A0A087XM78_POEFO Loading...

Kelch domain containing 4

AlphaFold DB , UniProt , Accession A0A087XM78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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	A	48.6	Very low	53.1	Low	153 Å²	153	108.9 Å²	108.9	100%	1.264	66%	0.664	S	S	*	*				0	23.1	0	0	0	0	0	0	114
2	G	50.2	Low	53.8	Low	55 Å²	55	109.3 Å²	109.3	57%	0.567	66%	0.659	S	S	*	*			trans	-103	-18	-166	0	0	0	0	0	118.5
3	S	50.4	Low	55	Low	92 Å²	92	113.1 Å²	113.1	64%	0.643	66%	0.661	S	S	*	*	S	Bend	trans	-95.8	-16.3	-173.6	76.9	0	0	0	0	115.2
4	K	51	Low	55.9	Low	188 Å²	188	111.6 Å²	111.6	82%	0.817	66%	0.655	S	S	*	*	H	α-helix	trans	-79.3	-21.4	176.8	-75.1	-172.4	176	-176.3	0	113.8
5	S	52.3	Low	56.6	Low	73 Å²	73	107.7 Å²	107.7	51%	0.51	64%	0.64	S	S	.	*	H	α-helix	trans	-86.6	-25.3	-177	65.1	0	0	0	0	114.5	R9	S5-R9 PolarHBondContact O-N 2.81Å
6	Q	52.3	Low	57.6	Low	158 Å²	158	104.1 Å²	104.1	74%	0.738	63%	0.626	S	S	*	*	H	α-helix	trans	-79.8	-33.6	176.4	-78.6	-174.8	-25.7	0	0	113	G10	Q6-G10 PolarHBondContact O-N 3.28Å
7	L	52.4	Low	58.5	Low	136 Å²	136	107.6 Å²	107.6	71%	0.712	63%	0.631	S	S	*	*	H	α-helix	trans	-68.9	-40.1	175.1	-82.4	157.3	0	0	0	112.2	R9 G10 A11	L7-R9 PolarHBondContact O-N 3.16Å; L7-G10 PolarHBondContact O-N 3.31Å; L7-A11 PolarHBondContact O-N 2.8Å; L7-A11 VanDerWaalsContact O-N 3.14Å
8	A	53.5	Low	58.9	Low	54 Å²	54	109.1 Å²	109.1	45%	0.446	63%	0.633	S	S	.	*	H	α-helix	trans	-61.9	-42.8	175.3	0	0	0	0	0	112.2	G10 A11 D12	A8-G10 VanDerWaalsContact C-N 3.33Å; A8-G10 PolarHBondContact O-N 3.27Å; A8-A11 PolarHBondContact O-N 3.42Å; A8-D12 PolarHBondContact O-N 3.24Å; A8-D12 VanDerWaalsContact O-N 3.12Å
9	R	57.9	Low	59.6	Low	192 Å²	192	110.8 Å²	110.8	73%	0.725	64%	0.635	S	S	*	*	H	α-helix	trans	-70.9	-25	-178.9	-136.2	172.6	170.1	-177.8	-4	113.9	S5 L7	S5-R9 PolarHBondContact O-N 2.81Å; L7-R9 PolarHBondContact O-N 3.16Å
10	G	55.8	Low	60.5	Low	37 Å²	37	113.6 Å²	113.6	38%	0.381	64%	0.639	S	S	.	*	H	α-helix	trans	-78.9	-36.6	173.6	0	0	0	0	0	112.9	Q6 L7 A8 T14	Q6-G10 PolarHBondContact O-N 3.28Å; L7-G10 PolarHBondContact O-N 3.31Å; A8-G10 VanDerWaalsContact C-N 3.33Å; A8-G10 PolarHBondContact O-N 3.27Å; G10-T14 PolarHBondContact O-N 3.48Å; G10-T14 PolarHBondContact O-OG1 3.14Å
11	A	59.3	Low	61.1	Low	60 Å²	60	116 Å²	116	50%	0.496	64%	0.642	S	S	.	*	H	α-helix	trans	-64.6	-45.6	174.2	0	0	0	0	0	111.6	L7 A8 K13 T14 A15	L7-A11 PolarHBondContact O-N 2.8Å; L7-A11 VanDerWaalsContact O-N 3.14Å; A8-A11 PolarHBondContact O-N 3.42Å; A11-K13 PolarHBondContact O-N 3.4Å; A11-T14 PolarHBondContact O-N 3.12Å; A11-T14 VanDerWaalsContact O-N 3.1Å; A11-A15 PolarHBondContact O-N 3.39Å
12	D	62.1	Low	62.1	Low	114 Å²	114	113.2 Å²	113.2	61%	0.61	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-40	178.9	-73.5	-22.6	0	0	0	113.1	A8 T14 A15 A16	A8-D12 PolarHBondContact O-N 3.24Å; A8-D12 VanDerWaalsContact O-N 3.12Å; D12-T14 VanDerWaalsContact C-N 3.28Å; D12-T14 PolarHBondContact O-N 3.33Å; D12-A15 PolarHBondContact O-N 3.1Å; D12-A16 WeakPolarHBondContact O-CB 3.18Å; D12-A16 PolarHBondContact O-N 3.39Å
13	K	69.2	Low	63.3	Low	158 Å²	158	113.1 Å²	113.1	69%	0.687	60%	0.6	S	S	*	*	H	α-helix	trans	-66.5	-31.5	175.7	-78.1	-175.3	178.1	-176.1	0	112.7	A11 K17	A11-K13 PolarHBondContact O-N 3.4Å; K13-K17 WeakPolarHBondContact O-CB 3.47Å; K13-K17 PolarHBondContact O-N 3.25Å
14	T	67.3	Low	64.5	Low	93 Å²	93	116.4 Å²	116.4	57%	0.571	60%	0.603	S	S	*	*	H	α-helix	trans	-76.2	-41.9	179.1	-51.1	0	0	0	0	110.4	G10 A11 D12 K17 M18	G10-T14 PolarHBondContact O-N 3.48Å; G10-T14 PolarHBondContact O-OG1 3.14Å; A11-T14 PolarHBondContact O-N 3.12Å; A11-T14 VanDerWaalsContact O-N 3.1Å; D12-T14 VanDerWaalsContact C-N 3.28Å; D12-T14 PolarHBondContact O-N 3.33Å; T14-K17 PolarHBondContact O-N 3.49Å; T14-M18 PolarHBondContact O-N 3.47Å
15	A	67.1	Low	65.5	Low	52 Å²	52	115.6 Å²	115.6	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-60.5	-48.5	174	0	0	0	0	0	112.2	A11 D12 K17 M18 E19	A11-A15 PolarHBondContact O-N 3.39Å; D12-A15 PolarHBondContact O-N 3.1Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 3.46Å; A15-M18 WeakPolarHBondContact O-CA 3.48Å; A15-M18 WeakPolarHBondContact O-CB 3.41Å; A15-M18 PolarHBondContact O-N 3.06Å; A15-E19 PolarHBondContact O-N 2.88Å
16	A	72.1	Confident	66.2	Low	51 Å²	51	114.7 Å²	114.7	42%	0.421	59%	0.588	S	S	.	*	H	α-helix	trans	-63.2	-31.3	178	0	0	0	0	0	113.4	D12 K20	D12-A16 WeakPolarHBondContact O-CB 3.18Å; D12-A16 PolarHBondContact O-N 3.39Å; A16-K20 WeakPolarHBondContact O-CB 3.43Å; A16-K20 PolarHBondContact O-N 3.25Å
17	K	73.5	Confident	67.2	Low	164 Å²	164	113.3 Å²	113.3	71%	0.713	58%	0.58	S	S	*	*	H	α-helix	trans	-74.2	-33.8	174.9	-161.7	176.6	-176.7	-178.9	0	111.4	K13 T14 A15 K21	K13-K17 WeakPolarHBondContact O-CB 3.47Å; K13-K17 PolarHBondContact O-N 3.25Å; T14-K17 PolarHBondContact O-N 3.49Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 3.46Å; K17-K21 WeakPolarHBondContact O-CB 3.46Å; K17-K21 PolarHBondContact O-N 3.4Å; K17-K21 VanDerWaalsContact O-N 3.11Å
18	M	65.7	Low	68.2	Low	133 Å²	133	114.9 Å²	114.9	66%	0.655	58%	0.576	S	S	*	*	H	α-helix	trans	-67.9	-47	173.1	-126.3	172.2	-164.7	0	0	111	T14 A15 K20 K21 V22	T14-M18 PolarHBondContact O-N 3.47Å; A15-M18 WeakPolarHBondContact O-CA 3.48Å; A15-M18 WeakPolarHBondContact O-CB 3.41Å; A15-M18 PolarHBondContact O-N 3.06Å; M18-K20 PolarHBondContact O-N 3.46Å; M18-K21 CarbonylContact O-C 3.6Å; M18-K21 WeakPolarHBondContact O-CA 3.43Å; M18-K21 WeakPolarHBondContact O-CB 3.37Å; M18-K21 PolarHBondContact O-N 3.49Å; M18-V22 WeakPolarHBondContact O-CG2 3.25Å; M18-V22 PolarHBondContact O-N 3.46Å
19	E	72.4	Confident	68.9	Low	143 Å²	143	116.6 Å²	116.6	67%	0.668	58%	0.575	S	S	*	*	H	α-helix	trans	-60.8	-41.8	175.2	-78.6	-176.5	156.5	0	0	112.6	A15 K21 V22 S23	A15-E19 PolarHBondContact O-N 2.88Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 2.89Å; E19-V22 PolarHBondContact O-N 2.88Å; E19-S23 WeakPolarHBondContact O-CB 3.41Å; E19-S23 PolarHBondContact O-N 3.33Å; E19-S23 PolarHBondContact O-OG 3.46Å
20	K	76.8	Confident	69.6	Low	165 Å²	165	112.7 Å²	112.7	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-62.5	-33.3	172.4	-88.3	-174.9	175.8	179.9	0	113	A16 M18 S23 K24	A16-K20 WeakPolarHBondContact O-CB 3.43Å; A16-K20 PolarHBondContact O-N 3.25Å; M18-K20 PolarHBondContact O-N 3.46Å; K20-S23 VanDerWaalsContact CA-OG 3.31Å; K20-S23 WeakPolarHBondContact CA-OG 3.49Å; K20-S23 PolarHBondContact O-OG 2.88Å; K20-K24 WeakPolarHBondContact O-CB 3.38Å; K20-K24 PolarHBondContact O-N 3.14Å
21	K	74.1	Confident	70.3	Confident	164 Å²	164	116.8 Å²	116.8	71%	0.713	57%	0.574	S	S	*	*	H	α-helix	trans	-76.8	-37.9	178.6	-159.8	177.9	-178	-174	0	111.5	K17 M18 E19 R25	K17-K21 WeakPolarHBondContact O-CB 3.46Å; K17-K21 PolarHBondContact O-N 3.4Å; K17-K21 VanDerWaalsContact O-N 3.11Å; M18-K21 CarbonylContact O-C 3.6Å; M18-K21 WeakPolarHBondContact O-CA 3.43Å; M18-K21 WeakPolarHBondContact O-CB 3.37Å; M18-K21 PolarHBondContact O-N 3.49Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 2.89Å; K21-R25 VanDerWaalsContact O-CB 3.3Å; K21-R25 WeakPolarHBondContact O-CB 3.31Å; K21-R25 PolarHBondContact O-N 3.03Å
22	V	69.6	Low	71.4	Confident	95 Å²	95	118.3 Å²	118.3	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-67	-47.8	174.5	173.3	0	0	0	0	110.4	M18 E19 K24 R25 S26	M18-V22 WeakPolarHBondContact O-CG2 3.25Å; M18-V22 PolarHBondContact O-N 3.46Å; E19-V22 PolarHBondContact O-N 2.88Å; V22-K24 PolarHBondContact O-N 3.47Å; V22-R25 PolarHBondContact O-N 2.82Å; V22-R25 VanDerWaalsContact O-N 3.16Å; V22-S26 PolarHBondContact O-N 2.81Å; V22-S26 PolarHBondContact O-OG 3.43Å
23	S	75.7	Confident	72	Confident	53 Å²	53	118 Å²	118	37%	0.371	57%	0.572	S	S	.	*	H	α-helix	trans	-65.4	-34.1	176.3	53.3	0	0	0	0	113.5	E19 K20 S26 K27	E19-S23 WeakPolarHBondContact O-CB 3.41Å; E19-S23 PolarHBondContact O-N 3.33Å; E19-S23 PolarHBondContact O-OG 3.46Å; K20-S23 VanDerWaalsContact CA-OG 3.31Å; K20-S23 WeakPolarHBondContact CA-OG 3.49Å; K20-S23 PolarHBondContact O-OG 2.88Å; S23-S26 WeakPolarHBondContact CA-OG 3.49Å; S23-S26 PolarHBondContact O-OG 3.2Å; S23-K27 WeakPolarHBondContact O-CB 3.4Å; S23-K27 VanDerWaalsContact O-CG 3.31Å; S23-K27 WeakPolarHBondContact O-CG 3.3Å; S23-K27 PolarHBondContact O-N 3.01Å
24	K	75.6	Confident	72.8	Confident	162 Å²	162	116.2 Å²	116.2	70%	0.704	57%	0.566	S	S	*	*	H	α-helix	trans	-70.6	-34.6	172.9	-172	173.9	-179	177.7	0	112	K20 V22 R28	K20-K24 WeakPolarHBondContact O-CB 3.38Å; K20-K24 PolarHBondContact O-N 3.14Å; V22-K24 PolarHBondContact O-N 3.47Å; K24-R28 WeakPolarHBondContact O-CB 3.49Å; K24-R28 PolarHBondContact O-N 3.23Å; K24-R28 VanDerWaalsContact O-N 3.14Å
