3.42Å; H231-L234 PolarHBondContact O-N 3.14Å; H231-L235 WeakPolarHBondContact O-CG 3.45Å; H231-L235 PolarHBondContact O-N 2.95Å
232	V	97.2	Very high	93.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-37.8	176.9	-178.2	0	0	0	0	110.7	E228 D229 L234 L235 A236 L247 V253 S257 L261	E228-V232 PolarHBondContact O-N 3.15Å; D229-V232 PolarHBondContact O-N 3.02Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3Å; V232-A236 WeakPolarHBondContact O-CB 3.3Å; V232-A236 PolarHBondContact O-N 3.32Å; V232-L247 HydrophobicContact CG2-CD1 3.92Å; V232-L247 HydrophobicContact CG2-CD2 4.28Å; V232-V253 HydrophobicContact CG2-CG2 4.42Å; V232-S257 WeakPolarHBondContact CB-OG 3.08Å; V232-S257 WeakPolarHBondContact CG1-OG 3.28Å; V232-L261 HydrophobicContact CG1-CD2 4.45Å
233	E	96.9	Very high	93.9	Very high	80 Å²	80	32.1 Å²	32.1	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-62.8	-39.3	173.7	-71.2	179.2	-179.7	0	0	112.6	D229 S230 L235 A236 S237 L260	D229-E233 WeakPolarHBondContact O-CG 3.44Å; D229-E233 PolarHBondContact O-N 3.12Å; S230-E233 PolarHBondContact O-N 3.26Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 2.9Å; E233-A236 PolarHBondContact O-N 3.23Å; E233-S237 WeakPolarHBondContact O-CB 3.37Å; E233-S237 PolarHBondContact O-N 3.44Å; E233-S237 PolarHBondContact O-OG 3.12Å; E233-L260 HydrophobicContact CB-CD2 3.86Å; E233-L260 HydrophobicContact CG-CD2 3.99Å
234	L	95	Very high	94.2	Very high	48 Å²	48	32.1 Å²	32.1	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-58	-47.5	172.8	-71.7	173.7	0	0	0	110.5	K210 S230 H231 V232 S237	K210-L234 HydrophobicContact CD-CB 4.06Å; K210-L234 HydrophobicContact CD-CD2 4.12Å; K210-L234 WeakPolarHBondContact CD-O 3.36Å; K210-L234 VanDerWaalsContact CE-O 3.24Å; K210-L234 WeakPolarHBondContact CE-O 2.97Å; K210-L234 WeakPolarHBondContact CG-O 3.42Å; S230-L234 WeakPolarHBondContact O-CG 3.4Å; S230-L234 PolarHBondContact O-N 3.01Å; S230-L234 VanDerWaalsContact O-N 3.14Å; H231-L234 WeakPolarHBondContact O-CB 3.42Å; H231-L234 PolarHBondContact O-N 3.14Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3Å; L234-S237 PolarHBondContact O-N 3.12Å; L234-S237 PolarHBondContact O-OG 3.34Å
235	L	94.4	Very high	94.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-46.3	177	-66	166.9	0	0	0	112	I206 I219 L221 H231 V232 E233 S237 N238 C239	I206-L235 HydrophobicContact CG2-CD1 4.31Å; I206-L235 HydrophobicContact CG2-CD2 3.99Å; I206-L235 HydrophobicContact CG2-CG 3.91Å; I219-L235 HydrophobicContact CD1-CD1 3.57Å; I219-L235 HydrophobicContact CD1-CD2 3.65Å; I219-L235 HydrophobicContact CD1-CG 4.26Å; L221-L235 HydrophobicContact CD1-CD1 4.02Å; H231-L235 WeakPolarHBondContact O-CG 3.45Å; H231-L235 PolarHBondContact O-N 2.95Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 2.9Å; L235-S237 PolarHBondContact O-N 2.92Å; L235-N238 PolarHBondContact O-N 3.14Å; L235-C239 VanDerWaalsContact O-CB 3.28Å; L235-C239 WeakPolarHBondContact O-CB 3.46Å; L235-C239 PolarHBondContact O-N 3.47Å; L235-C239 PolarHBondContact O-SG 3.37Å
236	A	94.1	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-30	-179.2	0	0	0	0	0	113.7	V232 E233 L260 L261 N264	V232-A236 WeakPolarHBondContact O-CB 3.3Å; V232-A236 PolarHBondContact O-N 3.32Å; E233-A236 PolarHBondContact O-N 3.23Å; A236-L260 HydrophobicContact CB-CD2 4.37Å; A236-L260 HydrophobicContact CB-CG 4.16Å; A236-L261 HydrophobicContact CB-CB 4.29Å; A236-L261 HydrophobicContact CB-CD1 3.89Å; A236-N264 WeakPolarHBondContact O-CB 3.49Å; A236-N264 PolarHBondContact O-ND2 2.75Å
237	S	92.6	Very high	95.4	Very high	51 Å²	51	28.1 Å²	28.1	36%	0.357	15%	0.149	S	C	.	.	H	α-helix	trans	-79.7	-19	-175.5	48.9	0	0	0	0	115	K210 E233 L234 L235	K210-S237 WeakPolarHBondContact CE-OG 3.37Å; K210-S237 PolarHBondContact NZ-OG 3.38Å; E233-S237 WeakPolarHBondContact O-CB 3.37Å; E233-S237 PolarHBondContact O-N 3.44Å; E233-S237 PolarHBondContact O-OG 3.12Å; L234-S237 PolarHBondContact O-N 3.12Å; L234-S237 PolarHBondContact O-OG 3.34Å; L235-S237 PolarHBondContact O-N 2.92Å
238	N	86.9	Confident	95.5	Very high	67 Å²	67	28.6 Å²	28.6	36%	0.358	15%	0.151	S	C	.	.	H	α-helix	trans	-124	-27.1	179.9	-157.9	48	0	0	0	114	K210 L235 I240	K210-N238 HydrophobicContact CD-CB 4.26Å; K210-N238 HydrophobicContact CG-CB 3.5Å; K210-N238 VanDerWaalsContact CG-CB 3.5Å; K210-N238 PolarHBondContact O-ND2 3.31Å; L235-N238 PolarHBondContact O-N 3.14Å; N238-I240 VanDerWaalsContact C-N 3.33Å; N238-I240 PolarHBondContact O-N 3.26Å; N238-I240 VanDerWaalsContact O-N 3.08Å
239	C	87.4	Confident	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.			trans	-90.9	65.6	-173.6	-52.1	0	0	0	0	111.2	L216 L235 H241 L242 C265	L216-C239 HydrophobicContact CB-CB 4.4Å; L235-C239 VanDerWaalsContact O-CB 3.28Å; L235-C239 WeakPolarHBondContact O-CB 3.46Å; L235-C239 PolarHBondContact O-N 3.47Å; L235-C239 PolarHBondContact O-SG 3.37Å; C239-H241 PolarHBondContact O-N 3.27Å; C239-L242 HydrophobicContact CB-CD1 3.63Å; C239-L242 HydrophobicContact CB-CD2 4.33Å; C239-L242 HydrophobicContact CB-CG 3.6Å; C239-L242 WeakPolarHBondContact O-CB 3.49Å; C239-L242 VanDerWaalsContact O-CG 3.3Å; C239-L242 WeakPolarHBondContact O-CG 3.45Å; C239-L242 PolarHBondContact O-N 2.89Å; C239-L242 VanDerWaalsContact O-N 3.13Å; C239-C265 PolarHBondContact O-SG 3.08Å
240	I	91.2	Very high	95.3	Very high	94 Å²	94	25.3 Å²	25.3	48%	0.482	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.4	-177.3	63.5	167.8	0	0	0	114.2	N238	N238-I240 VanDerWaalsContact C-N 3.33Å; N238-I240 PolarHBondContact O-N 3.26Å; N238-I240 VanDerWaalsContact O-N 3.08Å
241	H	95.9	Very high	95.2	Very high	60 Å²	60	26 Å²	26	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.6	178.4	-66.9	-28.3	0	0	0	113.9	L216 R217 C239 E243 K267	L216-H241 CarbonylContact O-C 3.17Å; L216-H241 VanDerWaalsContact O-C 3.26Å; R217-H241 WeakPolarHBondContact CA-O 3.5Å; R217-H241 HydrophobicContact CG-CB 4.23Å; C239-H241 PolarHBondContact O-N 3.27Å; H241-E243 PolarHBondContact O-N 3.35Å; H241-K267 PolarHBondContact ND1-NZ 2.7Å
242	L	97.4	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.			trans	-56	127	176.3	-75.1	173.2	0	0	0	111.2	L216 I219 C239 V245 C265 K267 L268	L216-L242 HydrophobicContact CD2-CD2 4.25Å; L216-L242 HydrophobicContact CG-CD2 4.05Å; L216-L242 PolarHBondContact O-N 2.91Å; I219-L242 HydrophobicContact CB-CD2 4.4Å; I219-L242 HydrophobicContact CG2-CD2 4.04Å; C239-L242 HydrophobicContact CB-CD1 3.63Å; C239-L242 HydrophobicContact CB-CD2 4.33Å; C239-L242 HydrophobicContact CB-CG 3.6Å; C239-L242 WeakPolarHBondContact O-CB 3.49Å; C239-L242 VanDerWaalsContact O-CG 3.3Å; C239-L242 WeakPolarHBondContact O-CG 3.45Å; C239-L242 PolarHBondContact O-N 2.89Å; C239-L242 VanDerWaalsContact O-N 3.13Å; L242-V245 HydrophobicContact CD1-CG2 4.02Å; L242-V245 HydrophobicContact CD2-CG2 4.44Å; L242-C265 HydrophobicContact CB-CB 4.22Å; L242-K267 CarbonylContact O-C 3.34Å; L242-K267 WeakPolarHBondContact O-CB 3.33Å; L242-L268 WeakPolarHBondContact O-CA 3.46Å; L242-L268 PolarHBondContact O-N 3.12Å
243	E	98.1	Very high	95.1	Very high	20 Å²	20	28 Å²	28	9%	0.093	15%	0.146	C	C	.	.			trans	-114.2	-28.8	177.4	-70	170.5	-161.9	0	0	111	R217 H241 K267 T269 T270 R509	R217-E243 IonicContact CZ-OE1 3.93Å; R217-E243 IonicContact CZ-OE2 2.91Å; R217-E243 IonicContact NE-OE1 2.71Å; R217-E243 PolarHBondContact NE-OE1 3.12Å; R217-E243 IonicContact NE-OE2 3Å; R217-E243 IonicContact NH2-OE1 3.78Å; R217-E243 PolarHBondContact NH2-OE1 3.18Å; R217-E243 IonicContact NH2-OE2 2.79Å; R217-E243 PolarHBondContact NH2-OE2 3.49Å; R217-E243 PolarHBondContact O-N 2.71Å; H241-E243 PolarHBondContact O-N 3.35Å; E243-K267 WeakPolarHBondContact CA-O 3.22Å; E243-K267 HydrophobicContact CG-CB 4.03Å; E243-T269 PolarHBondContact O-N 2.95Å; E243-T269 PolarHBondContact O-OG1 2.91Å; E243-T270 PolarHBondContact O-N 3.17Å; E243-T270 VanDerWaalsContact O-N 3.14Å; E243-R509 IonicContact OE2-CZ 3.64Å; E243-R509 IonicContact OE2-NE 2.73Å; E243-R509 PolarHBondContact OE2-NE 3.29Å; E243-R509 IonicContact OE2-NH2 3.22Å; E243-R509 PolarHBondContact OE2-NH2 2.65Å
244	C	98.4	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	130.7	178.8	-179.1	0	0	0	0	111.1	R217 V218 I219 T270 R509	R217-C244 PolarHBondContact O-N 3.01Å; R217-C244 VanDerWaalsContact O-N 3.09Å; V218-C244 WeakPolarHBondContact CA-O 3.46Å; V218-C244 HydrophobicContact CB-CB 4.39Å; V218-C244 HydrophobicContact CG1-CB 4.06Å; V218-C244 HydrophobicContact CG2-CB 4.03Å; I219-C244 PolarHBondContact N-O 3.3Å; C244-T270 WeakPolarHBondContact CA-O 3.22Å; C244-T270 HydrophobicContact CB-CG2 4.48Å; C244-R509 HydrophobicContact CB-CB 4.35Å; C244-R509 HydrophobicContact CB-CG 4.31Å
245	V	98.2	Very high	95.4	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.4	172.5	173.8	0	0	0	0	107.6	I219 L242 L247 L261 L268 T270 L271 L272	I219-V245 HydrophobicContact CG2-CB 4.37Å; I219-V245 HydrophobicContact CG2-CG1 4.29Å; I219-V245 HydrophobicContact CG2-CG2 3.98Å; L242-V245 HydrophobicContact CD1-CG2 4.02Å; L242-V245 HydrophobicContact CD2-CG2 4.44Å; V245-L247 HydrophobicContact CG1-CD1 3.98Å; V245-L247 HydrophobicContact CG1-CD2 4.08Å; V245-L247 HydrophobicContact CG1-CG 3.79Å; V245-L261 HydrophobicContact CG2-CD1 4.33Å; V245-L268 HydrophobicContact CB-CD1 4.21Å; V245-L268 HydrophobicContact CG2-CD1 3.79Å; V245-T270 PolarHBondContact N-O 3.08Å; V245-L271 HydrophobicContact CB-CD1 4.06Å; V245-L271 HydrophobicContact CG1-CD1 4.1Å; V245-L271 WeakPolarHBondContact O-CA 3.34Å; V245-L272 PolarHBondContact O-N 3.29Å
246	A	98.1	Very high	95.6	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.5	175.8	0	0	0	0	0	109.6	I219 N220 L221 L272 L513	I219-A246 PolarHBondContact O-N 2.89Å; N220-A246 HydrophobicContact CB-CB 4.17Å; L221-A246 PolarHBondContact N-O 3Å; A246-L272 HydrophobicContact CB-CB 4.1Å; A246-L272 HydrophobicContact CB-CD1 3.94Å; A246-L272 HydrophobicContact CB-CG 4.27Å; A246-L513 HydrophobicContact CB-CD2 4.21Å
247	L	98	Very high	95.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.			trans	-122.9	19.1	-177.2	-57	172.1	0	0	0	111	L221 I227 V232 V245 F249 C250 V253 F258 L272 L273 C276	L221-L247 HydrophobicContact CB-CD2 4.15Å; L221-L247 HydrophobicContact CD1-CD2 3.8Å; L221-L247 HydrophobicContact CG-CD2 4.3Å; I227-L247 HydrophobicContact CG2-CD2 4.41Å; V232-L247 HydrophobicContact CG2-CD1 3.92Å; V232-L247 HydrophobicContact CG2-CD2 4.28Å; V245-L247 HydrophobicContact CG1-CD1 3.98Å; V245-L247 HydrophobicContact CG1-CD2 4.08Å; V245-L247 HydrophobicContact CG1-CG 3.79Å; L247-F249 PolarHBondContact O-N 2.96Å; L247-C250 HydrophobicContact CB-CB 4.4Å; L247-C250 VanDerWaalsContact O-CB 3.25Å; L247-C250 WeakPolarHBondContact O-CB 3.38Å; L247-C250 PolarHBondContact O-N 2.92Å; L247-C250 PolarHBondContact O-SG 2.77Å; L247-C250 VanDerWaalsContact O-SG 3.36Å; L247-V253 HydrophobicContact CD1-CG1 4.09Å; L247-V253 HydrophobicContact CD1-CG2 4.36Å; L247-F258 HydrophobicContact CD1-CE1 4.15Å; L247-L272 PolarHBondContact N-O 3.4Å; L247-L273 HydrophobicContact CB-CD2 4.17Å; L247-L273 HydrophobicContact CD1-CD2 3.96Å; L247-L273 HydrophobicContact CG-CD2 4.47Å; L247-C276 PolarHBondContact O-SG 3.17Å
248	N	97.1	Very high	96.1	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.048	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	132.9	-177.9	-65.6	16.7	0	0	0	109.9	F222 G223 C250 L272 L273 E274	F222-N248 WeakPolarHBondContact CA-O 3.4Å; F222-N248 HydrophobicContact CD2-CB 3.93Å; F222-N248 HydrophobicContact CE2-CB 4.24Å; G223-N248 PolarHBondContact N-O 3.19Å; N248-C250 PolarHBondContact O-N 3.38Å; N248-L272 WeakPolarHBondContact OD1-CB 3.41Å; N248-L272 PolarHBondContact OD1-O 3.38Å; N248-L273 PolarHBondContact OD1-N 2.73Å; N248-E274 CarbonylContact C-O 3.58Å; N248-E274 VanDerWaalsContact CA-O 3.28Å; N248-E274 WeakPolarHBondContact CA-O 3.43Å; N248-E274 HydrophobicContact CB-CB 3.99Å; N248-E274 PolarHBondContact ND2-OE2 2.78Å; N248-E274 PolarHBondContact OD1-N 3.03Å
249	F	95.6	Very high	96.6	Very high	33 Å²	33	24 Å²	24	15%	0.145	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	13.6	-179.9	-53.3	-87.7	0	0	0	115.4	F190 F222 L247 L251 E274 H275	F190-F249 HydrophobicContact CB-CB 4.36Å; F190-F249 AromaticContact CD1-CD1 3.8Å; F190-F249 HydrophobicContact CD1-CD1 3.8Å; F190-F249 HydrophobicContact CD1-CE1 4.31Å; F190-F249 HydrophobicContact CD1-CG 4.4Å; F190-F249 HydrophobicContact CD2-CB 3.57Å; F190-F249 AromaticContact CD2-CD1 3.93Å; F190-F249 HydrophobicContact CD2-CD1 3.93Å; F190-F249 HydrophobicContact CD2-CG 4.1Å; F190-F249 AromaticContact CE1-CD1 3.68Å; F190-F249 HydrophobicContact CE1-CD1 3.68Å; F190-F249 HydrophobicContact CE1-CE1 4.08Å; F190-F249 HydrophobicContact CE2-CB 3.97Å; F190-F249 AromaticContact CE2-CD1 3.8Å; F190-F249 HydrophobicContact CE2-CD1 3.8Å; F190-F249 HydrophobicContact CE2-CG 4.34Å; F190-F249 HydrophobicContact CG-CB 3.96Å; F190-F249 AromaticContact CG-CD1 3.91Å; F190-F249 HydrophobicContact CG-CD1 3.91Å; F190-F249 HydrophobicContact CG-CG 4.11Å; F190-F249 AromaticContact CZ-CD1 3.68Å; F190-F249 HydrophobicContact CZ-CD1 3.68Å; F190-F249 HydrophobicContact CZ-CE1 4.37Å; F222-F249 AromaticContact CD2-CD2 3.95Å; F222-F249 HydrophobicContact CD2-CD2 3.95Å; F222-F249 HydrophobicContact CD2-CE2 4.41Å; F222-F249 HydrophobicContact CE1-CD2 4.24Å; F222-F249 AromaticContact CE2-CD2 3.27Å; F222-F249 HydrophobicContact CE2-CD2 3.27Å; F222-F249 AromaticContact CE2-CE2 3.42Å; F222-F249 HydrophobicContact CE2-CE2 3.42Å; F222-F249 VanDerWaalsContact CE2-CE2 3.42Å; F222-F249 HydrophobicContact CE2-CG 4.45Å; F222-F249 AromaticContact CZ-CD2 3.43Å; F222-F249 HydrophobicContact CZ-CD2 3.43Å; F222-F249 VanDerWaalsContact CZ-CD2 3.43Å; F222-F249 AromaticContact CZ-CE2 3.65Å; F222-F249 HydrophobicContact CZ-CE2 3.65Å; F222-F249 HydrophobicContact CZ-CG 4.31Å; L247-F249 PolarHBondContact O-N 2.96Å; F249-L251 PolarHBondContact O-N 3.4Å; F249-E274 HydrophobicContact CE2-CG 4.17Å; F249-E274 HydrophobicContact CZ-CG 4.03Å; F249-E274 PolarHBondContact N-O 3.08Å; F249-H275 HydrophobicContact CD1-CB 3.72Å; F249-H275 AromaticContact CD1-CD2 3.77Å; F249-H275 HydrophobicContact CE1-CB 3.85Å; F249-H275 HydrophobicContact CG-CB 4.38Å
250	C	95	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.			trans	-82.7	87.8	168.2	-61.2	0	0	0	0	110.7	L221 I227 L247 N248 N252 V253	L221-C250 PolarHBondContact O-SG 2.95Å; I227-C250 HydrophobicContact CB-CB 4.41Å; I227-C250 HydrophobicContact CG2-CB 4.36Å; L247-C250 HydrophobicContact CB-CB 4.4Å; L247-C250 VanDerWaalsContact O-CB 3.25Å; L247-C250 WeakPolarHBondContact O-CB 3.38Å; L247-C250 PolarHBondContact O-N 2.92Å; L247-C250 PolarHBondContact O-SG 2.77Å; L247-C250 VanDerWaalsContact O-SG 3.36Å; N248-C250 PolarHBondContact O-N 3.38Å; C250-N252 PolarHBondContact O-N 3.27Å; C250-V253 HydrophobicContact CB-CB 4.41Å; C250-V253 HydrophobicContact CB-CG2 3.68Å; C250-V253 PolarHBondContact O-N 3.47Å; C250-V253 VanDerWaalsContact O-N 3.16Å
251	L	94.1	Very high	97.3	Very high	62 Å²	62	22.4 Å²	22.4	33%	0.325	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.3	-174.4	-64.5	175.7	0	0	0	114.2	F190 F249 V253 K254 H275 G277	F190-L251 HydrophobicContact CE2-CD1 4.45Å; F249-L251 PolarHBondContact O-N 3.4Å; L251-V253 VanDerWaalsContact C-N 3.33Å; L251-K254 PolarHBondContact O-NZ 3.16Å; L251-H275 WeakPolarHBondContact CD2-O 3.28Å; L251-G277 WeakPolarHBondContact O-CA 3.35Å; L251-G277 PolarHBondContact O-N 3.02Å
252	N	95.2	Very high	97.4	Very high	56 Å²	56	19.9 Å²	19.9	30%	0.299	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.1	-179.3	-70.9	-37.8	0	0	0	114.1	N225 I227 E228 C250 K254	N225-N252 PolarHBondContact O-ND2 3.45Å; I227-N252 WeakPolarHBondContact O-CB 3.26Å; E228-N252 HydrophobicContact CB-CB 4.03Å; C250-N252 PolarHBondContact O-N 3.27Å; N252-K254 PolarHBondContact O-N 3.12Å
253	V	98.1	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.			trans	-80.2	116.1	169.9	178.6	0	0	0	0	109.9	I227 V232 L247 C250 L251 F258 G277 L278	I227-V253 HydrophobicContact CG2-CG2 3.94Å; V232-V253 HydrophobicContact CG2-CG2 4.42Å; L247-V253 HydrophobicContact CD1-CG1 4.09Å; L247-V253 HydrophobicContact CD1-CG2 4.36Å; C250-V253 HydrophobicContact CB-CB 4.41Å; C250-V253 HydrophobicContact CB-CG2 3.68Å; C250-V253 PolarHBondContact O-N 3.47Å; C250-V253 VanDerWaalsContact O-N 3.16Å; L251-V253 VanDerWaalsContact C-N 3.33Å; V253-F258 HydrophobicContact CG1-CE1 4.1Å; V253-F258 HydrophobicContact CG1-CZ 3.87Å; V253-G277 CarbonylContact O-C 3.6Å; V253-G277 VanDerWaalsContact O-C 3.28Å; V253-G277 PolarHBondContact O-N 3.45Å; V253-L278 HydrophobicContact CG1-CD2 4.39Å; V253-L278 PolarHBondContact O-N 2.99Å
254	K	98.5	Very high	97.3	Very high	65 Å²	65	24 Å²	24	28%	0.283	14%	0.135	S	C	.	.			trans	-103.8	-20.9	-178.1	-49.2	-51.9	178	-168	0	112.8	D229 L251 N252 G277 L278 K279 F282	D229-K254 WeakPolarHBondContact OD2-CA 3.29Å; D229-K254 WeakPolarHBondContact OD2-CB 3.36Å; D229-K254 PolarHBondContact OD2-N 3.01Å; L251-K254 PolarHBondContact O-NZ 3.16Å; N252-K254 PolarHBondContact O-N 3.12Å; K254-G277 WeakPolarHBondContact CD-O 3.33Å; K254-L278 WeakPolarHBondContact O-CA 3.28Å; K254-K279 HydrophobicContact CB-CG 4.12Å; K254-K279 HydrophobicContact CD-CG 4.39Å; K254-K279 PolarHBondContact O-N 3.4Å; K254-F282 HydrophobicContact CB-CD2 3.81Å; K254-F282 HydrophobicContact CB-CE2 3.91Å
255	G	98.6	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	104.4	2	172.9	0	0	0	0	0	115.4	D229 S257 F258	D229-G255 VanDerWaalsContact OD1-C 3.24Å; D229-G255 VanDerWaalsContact OD1-CA 3.27Å; D229-G255 WeakPolarHBondContact OD1-CA 3.43Å; D229-G255 PolarHBondContact OD1-N 2.92Å; D229-G255 PolarHBondContact OD2-N 3.14Å; D229-G255 VanDerWaalsContact OD2-N 3.12Å; G255-S257 PolarHBondContact O-N 2.78Å; G255-F258 WeakPolarHBondContact O-CB 3.44Å; G255-F258 WeakPolarHBondContact O-CG 3.49Å; G255-F258 PolarHBondContact O-N 3.37Å; G255-F258 VanDerWaalsContact O-N 3.17Å
256	S	98.5	Very high	97	Very high	44 Å²	44	30.5 Å²	30.5	31%	0.308	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.5	176.9	56.7	0	0	0	0	112.5	D229 F258	D229-S256 WeakPolarHBondContact CB-OG 3.47Å; D229-S256 PolarHBondContact OD1-N 2.93Å; D229-S256 PolarHBondContact OD1-OG 2.79Å; S256-F258 VanDerWaalsContact C-N 3.29Å; S256-F258 PolarHBondContact O-N 3.46Å
257	S	98.2	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.2	178.1	59.8	0	0	0	0	114.5	D229 V232 G255 T259 L260 L261	D229-S257 VanDerWaalsContact O-CB 3.3Å; D229-S257 WeakPolarHBondContact O-CB 3.41Å; D229-S257 VanDerWaalsContact OD1-CB 3.27Å; D229-S257 WeakPolarHBondContact OD1-CB 3.26Å; D229-S257 PolarHBondContact OD1-N 3.03Å; D229-S257 PolarHBondContact OD1-OG 3.29Å; V232-S257 WeakPolarHBondContact CB-OG 3.08Å; V232-S257 WeakPolarHBondContact CG1-OG 3.28Å; G255-S257 PolarHBondContact O-N 2.78Å; S257-T259 VanDerWaalsContact C-N 3.26Å; S257-T259 PolarHBondContact O-N 2.77Å; S257-L260 PolarHBondContact O-N 3.43Å; S257-L260 VanDerWaalsContact O-N 3.1Å; S257-L261 PolarHBondContact O-N 3.12Å
258	F	98.6	Very high	97	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-24.7	-170.2	-63.1	-14.1	0	0	0	113.3	L247 V253 G255 S256 L260 L261 I262 L273 L278 M283 V286 W288	L247-F258 HydrophobicContact CD1-CE1 4.15Å; V253-F258 HydrophobicContact CG1-CE1 4.1Å; V253-F258 HydrophobicContact CG1-CZ 3.87Å; G255-F258 WeakPolarHBondContact O-CB 3.44Å; G255-F258 WeakPolarHBondContact O-CG 3.49Å; G255-F258 PolarHBondContact O-N 3.37Å; G255-F258 VanDerWaalsContact O-N 3.17Å; S256-F258 VanDerWaalsContact C-N 3.29Å; S256-F258 PolarHBondContact O-N 3.46Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 PolarHBondContact O-N 2.91Å; F258-L261 HydrophobicContact CD1-CD2 4.19Å; F258-L261 PolarHBondContact O-N 3.13Å; F258-I262 WeakPolarHBondContact O-CB 3.14Å; F258-I262 PolarHBondContact O-N 2.98Å; F258-L273 HydrophobicContact CE1-CD2 4.29Å; F258-L273 HydrophobicContact CE2-CD1 3.64Å; F258-L273 HydrophobicContact CE2-CD2 4.21Å; F258-L273 HydrophobicContact CZ-CD1 3.86Å; F258-L273 HydrophobicContact CZ-CD2 3.53Å; F258-L273 HydrophobicContact CZ-CG 4.36Å; F258-L278 HydrophobicContact CE2-CD2 3.87Å; F258-L278 HydrophobicContact CZ-CD2 4.03Å; F258-M283 HydrophobicContact CD2-CE 4.47Å; F258-M283 HydrophobicContact CD2-SD 3.64Å; F258-M283 HydrophobicContact CE2-CE 4.44Å; F258-M283 HydrophobicContact CE2-SD 3.63Å; F258-V286 HydrophobicContact CB-CG1 4.39Å; F258-V286 HydrophobicContact CB-CG2 3.67Å; F258-W288 HydrophobicContact CD2-CH2 4.24Å; F258-W288 HydrophobicContact CD2-CZ2 4.31Å
259	T	97.9	Very high	97.1	Very high	57 Å²	57	36.3 Å²	36.3	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-60	-47	172.1	-62.1	0	0	0	0	110.3	S257 A263	S257-T259 VanDerWaalsContact C-N 3.26Å; S257-T259 PolarHBondContact O-N 2.77Å; T259-A263 VanDerWaalsContact O-CB 3.26Å; T259-A263 WeakPolarHBondContact O-CB 3.31Å; T259-A263 PolarHBondContact O-N 3.21Å
260	L	97.4	Very high	97.2	Very high	59 Å²	59	34.7 Å²	34.7	31%	0.309	18%	0.183	S	C	.	.	H	α-helix	trans	-70.2	-39.3	177.5	-171.8	64.2	0	0	0	111.5	E233 A236 S257 F258 I262 A263 N264	E233-L260 HydrophobicContact CB-CD2 3.86Å; E233-L260 HydrophobicContact CG-CD2 3.99Å; A236-L260 HydrophobicContact CB-CD2 4.37Å; A236-L260 HydrophobicContact CB-CG 4.16Å; S257-L260 PolarHBondContact O-N 3.43Å; S257-L260 VanDerWaalsContact O-N 3.1Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 PolarHBondContact O-N 2.91Å; L260-I262 PolarHBondContact O-N 2.85Å; L260-A263 PolarHBondContact O-N 2.84Å; L260-N264 VanDerWaalsContact CD1-ND2 3.32Å; L260-N264 WeakPolarHBondContact CD1-ND2 3.49Å; L260-N264 WeakPolarHBondContact O-CB 3.33Å; L260-N264 PolarHBondContact O-N 2.81Å
261	L	97.4	Very high	97.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-49.2	177.4	-170.5	66.5	0	0	0	111.5	V232 A236 V245 S257 F258 N264 C265 L268 L271	V232-L261 HydrophobicContact CG1-CD2 4.45Å; A236-L261 HydrophobicContact CB-CB 4.29Å; A236-L261 HydrophobicContact CB-CD1 3.89Å; V245-L261 HydrophobicContact CG2-CD1 4.33Å; S257-L261 PolarHBondContact O-N 3.12Å; F258-L261 HydrophobicContact CD1-CD2 4.19Å; F258-L261 PolarHBondContact O-N 3.13Å; L261-N264 PolarHBondContact O-N 2.91Å; L261-C265 HydrophobicContact CD1-CB 4.38Å; L261-C265 VanDerWaalsContact O-CB 3.27Å; L261-C265 WeakPolarHBondContact O-CB 3.4Å; L261-C265 PolarHBondContact O-N 3.17Å; L261-L268 HydrophobicContact CD1-CD2 4.14Å; L261-L268 HydrophobicContact CD2-CD2 3.59Å; L261-L268 HydrophobicContact CG-CD2 3.57Å; L261-L271 HydrophobicContact CD2-CD1 4.2Å
262	I	97	Very high	97.6	Very high	6 Å²	6	32 Å²	32	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-35.3	176.9	-75.3	159.1	0	0	0	111.7	F258 L260 N264 K266 V286 W288 N290 I293	F258-I262 WeakPolarHBondContact O-CB 3.14Å; F258-I262 PolarHBondContact O-N 2.98Å; L260-I262 PolarHBondContact O-N 2.85Å; I262-N264 VanDerWaalsContact C-N 3.34Å; I262-N264 PolarHBondContact O-N 3Å; I262-K266 PolarHBondContact O-NZ 3.4Å; I262-V286 HydrophobicContact CD1-CG1 3.25Å; I262-W288 HydrophobicContact CD1-CD2 4.21Å; I262-W288 HydrophobicContact CD1-CE3 3.73Å; I262-W288 HydrophobicContact CD1-CH2 4.33Å; I262-W288 HydrophobicContact CD1-CZ3 3.81Å; I262-N290 HydrophobicContact CG2-CB 4.41Å; I262-I293 HydrophobicContact CD1-CD1 4.45Å; I262-I293 HydrophobicContact CG1-CD1 4.31Å
263	A	96.5	Very high	97.8	Very high	46 Å²	46	29.3 Å²	29.3	38%	0.38	16%	0.155	S	C	.	.	H	α-helix	trans	-62.5	-41	177	0	0	0	0	0	112.1	T259 L260 K266	T259-A263 VanDerWaalsContact O-CB 3.26Å; T259-A263 WeakPolarHBondContact O-CB 3.31Å; T259-A263 PolarHBondContact O-N 3.21Å; L260-A263 PolarHBondContact O-N 2.84Å; A263-K266 WeakPolarHBondContact O-CE 3.4Å; A263-K266 PolarHBondContact O-NZ 3.34Å
264	N	96.3	Very high	97.8	Very high	61 Å²	61	31.9 Å²	31.9	33%	0.326	17%	0.167	S	C	.	.	H	α-helix	trans	-102.4	-37.2	-170	-66.2	-8.1	0	0	0	114.2	A236 L260 L261 I262 K266	A236-N264 WeakPolarHBondContact O-CB 3.49Å; A236-N264 PolarHBondContact O-ND2 2.75Å; L260-N264 VanDerWaalsContact CD1-ND2 3.32Å; L260-N264 WeakPolarHBondContact CD1-ND2 3.49Å; L260-N264 WeakPolarHBondContact O-CB 3.33Å; L260-N264 PolarHBondContact O-N 2.81Å; L261-N264 PolarHBondContact O-N 2.91Å; I262-N264 VanDerWaalsContact C-N 3.34Å; I262-N264 PolarHBondContact O-N 3Å; N264-K266 PolarHBondContact O-N 3.13Å
265	C	96.3	Very high	97.7	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.02	17%	0.167	C	C	.	.			trans	-93.6	70.4	-173.3	-60	0	0	0	0	111.6	C239 L242 L261 K267 L268	C239-C265 PolarHBondContact O-SG 3.08Å; L242-C265 HydrophobicContact CB-CB 4.22Å; L261-C265 HydrophobicContact CD1-CB 4.38Å; L261-C265 VanDerWaalsContact O-CB 3.27Å; L261-C265 WeakPolarHBondContact O-CB 3.4Å; L261-C265 PolarHBondContact O-N 3.17Å; C265-K267 PolarHBondContact O-N 2.83Å; C265-L268 HydrophobicContact CB-CB 4.05Å; C265-L268 WeakPolarHBondContact O-CB 3.43Å; C265-L268 PolarHBondContact O-N 3.4Å
266	K	95.6	Very high	97.6	Very high	135 Å²	135	31.9 Å²	31.9	59%	0.587	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-11.8	-175.3	-59.2	-51.8	-172.3	-165.7	0	115.8	I262 A263 N264	I262-K266 PolarHBondContact O-NZ 3.4Å; A263-K266 WeakPolarHBondContact O-CE 3.4Å; A263-K266 PolarHBondContact O-NZ 3.34Å; N264-K266 PolarHBondContact O-N 3.13Å
267	K	97.4	Very high	97.6	Very high	106 Å²	106	30.8 Å²	30.8	46%	0.461	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.5	174.5	-63.7	-172.2	-178.2	177	0	113.1	H241 L242 E243 C265 T269	H241-K267 PolarHBondContact ND1-NZ 2.7Å; L242-K267 CarbonylContact O-C 3.34Å; L242-K267 WeakPolarHBondContact O-CB 3.33Å; E243-K267 WeakPolarHBondContact CA-O 3.22Å; E243-K267 HydrophobicContact CG-CB 4.03Å; C265-K267 PolarHBondContact O-N 2.83Å; K267-T269 PolarHBondContact O-N 3.14Å
268	L	98.2	Very high	97.6	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.165	C	C	.	.			trans	-67.2	115.4	-175.2	-175.1	62.7	0	0	0	110.1	L242 V245 L261 C265 T270 G292 I293	L242-L268 WeakPolarHBondContact O-CA 3.46Å; L242-L268 PolarHBondContact O-N 3.12Å; V245-L268 HydrophobicContact CB-CD1 4.21Å; V245-L268 HydrophobicContact CG2-CD1 3.79Å; L261-L268 HydrophobicContact CD1-CD2 4.14Å; L261-L268 HydrophobicContact CD2-CD2 3.59Å; L261-L268 HydrophobicContact CG-CD2 3.57Å; C265-L268 HydrophobicContact CB-CB 4.05Å; C265-L268 WeakPolarHBondContact O-CB 3.43Å; C265-L268 PolarHBondContact O-N 3.4Å; L268-T270 WeakPolarHBondContact CD1-O 3.48Å; L268-G292 CarbonylContact O-C 3.29Å; L268-I293 HydrophobicContact CD2-CD1 4.07Å; L268-I293 HydrophobicContact CD2-CG1 4.28Å; L268-I293 HydrophobicContact CG-CD1 4.4Å; L268-I293 HydrophobicContact CG-CG1 4.08Å; L268-I293 PolarHBondContact O-N 2.96Å
269	T	98.5	Very high	97.6	Very high	23 Å²	23	35.8 Å²	35.8	14%	0.141	19%	0.185	C	C	.	.			trans	-111.9	-23.6	178	56.1	0	0	0	0	112.9	E243 K267 I293 C294 E295	E243-T269 PolarHBondContact O-N 2.95Å; E243-T269 PolarHBondContact O-OG1 2.91Å; K267-T269 PolarHBondContact O-N 3.14Å; T269-I293 WeakPolarHBondContact O-CA 3.44Å; T269-C294 PolarHBondContact O-N 3.31Å; T269-E295 PolarHBondContact O-N 3.29Å
270	T	98.8	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.3	-170.9	-46.3	0	0	0	0	110.2	E243 C244 V245 L268 L272 E295 L507	E243-T270 PolarHBondContact O-N 3.17Å; E243-T270 VanDerWaalsContact O-N 3.14Å; C244-T270 WeakPolarHBondContact CA-O 3.22Å; C244-T270 HydrophobicContact CB-CG2 4.48Å; V245-T270 PolarHBondContact N-O 3.08Å; L268-T270 WeakPolarHBondContact CD1-O 3.48Å; T270-L272 HydrophobicContact CG2-CD2 3.79Å; T270-L272 HydrophobicContact CG2-CG 4.06Å; T270-E295 WeakPolarHBondContact CA-O 3.46Å; T270-E295 HydrophobicContact CG2-CB 3.88Å; T270-E295 PolarHBondContact OG1-OE2 3.1Å; T270-L507 HydrophobicContact CG2-CD2 4.09Å
271	L	98.7	Very high	97.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	112.8	176.5	-175.8	60.7	0	0	0	108.8	V245 L261 L273 W288 I293 E295 L296 D297	V245-L271 HydrophobicContact CB-CD1 4.06Å; V245-L271 HydrophobicContact CG1-CD1 4.1Å; V245-L271 WeakPolarHBondContact O-CA 3.34Å; L261-L271 HydrophobicContact CD2-CD1 4.2Å; L271-L273 HydrophobicContact CD1-CD2 3.87Å; L271-L273 HydrophobicContact CD1-CG 4.31Å; L271-L273 HydrophobicContact CD2-CD1 3.89Å; L271-L273 HydrophobicContact CD2-CG 4.36Å; L271-L273 HydrophobicContact CG-CD1 3.95Å; L271-L273 HydrophobicContact CG-CD2 3.99Å; L271-L273 HydrophobicContact CG-CG 3.86Å; L271-W288 HydrophobicContact CD2-CH2 4.05Å; L271-W288 HydrophobicContact CD2-CZ3 4.29Å; L271-I293 HydrophobicContact CB-CD1 3.87Å; L271-I293 HydrophobicContact CB-CG1 4.35Å; L271-I293 HydrophobicContact CB-CG2 4.16Å; L271-I293 HydrophobicContact CD2-CD1 3.71Å; L271-I293 HydrophobicContact CG-CD1 4.4Å; L271-E295 PolarHBondContact N-O 3.09Å; L271-L296 HydrophobicContact CB-CD1 4.38Å; L271-L296 WeakPolarHBondContact O-CA 3.08Å; L271-D297 PolarHBondContact O-N 2.75Å; L271-D297 VanDerWaalsContact O-N 3.13Å
272	L	98.7	Very high	97.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.6	-178.3	-45.5	179.5	0	0	0	109	V245 A246 L247 N248 T270 D297 L507 L513	V245-L272 PolarHBondContact O-N 3.29Å; A246-L272 HydrophobicContact CB-CB 4.1Å; A246-L272 HydrophobicContact CB-CD1 3.94Å; A246-L272 HydrophobicContact CB-CG 4.27Å; L247-L272 PolarHBondContact N-O 3.4Å; N248-L272 WeakPolarHBondContact OD1-CB 3.41Å; N248-L272 PolarHBondContact OD1-O 3.38Å; T270-L272 HydrophobicContact CG2-CD2 3.79Å; T270-L272 HydrophobicContact CG2-CG 4.06Å; L272-D297 HydrophobicContact CB-CB 4.32Å; L272-D297 HydrophobicContact CD2-CB 3.86Å; L272-L507 HydrophobicContact CD1-CD1 3.86Å; L272-L507 HydrophobicContact CD2-CD1 4.07Å; L272-L507 HydrophobicContact CD2-CD2 4.22Å; L272-L513 HydrophobicContact CD1-CD1 3.9Å
273	L	98.7	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.			trans	-132.1	26.8	-170	-54.2	173.1	0	0	0	111.7	L247 N248 F258 L271 H275 C276 L278 L296 D297	L247-L273 HydrophobicContact CB-CD2 4.17Å; L247-L273 HydrophobicContact CD1-CD2 3.96Å; L247-L273 HydrophobicContact CG-CD2 4.47Å; N248-L273 PolarHBondContact OD1-N 2.73Å; F258-L273 HydrophobicContact CE1-CD2 4.29Å; F258-L273 HydrophobicContact CE2-CD1 3.64Å; F258-L273 HydrophobicContact CE2-CD2 4.21Å; F258-L273 HydrophobicContact CZ-CD1 3.86Å; F258-L273 HydrophobicContact CZ-CD2 3.53Å; F258-L273 HydrophobicContact CZ-CG 4.36Å; L271-L273 HydrophobicContact CD1-CD2 3.87Å; L271-L273 HydrophobicContact CD1-CG 4.31Å; L271-L273 HydrophobicContact CD2-CD1 3.89Å; L271-L273 HydrophobicContact CD2-CG 4.36Å; L271-L273 HydrophobicContact CG-CD1 3.95Å; L271-L273 HydrophobicContact CG-CD2 3.99Å; L271-L273 HydrophobicContact CG-CG 3.86Å; L273-H275 PolarHBondContact O-N 2.76Å; L273-C276 HydrophobicContact CB-CB 4.33Å; L273-C276 PolarHBondContact O-N 3.06Å; L273-C276 VanDerWaalsContact O-N 3.15Å; L273-L278 HydrophobicContact CB-CD1 4.18Å; L273-L278 HydrophobicContact CD1-CD1 3.9Å; L273-L278 HydrophobicContact CD1-CD2 4.41Å; L273-L296 HydrophobicContact CD1-CD1 4.43Å; L273-D297 CarbonylContact C-O 3.5Å; L273-D297 WeakPolarHBondContact CA-O 3.39Å; L273-D297 VanDerWaalsContact CB-O 3.32Å; L273-D297 WeakPolarHBondContact CB-O 3.36Å; L273-D297 PolarHBondContact N-O 3.36Å
274	E	97.6	Very high	97.9	Very high	54 Å²	54	41.8 Å²	41.8	25%	0.252	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	126.3	178.6	179.6	180	-168.2	0	0	109.3	N248 F249 C276 T299	N248-E274 CarbonylContact C-O 3.58Å; N248-E274 VanDerWaalsContact CA-O 3.28Å; N248-E274 WeakPolarHBondContact CA-O 3.43Å; N248-E274 HydrophobicContact CB-CB 3.99Å; N248-E274 PolarHBondContact ND2-OE2 2.78Å; N248-E274 PolarHBondContact OD1-N 3.03Å; F249-E274 HydrophobicContact CE2-CG 4.17Å; F249-E274 HydrophobicContact CZ-CG 4.03Å; F249-E274 PolarHBondContact N-O 3.08Å; E274-C276 PolarHBondContact O-N 2.95Å; E274-T299 CarbonylContact C-O 3.57Å; E274-T299 VanDerWaalsContact CA-O 3.31Å; E274-T299 WeakPolarHBondContact CA-O 3.42Å; E274-T299 HydrophobicContact CG-CG2 4.22Å
275	H	96.6	Very high	98	Very high	60 Å²	60	42.2 Å²	42.2	28%	0.278	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	32.2	178.4	-152.7	59.4	0	0	0	114.9	F190 F249 L251 L273 T299 S300	F190-H275 AromaticContact CE2-CD2 3.98Å; F190-H275 AromaticContact CZ-CD2 3.63Å; F190-H275 AromaticContact CZ-NE2 3.85Å; F249-H275 HydrophobicContact CD1-CB 3.72Å; F249-H275 AromaticContact CD1-CD2 3.77Å; F249-H275 HydrophobicContact CE1-CB 3.85Å; F249-H275 HydrophobicContact CG-CB 4.38Å; L251-H275 WeakPolarHBondContact CD2-O 3.28Å; L273-H275 PolarHBondContact O-N 2.76Å; H275-T299 PolarHBondContact N-O 3.05Å; H275-S300 PolarHBondContact ND1-O 2.91Å
276	C	97.6	Very high	98.1	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.034	21%	0.213	C	C	.	.			trans	-79.7	150.8	166.4	-71.6	0	0	0	0	111.5	L247 L273 E274 L278	L247-C276 PolarHBondContact O-SG 3.17Å; L273-C276 HydrophobicContact CB-CB 4.33Å; L273-C276 PolarHBondContact O-N 3.06Å; L273-C276 VanDerWaalsContact O-N 3.15Å; E274-C276 PolarHBondContact O-N 2.95Å; C276-L278 HydrophobicContact CB-CD1 4.5Å; C276-L278 HydrophobicContact CB-CD2 3.76Å; C276-L278 HydrophobicContact CB-CG 3.76Å; C276-L278 PolarHBondContact O-N 3.25Å
277	G	97	Very high	98.2	Very high	20 Å²	20	37.3 Å²	37.3	21%	0.206	20%	0.195	C	C	.	.			trans	-79	40.7	177.6	0	0	0	0	0	114.6	L251 V253 K254	L251-G277 WeakPolarHBondContact O-CA 3.35Å; L251-G277 PolarHBondContact O-N 3.02Å; V253-G277 CarbonylContact O-C 3.6Å; V253-G277 VanDerWaalsContact O-C 3.28Å; V253-G277 PolarHBondContact O-N 3.45Å; K254-G277 WeakPolarHBondContact CD-O 3.33Å
278	L	98.7	Very high	98.3	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	17%	0.173	C	C	.	.			trans	-55.9	148.2	-172.5	-56	179.4	0	0	0	112.6	V253 K254 F258 L273 C276 M283 T301 L303	V253-L278 HydrophobicContact CG1-CD2 4.39Å; V253-L278 PolarHBondContact O-N 2.99Å; K254-L278 WeakPolarHBondContact O-CA 3.28Å; F258-L278 HydrophobicContact CE2-CD2 3.87Å; F258-L278 HydrophobicContact CZ-CD2 4.03Å; L273-L278 HydrophobicContact CB-CD1 4.18Å; L273-L278 HydrophobicContact CD1-CD1 3.9Å; L273-L278 HydrophobicContact CD1-CD2 4.41Å; C276-L278 HydrophobicContact CB-CD1 4.5Å; C276-L278 HydrophobicContact CB-CD2 3.76Å; C276-L278 HydrophobicContact CB-CG 3.76Å; C276-L278 PolarHBondContact O-N 3.25Å; L278-M283 HydrophobicContact CB-CG 4.31Å; L278-M283 HydrophobicContact CD1-CE 4.28Å; L278-M283 HydrophobicContact CD1-SD 4.17Å; L278-M283 HydrophobicContact CD2-SD 4.35Å; L278-T301 HydrophobicContact CD1-CG2 3.82Å; L278-T301 HydrophobicContact CG-CG2 4.33Å; L278-L303 HydrophobicContact CB-CD1 4.5Å; L278-L303 HydrophobicContact CB-CD2 3.79Å; L278-L303 HydrophobicContact CB-CG 4.27Å; L278-L303 HydrophobicContact CD1-CD1 4.07Å
279	K	98.6	Very high	98.3	Very high	99 Å²	99	36.6 Å²	36.6	43%	0.43	19%	0.194	S	C	.	.			trans	-118.1	137.3	176.1	-60.6	-62.8	-179.4	-171.1	0	111.6	K254 E281 F282 M283	K254-K279 HydrophobicContact CB-CG 4.12Å; K254-K279 HydrophobicContact CD-CG 4.39Å; K254-K279 PolarHBondContact O-N 3.4Å; K279-E281 VanDerWaalsContact C-N 3.32Å; K279-E281 HydrophobicContact CB-CG 4.32Å; K279-E281 PolarHBondContact O-N 3.01Å; K279-F282 HydrophobicContact CB-CD2 3.8Å; K279-F282 HydrophobicContact CB-CE2 4.26Å; K279-F282 HydrophobicContact CG-CD2 4.33Å; K279-F282 HydrophobicContact CG-CE2 4.41Å; K279-F282 PolarHBondContact O-N 3.43Å; K279-M283 WeakPolarHBondContact O-CG 3.24Å; K279-M283 PolarHBondContact O-N 2.85Å; K279-M283 VanDerWaalsContact O-N 3.07Å
280	D	98.8	Very high	98.2	Very high	49 Å²	49	40.5 Å²	40.5	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-51.9	-48.8	-177.7	-73.9	8.8	0	0	0	112.9	F282 M283 M284 L303 S304 C307	D280-F282 VanDerWaalsContact C-N 3.3Å; D280-F282 PolarHBondContact O-N 3.17Å; D280-M283 PolarHBondContact O-N 3.18Å; D280-M284 WeakPolarHBondContact O-CB 3.49Å; D280-M284 VanDerWaalsContact O-CG 3.24Å; D280-M284 WeakPolarHBondContact O-CG 3.5Å; D280-M284 PolarHBondContact O-N 3.47Å; D280-L303 WeakPolarHBondContact OD1-CA 3.25Å; D280-L303 WeakPolarHBondContact OD1-CD2 3.09Å; D280-S304 PolarHBondContact OD1-N 3.42Å; D280-S304 VanDerWaalsContact OD1-N 3.15Å; D280-S304 WeakPolarHBondContact OD2-CB 3.24Å; D280-S304 PolarHBondContact OD2-N 2.77Å; D280-S304 PolarHBondContact OD2-OG 2.73Å; D280-C307 HydrophobicContact CB-CB 3.86Å; D280-C307 VanDerWaalsContact CG-CB 3.44Å; D280-C307 WeakPolarHBondContact OD1-CB 3.44Å
281	E	98.6	Very high	98	Very high	130 Å²	130	41 Å²	41	61%	0.607	22%	0.217	S	C	*	.	H	α-helix	trans	-56.8	-42	-177.8	63.3	-174.7	177.4	0	0	112.6	K279 A285	K279-E281 VanDerWaalsContact C-N 3.32Å; K279-E281 HydrophobicContact CB-CG 4.32Å; K279-E281 PolarHBondContact O-N 3.01Å; E281-A285 WeakPolarHBondContact O-CB 3.03Å; E281-A285 PolarHBondContact O-N 3.43Å
282	F	98.8	Very high	97.9	Very high	65 Å²	65	42.9 Å²	42.9	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-74.6	-44.5	-179.7	-61.8	-42.5	0	0	0	111	K254 K279 D280 M284 A285 V286	K254-F282 HydrophobicContact CB-CD2 3.81Å; K254-F282 HydrophobicContact CB-CE2 3.91Å; K279-F282 HydrophobicContact CB-CD2 3.8Å; K279-F282 HydrophobicContact CB-CE2 4.26Å; K279-F282 HydrophobicContact CG-CD2 4.33Å; K279-F282 HydrophobicContact CG-CE2 4.41Å; K279-F282 PolarHBondContact O-N 3.43Å; D280-F282 VanDerWaalsContact C-N 3.3Å; D280-F282 PolarHBondContact O-N 3.17Å; F282-M284 VanDerWaalsContact C-N 3.27Å; F282-M284 PolarHBondContact O-N 3.21Å; F282-A285 PolarHBondContact O-N 3.41Å; F282-A285 VanDerWaalsContact O-N 3.15Å; F282-V286 VanDerWaalsContact O-CG2 3.28Å; F282-V286 WeakPolarHBondContact O-CG2 3.17Å; F282-V286 PolarHBondContact O-N 2.89Å
283	M	98.7	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-38.4	177	-67.6	-58.4	-69.9	0	0	111.8	F258 L278 K279 D280 W288 L303 F311	F258-M283 HydrophobicContact CD2-CE 4.47Å; F258-M283 HydrophobicContact CD2-SD 3.64Å; F258-M283 HydrophobicContact CE2-CE 4.44Å; F258-M283 HydrophobicContact CE2-SD 3.63Å; L278-M283 HydrophobicContact CB-CG 4.31Å; L278-M283 HydrophobicContact CD1-CE 4.28Å; L278-M283 HydrophobicContact CD1-SD 4.17Å; L278-M283 HydrophobicContact CD2-SD 4.35Å; K279-M283 WeakPolarHBondContact O-CG 3.24Å; K279-M283 PolarHBondContact O-N 2.85Å; K279-M283 VanDerWaalsContact O-N 3.07Å; D280-M283 PolarHBondContact O-N 3.18Å; M283-W288 HydrophobicContact CE-CH2 4Å; M283-W288 HydrophobicContact CE-CZ2 3.45Å; M283-W288 VanDerWaalsContact CE-CZ2 3.45Å; M283-W288 PolarHBondContact O-NE1 2.99Å; M283-W288 HydrophobicContact SD-CZ2 4.12Å; M283-L303 HydrophobicContact CE-CD1 4.48Å; M283-L303 HydrophobicContact CG-CD1 4.29Å; M283-L303 HydrophobicContact CG-CD2 3.95Å; M283-F311 HydrophobicContact CB-CD1 4.5Å; M283-F311 HydrophobicContact CE-CD1 4.43Å; M283-F311 HydrophobicContact CE-CD2 4.21Å; M283-F311 HydrophobicContact CE-CE1 4.17Å; M283-F311 HydrophobicContact CE-CE2 3.93Å; M283-F311 HydrophobicContact CE-CG 4.47Å; M283-F311 HydrophobicContact CE-CZ 3.92Å
284	M	98.6	Very high	97.9	Very high	51 Å²	51	42.8 Å²	42.8	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-74.8	-28	176.8	-67.1	172.6	76.2	0	0	113	D280 F282 V286 E306 C307 N310 R314	D280-M284 WeakPolarHBondContact O-CB 3.49Å; D280-M284 VanDerWaalsContact O-CG 3.24Å; D280-M284 WeakPolarHBondContact O-CG 3.5Å; D280-M284 PolarHBondContact O-N 3.47Å; F282-M284 VanDerWaalsContact C-N 3.27Å; F282-M284 PolarHBondContact O-N 3.21Å; M284-V286 VanDerWaalsContact C-N 3.32Å; M284-V286 PolarHBondContact O-N 3.36Å; M284-E306 HydrophobicContact CE-CG 4.26Å; M284-C307 HydrophobicContact CG-CB 4.29Å; M284-C307 HydrophobicContact SD-CB 4.21Å; M284-N310 HydrophobicContact CE-CB 3.91Å; M284-N310 HydrophobicContact CG-CB 4.07Å; M284-R314 PolarHBondContact O-NH2 2.65Å
285	A	98.5	Very high	98	Very high	71 Å²	71	40.5 Å²	40.5	59%	0.587	23%	0.225	S	C	*	.	H	α-helix	trans	-72.1	-25.2	178.5	0	0	0	0	0	113.7	E281 F282	E281-A285 WeakPolarHBondContact O-CB 3.03Å; E281-A285 PolarHBondContact O-N 3.43Å; F282-A285 PolarHBondContact O-N 3.41Å; F282-A285 VanDerWaalsContact O-N 3.15Å
286	V	98.5	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-66.7	135.2	-176.9	171.8	0	0	0	0	111.1	F258 I262 F282 M284 W288 R314	F258-V286 HydrophobicContact CB-CG1 4.39Å; F258-V286 HydrophobicContact CB-CG2 3.67Å; I262-V286 HydrophobicContact CD1-CG1 3.25Å; F282-V286 VanDerWaalsContact O-CG2 3.28Å; F282-V286 WeakPolarHBondContact O-CG2 3.17Å; F282-V286 PolarHBondContact O-N 2.89Å; M284-V286 VanDerWaalsContact C-N 3.32Å; M284-V286 PolarHBondContact O-N 3.36Å; V286-W288 VanDerWaalsContact C-N 3.28Å; V286-W288 HydrophobicContact CB-CD2 4.4Å; V286-W288 HydrophobicContact CB-CG 4.47Å; V286-W288 HydrophobicContact CB-CZ2 4.11Å; V286-W288 HydrophobicContact CG1-CD2 3.73Å; V286-W288 VanDerWaalsContact CG1-CE2 3.45Å; V286-W288 HydrophobicContact CG1-CE3 4.34Å; V286-W288 HydrophobicContact CG1-CG 4Å; V286-W288 HydrophobicContact CG1-CH2 4.42Å; V286-W288 HydrophobicContact CG1-CZ2 3.82Å; V286-W288 HydrophobicContact CG2-CZ2 4.37Å; V286-W288 PolarHBondContact O-N 3.14Å; V286-R314 PolarHBondContact O-NH1 3.29Å; V286-R314 PolarHBondContact O-NH2 3.48Å
287	P	98	Very high	98.2	Very high	34 Å²	34	37.9 Å²	37.9	22%	0.221	21%	0.213	C	C	.	.			trans	-81.8	68.8	178.3	34.1	-36.7	0	0	0	111.7	E289 N290	P287-E289 PolarHBondContact O-N 3.19Å; P287-E289 VanDerWaalsContact O-N 3.13Å; P287-N290 WeakPolarHBondContact O-CB 3.42Å; P287-N290 PolarHBondContact O-N 2.76Å
288	W	98.4	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.6	-26.2	-174.8	-68	99.8	0	0	0	114.7	F258 I262 L271 M283 V286 N290 S291 I293 F311 R314 I315	F258-W288 HydrophobicContact CD2-CH2 4.24Å; F258-W288 HydrophobicContact CD2-CZ2 4.31Å; I262-W288 HydrophobicContact CD1-CD2 4.21Å; I262-W288 HydrophobicContact CD1-CE3 3.73Å; I262-W288 HydrophobicContact CD1-CH2 4.33Å; I262-W288 HydrophobicContact CD1-CZ3 3.81Å; L271-W288 HydrophobicContact CD2-CH2 4.05Å; L271-W288 HydrophobicContact CD2-CZ3 4.29Å; M283-W288 HydrophobicContact CE-CH2 4Å; M283-W288 HydrophobicContact CE-CZ2 3.45Å; M283-W288 VanDerWaalsContact CE-CZ2 3.45Å; M283-W288 PolarHBondContact O-NE1 2.99Å; M283-W288 HydrophobicContact SD-CZ2 4.12Å; V286-W288 VanDerWaalsContact C-N 3.28Å; V286-W288 HydrophobicContact CB-CD2 4.4Å; V286-W288 HydrophobicContact CB-CG 4.47Å; V286-W288 HydrophobicContact CB-CZ2 4.11Å; V286-W288 HydrophobicContact CG1-CD2 3.73Å; V286-W288 VanDerWaalsContact CG1-CE2 3.45Å; V286-W288 HydrophobicContact CG1-CE3 4.34Å; V286-W288 HydrophobicContact CG1-CG 4Å; V286-W288 HydrophobicContact CG1-CH2 4.42Å; V286-W288 HydrophobicContact CG1-CZ2 3.82Å; V286-W288 HydrophobicContact CG2-CZ2 4.37Å; V286-W288 PolarHBondContact O-N 3.14Å; W288-N290 PolarHBondContact O-N 2.79Å; W288-S291 WeakPolarHBondContact O-CB 3.11Å; W288-S291 PolarHBondContact O-N 3.16Å; W288-I293 HydrophobicContact CZ3-CD1 3.9Å; W288-F311 HydrophobicContact CD2-CD2 4.09Å; W288-F311 AromaticContact CE2-CD2 3.76Å; W288-F311 HydrophobicContact CG-CB 4.39Å; W288-F311 HydrophobicContact CG-CD2 4.39Å; W288-F311 HydrophobicContact CZ2-CD2 4.14Å; W288-F311 AromaticContact NE1-CD2 3.82Å; W288-F311 AromaticContact NE1-CG 3.98Å; W288-R314 HydrophobicContact CB-CB 3.85Å; W288-I315 HydrophobicContact CB-CG1 3.92Å; W288-I315 HydrophobicContact CD2-CD1 4.36Å; W288-I315 HydrophobicContact CD2-CG1 4.14Å; W288-I315 HydrophobicContact CE3-CD1 3.85Å; W288-I315 HydrophobicContact CE3-CG1 3.81Å; W288-I315 HydrophobicContact CG-CG1 4.21Å; W288-I315 HydrophobicContact CZ3-CD1 4.31Å
289	E	97.6	Very high	98.2	Very high	96 Å²	96	37 Å²	37	45%	0.449	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-60.8	-23	174.5	63.2	-82.5	-173.5	0	0	113.5	P287 R314	P287-E289 PolarHBondContact O-N 3.19Å; P287-E289 VanDerWaalsContact O-N 3.13Å; E289-R314 VanDerWaalsContact CA-O 3.22Å; E289-R314 WeakPolarHBondContact CA-O 3.39Å; E289-R314 PolarHBondContact N-O 2.94Å; E289-R314 IonicContact OE2-NH1 2.78Å; E289-R314 PolarHBondContact OE2-NH1 3.14Å
290	N	97	Very high	98.2	Very high	105 Å²	105	34.1 Å²	34.1	56%	0.561	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-92.7	2.1	176.1	-63.3	-42	0	0	0	113	I262 P287 W288	I262-N290 HydrophobicContact CG2-CB 4.41Å; P287-N290 WeakPolarHBondContact O-CB 3.42Å; P287-N290 PolarHBondContact O-N 2.76Å; W288-N290 PolarHBondContact O-N 2.79Å
291	S	94.9	Very high	98.1	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	19%	0.185	C	C	.	.			trans	-83	142.1	-175.6	-170.4	0	0	0	0	112.5	W288 I293	W288-S291 WeakPolarHBondContact O-CB 3.11Å; W288-S291 PolarHBondContact O-N 3.16Å; S291-I293 VanDerWaalsContact C-N 3.32Å; S291-I293 VanDerWaalsContact OG-CB 3.28Å; S291-I293 WeakPolarHBondContact OG-CB 3.37Å; S291-I293 WeakPolarHBondContact OG-CD1 3.23Å; S291-I293 VanDerWaalsContact OG-CG1 3.22Å; S291-I293 WeakPolarHBondContact OG-CG1 3.25Å; S291-I293 PolarHBondContact OG-N 3.2Å
292	G	97.1	Very high	98	Very high	39 Å²	39	34.1 Å²	34.1	40%	0.402	20%	0.195	S	C	.	.			trans	-86	-3.1	166.1	0	0	0	0	0	113.6	L268 C294	L268-G292 CarbonylContact O-C 3.29Å; G292-C294 PolarHBondContact O-N 2.97Å
293	I	98.5	Very high	98	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.181	C	C	.	.			trans	-64.3	124.7	-177.4	-64.9	164.8	0	0	0	109.4	I262 L268 T269 L271 W288 S291 L296 I315	I262-I293 HydrophobicContact CD1-CD1 4.45Å; I262-I293 HydrophobicContact CG1-CD1 4.31Å; L268-I293 HydrophobicContact CD2-CD1 4.07Å; L268-I293 HydrophobicContact CD2-CG1 4.28Å; L268-I293 HydrophobicContact CG-CD1 4.4Å; L268-I293 HydrophobicContact CG-CG1 4.08Å; L268-I293 PolarHBondContact O-N 2.96Å; T269-I293 WeakPolarHBondContact O-CA 3.44Å; L271-I293 HydrophobicContact CB-CD1 3.87Å; L271-I293 HydrophobicContact CB-CG1 4.35Å; L271-I293 HydrophobicContact CB-CG2 4.16Å; L271-I293 HydrophobicContact CD2-CD1 3.71Å; L271-I293 HydrophobicContact CG-CD1 4.4Å; W288-I293 HydrophobicContact CZ3-CD1 3.9Å; S291-I293 VanDerWaalsContact C-N 3.32Å; S291-I293 VanDerWaalsContact OG-CB 3.28Å; S291-I293 WeakPolarHBondContact OG-CB 3.37Å; S291-I293 WeakPolarHBondContact OG-CD1 3.23Å; S291-I293 VanDerWaalsContact OG-CG1 3.22Å; S291-I293 WeakPolarHBondContact OG-CG1 3.25Å; S291-I293 PolarHBondContact OG-N 3.2Å; I293-L296 HydrophobicContact CG2-CB 4.48Å; I293-I315 WeakPolarHBondContact O-CG2 3.28Å
294	C	98.7	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.192	C	C	.	.			trans	-136.5	2.2	175.3	64.3	0	0	0	0	112.4	T269 G292 Y317 T319 Y320	T269-C294 PolarHBondContact O-N 3.31Å; G292-C294 PolarHBondContact O-N 2.97Å; C294-Y317 HydrophobicContact CB-CD2 3.99Å; C294-Y317 HydrophobicContact CB-CE2 3.58Å; C294-Y317 WeakPolarHBondContact CB-O 3.36Å; C294-T319 HydrophobicContact CB-CG2 4.23Å; C294-T319 WeakPolarHBondContact O-CA 3.36Å; C294-T319 PolarHBondContact O-N 3.21Å; C294-T319 PolarHBondContact O-OG1 2.9Å; C294-Y320 PolarHBondContact O-N 3.48Å
295	E	98.9	Very high	98	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	104.8	168.9	-60	-177.7	159.5	0	0	108.1	T269 T270 L271 T319 Y320 L507 R508	T269-E295 PolarHBondContact O-N 3.29Å; T270-E295 WeakPolarHBondContact CA-O 3.46Å; T270-E295 HydrophobicContact CG2-CB 3.88Å; T270-E295 PolarHBondContact OG1-OE2 3.1Å; L271-E295 PolarHBondContact N-O 3.09Å; E295-T319 VanDerWaalsContact CG-OG1 3.3Å; E295-T319 WeakPolarHBondContact CG-OG1 3.38Å; E295-Y320 WeakPolarHBondContact CA-O 3.36Å; E295-L507 HydrophobicContact CB-CD2 3.86Å; E295-L507 HydrophobicContact CG-CD2 4.26Å; E295-R508 WeakPolarHBondContact OE1-CB 3.34Å; E295-R508 PolarHBondContact OE1-N 3.42Å; E295-R508 PolarHBondContact OE2-N 3.42Å
296	L	98.8	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.8	-174.5	179.7	66.8	0	0	0	110.3	L271 L273 I293 I298 F311 L312 I315 F318 Y320 L321 A322	L271-L296 HydrophobicContact CB-CD1 4.38Å; L271-L296 WeakPolarHBondContact O-CA 3.08Å; L273-L296 HydrophobicContact CD1-CD1 4.43Å; I293-L296 HydrophobicContact CG2-CB 4.48Å; L296-I298 HydrophobicContact CD1-CG2 3.95Å; L296-I298 HydrophobicContact CD2-CG2 4.12Å; L296-I298 HydrophobicContact CG-CG2 3.97Å; L296-F311 HydrophobicContact CD2-CE2 3.79Å; L296-F311 HydrophobicContact CD2-CZ 4.21Å; L296-L312 HydrophobicContact CD2-CD2 3.71Å; L296-I315 HydrophobicContact CD2-CD1 3.82Å; L296-F318 HydrophobicContact CB-CD1 4.46Å; L296-F318 HydrophobicContact CB-CE1 4.2Å; L296-F318 HydrophobicContact CD2-CE1 4.05Å; L296-Y320 PolarHBondContact N-O 2.92Å; L296-L321 HydrophobicContact CB-CD1 4.37Å; L296-L321 HydrophobicContact CD2-CD1 4.24Å; L296-L321 WeakPolarHBondContact O-CA 3.46Å; L296-A322 PolarHBondContact O-N 2.98Å
297	D	98.8	Very high	98	Very high	10 Å²	10	35 Å²	35	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.8	168.8	-161.2	-26.9	0	0	0	109.6	L271 L272 L273 T299 A322	L271-D297 PolarHBondContact O-N 2.75Å; L271-D297 VanDerWaalsContact O-N 3.13Å; L272-D297 HydrophobicContact CB-CB 4.32Å; L272-D297 HydrophobicContact CD2-CB 3.86Å; L273-D297 CarbonylContact C-O 3.5Å; L273-D297 WeakPolarHBondContact CA-O 3.39Å; L273-D297 VanDerWaalsContact CB-O 3.32Å; L273-D297 WeakPolarHBondContact CB-O 3.36Å; L273-D297 PolarHBondContact N-O 3.36Å; D297-T299 WeakPolarHBondContact OD1-CB 3.44Å; D297-T299 PolarHBondContact OD1-N 3.35Å; D297-T299 PolarHBondContact OD1-OG1 3.44Å; D297-A322 HydrophobicContact CB-CB 4.15Å; D297-A322 VanDerWaalsContact CG-CB 3.48Å; D297-A322 WeakPolarHBondContact OD1-CB 3.34Å
298	I	98.7	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.			trans	-127.1	22.5	177.2	55	161.5	0	0	0	111	L296 T301 L308 F311 A322 A323 T326	L296-I298 HydrophobicContact CD1-CG2 3.95Å; L296-I298 HydrophobicContact CD2-CG2 4.12Å; L296-I298 HydrophobicContact CG-CG2 3.97Å; I298-T301 HydrophobicContact CB-CG2 4.29Å; I298-T301 WeakPolarHBondContact O-CB 3.3Å; I298-T301 VanDerWaalsContact O-CG2 3.28Å; I298-T301 WeakPolarHBondContact O-CG2 3.47Å; I298-T301 PolarHBondContact O-N 3.27Å; I298-T301 PolarHBondContact O-OG1 3.47Å; I298-L308 HydrophobicContact CD1-CD2 3.47Å; I298-L308 VanDerWaalsContact CD1-CD2 3.47Å; I298-F311 HydrophobicContact CD1-CZ 4.24Å; I298-F311 HydrophobicContact CG2-CZ 4.33Å; I298-A322 WeakPolarHBondContact CG1-O 3.49Å; I298-A322 PolarHBondContact N-O 2.82Å; I298-A323 HydrophobicContact CD1-CB 4.13Å; I298-A323 HydrophobicContact CG1-CB 4Å; I298-T326 PolarHBondContact O-OG1 3.28Å
299	T	98.6	Very high	98.1	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.055	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	138.4	179.5	-61.5	0	0	0	0	110.6	E274 H275 D297 T301 G324	E274-T299 CarbonylContact C-O 3.57Å; E274-T299 VanDerWaalsContact CA-O 3.31Å; E274-T299 WeakPolarHBondContact CA-O 3.42Å; E274-T299 HydrophobicContact CG-CG2 4.22Å; H275-T299 PolarHBondContact N-O 3.05Å; D297-T299 WeakPolarHBondContact OD1-CB 3.44Å; D297-T299 PolarHBondContact OD1-N 3.35Å; D297-T299 PolarHBondContact OD1-OG1 3.44Å; T299-T301 VanDerWaalsContact C-N 3.27Å; T299-T301 PolarHBondContact O-N 3.31Å; T299-G324 CarbonylContact C-O 3.21Å; T299-G324 WeakPolarHBondContact CA-O 3.44Å; T299-G324 VanDerWaalsContact CG2-O 3.23Å; T299-G324 WeakPolarHBondContact CG2-O 3.13Å; T299-G324 PolarHBondContact OG1-N 3.2Å; T299-G324 VanDerWaalsContact OG1-N 3.17Å
300	S	97.6	Very high	98.1	Very high	37 Å²	37	34.6 Å²	34.6	26%	0.259	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	33.7	178.5	-53	0	0	0	0	114.7	H275 G324	H275-S300 PolarHBondContact ND1-O 2.91Å; S300-G324 PolarHBondContact N-O 3.04Å
301	T	97.9	Very high	98.2	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.043	17%	0.166	C	C	.	.			trans	-97.4	149.5	170.4	60.5	0	0	0	0	110.9	L278 I298 T299 L303	L278-T301 HydrophobicContact CD1-CG2 3.82Å; L278-T301 HydrophobicContact CG-CG2 4.33Å; I298-T301 HydrophobicContact CB-CG2 4.29Å; I298-T301 WeakPolarHBondContact O-CB 3.3Å; I298-T301 VanDerWaalsContact O-CG2 3.28Å; I298-T301 WeakPolarHBondContact O-CG2 3.47Å; I298-T301 PolarHBondContact O-N 3.27Å; I298-T301 PolarHBondContact O-OG1 3.47Å; T299-T301 VanDerWaalsContact C-N 3.27Å; T299-T301 PolarHBondContact O-N 3.31Å; T301-L303 VanDerWaalsContact C-N 3.3Å; T301-L303 PolarHBondContact O-N 3.38Å
302	E	96.4	Very high	98.4	Very high	173 Å²	173	29 Å²	29	81%	0.808	16%	0.163	S	C	*	.			trans	-93	25.6	-177.7	-60.7	-174.6	164.8	0	0	113.4