25	R	70.4	Confident	73.7	Confident	171 Å²	171	114.5 Å²	114.5	65%	0.645	56%	0.562	S	S	*	*	H	α-helix	trans	-69.7	-45.1	175.1	-177.3	177.5	173.6	174.3	2.1	111.1	K21 V22 K27 R28 E29	K21-R25 VanDerWaalsContact O-CB 3.3Å; K21-R25 WeakPolarHBondContact O-CB 3.31Å; K21-R25 PolarHBondContact O-N 3.03Å; V22-R25 PolarHBondContact O-N 2.82Å; V22-R25 VanDerWaalsContact O-N 3.16Å; R25-K27 PolarHBondContact O-N 3.44Å; R25-R28 PolarHBondContact O-N 2.98Å; R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 WeakPolarHBondContact CG-OE1 3.17Å; R25-E29 IonicContact CZ-OE1 3.67Å; R25-E29 IonicContact NE-OE1 3.76Å; R25-E29 PolarHBondContact NE-OE1 3.03Å; R25-E29 IonicContact NH2-OE1 3.41Å; R25-E29 PolarHBondContact NH2-OE1 3Å; R25-E29 WeakPolarHBondContact O-CG 3.4Å; R25-E29 PolarHBondContact O-N 2.83Å
26	S	67.6	Low	74.3	Confident	54 Å²	54	116.4 Å²	116.4	38%	0.378	56%	0.564	S	S	.	*	H	α-helix	trans	-62.6	-41.6	176.6	69.4	0	0	0	0	111.8	V22 S23 R28 E29 E30	V22-S26 PolarHBondContact O-N 2.81Å; V22-S26 PolarHBondContact O-OG 3.43Å; S23-S26 WeakPolarHBondContact CA-OG 3.49Å; S23-S26 PolarHBondContact O-OG 3.2Å; S26-R28 VanDerWaalsContact C-N 3.34Å; S26-R28 PolarHBondContact O-N 2.78Å; S26-E29 PolarHBondContact O-N 2.82Å; S26-E30 VanDerWaalsContact O-CB 3.26Å; S26-E30 WeakPolarHBondContact O-CB 3.33Å; S26-E30 PolarHBondContact O-N 3.38Å
27	K	73.5	Confident	74.8	Confident	129 Å²	129	118.3 Å²	118.3	56%	0.561	57%	0.566	S	S	*	*	H	α-helix	trans	-62.1	-39.2	174.2	-79.4	-176	176.1	-163.4	0	113.2	S23 R25 E30 E31	S23-K27 WeakPolarHBondContact O-CB 3.4Å; S23-K27 VanDerWaalsContact O-CG 3.31Å; S23-K27 WeakPolarHBondContact O-CG 3.3Å; S23-K27 PolarHBondContact O-N 3.01Å; R25-K27 PolarHBondContact O-N 3.44Å; K27-E30 PolarHBondContact O-N 2.75Å; K27-E31 WeakPolarHBondContact O-CB 3.4Å; K27-E31 VanDerWaalsContact O-CG 3.25Å; K27-E31 WeakPolarHBondContact O-CG 3.48Å; K27-E31 PolarHBondContact O-N 3Å
28	R	73.3	Confident	75.2	Confident	168 Å²	168	112.3 Å²	112.3	63%	0.634	55%	0.547	S	S	*	.	H	α-helix	trans	-68.5	-42.1	176	-176.3	179.7	173.6	-177.8	0.6	111.6	K24 R25 S26 E30 E31 D32	K24-R28 WeakPolarHBondContact O-CB 3.49Å; K24-R28 PolarHBondContact O-N 3.23Å; K24-R28 VanDerWaalsContact O-N 3.14Å; R25-R28 PolarHBondContact O-N 2.98Å; S26-R28 VanDerWaalsContact C-N 3.34Å; S26-R28 PolarHBondContact O-N 2.78Å; R28-E30 VanDerWaalsContact C-N 3.29Å; R28-E30 PolarHBondContact O-N 3.16Å; R28-E31 PolarHBondContact O-N 2.97Å; R28-D32 WeakPolarHBondContact O-CB 3.3Å; R28-D32 PolarHBondContact O-N 3.03Å
29	E	68.2	Low	76.3	Confident	90 Å²	90	111.6 Å²	111.6	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-36.2	175.4	-72.4	167.3	177.7	0	0	111.2	R25 S26 L33	R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 WeakPolarHBondContact CG-OE1 3.17Å; R25-E29 IonicContact CZ-OE1 3.67Å; R25-E29 IonicContact NE-OE1 3.76Å; R25-E29 PolarHBondContact NE-OE1 3.03Å; R25-E29 IonicContact NH2-OE1 3.41Å; R25-E29 PolarHBondContact NH2-OE1 3Å; R25-E29 WeakPolarHBondContact O-CG 3.4Å; R25-E29 PolarHBondContact O-N 2.83Å; S26-E29 PolarHBondContact O-N 2.82Å; E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 WeakPolarHBondContact O-CD1 3.34Å; E29-L33 WeakPolarHBondContact O-CG 3.31Å; E29-L33 PolarHBondContact O-N 3.38Å
30	E	71.6	Confident	76.7	Confident	111 Å²	111	110.6 Å²	110.6	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-67.7	-46	173.7	-170.6	173.3	-162.3	0	0	112	S26 K27 R28 D32 L33 E34	S26-E30 VanDerWaalsContact O-CB 3.26Å; S26-E30 WeakPolarHBondContact O-CB 3.33Å; S26-E30 PolarHBondContact O-N 3.38Å; K27-E30 PolarHBondContact O-N 2.75Å; R28-E30 VanDerWaalsContact C-N 3.29Å; R28-E30 PolarHBondContact O-N 3.16Å; E30-D32 VanDerWaalsContact C-N 3.34Å; E30-D32 PolarHBondContact O-N 3.11Å; E30-L33 PolarHBondContact O-N 3.17Å; E30-E34 WeakPolarHBondContact O-CG 3.35Å; E30-E34 PolarHBondContact O-N 2.73Å
31	E	72.3	Confident	76.8	Confident	123 Å²	123	108.8 Å²	108.8	58%	0.575	53%	0.53	S	S	*	.	H	α-helix	trans	-61.3	-39.2	173.3	-74.1	167	-170.5	0	0	112.2	K27 R28 E34 A35	K27-E31 WeakPolarHBondContact O-CB 3.4Å; K27-E31 VanDerWaalsContact O-CG 3.25Å; K27-E31 WeakPolarHBondContact O-CG 3.48Å; K27-E31 PolarHBondContact O-N 3Å; R28-E31 PolarHBondContact O-N 2.97Å; E31-E34 PolarHBondContact O-N 3.44Å; E31-A35 WeakPolarHBondContact O-CB 3.49Å; E31-A35 PolarHBondContact O-N 3.06Å
32	D	81.1	Confident	77	Confident	92 Å²	92	105.8 Å²	105.8	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-67.7	-36.8	176.6	-72.8	-21.7	0	0	0	111.3	R28 E30 L36	R28-D32 WeakPolarHBondContact O-CB 3.3Å; R28-D32 PolarHBondContact O-N 3.03Å; E30-D32 VanDerWaalsContact C-N 3.34Å; E30-D32 PolarHBondContact O-N 3.11Å; D32-L36 PolarHBondContact O-N 3.48Å; D32-L36 VanDerWaalsContact O-N 3.1Å
33	L	75	Confident	77.3	Confident	107 Å²	107	105 Å²	105	56%	0.56	51%	0.514	S	S	*	.	H	α-helix	trans	-68.4	-43.3	173.6	-82.9	157	0	0	0	112.4	E29 E30 A35 L36 I37	E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 WeakPolarHBondContact O-CD1 3.34Å; E29-L33 WeakPolarHBondContact O-CG 3.31Å; E29-L33 PolarHBondContact O-N 3.38Å; E30-L33 PolarHBondContact O-N 3.17Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 2.68Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-I37 VanDerWaalsContact O-CG1 3.31Å; L33-I37 WeakPolarHBondContact O-CG1 3.38Å; L33-I37 PolarHBondContact O-N 3Å
34	E	85.5	Confident	77.2	Confident	120 Å²	120	106.9 Å²	106.9	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-61.5	-40.6	176	-74.9	-179.2	173.7	0	0	111.5	E30 E31 I37 A38	E30-E34 WeakPolarHBondContact O-CG 3.35Å; E30-E34 PolarHBondContact O-N 2.73Å; E31-E34 PolarHBondContact O-N 3.44Å; E34-I37 PolarHBondContact O-N 2.94Å; E34-A38 WeakPolarHBondContact O-CB 3.14Å; E34-A38 PolarHBondContact O-N 3.4Å
35	A	86.8	Confident	77	Confident	58 Å²	58	101.8 Å²	101.8	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-42.9	174.8	0	0	0	0	0	112	E31 L33 A38 E39	E31-A35 WeakPolarHBondContact O-CB 3.49Å; E31-A35 PolarHBondContact O-N 3.06Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 2.68Å; A35-A38 PolarHBondContact O-N 2.75Å; A35-E39 WeakPolarHBondContact O-CB 3.31Å; A35-E39 PolarHBondContact O-N 3.3Å
36	L	79.2	Confident	77.2	Confident	92 Å²	92	100.8 Å²	100.8	48%	0.482	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-44.6	176.7	-144.4	89.5	0	0	0	111.3	D32 L33 A38 E39 F40	D32-L36 PolarHBondContact O-N 3.48Å; D32-L36 VanDerWaalsContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 2.86Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-A38 PolarHBondContact O-N 3.06Å; L36-E39 PolarHBondContact O-N 2.96Å; L36-F40 HydrophobicContact CD2-CD2 4.39Å; L36-F40 HydrophobicContact CD2-CE2 3.67Å; L36-F40 HydrophobicContact CG-CD2 4.3Å; L36-F40 HydrophobicContact CG-CE2 3.9Å; L36-F40 WeakPolarHBondContact O-CD2 3.4Å; L36-F40 PolarHBondContact O-N 2.99Å
37	I	83	Confident	77.5	Confident	90 Å²	90	105 Å²	105	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.1	-69.7	161.8	0	0	0	110.7	L33 E34 E39 F40 Q41	L33-I37 VanDerWaalsContact O-CG1 3.31Å; L33-I37 WeakPolarHBondContact O-CG1 3.38Å; L33-I37 PolarHBondContact O-N 3Å; E34-I37 PolarHBondContact O-N 2.94Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.4Å; I37-F40 PolarHBondContact O-N 3.35Å; I37-Q41 HydrophobicContact CG2-CG 4.36Å; I37-Q41 WeakPolarHBondContact O-CB 3.38Å; I37-Q41 VanDerWaalsContact O-CG 3.24Å; I37-Q41 WeakPolarHBondContact O-CG 3.48Å; I37-Q41 PolarHBondContact O-N 2.82Å
38	A	82.8	Confident	77.7	Confident	39 Å²	39	103.2 Å²	103.2	32%	0.322	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-35.3	177	0	0	0	0	0	112	E34 A35 L36 N42	E34-A38 WeakPolarHBondContact O-CB 3.14Å; E34-A38 PolarHBondContact O-N 3.4Å; A35-A38 PolarHBondContact O-N 2.75Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-A38 PolarHBondContact O-N 3.06Å; A38-N42 WeakPolarHBondContact O-CB 3.46Å; A38-N42 VanDerWaalsContact O-CG 3.24Å; A38-N42 PolarHBondContact O-N 3.12Å; A38-N42 PolarHBondContact O-ND2 3.45Å
39	E	86.8	Confident	78.3	Confident	117 Å²	117	101 Å²	101	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-67.1	-46.7	173.9	-173	168.9	-164.7	0	0	111.7	A35 L36 I37 Q41 N42 L43	A35-E39 WeakPolarHBondContact O-CB 3.31Å; A35-E39 PolarHBondContact O-N 3.3Å; L36-E39 PolarHBondContact O-N 2.96Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.4Å; E39-Q41 PolarHBondContact O-N 2.92Å; E39-N42 PolarHBondContact O-N 3.21Å; E39-N42 VanDerWaalsContact O-N 3.15Å; E39-L43 HydrophobicContact CG-CD1 4.15Å; E39-L43 WeakPolarHBondContact O-CB 3.4Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.46Å
40	F	81.4	Confident	79.4	Confident	123 Å²	123	99.9 Å²	99.9	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-58.4	-45.8	173	-79.9	-63.2	0	0	0	111.8	L36 I37 N42 L43 D44	L36-F40 HydrophobicContact CD2-CD2 4.39Å; L36-F40 HydrophobicContact CD2-CE2 3.67Å; L36-F40 HydrophobicContact CG-CD2 4.3Å; L36-F40 HydrophobicContact CG-CE2 3.9Å; L36-F40 WeakPolarHBondContact O-CD2 3.4Å; L36-F40 PolarHBondContact O-N 2.99Å; I37-F40 PolarHBondContact O-N 3.35Å; F40-N42 VanDerWaalsContact C-N 3.29Å; F40-N42 PolarHBondContact O-N 3.05Å; F40-L43 PolarHBondContact O-N 3.23Å; F40-D44 WeakPolarHBondContact O-CB 3.26Å; F40-D44 PolarHBondContact O-N 2.9Å
41	Q	78.6	Confident	80.5	Confident	126 Å²	126	97.7 Å²	97.7	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-60.9	-38.3	176	-74.4	175	-3.7	0	0	112.1	I37 E39 A45	I37-Q41 HydrophobicContact CG2-CG 4.36Å; I37-Q41 WeakPolarHBondContact O-CB 3.38Å; I37-Q41 VanDerWaalsContact O-CG 3.24Å; I37-Q41 WeakPolarHBondContact O-CG 3.48Å; I37-Q41 PolarHBondContact O-N 2.82Å; E39-Q41 PolarHBondContact O-N 2.92Å; Q41-A45 WeakPolarHBondContact O-CB 3.41Å; Q41-A45 PolarHBondContact O-N 2.89Å
42	N	78.1	Confident	81.6	Confident	101 Å²	101	97 Å²	97	54%	0.54	50%	0.504	S	S	.	.	H	α-helix	trans	-70.4	-38.9	175.8	-79.4	-38.2	0	0	0	112.4	A38 E39 F40 K46	A38-N42 WeakPolarHBondContact O-CB 3.46Å; A38-N42 VanDerWaalsContact O-CG 3.24Å; A38-N42 PolarHBondContact O-N 3.12Å; A38-N42 PolarHBondContact O-ND2 3.45Å; E39-N42 PolarHBondContact O-N 3.21Å; E39-N42 VanDerWaalsContact O-N 3.15Å; F40-N42 VanDerWaalsContact C-N 3.29Å; F40-N42 PolarHBondContact O-N 3.05Å; N42-K46 WeakPolarHBondContact O-CB 3.39Å; N42-K46 VanDerWaalsContact O-CG 3.3Å; N42-K46 WeakPolarHBondContact O-CG 3.21Å; N42-K46 PolarHBondContact O-N 3.15Å
43	L	77.3	Confident	82.4	Confident	79 Å²	79	96 Å²	96	41%	0.414	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-43.9	175.8	-74.1	169.9	0	0	0	110.9	E39 F40 K46 K47	E39-L43 HydrophobicContact CG-CD1 4.15Å; E39-L43 WeakPolarHBondContact O-CB 3.4Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.46Å; F40-L43 PolarHBondContact O-N 3.23Å; L43-K46 PolarHBondContact O-N 3.3Å; L43-K47 WeakPolarHBondContact O-CB 3.34Å; L43-K47 WeakPolarHBondContact O-CG 3.38Å; L43-K47 PolarHBondContact O-N 2.92Å
44	D	73.1	Confident	83.5	Confident	92 Å²	92	96.2 Å²	96.2	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.2	-77.3	-9.6	0	0	0	111.3	F40 K46 K47 T48	F40-D44 WeakPolarHBondContact O-CB 3.26Å; F40-D44 PolarHBondContact O-N 2.9Å; D44-K46 VanDerWaalsContact C-N 3.31Å; D44-K46 PolarHBondContact O-N 2.93Å; D44-K47 PolarHBondContact O-N 3.27Å; D44-T48 WeakPolarHBondContact O-CB 3.28Å; D44-T48 VanDerWaalsContact O-CG2 3.31Å; D44-T48 WeakPolarHBondContact O-CG2 3.4Å; D44-T48 PolarHBondContact O-N 3.1Å; D44-T48 PolarHBondContact O-OG1 2.94Å
45	A	71.5	Confident	84	Confident	55 Å²	55	92 Å²	92	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-38.1	175	0	0	0	0	0	112.1	Q41 T48 Q49	Q41-A45 WeakPolarHBondContact O-CB 3.41Å; Q41-A45 PolarHBondContact O-N 2.89Å; A45-T48 WeakPolarHBondContact CA-OG1 3.11Å; A45-T48 PolarHBondContact O-OG1 3.48Å; A45-Q49 PolarHBondContact O-N 3.48Å
46	K	74.3	Confident	84.5	Confident	151 Å²	151	94.1 Å²	94.1	66%	0.657	50%	0.499	S	S	*	.	H	α-helix	trans	-69	-44.8	173.7	-77.5	176.2	-178.2	177.2	0	112	N42 L43 D44 T48 Q49	N42-K46 WeakPolarHBondContact O-CB 3.39Å; N42-K46 VanDerWaalsContact O-CG 3.3Å; N42-K46 WeakPolarHBondContact O-CG 3.21Å; N42-K46 PolarHBondContact O-N 3.15Å; L43-K46 PolarHBondContact O-N 3.3Å; D44-K46 VanDerWaalsContact C-N 3.31Å; D44-K46 PolarHBondContact O-N 2.93Å; K46-T48 PolarHBondContact O-N 3.42Å; K46-Q49 WeakPolarHBondContact O-CB 3.44Å; K46-Q49 PolarHBondContact O-N 3.03Å
47	K	73.5	Confident	85.2	Confident	143 Å²	143	92.4 Å²	92.4	62%	0.622	49%	0.493	S	S	*	.	H	α-helix	trans	-63.2	-28.7	177	-78.5	-177.7	178.1	-179.3	0	112.2	L43 D44 P110	L43-K47 WeakPolarHBondContact O-CB 3.34Å; L43-K47 WeakPolarHBondContact O-CG 3.38Å; L43-K47 PolarHBondContact O-N 2.92Å; D44-K47 PolarHBondContact O-N 3.27Å; K47-P110 WeakPolarHBondContact O-CB 3.33Å; K47-P110 WeakPolarHBondContact O-CG 3.5Å
48	T	78.4	Confident	85.9	Confident	91 Å²	91	88.4 Å²	88.4	56%	0.558	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	3	-179.8	56.7	0	0	0	0	114	D44 A45 K46 I50	D44-T48 WeakPolarHBondContact O-CB 3.28Å; D44-T48 VanDerWaalsContact O-CG2 3.31Å; D44-T48 WeakPolarHBondContact O-CG2 3.4Å; D44-T48 PolarHBondContact O-N 3.1Å; D44-T48 PolarHBondContact O-OG1 2.94Å; A45-T48 WeakPolarHBondContact CA-OG1 3.11Å; A45-T48 PolarHBondContact O-OG1 3.48Å; K46-T48 PolarHBondContact O-N 3.42Å; T48-I50 PolarHBondContact O-N 3.49Å
49	Q	85	Confident	86.4	Confident	122 Å²	122	88.6 Å²	88.6	57%	0.57	48%	0.475	S	S	*	.			trans	-71.7	129.9	-178.2	-171.5	174	11.3	0	0	111.6	A45 K46	A45-Q49 PolarHBondContact O-N 3.48Å; K46-Q49 WeakPolarHBondContact O-CB 3.44Å; K46-Q49 PolarHBondContact O-N 3.03Å
50	I	92.8	Very high	86.8	Confident	65 Å²	65	84.4 Å²	84.4	33%	0.333	46%	0.458	S	S	.	.			trans	-85.3	129.6	170.9	-61.1	148.6	0	0	0	108.7	T48 E52 I109 H160	T48-I50 PolarHBondContact O-N 3.49Å; I50-E52 HydrophobicContact CG2-CG 4.35Å; I50-I109 HydrophobicContact CG2-CG1 4.24Å; I50-H160 HydrophobicContact CD1-CB 3.51Å; I50-H160 HydrophobicContact CG1-CB 4.18Å; I50-H160 HydrophobicContact CG2-CB 4.45Å
51	V	94.2	Very high	87.5	Confident	66 Å²	66	78.5 Å²	78.5	40%	0.4	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.4	177	-177.7	0	0	0	0	109.5	D108	V51-D108 HydrophobicContact CB-CB 4.29Å; V51-D108 PolarHBondContact N-O 2.91Å; V51-D108 PolarHBondContact O-N 3.14Å
52	E	95.9	Very high	88.4	Confident	109 Å²	109	72.8 Å²	72.8	51%	0.509	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.8	174	-69.7	-171.2	155.8	0	0	110.1	I50 V105 K106 H160	I50-E52 HydrophobicContact CG2-CG 4.35Å; E52-V105 HydrophobicContact CB-CG1 3.86Å; E52-V105 HydrophobicContact CG-CG1 4.3Å; E52-K106 CarbonylContact C-O 3.58Å; E52-K106 WeakPolarHBondContact CA-O 3.43Å; E52-H160 IonicContact OE1-CE1 3.52Å; E52-H160 PolarHBondContact OE1-CE1 3.4Å; E52-H160 IonicContact OE1-ND1 2.82Å
53	T	97.4	Very high	89.3	Confident	69 Å²	69	70 Å²	70	42%	0.423	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	-177.4	-55.3	0	0	0	0	109.8	C55 V105 K106	T53-C55 PolarHBondContact O-N 3.34Å; T53-V105 CarbonylContact O-C 3.56Å; T53-V105 WeakPolarHBondContact O-CA 3.42Å; T53-K106 PolarHBondContact N-O 2.82Å; T53-K106 PolarHBondContact O-N 2.72Å
54	T	97.4	Very high	90.3	Very high	113 Å²	113	66.9 Å²	66.9	69%	0.693	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	131.6	169.4	-60.4	0	0	0	0	108.9
55	C	96.9	Very high	91.4	Very high	30 Å²	30	63.2 Å²	63.2	20%	0.203	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.8	-169	62.1	0	0	0	0	111.4	T53 W104 K106	T53-C55 PolarHBondContact O-N 3.34Å; C55-W104 PolarHBondContact N-O 3.46Å; C55-K106 HydrophobicContact CB-CB 4.49Å; C55-K106 PolarHBondContact SG-N 3.01Å; C55-K106 VanDerWaalsContact SG-N 3.4Å
56	P	95.9	Very high	92.7	Very high	103 Å²	103	61 Å²	61	67%	0.669	34%	0.337	S	S	*	.	S	Bend	trans	-63.4	171.3	165.8	29.7	-36.2	0	0	0	111
57	P	95.5	Very high	93.8	Very high	56 Å²	56	54.4 Å²	54.4	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-48.8	143.7	170.8	-28.3	36.7	0	0	0	112.2	V457	P57-V457 HydrophobicContact CB-CG1 3.98Å; P57-V457 HydrophobicContact CB-CG2 3.82Å; P57-V457 HydrophobicContact CG-CB 4.33Å; P57-V457 HydrophobicContact CG-CG1 3.86Å; P57-V457 HydrophobicContact CG-CG2 3.44Å; P57-V457 VanDerWaalsContact CG-CG2 3.44Å
58	P	96.3	Very high	94.9	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.045	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-56.8	160	179.7	-25.3	35.1	0	0	0	112.8	L77 F95 W104 Y426	P58-L77 HydrophobicContact CB-CD2 3.85Å; P58-L77 HydrophobicContact CG-CD2 3.59Å; P58-F95 HydrophobicContact CB-CD2 4.11Å; P58-F95 HydrophobicContact CB-CE1 4.4Å; P58-F95 HydrophobicContact CB-CE2 3.79Å; P58-F95 HydrophobicContact CB-CZ 3.97Å; P58-F95 HydrophobicContact CG-CB 4.33Å; P58-F95 HydrophobicContact CG-CD1 3.99Å; P58-F95 HydrophobicContact CG-CD2 3.81Å; P58-F95 HydrophobicContact CG-CE1 4.18Å; P58-F95 HydrophobicContact CG-CE2 3.98Å; P58-F95 HydrophobicContact CG-CG 3.8Å; P58-F95 HydrophobicContact CG-CZ 4.19Å; P58-W104 HydrophobicContact CG-CD2 4.1Å; P58-W104 HydrophobicContact CG-CE3 3.81Å; P58-W104 HydrophobicContact CG-CH2 4.23Å; P58-W104 HydrophobicContact CG-CZ3 3.87Å; P58-Y426 VanDerWaalsContact C-OH 3.3Å; P58-Y426 WeakPolarHBondContact CB-OH 3.43Å; P58-Y426 PolarHBondContact O-OH 3.26Å
59	A	93.9	Very high	95.8	Very high	43 Å²	43	44.5 Å²	44.5	36%	0.355	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60.1	158.1	174.6	0	0	0	0	0	111.7	R61 Y426	A59-R61 PolarHBondContact O-N 3.01Å; A59-R61 PolarHBondContact O-NE 2.84Å; A59-R61 VanDerWaalsContact O-NE 3.09Å; A59-Y426 PolarHBondContact O-OH 2.86Å
60	P	95.2	Very high	96.3	Very high	28 Å²	28	40 Å²	40	18%	0.182	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-52.6	135.5	174.9	-21.2	29.7	0	0	0	111.6	F82 T438 L439	P60-F82 HydrophobicContact CB-CD2 3.98Å; P60-F82 HydrophobicContact CB-CE2 4.11Å; P60-F82 HydrophobicContact CG-CE2 4.34Å; P60-F82 WeakPolarHBondContact O-CB 3.31Å; P60-T438 HydrophobicContact CB-CG2 3.87Å; P60-T438 VanDerWaalsContact CB-O 3.28Å; P60-T438 WeakPolarHBondContact CB-O 3.1Å; P60-L439 VanDerWaalsContact CA-O 3.31Å; P60-L439 WeakPolarHBondContact CA-O 3.48Å