303	L	98.5	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.			trans	-68	137.7	-177.8	-65.1	176.1	0	0	0	111.5	L278 D280 M283 T301 L308 F311 F328	L278-L303 HydrophobicContact CB-CD1 4.5Å; L278-L303 HydrophobicContact CB-CD2 3.79Å; L278-L303 HydrophobicContact CB-CG 4.27Å; L278-L303 HydrophobicContact CD1-CD1 4.07Å; D280-L303 WeakPolarHBondContact OD1-CA 3.25Å; D280-L303 WeakPolarHBondContact OD1-CD2 3.09Å; M283-L303 HydrophobicContact CE-CD1 4.48Å; M283-L303 HydrophobicContact CG-CD1 4.29Å; M283-L303 HydrophobicContact CG-CD2 3.95Å; T301-L303 VanDerWaalsContact C-N 3.3Å; T301-L303 PolarHBondContact O-N 3.38Å; L303-L308 HydrophobicContact CB-CD2 4.15Å; L303-L308 HydrophobicContact CB-CG 4.14Å; L303-L308 HydrophobicContact CD1-CD2 4.32Å; L303-F311 HydrophobicContact CD1-CE1 3.89Å; L303-F311 HydrophobicContact CD1-CZ 4.44Å; L303-F328 VanDerWaalsContact O-CD2 3.3Å; L303-F328 WeakPolarHBondContact O-CD2 3.42Å
304	S	98.4	Very high	98.4	Very high	32 Å²	32	32 Å²	32	22%	0.224	17%	0.166	C	C	.	.			trans	-69.9	163.4	178.1	75.3	0	0	0	0	112.9	D280 E306 C307 L308	D280-S304 PolarHBondContact OD1-N 3.42Å; D280-S304 VanDerWaalsContact OD1-N 3.15Å; D280-S304 WeakPolarHBondContact OD2-CB 3.24Å; D280-S304 PolarHBondContact OD2-N 2.77Å; D280-S304 PolarHBondContact OD2-OG 2.73Å; S304-E306 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 2.61Å; S304-C307 PolarHBondContact O-N 3.28Å; S304-C307 PolarHBondContact OG-N 3.2Å; S304-L308 VanDerWaalsContact O-CG 3.27Å; S304-L308 WeakPolarHBondContact O-CG 3.47Å; S304-L308 PolarHBondContact O-N 3.48Å
305	A	98.5	Very high	98.4	Very high	32 Å²	32	32 Å²	32	26%	0.264	17%	0.166	S	C	.	.	H	α-helix	trans	-59.7	-38.6	175.4	0	0	0	0	0	112.4	L308 E309 F328 T330 I333	A305-L308 PolarHBondContact O-N 3.08Å; A305-E309 WeakPolarHBondContact O-CB 3.31Å; A305-E309 PolarHBondContact O-N 3.49Å; A305-F328 HydrophobicContact CB-CB 4.15Å; A305-T330 HydrophobicContact CB-CG2 4.3Å; A305-I333 HydrophobicContact CB-CD1 4.2Å
306	E	98.6	Very high	98.4	Very high	140 Å²	140	34.4 Å²	34.4	65%	0.654	18%	0.182	S	C	*	.	H	α-helix	trans	-63.6	-45	177.5	-179	-179.6	173.5	0	0	111	M284 S304 N310	M284-E306 HydrophobicContact CE-CG 4.26Å; S304-E306 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 2.61Å; E306-N310 VanDerWaalsContact O-CB 3.26Å; E306-N310 WeakPolarHBondContact O-CB 3.41Å; E306-N310 PolarHBondContact O-N 2.91Å
307	C	98.7	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-52.6	176.4	-179.5	0	0	0	0	111.1	D280 M284 S304 E309 N310 F311	D280-C307 HydrophobicContact CB-CB 3.86Å; D280-C307 VanDerWaalsContact CG-CB 3.44Å; D280-C307 WeakPolarHBondContact OD1-CB 3.44Å; M284-C307 HydrophobicContact CG-CB 4.29Å; M284-C307 HydrophobicContact SD-CB 4.21Å; S304-C307 PolarHBondContact O-N 3.28Å; S304-C307 PolarHBondContact OG-N 3.2Å; C307-E309 VanDerWaalsContact C-N 3.34Å; C307-E309 PolarHBondContact O-N 2.82Å; C307-N310 WeakPolarHBondContact O-CB 3.42Å; C307-N310 PolarHBondContact O-N 3.01Å; C307-N310 VanDerWaalsContact O-N 3.1Å; C307-F311 VanDerWaalsContact O-CD1 3.23Å; C307-F311 WeakPolarHBondContact O-CD1 3.24Å; C307-F311 PolarHBondContact O-N 3.27Å
308	L	98.8	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-48.3	179.6	-69.7	166.7	0	0	0	111.4	I298 L303 S304 A305 F311 L312 T326 F328 F329 I333	I298-L308 HydrophobicContact CD1-CD2 3.47Å; I298-L308 VanDerWaalsContact CD1-CD2 3.47Å; L303-L308 HydrophobicContact CB-CD2 4.15Å; L303-L308 HydrophobicContact CB-CG 4.14Å; L303-L308 HydrophobicContact CD1-CD2 4.32Å; S304-L308 VanDerWaalsContact O-CG 3.27Å; S304-L308 WeakPolarHBondContact O-CG 3.47Å; S304-L308 PolarHBondContact O-N 3.48Å; A305-L308 PolarHBondContact O-N 3.08Å; L308-F311 HydrophobicContact CD2-CE1 4.02Å; L308-L312 HydrophobicContact CB-CD1 4.21Å; L308-L312 HydrophobicContact CD2-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CB 3.17Å; L308-L312 WeakPolarHBondContact O-CD1 3.46Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 3.31Å; L308-L312 VanDerWaalsContact O-N 3.11Å; L308-T326 HydrophobicContact CD1-CG2 3.69Å; L308-T326 HydrophobicContact CD2-CG2 4.15Å; L308-F328 HydrophobicContact CD1-CB 4.1Å; L308-F329 HydrophobicContact CD1-CB 4.42Å; L308-I333 HydrophobicContact CB-CD1 3.78Å; L308-I333 HydrophobicContact CD1-CD1 4.34Å
309	E	98.6	Very high	98.3	Very high	67 Å²	67	38.4 Å²	38.4	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-47.1	176.2	-172.3	174.7	176.2	0	0	111.6	A305 C307 T313 H332 I333	A305-E309 WeakPolarHBondContact O-CB 3.31Å; A305-E309 PolarHBondContact O-N 3.49Å; C307-E309 VanDerWaalsContact C-N 3.34Å; C307-E309 PolarHBondContact O-N 2.82Å; E309-T313 WeakPolarHBondContact O-CB 3.12Å; E309-T313 WeakPolarHBondContact O-CG2 2.99Å; E309-T313 PolarHBondContact O-N 3.13Å; E309-T313 PolarHBondContact O-OG1 3.06Å; E309-H332 VanDerWaalsContact CD-NE2 3.29Å; E309-H332 IonicContact OE1-CD2 3.62Å; E309-H332 IonicContact OE1-CE1 3.88Å; E309-H332 IonicContact OE1-NE2 2.74Å; E309-H332 PolarHBondContact OE1-NE2 3.13Å; E309-H332 IonicContact OE2-CD2 3.42Å; E309-H332 PolarHBondContact OE2-CD2 3.01Å; E309-H332 VanDerWaalsContact OE2-CD2 3.26Å; E309-H332 IonicContact OE2-NE2 2.64Å; E309-H332 PolarHBondContact OE2-NE2 2.9Å; E309-I333 HydrophobicContact CB-CG1 4.02Å
310	N	98.6	Very high	98.4	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-50.7	-176.8	178.2	-77.5	0	0	0	112.8	M284 E306 C307 T313 R314	M284-N310 HydrophobicContact CE-CB 3.91Å; M284-N310 HydrophobicContact CG-CB 4.07Å; E306-N310 VanDerWaalsContact O-CB 3.26Å; E306-N310 WeakPolarHBondContact O-CB 3.41Å; E306-N310 PolarHBondContact O-N 2.91Å; C307-N310 WeakPolarHBondContact O-CB 3.42Å; C307-N310 PolarHBondContact O-N 3.01Å; C307-N310 VanDerWaalsContact O-N 3.1Å; N310-T313 PolarHBondContact O-OG1 3.25Å; N310-R314 WeakPolarHBondContact O-CG 3.48Å; N310-R314 PolarHBondContact O-NE 3.31Å; N310-R314 PolarHBondContact OD1-NE 2.76Å; N310-R314 PolarHBondContact OD1-NH2 2.78Å
311	F	98.5	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-87.6	-38.3	-169.2	95.6	-101.1	0	0	0	112.2	M283 W288 L296 I298 L303 C307 L308 T313 R314 I315	M283-F311 HydrophobicContact CB-CD1 4.5Å; M283-F311 HydrophobicContact CE-CD1 4.43Å; M283-F311 HydrophobicContact CE-CD2 4.21Å; M283-F311 HydrophobicContact CE-CE1 4.17Å; M283-F311 HydrophobicContact CE-CE2 3.93Å; M283-F311 HydrophobicContact CE-CG 4.47Å; M283-F311 HydrophobicContact CE-CZ 3.92Å; W288-F311 HydrophobicContact CD2-CD2 4.09Å; W288-F311 AromaticContact CE2-CD2 3.76Å; W288-F311 HydrophobicContact CG-CB 4.39Å; W288-F311 HydrophobicContact CG-CD2 4.39Å; W288-F311 HydrophobicContact CZ2-CD2 4.14Å; W288-F311 AromaticContact NE1-CD2 3.82Å; W288-F311 AromaticContact NE1-CG 3.98Å; L296-F311 HydrophobicContact CD2-CE2 3.79Å; L296-F311 HydrophobicContact CD2-CZ 4.21Å; I298-F311 HydrophobicContact CD1-CZ 4.24Å; I298-F311 HydrophobicContact CG2-CZ 4.33Å; L303-F311 HydrophobicContact CD1-CE1 3.89Å; L303-F311 HydrophobicContact CD1-CZ 4.44Å; C307-F311 VanDerWaalsContact O-CD1 3.23Å; C307-F311 WeakPolarHBondContact O-CD1 3.24Å; C307-F311 PolarHBondContact O-N 3.27Å; L308-F311 HydrophobicContact CD2-CE1 4.02Å; F311-T313 VanDerWaalsContact C-N 3.27Å; F311-T313 PolarHBondContact O-N 3.12Å; F311-R314 PolarHBondContact O-N 2.98Å; F311-R314 VanDerWaalsContact O-N 3.09Å; F311-I315 HydrophobicContact CD2-CD1 4.11Å; F311-I315 HydrophobicContact CE2-CD1 4.05Å; F311-I315 PolarHBondContact O-N 3.36Å
312	L	98.7	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-33	179.2	-64.3	172.7	0	0	0	111.9	L296 L308 R314 F318 L321 F329 I333 L337	L296-L312 HydrophobicContact CD2-CD2 3.71Å; L308-L312 HydrophobicContact CB-CD1 4.21Å; L308-L312 HydrophobicContact CD2-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CB 3.17Å; L308-L312 WeakPolarHBondContact O-CD1 3.46Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 3.31Å; L308-L312 VanDerWaalsContact O-N 3.11Å; L312-R314 VanDerWaalsContact C-N 3.29Å; L312-R314 PolarHBondContact O-N 2.75Å; L312-F318 HydrophobicContact CB-CZ 4.35Å; L312-F318 HydrophobicContact CD2-CE1 4.33Å; L312-F318 HydrophobicContact CD2-CZ 3.8Å; L312-L321 HydrophobicContact CD2-CD1 4.32Å; L312-F329 HydrophobicContact CD1-CD2 4.31Å; L312-F329 HydrophobicContact CD1-CE2 3.67Å; L312-I333 HydrophobicContact CD1-CG2 4.25Å; L312-L337 HydrophobicContact CB-CD1 4.22Å; L312-L337 HydrophobicContact CB-CD2 3.83Å; L312-L337 HydrophobicContact CD1-CD1 4.2Å
313	T	98.2	Very high	98.6	Very high	41 Å²	41	27.8 Å²	27.8	25%	0.252	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.2	176.5	57.8	0	0	0	0	113.2	E309 N310 F311 T336 L337 K342	E309-T313 WeakPolarHBondContact O-CB 3.12Å; E309-T313 WeakPolarHBondContact O-CG2 2.99Å; E309-T313 PolarHBondContact O-N 3.13Å; E309-T313 PolarHBondContact O-OG1 3.06Å; N310-T313 PolarHBondContact O-OG1 3.25Å; F311-T313 VanDerWaalsContact C-N 3.27Å; F311-T313 PolarHBondContact O-N 3.12Å; T313-T336 HydrophobicContact CG2-CG2 3.76Å; T313-L337 HydrophobicContact CG2-CD2 3.96Å; T313-K342 WeakPolarHBondContact O-CE 3.37Å; T313-K342 PolarHBondContact O-NZ 3.07Å
314	R	98.5	Very high	98.5	Very high	63 Å²	63	27.8 Å²	27.8	24%	0.238	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-24.7	175.4	-71	-171.5	-65.4	143.4	-4.4	113.3	M284 V286 W288 E289 N310 F311 L312	M284-R314 PolarHBondContact O-NH2 2.65Å; V286-R314 PolarHBondContact O-NH1 3.29Å; V286-R314 PolarHBondContact O-NH2 3.48Å; W288-R314 HydrophobicContact CB-CB 3.85Å; E289-R314 VanDerWaalsContact CA-O 3.22Å; E289-R314 WeakPolarHBondContact CA-O 3.39Å; E289-R314 PolarHBondContact N-O 2.94Å; E289-R314 IonicContact OE2-NH1 2.78Å; E289-R314 PolarHBondContact OE2-NH1 3.14Å; N310-R314 WeakPolarHBondContact O-CG 3.48Å; N310-R314 PolarHBondContact O-NE 3.31Å; N310-R314 PolarHBondContact OD1-NE 2.76Å; N310-R314 PolarHBondContact OD1-NH2 2.78Å; F311-R314 PolarHBondContact O-N 2.98Å; F311-R314 VanDerWaalsContact O-N 3.09Å; L312-R314 VanDerWaalsContact C-N 3.29Å; L312-R314 PolarHBondContact O-N 2.75Å
315	I	98.4	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-59.6	131.9	170.9	-65.6	176.2	0	0	0	109.5	W288 I293 L296 F311 Y317 F318 K342	W288-I315 HydrophobicContact CB-CG1 3.92Å; W288-I315 HydrophobicContact CD2-CD1 4.36Å; W288-I315 HydrophobicContact CD2-CG1 4.14Å; W288-I315 HydrophobicContact CE3-CD1 3.85Å; W288-I315 HydrophobicContact CE3-CG1 3.81Å; W288-I315 HydrophobicContact CG-CG1 4.21Å; W288-I315 HydrophobicContact CZ3-CD1 4.31Å; I293-I315 WeakPolarHBondContact O-CG2 3.28Å; L296-I315 HydrophobicContact CD2-CD1 3.82Å; F311-I315 HydrophobicContact CD2-CD1 4.11Å; F311-I315 HydrophobicContact CE2-CD1 4.05Å; F311-I315 PolarHBondContact O-N 3.36Å; I315-Y317 PolarHBondContact O-N 2.63Å; I315-F318 HydrophobicContact CB-CE1 4.16Å; I315-F318 HydrophobicContact CB-CE2 4.48Å; I315-F318 HydrophobicContact CB-CZ 3.8Å; I315-F318 HydrophobicContact CD1-CE1 3.75Å; I315-F318 HydrophobicContact CD1-CZ 3.83Å; I315-F318 HydrophobicContact CG1-CZ 4.36Å; I315-F318 HydrophobicContact CG2-CD1 4.31Å; I315-F318 HydrophobicContact CG2-CE1 3.74Å; I315-F318 HydrophobicContact CG2-CE2 4.45Å; I315-F318 HydrophobicContact CG2-CZ 3.82Å; I315-K342 WeakPolarHBondContact O-CD 3.32Å; I315-K342 WeakPolarHBondContact O-CE 3.38Å; I315-K342 PolarHBondContact O-NZ 3.27Å
316	P	98	Very high	98.4	Very high	56 Å²	56	29 Å²	29	36%	0.364	14%	0.14	S	C	.	.			trans	-59.5	-46	-173.3	-30.4	37.4	0	0	0	114.7
317	Y	98.4	Very high	98.3	Very high	77 Å²	77	26.8 Å²	26.8	30%	0.302	13%	0.133	S	C	.	.			trans	-165.2	161.8	177.8	63.9	-84.9	0	0	0	110.7	C294 I315 T319 Q345	C294-Y317 HydrophobicContact CB-CD2 3.99Å; C294-Y317 HydrophobicContact CB-CE2 3.58Å; C294-Y317 WeakPolarHBondContact CB-O 3.36Å; I315-Y317 PolarHBondContact O-N 2.63Å; Y317-T319 HydrophobicContact CD2-CG2 4.14Å; Y317-T319 HydrophobicContact CE2-CG2 3.81Å; Y317-Q345 HydrophobicContact CD2-CB 4Å; Y317-Q345 HydrophobicContact CD2-CG 4.31Å
318	F	98.8	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.			trans	-113	140.3	173.3	-59.2	-79.1	0	0	0	111.5	L296 L312 I315 L321 L337 K342 F343 Q345 V346	L296-F318 HydrophobicContact CB-CD1 4.46Å; L296-F318 HydrophobicContact CB-CE1 4.2Å; L296-F318 HydrophobicContact CD2-CE1 4.05Å; L312-F318 HydrophobicContact CB-CZ 4.35Å; L312-F318 HydrophobicContact CD2-CE1 4.33Å; L312-F318 HydrophobicContact CD2-CZ 3.8Å; I315-F318 HydrophobicContact CB-CE1 4.16Å; I315-F318 HydrophobicContact CB-CE2 4.48Å; I315-F318 HydrophobicContact CB-CZ 3.8Å; I315-F318 HydrophobicContact CD1-CE1 3.75Å; I315-F318 HydrophobicContact CD1-CZ 3.83Å; I315-F318 HydrophobicContact CG1-CZ 4.36Å; I315-F318 HydrophobicContact CG2-CD1 4.31Å; I315-F318 HydrophobicContact CG2-CE1 3.74Å; I315-F318 HydrophobicContact CG2-CE2 4.45Å; I315-F318 HydrophobicContact CG2-CZ 3.82Å; F318-L321 HydrophobicContact CB-CB 4.38Å; F318-L321 HydrophobicContact CD1-CB 4.28Å; F318-L321 HydrophobicContact CD1-CD1 4.22Å; F318-L321 HydrophobicContact CE1-CD1 4.07Å; F318-L321 HydrophobicContact CG-CB 4.3Å; F318-L337 HydrophobicContact CE2-CD2 4.45Å; F318-K342 HydrophobicContact CD2-CB 3.92Å; F318-K342 HydrophobicContact CE2-CB 4.1Å; F318-K342 PolarHBondContact N-O 3Å; F318-F343 HydrophobicContact CB-CD1 4.49Å; F318-F343 HydrophobicContact CD2-CD1 4.46Å; F318-F343 HydrophobicContact CD2-CE1 4.12Å; F318-Q345 CarbonylContact O-C 3.25Å; F318-Q345 VanDerWaalsContact O-C 3.25Å; F318-V346 VanDerWaalsContact O-CA 3.23Å; F318-V346 WeakPolarHBondContact O-CA 3.47Å; F318-V346 PolarHBondContact O-N 3.44Å; F318-V346 VanDerWaalsContact O-N 3.08Å
319	T	98.8	Very high	98.2	Very high	17 Å²	17	31.9 Å²	31.9	10%	0.104	16%	0.155	C	C	.	.	S	Bend	trans	-106	-30.2	162.3	63.2	0	0	0	0	110.9	C294 E295 Y317 Q345 K347 A348	C294-T319 HydrophobicContact CB-CG2 4.23Å; C294-T319 WeakPolarHBondContact O-CA 3.36Å; C294-T319 PolarHBondContact O-N 3.21Å; C294-T319 PolarHBondContact O-OG1 2.9Å; E295-T319 VanDerWaalsContact CG-OG1 3.3Å; E295-T319 WeakPolarHBondContact CG-OG1 3.38Å; Y317-T319 HydrophobicContact CD2-CG2 4.14Å; Y317-T319 HydrophobicContact CE2-CG2 3.81Å; T319-Q345 HydrophobicContact CG2-CB 4.27Å; T319-K347 WeakPolarHBondContact O-CA 3.42Å; T319-K347 WeakPolarHBondContact O-CB 3.48Å; T319-K347 PolarHBondContact O-N 2.86Å; T319-A348 PolarHBondContact O-N 3.15Å; T319-A348 VanDerWaalsContact O-N 3.15Å
320	Y	98.9	Very high	98.2	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.1	172.8	-178.6	-72.6	0	0	0	108.3	C294 E295 L296 A322 A348 I503 L507	C294-Y320 PolarHBondContact O-N 3.48Å; E295-Y320 WeakPolarHBondContact CA-O 3.36Å; L296-Y320 PolarHBondContact N-O 2.92Å; Y320-A322 HydrophobicContact CE1-CB 3.63Å; Y320-A348 WeakPolarHBondContact CA-O 3.5Å; Y320-A348 HydrophobicContact CD2-CB 3.56Å; Y320-A348 HydrophobicContact CE2-CB 4.06Å; Y320-A348 HydrophobicContact CG-CB 4.28Å; Y320-I503 HydrophobicContact CD2-CD1 4.25Å; Y320-I503 HydrophobicContact CE1-CD1 4.32Å; Y320-I503 HydrophobicContact CE2-CB 4.23Å; Y320-I503 HydrophobicContact CE2-CD1 3.55Å; Y320-I503 HydrophobicContact CE2-CG1 3.73Å; Y320-I503 WeakPolarHBondContact OH-CG1 3.34Å; Y320-L507 HydrophobicContact CD1-CD2 3.92Å; Y320-L507 HydrophobicContact CD2-CD2 3.67Å; Y320-L507 HydrophobicContact CD2-CG 4.18Å; Y320-L507 HydrophobicContact CE1-CD2 4.13Å; Y320-L507 HydrophobicContact CE2-CD2 3.89Å; Y320-L507 HydrophobicContact CE2-CG 4.05Å; Y320-L507 HydrophobicContact CG-CD2 3.7Å
321	L	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.6	171.5	177.6	64.7	0	0	0	109.1	L296 L312 F318 F329 F343 A348 I349 D350	L296-L321 HydrophobicContact CB-CD1 4.37Å; L296-L321 HydrophobicContact CD2-CD1 4.24Å; L296-L321 WeakPolarHBondContact O-CA 3.46Å; L312-L321 HydrophobicContact CD2-CD1 4.32Å; F318-L321 HydrophobicContact CB-CB 4.38Å; F318-L321 HydrophobicContact CD1-CB 4.28Å; F318-L321 HydrophobicContact CD1-CD1 4.22Å; F318-L321 HydrophobicContact CE1-CD1 4.07Å; F318-L321 HydrophobicContact CG-CB 4.3Å; L321-F329 HydrophobicContact CD2-CZ 4.44Å; L321-F343 HydrophobicContact CD2-CE1 3.72Å; L321-F343 HydrophobicContact CD2-CZ 3.87Å; L321-A348 PolarHBondContact N-O 2.64Å; L321-I349 CarbonylContact O-C 3.51Å; L321-I349 VanDerWaalsContact O-CA 3.28Å; L321-I349 WeakPolarHBondContact O-CA 3.48Å; L321-D350 PolarHBondContact O-N 2.91Å
322	A	98.8	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.3	169.9	0	0	0	0	0	109.8	L296 D297 I298 Y320 D350	L296-A322 PolarHBondContact O-N 2.98Å; D297-A322 HydrophobicContact CB-CB 4.15Å; D297-A322 VanDerWaalsContact CG-CB 3.48Å; D297-A322 WeakPolarHBondContact OD1-CB 3.34Å; I298-A322 WeakPolarHBondContact CG1-O 3.49Å; I298-A322 PolarHBondContact N-O 2.82Å; Y320-A322 HydrophobicContact CE1-CB 3.63Å; A322-D350 HydrophobicContact CB-CB 3.82Å
323	A	98.5	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	-141.9	45.7	177.7	0	0	0	0	0	108.7	I298 T326 F329 D350 L351 T354	I298-A323 HydrophobicContact CD1-CB 4.13Å; I298-A323 HydrophobicContact CG1-CB 4Å; A323-T326 VanDerWaalsContact C-OG1 3.3Å; A323-T326 WeakPolarHBondContact CA-OG1 3.3Å; A323-T326 WeakPolarHBondContact O-CB 3.42Å; A323-T326 PolarHBondContact O-OG1 3.11Å; A323-F329 HydrophobicContact CB-CD2 3.81Å; A323-F329 HydrophobicContact CB-CE2 4.07Å; A323-F329 HydrophobicContact CB-CG 4.45Å; A323-D350 PolarHBondContact N-O 2.94Å; A323-L351 HydrophobicContact CB-CD2 4.24Å; A323-T354 WeakPolarHBondContact O-CG2 3.26Å
324	G	98	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	147.7	175.5	0	0	0	0	0	110.4	T299 S300 T326 S352	T299-G324 CarbonylContact C-O 3.21Å; T299-G324 WeakPolarHBondContact CA-O 3.44Å; T299-G324 VanDerWaalsContact CG2-O 3.23Å; T299-G324 WeakPolarHBondContact CG2-O 3.13Å; T299-G324 PolarHBondContact OG1-N 3.2Å; T299-G324 VanDerWaalsContact OG1-N 3.17Å; S300-G324 PolarHBondContact N-O 3.04Å; G324-T326 PolarHBondContact O-N 2.64Å; G324-T326 PolarHBondContact O-OG1 2.92Å; G324-S352 CarbonylContact C-O 3.58Å; G324-S352 WeakPolarHBondContact CA-O 3.46Å
325	H	97.3	Very high	98.2	Very high	89 Å²	89	31.7 Å²	31.7	41%	0.412	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	25	-178.4	-59.2	88.5	0	0	0	114.2	D327 S352 H353	H325-D327 PolarHBondContact O-N 3.48Å; H325-S352 PolarHBondContact N-O 2.89Å; H325-H353 VanDerWaalsContact CD2-CB 3.43Å; H325-H353 WeakPolarHBondContact CD2-CB 3.29Å; H325-H353 AromaticContact CD2-CG 3.78Å; H325-H353 AromaticContact CE1-CD2 3.34Å; H325-H353 PolarHBondContact CE1-CD2 2.71Å; H325-H353 AromaticContact CE1-CG 3.58Å; H325-H353 WeakPolarHBondContact NE2-CB 3.5Å; H325-H353 AromaticContact NE2-CD2 3.44Å; H325-H353 PolarHBondContact NE2-CD2 2.93Å; H325-H353 AromaticContact NE2-CG 3.25Å; H325-H353 AromaticContact NE2-ND1 3.69Å
326	T	97.6	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.			trans	-94.9	89.1	175	-52.2	0	0	0	0	108.7	I298 L308 A323 G324 F328 F329	I298-T326 PolarHBondContact O-OG1 3.28Å; L308-T326 HydrophobicContact CD1-CG2 3.69Å; L308-T326 HydrophobicContact CD2-CG2 4.15Å; A323-T326 VanDerWaalsContact C-OG1 3.3Å; A323-T326 WeakPolarHBondContact CA-OG1 3.3Å; A323-T326 WeakPolarHBondContact O-CB 3.42Å; A323-T326 PolarHBondContact O-OG1 3.11Å; G324-T326 PolarHBondContact O-N 2.64Å; G324-T326 PolarHBondContact O-OG1 2.92Å; T326-F328 PolarHBondContact O-N 3.14Å; T326-F328 VanDerWaalsContact O-N 3.15Å; T326-F329 HydrophobicContact CG2-CB 3.98Å; T326-F329 WeakPolarHBondContact O-CB 3.41Å; T326-F329 PolarHBondContact O-N 3.27Å
327	D	95.2	Very high	98.2	Very high	93 Å²	93	30.7 Å²	30.7	50%	0.497	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.1	-170.7	-77.8	-11.3	0	0	0	114.2	H325 P355 A356	H325-D327 PolarHBondContact O-N 3.48Å; D327-P355 HydrophobicContact CB-CG 4.46Å; D327-P355 WeakPolarHBondContact OD1-CD 3.03Å; D327-P355 WeakPolarHBondContact OD1-CG 3.46Å; D327-A356 VanDerWaalsContact O-CB 3.28Å; D327-A356 WeakPolarHBondContact O-CB 3.33Å
328	F	97.7	Very high	98.2	Very high	107 Å²	107	27.6 Å²	27.6	47%	0.469	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6	-178.8	-56.3	-68.4	0	0	0	114.1	L303 A305 L308 T326 T330 I333	L303-F328 VanDerWaalsContact O-CD2 3.3Å; L303-F328 WeakPolarHBondContact O-CD2 3.42Å; A305-F328 HydrophobicContact CB-CB 4.15Å; L308-F328 HydrophobicContact CD1-CB 4.1Å; T326-F328 PolarHBondContact O-N 3.14Å; T326-F328 VanDerWaalsContact O-N 3.15Å; F328-T330 WeakPolarHBondContact O-CG2 3.27Å; F328-T330 PolarHBondContact O-N 3.01Å; F328-T330 VanDerWaalsContact O-N 3.07Å; F328-I333 WeakPolarHBondContact O-CD1 3.29Å
329	F	98.3	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.			trans	-75.8	96	172	-160.7	-76.3	0	0	0	109.4	L308 L312 L321 A323 T326 I333 L334 L337 L351 T354 L357	L308-F329 HydrophobicContact CD1-CB 4.42Å; L312-F329 HydrophobicContact CD1-CD2 4.31Å; L312-F329 HydrophobicContact CD1-CE2 3.67Å; L321-F329 HydrophobicContact CD2-CZ 4.44Å; A323-F329 HydrophobicContact CB-CD2 3.81Å; A323-F329 HydrophobicContact CB-CE2 4.07Å; A323-F329 HydrophobicContact CB-CG 4.45Å; T326-F329 HydrophobicContact CG2-CB 3.98Å; T326-F329 WeakPolarHBondContact O-CB 3.41Å; T326-F329 PolarHBondContact O-N 3.27Å; F329-I333 HydrophobicContact CD2-CG2 4.4Å; F329-I333 HydrophobicContact CE1-CG2 4.27Å; F329-I333 HydrophobicContact CE2-CG2 4.03Å; F329-I333 HydrophobicContact CZ-CG2 3.95Å; F329-L334 HydrophobicContact CE1-CB 4.05Å; F329-L334 HydrophobicContact CE1-CD1 4.23Å; F329-L337 HydrophobicContact CZ-CD1 4.02Å; F329-L351 HydrophobicContact CD1-CD2 4.05Å; F329-L351 HydrophobicContact CE1-CD2 3.75Å; F329-L351 HydrophobicContact CZ-CD2 4.02Å; F329-T354 HydrophobicContact CB-CG2 4.32Å; F329-L357 HydrophobicContact CD1-CD1 3.75Å; F329-L357 HydrophobicContact CD1-CD2 4.11Å; F329-L357 HydrophobicContact CD1-CG 4.12Å; F329-L357 HydrophobicContact CE1-CD1 4.17Å; F329-L357 HydrophobicContact CE1-CD2 4.45Å; F329-L357 WeakPolarHBondContact O-CG 3.33Å
330	T	98.1	Very high	98	Very high	39 Å²	39	36.3 Å²	36.3	24%	0.239	19%	0.191	C	C	.	.			trans	-93.4	167.2	-171.1	69.3	0	0	0	0	114	A305 F328 H332 I333 L334 A356 L357	A305-T330 HydrophobicContact CB-CG2 4.3Å; F328-T330 WeakPolarHBondContact O-CG2 3.27Å; F328-T330 PolarHBondContact O-N 3.01Å; F328-T330 VanDerWaalsContact O-N 3.07Å; T330-H332 PolarHBondContact O-N 3.13Å; T330-H332 PolarHBondContact OG1-N 3.44Å; T330-I333 PolarHBondContact O-N 3.05Å; T330-I333 PolarHBondContact OG1-N 2.93Å; T330-L334 PolarHBondContact O-N 3.25Å; T330-A356 HydrophobicContact CG2-CB 4.08Å; T330-L357 VanDerWaalsContact C-CD2 3.43Å; T330-L357 WeakPolarHBondContact O-CD2 3.27Å
331	D	98.5	Very high	98	Very high	35 Å²	35	36.8 Å²	36.8	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-53.8	-40.2	170.3	-68.8	-59.6	0	0	0	113.1	L334 N335 A356 N358 S361	D331-L334 PolarHBondContact O-N 3.25Å; D331-N335 WeakPolarHBondContact O-CB 3.47Å; D331-N335 VanDerWaalsContact O-CG 3.25Å; D331-N335 PolarHBondContact O-N 3.15Å; D331-N335 PolarHBondContact O-ND2 3.18Å; D331-A356 PolarHBondContact N-O 2.69Å; D331-N358 VanDerWaalsContact CG-CG 3.46Å; D331-N358 PolarHBondContact OD1-N 2.74Å; D331-N358 PolarHBondContact OD1-ND2 2.83Å; D331-N358 VanDerWaalsContact OD1-ND2 3.15Å; D331-N358 PolarHBondContact OD1-OD1 3.18Å; D331-N358 VanDerWaalsContact OD2-CG 3.29Å; D331-N358 PolarHBondContact OD2-N 3.05Å; D331-N358 PolarHBondContact OD2-ND2 3.33Å; D331-S361 WeakPolarHBondContact CB-OG 3.48Å; D331-S361 VanDerWaalsContact CG-OG 3.27Å; D331-S361 WeakPolarHBondContact OD1-CB 3.43Å; D331-S361 PolarHBondContact OD1-OG 2.93Å
332	H	98.4	Very high	97.9	Very high	99 Å²	99	38 Å²	38	46%	0.458	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-45	179	177.7	64.6	0	0	0	111.4	E309 T330 T336	E309-H332 VanDerWaalsContact CD-NE2 3.29Å; E309-H332 IonicContact OE1-CD2 3.62Å; E309-H332 IonicContact OE1-CE1 3.88Å; E309-H332 IonicContact OE1-NE2 2.74Å; E309-H332 PolarHBondContact OE1-NE2 3.13Å; E309-H332 IonicContact OE2-CD2 3.42Å; E309-H332 PolarHBondContact OE2-CD2 3.01Å; E309-H332 VanDerWaalsContact OE2-CD2 3.26Å; E309-H332 IonicContact OE2-NE2 2.64Å; E309-H332 PolarHBondContact OE2-NE2 2.9Å; T330-H332 PolarHBondContact O-N 3.13Å; T330-H332 PolarHBondContact OG1-N 3.44Å; H332-T336 VanDerWaalsContact O-CB 3.28Å; H332-T336 WeakPolarHBondContact O-CB 3.11Å; H332-T336 PolarHBondContact O-N 2.89Å; H332-T336 PolarHBondContact O-OG1 2.96Å
333	I	98.6	Very high	97.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-50.7	175.8	-66.4	162.3	0	0	0	110	A305 L308 E309 L312 F328 F329 T330 N335 T336 L337	A305-I333 HydrophobicContact CB-CD1 4.2Å; L308-I333 HydrophobicContact CB-CD1 3.78Å; L308-I333 HydrophobicContact CD1-CD1 4.34Å; E309-I333 HydrophobicContact CB-CG1 4.02Å; L312-I333 HydrophobicContact CD1-CG2 4.25Å; F328-I333 WeakPolarHBondContact O-CD1 3.29Å; F329-I333 HydrophobicContact CD2-CG2 4.4Å; F329-I333 HydrophobicContact CE1-CG2 4.27Å; F329-I333 HydrophobicContact CE2-CG2 4.03Å; F329-I333 HydrophobicContact CZ-CG2 3.95Å; T330-I333 PolarHBondContact O-N 3.05Å; T330-I333 PolarHBondContact OG1-N 2.93Å; I333-N335 PolarHBondContact O-N 3.18Å; I333-T336 PolarHBondContact O-N 3.01Å; I333-L337 HydrophobicContact CG2-CD1 3.96Å; I333-L337 HydrophobicContact CG2-CG 4.37Å; I333-L337 VanDerWaalsContact O-CG 3.3Å; I333-L337 WeakPolarHBondContact O-CG 3.07Å; I333-L337 PolarHBondContact O-N 3Å
334	L	98.8	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-46.1	-177.6	-177.1	60.7	0	0	0	112.2	F329 T330 D331 L337 C338 F343 L351 L357 I362 L365	F329-L334 HydrophobicContact CE1-CB 4.05Å; F329-L334 HydrophobicContact CE1-CD1 4.23Å; T330-L334 PolarHBondContact O-N 3.25Å; D331-L334 PolarHBondContact O-N 3.25Å; L334-L337 PolarHBondContact O-N 2.88Å; L334-C338 PolarHBondContact O-N 3.35Å; L334-C338 PolarHBondContact O-SG 3.17Å; L334-F343 HydrophobicContact CD1-CE2 3.88Å; L334-F343 HydrophobicContact CD1-CZ 4.24Å; L334-L351 HydrophobicContact CD1-CD1 4.23Å; L334-L351 HydrophobicContact CD2-CD1 4.45Å; L334-L357 HydrophobicContact CB-CD2 3.8Å; L334-L357 HydrophobicContact CD2-CD1 4.47Å; L334-L357 HydrophobicContact CD2-CD2 3.86Å; L334-L357 HydrophobicContact CG-CD2 4.46Å; L334-I362 HydrophobicContact CD2-CG1 4.3Å; L334-L365 HydrophobicContact CD1-CD1 4.3Å; L334-L365 HydrophobicContact CD1-CD2 4.07Å; L334-L365 HydrophobicContact CD2-CB 4.42Å; L334-L365 HydrophobicContact CD2-CD2 4.39Å
335	N	98.5	Very high	97.9	Very high	47 Å²	47	49.9 Å²	49.9	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-42.8	179	-68.7	-42	0	0	0	111	D331 I333 L337 C338 D339 S361	D331-N335 WeakPolarHBondContact O-CB 3.47Å; D331-N335 VanDerWaalsContact O-CG 3.25Å; D331-N335 PolarHBondContact O-N 3.15Å; D331-N335 PolarHBondContact O-ND2 3.18Å; I333-N335 PolarHBondContact O-N 3.18Å; N335-L337 VanDerWaalsContact C-N 3.33Å; N335-L337 PolarHBondContact O-N 3.36Å; N335-C338 WeakPolarHBondContact O-CB 3.22Å; N335-C338 PolarHBondContact O-N 3.23Å; N335-C338 VanDerWaalsContact O-N 3.11Å; N335-D339 WeakPolarHBondContact O-CB 3.39Å; N335-D339 VanDerWaalsContact O-CG 3.31Å; N335-D339 PolarHBondContact O-N 2.67Å; N335-S361 PolarHBondContact ND2-OG 3.46Å
336	T	98.4	Very high	97.9	Very high	36 Å²	36	45.7 Å²	45.7	22%	0.221	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-40.8	176.9	-60.2	0	0	0	0	112.1	T313 H332 I333 D339 S340	T313-T336 HydrophobicContact CG2-CG2 3.76Å; H332-T336 VanDerWaalsContact O-CB 3.28Å; H332-T336 WeakPolarHBondContact O-CB 3.11Å; H332-T336 PolarHBondContact O-N 2.89Å; H332-T336 PolarHBondContact O-OG1 2.96Å; I333-T336 PolarHBondContact O-N 3.01Å; T336-D339 PolarHBondContact O-N 2.97Å; T336-S340 VanDerWaalsContact O-CB 3.31Å; T336-S340 WeakPolarHBondContact O-CB 3.18Å; T336-S340 PolarHBondContact O-N 2.84Å; T336-S340 PolarHBondContact O-OG 3.02Å
337	L	98.6	Very high	98	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-35.9	175.4	-65.6	176	0	0	0	112.6	L312 T313 F318 F329 I333 L334 N335 S340 G341 K342 F343	L312-L337 HydrophobicContact CB-CD1 4.22Å; L312-L337 HydrophobicContact CB-CD2 3.83Å; L312-L337 HydrophobicContact CD1-CD1 4.2Å; T313-L337 HydrophobicContact CG2-CD2 3.96Å; F318-L337 HydrophobicContact CE2-CD2 4.45Å; F329-L337 HydrophobicContact CZ-CD1 4.02Å; I333-L337 HydrophobicContact CG2-CD1 3.96Å; I333-L337 HydrophobicContact CG2-CG 4.37Å; I333-L337 VanDerWaalsContact O-CG 3.3Å; I333-L337 WeakPolarHBondContact O-CG 3.07Å; I333-L337 PolarHBondContact O-N 3Å; L334-L337 PolarHBondContact O-N 2.88Å; N335-L337 VanDerWaalsContact C-N 3.33Å; N335-L337 PolarHBondContact O-N 3.36Å; L337-S340 PolarHBondContact O-OG 3.35Å; L337-G341 PolarHBondContact O-N 2.88Å; L337-K342 HydrophobicContact CB-CB 4.4Å; L337-K342 HydrophobicContact CB-CG 4.45Å; L337-K342 HydrophobicContact CD2-CB 4.4Å; L337-K342 HydrophobicContact CD2-CG 3.91Å; L337-K342 WeakPolarHBondContact O-CB 3.23Å; L337-K342 PolarHBondContact O-N 2.84Å; L337-F343 HydrophobicContact CB-CD2 4.25Å; L337-F343 HydrophobicContact CB-CE2 3.5Å; L337-F343 VanDerWaalsContact CB-CE2 3.5Å; L337-F343 HydrophobicContact CB-CZ 3.86Å; L337-F343 HydrophobicContact CD1-CE2 4.38Å; L337-F343 HydrophobicContact CD1-CZ 3.95Å
338	C	97.9	Very high	98.2	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.081	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-52.4	172.8	-66.7	0	0	0	0	111.2	L334 N335 S340 G341	L334-C338 PolarHBondContact O-N 3.35Å; L334-C338 PolarHBondContact O-SG 3.17Å; N335-C338 WeakPolarHBondContact O-CB 3.22Å; N335-C338 PolarHBondContact O-N 3.23Å; N335-C338 VanDerWaalsContact O-N 3.11Å; C338-S340 VanDerWaalsContact C-N 3.34Å; C338-S340 PolarHBondContact O-N 2.65Å; C338-G341 WeakPolarHBondContact O-CA 3.4Å; C338-G341 PolarHBondContact O-N 3.5Å
339	D	97.2	Very high	98.2	Very high	139 Å²	139	40 Å²	40	74%	0.743	21%	0.207	S	C	*	.	H	α-helix	trans	-66.4	-35.7	-174.4	-69.2	-17.8	0	0	0	112.3	N335 T336 G341	N335-D339 WeakPolarHBondContact O-CB 3.39Å; N335-D339 VanDerWaalsContact O-CG 3.31Å; N335-D339 PolarHBondContact O-N 2.67Å; T336-D339 PolarHBondContact O-N 2.97Å; D339-G341 PolarHBondContact O-N 2.93Å
340	S	97	Very high	98.2	Very high	60 Å²	60	40.7 Å²	40.7	42%	0.42	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.3	173.4	60.3	0	0	0	0	113.7	T336 L337 C338 K342	T336-S340 VanDerWaalsContact O-CB 3.31Å; T336-S340 WeakPolarHBondContact O-CB 3.18Å; T336-S340 PolarHBondContact O-N 2.84Å; T336-S340 PolarHBondContact O-OG 3.02Å; L337-S340 PolarHBondContact O-OG 3.35Å; C338-S340 VanDerWaalsContact C-N 3.34Å; C338-S340 PolarHBondContact O-N 2.65Å; S340-K342 PolarHBondContact O-N 2.73Å; S340-K342 WeakPolarHBondContact OG-CG 3.14Å
341	G	97.5	Very high	98.3	Very high	14 Å²	14	38.9 Å²	38.9	14%	0.144	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	19.3	172.4	0	0	0	0	0	114.9	L337 C338 D339 F343 K344	L337-G341 PolarHBondContact O-N 2.88Å; C338-G341 WeakPolarHBondContact O-CA 3.4Å; C338-G341 PolarHBondContact O-N 3.5Å; D339-G341 PolarHBondContact O-N 2.93Å; G341-F343 PolarHBondContact O-N 3.31Å; G341-K344 WeakPolarHBondContact O-CB 3.35Å; G341-K344 VanDerWaalsContact O-CG 3.29Å; G341-K344 WeakPolarHBondContact O-CG 3.41Å; G341-K344 PolarHBondContact O-N 3.45Å
342	K	98	Very high	98.2	Very high	27 Å²	27	37.4 Å²	37.4	12%	0.117	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.4	-178.2	-55	-55.9	-176	165.6	0	112.9	T313 I315 F318 L337 S340	T313-K342 WeakPolarHBondContact O-CE 3.37Å; T313-K342 PolarHBondContact O-NZ 3.07Å; I315-K342 WeakPolarHBondContact O-CD 3.32Å; I315-K342 WeakPolarHBondContact O-CE 3.38Å; I315-K342 PolarHBondContact O-NZ 3.27Å; F318-K342 HydrophobicContact CD2-CB 3.92Å; F318-K342 HydrophobicContact CE2-CB 4.1Å; F318-K342 PolarHBondContact N-O 3Å; L337-K342 HydrophobicContact CB-CB 4.4Å; L337-K342 HydrophobicContact CB-CG 4.45Å; L337-K342 HydrophobicContact CD2-CB 4.4Å; L337-K342 HydrophobicContact CD2-CG 3.91Å; L337-K342 WeakPolarHBondContact O-CB 3.23Å; L337-K342 PolarHBondContact O-N 2.84Å; S340-K342 PolarHBondContact O-N 2.73Å; S340-K342 WeakPolarHBondContact OG-CG 3.14Å
343	F	98.5	Very high	98.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7	-179.9	-63.3	-50	0	0	0	114.9	F318 L321 L334 L337 G341 Q345 V346 I349 L365 H369 Q372	F318-F343 HydrophobicContact CB-CD1 4.49Å; F318-F343 HydrophobicContact CD2-CD1 4.46Å; F318-F343 HydrophobicContact CD2-CE1 4.12Å; L321-F343 HydrophobicContact CD2-CE1 3.72Å; L321-F343 HydrophobicContact CD2-CZ 3.87Å; L334-F343 HydrophobicContact CD1-CE2 3.88Å; L334-F343 HydrophobicContact CD1-CZ 4.24Å; L337-F343 HydrophobicContact CB-CD2 4.25Å; L337-F343 HydrophobicContact CB-CE2 3.5Å; L337-F343 VanDerWaalsContact CB-CE2 3.5Å; L337-F343 HydrophobicContact CB-CZ 3.86Å; L337-F343 HydrophobicContact CD1-CE2 4.38Å; L337-F343 HydrophobicContact CD1-CZ 3.95Å; G341-F343 PolarHBondContact O-N 3.31Å; F343-Q345 PolarHBondContact O-N 3.41Å; F343-V346 HydrophobicContact CB-CB 4.13Å; F343-V346 HydrophobicContact CB-CG1 3.8Å; F343-V346 HydrophobicContact CD1-CB 3.94Å; F343-V346 HydrophobicContact CD1-CG1 4.22Å; F343-V346 HydrophobicContact CD1-CG2 3.96Å; F343-V346 HydrophobicContact CG-CB 4.48Å; F343-V346 HydrophobicContact CG-CG1 4.36Å; F343-V346 VanDerWaalsContact O-CG1 3.24Å; F343-V346 WeakPolarHBondContact O-CG1 3.4Å; F343-V346 PolarHBondContact O-N 3.34Å; F343-V346 VanDerWaalsContact O-N 3.07Å; F343-I349 HydrophobicContact CD1-CD1 4.32Å; F343-I349 HydrophobicContact CE1-CD1 4.37Å; F343-L365 HydrophobicContact CD2-CD1 3.65Å; F343-L365 HydrophobicContact CE2-CD1 3.96Å; F343-L365 HydrophobicContact CG-CD1 4.2Å; F343-H369 PolarHBondContact O-ND1 3.08Å; F343-Q372 PolarHBondContact O-NE2 2.95Å
344	K	97.2	Very high	98	Very high	149 Å²	149	35.4 Å²	35.4	65%	0.648	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.3	178.1	-76.7	176.7	-177.7	176.5	0	113.8	G341 Q372	G341-K344 WeakPolarHBondContact O-CB 3.35Å; G341-K344 VanDerWaalsContact O-CG 3.29Å; G341-K344 WeakPolarHBondContact O-CG 3.41Å; G341-K344 PolarHBondContact O-N 3.45Å; K344-Q372 PolarHBondContact O-NE2 2.73Å; K344-Q372 PolarHBondContact O-OE1 2.91Å
345	Q	98	Very high	97.7	Very high	99 Å²	99	40.1 Å²	40.1	46%	0.463	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	7.1	-179.9	-59.8	-172.4	48	0	0	113.7	Y317 F318 T319 F343 K347	Y317-Q345 HydrophobicContact CD2-CB 4Å; Y317-Q345 HydrophobicContact CD2-CG 4.31Å; F318-Q345 CarbonylContact O-C 3.25Å; F318-Q345 VanDerWaalsContact O-C 3.25Å; T319-Q345 HydrophobicContact CG2-CB 4.27Å; F343-Q345 PolarHBondContact O-N 3.41Å; Q345-K347 PolarHBondContact O-N 3.25Å
346	V	98.6	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.			trans	-64.8	135.5	-172.5	77.7	0	0	0	0	111.6	F318 F343 I349 H369 Q372 L373	F318-V346 VanDerWaalsContact O-CA 3.23Å; F318-V346 WeakPolarHBondContact O-CA 3.47Å; F318-V346 PolarHBondContact O-N 3.44Å; F318-V346 VanDerWaalsContact O-N 3.08Å; F343-V346 HydrophobicContact CB-CB 4.13Å; F343-V346 HydrophobicContact CB-CG1 3.8Å; F343-V346 HydrophobicContact CD1-CB 3.94Å; F343-V346 HydrophobicContact CD1-CG1 4.22Å; F343-V346 HydrophobicContact CD1-CG2 3.96Å; F343-V346 HydrophobicContact CG-CB 4.48Å; F343-V346 HydrophobicContact CG-CG1 4.36Å; F343-V346 VanDerWaalsContact O-CG1 3.24Å; F343-V346 WeakPolarHBondContact O-CG1 3.4Å; F343-V346 PolarHBondContact O-N 3.34Å; F343-V346 VanDerWaalsContact O-N 3.07Å; V346-I349 HydrophobicContact CG1-CD1 4.07Å; V346-I349 HydrophobicContact CG2-CD1 3.81Å; V346-I349 HydrophobicContact CG2-CG1 3.49Å; V346-I349 VanDerWaalsContact CG2-CG1 3.49Å; V346-H369 HydrophobicContact CG1-CB 4.27Å; V346-Q372 VanDerWaalsContact N-NE2 3.17Å; V346-Q372 PolarHBondContact O-NE2 2.84Å; V346-L373 HydrophobicContact CG1-CD2 3.8Å; V346-L373 HydrophobicContact CG2-CD2 4.34Å
347	K	98.7	Very high	97.5	Very high	80 Å²	80	38.1 Å²	38.1	35%	0.348	21%	0.206	S	C	.	.			trans	-119.4	-28.6	178.8	-62.3	-51	-174.6	-171	0	112.4	T319 Q345 Q372 H374 G375	T319-K347 WeakPolarHBondContact O-CA 3.42Å; T319-K347 WeakPolarHBondContact O-CB 3.48Å; T319-K347 PolarHBondContact O-N 2.86Å; Q345-K347 PolarHBondContact O-N 3.25Å; K347-Q372 WeakPolarHBondContact CD-O 3.45Å; K347-H374 WeakPolarHBondContact O-CA 3.09Å; K347-H374 PolarHBondContact O-N 3.21Å; K347-G375 PolarHBondContact O-N 3.19Å
348	A	98.9	Very high	97.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.1	179	0	0	0	0	0	110.7	T319 Y320 L321 G375 I503 L506	T319-A348 PolarHBondContact O-N 3.15Å; T319-A348 VanDerWaalsContact O-N 3.15Å; Y320-A348 WeakPolarHBondContact CA-O 3.5Å; Y320-A348 HydrophobicContact CD2-CB 3.56Å; Y320-A348 HydrophobicContact CE2-CB 4.06Å; Y320-A348 HydrophobicContact CG-CB 4.28Å; L321-A348 PolarHBondContact N-O 2.64Å; A348-G375 WeakPolarHBondContact CA-O 3.46Å; A348-I503 HydrophobicContact CB-CB 4.25Å; A348-I503 HydrophobicContact CB-CD1 3.82Å; A348-L506 HydrophobicContact CB-CB 4.18Å; A348-L506 HydrophobicContact CB-CD1 3.76Å
349	I	98.8	Very high	97.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.7	177.7	-65.4	-180	0	0	0	109	L321 F343 V346 L351 L365 L373 G375 L376 M377	L321-I349 CarbonylContact O-C 3.51Å; L321-I349 VanDerWaalsContact O-CA 3.28Å; L321-I349 WeakPolarHBondContact O-CA 3.48Å; F343-I349 HydrophobicContact CD1-CD1 4.32Å; F343-I349 HydrophobicContact CE1-CD1 4.37Å; V346-I349 HydrophobicContact CG1-CD1 4.07Å; V346-I349 HydrophobicContact CG2-CD1 3.81Å; V346-I349 HydrophobicContact CG2-CG1 3.49Å; V346-I349 VanDerWaalsContact CG2-CG1 3.49Å; I349-L351 HydrophobicContact CG2-CD1 3.67Å; I349-L351 HydrophobicContact CG2-CD2 4.43Å; I349-L351 HydrophobicContact CG2-CG 3.55Å; I349-L365 HydrophobicContact CD1-CD1 4.07Å; I349-L365 HydrophobicContact CD1-CD2 3.94Å; I349-L365 HydrophobicContact CD1-CG 4.41Å; I349-L373 HydrophobicContact CD1-CD2 4.09Å; I349-L373 HydrophobicContact CG1-CD2 4.01Å; I349-G375 PolarHBondContact N-O 3.33Å; I349-G375 VanDerWaalsContact N-O 3.08Å; I349-L376 HydrophobicContact CB-CD1 4.42Å; I349-L376 CarbonylContact O-C 3.57Å; I349-L376 WeakPolarHBondContact O-CA 3.38Å; I349-M377 PolarHBondContact O-N 2.98Å
350	D	98.8	Very high	97.3	Very high	13 Å²	13	43 Å²	43	7%	0.07	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.2	164.2	-173.3	-3.3	0	0	0	109.4	L321 A322 A323 S352 M377 I503	L321-D350 PolarHBondContact O-N 2.91Å; A322-D350 HydrophobicContact CB-CB 3.82Å; A323-D350 PolarHBondContact N-O 2.94Å; D350-S352 WeakPolarHBondContact OD1-CB 3.43Å; D350-S352 PolarHBondContact OD1-N 3Å; D350-S352 PolarHBondContact OD1-OG 3.49Å; D350-S352 PolarHBondContact OD2-OG 3.23Å; D350-M377 HydrophobicContact CB-CB 3.96Å; D350-M377 HydrophobicContact CB-SD 4.41Å; D350-M377 VanDerWaalsContact OD1-CB 3.29Å; D350-M377 WeakPolarHBondContact OD1-CB 3.26Å; D350-M377 WeakPolarHBondContact OD2-CE 3.38Å; D350-I503 HydrophobicContact CB-CD1 3.72Å; D350-I503 HydrophobicContact CB-CG1 4.29Å
351	L	98.4	Very high	97.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.207	C	C	.	.			trans	-126.5	31.4	172.6	-61.2	168.6	0	0	0	109	A323 F329 L334 I349 T354 L357 L365 M377 L378 K381	A323-L351 HydrophobicContact CB-CD2 4.24Å; F329-L351 HydrophobicContact CD1-CD2 4.05Å; F329-L351 HydrophobicContact CE1-CD2 3.75Å; F329-L351 HydrophobicContact CZ-CD2 4.02Å; L334-L351 HydrophobicContact CD1-CD1 4.23Å; L334-L351 HydrophobicContact CD2-CD1 4.45Å; I349-L351 HydrophobicContact CG2-CD1 3.67Å; I349-L351 HydrophobicContact CG2-CD2 4.43Å; I349-L351 HydrophobicContact CG2-CG 3.55Å; L351-T354 PolarHBondContact O-OG1 3.44Å; L351-L357 HydrophobicContact CB-CD1 4.05Å; L351-L357 HydrophobicContact CD1-CD1 3.92Å; L351-L357 HydrophobicContact CD2-CD1 4.1Å; L351-L357 HydrophobicContact CG-CD1 4.24Å; L351-L365 HydrophobicContact CD1-CD2 4.21Å; L351-M377 PolarHBondContact N-O 3.05Å; L351-L378 HydrophobicContact CB-CD2 3.95Å; L351-K381 WeakPolarHBondContact O-CE 3.47Å
352	S	97.5	Very high	97.4	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.028	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	147.6	176.4	58.7	0	0	0	0	111.2	G324 H325 D350 T354 M377 H379	G324-S352 CarbonylContact C-O 3.58Å; G324-S352 WeakPolarHBondContact CA-O 3.46Å; H325-S352 PolarHBondContact N-O 2.89Å; D350-S352 WeakPolarHBondContact OD1-CB 3.43Å; D350-S352 PolarHBondContact OD1-N 3Å; D350-S352 PolarHBondContact OD1-OG 3.49Å; D350-S352 PolarHBondContact OD2-OG 3.23Å; S352-T354 PolarHBondContact O-N 3.46Å; S352-M377 PolarHBondContact N-O 3.19Å; S352-H379 CarbonylContact C-O 3.48Å; S352-H379 VanDerWaalsContact CA-O 3.27Å; S352-H379 WeakPolarHBondContact CA-O 3.33Å; S352-H379 WeakPolarHBondContact CB-CE1 3.47Å; S352-H379 WeakPolarHBondContact CB-ND1 3.36Å
353	H	96.2	Very high	97.4	Very high	60 Å²	60	39.5 Å²	39.5	28%	0.278	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	34.8	175	-62.4	-89.5	0	0	0	115.7	H325 P355 H379 G380	H325-H353 VanDerWaalsContact CD2-CB 3.43Å; H325-H353 WeakPolarHBondContact CD2-CB 3.29Å; H325-H353 AromaticContact CD2-CG 3.78Å; H325-H353 AromaticContact CE1-CD2 3.34Å; H325-H353 PolarHBondContact CE1-CD2 2.71Å; H325-H353 AromaticContact CE1-CG 3.58Å; H325-H353 WeakPolarHBondContact NE2-CB 3.5Å; H325-H353 AromaticContact NE2-CD2 3.44Å; H325-H353 PolarHBondContact NE2-CD2 2.93Å; H325-H353 AromaticContact NE2-CG 3.25Å; H325-H353 AromaticContact NE2-ND1 3.69Å; H353-P355 WeakPolarHBondContact O-CD 3.31Å; H353-H379 AromaticContact CD2-CD2 3.63Å; H353-H379 AromaticContact CD2-NE2 3.61Å; H353-H379 PolarHBondContact N-O 3.33Å; H353-H379 AromaticContact NE2-CD2 3.23Å; H353-H379 PolarHBondContact NE2-CD2 3.24Å; H353-H379 AromaticContact NE2-NE2 3.51Å; H353-G380 VanDerWaalsContact CE1-CA 3.48Å; H353-G380 WeakPolarHBondContact CE1-CA 3.16Å
354	T	96.7	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.			trans	-102.1	94.9	175.1	45.8	0	0	0	0	110.3	A323 F329 L351 S352 A356 L357 K381	A323-T354 WeakPolarHBondContact O-CG2 3.26Å; F329-T354 HydrophobicContact CB-CG2 4.32Å; L351-T354 PolarHBondContact O-OG1 3.44Å; S352-T354 PolarHBondContact O-N 3.46Å; T354-A356 VanDerWaalsContact C-N 3.29Å; T354-A356 PolarHBondContact O-N 3.28Å; T354-L357 PolarHBondContact O-N 3.46Å; T354-L357 WeakPolarHBondContact OG1-CD1 3.38Å; T354-K381 PolarHBondContact O-NZ 2.79Å; T354-K381 VanDerWaalsContact OG1-CE 3.25Å; T354-K381 WeakPolarHBondContact OG1-CE 3.44Å; T354-K381 PolarHBondContact OG1-NZ 3.12Å
355	P	93.2	Very high	97.4	Very high	98 Å²	98	35.3 Å²	35.3	64%	0.636	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.3	-172.4	25.6	-35.6	0	0	0	114.1	D327 H353 L357	D327-P355 HydrophobicContact CB-CG 4.46Å; D327-P355 WeakPolarHBondContact OD1-CD 3.03Å; D327-P355 WeakPolarHBondContact OD1-CG 3.46Å; H353-P355 WeakPolarHBondContact O-CD 3.31Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 2.64Å
356	A	96	Very high	97.5	Very high	34 Å²	34	30.6 Å²	30.6	28%	0.281	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.3	-179.1	0	0	0	0	0	114.9	D327 T330 D331 T354	D327-A356 VanDerWaalsContact O-CB 3.28Å; D327-A356 WeakPolarHBondContact O-CB 3.33Å; T330-A356 HydrophobicContact CG2-CB 4.08Å; D331-A356 PolarHBondContact N-O 2.69Å; T354-A356 VanDerWaalsContact C-N 3.29Å; T354-A356 PolarHBondContact O-N 3.28Å
357	L	96.2	Very high	97.4	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	19%	0.19	C	C	.	.			trans	-102.1	125	175.4	-74.8	176.7	0	0	0	111.6	F329 T330 L334 L351 T354 P355 I362	F329-L357 HydrophobicContact CD1-CD1 3.75Å; F329-L357 HydrophobicContact CD1-CD2 4.11Å; F329-L357 HydrophobicContact CD1-CG 4.12Å; F329-L357 HydrophobicContact CE1-CD1 4.17Å; F329-L357 HydrophobicContact CE1-CD2 4.45Å; F329-L357 WeakPolarHBondContact O-CG 3.33Å; T330-L357 VanDerWaalsContact C-CD2 3.43Å; T330-L357 WeakPolarHBondContact O-CD2 3.27Å; L334-L357 HydrophobicContact CB-CD2 3.8Å; L334-L357 HydrophobicContact CD2-CD1 4.47Å; L334-L357 HydrophobicContact CD2-CD2 3.86Å; L334-L357 HydrophobicContact CG-CD2 4.46Å; L351-L357 HydrophobicContact CB-CD1 4.05Å; L351-L357 HydrophobicContact CD1-CD1 3.92Å; L351-L357 HydrophobicContact CD2-CD1 4.1Å; L351-L357 HydrophobicContact CG-CD1 4.24Å; T354-L357 PolarHBondContact O-N 3.46Å; T354-L357 WeakPolarHBondContact OG1-CD1 3.38Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 2.64Å; L357-I362 HydrophobicContact CB-CD1 4.17Å; L357-I362 HydrophobicContact CB-CG1 4.47Å
358	N	95.5	Very high	97.4	Very high	68 Å²	68	37.5 Å²	37.5	36%	0.364	20%	0.198	S	C	.	.			trans	-92.4	168.2	177.7	76.4	48.4	0	0	0	113.2	D331 Q360 S361 I362	D331-N358 VanDerWaalsContact CG-CG 3.46Å; D331-N358 PolarHBondContact OD1-N 2.74Å; D331-N358 PolarHBondContact OD1-ND2 2.83Å; D331-N358 VanDerWaalsContact OD1-ND2 3.15Å; D331-N358 PolarHBondContact OD1-OD1 3.18Å; D331-N358 VanDerWaalsContact OD2-CG 3.29Å; D331-N358 PolarHBondContact OD2-N 3.05Å; D331-N358 PolarHBondContact OD2-ND2 3.33Å; N358-Q360 VanDerWaalsContact C-N 3.31Å; N358-Q360 PolarHBondContact O-N 2.92Å; N358-Q360 WeakPolarHBondContact OD1-CA 3.3Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.27Å; N358-Q360 PolarHBondContact OD1-N 3.45Å; N358-S361 PolarHBondContact OD1-N 3.39Å; N358-S361 PolarHBondContact OD1-OG 2.92Å; N358-I362 WeakPolarHBondContact O-CG1 3.43Å; N358-I362 PolarHBondContact O-N 2.99Å
359	E	95.7	Very high	97.4	Very high	70 Å²	70	38.4 Å²	38.4	33%	0.327	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-36.4	-178.4	-173	179.7	149.6	0	0	113.1	T363 L384 F388	E359-T363 VanDerWaalsContact O-CB 3.31Å; E359-T363 WeakPolarHBondContact O-CB 3.37Å; E359-T363 PolarHBondContact O-N 3.01Å; E359-T363 PolarHBondContact O-OG1 2.93Å; E359-L384 HydrophobicContact CB-CD2 4.02Å; E359-L384 HydrophobicContact CG-CD2 3.93Å; E359-F388 HydrophobicContact CG-CB 4.3Å; E359-F388 HydrophobicContact CG-CD2 3.43Å; E359-F388 VanDerWaalsContact CG-CD2 3.43Å; E359-F388 HydrophobicContact CG-CE2 4.1Å; E359-F388 HydrophobicContact CG-CG 4.15Å
360	Q	97.6	Very high	97.3	Very high	117 Å²	117	38.4 Å²	38.4	55%	0.547	20%	0.201	S	C	.	.	H	α-helix	trans	-69.6	-46.6	-173.7	-176	60.8	59.9	0	0	111.9	N358 I362 T363 N364	N358-Q360 VanDerWaalsContact C-N 3.31Å; N358-Q360 PolarHBondContact O-N 2.92Å; N358-Q360 WeakPolarHBondContact OD1-CA 3.3Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.27Å; N358-Q360 PolarHBondContact OD1-N 3.45Å; Q360-I362 VanDerWaalsContact C-N 3.33Å; Q360-I362 PolarHBondContact O-N 3.34Å; Q360-T363 PolarHBondContact O-N 3.41Å; Q360-N364 PolarHBondContact NE2-OD1 3.19Å; Q360-N364 VanDerWaalsContact O-CG 3.24Å; Q360-N364 PolarHBondContact O-N 3.37Å; Q360-N364 PolarHBondContact O-ND2 3.05Å
361	S	98.1	Very high	97.3	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-41.2	179.2	-50.3	0	0	0	0	111.1	D331 N335 N358 N364 L365	D331-S361 WeakPolarHBondContact CB-OG 3.48Å; D331-S361 VanDerWaalsContact CG-OG 3.27Å; D331-S361 WeakPolarHBondContact OD1-CB 3.43Å; D331-S361 PolarHBondContact OD1-OG 2.93Å; N335-S361 PolarHBondContact ND2-OG 3.46Å; N358-S361 PolarHBondContact OD1-N 3.39Å; N358-S361 PolarHBondContact OD1-OG 2.92Å; S361-N364 PolarHBondContact O-N 3.38Å; S361-L365 PolarHBondContact O-N 2.79Å
362	I	98.3	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-43.4	175.8	-61.5	170.8	0	0	0	110.5	L334 L357 N358 Q360 N364 L365 L366 L378 K381 L384 F388	L334-I362 HydrophobicContact CD2-CG1 4.3Å; L357-I362 HydrophobicContact CB-CD1 4.17Å; L357-I362 HydrophobicContact CB-CG1 4.47Å; N358-I362 WeakPolarHBondContact O-CG1 3.43Å; N358-I362 PolarHBondContact O-N 2.99Å; Q360-I362 VanDerWaalsContact C-N 3.33Å; Q360-I362 PolarHBondContact O-N 3.34Å; I362-N364 VanDerWaalsContact C-N 3.29Å; I362-N364 PolarHBondContact O-N 3.46Å; I362-L365 WeakPolarHBondContact O-CB 2.98Å; I362-L365 PolarHBondContact O-N 3.17Å; I362-L366 HydrophobicContact CG2-CD1 4.08Å; I362-L366 HydrophobicContact CG2-CG 4.31Å; I362-L366 WeakPolarHBondContact O-CG 3.14Å; I362-L366 PolarHBondContact O-N 3Å; I362-L378 HydrophobicContact CD1-CD2 4.36Å; I362-L378 HydrophobicContact CG2-CD1 3.68Å; I362-L378 HydrophobicContact CG2-CD2 4.14Å; I362-K381 HydrophobicContact CD1-CD 3.97Å; I362-L384 HydrophobicContact CD1-CD1 4.03Å; I362-L384 HydrophobicContact CD1-CD2 4.46Å; I362-F388 HydrophobicContact CB-CE2 4.5Å; I362-F388 HydrophobicContact CG2-CE2 4.1Å; I362-F388 HydrophobicContact CG2-CZ 3.68Å
363	T	98.4	Very high	97.3	Very high	23 Å²	23	44.6 Å²	44.6	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-41.8	176.2	-61	0	0	0	0	111.3	E359 Q360 L366 K367 F388 V392	E359-T363 VanDerWaalsContact O-CB 3.31Å; E359-T363 WeakPolarHBondContact O-CB 3.37Å; E359-T363 PolarHBondContact O-N 3.01Å; E359-T363 PolarHBondContact O-OG1 2.93Å; Q360-T363 PolarHBondContact O-N 3.41Å; T363-L366 PolarHBondContact O-N 3.31Å; T363-K367 VanDerWaalsContact O-CB 3.27Å; T363-K367 WeakPolarHBondContact O-CB 3.03Å; T363-K367 PolarHBondContact O-N 3.47Å; T363-F388 WeakPolarHBondContact OG1-CE2 3.35Å; T363-V392 HydrophobicContact CG2-CG1 4.26Å
364	N	98	Very high	97.5	Very high	61 Å²	61	44.2 Å²	44.2	33%	0.326	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-47.8	176.9	-69.3	-15.8	0	0	0	111.7	Q360 S361 I362 L366 K367 L368	Q360-N364 PolarHBondContact NE2-OD1 3.19Å; Q360-N364 VanDerWaalsContact O-CG 3.24Å; Q360-N364 PolarHBondContact O-N 3.37Å; Q360-N364 PolarHBondContact O-ND2 3.05Å; S361-N364 PolarHBondContact O-N 3.38Å; I362-N364 VanDerWaalsContact C-N 3.29Å; I362-N364 PolarHBondContact O-N 3.46Å; N364-L366 VanDerWaalsContact C-N 3.35Å; N364-L366 PolarHBondContact O-N 3.05Å; N364-K367 PolarHBondContact O-N 3.46Å; N364-L368 WeakPolarHBondContact O-CB 3.28Å; N364-L368 WeakPolarHBondContact O-CG 3.2Å; N364-L368 PolarHBondContact O-N 3.09Å
365	L	98.5	Very high	97.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-52.9	-51.8	173.9	170.5	75.2	0	0	0	111.1	L334 F343 I349 L351 S361 I362 L368 H369	L334-L365 HydrophobicContact CD1-CD1 4.3Å; L334-L365 HydrophobicContact CD1-CD2 4.07Å; L334-L365 HydrophobicContact CD2-CB 4.42Å; L334-L365 HydrophobicContact CD2-CD2 4.39Å; F343-L365 HydrophobicContact CD2-CD1 3.65Å; F343-L365 HydrophobicContact CE2-CD1 3.96Å; F343-L365 HydrophobicContact CG-CD1 4.2Å; I349-L365 HydrophobicContact CD1-CD1 4.07Å; I349-L365 HydrophobicContact CD1-CD2 3.94Å; I349-L365 HydrophobicContact CD1-CG 4.41Å; L351-L365 HydrophobicContact CD1-CD2 4.21Å; S361-L365 PolarHBondContact O-N 2.79Å; I362-L365 WeakPolarHBondContact O-CB 2.98Å; I362-L365 PolarHBondContact O-N 3.17Å; L365-L368 PolarHBondContact O-N 2.74Å; L365-H369 PolarHBondContact O-N 3.03Å
366	L	98.7	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-33.5	-175.9	-63.8	-177.1	0	0	0	112.4	I362 T363 N364 L368 G370 L373 L376 L378 F388 V392 Y395 L396	I362-L366 HydrophobicContact CG2-CD1 4.08Å; I362-L366 HydrophobicContact CG2-CG 4.31Å; I362-L366 WeakPolarHBondContact O-CG 3.14Å; I362-L366 PolarHBondContact O-N 3Å; T363-L366 PolarHBondContact O-N 3.31Å; N364-L366 VanDerWaalsContact C-N 3.35Å; N364-L366 PolarHBondContact O-N 3.05Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-G370 WeakPolarHBondContact O-CA 3.49Å; L366-G370 PolarHBondContact O-N 2.95Å; L366-L373 HydrophobicContact CD2-CD1 3.78Å; L366-L376 HydrophobicContact CD1-CD2 4.02Å; L366-L376 HydrophobicContact CD2-CD1 4.01Å; L366-L376 HydrophobicContact CD2-CD2 3.71Å; L366-L378 HydrophobicContact CD1-CD1 4.06Å; L366-F388 HydrophobicContact CD1-CZ 4.06Å; L366-V392 HydrophobicContact CB-CB 4.38Å; L366-V392 HydrophobicContact CD1-CB 3.76Å; L366-V392 HydrophobicContact CD1-CG1 4.09Å; L366-V392 HydrophobicContact CD1-CG2 3.75Å; L366-Y395 WeakPolarHBondContact O-CB 3.42Å; L366-L396 HydrophobicContact CD2-CD2 4.21Å
367	K	98	Very high	98	Very high	129 Å²	129	38.5 Å²	38.5	56%	0.561	19%	0.187	S	C	*	.	H	α-helix	trans	-64.9	-39.4	173.4	-175.3	176.5	178.9	-177.9	0	111.8	T363 N364 Y395	T363-K367 VanDerWaalsContact O-CB 3.27Å; T363-K367 WeakPolarHBondContact O-CB 3.03Å; T363-K367 PolarHBondContact O-N 3.47Å; N364-K367 PolarHBondContact O-N 3.46Å; K367-Y395 HydrophobicContact CB-CD2 4.44Å; K367-Y395 HydrophobicContact CB-CE2 4.22Å; K367-Y395 HydrophobicContact CG-CE1 4.23Å; K367-Y395 HydrophobicContact CG-CE2 4.31Å
368	L	97.8	Very high	98.1	Very high	96 Å²	96	38.2 Å²	38.2	50%	0.503	19%	0.185	S	C	.	.	H	α-helix	trans	-78	-44.8	-179.4	-69.8	171.6	0	0	0	112.6	N364 L365 L366 H371	N364-L368 WeakPolarHBondContact O-CB 3.28Å; N364-L368 WeakPolarHBondContact O-CG 3.2Å; N364-L368 PolarHBondContact O-N 3.09Å; L365-L368 PolarHBondContact O-N 2.74Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L368-H371 PolarHBondContact O-CE1 3.15Å; L368-H371 PolarHBondContact O-ND1 3.05Å