61	R	96.3	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.257	C	S	.	.			trans	-158.8	154	179.5	61.3	-170.5	72.6	-160.7	-2.3	114.2	A59 G79 E81 Y91 D93 M415 Y426 G428 T438 L439	A59-R61 PolarHBondContact O-N 3.01Å; A59-R61 PolarHBondContact O-NE 2.84Å; A59-R61 VanDerWaalsContact O-NE 3.09Å; R61-G79 PolarHBondContact NH1-O 3.47Å; R61-E81 WeakPolarHBondContact CA-O 3.31Å; R61-E81 WeakPolarHBondContact CB-O 3.45Å; R61-Y91 HydrophobicContact CB-CD2 4.27Å; R61-Y91 HydrophobicContact CB-CE2 4.03Å; R61-D93 IonicContact CZ-OD1 2.73Å; R61-D93 IonicContact CZ-OD2 3.43Å; R61-D93 IonicContact NH1-OD1 2.79Å; R61-D93 PolarHBondContact NH1-OD1 3.26Å; R61-D93 IonicContact NH1-OD2 2.72Å; R61-D93 IonicContact NH2-OD1 3.06Å; R61-D93 IonicContact NH2-OD2 3.22Å; R61-D93 PolarHBondContact NH2-OD2 3.04Å; R61-M415 HydrophobicContact CG-CE 4.12Å; R61-M415 HydrophobicContact CG-SD 4.19Å; R61-M415 VanDerWaalsContact O-CE 3.25Å; R61-M415 WeakPolarHBondContact O-CE 3.28Å; R61-Y426 HydrophobicContact CG-CD1 4.44Å; R61-Y426 HydrophobicContact CG-CE1 3.78Å; R61-G428 PolarHBondContact O-N 3.01Å; R61-T438 VanDerWaalsContact CA-CG2 3.48Å; R61-L439 PolarHBondContact N-O 2.74Å
62	L	96.6	Very high	96.3	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-127.1	171.1	167.9	68.1	158.4	0	0	0	109.7	A64 G80 E81 M429 T438	L62-A64 PolarHBondContact O-N 3.12Å; L62-G80 WeakPolarHBondContact O-CA 3.38Å; L62-E81 HydrophobicContact CD2-CG 3.71Å; L62-E81 HydrophobicContact CG-CG 3.9Å; L62-E81 PolarHBondContact N-O 2.98Å; L62-E81 VanDerWaalsContact N-O 3.13Å; L62-E81 PolarHBondContact O-N 3.39Å; L62-M429 HydrophobicContact CD1-CB 4.04Å; L62-M429 HydrophobicContact CD1-CG 3.67Å; L62-M429 HydrophobicContact CD1-SD 4.14Å; L62-T438 HydrophobicContact CD2-CG2 3.67Å
63	N	97.3	Very high	96.2	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.23	24%	0.242	C	C	.	.	S	Bend	trans	55.9	23.4	173.6	-66	-31.5	0	0	0	114.8	E81 C117 S118 S413	N63-E81 PolarHBondContact ND2-OE1 3.46Å; N63-C117 HydrophobicContact CB-CB 4.04Å; N63-S118 PolarHBondContact O-N 3.07Å; N63-S413 PolarHBondContact N-O 3.35Å; N63-S413 WeakPolarHBondContact OD1-CB 3.25Å; N63-S413 PolarHBondContact OD1-OG 3.05Å
64	A	97.9	Very high	96.2	Very high	14 Å²	14	39.1 Å²	39.1	12%	0.116	23%	0.23	C	C	.	.			trans	-91.5	-179	169	0	0	0	0	0	111	L62 L77 F78 G79 M415	L62-A64 PolarHBondContact O-N 3.12Å; A64-L77 HydrophobicContact CB-CD1 4.19Å; A64-F78 WeakPolarHBondContact CB-O 3.48Å; A64-G79 WeakPolarHBondContact CB-O 3.47Å; A64-M415 HydrophobicContact CB-CG 4.15Å; A64-M415 HydrophobicContact CB-SD 3.35Å; A64-M415 WeakPolarHBondContact CB-SD 3.36Å; A64-M415 WeakPolarHBondContact O-CG 3.23Å
65	T	97.9	Very high	96.3	Very high	14 Å²	14	33.8 Å²	33.8	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.9	169.7	-54.7	0	0	0	0	111.8	L77 F78 H119 A121	T65-L77 WeakPolarHBondContact O-CA 3.45Å; T65-F78 PolarHBondContact N-O 3.33Å; T65-F78 VanDerWaalsContact N-O 3.11Å; T65-F78 PolarHBondContact O-N 3.06Å; T65-H119 PolarHBondContact OG1-CD2 3.13Å; T65-H119 PolarHBondContact OG1-NE2 2.96Å; T65-A121 HydrophobicContact CG2-CB 3.58Å; T65-A121 PolarHBondContact OG1-N 2.9Å
66	L	98.3	Very high	96.3	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.7	165.1	-174.8	69.8	0	0	0	109.1	L75 I76 L77 M415 T417 F442	L66-L75 HydrophobicContact CD1-CB 3.94Å; L66-L75 HydrophobicContact CD1-CD1 4.42Å; L66-L75 HydrophobicContact CD2-CD1 4.47Å; L66-I76 CarbonylContact C-O 3.55Å; L66-I76 WeakPolarHBondContact CA-O 3.48Å; L66-L77 HydrophobicContact CB-CD1 4.4Å; L66-L77 HydrophobicContact CD1-CB 4.15Å; L66-L77 HydrophobicContact CD1-CD1 4.34Å; L66-M415 HydrophobicContact CB-CB 3.61Å; L66-T417 HydrophobicContact CD2-CG2 3.94Å; L66-T417 HydrophobicContact CG-CG2 3.84Å; L66-T417 WeakPolarHBondContact O-CB 3.23Å; L66-F442 HydrophobicContact CD2-CE2 4.35Å
67	S	97.6	Very high	96.5	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.6	-178.5	-71.6	0	0	0	0	111.7	L75 I76	S67-L75 CarbonylContact O-C 3.54Å; S67-L75 WeakPolarHBondContact O-CA 3.46Å; S67-I76 PolarHBondContact N-O 2.96Å; S67-I76 PolarHBondContact O-N 3.35Å
68	A	97	Very high	96.6	Very high	21 Å²	21	24.9 Å²	24.9	17%	0.174	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130	169.8	0	0	0	0	0	110.4	L75 T417 R419	A68-L75 HydrophobicContact CB-CD2 4.42Å; A68-T417 PolarHBondContact N-OG1 3.4Å; A68-R419 HydrophobicContact CB-CB 4.08Å; A68-R419 HydrophobicContact CB-CG 4.47Å
69	H	96.7	Very high	96.7	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.019	14%	0.137	C	C	.	.			trans	-59.2	138.6	170.2	-170.2	-64	0	0	0	109	E71 K72 E74 I76 R419	H69-E71 PolarHBondContact ND1-N 2.99Å; H69-E71 VanDerWaalsContact ND1-N 3.11Å; H69-K72 HydrophobicContact CB-CB 4.41Å; H69-K72 PolarHBondContact ND1-N 3.49Å; H69-E74 HydrophobicContact CB-CB 4.08Å; H69-E74 WeakPolarHBondContact CB-O 3.37Å; H69-E74 PolarHBondContact N-O 3.31Å; H69-I76 HydrophobicContact CB-CD1 4.25Å; H69-I76 HydrophobicContact CB-CG1 4.31Å; H69-R419 PolarHBondContact O-NH1 3.07Å
70	P	94.6	Very high	96.9	Very high	29 Å²	29	22.5 Å²	22.5	19%	0.188	12%	0.12	C	C	.	.	S	Bend	trans	-67	-44.9	-174.6	21.7	-29.4	0	0	0	111.8	V123 P125 L157 R419	P70-V123 HydrophobicContact CB-CG1 3.78Å; P70-V123 HydrophobicContact CG-CG1 3.71Å; P70-P125 HydrophobicContact CB-CB 4.06Å; P70-P125 HydrophobicContact CB-CG 4.29Å; P70-L157 HydrophobicContact CG-CD1 4.15Å; P70-R419 PolarHBondContact O-NH1 2.84Å
71	E	92.6	Very high	96.9	Very high	123 Å²	123	22.6 Å²	22.6	58%	0.575	12%	0.118	S	C	*	.	S	Bend	trans	-101	-52.5	-174	-57.8	-176	166.7	0	0	113.7	H69 G128 R419	H69-E71 PolarHBondContact ND1-N 2.99Å; H69-E71 VanDerWaalsContact ND1-N 3.11Å; E71-G128 WeakPolarHBondContact OE1-CA 3.29Å; E71-R419 PolarHBondContact O-NH2 2.96Å; E71-R419 VanDerWaalsContact O-NH2 3.08Å
72	K	94.4	Very high	96.9	Very high	99 Å²	99	24.2 Å²	24.2	43%	0.43	13%	0.125	S	C	.	.	S	Bend	trans	-74.4	159.4	-178.7	-57.2	176.9	-173.6	170.2	0	113.3	H69 E74 R419	H69-K72 HydrophobicContact CB-CB 4.41Å; H69-K72 PolarHBondContact ND1-N 3.49Å; K72-E74 HydrophobicContact CB-CB 4.33Å; K72-E74 HydrophobicContact CB-CG 4.03Å; K72-E74 WeakPolarHBondContact CD-OE2 3.42Å; K72-E74 PolarHBondContact O-N 3.4Å; K72-R419 VanDerWaalsContact O-CZ 3.23Å; K72-R419 PolarHBondContact O-NH2 3.21Å
73	D	95.1	Very high	96.6	Very high	32 Å²	32	26.4 Å²	26.4	17%	0.171	13%	0.134	C	C	.	.	S	Bend	trans	-84.6	59.4	174	-65.9	-24	0	0	0	111	I99 K100 R419 Q420	D73-I99 WeakPolarHBondContact O-CB 3.38Å; D73-I99 WeakPolarHBondContact O-CG1 3.41Å; D73-I99 PolarHBondContact O-N 2.74Å; D73-I99 VanDerWaalsContact O-N 3.13Å; D73-K100 WeakPolarHBondContact OD2-CE 3.4Å; D73-K100 IonicContact OD2-NZ 3.02Å; D73-K100 PolarHBondContact OD2-NZ 3.22Å; D73-R419 IonicContact OD1-CZ 2.78Å; D73-R419 IonicContact OD1-NE 3.4Å; D73-R419 IonicContact OD1-NH2 3.12Å; D73-R419 PolarHBondContact OD1-NH2 2.7Å; D73-R419 VanDerWaalsContact OD1-NH2 3.08Å; D73-Q420 PolarHBondContact OD1-NE2 2.82Å; D73-Q420 PolarHBondContact OD2-NE2 3.33Å; D73-Q420 VanDerWaalsContact OD2-NE2 3.08Å
74	E	96.9	Very high	96	Very high	36 Å²	36	26 Å²	26	17%	0.168	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.1	-173.8	-61.8	-177.3	151.1	0	0	110.3	H69 K72 Y97 N98	H69-E74 HydrophobicContact CB-CB 4.08Å; H69-E74 WeakPolarHBondContact CB-O 3.37Å; H69-E74 PolarHBondContact N-O 3.31Å; K72-E74 HydrophobicContact CB-CB 4.33Å; K72-E74 HydrophobicContact CB-CG 4.03Å; K72-E74 WeakPolarHBondContact CD-OE2 3.42Å; K72-E74 PolarHBondContact O-N 3.4Å; E74-Y97 CarbonylContact C-O 3.58Å; E74-Y97 WeakPolarHBondContact CA-O 3.34Å; E74-N98 PolarHBondContact OE1-ND2 3.34Å; E74-N98 VanDerWaalsContact OE1-ND2 3.09Å
75	L	98.4	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.3	168.7	-47.6	177.3	0	0	0	108.9	L66 S67 A68 F96 Y97 I99 T417 R419 Y424 F442	L66-L75 HydrophobicContact CD1-CB 3.94Å; L66-L75 HydrophobicContact CD1-CD1 4.42Å; L66-L75 HydrophobicContact CD2-CD1 4.47Å; S67-L75 CarbonylContact O-C 3.54Å; S67-L75 WeakPolarHBondContact O-CA 3.46Å; A68-L75 HydrophobicContact CB-CD2 4.42Å; L75-F96 CarbonylContact O-C 3.52Å; L75-F96 VanDerWaalsContact O-CA 3.29Å; L75-F96 WeakPolarHBondContact O-CA 3.39Å; L75-Y97 HydrophobicContact CD1-CD1 3.89Å; L75-Y97 HydrophobicContact CG-CD1 4.11Å; L75-Y97 PolarHBondContact N-O 3.26Å; L75-Y97 PolarHBondContact O-N 3.16Å; L75-I99 HydrophobicContact CD2-CD1 3.99Å; L75-I99 HydrophobicContact CG-CD1 4.2Å; L75-I99 HydrophobicContact CG-CG1 4.26Å; L75-T417 HydrophobicContact CD1-CG2 4.3Å; L75-T417 HydrophobicContact CD2-CG2 3.8Å; L75-R419 HydrophobicContact CD2-CB 3.85Å; L75-R419 HydrophobicContact CD2-CG 4.36Å; L75-Y424 HydrophobicContact CD1-CD1 3.7Å; L75-Y424 HydrophobicContact CD1-CD2 3.85Å; L75-Y424 HydrophobicContact CD1-CE1 4.25Å; L75-Y424 HydrophobicContact CD1-CE2 4.4Å; L75-Y424 HydrophobicContact CD1-CG 3.48Å; L75-Y424 VanDerWaalsContact CD1-CG 3.48Å; L75-Y424 HydrophobicContact CD2-CD2 4.24Å; L75-Y424 HydrophobicContact CD2-CE2 4.48Å; L75-F442 HydrophobicContact CD1-CZ 3.9Å
76	I	98.7	Very high	94.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121	-177	-48.2	173.6	0	0	0	107.2	L66 S67 H69 L94 F95 F96 L131 L157	L66-I76 CarbonylContact C-O 3.55Å; L66-I76 WeakPolarHBondContact CA-O 3.48Å; S67-I76 PolarHBondContact N-O 2.96Å; S67-I76 PolarHBondContact O-N 3.35Å; H69-I76 HydrophobicContact CB-CD1 4.25Å; H69-I76 HydrophobicContact CB-CG1 4.31Å; I76-L94 HydrophobicContact CG2-CD1 3.62Å; I76-F95 WeakPolarHBondContact CA-O 3.39Å; I76-F96 HydrophobicContact CB-CE1 4.47Å; I76-F96 HydrophobicContact CD1-CE1 4.13Å; I76-F96 HydrophobicContact CG1-CD1 3.94Å; I76-F96 HydrophobicContact CG1-CE1 3.78Å; I76-F96 HydrophobicContact CG2-CE1 4.1Å; I76-L131 HydrophobicContact CG2-CD2 4.06Å; I76-L157 HydrophobicContact CD1-CD1 3.74Å; I76-L157 HydrophobicContact CD1-CD2 3.84Å; I76-L157 HydrophobicContact CD1-CG 4.48Å
77	L	98.8	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	174.8	179.4	71.5	0	0	0	108.9	P58 A64 T65 L66 F95 W104 M415 Y426	P58-L77 HydrophobicContact CB-CD2 3.85Å; P58-L77 HydrophobicContact CG-CD2 3.59Å; A64-L77 HydrophobicContact CB-CD1 4.19Å; T65-L77 WeakPolarHBondContact O-CA 3.45Å; L66-L77 HydrophobicContact CB-CD1 4.4Å; L66-L77 HydrophobicContact CD1-CB 4.15Å; L66-L77 HydrophobicContact CD1-CD1 4.34Å; L77-F95 HydrophobicContact CB-CB 4.31Å; L77-F95 HydrophobicContact CD2-CD2 4.11Å; L77-F95 PolarHBondContact N-O 3.08Å; L77-F95 PolarHBondContact O-N 2.88Å; L77-W104 HydrophobicContact CB-CH2 4.49Å; L77-W104 HydrophobicContact CB-CZ3 4.06Å; L77-W104 HydrophobicContact CD2-CH2 4.26Å; L77-W104 HydrophobicContact CD2-CZ3 4.14Å; L77-M415 HydrophobicContact CD1-SD 3.72Å; L77-Y426 HydrophobicContact CD1-CD1 4.19Å; L77-Y426 HydrophobicContact CD2-CD1 4.15Å; L77-Y426 HydrophobicContact CD2-CE1 3.85Å
78	F	98.7	Very high	94.1	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.7	179.9	176.7	-99.7	0	0	0	111.9	A64 T65 N92 D93 L94 P113 R116 H119 V133 W162	A64-F78 WeakPolarHBondContact CB-O 3.48Å; T65-F78 PolarHBondContact N-O 3.33Å; T65-F78 VanDerWaalsContact N-O 3.11Å; T65-F78 PolarHBondContact O-N 3.06Å; F78-N92 HydrophobicContact CE2-CB 4.44Å; F78-N92 WeakPolarHBondContact CE2-O 3.35Å; F78-N92 HydrophobicContact CZ-CB 4.44Å; F78-D93 WeakPolarHBondContact CD2-O 3.42Å; F78-L94 HydrophobicContact CB-CD1 4.22Å; F78-L94 HydrophobicContact CD2-CB 4.4Å; F78-L94 HydrophobicContact CD2-CD1 4.29Å; F78-P113 HydrophobicContact CE1-CG 4.23Å; F78-P113 HydrophobicContact CE2-CG 4.08Å; F78-P113 HydrophobicContact CZ-CB 4.4Å; F78-P113 HydrophobicContact CZ-CG 3.5Å; F78-R116 HydrophobicContact CE1-CG 4.18Å; F78-H119 AromaticContact CD1-CE1 3.82Å; F78-H119 AromaticContact CD1-NE2 3.52Å; F78-H119 PolarHBondContact O-CE1 2.97Å; F78-H119 VanDerWaalsContact O-CE1 3.23Å; F78-H119 PolarHBondContact O-NE2 3.43Å; F78-V133 HydrophobicContact CD1-CG2 4.27Å; F78-V133 HydrophobicContact CE1-CG1 4.15Å; F78-V133 HydrophobicContact CE1-CG2 4.41Å; F78-W162 HydrophobicContact CD2-CH2 4.28Å; F78-W162 HydrophobicContact CD2-CZ2 4.1Å; F78-W162 HydrophobicContact CE2-CH2 4.21Å; F78-W162 HydrophobicContact CE2-CZ2 4.02Å
79	G	98.1	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.			trans	69.8	-146.9	171	0	0	0	0	0	115.2	R61 A64 Y91 D93	R61-G79 PolarHBondContact NH1-O 3.47Å; A64-G79 WeakPolarHBondContact CB-O 3.47Å; G79-Y91 VanDerWaalsContact CA-O 3.3Å; G79-Y91 WeakPolarHBondContact CA-O 3.43Å; G79-D93 PolarHBondContact N-O 2.95Å
80	G	97.8	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.			trans	99.8	-173.6	-178.2	0	0	0	0	0	113	L62 Y91 R116	L62-G80 WeakPolarHBondContact O-CA 3.38Å; G80-Y91 PolarHBondContact O-N 3.22Å; G80-R116 PolarHBondContact N-O 2.78Å
81	E	96.3	Very high	94.1	Very high	29 Å²	29	40.5 Å²	40.5	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	165.8	179.5	71.3	-163.8	158.9	0	0	112.4	R61 L62 N63 T88 Y89 L90 C117	R61-E81 WeakPolarHBondContact CA-O 3.31Å; R61-E81 WeakPolarHBondContact CB-O 3.45Å; L62-E81 HydrophobicContact CD2-CG 3.71Å; L62-E81 HydrophobicContact CG-CG 3.9Å; L62-E81 PolarHBondContact N-O 2.98Å; L62-E81 VanDerWaalsContact N-O 3.13Å; L62-E81 PolarHBondContact O-N 3.39Å; N63-E81 PolarHBondContact ND2-OE1 3.46Å; E81-T88 HydrophobicContact CB-CG2 4.28Å; E81-Y89 CarbonylContact C-O 3.56Å; E81-Y89 WeakPolarHBondContact CA-O 3.38Å; E81-Y89 WeakPolarHBondContact CB-O 3.3Å; E81-L90 HydrophobicContact CB-CG 4.34Å; E81-C117 HydrophobicContact CB-CB 3.87Å; E81-C117 HydrophobicContact CG-CB 4.13Å; E81-C117 PolarHBondContact OE2-SG 2.79Å
82	F	94.4	Very high	94.3	Very high	34 Å²	34	37.4 Å²	37.4	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	132.2	175.1	169	-115.8	0	0	0	109.8	P60 N84 T88 Y89 Y91 T438	P60-F82 HydrophobicContact CB-CD2 3.98Å; P60-F82 HydrophobicContact CB-CE2 4.11Å; P60-F82 HydrophobicContact CG-CE2 4.34Å; P60-F82 WeakPolarHBondContact O-CB 3.31Å; F82-N84 HydrophobicContact CE1-CB 3.75Å; F82-N84 HydrophobicContact CZ-CB 3.9Å; F82-T88 CarbonylContact O-C 3.57Å; F82-T88 WeakPolarHBondContact O-CA 3.5Å; F82-Y89 AromaticContact CD1-CD2 3.69Å; F82-Y89 HydrophobicContact CD1-CD2 3.69Å; F82-Y89 HydrophobicContact CD1-CE2 4.36Å; F82-Y89 HydrophobicContact CD1-CG 4.33Å; F82-Y89 HydrophobicContact CE1-CD2 4.25Å; F82-Y89 PolarHBondContact N-O 3.04Å; F82-Y89 PolarHBondContact O-N 2.98Å; F82-Y91 HydrophobicContact CB-CE2 3.7Å; F82-Y91 WeakPolarHBondContact CB-OH 3.31Å; F82-T438 HydrophobicContact CD2-CG2 3.9Å
83	F	90.4	Very high	94.5	Very high	52 Å²	52	34 Å²	34	23%	0.228	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.5	173.2	-177.5	-115.9	0	0	0	110	G85 K87 Q436	F83-G85 VanDerWaalsContact CZ-CA 3.46Å; F83-G85 VanDerWaalsContact CZ-O 3.28Å; F83-G85 WeakPolarHBondContact CZ-O 3.39Å; F83-K87 WeakPolarHBondContact CD2-O 3.41Å; F83-Q436 HydrophobicContact CD1-CB 4.33Å
84	N	86.3	Confident	94.7	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.182	15%	0.154	C	C	.	.			trans	-103.1	13.1	-178.8	74.9	-11.3	0	0	0	114.1	F82 K86 K87 Y89 S467	F82-N84 HydrophobicContact CE1-CB 3.75Å; F82-N84 HydrophobicContact CZ-CB 3.9Å; N84-K86 PolarHBondContact OD1-N 3Å; N84-K87 PolarHBondContact N-O 2.89Å; N84-K87 PolarHBondContact OD1-N 3.49Å; N84-K87 PolarHBondContact OD1-O 3.39Å; N84-Y89 HydrophobicContact CB-CE2 4.36Å; N84-S467 PolarHBondContact O-N 2.9Å
85	G	84.6	Confident	94.7	Very high	17 Å²	17	31.7 Å²	31.7	18%	0.175	15%	0.149	C	C	.	.	S	Bend	trans	95.7	-18.9	-173.1	0	0	0	0	0	114.1	F83	F83-G85 VanDerWaalsContact CZ-CA 3.46Å; F83-G85 VanDerWaalsContact CZ-O 3.28Å; F83-G85 WeakPolarHBondContact CZ-O 3.39Å
86	K	85.6	Confident	94.7	Very high	107 Å²	107	32.1 Å²	32.1	47%	0.465	15%	0.151	S	C	.	.	S	Bend	trans	-129.8	-39.1	-177.8	-170.6	174.5	-162.7	124.2	0	113.9	N84 D469	N84-K86 PolarHBondContact OD1-N 3Å; K86-D469 IonicContact NZ-OD1 2.63Å; K86-D469 PolarHBondContact NZ-OD1 2.63Å
87	K	89.9	Confident	94.7	Very high	101 Å²	101	32.2 Å²	32.2	44%	0.439	15%	0.151	S	C	.	.			trans	-130.3	142.2	-176.4	-66.6	-176.9	-178.7	178.9	0	112.1	F83 N84 Y89 P141	F83-K87 WeakPolarHBondContact CD2-O 3.41Å; N84-K87 PolarHBondContact N-O 2.89Å; N84-K87 PolarHBondContact OD1-N 3.49Å; N84-K87 PolarHBondContact OD1-O 3.39Å; K87-Y89 HydrophobicContact CB-CE2 3.88Å; K87-P141 CarbonylContact C-O 3.54Å; K87-P141 WeakPolarHBondContact CA-O 3.37Å
88	T	91.7	Very high	94.7	Very high	21 Å²	21	33.5 Å²	33.5	13%	0.129	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.5	169.4	-55.2	0	0	0	0	109.8	E81 F82 L90 A139 P141	E81-T88 HydrophobicContact CB-CG2 4.28Å; F82-T88 CarbonylContact O-C 3.57Å; F82-T88 WeakPolarHBondContact O-CA 3.5Å; T88-L90 HydrophobicContact CG2-CD1 4.06Å; T88-A139 HydrophobicContact CG2-CB 4.3Å; T88-P141 PolarHBondContact N-O 3.02Å
89	Y	93.9	Very high	94.6	Very high	98 Å²	98	34.7 Å²	34.7	38%	0.384	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.8	174.9	-60.5	-93.4	0	0	0	108.5	E81 F82 N84 K87	E81-Y89 CarbonylContact C-O 3.56Å; E81-Y89 WeakPolarHBondContact CA-O 3.38Å; E81-Y89 WeakPolarHBondContact CB-O 3.3Å; F82-Y89 AromaticContact CD1-CD2 3.69Å; F82-Y89 HydrophobicContact CD1-CD2 3.69Å; F82-Y89 HydrophobicContact CD1-CE2 4.36Å; F82-Y89 HydrophobicContact CD1-CG 4.33Å; F82-Y89 HydrophobicContact CE1-CD2 4.25Å; F82-Y89 PolarHBondContact N-O 3.04Å; F82-Y89 PolarHBondContact O-N 2.98Å; N84-Y89 HydrophobicContact CB-CE2 4.36Å; K87-Y89 HydrophobicContact CB-CE2 3.88Å
90	L	96.1	Very high	94.5	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.126	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.8	175.7	-69.8	94.8	0	0	0	110.7	E81 T88 P115 C117 E137 F138 A139	E81-L90 HydrophobicContact CB-CG 4.34Å; T88-L90 HydrophobicContact CG2-CD1 4.06Å; L90-P115 HydrophobicContact CB-CB 3.89Å; L90-C117 HydrophobicContact CD2-CB 4.33Å; L90-E137 WeakPolarHBondContact CD2-O 3.46Å; L90-F138 HydrophobicContact CB-CD2 4.45Å; L90-F138 HydrophobicContact CD1-CD2 4.31Å; L90-F138 HydrophobicContact CD1-CE2 4.35Å; L90-F138 HydrophobicContact CD2-CB 4.44Å; L90-F138 HydrophobicContact CD2-CD2 4.2Å; L90-A139 HydrophobicContact CD1-CB 4.11Å; L90-A139 WeakPolarHBondContact CD1-O 3.49Å