369	H	98.4	Very high	98.1	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	-120.6	-4	-168	-61.6	-67.2	0	0	0	114.6	F343 V346 L365 H371 Q372	F343-H369 PolarHBondContact O-ND1 3.08Å; V346-H369 HydrophobicContact CG1-CB 4.27Å; L365-H369 PolarHBondContact O-N 3.03Å; H369-H371 PolarHBondContact O-N 3.08Å; H369-Q372 WeakPolarHBondContact O-CG 3.35Å; H369-Q372 PolarHBondContact O-N 3.06Å
370	G	98.4	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.5	-176.9	0	0	0	0	0	113.9	L366 Q372 L373 Y395	L366-G370 WeakPolarHBondContact O-CA 3.49Å; L366-G370 PolarHBondContact O-N 2.95Å; G370-Q372 PolarHBondContact O-N 2.94Å; G370-Q372 VanDerWaalsContact O-N 3.1Å; G370-L373 PolarHBondContact O-N 3.33Å; G370-L373 VanDerWaalsContact O-N 3.14Å; G370-Y395 CarbonylContact C-O 2.89Å
371	H	98	Very high	97.7	Very high	118 Å²	118	28.5 Å²	28.5	55%	0.546	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-64.2	-19.5	-175.8	66.1	-87	0	0	0	113.7	L368 H369 Y395 A398	L368-H371 PolarHBondContact O-CE1 3.15Å; L368-H371 PolarHBondContact O-ND1 3.05Å; H369-H371 PolarHBondContact O-N 3.08Å; H371-Y395 WeakPolarHBondContact CA-O 3.28Å; H371-Y395 PolarHBondContact N-O 3.21Å; H371-A398 VanDerWaalsContact O-CB 3.32Å; H371-A398 WeakPolarHBondContact O-CB 3.42Å
372	Q	98	Very high	97	Very high	31 Å²	31	30.3 Å²	30.3	15%	0.145	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-108.2	-5.7	179.7	59	174.9	77.9	0	0	114.1	F343 K344 V346 K347 H369 G370	F343-Q372 PolarHBondContact O-NE2 2.95Å; K344-Q372 PolarHBondContact O-NE2 2.73Å; K344-Q372 PolarHBondContact O-OE1 2.91Å; V346-Q372 VanDerWaalsContact N-NE2 3.17Å; V346-Q372 PolarHBondContact O-NE2 2.84Å; K347-Q372 WeakPolarHBondContact CD-O 3.45Å; H369-Q372 WeakPolarHBondContact O-CG 3.35Å; H369-Q372 PolarHBondContact O-N 3.06Å; G370-Q372 PolarHBondContact O-N 2.94Å; G370-Q372 VanDerWaalsContact O-N 3.1Å
373	L	98.8	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.			trans	-73.2	132.2	179.7	-74.5	177.7	0	0	0	111	V346 I349 L366 G370 L376 A398 I399	V346-L373 HydrophobicContact CG1-CD2 3.8Å; V346-L373 HydrophobicContact CG2-CD2 4.34Å; I349-L373 HydrophobicContact CD1-CD2 4.09Å; I349-L373 HydrophobicContact CG1-CD2 4.01Å; L366-L373 HydrophobicContact CD2-CD1 3.78Å; G370-L373 PolarHBondContact O-N 3.33Å; G370-L373 VanDerWaalsContact O-N 3.14Å; L373-L376 HydrophobicContact CD1-CD1 4.31Å; L373-A398 CarbonylContact O-C 3.58Å; L373-A398 WeakPolarHBondContact O-CB 3.38Å; L373-I399 HydrophobicContact CB-CD1 4.35Å; L373-I399 WeakPolarHBondContact O-CA 3.37Å; L373-I399 PolarHBondContact O-N 3.5Å
374	H	98.9	Very high	96.2	Very high	52 Å²	52	33.5 Å²	33.5	24%	0.241	18%	0.179	C	C	.	.	S	Bend	trans	-100.5	-25.4	168.8	-60.5	129.7	0	0	0	112.1	K347 A398 K400 V401 L506	K347-H374 WeakPolarHBondContact O-CA 3.09Å; K347-H374 PolarHBondContact O-N 3.21Å; H374-A398 PolarHBondContact CD2-O 3.34Å; H374-K400 HydrophobicContact CB-CD 4.31Å; H374-K400 HydrophobicContact CB-CG 4.37Å; H374-K400 WeakPolarHBondContact O-CA 3.47Å; H374-K400 WeakPolarHBondContact O-CB 3.32Å; H374-K400 PolarHBondContact O-N 3.1Å; H374-V401 PolarHBondContact O-N 3.38Å; H374-L506 HydrophobicContact CB-CD1 4Å; H374-L506 HydrophobicContact CB-CD2 4.09Å
375	G	98.9	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.5	179.9	0	0	0	0	0	112	K347 A348 I349 V401	K347-G375 PolarHBondContact O-N 3.19Å; A348-G375 WeakPolarHBondContact CA-O 3.46Å; I349-G375 PolarHBondContact N-O 3.33Å; I349-G375 VanDerWaalsContact N-O 3.08Å; G375-V401 CarbonylContact C-O 3.19Å; G375-V401 WeakPolarHBondContact CA-O 3.27Å
376	L	98.9	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	120.4	176.6	-178.1	63.2	0	0	0	111.1	I349 L366 L373 L378 W389 L396 I399 V401 C402 V403	I349-L376 HydrophobicContact CB-CD1 4.42Å; I349-L376 CarbonylContact O-C 3.57Å; I349-L376 WeakPolarHBondContact O-CA 3.38Å; L366-L376 HydrophobicContact CD1-CD2 4.02Å; L366-L376 HydrophobicContact CD2-CD1 4.01Å; L366-L376 HydrophobicContact CD2-CD2 3.71Å; L373-L376 HydrophobicContact CD1-CD1 4.31Å; L376-L378 HydrophobicContact CD1-CD1 3.91Å; L376-L378 HydrophobicContact CD1-CD2 4.3Å; L376-L378 HydrophobicContact CD1-CG 3.78Å; L376-L378 HydrophobicContact CD2-CD1 3.86Å; L376-L378 HydrophobicContact CD2-CG 4.4Å; L376-L378 HydrophobicContact CG-CD1 3.98Å; L376-L378 HydrophobicContact CG-CG 3.97Å; L376-W389 HydrophobicContact CD2-CZ3 4.46Å; L376-L396 HydrophobicContact CD2-CD1 3.85Å; L376-L396 HydrophobicContact CD2-CD2 4.06Å; L376-I399 HydrophobicContact CB-CD1 3.75Å; L376-V401 PolarHBondContact N-O 2.67Å; L376-C402 VanDerWaalsContact O-CA 3.28Å; L376-C402 WeakPolarHBondContact O-CA 2.89Å; L376-V403 PolarHBondContact O-N 3.16Å
377	M	98.7	Very high	95.2	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.054	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.9	173.4	-64.4	176.7	56.4	0	0	109.2	I349 D350 L351 S352 H379 V403 I503	I349-M377 PolarHBondContact O-N 2.98Å; D350-M377 HydrophobicContact CB-CB 3.96Å; D350-M377 HydrophobicContact CB-SD 4.41Å; D350-M377 VanDerWaalsContact OD1-CB 3.29Å; D350-M377 WeakPolarHBondContact OD1-CB 3.26Å; D350-M377 WeakPolarHBondContact OD2-CE 3.38Å; L351-M377 PolarHBondContact N-O 3.05Å; S352-M377 PolarHBondContact N-O 3.19Å; M377-H379 VanDerWaalsContact CE-CE1 3.5Å; M377-H379 WeakPolarHBondContact CE-CE1 3.16Å; M377-V403 HydrophobicContact CB-CB 4.3Å; M377-V403 HydrophobicContact CE-CG2 4.32Å; M377-V403 HydrophobicContact CG-CB 3.86Å; M377-V403 HydrophobicContact CG-CG2 3.7Å; M377-V403 HydrophobicContact SD-CG2 4.25Å; M377-I503 HydrophobicContact CG-CG2 3.78Å; M377-I503 HydrophobicContact SD-CB 4.18Å; M377-I503 HydrophobicContact SD-CG1 3.78Å; M377-I503 HydrophobicContact SD-CG2 3.81Å; M377-I503 PolarHBondContact SD-N 3.41Å
378	L	98.2	Very high	95.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.187	C	C	.	.			trans	-134.5	22.3	-179.6	-67.5	176.2	0	0	0	111.7	L351 I362 L366 L376 L384 F388 W389 V403	L351-L378 HydrophobicContact CB-CD2 3.95Å; I362-L378 HydrophobicContact CD1-CD2 4.36Å; I362-L378 HydrophobicContact CG2-CD1 3.68Å; I362-L378 HydrophobicContact CG2-CD2 4.14Å; L366-L378 HydrophobicContact CD1-CD1 4.06Å; L376-L378 HydrophobicContact CD1-CD1 3.91Å; L376-L378 HydrophobicContact CD1-CD2 4.3Å; L376-L378 HydrophobicContact CD1-CG 3.78Å; L376-L378 HydrophobicContact CD2-CD1 3.86Å; L376-L378 HydrophobicContact CD2-CG 4.4Å; L376-L378 HydrophobicContact CG-CD1 3.98Å; L376-L378 HydrophobicContact CG-CG 3.97Å; L378-L384 HydrophobicContact CB-CD1 4.06Å; L378-L384 HydrophobicContact CD1-CD1 4.37Å; L378-F388 HydrophobicContact CD1-CE1 4.32Å; L378-F388 HydrophobicContact CD1-CZ 4.2Å; L378-W389 HydrophobicContact CB-CH2 3.85Å; L378-W389 HydrophobicContact CB-CZ2 3.83Å; L378-W389 HydrophobicContact CD1-CH2 3.9Å; L378-W389 HydrophobicContact CD1-CZ2 4.31Å; L378-W389 HydrophobicContact CG-CH2 4.36Å; L378-V403 PolarHBondContact N-O 3.01Å
379	H	95.9	Very high	95.1	Very high	16 Å²	16	31 Å²	31	7%	0.074	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	167.4	177.6	67.9	-82.8	0	0	0	111.8	S352 H353 M377 K381 V403 G405 Q440	S352-H379 CarbonylContact C-O 3.48Å; S352-H379 VanDerWaalsContact CA-O 3.27Å; S352-H379 WeakPolarHBondContact CA-O 3.33Å; S352-H379 WeakPolarHBondContact CB-CE1 3.47Å; S352-H379 WeakPolarHBondContact CB-ND1 3.36Å; H353-H379 AromaticContact CD2-CD2 3.63Å; H353-H379 AromaticContact CD2-NE2 3.61Å; H353-H379 PolarHBondContact N-O 3.33Å; H353-H379 AromaticContact NE2-CD2 3.23Å; H353-H379 PolarHBondContact NE2-CD2 3.24Å; H353-H379 AromaticContact NE2-NE2 3.51Å; M377-H379 VanDerWaalsContact CE-CE1 3.5Å; M377-H379 WeakPolarHBondContact CE-CE1 3.16Å; H379-K381 VanDerWaalsContact C-N 3.27Å; H379-K381 PolarHBondContact O-N 3.25Å; H379-V403 HydrophobicContact CB-CG1 3.92Å; H379-V403 VanDerWaalsContact ND1-CG1 3.29Å; H379-V403 WeakPolarHBondContact ND1-CG1 3.18Å; H379-G405 CarbonylContact C-O 3.56Å; H379-G405 WeakPolarHBondContact CA-O 3.46Å; H379-G405 VanDerWaalsContact CB-O 3.22Å; H379-G405 WeakPolarHBondContact CB-O 3.06Å; H379-Q440 HydrophobicContact CB-CG 4.49Å; H379-Q440 PolarHBondContact CD2-NE2 2.85Å; H379-Q440 VanDerWaalsContact CD2-NE2 3.35Å; H379-Q440 PolarHBondContact CD2-OE1 3.34Å
380	G	93.2	Very high	95.1	Very high	26 Å²	26	31.9 Å²	31.9	27%	0.268	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	10.5	-177.3	0	0	0	0	0	114.5	H353 G405	H353-G380 VanDerWaalsContact CE1-CA 3.48Å; H353-G380 WeakPolarHBondContact CE1-CA 3.16Å; G380-G405 PolarHBondContact N-O 3.39Å
381	K	91.3	Very high	95.1	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.043	19%	0.186	C	C	.	.			trans	-111.2	105.4	-179.4	-66	176.6	173.5	-72.5	0	111.7	L351 T354 I362 H379 T383 L384	L351-K381 WeakPolarHBondContact O-CE 3.47Å; T354-K381 PolarHBondContact O-NZ 2.79Å; T354-K381 VanDerWaalsContact OG1-CE 3.25Å; T354-K381 WeakPolarHBondContact OG1-CE 3.44Å; T354-K381 PolarHBondContact OG1-NZ 3.12Å; I362-K381 HydrophobicContact CD1-CD 3.97Å; H379-K381 VanDerWaalsContact C-N 3.27Å; H379-K381 PolarHBondContact O-N 3.25Å; K381-T383 PolarHBondContact O-N 3.03Å; K381-L384 HydrophobicContact CB-CB 4.26Å; K381-L384 HydrophobicContact CB-CD1 3.87Å; K381-L384 HydrophobicContact CB-CG 3.77Å; K381-L384 HydrophobicContact CD-CD1 3.4Å; K381-L384 HydrophobicContact CD-CG 4.07Å; K381-L384 HydrophobicContact CG-CD1 4.29Å; K381-L384 PolarHBondContact O-N 2.77Å
382	A	84.3	Confident	95.1	Very high	42 Å²	42	28.8 Å²	28.8	35%	0.347	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.9	-173.5	0	0	0	0	0	114.1	L384 H408 Y414	A382-L384 VanDerWaalsContact C-N 3.34Å; A382-H408 VanDerWaalsContact CB-NE2 3.35Å; A382-H408 WeakPolarHBondContact CB-NE2 3.34Å; A382-Y414 VanDerWaalsContact C-OH 3.27Å; A382-Y414 WeakPolarHBondContact CA-OH 3.1Å; A382-Y414 WeakPolarHBondContact O-CE1 3.49Å; A382-Y414 PolarHBondContact O-OH 3.37Å
383	T	87.2	Confident	95.1	Very high	88 Å²	88	27.3 Å²	27.3	54%	0.54	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.6	-178.9	50.1	0	0	0	0	113.2	K381 A385	K381-T383 PolarHBondContact O-N 3.03Å; T383-A385 VanDerWaalsContact C-N 3.3Å; T383-A385 PolarHBondContact O-N 2.97Å
384	L	92.7	Very high	95.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.169	C	C	.	.			trans	-84	71.4	-176.6	-57.4	-169.5	0	0	0	111.6	E359 I362 L378 K381 A382 F388 W389	E359-L384 HydrophobicContact CB-CD2 4.02Å; E359-L384 HydrophobicContact CG-CD2 3.93Å; I362-L384 HydrophobicContact CD1-CD1 4.03Å; I362-L384 HydrophobicContact CD1-CD2 4.46Å; L378-L384 HydrophobicContact CB-CD1 4.06Å; L378-L384 HydrophobicContact CD1-CD1 4.37Å; K381-L384 HydrophobicContact CB-CB 4.26Å; K381-L384 HydrophobicContact CB-CD1 3.87Å; K381-L384 HydrophobicContact CB-CG 3.77Å; K381-L384 HydrophobicContact CD-CD1 3.4Å; K381-L384 HydrophobicContact CD-CG 4.07Å; K381-L384 HydrophobicContact CG-CD1 4.29Å; K381-L384 PolarHBondContact O-N 2.77Å; A382-L384 VanDerWaalsContact C-N 3.34Å; L384-F388 HydrophobicContact CB-CD1 3.72Å; L384-F388 HydrophobicContact CB-CE1 4.07Å; L384-F388 HydrophobicContact CB-CG 4.31Å; L384-F388 HydrophobicContact CD1-CD1 4.24Å; L384-F388 HydrophobicContact CD1-CE1 3.74Å; L384-F388 HydrophobicContact CD1-CZ 4.05Å; L384-F388 HydrophobicContact CD2-CD1 3.87Å; L384-F388 HydrophobicContact CD2-CD2 3.91Å; L384-F388 HydrophobicContact CD2-CE1 3.96Å; L384-F388 HydrophobicContact CD2-CE2 3.95Å; L384-F388 HydrophobicContact CD2-CG 3.84Å; L384-F388 HydrophobicContact CD2-CZ 3.98Å; L384-F388 HydrophobicContact CG-CD1 4.14Å; L384-F388 HydrophobicContact CG-CE1 4.14Å; L384-W389 PolarHBondContact O-NE1 2.88Å; L384-W389 VanDerWaalsContact O-NE1 3.12Å
385	A	90.1	Very high	95.1	Very high	31 Å²	31	31.5 Å²	31.5	26%	0.256	17%	0.174	S	C	.	.			trans	-86.3	-167.9	-179.2	0	0	0	0	0	113	T383 Y387 F388 W389 V418	T383-A385 VanDerWaalsContact C-N 3.3Å; T383-A385 PolarHBondContact O-N 2.97Å; A385-Y387 VanDerWaalsContact C-N 3.33Å; A385-Y387 PolarHBondContact O-N 2.92Å; A385-F388 PolarHBondContact O-N 3.4Å; A385-W389 VanDerWaalsContact O-CD1 3.29Å; A385-W389 PolarHBondContact O-N 2.96Å; A385-V418 HydrophobicContact CB-CG2 4.49Å
386	E	91.3	Very high	95.1	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-50.1	-48	-174.2	-171.5	-169	143.5	0	0	114	F388 W389 T390 V418 H419 K422 I423	E386-F388 PolarHBondContact O-N 2.93Å; E386-W389 PolarHBondContact O-N 2.93Å; E386-T390 HydrophobicContact CG-CG2 4.4Å; E386-T390 WeakPolarHBondContact O-CG2 3.5Å; E386-T390 PolarHBondContact O-N 3.47Å; E386-T390 PolarHBondContact O-OG1 2.93Å; E386-V418 HydrophobicContact CB-CG1 4.09Å; E386-H419 WeakPolarHBondContact OE2-CA 3.37Å; E386-H419 WeakPolarHBondContact OE2-CB 3.35Å; E386-H419 IonicContact OE2-CD2 3.52Å; E386-H419 PolarHBondContact OE2-CD2 2.92Å; E386-H419 VanDerWaalsContact OE2-CD2 3.24Å; E386-H419 IonicContact OE2-CG 3.03Å; E386-H419 PolarHBondContact OE2-N 3.4Å; E386-K422 HydrophobicContact CG-CB 4.46Å; E386-K422 WeakPolarHBondContact OE1-CD 3.28Å; E386-K422 WeakPolarHBondContact OE1-CE 3.44Å; E386-K422 WeakPolarHBondContact OE1-CG 3.2Å; E386-K422 IonicContact OE1-NZ 2.65Å; E386-K422 PolarHBondContact OE1-NZ 3.46Å; E386-I423 HydrophobicContact CG-CD1 4.18Å; E386-I423 HydrophobicContact CG-CG1 4.42Å
387	Y	93.4	Very high	95.1	Very high	177 Å²	177	33 Å²	33	69%	0.694	19%	0.19	S	C	*	.	H	α-helix	trans	-62	-47.5	-173.9	178.9	-100.4	0	0	0	112	A385 W389 T390 T391	A385-Y387 VanDerWaalsContact C-N 3.33Å; A385-Y387 PolarHBondContact O-N 2.92Å; Y387-W389 PolarHBondContact O-N 3Å; Y387-T390 PolarHBondContact O-N 3.48Å; Y387-T390 PolarHBondContact O-OG1 3.01Å; Y387-T391 WeakPolarHBondContact O-CB 3.35Å; Y387-T391 PolarHBondContact O-N 3.22Å; Y387-T391 PolarHBondContact O-OG1 3.23Å
388	F	96.1	Very high	95.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-52.3	-55.7	174.6	166.3	-99.5	0	0	0	110.8	E359 I362 T363 L366 L378 L384 A385 E386 T390 T391 V392	E359-F388 HydrophobicContact CG-CB 4.3Å; E359-F388 HydrophobicContact CG-CD2 3.43Å; E359-F388 VanDerWaalsContact CG-CD2 3.43Å; E359-F388 HydrophobicContact CG-CE2 4.1Å; E359-F388 HydrophobicContact CG-CG 4.15Å; I362-F388 HydrophobicContact CB-CE2 4.5Å; I362-F388 HydrophobicContact CG2-CE2 4.1Å; I362-F388 HydrophobicContact CG2-CZ 3.68Å; T363-F388 WeakPolarHBondContact OG1-CE2 3.35Å; L366-F388 HydrophobicContact CD1-CZ 4.06Å; L378-F388 HydrophobicContact CD1-CE1 4.32Å; L378-F388 HydrophobicContact CD1-CZ 4.2Å; L384-F388 HydrophobicContact CB-CD1 3.72Å; L384-F388 HydrophobicContact CB-CE1 4.07Å; L384-F388 HydrophobicContact CB-CG 4.31Å; L384-F388 HydrophobicContact CD1-CD1 4.24Å; L384-F388 HydrophobicContact CD1-CE1 3.74Å; L384-F388 HydrophobicContact CD1-CZ 4.05Å; L384-F388 HydrophobicContact CD2-CD1 3.87Å; L384-F388 HydrophobicContact CD2-CD2 3.91Å; L384-F388 HydrophobicContact CD2-CE1 3.96Å; L384-F388 HydrophobicContact CD2-CE2 3.95Å; L384-F388 HydrophobicContact CD2-CG 3.84Å; L384-F388 HydrophobicContact CD2-CZ 3.98Å; L384-F388 HydrophobicContact CG-CD1 4.14Å; L384-F388 HydrophobicContact CG-CE1 4.14Å; A385-F388 PolarHBondContact O-N 3.4Å; E386-F388 PolarHBondContact O-N 2.93Å; F388-T390 PolarHBondContact O-N 2.94Å; F388-T391 WeakPolarHBondContact O-CA 3.33Å; F388-T391 VanDerWaalsContact O-CB 3.32Å; F388-T391 WeakPolarHBondContact O-CB 3.36Å; F388-T391 PolarHBondContact O-N 3.21Å; F388-V392 HydrophobicContact CD1-CG2 4.32Å; F388-V392 HydrophobicContact CD2-CG1 4.05Å; F388-V392 HydrophobicContact CE1-CG2 3.85Å; F388-V392 HydrophobicContact CE2-CG1 3.67Å; F388-V392 HydrophobicContact CE2-CG2 4.32Å; F388-V392 HydrophobicContact CZ-CG1 4.01Å; F388-V392 HydrophobicContact CZ-CG2 3.86Å; F388-V392 WeakPolarHBondContact O-CG2 3.41Å; F388-V392 PolarHBondContact O-N 3.42Å
389	W	97.5	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-45	-176.8	-77.5	105.8	0	0	0	112.5	L376 L378 L384 A385 E386 Y387 T391 V392 I393 L404 I423 W441	L376-W389 HydrophobicContact CD2-CZ3 4.46Å; L378-W389 HydrophobicContact CB-CH2 3.85Å; L378-W389 HydrophobicContact CB-CZ2 3.83Å; L378-W389 HydrophobicContact CD1-CH2 3.9Å; L378-W389 HydrophobicContact CD1-CZ2 4.31Å; L378-W389 HydrophobicContact CG-CH2 4.36Å; L384-W389 PolarHBondContact O-NE1 2.88Å; L384-W389 VanDerWaalsContact O-NE1 3.12Å; A385-W389 VanDerWaalsContact O-CD1 3.29Å; A385-W389 PolarHBondContact O-N 2.96Å; E386-W389 PolarHBondContact O-N 2.93Å; Y387-W389 PolarHBondContact O-N 3Å; W389-T391 PolarHBondContact O-N 2.92Å; W389-V392 HydrophobicContact CE3-CG2 4.23Å; W389-V392 PolarHBondContact O-N 3.48Å; W389-I393 HydrophobicContact CB-CD1 4.17Å; W389-I393 HydrophobicContact CE3-CD1 4.48Å; W389-I393 HydrophobicContact CE3-CG1 4.26Å; W389-I393 WeakPolarHBondContact O-CB 3.3Å; W389-I393 VanDerWaalsContact O-CD1 3.3Å; W389-I393 WeakPolarHBondContact O-CD1 3.43Å; W389-I393 WeakPolarHBondContact O-CG1 3.5Å; W389-I393 PolarHBondContact O-N 2.93Å; W389-L404 HydrophobicContact CD2-CB 4.06Å; W389-L404 HydrophobicContact CD2-CD1 3.67Å; W389-L404 HydrophobicContact CD2-CG 4.49Å; W389-L404 VanDerWaalsContact CE2-CB 3.41Å; W389-L404 HydrophobicContact CE3-CB 4.34Å; W389-L404 HydrophobicContact CE3-CD1 4.04Å; W389-L404 HydrophobicContact CG-CD1 3.96Å; W389-L404 HydrophobicContact CH2-CB 3.45Å; W389-L404 VanDerWaalsContact CH2-CB 3.45Å; W389-L404 HydrophobicContact CZ2-CB 3.11Å; W389-L404 HydrophobicContact CZ2-CD1 4.33Å; W389-L404 HydrophobicContact CZ2-CG 4.31Å; W389-L404 HydrophobicContact CZ3-CB 4.05Å; W389-L404 HydrophobicContact CZ3-CD1 4.49Å; W389-I423 HydrophobicContact CB-CD1 3.37Å; W389-I423 HydrophobicContact CG-CD1 4.27Å; W389-W441 AromaticContact CD1-CH2 3.64Å; W389-W441 AromaticContact CD1-CZ2 3.9Å; W389-W441 HydrophobicContact CG-CH2 4.43Å
390	T	97.5	Very high	95.2	Very high	40 Å²	40	35.6 Å²	35.6	25%	0.245	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-26.4	176.3	56.5	0	0	0	0	113.2	E386 Y387 F388 P394 K422 I423	E386-T390 HydrophobicContact CG-CG2 4.4Å; E386-T390 WeakPolarHBondContact O-CG2 3.5Å; E386-T390 PolarHBondContact O-N 3.47Å; E386-T390 PolarHBondContact O-OG1 2.93Å; Y387-T390 PolarHBondContact O-N 3.48Å; Y387-T390 PolarHBondContact O-OG1 3.01Å; F388-T390 PolarHBondContact O-N 2.94Å; T390-P394 WeakPolarHBondContact O-CD 3.15Å; T390-K422 HydrophobicContact CG2-CB 4.06Å; T390-I423 HydrophobicContact CG2-CD1 4Å
391	T	98.2	Very high	95.5	Very high	53 Å²	53	34.8 Å²	34.8	33%	0.325	19%	0.194	S	C	.	.	H	α-helix	trans	-78.3	-39.8	176.7	-58.7	0	0	0	0	112.2	Y387 F388 W389 P394	Y387-T391 WeakPolarHBondContact O-CB 3.35Å; Y387-T391 PolarHBondContact O-N 3.22Å; Y387-T391 PolarHBondContact O-OG1 3.23Å; F388-T391 WeakPolarHBondContact O-CA 3.33Å; F388-T391 VanDerWaalsContact O-CB 3.32Å; F388-T391 WeakPolarHBondContact O-CB 3.36Å; F388-T391 PolarHBondContact O-N 3.21Å; W389-T391 PolarHBondContact O-N 2.92Å; T391-P394 WeakPolarHBondContact O-CD 3.15Å
392	V	98.5	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-92.6	-27.9	-173	-57.6	0	0	0	0	114.8	T363 L366 F388 W389 P394 Y395	T363-V392 HydrophobicContact CG2-CG1 4.26Å; L366-V392 HydrophobicContact CB-CB 4.38Å; L366-V392 HydrophobicContact CD1-CB 3.76Å; L366-V392 HydrophobicContact CD1-CG1 4.09Å; L366-V392 HydrophobicContact CD1-CG2 3.75Å; F388-V392 HydrophobicContact CD1-CG2 4.32Å; F388-V392 HydrophobicContact CD2-CG1 4.05Å; F388-V392 HydrophobicContact CE1-CG2 3.85Å; F388-V392 HydrophobicContact CE2-CG1 3.67Å; F388-V392 HydrophobicContact CE2-CG2 4.32Å; F388-V392 HydrophobicContact CZ-CG1 4.01Å; F388-V392 HydrophobicContact CZ-CG2 3.86Å; F388-V392 WeakPolarHBondContact O-CG2 3.41Å; F388-V392 PolarHBondContact O-N 3.42Å; W389-V392 HydrophobicContact CE3-CG2 4.23Å; W389-V392 PolarHBondContact O-N 3.48Å; V392-P394 VanDerWaalsContact C-N 3.29Å; V392-Y395 WeakPolarHBondContact O-CB 3.29Å; V392-Y395 PolarHBondContact O-N 2.85Å
393	I	98.7	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-52.4	-38.8	178.2	-74.4	163.6	0	0	0	113.2	W389 Y395 L396 I423 S426 F427 F430	W389-I393 HydrophobicContact CB-CD1 4.17Å; W389-I393 HydrophobicContact CE3-CD1 4.48Å; W389-I393 HydrophobicContact CE3-CG1 4.26Å; W389-I393 WeakPolarHBondContact O-CB 3.3Å; W389-I393 VanDerWaalsContact O-CD1 3.3Å; W389-I393 WeakPolarHBondContact O-CD1 3.43Å; W389-I393 WeakPolarHBondContact O-CG1 3.5Å; W389-I393 PolarHBondContact O-N 2.93Å; I393-Y395 PolarHBondContact O-N 2.8Å; I393-Y395 VanDerWaalsContact O-N 3.07Å; I393-L396 WeakPolarHBondContact O-CB 3.42Å; I393-L396 PolarHBondContact O-N 2.73Å; I393-I423 HydrophobicContact CD1-CG2 4.28Å; I393-S426 WeakPolarHBondContact CB-OG 3.45Å; I393-S426 VanDerWaalsContact CG2-OG 3.23Å; I393-S426 WeakPolarHBondContact CG2-OG 3.47Å; I393-F427 HydrophobicContact CD1-CD2 3.68Å; I393-F427 HydrophobicContact CD1-CE1 4.32Å; I393-F427 HydrophobicContact CD1-CE2 3.44Å; I393-F427 VanDerWaalsContact CD1-CE2 3.44Å; I393-F427 HydrophobicContact CD1-CG 4.21Å; I393-F427 HydrophobicContact CD1-CZ 3.79Å; I393-F427 HydrophobicContact CG1-CD1 4.49Å; I393-F427 HydrophobicContact CG1-CD2 4.46Å; I393-F427 HydrophobicContact CG1-CE1 4.1Å; I393-F427 HydrophobicContact CG1-CE2 4.06Å; I393-F427 HydrophobicContact CG1-CZ 3.86Å; I393-F427 HydrophobicContact CG2-CD1 4.28Å; I393-F427 HydrophobicContact CG2-CG 4.47Å; I393-F430 HydrophobicContact CG2-CB 4.14Å; I393-F430 HydrophobicContact CG2-CD2 4.35Å
394	P	98.7	Very high	97	Very high	51 Å²	51	28.1 Å²	28.1	33%	0.331	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-55.2	-24	173.7	-28.2	35.6	0	0	0	115.2	T390 T391 V392 F430	T390-P394 WeakPolarHBondContact O-CD 3.15Å; T391-P394 WeakPolarHBondContact O-CD 3.15Å; V392-P394 VanDerWaalsContact C-N 3.29Å; P394-F430 HydrophobicContact CB-CD1 4Å; P394-F430 HydrophobicContact CB-CD2 4.31Å; P394-F430 HydrophobicContact CB-CE1 4.02Å; P394-F430 HydrophobicContact CB-CE2 4.35Å; P394-F430 HydrophobicContact CB-CG 4.16Å; P394-F430 HydrophobicContact CB-CZ 4.21Å; P394-F430 HydrophobicContact CG-CD1 4.46Å; P394-F430 HydrophobicContact CG-CD2 3.92Å; P394-F430 HydrophobicContact CG-CE1 4.32Å; P394-F430 HydrophobicContact CG-CE2 3.79Å; P394-F430 HydrophobicContact CG-CG 4.28Å; P394-F430 HydrophobicContact CG-CZ 4Å
395	Y	98.6	Very high	97.1	Very high	88 Å²	88	28.1 Å²	28.1	35%	0.345	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-82.9	-11.6	175.1	-55.4	-59.2	0	0	0	113	L366 K367 G370 H371 V392 I393 G397	L366-Y395 WeakPolarHBondContact O-CB 3.42Å; K367-Y395 HydrophobicContact CB-CD2 4.44Å; K367-Y395 HydrophobicContact CB-CE2 4.22Å; K367-Y395 HydrophobicContact CG-CE1 4.23Å; K367-Y395 HydrophobicContact CG-CE2 4.31Å; G370-Y395 CarbonylContact C-O 2.89Å; H371-Y395 WeakPolarHBondContact CA-O 3.28Å; H371-Y395 PolarHBondContact N-O 3.21Å; V392-Y395 WeakPolarHBondContact O-CB 3.29Å; V392-Y395 PolarHBondContact O-N 2.85Å; I393-Y395 PolarHBondContact O-N 2.8Å; I393-Y395 VanDerWaalsContact O-N 3.07Å; Y395-G397 PolarHBondContact O-N 2.89Å
396	L	98.7	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.			trans	-95.1	38.3	-171.2	-57.2	-176.5	0	0	0	113.5	L366 L376 I393 A398 I399 C431	L366-L396 HydrophobicContact CD2-CD2 4.21Å; L376-L396 HydrophobicContact CD2-CD1 3.85Å; L376-L396 HydrophobicContact CD2-CD2 4.06Å; I393-L396 WeakPolarHBondContact O-CB 3.42Å; I393-L396 PolarHBondContact O-N 2.73Å; L396-A398 PolarHBondContact O-N 3.26Å; L396-A398 VanDerWaalsContact O-N 3.13Å; L396-I399 HydrophobicContact CB-CB 4.04Å; L396-I399 HydrophobicContact CB-CG2 4.11Å; L396-I399 WeakPolarHBondContact O-CB 3.22Å; L396-I399 WeakPolarHBondContact O-CG2 3.28Å; L396-I399 PolarHBondContact O-N 2.99Å; L396-C431 PolarHBondContact O-SG 3.34Å; L396-C431 VanDerWaalsContact O-SG 3.37Å
397	G	98	Very high	96.6	Very high	33 Å²	33	29.4 Å²	29.4	34%	0.34	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.8	-173.4	0	0	0	0	0	115.6	Y395 F430 N433	Y395-G397 PolarHBondContact O-N 2.89Å; G397-F430 WeakPolarHBondContact CA-O 3.47Å; G397-N433 PolarHBondContact O-ND2 3.45Å
398	A	98.4	Very high	95.4	Very high	20 Å²	20	23 Å²	23	17%	0.165	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.1	178.2	0	0	0	0	0	114	H371 L373 H374 L396	H371-A398 VanDerWaalsContact O-CB 3.32Å; H371-A398 WeakPolarHBondContact O-CB 3.42Å; L373-A398 CarbonylContact O-C 3.58Å; L373-A398 WeakPolarHBondContact O-CB 3.38Å; H374-A398 PolarHBondContact CD2-O 3.34Å; L396-A398 PolarHBondContact O-N 3.26Å; L396-A398 VanDerWaalsContact O-N 3.13Å
399	I	98.8	Very high	93.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.161	C	C	.	.			trans	-62.4	139	-170.3	-158	72.1	0	0	0	112.1	L373 L376 L396 V401 C402 C431 N433 L434	L373-I399 HydrophobicContact CB-CD1 4.35Å; L373-I399 WeakPolarHBondContact O-CA 3.37Å; L373-I399 PolarHBondContact O-N 3.5Å; L376-I399 HydrophobicContact CB-CD1 3.75Å; L396-I399 HydrophobicContact CB-CB 4.04Å; L396-I399 HydrophobicContact CB-CG2 4.11Å; L396-I399 WeakPolarHBondContact O-CB 3.22Å; L396-I399 WeakPolarHBondContact O-CG2 3.28Å; L396-I399 PolarHBondContact O-N 2.99Å; I399-V401 WeakPolarHBondContact CD1-O 3.1Å; I399-C402 HydrophobicContact CG1-CB 4.08Å; I399-C431 HydrophobicContact CG2-CB 3.62Å; I399-C431 VanDerWaalsContact CG2-SG 3.51Å; I399-N433 CarbonylContact O-C 3.59Å; I399-N433 VanDerWaalsContact O-C 3.26Å; I399-L434 HydrophobicContact CG2-CD1 4.12Å; I399-L434 PolarHBondContact O-N 2.97Å
400	K	98.7	Very high	91	Very high	61 Å²	61	35 Å²	35	27%	0.265	20%	0.198	S	C	.	.	S	Bend	trans	-117.6	-40.1	175.4	-61.2	-178.2	179.2	-177.4	0	111.4	H374 E435 A436	H374-K400 HydrophobicContact CB-CD 4.31Å; H374-K400 HydrophobicContact CB-CG 4.37Å; H374-K400 WeakPolarHBondContact O-CA 3.47Å; H374-K400 WeakPolarHBondContact O-CB 3.32Å; H374-K400 PolarHBondContact O-N 3.1Å; K400-E435 HydrophobicContact CB-CG 4.16Å; K400-E435 HydrophobicContact CG-CG 4.5Å; K400-E435 WeakPolarHBondContact O-CA 3.44Å; K400-E435 PolarHBondContact O-N 2.94Å; K400-A436 PolarHBondContact O-N 2.68Å