91	Y	97.7	Very high	94.5	Very high	41 Å²	41	50 Å²	50	16%	0.161	23%	0.231	C	C	.	.			trans	-111.2	148.8	-177.1	-53	-63.5	0	0	0	111.6	R61 G79 G80 F82 D93 P115 R116	R61-Y91 HydrophobicContact CB-CD2 4.27Å; R61-Y91 HydrophobicContact CB-CE2 4.03Å; G79-Y91 VanDerWaalsContact CA-O 3.3Å; G79-Y91 WeakPolarHBondContact CA-O 3.43Å; G80-Y91 PolarHBondContact O-N 3.22Å; F82-Y91 HydrophobicContact CB-CE2 3.7Å; F82-Y91 WeakPolarHBondContact CB-OH 3.31Å; Y91-D93 WeakPolarHBondContact CB-OD1 3.13Å; Y91-P115 WeakPolarHBondContact O-CA 3.49Å; Y91-R116 PolarHBondContact O-N 2.62Å; Y91-R116 VanDerWaalsContact O-N 3.09Å
92	N	97.2	Very high	94.5	Very high	58 Å²	58	52.8 Å²	52.8	31%	0.31	25%	0.247	S	C	.	.			trans	-127.7	16.8	161.2	64.1	-16.4	0	0	0	111.7	F78 P113 P115	F78-N92 HydrophobicContact CE2-CB 4.44Å; F78-N92 WeakPolarHBondContact CE2-O 3.35Å; F78-N92 HydrophobicContact CZ-CB 4.44Å; N92-P113 WeakPolarHBondContact CB-O 3.28Å; N92-P113 PolarHBondContact ND2-O 2.79Å; N92-P115 HydrophobicContact CB-CB 4.46Å; N92-P115 HydrophobicContact CB-CG 4.21Å
93	D	97.9	Very high	94.6	Very high	28 Å²	28	52.7 Å²	52.7	15%	0.15	25%	0.25	C	S	.	.			trans	-69.2	150.5	177.6	54.5	9.5	0	0	0	110.8	R61 F78 G79 Y91 F95	R61-D93 IonicContact CZ-OD1 2.73Å; R61-D93 IonicContact CZ-OD2 3.43Å; R61-D93 IonicContact NH1-OD1 2.79Å; R61-D93 PolarHBondContact NH1-OD1 3.26Å; R61-D93 IonicContact NH1-OD2 2.72Å; R61-D93 IonicContact NH2-OD1 3.06Å; R61-D93 IonicContact NH2-OD2 3.22Å; R61-D93 PolarHBondContact NH2-OD2 3.04Å; F78-D93 WeakPolarHBondContact CD2-O 3.42Å; G79-D93 PolarHBondContact N-O 2.95Å; Y91-D93 WeakPolarHBondContact CB-OD1 3.13Å; D93-F95 HydrophobicContact CB-CE2 3.77Å; D93-F95 HydrophobicContact CB-CZ 4.07Å; D93-F95 WeakPolarHBondContact OD1-CE2 3.24Å; D93-F95 WeakPolarHBondContact OD2-CE2 3.43Å; D93-F95 VanDerWaalsContact OD2-CZ 3.27Å; D93-F95 WeakPolarHBondContact OD2-CZ 2.82Å
94	L	98.6	Very high	95	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125	-179.7	177.4	69.1	0	0	0	108.6	I76 F78 F96 S107 I109 L155 W162	I76-L94 HydrophobicContact CG2-CD1 3.62Å; F78-L94 HydrophobicContact CB-CD1 4.22Å; F78-L94 HydrophobicContact CD2-CB 4.4Å; F78-L94 HydrophobicContact CD2-CD1 4.29Å; L94-F96 HydrophobicContact CD1-CZ 4.48Å; L94-F96 HydrophobicContact CD2-CE2 3.74Å; L94-F96 HydrophobicContact CD2-CZ 3.97Å; L94-F96 HydrophobicContact CG-CE2 3.9Å; L94-F96 HydrophobicContact CG-CZ 4.27Å; L94-S107 PolarHBondContact O-N 2.89Å; L94-I109 HydrophobicContact CD2-CD1 3.67Å; L94-I109 HydrophobicContact CD2-CG1 4.4Å; L94-L155 HydrophobicContact CD1-CD2 4.19Å; L94-L155 HydrophobicContact CD2-CD2 3.54Å; L94-W162 HydrophobicContact CD2-CZ2 4.46Å
95	F	98.6	Very high	95.6	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.4	175.8	-54.6	-93.7	0	0	0	112.3	P58 I76 L77 D93 W104 V105 K106	P58-F95 HydrophobicContact CB-CD2 4.11Å; P58-F95 HydrophobicContact CB-CE1 4.4Å; P58-F95 HydrophobicContact CB-CE2 3.79Å; P58-F95 HydrophobicContact CB-CZ 3.97Å; P58-F95 HydrophobicContact CG-CB 4.33Å; P58-F95 HydrophobicContact CG-CD1 3.99Å; P58-F95 HydrophobicContact CG-CD2 3.81Å; P58-F95 HydrophobicContact CG-CE1 4.18Å; P58-F95 HydrophobicContact CG-CE2 3.98Å; P58-F95 HydrophobicContact CG-CG 3.8Å; P58-F95 HydrophobicContact CG-CZ 4.19Å; I76-F95 WeakPolarHBondContact CA-O 3.39Å; L77-F95 HydrophobicContact CB-CB 4.31Å; L77-F95 HydrophobicContact CD2-CD2 4.11Å; L77-F95 PolarHBondContact N-O 3.08Å; L77-F95 PolarHBondContact O-N 2.88Å; D93-F95 HydrophobicContact CB-CE2 3.77Å; D93-F95 HydrophobicContact CB-CZ 4.07Å; D93-F95 WeakPolarHBondContact OD1-CE2 3.24Å; D93-F95 WeakPolarHBondContact OD2-CE2 3.43Å; D93-F95 VanDerWaalsContact OD2-CZ 3.27Å; D93-F95 WeakPolarHBondContact OD2-CZ 2.82Å; F95-W104 HydrophobicContact CB-CE3 3.76Å; F95-W104 HydrophobicContact CB-CZ3 3.93Å; F95-V105 CarbonylContact C-O 3.48Å; F95-V105 VanDerWaalsContact CA-O 3.29Å; F95-V105 WeakPolarHBondContact CA-O 3.36Å; F95-K106 HydrophobicContact CD1-CB 3.77Å; F95-K106 HydrophobicContact CD1-CG 4.02Å; F95-K106 HydrophobicContact CE1-CB 3.71Å; F95-K106 HydrophobicContact CE1-CD 4.15Å; F95-K106 HydrophobicContact CE1-CG 3.7Å; F95-K106 HydrophobicContact CZ-CG 4.31Å
96	F	98.4	Very high	96.2	Very high	10 Å²	10	52.7 Å²	52.7	4%	0.044	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.7	169.4	-63.8	-87.1	0	0	0	109.3	L75 I76 L94 V105 L157	L75-F96 CarbonylContact O-C 3.52Å; L75-F96 VanDerWaalsContact O-CA 3.29Å; L75-F96 WeakPolarHBondContact O-CA 3.39Å; I76-F96 HydrophobicContact CB-CE1 4.47Å; I76-F96 HydrophobicContact CD1-CE1 4.13Å; I76-F96 HydrophobicContact CG1-CD1 3.94Å; I76-F96 HydrophobicContact CG1-CE1 3.78Å; I76-F96 HydrophobicContact CG2-CE1 4.1Å; L94-F96 HydrophobicContact CD1-CZ 4.48Å; L94-F96 HydrophobicContact CD2-CE2 3.74Å; L94-F96 HydrophobicContact CD2-CZ 3.97Å; L94-F96 HydrophobicContact CG-CE2 3.9Å; L94-F96 HydrophobicContact CG-CZ 4.27Å; F96-V105 PolarHBondContact N-O 3.46Å; F96-V105 PolarHBondContact O-N 3.06Å; F96-L157 HydrophobicContact CE1-CD2 4.11Å; F96-L157 HydrophobicContact CZ-CD2 4.19Å
97	Y	98.6	Very high	96.8	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.8	172.4	174.1	-107.2	0	0	0	109.8	E74 L75 I99 N102 W104 Y424 F442 L456	E74-Y97 CarbonylContact C-O 3.58Å; E74-Y97 WeakPolarHBondContact CA-O 3.34Å; L75-Y97 HydrophobicContact CD1-CD1 3.89Å; L75-Y97 HydrophobicContact CG-CD1 4.11Å; L75-Y97 PolarHBondContact N-O 3.26Å; L75-Y97 PolarHBondContact O-N 3.16Å; Y97-I99 HydrophobicContact CD1-CG1 4.08Å; Y97-I99 HydrophobicContact CE1-CB 4.46Å; Y97-I99 HydrophobicContact CE1-CG1 4.03Å; Y97-I99 PolarHBondContact O-N 3.4Å; Y97-N102 WeakPolarHBondContact CE2-OD1 3.48Å; Y97-N102 PolarHBondContact OH-OD1 3.35Å; Y97-W104 AromaticContact CD2-CD1 3.92Å; Y97-W104 AromaticContact CD2-CD2 3.83Å; Y97-W104 HydrophobicContact CD2-CD2 3.83Å; Y97-W104 AromaticContact CD2-CE2 3.52Å; Y97-W104 HydrophobicContact CD2-CE3 4.48Å; Y97-W104 HydrophobicContact CD2-CG 4.1Å; Y97-W104 AromaticContact CD2-CZ2 3.96Å; Y97-W104 HydrophobicContact CD2-CZ2 3.96Å; Y97-W104 AromaticContact CD2-NE1 3.55Å; Y97-W104 HydrophobicContact CG-CD2 4.32Å; Y97-W104 HydrophobicContact CG-CH2 4.4Å; Y97-W104 HydrophobicContact CG-CZ2 4.12Å; Y97-Y424 HydrophobicContact CE1-CE1 4.35Å; Y97-F442 AromaticContact CD1-CE1 3.85Å; Y97-F442 HydrophobicContact CD1-CE1 3.85Å; Y97-F442 HydrophobicContact CD1-CZ 4.11Å; Y97-F442 HydrophobicContact CD2-CE1 4.03Å; Y97-F442 AromaticContact CE1-CE1 3.7Å; Y97-F442 HydrophobicContact CE1-CE1 3.7Å; Y97-F442 HydrophobicContact CE1-CZ 4.15Å; Y97-F442 AromaticContact CE2-CE1 3.9Å; Y97-F442 HydrophobicContact CE2-CE1 3.9Å; Y97-F442 HydrophobicContact CG-CE1 4Å; Y97-F442 AromaticContact CZ-CE1 3.72Å; Y97-L456 HydrophobicContact CE1-CD1 4.39Å
98	N	98	Very high	97.1	Very high	27 Å²	27	46 Å²	46	14%	0.144	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.6	176.3	-168.1	-70.7	0	0	0	110.7	E74 K100 K101 N102 S103	E74-N98 PolarHBondContact OE1-ND2 3.34Å; E74-N98 VanDerWaalsContact OE1-ND2 3.09Å; N98-K100 VanDerWaalsContact C-N 3.32Å; N98-K100 PolarHBondContact O-N 2.86Å; N98-K100 PolarHBondContact OD1-N 2.73Å; N98-K101 HydrophobicContact CB-CB 4.18Å; N98-K101 PolarHBondContact O-N 3.09Å; N98-K101 WeakPolarHBondContact OD1-CB 3.4Å; N98-K101 WeakPolarHBondContact OD1-CG 3.43Å; N98-K101 PolarHBondContact OD1-N 2.86Å; N98-N102 WeakPolarHBondContact O-CA 3.35Å; N98-N102 PolarHBondContact O-N 3.37Å; N98-S103 PolarHBondContact N-O 3.5Å; N98-S103 PolarHBondContact O-N 3.44Å
99	I	97.6	Very high	97.3	Very high	26 Å²	26	45.5 Å²	45.5	13%	0.133	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.9	-173.4	-63.9	170.9	0	0	0	111.8	D73 L75 Y97 R419 Y424	D73-I99 WeakPolarHBondContact O-CB 3.38Å; D73-I99 WeakPolarHBondContact O-CG1 3.41Å; D73-I99 PolarHBondContact O-N 2.74Å; D73-I99 VanDerWaalsContact O-N 3.13Å; L75-I99 HydrophobicContact CD2-CD1 3.99Å; L75-I99 HydrophobicContact CG-CD1 4.2Å; L75-I99 HydrophobicContact CG-CG1 4.26Å; Y97-I99 HydrophobicContact CD1-CG1 4.08Å; Y97-I99 HydrophobicContact CE1-CB 4.46Å; Y97-I99 HydrophobicContact CE1-CG1 4.03Å; Y97-I99 PolarHBondContact O-N 3.4Å; I99-R419 HydrophobicContact CD1-CB 4.12Å; I99-R419 HydrophobicContact CD1-CG 3.63Å; I99-Y424 HydrophobicContact CD1-CE2 4.29Å; I99-Y424 WeakPolarHBondContact CG2-OH 3.24Å
100	K	95.9	Very high	97.3	Very high	162 Å²	162	42.2 Å²	42.2	70%	0.704	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.3	-176.7	-69.6	177.9	-178.8	159.1	0	112.4	D73 N98	D73-K100 WeakPolarHBondContact OD2-CE 3.4Å; D73-K100 IonicContact OD2-NZ 3.02Å; D73-K100 PolarHBondContact OD2-NZ 3.22Å; N98-K100 VanDerWaalsContact C-N 3.32Å; N98-K100 PolarHBondContact O-N 2.86Å; N98-K100 PolarHBondContact OD1-N 2.73Å
101	K	96.3	Very high	97.1	Very high	160 Å²	160	47.1 Å²	47.1	70%	0.696	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.6	-177.7	-64.8	178.8	-178.8	177.7	0	113.2	N98 S103	N98-K101 HydrophobicContact CB-CB 4.18Å; N98-K101 PolarHBondContact O-N 3.09Å; N98-K101 WeakPolarHBondContact OD1-CB 3.4Å; N98-K101 WeakPolarHBondContact OD1-CG 3.43Å; N98-K101 PolarHBondContact OD1-N 2.86Å; K101-S103 VanDerWaalsContact C-N 3.34Å; K101-S103 WeakPolarHBondContact CB-OG 3.34Å; K101-S103 PolarHBondContact O-N 2.84Å
102	N	96.3	Very high	97.1	Very high	86 Å²	86	47.3 Å²	47.3	46%	0.46	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	54.5	-170.9	-173.1	21.5	0	0	0	111.4	Y97 N98	Y97-N102 WeakPolarHBondContact CE2-OD1 3.48Å; Y97-N102 PolarHBondContact OH-OD1 3.35Å; N98-N102 WeakPolarHBondContact O-CA 3.35Å; N98-N102 PolarHBondContact O-N 3.37Å
103	S	97.4	Very high	97.1	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.5	-173.5	65.7	0	0	0	0	111.8	N98 K101	N98-S103 PolarHBondContact N-O 3.5Å; N98-S103 PolarHBondContact O-N 3.44Å; K101-S103 VanDerWaalsContact C-N 3.34Å; K101-S103 WeakPolarHBondContact CB-OG 3.34Å; K101-S103 PolarHBondContact O-N 2.84Å
104	W	98.4	Very high	97.1	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.4	176.6	-68.4	92.6	0	0	0	111.7	C55 P58 L77 F95 Y97 Y426 F442	C55-W104 PolarHBondContact N-O 3.46Å; P58-W104 HydrophobicContact CG-CD2 4.1Å; P58-W104 HydrophobicContact CG-CE3 3.81Å; P58-W104 HydrophobicContact CG-CH2 4.23Å; P58-W104 HydrophobicContact CG-CZ3 3.87Å; L77-W104 HydrophobicContact CB-CH2 4.49Å; L77-W104 HydrophobicContact CB-CZ3 4.06Å; L77-W104 HydrophobicContact CD2-CH2 4.26Å; L77-W104 HydrophobicContact CD2-CZ3 4.14Å; F95-W104 HydrophobicContact CB-CE3 3.76Å; F95-W104 HydrophobicContact CB-CZ3 3.93Å; Y97-W104 AromaticContact CD2-CD1 3.92Å; Y97-W104 AromaticContact CD2-CD2 3.83Å; Y97-W104 HydrophobicContact CD2-CD2 3.83Å; Y97-W104 AromaticContact CD2-CE2 3.52Å; Y97-W104 HydrophobicContact CD2-CE3 4.48Å; Y97-W104 HydrophobicContact CD2-CG 4.1Å; Y97-W104 AromaticContact CD2-CZ2 3.96Å; Y97-W104 HydrophobicContact CD2-CZ2 3.96Å; Y97-W104 AromaticContact CD2-NE1 3.55Å; Y97-W104 HydrophobicContact CG-CD2 4.32Å; Y97-W104 HydrophobicContact CG-CH2 4.4Å; Y97-W104 HydrophobicContact CG-CZ2 4.12Å; W104-Y426 HydrophobicContact CZ2-CE2 4.49Å; W104-F442 AromaticContact CZ2-CD1 3.87Å; W104-F442 HydrophobicContact CZ2-CD1 3.87Å; W104-F442 AromaticContact CZ2-CE1 3.74Å; W104-F442 HydrophobicContact CZ2-CE1 3.74Å; W104-F442 HydrophobicContact CZ2-CZ 4.3Å
105	V	98.4	Very high	97	Very high	31 Å²	31	47.1 Å²	47.1	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.5	171.8	172.4	0	0	0	0	107.6	E52 T53 F95 F96	E52-V105 HydrophobicContact CB-CG1 3.86Å; E52-V105 HydrophobicContact CG-CG1 4.3Å; T53-V105 CarbonylContact O-C 3.56Å; T53-V105 WeakPolarHBondContact O-CA 3.42Å; F95-V105 CarbonylContact C-O 3.48Å; F95-V105 VanDerWaalsContact CA-O 3.29Å; F95-V105 WeakPolarHBondContact CA-O 3.36Å; F96-V105 PolarHBondContact N-O 3.46Å; F96-V105 PolarHBondContact O-N 3.06Å
106	K	98.4	Very high	97	Very high	63 Å²	63	46.5 Å²	46.5	27%	0.274	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.5	167.9	-171.3	-173.6	179.3	-125.7	0	108.2	E52 T53 C55 F95 D108	E52-K106 CarbonylContact C-O 3.58Å; E52-K106 WeakPolarHBondContact CA-O 3.43Å; T53-K106 PolarHBondContact N-O 2.82Å; T53-K106 PolarHBondContact O-N 2.72Å; C55-K106 HydrophobicContact CB-CB 4.49Å; C55-K106 PolarHBondContact SG-N 3.01Å; C55-K106 VanDerWaalsContact SG-N 3.4Å; F95-K106 HydrophobicContact CD1-CB 3.77Å; F95-K106 HydrophobicContact CD1-CG 4.02Å; F95-K106 HydrophobicContact CE1-CB 3.71Å; F95-K106 HydrophobicContact CE1-CD 4.15Å; F95-K106 HydrophobicContact CE1-CG 3.7Å; F95-K106 HydrophobicContact CZ-CG 4.31Å; K106-D108 VanDerWaalsContact CE-OD1 3.3Å; K106-D108 WeakPolarHBondContact CE-OD1 3.45Å; K106-D108 VanDerWaalsContact NZ-CG 3.31Å; K106-D108 IonicContact NZ-OD1 3.4Å; K106-D108 PolarHBondContact NZ-OD1 3.06Å; K106-D108 IonicContact NZ-OD2 2.75Å; K106-D108 PolarHBondContact NZ-OD2 3.47Å
107	S	97.8	Very high	96.9	Very high	3 Å²	3	46 Å²	46	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.3	178.9	-178.3	0	0	0	0	109.6	L94 I109	L94-S107 PolarHBondContact O-N 2.89Å; S107-I109 PolarHBondContact O-N 3.28Å; S107-I109 WeakPolarHBondContact OG-CG1 3Å
108	D	96.6	Very high	96.9	Very high	66 Å²	66	46.6 Å²	46.6	35%	0.353	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	98.4	173.7	-66.8	-51.1	0	0	0	108.4	V51 K106	V51-D108 HydrophobicContact CB-CB 4.29Å; V51-D108 PolarHBondContact N-O 2.91Å; V51-D108 PolarHBondContact O-N 3.14Å; K106-D108 VanDerWaalsContact CE-OD1 3.3Å; K106-D108 WeakPolarHBondContact CE-OD1 3.45Å; K106-D108 VanDerWaalsContact NZ-CG 3.31Å; K106-D108 IonicContact NZ-OD1 3.4Å; K106-D108 PolarHBondContact NZ-OD1 3.06Å; K106-D108 IonicContact NZ-OD2 2.75Å; K106-D108 PolarHBondContact NZ-OD2 3.47Å
109	I	95.8	Very high	96.9	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.051	24%	0.238	C	C	.	.			trans	-101.2	130.9	177.3	-59.3	177.4	0	0	0	108.4	I50 L94 S107 P112 L155 H160 W162	I50-I109 HydrophobicContact CG2-CG1 4.24Å; L94-I109 HydrophobicContact CD2-CD1 3.67Å; L94-I109 HydrophobicContact CD2-CG1 4.4Å; S107-I109 PolarHBondContact O-N 3.28Å; S107-I109 WeakPolarHBondContact OG-CG1 3Å; I109-P112 WeakPolarHBondContact O-CD 3.5Å; I109-L155 HydrophobicContact CD1-CD1 3.54Å; I109-L155 HydrophobicContact CD1-CD2 4.44Å; I109-H160 HydrophobicContact CD1-CB 3.82Å; I109-H160 HydrophobicContact CG1-CB 4.34Å; I109-H160 WeakPolarHBondContact CG2-O 3.1Å; I109-W162 HydrophobicContact CG2-CG 4.46Å
110	P	93.6	Very high	96.9	Very high	29 Å²	29	45.4 Å²	45.4	19%	0.188	24%	0.237	C	C	.	.	S	Bend	trans	-55.8	150.5	177.7	-25.5	32.7	0	0	0	114	K47	K47-P110 WeakPolarHBondContact O-CB 3.33Å; K47-P110 WeakPolarHBondContact O-CG 3.5Å
111	N	92.6	Very high	97	Very high	126 Å²	126	37.9 Å²	37.9	67%	0.674	21%	0.205	S	C	*	.	S	Bend	trans	54.3	47.6	176.6	-52.2	-45.5	0	0	0	114.6	W153 W162	N111-W153 WeakPolarHBondContact O-CZ3 3.16Å; N111-W162 WeakPolarHBondContact O-CB 3.36Å
112	P	96.3	Very high	97	Very high	46 Å²	46	30.9 Å²	30.9	30%	0.299	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-69.3	159.5	177.4	33.7	-35.6	0	0	0	110.8	I109	I109-P112 WeakPolarHBondContact O-CD 3.5Å
113	P	97.6	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-51.9	148.1	164.1	18	-29.9	0	0	0	112.1	F78 N92 W153 W162	F78-P113 HydrophobicContact CE1-CG 4.23Å; F78-P113 HydrophobicContact CE2-CG 4.08Å; F78-P113 HydrophobicContact CZ-CB 4.4Å; F78-P113 HydrophobicContact CZ-CG 3.5Å; N92-P113 WeakPolarHBondContact CB-O 3.28Å; N92-P113 PolarHBondContact ND2-O 2.79Å; P113-W153 HydrophobicContact CB-CD2 3.77Å; P113-W153 HydrophobicContact CB-CE3 4.41Å; P113-W153 HydrophobicContact CB-CG 3.82Å; P113-W153 HydrophobicContact CB-CZ2 4.32Å; P113-W153 HydrophobicContact CG-CD2 4.29Å; P113-W153 HydrophobicContact CG-CG 4.25Å; P113-W162 HydrophobicContact CG-CD2 4.44Å; P113-W162 HydrophobicContact CG-CE3 4.11Å; P113-W162 HydrophobicContact CG-CH2 4.06Å; P113-W162 HydrophobicContact CG-CZ2 4.39Å; P113-W162 HydrophobicContact CG-CZ3 3.91Å
114	P	97.4	Very high	97	Very high	49 Å²	49	26.9 Å²	26.9	32%	0.318	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-54.5	154.9	171.8	-29.8	33	0	0	0	114	R116 Y149	P114-R116 PolarHBondContact O-N 3.26Å; P114-R116 PolarHBondContact O-NE 3.17Å; P114-Y149 HydrophobicContact CB-CE1 4.04Å; P114-Y149 WeakPolarHBondContact CB-OH 3.18Å; P114-Y149 HydrophobicContact CG-CE1 4.33Å
115	P	97.6	Very high	96.8	Very high	38 Å²	38	30.3 Å²	30.3	25%	0.247	18%	0.176	C	C	.	.	S	Bend	trans	-48.3	131	174.5	-28	35.6	0	0	0	112.7	L90 Y91 N92 F138 Y149	L90-P115 HydrophobicContact CB-CB 3.89Å; Y91-P115 WeakPolarHBondContact O-CA 3.49Å; N92-P115 HydrophobicContact CB-CB 4.46Å; N92-P115 HydrophobicContact CB-CG 4.21Å; P115-F138 HydrophobicContact CB-CD2 4.25Å; P115-F138 HydrophobicContact CB-CE2 4.35Å; P115-Y149 WeakPolarHBondContact O-CE2 3.31Å; P115-Y149 PolarHBondContact O-OH 3.26Å
116	R	97.9	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.			trans	-157.6	141.1	-173.6	61.3	-174.8	70.1	-156.1	1.5	113.4	F78 G80 Y91 P114 H119 G135 E137 Y149 D151	F78-R116 HydrophobicContact CE1-CG 4.18Å; G80-R116 PolarHBondContact N-O 2.78Å; Y91-R116 PolarHBondContact O-N 2.62Å; Y91-R116 VanDerWaalsContact O-N 3.09Å; P114-R116 PolarHBondContact O-N 3.26Å; P114-R116 PolarHBondContact O-NE 3.17Å; R116-H119 HydrophobicContact CG-CB 4.26Å; R116-H119 PolarHBondContact O-ND1 2.86Å; R116-G135 PolarHBondContact NH1-O 3.33Å; R116-E137 VanDerWaalsContact CA-O 3.32Å; R116-E137 WeakPolarHBondContact CA-O 3.47Å; R116-Y149 HydrophobicContact CB-CD2 4.02Å; R116-Y149 HydrophobicContact CB-CE2 3.87Å; R116-D151 IonicContact CZ-OD1 3.36Å; R116-D151 IonicContact CZ-OD2 2.66Å; R116-D151 IonicContact NH1-OD1 3.71Å; R116-D151 PolarHBondContact NH1-OD1 2.87Å; R116-D151 IonicContact NH1-OD2 3.58Å; R116-D151 IonicContact NH2-OD1 3.52Å; R116-D151 PolarHBondContact NH2-OD1 3.3Å; R116-D151 IonicContact NH2-OD2 3.54Å; R116-D151 PolarHBondContact NH2-OD2 2.82Å