401	V	98.7	Very high	88.8	Confident	9 Å²	9	40 Å²	40	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.9	-178.7	-177.2	0	0	0	0	108.5	H374 G375 L376 I399 A436 T501 I503	H374-V401 PolarHBondContact O-N 3.38Å; G375-V401 CarbonylContact C-O 3.19Å; G375-V401 WeakPolarHBondContact CA-O 3.27Å; L376-V401 PolarHBondContact N-O 2.67Å; I399-V401 WeakPolarHBondContact CD1-O 3.1Å; V401-A436 WeakPolarHBondContact CA-O 3.2Å; V401-A436 HydrophobicContact CG1-CB 4.42Å; V401-A436 HydrophobicContact CG2-CB 4.43Å; V401-T501 HydrophobicContact CG1-CG2 3.49Å; V401-T501 VanDerWaalsContact CG1-CG2 3.49Å; V401-I503 HydrophobicContact CB-CG2 4.33Å; V401-I503 HydrophobicContact CG1-CG2 4.08Å
402	C	98.8	Very high	86.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.5	176.5	-165.8	0	0	0	0	111.6	L376 I399 F427 L434 A436 L437 E438	L376-C402 VanDerWaalsContact O-CA 3.28Å; L376-C402 WeakPolarHBondContact O-CA 2.89Å; I399-C402 HydrophobicContact CG1-CB 4.08Å; C402-F427 HydrophobicContact CB-CE1 4.18Å; C402-F427 HydrophobicContact CB-CZ 4.24Å; C402-L434 HydrophobicContact CB-CD1 4.38Å; C402-A436 PolarHBondContact N-O 2.67Å; C402-L437 HydrophobicContact CB-CD1 3.96Å; C402-L437 WeakPolarHBondContact O-CA 3.07Å; C402-E438 PolarHBondContact O-N 2.77Å
403	V	98.5	Very high	84.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.6	177	-169.8	0	0	0	0	108.9	L376 M377 L378 H379 E438 T501	L376-V403 PolarHBondContact O-N 3.16Å; M377-V403 HydrophobicContact CB-CB 4.3Å; M377-V403 HydrophobicContact CE-CG2 4.32Å; M377-V403 HydrophobicContact CG-CB 3.86Å; M377-V403 HydrophobicContact CG-CG2 3.7Å; M377-V403 HydrophobicContact SD-CG2 4.25Å; L378-V403 PolarHBondContact N-O 3.01Å; H379-V403 HydrophobicContact CB-CG1 3.92Å; H379-V403 VanDerWaalsContact ND1-CG1 3.29Å; H379-V403 WeakPolarHBondContact ND1-CG1 3.18Å; V403-E438 WeakPolarHBondContact CA-O 3.48Å; V403-E438 HydrophobicContact CB-CB 4.4Å; V403-E438 HydrophobicContact CG1-CB 3.95Å; V403-E438 HydrophobicContact CG1-CG 3.97Å; V403-E438 HydrophobicContact CG2-CB 4.18Å; V403-T501 HydrophobicContact CG2-CG2 3.72Å
404	L	97.6	Very high	82.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	169.1	-172.3	63.8	151.1	0	0	0	112.8	W389 I423 F427 L437 E438 I439 Q440 W441	W389-L404 HydrophobicContact CD2-CB 4.06Å; W389-L404 HydrophobicContact CD2-CD1 3.67Å; W389-L404 HydrophobicContact CD2-CG 4.49Å; W389-L404 VanDerWaalsContact CE2-CB 3.41Å; W389-L404 HydrophobicContact CE3-CB 4.34Å; W389-L404 HydrophobicContact CE3-CD1 4.04Å; W389-L404 HydrophobicContact CG-CD1 3.96Å; W389-L404 HydrophobicContact CH2-CB 3.45Å; W389-L404 VanDerWaalsContact CH2-CB 3.45Å; W389-L404 HydrophobicContact CZ2-CB 3.11Å; W389-L404 HydrophobicContact CZ2-CD1 4.33Å; W389-L404 HydrophobicContact CZ2-CG 4.31Å; W389-L404 HydrophobicContact CZ3-CB 4.05Å; W389-L404 HydrophobicContact CZ3-CD1 4.49Å; L404-I423 HydrophobicContact CD1-CG2 3.88Å; L404-F427 HydrophobicContact CD1-CE2 4.27Å; L404-F427 HydrophobicContact CD2-CE2 4.07Å; L404-F427 HydrophobicContact CD2-CZ 4.11Å; L404-L437 HydrophobicContact CD2-CD1 3.47Å; L404-L437 VanDerWaalsContact CD2-CD1 3.47Å; L404-L437 HydrophobicContact CD2-CG 4.45Å; L404-E438 VanDerWaalsContact CD2-O 3.26Å; L404-E438 WeakPolarHBondContact CD2-O 3.44Å; L404-E438 PolarHBondContact N-O 3.39Å; L404-I439 HydrophobicContact CD1-CG1 4.46Å; L404-I439 HydrophobicContact CD2-CG1 4Å; L404-I439 HydrophobicContact CG-CG1 4.14Å; L404-I439 WeakPolarHBondContact O-CA 3.3Å; L404-Q440 PolarHBondContact O-N 2.95Å; L404-W441 HydrophobicContact CD1-CH2 3.91Å; L404-W441 HydrophobicContact CD1-CZ3 3.98Å
405	G	94.1	Very high	80.9	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.021	31%	0.311	C	S	.	.			trans	88.2	172.5	179.4	0	0	0	0	0	112.5	H379 G380 W441	H379-G405 CarbonylContact C-O 3.56Å; H379-G405 WeakPolarHBondContact CA-O 3.46Å; H379-G405 VanDerWaalsContact CB-O 3.22Å; H379-G405 WeakPolarHBondContact CB-O 3.06Å; G380-G405 PolarHBondContact N-O 3.39Å; G405-W441 VanDerWaalsContact CA-CE2 3.46Å
406	A	89	Confident	79.4	Confident	4 Å²	4	63 Å²	63	3%	0.033	32%	0.324	C	S	.	.			trans	-141.1	122.7	178.7	0	0	0	0	0	108	H408 Q440	A406-H408 PolarHBondContact O-N 2.98Å; A406-H408 PolarHBondContact O-ND1 3.42Å; A406-Q440 CarbonylContact C-O 3.55Å
407	S	81.4	Confident	78.6	Confident	77 Å²	77	70.3 Å²	70.3	54%	0.538	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-73.6	120.5	169	57.1	0	0	0	0	108	Q440	S407-Q440 WeakPolarHBondContact CA-O 3.11Å; S407-Q440 PolarHBondContact N-O 3.15Å
408	H	68.6	Low	78.2	Confident	43 Å²	43	69 Å²	69	20%	0.199	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-98.2	127.4	167	-69.4	71.3	0	0	0	108.2	A382 A406 F412 Y414 D442	A382-H408 VanDerWaalsContact CB-NE2 3.35Å; A382-H408 WeakPolarHBondContact CB-NE2 3.34Å; A406-H408 PolarHBondContact O-N 2.98Å; A406-H408 PolarHBondContact O-ND1 3.42Å; H408-F412 HydrophobicContact CB-CB 4.16Å; H408-F412 WeakPolarHBondContact CB-O 3.35Å; H408-F412 VanDerWaalsContact CD2-CB 3.45Å; H408-F412 WeakPolarHBondContact CD2-CB 3.48Å; H408-Y414 AromaticContact CE1-CE2 3.37Å; H408-Y414 WeakPolarHBondContact CE1-CE2 3.32Å; H408-Y414 AromaticContact CE1-CZ 3.47Å; H408-Y414 VanDerWaalsContact CE1-CZ 3.47Å; H408-Y414 PolarHBondContact CE1-OH 3.17Å; H408-Y414 AromaticContact ND1-CE2 3.27Å; H408-Y414 VanDerWaalsContact ND1-CE2 3.27Å; H408-Y414 WeakPolarHBondContact ND1-CE2 3.44Å; H408-Y414 AromaticContact ND1-CZ 3.89Å; H408-D442 PolarHBondContact N-OD2 3.47Å
409	G	53.6	Low	77.9	Confident	51 Å²	51	70.9 Å²	70.9	53%	0.526	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-54.5	156.4	158.6	0	0	0	0	0	109.3	F411 F412	G409-F411 PolarHBondContact O-N 3.46Å; G409-F412 PolarHBondContact O-N 2.73Å
410	W	48.7	Very low	77.8	Confident	203 Å²	203	71 Å²	71	77%	0.769	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-8.2	-176	59.1	-89.1	0	0	0	117.3
411	F	49.4	Very low	77.6	Confident	145 Å²	145	68.9 Å²	68.9	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-31.1	-179.4	-63.2	-84.3	0	0	0	115.1	G409	G409-F411 PolarHBondContact O-N 3.46Å
412	F	54.5	Low	77.5	Confident	158 Å²	158	73.7 Å²	73.7	69%	0.693	36%	0.355	S	S	*	.			trans	-110.4	91.3	-179	-80	-81.9	0	0	0	109.8	H408 G409 Y414	H408-F412 HydrophobicContact CB-CB 4.16Å; H408-F412 WeakPolarHBondContact CB-O 3.35Å; H408-F412 VanDerWaalsContact CD2-CB 3.45Å; H408-F412 WeakPolarHBondContact CD2-CB 3.48Å; G409-F412 PolarHBondContact O-N 2.73Å; F412-Y414 PolarHBondContact O-N 3.36Å
413	K	54.9	Low	77.4	Confident	182 Å²	182	73.7 Å²	73.7	79%	0.791	36%	0.355	S	S	*	.			trans	-80.2	119.8	172.3	-72.9	-174.9	178.8	177.8	0	109.6	N415	K413-N415 PolarHBondContact O-N 3.27Å
414	Y	59	Low	77.4	Confident	60 Å²	60	73.8 Å²	73.8	24%	0.235	36%	0.355	C	S	.	.			trans	-60.3	134.9	163.6	-77.6	-81.2	0	0	0	110.4	A382 H408 F412 T416 T445	A382-Y414 VanDerWaalsContact C-OH 3.27Å; A382-Y414 WeakPolarHBondContact CA-OH 3.1Å; A382-Y414 WeakPolarHBondContact O-CE1 3.49Å; A382-Y414 PolarHBondContact O-OH 3.37Å; H408-Y414 AromaticContact CE1-CE2 3.37Å; H408-Y414 WeakPolarHBondContact CE1-CE2 3.32Å; H408-Y414 AromaticContact CE1-CZ 3.47Å; H408-Y414 VanDerWaalsContact CE1-CZ 3.47Å; H408-Y414 PolarHBondContact CE1-OH 3.17Å; H408-Y414 AromaticContact ND1-CE2 3.27Å; H408-Y414 VanDerWaalsContact ND1-CE2 3.27Å; H408-Y414 WeakPolarHBondContact ND1-CE2 3.44Å; H408-Y414 AromaticContact ND1-CZ 3.89Å; F412-Y414 PolarHBondContact O-N 3.36Å; Y414-T416 WeakPolarHBondContact CB-O 3.27Å; Y414-T416 PolarHBondContact O-N 3.12Å; Y414-T445 HydrophobicContact CD2-CG2 3.63Å; Y414-T445 HydrophobicContact CE2-CG2 3.8Å; Y414-T445 HydrophobicContact CG-CG2 4.49Å
415	N	61.3	Low	77.4	Confident	171 Å²	171	76.8 Å²	76.8	91%	0.914	37%	0.37	S	S	*	.	S	Bend	trans	-70.1	-17.1	169.7	-81.4	-17.7	0	0	0	112.4	K413	K413-N415 PolarHBondContact O-N 3.27Å
416	T	66.5	Low	77.6	Confident	103 Å²	103	77.2 Å²	77.2	63%	0.632	37%	0.372	S	S	*	.	S	Bend	trans	-128.4	133.6	-179.1	49.3	0	0	0	0	111.1	Y414	Y414-T416 WeakPolarHBondContact CB-O 3.27Å; Y414-T416 PolarHBondContact O-N 3.12Å
417	R	82.1	Confident	78.1	Confident	154 Å²	154	77 Å²	77	58%	0.581	37%	0.371	S	S	*	.			trans	-86.8	140	176.1	-63.9	-172.1	179.9	-176.1	-1.2	111.3	T445 R447	R417-T445 CarbonylContact C-O 3.56Å; R417-T445 VanDerWaalsContact CA-O 3.29Å; R417-T445 WeakPolarHBondContact CA-O 3.49Å; R417-T445 WeakPolarHBondContact CB-O 2.95Å; R417-R447 HydrophobicContact CB-CB 3.73Å
418	V	89.7	Confident	78.9	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.03	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.5	178.3	170.8	0	0	0	0	110.4	A385 E386 I420 W441 T445 R447	A385-V418 HydrophobicContact CB-CG2 4.49Å; E386-V418 HydrophobicContact CB-CG1 4.09Å; V418-I420 PolarHBondContact O-N 3.13Å; V418-W441 HydrophobicContact CB-CD2 4.4Å; V418-W441 HydrophobicContact CG1-CD2 4.04Å; V418-W441 HydrophobicContact CG1-CE3 3.74Å; V418-W441 HydrophobicContact CG1-CH2 3.88Å; V418-W441 HydrophobicContact CG1-CZ2 4.12Å; V418-W441 HydrophobicContact CG1-CZ3 3.68Å; V418-W441 HydrophobicContact CG2-CD2 4.31Å; V418-W441 HydrophobicContact CG2-CZ2 4.28Å; V418-T445 HydrophobicContact CG2-CG2 4.18Å; V418-T445 PolarHBondContact N-O 3.25Å; V418-R447 PolarHBondContact O-N 3.46Å
419	H	92.3	Very high	80.3	Confident	61 Å²	61	74.3 Å²	74.3	28%	0.282	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	88.6	172	-64	-111.1	0	0	0	110.7	E386 D421 K422 R447	E386-H419 WeakPolarHBondContact OE2-CA 3.37Å; E386-H419 WeakPolarHBondContact OE2-CB 3.35Å; E386-H419 IonicContact OE2-CD2 3.52Å; E386-H419 PolarHBondContact OE2-CD2 2.92Å; E386-H419 VanDerWaalsContact OE2-CD2 3.24Å; E386-H419 IonicContact OE2-CG 3.03Å; E386-H419 PolarHBondContact OE2-N 3.4Å; H419-D421 PolarHBondContact O-N 3.32Å; H419-D421 VanDerWaalsContact O-N 3.09Å; H419-K422 HydrophobicContact CB-CG 4.19Å; H419-K422 PolarHBondContact O-N 3.25Å; H419-R447 PolarHBondContact CE1-NH1 3.44Å; H419-R447 PolarHBondContact NE2-NH1 2.98Å
420	I	95.2	Very high	82.4	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-55.6	-30.4	-178.8	-170.7	158.1	0	0	0	113.5	V418 K422 I423 L424 I439 I446 F448 L471 Y476	V418-I420 PolarHBondContact O-N 3.13Å; I420-K422 VanDerWaalsContact C-N 3.29Å; I420-K422 PolarHBondContact O-N 2.77Å; I420-I423 WeakPolarHBondContact O-CB 3.35Å; I420-I423 PolarHBondContact O-N 3.07Å; I420-I423 VanDerWaalsContact O-N 3.08Å; I420-L424 PolarHBondContact O-N 2.86Å; I420-I439 HydrophobicContact CD1-CD1 4.07Å; I420-I439 HydrophobicContact CD1-CG2 4.02Å; I420-I439 HydrophobicContact CG1-CD1 4.23Å; I420-I446 HydrophobicContact CD1-CD1 4.47Å; I420-I446 HydrophobicContact CD1-CG2 4.27Å; I420-F448 HydrophobicContact CG2-CB 4.02Å; I420-L471 HydrophobicContact CD1-CD2 4.45Å; I420-Y476 HydrophobicContact CD1-CD1 3.79Å; I420-Y476 HydrophobicContact CD1-CE1 3.37Å; I420-Y476 HydrophobicContact CG1-CE1 3.86Å; I420-Y476 HydrophobicContact CG2-CD1 4.44Å; I420-Y476 HydrophobicContact CG2-CD2 4.2Å; I420-Y476 HydrophobicContact CG2-CE1 3.96Å; I420-Y476 HydrophobicContact CG2-CE2 3.66Å
421	D	96	Very high	84.8	Confident	16 Å²	16	67 Å²	67	9%	0.086	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-35.8	178	-70.6	-22.7	0	0	0	112.9	H419 I423 L424 E425 S452 F455 Y476	H419-D421 PolarHBondContact O-N 3.32Å; H419-D421 VanDerWaalsContact O-N 3.09Å; D421-I423 VanDerWaalsContact C-N 3.27Å; D421-I423 PolarHBondContact O-N 3.14Å; D421-L424 PolarHBondContact O-N 3.1Å; D421-E425 WeakPolarHBondContact O-CB 3.38Å; D421-E425 PolarHBondContact O-N 2.89Å; D421-S452 WeakPolarHBondContact OD1-CB 3.09Å; D421-S452 PolarHBondContact OD1-OG 3.16Å; D421-S452 PolarHBondContact OD2-OG 3.3Å; D421-F455 HydrophobicContact CB-CB 4.37Å; D421-F455 HydrophobicContact CB-CD1 4.17Å; D421-F455 HydrophobicContact CB-CD2 3.8Å; D421-F455 HydrophobicContact CB-CE1 4.4Å; D421-F455 HydrophobicContact CB-CE2 4.03Å; D421-F455 HydrophobicContact CB-CG 3.85Å; D421-F455 HydrophobicContact CB-CZ 4.33Å; D421-F455 WeakPolarHBondContact O-CD1 3.38Å; D421-Y476 PolarHBondContact OD1-OH 3.21Å
422	K	95.8	Very high	87.1	Confident	111 Å²	111	63.2 Å²	63.2	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-30.9	177.6	-60.8	-151.1	-154.5	130.9	0	112	E386 T390 H419 I420 S426	E386-K422 HydrophobicContact CG-CB 4.46Å; E386-K422 WeakPolarHBondContact OE1-CD 3.28Å; E386-K422 WeakPolarHBondContact OE1-CE 3.44Å; E386-K422 WeakPolarHBondContact OE1-CG 3.2Å; E386-K422 IonicContact OE1-NZ 2.65Å; E386-K422 PolarHBondContact OE1-NZ 3.46Å; T390-K422 HydrophobicContact CG2-CB 4.06Å; H419-K422 HydrophobicContact CB-CG 4.19Å; H419-K422 PolarHBondContact O-N 3.25Å; I420-K422 VanDerWaalsContact C-N 3.29Å; I420-K422 PolarHBondContact O-N 2.77Å; K422-S426 WeakPolarHBondContact O-CB 3.48Å; K422-S426 PolarHBondContact O-N 3.07Å
423	I	97.2	Very high	89.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-49.5	176.3	-55.9	-66.2	0	0	0	109.9	E386 W389 T390 I393 L404 I420 D421 E425 S426 F427 W441	E386-I423 HydrophobicContact CG-CD1 4.18Å; E386-I423 HydrophobicContact CG-CG1 4.42Å; W389-I423 HydrophobicContact CB-CD1 3.37Å; W389-I423 HydrophobicContact CG-CD1 4.27Å; T390-I423 HydrophobicContact CG2-CD1 4Å; I393-I423 HydrophobicContact CD1-CG2 4.28Å; L404-I423 HydrophobicContact CD1-CG2 3.88Å; I420-I423 WeakPolarHBondContact O-CB 3.35Å; I420-I423 PolarHBondContact O-N 3.07Å; I420-I423 VanDerWaalsContact O-N 3.08Å; D421-I423 VanDerWaalsContact C-N 3.27Å; D421-I423 PolarHBondContact O-N 3.14Å; I423-E425 VanDerWaalsContact C-N 3.31Å; I423-E425 PolarHBondContact O-N 3.08Å; I423-S426 PolarHBondContact O-N 2.94Å; I423-S426 VanDerWaalsContact O-N 3.17Å; I423-F427 HydrophobicContact CG2-CD2 3.84Å; I423-F427 HydrophobicContact CG2-CE2 3.72Å; I423-F427 WeakPolarHBondContact O-CD2 3.45Å; I423-F427 PolarHBondContact O-N 3.39Å; I423-W441 HydrophobicContact CG1-CH2 4.45Å; I423-W441 HydrophobicContact CG1-CZ3 4.25Å
424	L	97.9	Very high	91.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-42.1	175.4	-66.7	-163.9	0	0	0	112.1	I420 D421 S426 F427 A428 L437 I439 F455 I456 I459 Y476	I420-L424 PolarHBondContact O-N 2.86Å; D421-L424 PolarHBondContact O-N 3.1Å; L424-S426 VanDerWaalsContact C-N 3.32Å; L424-S426 PolarHBondContact O-N 3.18Å; L424-F427 PolarHBondContact O-N 2.96Å; L424-A428 VanDerWaalsContact O-CB 3.28Å; L424-A428 WeakPolarHBondContact O-CB 3.32Å; L424-A428 PolarHBondContact O-N 3.41Å; L424-L437 HydrophobicContact CD2-CD2 4.23Å; L424-I439 HydrophobicContact CD2-CD1 3.94Å; L424-F455 HydrophobicContact CB-CB 4.46Å; L424-I456 HydrophobicContact CD1-CG1 4.06Å; L424-I459 HydrophobicContact CD1-CG2 4.41Å; L424-I459 HydrophobicContact CD2-CD1 3.87Å; L424-Y476 WeakPolarHBondContact CD1-OH 3.46Å
425	E	97.7	Very high	93.1	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-59.2	-44.1	175.6	-170.9	65.5	-164.3	0	0	111.6	D421 I423 A428 G429 F455 R458	D421-E425 WeakPolarHBondContact O-CB 3.38Å; D421-E425 PolarHBondContact O-N 2.89Å; I423-E425 VanDerWaalsContact C-N 3.31Å; I423-E425 PolarHBondContact O-N 3.08Å; E425-A428 PolarHBondContact O-N 2.95Å; E425-G429 PolarHBondContact O-N 3.21Å; E425-F455 HydrophobicContact CB-CD1 3.84Å; E425-F455 HydrophobicContact CB-CE1 4.13Å; E425-F455 HydrophobicContact CG-CD1 4.32Å; E425-F455 HydrophobicContact CG-CE1 4.3Å; E425-F455 WeakPolarHBondContact OE2-CD1 3.4Å; E425-F455 WeakPolarHBondContact OE2-CE1 3.15Å; E425-R458 IonicContact OE1-CZ 2.78Å; E425-R458 IonicContact OE1-NE 3.64Å; E425-R458 IonicContact OE1-NH1 3.21Å; E425-R458 PolarHBondContact OE1-NH1 2.95Å; E425-R458 WeakPolarHBondContact OE2-CD 3.45Å; E425-R458 IonicContact OE2-CZ 2.85Å; E425-R458 IonicContact OE2-NE 2.84Å; E425-R458 IonicContact OE2-NH1 3.43Å; E425-R458 PolarHBondContact OE2-NH1 3.29Å
426	S	98.4	Very high	94.8	Very high	11 Å²	11	41.3 Å²	41.3	8%	0.077	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-47.9	-180	-162.5	0	0	0	0	111.3	I393 K422 I423 L424 A428 G429 F430	I393-S426 WeakPolarHBondContact CB-OG 3.45Å; I393-S426 VanDerWaalsContact CG2-OG 3.23Å; I393-S426 WeakPolarHBondContact CG2-OG 3.47Å; K422-S426 WeakPolarHBondContact O-CB 3.48Å; K422-S426 PolarHBondContact O-N 3.07Å; I423-S426 PolarHBondContact O-N 2.94Å; I423-S426 VanDerWaalsContact O-N 3.17Å; L424-S426 VanDerWaalsContact C-N 3.32Å; L424-S426 PolarHBondContact O-N 3.18Å; S426-A428 VanDerWaalsContact C-N 3.33Å; S426-A428 PolarHBondContact O-N 3.24Å; S426-G429 PolarHBondContact O-N 2.96Å; S426-F430 VanDerWaalsContact O-CD2 3.26Å; S426-F430 WeakPolarHBondContact O-CD2 3.37Å; S426-F430 PolarHBondContact O-N 2.69Å
427	F	98.7	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-43.5	175.1	-83	-69.3	0	0	0	112.1	I393 C402 L404 I423 L424 G429 F430 C431 L434 L437 I459	I393-F427 HydrophobicContact CD1-CD2 3.68Å; I393-F427 HydrophobicContact CD1-CE1 4.32Å; I393-F427 HydrophobicContact CD1-CE2 3.44Å; I393-F427 VanDerWaalsContact CD1-CE2 3.44Å; I393-F427 HydrophobicContact CD1-CG 4.21Å; I393-F427 HydrophobicContact CD1-CZ 3.79Å; I393-F427 HydrophobicContact CG1-CD1 4.49Å; I393-F427 HydrophobicContact CG1-CD2 4.46Å; I393-F427 HydrophobicContact CG1-CE1 4.1Å; I393-F427 HydrophobicContact CG1-CE2 4.06Å; I393-F427 HydrophobicContact CG1-CZ 3.86Å; I393-F427 HydrophobicContact CG2-CD1 4.28Å; I393-F427 HydrophobicContact CG2-CG 4.47Å; C402-F427 HydrophobicContact CB-CE1 4.18Å; C402-F427 HydrophobicContact CB-CZ 4.24Å; L404-F427 HydrophobicContact CD1-CE2 4.27Å; L404-F427 HydrophobicContact CD2-CE2 4.07Å; L404-F427 HydrophobicContact CD2-CZ 4.11Å; I423-F427 HydrophobicContact CG2-CD2 3.84Å; I423-F427 HydrophobicContact CG2-CE2 3.72Å; I423-F427 WeakPolarHBondContact O-CD2 3.45Å; I423-F427 PolarHBondContact O-N 3.39Å; L424-F427 PolarHBondContact O-N 2.96Å; F427-G429 PolarHBondContact O-N 3.06Å; F427-F430 PolarHBondContact O-N 3.23Å; F427-C431 HydrophobicContact CD1-CB 3.94Å; F427-C431 WeakPolarHBondContact O-CA 3.41Å; F427-C431 WeakPolarHBondContact O-CB 3.23Å; F427-C431 PolarHBondContact O-N 3.5Å; F427-L434 HydrophobicContact CB-CD2 4.27Å; F427-L434 HydrophobicContact CD1-CD2 4.02Å; F427-L434 HydrophobicContact CG-CD2 4.3Å; F427-L437 HydrophobicContact CD1-CD1 4.48Å; F427-L437 HydrophobicContact CD2-CD1 4.15Å; F427-L437 HydrophobicContact CD2-CD2 3.94Å; F427-L437 HydrophobicContact CE1-CD1 4.07Å; F427-L437 HydrophobicContact CE2-CD1 3.7Å; F427-L437 HydrophobicContact CE2-CD2 4.27Å; F427-L437 HydrophobicContact CG-CD2 4.28Å; F427-L437 HydrophobicContact CZ-CD1 3.66Å; F427-I459 HydrophobicContact CB-CD1 4.07Å
428	A	98.4	Very high	97.1	Very high	8 Å²	8	29.2 Å²	29.2	7%	0.066	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-33.5	175.5	0	0	0	0	0	112.4	L424 E425 S426 R458 I459 K462	L424-A428 VanDerWaalsContact O-CB 3.28Å; L424-A428 WeakPolarHBondContact O-CB 3.32Å; L424-A428 PolarHBondContact O-N 3.41Å; E425-A428 PolarHBondContact O-N 2.95Å; S426-A428 VanDerWaalsContact C-N 3.33Å; S426-A428 PolarHBondContact O-N 3.24Å; A428-R458 HydrophobicContact CB-CB 4.18Å; A428-I459 HydrophobicContact CB-CB 4.14Å; A428-K462 HydrophobicContact CB-CB 4.08Å; A428-K462 HydrophobicContact CB-CG 4.38Å; A428-K462 WeakPolarHBondContact O-CB 3.04Å
429	G	98.2	Very high	97.5	Very high	56 Å²	56	29.1 Å²	29.1	58%	0.577	16%	0.16	S	C	*	.	H	α-helix	trans	-76.6	-38.2	-180	0	0	0	0	0	114.2	E425 S426 F427	E425-G429 PolarHBondContact O-N 3.21Å; S426-G429 PolarHBondContact O-N 2.96Å; F427-G429 PolarHBondContact O-N 3.06Å
430	F	98.6	Very high	97.5	Very high	100 Å²	100	27.5 Å²	27.5	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-118.5	-16	-165.3	-62.3	-75.5	0	0	0	115.1	I393 P394 G397 S426 F427 P432	I393-F430 HydrophobicContact CG2-CB 4.14Å; I393-F430 HydrophobicContact CG2-CD2 4.35Å; P394-F430 HydrophobicContact CB-CD1 4Å; P394-F430 HydrophobicContact CB-CD2 4.31Å; P394-F430 HydrophobicContact CB-CE1 4.02Å; P394-F430 HydrophobicContact CB-CE2 4.35Å; P394-F430 HydrophobicContact CB-CG 4.16Å; P394-F430 HydrophobicContact CB-CZ 4.21Å; P394-F430 HydrophobicContact CG-CD1 4.46Å; P394-F430 HydrophobicContact CG-CD2 3.92Å; P394-F430 HydrophobicContact CG-CE1 4.32Å; P394-F430 HydrophobicContact CG-CE2 3.79Å; P394-F430 HydrophobicContact CG-CG 4.28Å; P394-F430 HydrophobicContact CG-CZ 4Å; G397-F430 WeakPolarHBondContact CA-O 3.47Å; S426-F430 VanDerWaalsContact O-CD2 3.26Å; S426-F430 WeakPolarHBondContact O-CD2 3.37Å; S426-F430 PolarHBondContact O-N 2.69Å; F427-F430 PolarHBondContact O-N 3.23Å; F430-P432 VanDerWaalsContact C-CD 3.43Å; F430-P432 WeakPolarHBondContact O-CD 3.4Å
431	C	98.6	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.			trans	-121.2	66.6	-170.1	-58.7	0	0	0	0	112.8	L396 I399 F427 N433 L434 C463	L396-C431 PolarHBondContact O-SG 3.34Å; L396-C431 VanDerWaalsContact O-SG 3.37Å; I399-C431 HydrophobicContact CG2-CB 3.62Å; I399-C431 VanDerWaalsContact CG2-SG 3.51Å; F427-C431 HydrophobicContact CD1-CB 3.94Å; F427-C431 WeakPolarHBondContact O-CA 3.41Å; F427-C431 WeakPolarHBondContact O-CB 3.23Å; F427-C431 PolarHBondContact O-N 3.5Å; C431-N433 PolarHBondContact O-N 3.31Å; C431-L434 HydrophobicContact CB-CB 4.39Å; C431-L434 WeakPolarHBondContact O-CB 3.41Å; C431-L434 PolarHBondContact O-N 2.82Å; C431-C463 PolarHBondContact O-SG 3.24Å
432	P	97.6	Very high	97.1	Very high	65 Å²	65	27.8 Å²	27.8	42%	0.422	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.6	-176.3	28.9	-36.5	0	0	0	113.9	F430	F430-P432 VanDerWaalsContact C-CD 3.43Å; F430-P432 WeakPolarHBondContact O-CD 3.4Å
433	N	97.8	Very high	96.8	Very high	51 Å²	51	25.4 Å²	25.4	27%	0.273	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.8	-179.1	-67.1	-56.6	0	0	0	114.1	G397 I399 C431 E435 R465	G397-N433 PolarHBondContact O-ND2 3.45Å; I399-N433 CarbonylContact O-C 3.59Å; I399-N433 VanDerWaalsContact O-C 3.26Å; C431-N433 PolarHBondContact O-N 3.31Å; N433-E435 WeakPolarHBondContact O-CG 3.36Å; N433-E435 PolarHBondContact O-N 3.34Å; N433-R465 PolarHBondContact OD1-NH1 3.13Å
434	L	98.5	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.			trans	-59.3	125.1	-176.1	-169.4	67.5	0	0	0	111.3	I399 C402 F427 C431 L437 I459 C463 R465 L466	I399-L434 HydrophobicContact CG2-CD1 4.12Å; I399-L434 PolarHBondContact O-N 2.97Å; C402-L434 HydrophobicContact CB-CD1 4.38Å; F427-L434 HydrophobicContact CB-CD2 4.27Å; F427-L434 HydrophobicContact CD1-CD2 4.02Å; F427-L434 HydrophobicContact CG-CD2 4.3Å; C431-L434 HydrophobicContact CB-CB 4.39Å; C431-L434 WeakPolarHBondContact O-CB 3.41Å; C431-L434 PolarHBondContact O-N 2.82Å; L434-L437 HydrophobicContact CD1-CB 4.44Å; L434-L437 HydrophobicContact CD2-CB 4Å; L434-L437 HydrophobicContact CD2-CD2 4.12Å; L434-L437 HydrophobicContact CD2-CG 4.45Å; L434-L437 HydrophobicContact CG-CB 4.4Å; L434-I459 HydrophobicContact CD2-CD1 4.29Å; L434-C463 HydrophobicContact CB-CB 4.22Å; L434-R465 CarbonylContact O-C 3.28Å; L434-R465 VanDerWaalsContact O-C 3.25Å; L434-L466 HydrophobicContact CD2-CD1 4.21Å; L434-L466 HydrophobicContact CG-CD1 4.1Å; L434-L466 WeakPolarHBondContact O-CA 3.38Å; L434-L466 PolarHBondContact O-N 3.2Å; L434-L466 VanDerWaalsContact O-N 3.12Å
435	E	98.3	Very high	95.9	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.22	19%	0.185	C	C	.	.			trans	-110.5	-36.8	180	-57.6	-165.8	-154.4	0	0	112	K400 N433 R465 K467 S468	K400-E435 HydrophobicContact CB-CG 4.16Å; K400-E435 HydrophobicContact CG-CG 4.5Å; K400-E435 WeakPolarHBondContact O-CA 3.44Å; K400-E435 PolarHBondContact O-N 2.94Å; N433-E435 WeakPolarHBondContact O-CG 3.36Å; N433-E435 PolarHBondContact O-N 3.34Å; E435-R465 WeakPolarHBondContact CA-O 3.24Å; E435-R465 HydrophobicContact CG-CB 4.16Å; E435-K467 PolarHBondContact O-N 2.98Å; E435-K467 IonicContact OE2-NZ 3.35Å; E435-K467 PolarHBondContact OE2-NZ 3.47Å; E435-S468 PolarHBondContact O-N 3.37Å; E435-S468 VanDerWaalsContact O-N 3.13Å
436	A	98.1	Very high	95.6	Very high	13 Å²	13	29.6 Å²	29.6	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.3	176.6	0	0	0	0	0	110.8	K400 V401 C402 S468 T501	K400-A436 PolarHBondContact O-N 2.68Å; V401-A436 WeakPolarHBondContact CA-O 3.2Å; V401-A436 HydrophobicContact CG1-CB 4.42Å; V401-A436 HydrophobicContact CG2-CB 4.43Å; C402-A436 PolarHBondContact N-O 2.67Å; A436-S468 WeakPolarHBondContact CA-O 3.44Å; A436-T501 HydrophobicContact CB-CG2 3.83Å
437	L	98.5	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.1	174.9	-176.6	63.3	0	0	0	109.4	C402 L404 L424 F427 L434 I439 I459 L466 S468 L469 T470	C402-L437 HydrophobicContact CB-CD1 3.96Å; C402-L437 WeakPolarHBondContact O-CA 3.07Å; L404-L437 HydrophobicContact CD2-CD1 3.47Å; L404-L437 VanDerWaalsContact CD2-CD1 3.47Å; L404-L437 HydrophobicContact CD2-CG 4.45Å; L424-L437 HydrophobicContact CD2-CD2 4.23Å; F427-L437 HydrophobicContact CD1-CD1 4.48Å; F427-L437 HydrophobicContact CD2-CD1 4.15Å; F427-L437 HydrophobicContact CD2-CD2 3.94Å; F427-L437 HydrophobicContact CE1-CD1 4.07Å; F427-L437 HydrophobicContact CE2-CD1 3.7Å; F427-L437 HydrophobicContact CE2-CD2 4.27Å; F427-L437 HydrophobicContact CG-CD2 4.28Å; F427-L437 HydrophobicContact CZ-CD1 3.66Å; L434-L437 HydrophobicContact CD1-CB 4.44Å; L434-L437 HydrophobicContact CD2-CB 4Å; L434-L437 HydrophobicContact CD2-CD2 4.12Å; L434-L437 HydrophobicContact CD2-CG 4.45Å; L434-L437 HydrophobicContact CG-CB 4.4Å; L437-I439 HydrophobicContact CD2-CD1 4.16Å; L437-I439 HydrophobicContact CD2-CG1 4.45Å; L437-I439 HydrophobicContact CG-CD1 4.49Å; L437-I439 HydrophobicContact CG-CG1 4.24Å; L437-I459 HydrophobicContact CD2-CD1 3.8Å; L437-L466 HydrophobicContact CB-CD1 4.38Å; L437-S468 PolarHBondContact N-O 3.34Å; L437-L469 HydrophobicContact CB-CD1 4.02Å; L437-L469 HydrophobicContact CD2-CD1 3.91Å; L437-L469 HydrophobicContact CG-CD1 4.09Å; L437-L469 CarbonylContact O-C 3.15Å; L437-L469 WeakPolarHBondContact O-CA 3.39Å; L437-T470 PolarHBondContact O-N 3.47Å
438	E	98.1	Very high	95.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128	174.1	177.4	170.8	142.8	0	0	111.3	C402 V403 L404 Q440 T470 T496 T501	C402-E438 PolarHBondContact O-N 2.77Å; V403-E438 WeakPolarHBondContact CA-O 3.48Å; V403-E438 HydrophobicContact CB-CB 4.4Å; V403-E438 HydrophobicContact CG1-CB 3.95Å; V403-E438 HydrophobicContact CG1-CG 3.97Å; V403-E438 HydrophobicContact CG2-CB 4.18Å; L404-E438 VanDerWaalsContact CD2-O 3.26Å; L404-E438 WeakPolarHBondContact CD2-O 3.44Å; L404-E438 PolarHBondContact N-O 3.39Å; E438-Q440 HydrophobicContact CG-CG 3.99Å; E438-Q440 PolarHBondContact OE1-NE2 3.32Å; E438-T470 WeakPolarHBondContact CA-O 3.13Å; E438-T470 HydrophobicContact CG-CG2 3.93Å; E438-T496 HydrophobicContact CG-CG2 4.42Å; E438-T501 WeakPolarHBondContact CB-OG1 3.27Å; E438-T501 WeakPolarHBondContact OE2-CB 3.29Å; E438-T501 PolarHBondContact OE2-N 3.02Å; E438-T501 PolarHBondContact OE2-OG1 3.05Å
439	I	96.8	Very high	94.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.6	-178.9	-53.9	175.1	0	0	0	108.4	L404 I420 L424 L437 W441 T470 L471	L404-I439 HydrophobicContact CD1-CG1 4.46Å; L404-I439 HydrophobicContact CD2-CG1 4Å; L404-I439 HydrophobicContact CG-CG1 4.14Å; L404-I439 WeakPolarHBondContact O-CA 3.3Å; I420-I439 HydrophobicContact CD1-CD1 4.07Å; I420-I439 HydrophobicContact CD1-CG2 4.02Å; I420-I439 HydrophobicContact CG1-CD1 4.23Å; L424-I439 HydrophobicContact CD2-CD1 3.94Å; L437-I439 HydrophobicContact CD2-CD1 4.16Å; L437-I439 HydrophobicContact CD2-CG1 4.45Å; L437-I439 HydrophobicContact CG-CD1 4.49Å; L437-I439 HydrophobicContact CG-CG1 4.24Å; I439-W441 HydrophobicContact CG2-CD2 4.24Å; I439-W441 HydrophobicContact CG2-CE3 3.28Å; I439-W441 HydrophobicContact CG2-CZ3 3.68Å; I439-T470 PolarHBondContact N-O 3.09Å; I439-L471 HydrophobicContact CB-CD2 3.86Å; I439-L471 HydrophobicContact CD1-CD2 4.07Å; I439-L471 HydrophobicContact CG1-CD2 4.22Å
440	Q	94	Very high	94.4	Very high	27 Å²	27	43.9 Å²	43.9	13%	0.126	23%	0.227	C	C	.	.			trans	-94	5.4	-170.7	-64.4	-172.4	-6.2	0	0	114.9	H379 L404 A406 S407 E438 D442 T496	H379-Q440 HydrophobicContact CB-CG 4.49Å; H379-Q440 PolarHBondContact CD2-NE2 2.85Å; H379-Q440 VanDerWaalsContact CD2-NE2 3.35Å; H379-Q440 PolarHBondContact CD2-OE1 3.34Å; L404-Q440 PolarHBondContact O-N 2.95Å; A406-Q440 CarbonylContact C-O 3.55Å; S407-Q440 WeakPolarHBondContact CA-O 3.11Å; S407-Q440 PolarHBondContact N-O 3.15Å; E438-Q440 HydrophobicContact CG-CG 3.99Å; E438-Q440 PolarHBondContact OE1-NE2 3.32Å; Q440-D442 PolarHBondContact O-N 3.27Å; Q440-T496 HydrophobicContact CG-CG2 4.37Å
441	W	92.3	Very high	94.2	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.011	24%	0.238	C	C	.	.			trans	-61.4	134.6	171.6	-68.8	-59.2	0	0	0	110.2	W389 L404 G405 V418 I423 I439 T445 I446 S472	W389-W441 AromaticContact CD1-CH2 3.64Å; W389-W441 AromaticContact CD1-CZ2 3.9Å; W389-W441 HydrophobicContact CG-CH2 4.43Å; L404-W441 HydrophobicContact CD1-CH2 3.91Å; L404-W441 HydrophobicContact CD1-CZ3 3.98Å; G405-W441 VanDerWaalsContact CA-CE2 3.46Å; V418-W441 HydrophobicContact CB-CD2 4.4Å; V418-W441 HydrophobicContact CG1-CD2 4.04Å; V418-W441 HydrophobicContact CG1-CE3 3.74Å; V418-W441 HydrophobicContact CG1-CH2 3.88Å; V418-W441 HydrophobicContact CG1-CZ2 4.12Å; V418-W441 HydrophobicContact CG1-CZ3 3.68Å; V418-W441 HydrophobicContact CG2-CD2 4.31Å; V418-W441 HydrophobicContact CG2-CZ2 4.28Å; I423-W441 HydrophobicContact CG1-CH2 4.45Å; I423-W441 HydrophobicContact CG1-CZ3 4.25Å; I439-W441 HydrophobicContact CG2-CD2 4.24Å; I439-W441 HydrophobicContact CG2-CE3 3.28Å; I439-W441 HydrophobicContact CG2-CZ3 3.68Å; W441-T445 HydrophobicContact CB-CG2 4.04Å; W441-T445 HydrophobicContact CG-CG2 3.95Å; W441-I446 HydrophobicContact CB-CG2 3.5Å; W441-I446 VanDerWaalsContact CB-CG2 3.5Å; W441-I446 HydrophobicContact CG-CG2 4.39Å; W441-S472 WeakPolarHBondContact O-CB 3.5Å; W441-S472 PolarHBondContact O-OG 3.34Å
442	D	89.7	Confident	94.1	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.118	24%	0.238	C	C	.	.			trans	-69.1	163.8	177.1	61.3	78.6	0	0	0	111.9	H408 Q440 D444 T445 I446	H408-D442 PolarHBondContact N-OD2 3.47Å; Q440-D442 PolarHBondContact O-N 3.27Å; D442-D444 PolarHBondContact O-N 3.07Å; D442-D444 WeakPolarHBondContact OD1-CA 3.34Å; D442-D444 WeakPolarHBondContact OD1-CB 3.49Å; D442-D444 PolarHBondContact OD1-N 3.15Å; D442-T445 VanDerWaalsContact CG-OG1 3.23Å; D442-T445 PolarHBondContact O-N 3.34Å; D442-T445 VanDerWaalsContact O-N 3.15Å; D442-T445 WeakPolarHBondContact OD1-CB 3.24Å; D442-T445 PolarHBondContact OD1-N 3.37Å; D442-T445 PolarHBondContact OD1-OG1 3.48Å; D442-T445 VanDerWaalsContact OD1-OG1 3.07Å; D442-T445 WeakPolarHBondContact OD2-CB 3.23Å; D442-T445 PolarHBondContact OD2-OG1 3.15Å; D442-I446 PolarHBondContact O-N 2.53Å
443	P	89.2	Confident	94	Very high	61 Å²	61	48.7 Å²	48.7	40%	0.396	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	-179.4	-28.6	38.3	0	0	0	115.4	D473	P443-D473 WeakPolarHBondContact CG-O 3.32Å
444	D	87	Confident	93.9	Very high	130 Å²	130	53.3 Å²	53.3	70%	0.695	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-27.7	-179.1	-70.1	-33.6	0	0	0	111.7	D442	D442-D444 PolarHBondContact O-N 3.07Å; D442-D444 WeakPolarHBondContact OD1-CA 3.34Å; D442-D444 WeakPolarHBondContact OD1-CB 3.49Å; D442-D444 PolarHBondContact OD1-N 3.15Å
445	T	88.8	Confident	93.9	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.043	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-32.9	177.3	-64.7	0	0	0	0	112.6	Y414 R417 V418 W441 D442	Y414-T445 HydrophobicContact CD2-CG2 3.63Å; Y414-T445 HydrophobicContact CE2-CG2 3.8Å; Y414-T445 HydrophobicContact CG-CG2 4.49Å; R417-T445 CarbonylContact C-O 3.56Å; R417-T445 VanDerWaalsContact CA-O 3.29Å; R417-T445 WeakPolarHBondContact CA-O 3.49Å; R417-T445 WeakPolarHBondContact CB-O 2.95Å; V418-T445 HydrophobicContact CG2-CG2 4.18Å; V418-T445 PolarHBondContact N-O 3.25Å; W441-T445 HydrophobicContact CB-CG2 4.04Å; W441-T445 HydrophobicContact CG-CG2 3.95Å; D442-T445 VanDerWaalsContact CG-OG1 3.23Å; D442-T445 PolarHBondContact O-N 3.34Å; D442-T445 VanDerWaalsContact O-N 3.15Å; D442-T445 WeakPolarHBondContact OD1-CB 3.24Å; D442-T445 PolarHBondContact OD1-N 3.37Å; D442-T445 PolarHBondContact OD1-OG1 3.48Å; D442-T445 VanDerWaalsContact OD1-OG1 3.07Å; D442-T445 WeakPolarHBondContact OD2-CB 3.23Å; D442-T445 PolarHBondContact OD2-OG1 3.15Å
446	I	91.7	Very high	93.8	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.5	-178.3	64.7	173.9	0	0	0	113.4	I420 W441 D442 F448 Y476	I420-I446 HydrophobicContact CD1-CD1 4.47Å; I420-I446 HydrophobicContact CD1-CG2 4.27Å; W441-I446 HydrophobicContact CB-CG2 3.5Å; W441-I446 VanDerWaalsContact CB-CG2 3.5Å; W441-I446 HydrophobicContact CG-CG2 4.39Å; D442-I446 PolarHBondContact O-N 2.53Å; I446-F448 HydrophobicContact CD1-CD1 4.32Å; I446-F448 HydrophobicContact CG1-CD1 4.4Å; I446-Y476 HydrophobicContact CD1-CD1 4.18Å; I446-Y476 HydrophobicContact CD1-CG 4Å
447	R	92.3	Very high	93.7	Very high	137 Å²	137	55.1 Å²	55.1	52%	0.517	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.7	170.4	-179.3	179.4	-179.8	-169.8	6.4	110.1	R417 V418 H419	R417-R447 HydrophobicContact CB-CB 3.73Å; V418-R447 PolarHBondContact O-N 3.46Å; H419-R447 PolarHBondContact CE1-NH1 3.44Å; H419-R447 PolarHBondContact NE2-NH1 2.98Å
448	F	94.6	Very high	93.7	Very high	64 Å²	64	60.8 Å²	60.8	28%	0.281	28%	0.284	S	S	.	.			trans	-144	176	178.7	68	-87.2	0	0	0	110.3	I420 I446 S452 K475 Y476 M479	I420-F448 HydrophobicContact CG2-CB 4.02Å; I446-F448 HydrophobicContact CD1-CD1 4.32Å; I446-F448 HydrophobicContact CG1-CD1 4.4Å; F448-S452 WeakPolarHBondContact CB-OG 3.48Å; F448-K475 HydrophobicContact CE2-CB 4.47Å; F448-K475 HydrophobicContact CZ-CB 3.67Å; F448-Y476 HydrophobicContact CB-CD2 3.56Å; F448-Y476 HydrophobicContact CB-CE2 3.72Å; F448-Y476 AromaticContact CD1-CD2 3.81Å; F448-Y476 HydrophobicContact CD1-CD2 3.81Å; F448-Y476 HydrophobicContact CD1-CG 4.19Å; F448-Y476 AromaticContact CD2-CD2 3.68Å; F448-Y476 HydrophobicContact CD2-CD2 3.68Å; F448-Y476 HydrophobicContact CD2-CE2 4.44Å; F448-Y476 HydrophobicContact CE1-CD2 4.44Å; F448-Y476 HydrophobicContact CE2-CD2 4.32Å; F448-Y476 AromaticContact CG-CD2 3.4Å; F448-Y476 HydrophobicContact CG-CD2 3.4Å; F448-Y476 VanDerWaalsContact CG-CD2 3.4Å; F448-Y476 HydrophobicContact CG-CE2 4.09Å; F448-Y476 HydrophobicContact CG-CG 4.23Å; F448-M479 HydrophobicContact CD2-CE 4.08Å; F448-M479 HydrophobicContact CE2-CE 3.93Å
449	S	93.2	Very high	93.6	Very high	54 Å²	54	60.6 Å²	60.6	38%	0.378	28%	0.283	S	S	.	.			trans	-145.5	177.6	-179.7	70	0	0	0	0	111.7	K451 S452	S449-K451 PolarHBondContact O-N 3.3Å; S449-K451 VanDerWaalsContact O-N 3.13Å; S449-K451 PolarHBondContact OG-N 2.91Å; S449-S452 PolarHBondContact N-OG 3.18Å; S449-S452 WeakPolarHBondContact O-CB 3.46Å; S449-S452 PolarHBondContact O-N 3.18Å; S449-S452 PolarHBondContact O-OG 3.3Å
450	D	89.5	Confident	93.5	Very high	120 Å²	120	63 Å²	63	64%	0.642	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.7	173.4	-65.3	-47	0	0	0	113.6	S452	D450-S452 PolarHBondContact O-N 2.93Å
451	K	93.5	Very high	93.6	Very high	154 Å²	154	67.1 Å²	67.1	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.1	175.6	-63.8	-178.8	-179.1	176	0	112.6	S449 R453 K454	S449-K451 PolarHBondContact O-N 3.3Å; S449-K451 VanDerWaalsContact O-N 3.13Å; S449-K451 PolarHBondContact OG-N 2.91Å; K451-R453 PolarHBondContact O-N 2.79Å; K451-R453 VanDerWaalsContact O-N 3.12Å; K451-K454 PolarHBondContact O-N 3.04Å; K451-K454 VanDerWaalsContact O-N 3.13Å
452	S	96.6	Very high	93.9	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-56.5	-28	179.9	-60.1	0	0	0	0	113.1	D421 F448 S449 D450 K454 F455 I456	D421-S452 WeakPolarHBondContact OD1-CB 3.09Å; D421-S452 PolarHBondContact OD1-OG 3.16Å; D421-S452 PolarHBondContact OD2-OG 3.3Å; F448-S452 WeakPolarHBondContact CB-OG 3.48Å; S449-S452 PolarHBondContact N-OG 3.18Å; S449-S452 WeakPolarHBondContact O-CB 3.46Å; S449-S452 PolarHBondContact O-N 3.18Å; S449-S452 PolarHBondContact O-OG 3.3Å; D450-S452 PolarHBondContact O-N 2.93Å; S452-K454 PolarHBondContact O-N 3.02Å; S452-K454 VanDerWaalsContact O-N 3.12Å; S452-F455 WeakPolarHBondContact O-CB 3.25Å; S452-F455 PolarHBondContact O-N 2.83Å; S452-I456 WeakPolarHBondContact O-CG1 3.38Å; S452-I456 PolarHBondContact O-N 3.04Å
453	R	95.9	Very high	94.3	Very high	112 Å²	112	72.1 Å²	72.1	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-51.3	-38.1	175.2	-63.7	-172.6	-173.2	105.5	1.1	113.4	K451 F455 I456 D457 M479 N483	K451-R453 PolarHBondContact O-N 2.79Å; K451-R453 VanDerWaalsContact O-N 3.12Å; R453-F455 VanDerWaalsContact C-N 3.34Å; R453-F455 PolarHBondContact O-N 3.27Å; R453-I456 PolarHBondContact O-N 3.32Å; R453-D457 VanDerWaalsContact O-CG 3.24Å; R453-D457 PolarHBondContact O-N 3.01Å; R453-M479 HydrophobicContact CG-CG 4.16Å; R453-M479 HydrophobicContact CG-SD 3.98Å; R453-N483 PolarHBondContact O-ND2 3.33Å
454	K	96	Very high	94.5	Very high	147 Å²	147	74.1 Å²	74.1	64%	0.639	35%	0.348	S	S	*	.	H	α-helix	trans	-65.5	-36.5	178.9	-65.9	-176.3	177.6	-175.1	0	112.7	K451 S452 R458	K451-K454 PolarHBondContact O-N 3.04Å; K451-K454 VanDerWaalsContact O-N 3.13Å; S452-K454 PolarHBondContact O-N 3.02Å; S452-K454 VanDerWaalsContact O-N 3.12Å; K454-R458 VanDerWaalsContact O-CG 3.3Å; K454-R458 WeakPolarHBondContact O-CG 3.23Å; K454-R458 PolarHBondContact O-N 2.83Å; K454-R458 VanDerWaalsContact O-N 3.08Å
455	F	97.3	Very high	95	Very high	51 Å²	51	74.1 Å²	74.1	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-73.6	-38.8	178.5	-61	-86.4	0	0	0	110.9	D421 L424 E425 S452 R453 R458 I459	D421-F455 HydrophobicContact CB-CB 4.37Å; D421-F455 HydrophobicContact CB-CD1 4.17Å; D421-F455 HydrophobicContact CB-CD2 3.8Å; D421-F455 HydrophobicContact CB-CE1 4.4Å; D421-F455 HydrophobicContact CB-CE2 4.03Å; D421-F455 HydrophobicContact CB-CG 3.85Å; D421-F455 HydrophobicContact CB-CZ 4.33Å; D421-F455 WeakPolarHBondContact O-CD1 3.38Å; L424-F455 HydrophobicContact CB-CB 4.46Å; E425-F455 HydrophobicContact CB-CD1 3.84Å; E425-F455 HydrophobicContact CB-CE1 4.13Å; E425-F455 HydrophobicContact CG-CD1 4.32Å; E425-F455 HydrophobicContact CG-CE1 4.3Å; E425-F455 WeakPolarHBondContact OE2-CD1 3.4Å; E425-F455 WeakPolarHBondContact OE2-CE1 3.15Å; S452-F455 WeakPolarHBondContact O-CB 3.25Å; S452-F455 PolarHBondContact O-N 2.83Å; R453-F455 VanDerWaalsContact C-N 3.34Å; R453-F455 PolarHBondContact O-N 3.27Å; F455-R458 WeakPolarHBondContact O-CB 3.34Å; F455-R458 PolarHBondContact O-N 3.42Å; F455-I459 PolarHBondContact O-N 3.39Å
456	I	96.9	Very high	95.4	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-43.5	173.4	-61.4	163.6	0	0	0	110.9	L424 S452 R453 R458 I459 R460 M479 V480 N483 F484	L424-I456 HydrophobicContact CD1-CG1 4.06Å; S452-I456 WeakPolarHBondContact O-CG1 3.38Å; S452-I456 PolarHBondContact O-N 3.04Å; R453-I456 PolarHBondContact O-N 3.32Å; I456-R458 VanDerWaalsContact C-N 3.33Å; I456-R458 PolarHBondContact O-N 3.41Å; I456-I459 VanDerWaalsContact O-CG2 3.26Å; I456-I459 WeakPolarHBondContact O-CG2 3.26Å; I456-R460 PolarHBondContact O-N 3.28Å; I456-R460 VanDerWaalsContact O-N 3.16Å; I456-M479 HydrophobicContact CD1-CG 4.12Å; I456-M479 HydrophobicContact CD1-SD 4.29Å; I456-V480 HydrophobicContact CD1-CB 4.32Å; I456-V480 HydrophobicContact CD1-CG2 3.52Å; I456-V480 HydrophobicContact CG1-CG2 3.88Å; I456-V480 HydrophobicContact CG2-CG1 4.22Å; I456-N483 HydrophobicContact CG2-CB 3.89Å; I456-F484 HydrophobicContact CG2-CD2 4.07Å; I456-F484 HydrophobicContact CG2-CE2 3.82Å
457	D	96	Very high	95.5	Very high	47 Å²	47	80.1 Å²	80.1	25%	0.251	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-40.9	174.4	-69.7	-33.3	0	0	0	111.8	R453 R460 I461 N483	R453-D457 VanDerWaalsContact O-CG 3.24Å; R453-D457 PolarHBondContact O-N 3.01Å; D457-R460 PolarHBondContact O-N 2.98Å; D457-R460 IonicContact OD1-CZ 3.82Å; D457-R460 IonicContact OD1-NH1 3.67Å; D457-R460 PolarHBondContact OD1-NH1 2.73Å; D457-R460 IonicContact OD1-NH2 3.81Å; D457-R460 PolarHBondContact OD1-NH2 3.28Å; D457-I461 WeakPolarHBondContact O-CB 3.35Å; D457-I461 WeakPolarHBondContact O-CD1 3.28Å; D457-I461 VanDerWaalsContact O-CG1 3.22Å; D457-I461 WeakPolarHBondContact O-CG1 3.3Å; D457-I461 PolarHBondContact O-N 2.88Å; D457-N483 PolarHBondContact OD1-ND2 3.32Å; D457-N483 PolarHBondContact OD1-OD1 3.07Å
458	R	97.2	Very high	95.8	Very high	119 Å²	119	73.8 Å²	73.8	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-48.1	179.3	-80.6	174.2	174.4	-176	-10.8	112.2	E425 A428 K454 F455 I456 R460 I461 K462	E425-R458 IonicContact OE1-CZ 2.78Å; E425-R458 IonicContact OE1-NE 3.64Å; E425-R458 IonicContact OE1-NH1 3.21Å; E425-R458 PolarHBondContact OE1-NH1 2.95Å; E425-R458 WeakPolarHBondContact OE2-CD 3.45Å; E425-R458 IonicContact OE2-CZ 2.85Å; E425-R458 IonicContact OE2-NE 2.84Å; E425-R458 IonicContact OE2-NH1 3.43Å; E425-R458 PolarHBondContact OE2-NH1 3.29Å; A428-R458 HydrophobicContact CB-CB 4.18Å; K454-R458 VanDerWaalsContact O-CG 3.3Å; K454-R458 WeakPolarHBondContact O-CG 3.23Å; K454-R458 PolarHBondContact O-N 2.83Å; K454-R458 VanDerWaalsContact O-N 3.08Å; F455-R458 WeakPolarHBondContact O-CB 3.34Å; F455-R458 PolarHBondContact O-N 3.42Å; I456-R458 VanDerWaalsContact C-N 3.33Å; I456-R458 PolarHBondContact O-N 3.41Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R458-R460 PolarHBondContact O-N 3.42Å; R458-I461 PolarHBondContact O-N 2.89Å; R458-K462 VanDerWaalsContact O-CB 3.25Å; R458-K462 WeakPolarHBondContact O-CB 3.43Å; R458-K462 VanDerWaalsContact O-CG 3.31Å; R458-K462 WeakPolarHBondContact O-CG 3.27Å; R458-K462 PolarHBondContact O-N 3.29Å
459	I	97.4	Very high	95.9	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-40.7	178.2	-166	171.8	0	0	0	111.2	L424 F427 A428 L434 L437 F455 I456 I461 K462 C463 L466	L424-I459 HydrophobicContact CD1-CG2 4.41Å; L424-I459 HydrophobicContact CD2-CD1 3.87Å; F427-I459 HydrophobicContact CB-CD1 4.07Å; A428-I459 HydrophobicContact CB-CB 4.14Å; L434-I459 HydrophobicContact CD2-CD1 4.29Å; L437-I459 HydrophobicContact CD2-CD1 3.8Å; F455-I459 PolarHBondContact O-N 3.39Å; I456-I459 VanDerWaalsContact O-CG2 3.26Å; I456-I459 WeakPolarHBondContact O-CG2 3.26Å; I459-I461 VanDerWaalsContact C-N 3.34Å; I459-I461 PolarHBondContact O-N 3.38Å; I459-K462 PolarHBondContact O-N 2.99Å; I459-C463 HydrophobicContact CG1-CB 4.35Å; I459-C463 VanDerWaalsContact O-CB 3.24Å; I459-C463 WeakPolarHBondContact O-CB 3.28Å; I459-C463 PolarHBondContact O-N 3.25Å; I459-L466 HydrophobicContact CG1-CD2 4.37Å
460	R	95.3	Very high	96.1	Very high	53 Å²	53	68.2 Å²	68.2	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-43.8	174.6	-175.7	-176.1	65.8	-123.9	-7.9	112.3	I456 D457 R458 N483 F484	I456-R460 PolarHBondContact O-N 3.28Å; I456-R460 VanDerWaalsContact O-N 3.16Å; D457-R460 PolarHBondContact O-N 2.98Å; D457-R460 IonicContact OD1-CZ 3.82Å; D457-R460 IonicContact OD1-NH1 3.67Å; D457-R460 PolarHBondContact OD1-NH1 2.73Å; D457-R460 IonicContact OD1-NH2 3.81Å; D457-R460 PolarHBondContact OD1-NH2 3.28Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R458-R460 PolarHBondContact O-N 3.42Å; R460-N483 PolarHBondContact NH1-OD1 2.95Å; R460-F484 HydrophobicContact CB-CE1 3.99Å; R460-F484 HydrophobicContact CB-CE2 4.38Å; R460-F484 HydrophobicContact CB-CZ 3.73Å; R460-F484 HydrophobicContact CG-CD1 4.31Å; R460-F484 HydrophobicContact CG-CE1 3.73Å; R460-F484 HydrophobicContact CG-CZ 4.02Å
461	I	95.8	Very high	96.4	Very high	114 Å²	114	62.7 Å²	62.7	59%	0.585	28%	0.28	S	S	*	.	H	α-helix	trans	-76.3	-40.9	-176.9	-68.8	166.2	0	0	0	111.7	D457 R458 I459	D457-I461 WeakPolarHBondContact O-CB 3.35Å; D457-I461 WeakPolarHBondContact O-CD1 3.28Å; D457-I461 VanDerWaalsContact O-CG1 3.22Å; D457-I461 WeakPolarHBondContact O-CG1 3.3Å; D457-I461 PolarHBondContact O-N 2.88Å; R458-I461 PolarHBondContact O-N 2.89Å; I459-I461 VanDerWaalsContact C-N 3.34Å; I459-I461 PolarHBondContact O-N 3.38Å
462	K	97.7	Very high	96.5	Very high	129 Å²	129	56.2 Å²	56.2	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-87.1	-20.7	-172.8	-65.3	-65.4	-169.9	175.5	0	114	A428 R458 I459 P464	A428-K462 HydrophobicContact CB-CB 4.08Å; A428-K462 HydrophobicContact CB-CG 4.38Å; A428-K462 WeakPolarHBondContact O-CB 3.04Å; R458-K462 VanDerWaalsContact O-CB 3.25Å; R458-K462 WeakPolarHBondContact O-CB 3.43Å; R458-K462 VanDerWaalsContact O-CG 3.31Å; R458-K462 WeakPolarHBondContact O-CG 3.27Å; R458-K462 PolarHBondContact O-N 3.29Å; I459-K462 PolarHBondContact O-N 2.99Å; K462-P464 WeakPolarHBondContact O-CD 3.47Å
463	C	97.5	Very high	96.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.007	28%	0.277	C	S	.	.			trans	-110.9	71.4	172.9	-55.5	0	0	0	0	109.4	C431 L434 I459 R465 L466	C431-C463 PolarHBondContact O-SG 3.24Å; L434-C463 HydrophobicContact CB-CB 4.22Å; I459-C463 HydrophobicContact CG1-CB 4.35Å; I459-C463 VanDerWaalsContact O-CB 3.24Å; I459-C463 WeakPolarHBondContact O-CB 3.28Å; I459-C463 PolarHBondContact O-N 3.25Å; C463-R465 PolarHBondContact O-N 3.31Å; C463-L466 HydrophobicContact CB-CB 4.19Å; C463-L466 VanDerWaalsContact O-CB 3.22Å; C463-L466 WeakPolarHBondContact O-CB 3.46Å; C463-L466 PolarHBondContact O-N 2.82Å
464	P	94.4	Very high	96.1	Very high	102 Å²	102	56.3 Å²	56.3	66%	0.662	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.4	-173	28.8	-37.8	0	0	0	113.9	K462	K462-P464 WeakPolarHBondContact O-CD 3.47Å
465	R	96.2	Very high	96.1	Very high	131 Å²	131	57.5 Å²	57.5	49%	0.494	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.2	177.3	-61.1	-174.2	176.9	174.4	2.3	113.3	N433 L434 E435 C463 K467	N433-R465 PolarHBondContact OD1-NH1 3.13Å; L434-R465 CarbonylContact O-C 3.28Å; L434-R465 VanDerWaalsContact O-C 3.25Å; E435-R465 WeakPolarHBondContact CA-O 3.24Å; E435-R465 HydrophobicContact CG-CB 4.16Å; C463-R465 PolarHBondContact O-N 3.31Å; R465-K467 WeakPolarHBondContact O-CG 3.17Å; R465-K467 PolarHBondContact O-N 3.36Å; R465-K467 VanDerWaalsContact O-N 3.14Å
466	L	97.3	Very high	96.1	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.084	26%	0.264	C	S	.	.			trans	-65.3	112.3	-176.9	-172.1	67.5	0	0	0	110.6	L434 L437 I459 C463 S468 L469 F484 V492	L434-L466 HydrophobicContact CD2-CD1 4.21Å; L434-L466 HydrophobicContact CG-CD1 4.1Å; L434-L466 WeakPolarHBondContact O-CA 3.38Å; L434-L466 PolarHBondContact O-N 3.2Å; L434-L466 VanDerWaalsContact O-N 3.12Å; L437-L466 HydrophobicContact CB-CD1 4.38Å; I459-L466 HydrophobicContact CG1-CD2 4.37Å; C463-L466 HydrophobicContact CB-CB 4.19Å; C463-L466 VanDerWaalsContact O-CB 3.22Å; C463-L466 WeakPolarHBondContact O-CB 3.46Å; C463-L466 PolarHBondContact O-N 2.82Å; L466-S468 VanDerWaalsContact CD1-O 3.29Å; L466-S468 WeakPolarHBondContact CD1-O 3.37Å; L466-L469 HydrophobicContact CD2-CB 4.38Å; L466-F484 HydrophobicContact CD2-CZ 4.13Å; L466-V492 HydrophobicContact CD2-CG1 4.35Å; L466-V492 HydrophobicContact CG-CG1 4.11Å
467	K	95.4	Very high	96	Very high	131 Å²	131	56.3 Å²	56.3	57%	0.57	27%	0.268	S	S	*	.			trans	-106.1	-21.2	179.4	-65.9	162.3	-168.1	163.4	0	112.3	E435 R465	E435-K467 PolarHBondContact O-N 2.98Å; E435-K467 IonicContact OE2-NZ 3.35Å; E435-K467 PolarHBondContact OE2-NZ 3.47Å; R465-K467 WeakPolarHBondContact O-CG 3.17Å; R465-K467 PolarHBondContact O-N 3.36Å; R465-K467 VanDerWaalsContact O-N 3.14Å
468	S	96.8	Very high	96	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.028	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126	179.2	-161.6	0	0	0	0	111.4	E435 A436 L437 L466 T470 V492 R494	E435-S468 PolarHBondContact O-N 3.37Å; E435-S468 VanDerWaalsContact O-N 3.13Å; A436-S468 WeakPolarHBondContact CA-O 3.44Å; L437-S468 PolarHBondContact N-O 3.34Å; L466-S468 VanDerWaalsContact CD1-O 3.29Å; L466-S468 WeakPolarHBondContact CD1-O 3.37Å; S468-T470 PolarHBondContact OG-OG1 3.07Å; S468-V492 CarbonylContact C-O 3.6Å; S468-V492 VanDerWaalsContact CA-O 3.29Å; S468-V492 WeakPolarHBondContact CA-O 3.15Å; S468-R494 WeakPolarHBondContact OG-CD 3.41Å; S468-R494 PolarHBondContact OG-NE 2.97Å
469	L	97.8	Very high	96	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	99.2	166.3	178	55.4	0	0	0	108	L437 L466 L471 V480 F484 V492 V493 R494	L437-L469 HydrophobicContact CB-CD1 4.02Å; L437-L469 HydrophobicContact CD2-CD1 3.91Å; L437-L469 HydrophobicContact CG-CD1 4.09Å; L437-L469 CarbonylContact O-C 3.15Å; L437-L469 WeakPolarHBondContact O-CA 3.39Å; L466-L469 HydrophobicContact CD2-CB 4.38Å; L469-L471 HydrophobicContact CD1-CD2 4.16Å; L469-L471 HydrophobicContact CD1-CG 4.46Å; L469-L471 HydrophobicContact CG-CD1 4.36Å; L469-L471 HydrophobicContact CG-CD2 4.5Å; L469-L471 HydrophobicContact CG-CG 4.3Å; L469-V480 HydrophobicContact CD2-CG1 3.58Å; L469-V480 HydrophobicContact CG-CG1 4.42Å; L469-F484 HydrophobicContact CD2-CE2 4.13Å; L469-F484 HydrophobicContact CD2-CZ 4.46Å; L469-V492 HydrophobicContact CB-CG1 4.34Å; L469-V492 PolarHBondContact N-O 3.01Å; L469-V493 WeakPolarHBondContact O-CA 3.45Å; L469-R494 PolarHBondContact O-N 3.29Å
470	T	97.5	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.6	-175.4	-49.5	0	0	0	0	109.7	L437 E438 I439 S468 R494 T496 Y499	L437-T470 PolarHBondContact O-N 3.47Å; E438-T470 WeakPolarHBondContact CA-O 3.13Å; E438-T470 HydrophobicContact CG-CG2 3.93Å; I439-T470 PolarHBondContact N-O 3.09Å; S468-T470 PolarHBondContact OG-OG1 3.07Å; T470-R494 WeakPolarHBondContact CA-O 3.42Å; T470-R494 HydrophobicContact CG2-CB 4.35Å; T470-T496 HydrophobicContact CG2-CG2 3.89Å; T470-Y499 HydrophobicContact CG2-CD1 4.36Å; T470-Y499 WeakPolarHBondContact OG1-CD1 3.04Å
471	L	96.6	Very high	96	Very high	4 Å²	4	55 Å²	55	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.2	-176.2	-57.9	170.3	0	0	0	110.4	I420 I439 L469 Y476 Y477 V480 R494 T495 T496	I420-L471 HydrophobicContact CD1-CD2 4.45Å; I439-L471 HydrophobicContact CB-CD2 3.86Å; I439-L471 HydrophobicContact CD1-CD2 4.07Å; I439-L471 HydrophobicContact CG1-CD2 4.22Å; L469-L471 HydrophobicContact CD1-CD2 4.16Å; L469-L471 HydrophobicContact CD1-CG 4.46Å; L469-L471 HydrophobicContact CG-CD1 4.36Å; L469-L471 HydrophobicContact CG-CD2 4.5Å; L469-L471 HydrophobicContact CG-CG 4.3Å; L471-Y476 HydrophobicContact CD1-CD1 4.04Å; L471-Y476 HydrophobicContact CD1-CE1 4.13Å; L471-Y477 HydrophobicContact CB-CD2 4.3Å; L471-V480 HydrophobicContact CD1-CB 3.89Å; L471-V480 HydrophobicContact CD1-CG1 3.96Å; L471-V480 HydrophobicContact CD1-CG2 3.69Å; L471-R494 PolarHBondContact N-O 3.44Å; L471-T495 VanDerWaalsContact O-CA 3.28Å; L471-T495 WeakPolarHBondContact O-CA 3.46Å; L471-T496 PolarHBondContact O-N 2.85Å
472	S	93.8	Very high	96	Very high	18 Å²	18	50.6 Å²	50.6	13%	0.126	25%	0.249	C	C	.	.			trans	-60.8	140.7	167.3	-54.7	0	0	0	0	111.2	W441 Y477	W441-S472 WeakPolarHBondContact O-CB 3.5Å; W441-S472 PolarHBondContact O-OG 3.34Å; S472-Y477 WeakPolarHBondContact O-CB 3.34Å
473	D	92.5	Very high	95.8	Very high	90 Å²	90	45.3 Å²	45.3	48%	0.481	23%	0.227	S	C	.	.	S	Bend	trans	-60.4	140.2	178	-164.3	4.8	0	0	0	111.5	P443	P443-D473 WeakPolarHBondContact CG-O 3.32Å
474	G	93.4	Very high	95.7	Very high	24 Å²	24	45.4 Å²	45.4	25%	0.247	23%	0.228	C	C	.	.	S	Bend	trans	147.4	-173.4	-178.5	0	0	0	0	0	114.6	Y476 Y477 E478	G474-Y476 VanDerWaalsContact C-N 3.25Å; G474-Y476 PolarHBondContact O-N 3.38Å; G474-Y476 VanDerWaalsContact O-N 3.15Å; G474-Y477 WeakPolarHBondContact O-CB 3.44Å; G474-Y477 PolarHBondContact O-N 3.27Å; G474-Y477 VanDerWaalsContact O-N 3.11Å; G474-E478 PolarHBondContact O-N 2.77Å
475	K	95.4	Very high	95.7	Very high	172 Å²	172	45 Å²	45	75%	0.748	22%	0.217	S	C	*	.	H	α-helix	trans	-57.7	-33.9	-173.5	-71.6	-176.8	-177.7	178.4	0	114.1	F448 M479	F448-K475 HydrophobicContact CE2-CB 4.47Å; F448-K475 HydrophobicContact CZ-CB 3.67Å; K475-M479 PolarHBondContact O-N 3.33Å
476	Y	96	Very high	95.6	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-45.9	177.5	-171	-107.8	0	0	0	111.6	I420 D421 L424 I446 F448 L471 G474 E478 M479 V480	I420-Y476 HydrophobicContact CD1-CD1 3.79Å; I420-Y476 HydrophobicContact CD1-CE1 3.37Å; I420-Y476 HydrophobicContact CG1-CE1 3.86Å; I420-Y476 HydrophobicContact CG2-CD1 4.44Å; I420-Y476 HydrophobicContact CG2-CD2 4.2Å; I420-Y476 HydrophobicContact CG2-CE1 3.96Å; I420-Y476 HydrophobicContact CG2-CE2 3.66Å; D421-Y476 PolarHBondContact OD1-OH 3.21Å; L424-Y476 WeakPolarHBondContact CD1-OH 3.46Å; I446-Y476 HydrophobicContact CD1-CD1 4.18Å; I446-Y476 HydrophobicContact CD1-CG 4Å; F448-Y476 HydrophobicContact CB-CD2 3.56Å; F448-Y476 HydrophobicContact CB-CE2 3.72Å; F448-Y476 AromaticContact CD1-CD2 3.81Å; F448-Y476 HydrophobicContact CD1-CD2 3.81Å; F448-Y476 HydrophobicContact CD1-CG 4.19Å; F448-Y476 AromaticContact CD2-CD2 3.68Å; F448-Y476 HydrophobicContact CD2-CD2 3.68Å; F448-Y476 HydrophobicContact CD2-CE2 4.44Å; F448-Y476 HydrophobicContact CE1-CD2 4.44Å; F448-Y476 HydrophobicContact CE2-CD2 4.32Å; F448-Y476 AromaticContact CG-CD2 3.4Å; F448-Y476 HydrophobicContact CG-CD2 3.4Å; F448-Y476 VanDerWaalsContact CG-CD2 3.4Å; F448-Y476 HydrophobicContact CG-CE2 4.09Å; F448-Y476 HydrophobicContact CG-CG 4.23Å; L471-Y476 HydrophobicContact CD1-CD1 4.04Å; L471-Y476 HydrophobicContact CD1-CE1 4.13Å; G474-Y476 VanDerWaalsContact C-N 3.25Å; G474-Y476 PolarHBondContact O-N 3.38Å; G474-Y476 VanDerWaalsContact O-N 3.15Å; Y476-E478 VanDerWaalsContact C-N 3.32Å; Y476-E478 PolarHBondContact O-N 3.11Å; Y476-M479 WeakPolarHBondContact O-CB 3.31Å; Y476-M479 PolarHBondContact O-N 2.96Å; Y476-M479 VanDerWaalsContact O-N 3.11Å; Y476-V480 HydrophobicContact CD1-CG2 3.96Å; Y476-V480 HydrophobicContact CE1-CG2 3.66Å; Y476-V480 HydrophobicContact CG-CG2 4.48Å; Y476-V480 VanDerWaalsContact O-CG2 3.31Å; Y476-V480 WeakPolarHBondContact O-CG2 3.35Å; Y476-V480 PolarHBondContact O-N 3.45Å
477	Y	96.2	Very high	95.3	Very high	21 Å²	21	49.3 Å²	49.3	8%	0.082	24%	0.239	C	C	.	.	H	α-helix	trans	-53.5	-49	174	163.9	-96.7	0	0	0	111.3	L471 S472 G474 M479 V480 K481 V493 R494	L471-Y477 HydrophobicContact CB-CD2 4.3Å; S472-Y477 WeakPolarHBondContact O-CB 3.34Å; G474-Y477 WeakPolarHBondContact O-CB 3.44Å; G474-Y477 PolarHBondContact O-N 3.27Å; G474-Y477 VanDerWaalsContact O-N 3.11Å; Y477-M479 VanDerWaalsContact C-N 3.3Å; Y477-M479 PolarHBondContact O-N 3.25Å; Y477-V480 PolarHBondContact O-N 2.85Å; Y477-V480 VanDerWaalsContact O-N 3.13Å; Y477-K481 HydrophobicContact CE1-CD 4Å; Y477-K481 WeakPolarHBondContact O-CB 3.4Å; Y477-K481 PolarHBondContact O-N 3.33Å; Y477-V493 HydrophobicContact CD2-CG1 3.96Å; Y477-V493 HydrophobicContact CE2-CG1 3.78Å; Y477-R494 WeakPolarHBondContact CE2-O 3.42Å
478	E	96.1	Very high	95.1	Very high	101 Å²	101	51.6 Å²	51.6	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-60.4	-37.9	177.6	-70.3	-58.3	149	0	0	112.8	G474 Y476 G482	G474-E478 PolarHBondContact O-N 2.77Å; Y476-E478 VanDerWaalsContact C-N 3.32Å; Y476-E478 PolarHBondContact O-N 3.11Å; E478-G482 PolarHBondContact O-N 3.41Å
479	M	96.3	Very high	94.6	Very high	30 Å²	30	53.9 Å²	53.9	15%	0.148	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-42.5	175.2	-174	-178.1	-59.5	0	0	112.1	F448 R453 I456 K475 Y476 Y477 N483	F448-M479 HydrophobicContact CD2-CE 4.08Å; F448-M479 HydrophobicContact CE2-CE 3.93Å; R453-M479 HydrophobicContact CG-CG 4.16Å; R453-M479 HydrophobicContact CG-SD 3.98Å; I456-M479 HydrophobicContact CD1-CG 4.12Å; I456-M479 HydrophobicContact CD1-SD 4.29Å; K475-M479 PolarHBondContact O-N 3.33Å; Y476-M479 WeakPolarHBondContact O-CB 3.31Å; Y476-M479 PolarHBondContact O-N 2.96Å; Y476-M479 VanDerWaalsContact O-N 3.11Å; Y477-M479 VanDerWaalsContact C-N 3.3Å; Y477-M479 PolarHBondContact O-N 3.25Å; M479-N483 WeakPolarHBondContact O-CB 3.41Å; M479-N483 PolarHBondContact O-N 3.44Å
480	V	97	Very high	93.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-49.8	178.6	177	0	0	0	0	110	I456 L469 L471 Y476 Y477 G482 N483 F484 V493	I456-V480 HydrophobicContact CD1-CB 4.32Å; I456-V480 HydrophobicContact CD1-CG2 3.52Å; I456-V480 HydrophobicContact CG1-CG2 3.88Å; I456-V480 HydrophobicContact CG2-CG1 4.22Å; L469-V480 HydrophobicContact CD2-CG1 3.58Å; L469-V480 HydrophobicContact CG-CG1 4.42Å; L471-V480 HydrophobicContact CD1-CB 3.89Å; L471-V480 HydrophobicContact CD1-CG1 3.96Å; L471-V480 HydrophobicContact CD1-CG2 3.69Å; Y476-V480 HydrophobicContact CD1-CG2 3.96Å; Y476-V480 HydrophobicContact CE1-CG2 3.66Å; Y476-V480 HydrophobicContact CG-CG2 4.48Å; Y476-V480 VanDerWaalsContact O-CG2 3.31Å; Y476-V480 WeakPolarHBondContact O-CG2 3.35Å; Y476-V480 PolarHBondContact O-N 3.45Å; Y477-V480 PolarHBondContact O-N 2.85Å; Y477-V480 VanDerWaalsContact O-N 3.13Å; V480-G482 PolarHBondContact O-N 3.36Å; V480-N483 PolarHBondContact O-N 3.22Å; V480-N483 VanDerWaalsContact O-N 3.12Å; V480-F484 HydrophobicContact CG1-CD2 3.99Å; V480-F484 HydrophobicContact CG1-CE2 4.07Å; V480-F484 WeakPolarHBondContact O-CD2 3.46Å; V480-F484 PolarHBondContact O-N 3.37Å; V480-V493 HydrophobicContact CB-CG1 4.36Å; V480-V493 HydrophobicContact CG1-CG1 3.89Å; V480-V493 HydrophobicContact CG1-CG2 3.79Å
481	K	96.2	Very high	93.2	Very high	62 Å²	62	67.9 Å²	67.9	27%	0.27	33%	0.33	S	S	.	.	H	α-helix	trans	-54.8	-54.2	177	-178.2	179.7	179.2	-179.4	0	111.7	Y477 N483 F484 E485 V493	Y477-K481 HydrophobicContact CE1-CD 4Å; Y477-K481 WeakPolarHBondContact O-CB 3.4Å; Y477-K481 PolarHBondContact O-N 3.33Å; K481-N483 PolarHBondContact O-N 3.4Å; K481-N483 VanDerWaalsContact O-N 3.16Å; K481-F484 PolarHBondContact O-N 3.15Å; K481-F484 VanDerWaalsContact O-N 3.12Å; K481-E485 WeakPolarHBondContact CE-OE1 3.46Å; K481-E485 HydrophobicContact CG-CG 4.37Å; K481-E485 WeakPolarHBondContact CG-OE1 3.22Å; K481-E485 WeakPolarHBondContact O-CG 3.47Å; K481-E485 PolarHBondContact O-N 3.47Å; K481-V493 HydrophobicContact CB-CB 4.38Å; K481-V493 HydrophobicContact CB-CG1 4.1Å
482	G	95.5	Very high	93	Very high	20 Å²	20	68.4 Å²	68.4	21%	0.206	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-26.7	179.2	0	0	0	0	0	113.7	E478 V480 R486	E478-G482 PolarHBondContact O-N 3.41Å; V480-G482 PolarHBondContact O-N 3.36Å; G482-R486 WeakPolarHBondContact O-CD 3.38Å; G482-R486 WeakPolarHBondContact O-CG 3.37Å; G482-R486 PolarHBondContact O-N 2.99Å
483	N	94.4	Very high	93.2	Very high	18 Å²	18	68.2 Å²	68.2	10%	0.096	33%	0.332	C	S	.	.	H	α-helix	trans	-75.4	-44.4	174.2	-163.2	-22.3	0	0	0	111.8	R453 I456 D457 R460 M479 V480 K481 R486 A487	R453-N483 PolarHBondContact O-ND2 3.33Å; I456-N483 HydrophobicContact CG2-CB 3.89Å; D457-N483 PolarHBondContact OD1-ND2 3.32Å; D457-N483 PolarHBondContact OD1-OD1 3.07Å; R460-N483 PolarHBondContact NH1-OD1 2.95Å; M479-N483 WeakPolarHBondContact O-CB 3.41Å; M479-N483 PolarHBondContact O-N 3.44Å; V480-N483 PolarHBondContact O-N 3.22Å; V480-N483 VanDerWaalsContact O-N 3.12Å; K481-N483 PolarHBondContact O-N 3.4Å; K481-N483 VanDerWaalsContact O-N 3.16Å; N483-R486 PolarHBondContact O-N 3.1Å; N483-A487 PolarHBondContact O-N 2.96Å
484	F	95.5	Very high	93.3	Very high	4 Å²	4	68 Å²	68	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-36.1	176.3	-87.6	-98.5	0	0	0	113.1	I456 R460 L466 L469 V480 K481 A487 E488 C489 V492 V493	I456-F484 HydrophobicContact CG2-CD2 4.07Å; I456-F484 HydrophobicContact CG2-CE2 3.82Å; R460-F484 HydrophobicContact CB-CE1 3.99Å; R460-F484 HydrophobicContact CB-CE2 4.38Å; R460-F484 HydrophobicContact CB-CZ 3.73Å; R460-F484 HydrophobicContact CG-CD1 4.31Å; R460-F484 HydrophobicContact CG-CE1 3.73Å; R460-F484 HydrophobicContact CG-CZ 4.02Å; L466-F484 HydrophobicContact CD2-CZ 4.13Å; L469-F484 HydrophobicContact CD2-CE2 4.13Å; L469-F484 HydrophobicContact CD2-CZ 4.46Å; V480-F484 HydrophobicContact CG1-CD2 3.99Å; V480-F484 HydrophobicContact CG1-CE2 4.07Å; V480-F484 WeakPolarHBondContact O-CD2 3.46Å; V480-F484 PolarHBondContact O-N 3.37Å; K481-F484 PolarHBondContact O-N 3.15Å; K481-F484 VanDerWaalsContact O-N 3.12Å; F484-A487 CarbonylContact O-C 3.44Å; F484-A487 PolarHBondContact O-N 2.96Å; F484-E488 PolarHBondContact O-N 2.69Å; F484-C489 HydrophobicContact CD1-CB 3.93Å; F484-C489 CarbonylContact O-C 3.17Å; F484-C489 PolarHBondContact O-N 3.24Å; F484-V492 HydrophobicContact CD1-CB 3.75Å; F484-V492 HydrophobicContact CD1-CG1 3.95Å; F484-V492 HydrophobicContact CD1-CG2 4.17Å; F484-V492 HydrophobicContact CE1-CB 3.94Å; F484-V492 HydrophobicContact CE1-CG1 3.61Å; F484-V492 HydrophobicContact CE1-CG2 4.32Å; F484-V492 HydrophobicContact CZ-CG1 4.26Å; F484-V493 HydrophobicContact CB-CG2 3.63Å; F484-V493 HydrophobicContact CD1-CG2 4.25Å; F484-V493 HydrophobicContact CD2-CG2 3.52Å; F484-V493 HydrophobicContact CE2-CG2 4.21Å; F484-V493 HydrophobicContact CG-CG2 3.53Å
485	E	94.5	Very high	93.4	Very high	94 Å²	94	67.5 Å²	67.5	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-43.4	174.5	-73.9	175.3	170.2	0	0	112.1	K481 A487 E488 P490	K481-E485 WeakPolarHBondContact CE-OE1 3.46Å; K481-E485 HydrophobicContact CG-CG 4.37Å; K481-E485 WeakPolarHBondContact CG-OE1 3.22Å; K481-E485 WeakPolarHBondContact O-CG 3.47Å; K481-E485 PolarHBondContact O-N 3.47Å; E485-A487 PolarHBondContact O-N 2.8Å; E485-E488 PolarHBondContact O-N 3.06Å; E485-P490 HydrophobicContact CG-CB 4.12Å
486	R	93	Very high	93.2	Very high	202 Å²	202	61.4 Å²	61.4	76%	0.762	29%	0.293	S	S	*	.	H	α-helix	trans	-63.8	-24.7	175	-72.7	170.5	-170.6	-171.8	1.2	113.4	G482 N483 E488	G482-R486 WeakPolarHBondContact O-CD 3.38Å; G482-R486 WeakPolarHBondContact O-CG 3.37Å; G482-R486 PolarHBondContact O-N 2.99Å; N483-R486 PolarHBondContact O-N 3.1Å; R486-E488 VanDerWaalsContact C-N 3.29Å
487	A	92.3	Very high	92.9	Very high	35 Å²	35	66.2 Å²	66.2	29%	0.289	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	14.2	175.6	0	0	0	0	0	112.8	N483 F484 E485 C489	N483-A487 PolarHBondContact O-N 2.96Å; F484-A487 CarbonylContact O-C 3.44Å; F484-A487 PolarHBondContact O-N 2.96Å; E485-A487 PolarHBondContact O-N 2.8Å; A487-C489 PolarHBondContact O-N 3.01Å
488	E	89.6	Confident	92.5	Very high	179 Å²	179	70.3 Å²	70.3	84%	0.836	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	24.1	179.1	-54.1	-177.9	165.1	0	0	114.1	F484 E485 R486 P490	F484-E488 PolarHBondContact O-N 2.69Å; E485-E488 PolarHBondContact O-N 3.06Å; R486-E488 VanDerWaalsContact C-N 3.29Å; E488-P490 VanDerWaalsContact O-CD 3.23Å; E488-P490 WeakPolarHBondContact O-CD 3.3Å
489	C	86.9	Confident	92.2	Very high	51 Å²	51	69.4 Å²	69.4	35%	0.345	34%	0.343	S	S	.	.			trans	-115.6	52.2	178	-66.5	0	0	0	0	112.8	F484 A487 R491 V492	F484-C489 HydrophobicContact CD1-CB 3.93Å; F484-C489 CarbonylContact O-C 3.17Å; F484-C489 PolarHBondContact O-N 3.24Å; A487-C489 PolarHBondContact O-N 3.01Å; C489-R491 PolarHBondContact O-N 3.42Å; C489-R491 VanDerWaalsContact O-N 3.11Å; C489-V492 HydrophobicContact CB-CG2 4.12Å; C489-V492 PolarHBondContact O-N 3.46Å
490	P	80.1	Confident	92	Very high	79 Å²	79	74.3 Å²	74.3	51%	0.513	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.6	-168.1	27.9	-36.9	0	0	0	114.6	E485 E488	E485-P490 HydrophobicContact CG-CB 4.12Å; E488-P490 VanDerWaalsContact O-CD 3.23Å; E488-P490 WeakPolarHBondContact O-CD 3.3Å
491	R	86.6	Confident	91.9	Very high	216 Å²	216	74.6 Å²	74.6	82%	0.815	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.1	-173.5	-66.1	-175.2	174.9	-174	-2.1	114.9	C489 R494	C489-R491 PolarHBondContact O-N 3.42Å; C489-R491 VanDerWaalsContact O-N 3.11Å; R491-R494 PolarHBondContact O-NH2 2.96Å
492	V	92.4	Very high	91.8	Very high	16 Å²	16	74 Å²	74	10%	0.097	37%	0.374	C	S	.	.	S	Bend	trans	-81	-40.1	-175.4	178.5	0	0	0	0	111.6	L466 S468 L469 F484 C489	L466-V492 HydrophobicContact CD2-CG1 4.35Å; L466-V492 HydrophobicContact CG-CG1 4.11Å; S468-V492 CarbonylContact C-O 3.6Å; S468-V492 VanDerWaalsContact CA-O 3.29Å; S468-V492 WeakPolarHBondContact CA-O 3.15Å; L469-V492 HydrophobicContact CB-CG1 4.34Å; L469-V492 PolarHBondContact N-O 3.01Å; F484-V492 HydrophobicContact CD1-CB 3.75Å; F484-V492 HydrophobicContact CD1-CG1 3.95Å; F484-V492 HydrophobicContact CD1-CG2 4.17Å; F484-V492 HydrophobicContact CE1-CB 3.94Å; F484-V492 HydrophobicContact CE1-CG1 3.61Å; F484-V492 HydrophobicContact CE1-CG2 4.32Å; F484-V492 HydrophobicContact CZ-CG1 4.26Å; C489-V492 HydrophobicContact CB-CG2 4.12Å; C489-V492 PolarHBondContact O-N 3.46Å
493	V	96.6	Very high	91.9	Very high	13 Å²	13	73 Å²	73	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.7	-171.3	-171.9	0	0	0	0	110.4	L469 Y477 V480 K481 F484	L469-V493 WeakPolarHBondContact O-CA 3.45Å; Y477-V493 HydrophobicContact CD2-CG1 3.96Å; Y477-V493 HydrophobicContact CE2-CG1 3.78Å; V480-V493 HydrophobicContact CB-CG1 4.36Å; V480-V493 HydrophobicContact CG1-CG1 3.89Å; V480-V493 HydrophobicContact CG1-CG2 3.79Å; K481-V493 HydrophobicContact CB-CB 4.38Å; K481-V493 HydrophobicContact CB-CG1 4.1Å; F484-V493 HydrophobicContact CB-CG2 3.63Å; F484-V493 HydrophobicContact CD1-CG2 4.25Å; F484-V493 HydrophobicContact CD2-CG2 3.52Å; F484-V493 HydrophobicContact CE2-CG2 4.21Å; F484-V493 HydrophobicContact CG-CG2 3.53Å
494	R	95.3	Very high	92	Very high	87 Å²	87	74.9 Å²	74.9	33%	0.328	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.8	-174.6	-55.6	-174.2	-176.7	-98.5	-6.9	111.2	S468 L469 T470 L471 Y477 R491 Y499	S468-R494 WeakPolarHBondContact OG-CD 3.41Å; S468-R494 PolarHBondContact OG-NE 2.97Å; L469-R494 PolarHBondContact O-N 3.29Å; T470-R494 WeakPolarHBondContact CA-O 3.42Å; T470-R494 HydrophobicContact CG2-CB 4.35Å; L471-R494 PolarHBondContact N-O 3.44Å; Y477-R494 WeakPolarHBondContact CE2-O 3.42Å; R491-R494 PolarHBondContact O-NH2 2.96Å; R494-Y499 HydrophobicContact CB-CG 4.3Å; R494-Y499 VanDerWaalsContact CD-CD2 3.41Å; R494-Y499 HydrophobicContact CG-CG 4.42Å
495	T	94.6	Very high	92	Very high	13 Å²	13	77 Å²	77	8%	0.08	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142	174.3	176.1	0	0	0	0	110.7	L471 T497 T498 Y499	L471-T495 VanDerWaalsContact O-CA 3.28Å; L471-T495 WeakPolarHBondContact O-CA 3.46Å; T495-T497 WeakPolarHBondContact CG2-OG1 3.26Å; T495-T497 PolarHBondContact O-N 3.49Å; T495-T497 VanDerWaalsContact O-N 3.12Å; T495-T497 PolarHBondContact OG1-N 3.5Å; T495-T497 PolarHBondContact OG1-OG1 3.18Å; T495-T497 VanDerWaalsContact OG1-OG1 3.11Å; T495-T498 HydrophobicContact CG2-CG2 3.69Å; T495-T498 WeakPolarHBondContact CG2-OG1 3.37Å; T495-T498 PolarHBondContact O-N 2.95Å; T495-T498 PolarHBondContact O-OG1 3.11Å; T495-T498 VanDerWaalsContact O-OG1 3.12Å; T495-Y499 PolarHBondContact O-N 3.48Å; T495-Y499 VanDerWaalsContact O-N 3.14Å
496	T	92.1	Very high	92.2	Very high	43 Å²	43	74.6 Å²	74.6	26%	0.264	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.6	176.1	50.4	0	0	0	0	113	E438 Q440 T470 L471 T498	E438-T496 HydrophobicContact CG-CG2 4.42Å; Q440-T496 HydrophobicContact CG-CG2 4.37Å; T470-T496 HydrophobicContact CG2-CG2 3.89Å; L471-T496 PolarHBondContact O-N 2.85Å; T496-T498 VanDerWaalsContact C-N 3.31Å
497	T	88.8	Confident	92.5	Very high	107 Å²	107	65.3 Å²	65.3	66%	0.656	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.3	175.5	57.2	0	0	0	0	114	T495	T495-T497 WeakPolarHBondContact CG2-OG1 3.26Å; T495-T497 PolarHBondContact O-N 3.49Å; T495-T497 VanDerWaalsContact O-N 3.12Å; T495-T497 PolarHBondContact OG1-N 3.5Å; T495-T497 PolarHBondContact OG1-OG1 3.18Å; T495-T497 VanDerWaalsContact OG1-OG1 3.11Å
498	T	87.9	Confident	92.7	Very high	106 Å²	106	70.2 Å²	70.2	65%	0.65	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	-6.8	-174.5	61.6	0	0	0	0	113.6	T495 T496	T495-T498 HydrophobicContact CG2-CG2 3.69Å; T495-T498 WeakPolarHBondContact CG2-OG1 3.37Å; T495-T498 PolarHBondContact O-N 2.95Å; T495-T498 PolarHBondContact O-OG1 3.11Å; T495-T498 VanDerWaalsContact O-OG1 3.12Å; T496-T498 VanDerWaalsContact C-N 3.31Å
499	Y	90.8	Very high	93	Very high	82 Å²	82	64.5 Å²	64.5	32%	0.322	33%	0.326	S	S	.	.			trans	-153.5	136.4	-171.6	-167.6	-89.6	0	0	0	111.1	T470 R494 T495	T470-Y499 HydrophobicContact CG2-CD1 4.36Å; T470-Y499 WeakPolarHBondContact OG1-CD1 3.04Å; R494-Y499 HydrophobicContact CB-CG 4.3Å; R494-Y499 VanDerWaalsContact CD-CD2 3.41Å; R494-Y499 HydrophobicContact CG-CG 4.42Å; T495-Y499 PolarHBondContact O-N 3.48Å; T495-Y499 VanDerWaalsContact O-N 3.14Å
500	I	91	Very high	93.4	Very high	134 Å²	134	65.8 Å²	65.8	69%	0.687	32%	0.324	S	S	*	.			trans	-122.9	133.4	176.4	-60.9	172.5	0	0	0	108.4
501	T	95.8	Very high	94.1	Very high	5 Å²	5	70.6 Å²	70.6	3%	0.031	34%	0.337	C	S	.	.			trans	-93.2	131.1	175.3	-54	0	0	0	0	110	V401 V403 A436 E438	V401-T501 HydrophobicContact CG1-CG2 3.49Å; V401-T501 VanDerWaalsContact CG1-CG2 3.49Å; V403-T501 HydrophobicContact CG2-CG2 3.72Å; A436-T501 HydrophobicContact CB-CG2 3.83Å; E438-T501 WeakPolarHBondContact CB-OG1 3.27Å; E438-T501 WeakPolarHBondContact OE2-CB 3.29Å; E438-T501 PolarHBondContact OE2-N 3.02Å; E438-T501 PolarHBondContact OE2-OG1 3.05Å
502	S	94.7	Very high	94.6	Very high	49 Å²	49	62.2 Å²	62.2	34%	0.343	31%	0.308	S	S	.	.			trans	-133.9	145.7	178.4	173.8	0	0	0	0	112.1	I504	S502-I504 PolarHBondContact O-N 3.37Å; S502-I504 WeakPolarHBondContact OG-CB 3.48Å; S502-I504 WeakPolarHBondContact OG-CG2 3.48Å; S502-I504 PolarHBondContact OG-N 3.45Å; S502-I504 VanDerWaalsContact OG-N 3.11Å
503	I	97.9	Very high	94.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-74.6	-6.4	173	57.6	159.8	0	0	0	113.2	Y320 A348 D350 M377 V401 S505 L506	Y320-I503 HydrophobicContact CD2-CD1 4.25Å; Y320-I503 HydrophobicContact CE1-CD1 4.32Å; Y320-I503 HydrophobicContact CE2-CB 4.23Å; Y320-I503 HydrophobicContact CE2-CD1 3.55Å; Y320-I503 HydrophobicContact CE2-CG1 3.73Å; Y320-I503 WeakPolarHBondContact OH-CG1 3.34Å; A348-I503 HydrophobicContact CB-CB 4.25Å; A348-I503 HydrophobicContact CB-CD1 3.82Å; D350-I503 HydrophobicContact CB-CD1 3.72Å; D350-I503 HydrophobicContact CB-CG1 4.29Å; M377-I503 HydrophobicContact CG-CG2 3.78Å; M377-I503 HydrophobicContact SD-CB 4.18Å; M377-I503 HydrophobicContact SD-CG1 3.78Å; M377-I503 HydrophobicContact SD-CG2 3.81Å; M377-I503 PolarHBondContact SD-N 3.41Å; V401-I503 HydrophobicContact CB-CG2 4.33Å; V401-I503 HydrophobicContact CG1-CG2 4.08Å; I503-S505 PolarHBondContact O-N 2.73Å; I503-L506 HydrophobicContact CB-CD1 4.24Å; I503-L506 HydrophobicContact CG2-CD1 4.39Å; I503-L506 VanDerWaalsContact O-CB 3.24Å; I503-L506 WeakPolarHBondContact O-CB 3.31Å; I503-L506 WeakPolarHBondContact O-CG 3.03Å; I503-L506 PolarHBondContact O-N 3.04Å
504	I	96.4	Very high	94.1	Very high	58 Å²	58	67.9 Å²	67.9	30%	0.297	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-52.5	-27.7	-179.5	-161.8	169.1	0	0	0	113.3	S502 L506 L507 Y510	S502-I504 PolarHBondContact O-N 3.37Å; S502-I504 WeakPolarHBondContact OG-CB 3.48Å; S502-I504 WeakPolarHBondContact OG-CG2 3.48Å; S502-I504 PolarHBondContact OG-N 3.45Å; S502-I504 VanDerWaalsContact OG-N 3.11Å; I504-L506 PolarHBondContact O-N 2.67Å; I504-L506 VanDerWaalsContact O-N 3.08Å; I504-L507 HydrophobicContact CD1-CD1 4.47Å; I504-L507 HydrophobicContact CG1-CD1 3.59Å; I504-L507 HydrophobicContact CG1-CG 4.38Å; I504-L507 WeakPolarHBondContact O-CB 3.46Å; I504-L507 WeakPolarHBondContact O-CG 3.4Å; I504-L507 PolarHBondContact O-N 2.97Å; I504-L507 VanDerWaalsContact O-N 3.14Å; I504-Y510 HydrophobicContact CG2-CE2 4.19Å; I504-Y510 WeakPolarHBondContact O-CD2 3.34Å
505	S	95.6	Very high	93	Very high	49 Å²	49	68.5 Å²	68.5	34%	0.343	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-60.8	-14.3	173.9	63.9	0	0	0	0	114.9	I503	I503-S505 PolarHBondContact O-N 2.73Å
506	L	98	Very high	90.7	Very high	42 Å²	42	74 Å²	74	22%	0.22	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-95.6	-6.2	-179.5	-58.5	173.5	0	0	0	113.4	A348 H374 I503 I504	A348-L506 HydrophobicContact CB-CB 4.18Å; A348-L506 HydrophobicContact CB-CD1 3.76Å; H374-L506 HydrophobicContact CB-CD1 4Å; H374-L506 HydrophobicContact CB-CD2 4.09Å; I503-L506 HydrophobicContact CB-CD1 4.24Å; I503-L506 HydrophobicContact CG2-CD1 4.39Å; I503-L506 VanDerWaalsContact O-CB 3.24Å; I503-L506 WeakPolarHBondContact O-CB 3.31Å; I503-L506 WeakPolarHBondContact O-CG 3.03Å; I503-L506 PolarHBondContact O-N 3.04Å; I504-L506 PolarHBondContact O-N 2.67Å; I504-L506 VanDerWaalsContact O-N 3.08Å
507	L	98.2	Very high	90.6	Very high	7 Å²	7	75.6 Å²	75.6	4%	0.037	37%	0.367	C	S	.	.	S	Bend	trans	-58.8	139.1	170.4	-68.5	173.6	0	0	0	110.2	T270 L272 E295 Y320 I504 R509 Y510 L513	T270-L507 HydrophobicContact CG2-CD2 4.09Å; L272-L507 HydrophobicContact CD1-CD1 3.86Å; L272-L507 HydrophobicContact CD2-CD1 4.07Å; L272-L507 HydrophobicContact CD2-CD2 4.22Å; E295-L507 HydrophobicContact CB-CD2 3.86Å; E295-L507 HydrophobicContact CG-CD2 4.26Å; Y320-L507 HydrophobicContact CD1-CD2 3.92Å; Y320-L507 HydrophobicContact CD2-CD2 3.67Å; Y320-L507 HydrophobicContact CD2-CG 4.18Å; Y320-L507 HydrophobicContact CE1-CD2 4.13Å; Y320-L507 HydrophobicContact CE2-CD2 3.89Å; Y320-L507 HydrophobicContact CE2-CG 4.05Å; Y320-L507 HydrophobicContact CG-CD2 3.7Å; I504-L507 HydrophobicContact CD1-CD1 4.47Å; I504-L507 HydrophobicContact CG1-CD1 3.59Å; I504-L507 HydrophobicContact CG1-CG 4.38Å; I504-L507 WeakPolarHBondContact O-CB 3.46Å; I504-L507 WeakPolarHBondContact O-CG 3.4Å; I504-L507 PolarHBondContact O-N 2.97Å; I504-L507 VanDerWaalsContact O-N 3.14Å; L507-R509 PolarHBondContact O-N 2.87Å; L507-R509 VanDerWaalsContact O-N 3.14Å; L507-Y510 VanDerWaalsContact O-CB 3.26Å; L507-Y510 WeakPolarHBondContact O-CB 3.43Å; L507-Y510 PolarHBondContact O-N 2.9Å; L507-L513 HydrophobicContact CD1-CD1 3.71Å
508	R	97	Very high	90.7	Very high	139 Å²	139	73.9 Å²	73.9	53%	0.525	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.6	177.7	179.2	-177.8	-63.1	-160.1	0.7	112.1	E295	E295-R508 WeakPolarHBondContact OE1-CB 3.34Å; E295-R508 PolarHBondContact OE1-N 3.42Å; E295-R508 PolarHBondContact OE2-N 3.42Å
509	R	95.7	Very high	90.8	Very high	58 Å²	58	72.1 Å²	72.1	22%	0.219	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	17.2	-179.6	-62.6	-68.2	173.6	-128.7	0.7	113.3	E243 C244 L507 K511 D512 L513	E243-R509 IonicContact OE2-CZ 3.64Å; E243-R509 IonicContact OE2-NE 2.73Å; E243-R509 PolarHBondContact OE2-NE 3.29Å; E243-R509 IonicContact OE2-NH2 3.22Å; E243-R509 PolarHBondContact OE2-NH2 2.65Å; C244-R509 HydrophobicContact CB-CB 4.35Å; C244-R509 HydrophobicContact CB-CG 4.31Å; L507-R509 PolarHBondContact O-N 2.87Å; L507-R509 VanDerWaalsContact O-N 3.14Å; R509-K511 VanDerWaalsContact C-N 3.28Å; R509-K511 PolarHBondContact O-N 3.24Å; R509-D512 HydrophobicContact CB-CB 4.47Å; R509-D512 WeakPolarHBondContact CD-OD2 3.13Å; R509-D512 CarbonylContact O-C 3.55Å; R509-D512 WeakPolarHBondContact O-CA 3.17Å; R509-D512 WeakPolarHBondContact O-CB 3.38Å; R509-D512 PolarHBondContact O-N 2.94Å; R509-L513 PolarHBondContact O-N 2.96Å
510	Y	96.4	Very high	90.8	Very high	79 Å²	79	71.5 Å²	71.5	31%	0.31	34%	0.336	S	S	.	.	H	α-helix	trans	-51.5	-43.9	-179.8	173.7	-117	0	0	0	113.4	I504 L507 D512 L513 R514	I504-Y510 HydrophobicContact CG2-CE2 4.19Å; I504-Y510 WeakPolarHBondContact O-CD2 3.34Å; L507-Y510 VanDerWaalsContact O-CB 3.26Å; L507-Y510 WeakPolarHBondContact O-CB 3.43Å; L507-Y510 PolarHBondContact O-N 2.9Å; Y510-D512 PolarHBondContact O-N 3.38Å; Y510-L513 CarbonylContact O-C 3.57Å; Y510-L513 PolarHBondContact O-N 2.75Å; Y510-L513 VanDerWaalsContact O-N 3.12Å; Y510-R514 HydrophobicContact CD1-CG 4.5Å; Y510-R514 HydrophobicContact CD2-CG 4.4Å; Y510-R514 HydrophobicContact CE1-CG 4.05Å; Y510-R514 HydrophobicContact CE2-CG 3.95Å; Y510-R514 WeakPolarHBondContact O-CG 3.34Å; Y510-R514 PolarHBondContact O-N 2.72Å
511	K	94.6	Very high	90.8	Very high	179 Å²	179	67.6 Å²	67.6	78%	0.778	31%	0.314	S	S	*	.	H	α-helix	trans	-61	-33.4	178.2	-71.2	-176.1	179.5	179.3	0	113.3	R509	R509-K511 VanDerWaalsContact C-N 3.28Å; R509-K511 PolarHBondContact O-N 3.24Å
512	D	95.8	Very high	90.5	Very high	40 Å²	40	71.8 Å²	71.8	21%	0.214	33%	0.333	C	S	.	.	H	α-helix	trans	-80	-30.4	178.3	-56.1	-38.8	0	0	0	110.4	I183 H185 V218 R509 Y510	I183-D512 HydrophobicContact CD1-CB 3.66Å; I183-D512 WeakPolarHBondContact CD1-OD1 3.28Å; I183-D512 HydrophobicContact CG1-CB 4.23Å; H185-D512 PolarHBondContact NE2-O 2.94Å; V218-D512 HydrophobicContact CG2-CB 3.98Å; R509-D512 HydrophobicContact CB-CB 4.47Å; R509-D512 WeakPolarHBondContact CD-OD2 3.13Å; R509-D512 CarbonylContact O-C 3.55Å; R509-D512 WeakPolarHBondContact O-CA 3.17Å; R509-D512 WeakPolarHBondContact O-CB 3.38Å; R509-D512 PolarHBondContact O-N 2.94Å; Y510-D512 PolarHBondContact O-N 3.38Å
513	L	94	Very high	90.2	Very high	15 Å²	15	73.4 Å²	73.4	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-81.5	-13.1	177.6	-74.1	170.1	0	0	0	114.6	H185 V218 N220 A246 L272 L507 R509 Y510 F515	H185-L513 PolarHBondContact CE1-O 2.67Å; V218-L513 HydrophobicContact CG1-CD2 3.89Å; V218-L513 HydrophobicContact CG1-CG 4.41Å; N220-L513 HydrophobicContact CB-CD2 4.38Å; A246-L513 HydrophobicContact CB-CD2 4.21Å; L272-L513 HydrophobicContact CD1-CD1 3.9Å; L507-L513 HydrophobicContact CD1-CD1 3.71Å; R509-L513 PolarHBondContact O-N 2.96Å; Y510-L513 CarbonylContact O-C 3.57Å; Y510-L513 PolarHBondContact O-N 2.75Å; Y510-L513 VanDerWaalsContact O-N 3.12Å; L513-F515 PolarHBondContact O-N 3.26Å; L513-F515 VanDerWaalsContact O-N 3.08Å
514	R	84.7	Confident	89.6	Confident	133 Å²	133	79.1 Å²	79.1	50%	0.502	36%	0.358	S	S	.	.			trans	-62.6	113.1	175.3	-79.1	-174	65.8	-171.6	-4.7	109.1	Y156 Y510	Y156-R514 PolarHBondContact OH-O 3.11Å; Y510-R514 HydrophobicContact CD1-CG 4.5Å; Y510-R514 HydrophobicContact CD2-CG 4.4Å; Y510-R514 HydrophobicContact CE1-CG 4.05Å; Y510-R514 HydrophobicContact CE2-CG 3.95Å; Y510-R514 WeakPolarHBondContact O-CG 3.34Å; Y510-R514 PolarHBondContact O-N 2.72Å
515	F	73.8	Confident	89	Confident	101 Å²	101	80.8 Å²	80.8	44%	0.443	36%	0.363	S	S	.	.			trans	-100.1	145.6	157	69.7	-83.9	0	0	0	108.1	I187 L513	I187-F515 HydrophobicContact CD1-CD1 4.47Å; L513-F515 PolarHBondContact O-N 3.26Å; L513-F515 VanDerWaalsContact O-N 3.08Å
516	N	44.6	Very low	88.4	Confident	128 Å²	128	83.7 Å²	83.7	68%	0.684	37%	0.365	S	S	*	.			trans	-100.5	0	-166.3	-105.2	-0.7	0	0	0	113.2	R77 E107	R77-N516 PolarHBondContact NH1-OXT 3.49Å; R77-N516 VanDerWaalsContact NH1-OXT 3.1Å; R77-N516 PolarHBondContact NH2-OXT 2.8Å; R77-N516 VanDerWaalsContact NH2-OXT 3.11Å; E107-N516 WeakPolarHBondContact OE1-CB 3.24Å; E107-N516 PolarHBondContact OE1-ND2 3.31Å

Retrieved 516 of 516 residues in 650.4 ms (Link to these results)

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