117	C	97.5	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-115.9	172.1	166.6	64.6	0	0	0	0	109.9	N63 E81 L90 H119 G136 E137	N63-C117 HydrophobicContact CB-CB 4.04Å; E81-C117 HydrophobicContact CB-CB 3.87Å; E81-C117 HydrophobicContact CG-CB 4.13Å; E81-C117 PolarHBondContact OE2-SG 2.79Å; L90-C117 HydrophobicContact CD2-CB 4.33Å; C117-H119 PolarHBondContact O-N 3.28Å; C117-G136 CarbonylContact O-C 3.51Å; C117-G136 WeakPolarHBondContact O-CA 3.47Å; C117-E137 PolarHBondContact N-O 3.42Å; C117-E137 VanDerWaalsContact N-O 3.1Å; C117-E137 PolarHBondContact O-N 3.37Å
118	S	97.6	Very high	95.4	Very high	16 Å²	16	34.8 Å²	34.8	11%	0.112	22%	0.218	C	C	.	.	S	Bend	trans	56.2	20.5	174.9	-60.3	0	0	0	0	113.8	N63 E137 G176	N63-S118 PolarHBondContact O-N 3.07Å; S118-E137 WeakPolarHBondContact CB-OE1 3.21Å; S118-E137 PolarHBondContact OG-OE1 2.81Å; S118-G176 PolarHBondContact O-N 2.86Å
119	H	98.3	Very high	95.4	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	20%	0.202	C	C	.	.			trans	-81.7	173.7	174.5	67.2	-92.8	0	0	0	109.7	T65 F78 R116 C117 V133 G135	T65-H119 PolarHBondContact OG1-CD2 3.13Å; T65-H119 PolarHBondContact OG1-NE2 2.96Å; F78-H119 AromaticContact CD1-CE1 3.82Å; F78-H119 AromaticContact CD1-NE2 3.52Å; F78-H119 PolarHBondContact O-CE1 2.97Å; F78-H119 VanDerWaalsContact O-CE1 3.23Å; F78-H119 PolarHBondContact O-NE2 3.43Å; R116-H119 HydrophobicContact CG-CB 4.26Å; R116-H119 PolarHBondContact O-ND1 2.86Å; C117-H119 PolarHBondContact O-N 3.28Å; H119-V133 HydrophobicContact CB-CG1 4.35Å; H119-G135 WeakPolarHBondContact CB-O 3.29Å
120	Q	97.8	Very high	95.5	Very high	26 Å²	26	32.2 Å²	32.2	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.6	170.8	-69.1	-63.6	-38.4	0	0	111	V133 F134 H177 R178 M179	Q120-V133 WeakPolarHBondContact O-CA 3.11Å; Q120-F134 PolarHBondContact N-O 2.69Å; Q120-F134 PolarHBondContact O-N 3.32Å; Q120-H177 WeakPolarHBondContact CG-O 3.27Å; Q120-H177 PolarHBondContact NE2-O 2.81Å; Q120-H177 VanDerWaalsContact NE2-O 3.16Å; Q120-R178 VanDerWaalsContact OE1-NE 3.1Å; Q120-R178 VanDerWaalsContact OE1-NH1 3.09Å; Q120-M179 HydrophobicContact CB-CB 3.69Å; Q120-M179 HydrophobicContact CG-CB 4.37Å; Q120-M179 WeakPolarHBondContact O-CE 3.49Å
121	A	97.8	Very high	95.7	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.6	168.8	0	0	0	0	0	111.6	T65 L131 W132 V133	T65-A121 HydrophobicContact CG2-CB 3.58Å; T65-A121 PolarHBondContact OG1-N 2.9Å; A121-L131 HydrophobicContact CB-CD1 3.7Å; A121-L131 HydrophobicContact CB-CD2 4.39Å; A121-L131 HydrophobicContact CB-CG 4.06Å; A121-W132 CarbonylContact C-O 3.51Å; A121-W132 WeakPolarHBondContact CA-O 3.09Å; A121-V133 HydrophobicContact CB-CG2 3.87Å
122	V	97.4	Very high	96	Very high	14 Å²	14	25 Å²	25	9%	0.085	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.9	178.2	175.6	0	0	0	0	109.4	W132 M179 L181 L186	V122-W132 PolarHBondContact N-O 3.36Å; V122-W132 PolarHBondContact O-N 3.25Å; V122-M179 HydrophobicContact CB-CE 4.03Å; V122-M179 HydrophobicContact CG2-CB 3.99Å; V122-M179 HydrophobicContact CG2-CE 3.77Å; V122-M179 HydrophobicContact CG2-CG 3.91Å; V122-M179 VanDerWaalsContact CG2-O 3.25Å; V122-M179 WeakPolarHBondContact CG2-O 3.37Å; V122-L181 HydrophobicContact CG1-CB 3.76Å; V122-L186 HydrophobicContact CB-CD2 4.44Å; V122-L186 HydrophobicContact CG1-CD2 4.12Å
123	V	97.1	Very high	96.1	Very high	28 Å²	28	22.8 Å²	22.8	17%	0.17	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	174.5	170.4	0	0	0	0	110.4	P70 Q130 L131	P70-V123 HydrophobicContact CB-CG1 3.78Å; P70-V123 HydrophobicContact CG-CG1 3.71Å; V123-Q130 CarbonylContact C-O 3.53Å; V123-Q130 WeakPolarHBondContact CA-O 3.5Å; V123-L131 HydrophobicContact CG2-CD1 3.68Å
124	V	96.4	Very high	96.2	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.036	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.6	171.4	-177.9	0	0	0	0	107.8	Q126 G129 Q130 W132 L181 L186 L210	V124-Q126 HydrophobicContact CG1-CB 3.97Å; V124-Q126 PolarHBondContact O-N 2.86Å; V124-G129 WeakPolarHBondContact O-CA 3.4Å; V124-Q130 HydrophobicContact CB-CB 4.37Å; V124-Q130 PolarHBondContact N-O 3Å; V124-Q130 PolarHBondContact O-N 3.39Å; V124-W132 HydrophobicContact CG2-CG 4.28Å; V124-L181 HydrophobicContact CG1-CD2 4.37Å; V124-L181 HydrophobicContact CG2-CD1 4.12Å; V124-L181 HydrophobicContact CG2-CD2 4.18Å; V124-L186 HydrophobicContact CG2-CD2 4.04Å; V124-L210 HydrophobicContact CG1-CD1 3.91Å; V124-L210 HydrophobicContact CG2-CD1 4.14Å
125	P	92.9	Very high	96.2	Very high	81 Å²	81	20.5 Å²	20.5	53%	0.526	13%	0.134	S	C	.	.			trans	-69	0.3	-176.4	-22.3	33.5	0	0	0	116	P70	P70-P125 HydrophobicContact CB-CB 4.06Å; P70-P125 HydrophobicContact CB-CG 4.29Å
126	Q	90.1	Very high	96.2	Very high	106 Å²	106	18.7 Å²	18.7	50%	0.495	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-69.2	146	-177	-174.9	173.6	-1.6	0	0	111.4	V124 G128 G129	V124-Q126 HydrophobicContact CG1-CB 3.97Å; V124-Q126 PolarHBondContact O-N 2.86Å; Q126-G128 PolarHBondContact O-N 3.37Å; Q126-G129 PolarHBondContact O-N 3.16Å
127	G	85.9	Confident	96.2	Very high	65 Å²	65	19.3 Å²	19.3	67%	0.67	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	63.9	32.1	169.6	0	0	0	0	0	115.3	G129	G127-G129 VanDerWaalsContact C-N 3.29Å
128	G	89.8	Confident	96.1	Very high	20 Å²	20	23 Å²	23	21%	0.206	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	83.4	5.5	-174.3	0	0	0	0	0	113.9	E71 Q126	E71-G128 WeakPolarHBondContact OE1-CA 3.29Å; Q126-G128 PolarHBondContact O-N 3.37Å
129	G	95.7	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.137	C	C	.	.			trans	106.4	135.3	177.5	0	0	0	0	0	113	V124 Q126 G127 L157	V124-G129 WeakPolarHBondContact O-CA 3.4Å; Q126-G129 PolarHBondContact O-N 3.16Å; G127-G129 VanDerWaalsContact C-N 3.29Å; G129-L157 VanDerWaalsContact O-CB 3.27Å; G129-L157 WeakPolarHBondContact O-CB 3.35Å; G129-L157 PolarHBondContact O-N 3.11Å
130	Q	97.8	Very high	95.3	Very high	21 Å²	21	23 Å²	23	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.7	177.4	-68.3	175.4	-25	0	0	109.5	V123 V124 W132 V154 L155 H156	V123-Q130 CarbonylContact C-O 3.53Å; V123-Q130 WeakPolarHBondContact CA-O 3.5Å; V124-Q130 HydrophobicContact CB-CB 4.37Å; V124-Q130 PolarHBondContact N-O 3Å; V124-Q130 PolarHBondContact O-N 3.39Å; Q130-W132 VanDerWaalsContact OE1-NE1 3.1Å; Q130-V154 HydrophobicContact CB-CG2 3.8Å; Q130-V154 HydrophobicContact CG-CG2 4.1Å; Q130-L155 CarbonylContact C-O 3.5Å; Q130-L155 VanDerWaalsContact CA-O 3.29Å; Q130-L155 WeakPolarHBondContact CA-O 3.28Å; Q130-H156 PolarHBondContact NE2-CE1 2.94Å; Q130-H156 PolarHBondContact NE2-ND1 3.04Å; Q130-H156 VanDerWaalsContact NE2-ND1 3.13Å
131	L	98.4	Very high	94.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	108.9	170.6	-177.9	75.5	0	0	0	108.8	I76 A121 V123 V133 V154 L155	I76-L131 HydrophobicContact CG2-CD2 4.06Å; A121-L131 HydrophobicContact CB-CD1 3.7Å; A121-L131 HydrophobicContact CB-CD2 4.39Å; A121-L131 HydrophobicContact CB-CG 4.06Å; V123-L131 HydrophobicContact CG2-CD1 3.68Å; L131-V133 HydrophobicContact CD2-CG2 4.41Å; L131-V133 HydrophobicContact CG-CG2 4.34Å; L131-V154 WeakPolarHBondContact O-CA 3.39Å; L131-L155 HydrophobicContact CB-CB 4.21Å; L131-L155 PolarHBondContact N-O 3.34Å; L131-L155 PolarHBondContact O-N 3.48Å
132	W	98.6	Very high	94.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.7	179.4	-71.8	78.3	0	0	0	110.2	A121 V122 V124 Q130 L152 W153 V154 I165 M179 L186 F208 L210 F213	A121-W132 CarbonylContact C-O 3.51Å; A121-W132 WeakPolarHBondContact CA-O 3.09Å; V122-W132 PolarHBondContact N-O 3.36Å; V122-W132 PolarHBondContact O-N 3.25Å; V124-W132 HydrophobicContact CG2-CG 4.28Å; Q130-W132 VanDerWaalsContact OE1-NE1 3.1Å; W132-L152 HydrophobicContact CE3-CD1 4Å; W132-L152 HydrophobicContact CE3-CD2 3.93Å; W132-L152 HydrophobicContact CE3-CG 3.95Å; W132-L152 HydrophobicContact CZ3-CD2 3.68Å; W132-L152 HydrophobicContact CZ3-CG 4.06Å; W132-W153 CarbonylContact C-O 3.43Å; W132-W153 WeakPolarHBondContact CA-O 3.37Å; W132-V154 HydrophobicContact CD2-CB 3.93Å; W132-V154 HydrophobicContact CD2-CG2 3.91Å; W132-V154 HydrophobicContact CE3-CB 4.05Å; W132-V154 HydrophobicContact CG-CB 4.45Å; W132-V154 HydrophobicContact CG-CG2 4.17Å; W132-V154 HydrophobicContact CH2-CB 4.34Å; W132-V154 HydrophobicContact CZ2-CB 4.2Å; W132-V154 HydrophobicContact CZ2-CG2 4.01Å; W132-V154 HydrophobicContact CZ3-CB 4.27Å; W132-I165 HydrophobicContact CH2-CD1 4.43Å; W132-I165 HydrophobicContact CH2-CG1 4.15Å; W132-I165 HydrophobicContact CZ3-CB 4.49Å; W132-I165 HydrophobicContact CZ3-CG1 3.77Å; W132-M179 HydrophobicContact CB-CE 4.32Å; W132-M179 VanDerWaalsContact O-CE 3.25Å; W132-M179 WeakPolarHBondContact O-CE 3.47Å; W132-L186 HydrophobicContact CB-CD1 3.78Å; W132-L186 HydrophobicContact CD2-CD1 3.73Å; W132-L186 HydrophobicContact CE3-CD1 3.73Å; W132-L186 HydrophobicContact CG-CD1 3.77Å; W132-F208 HydrophobicContact CE3-CE1 4.43Å; W132-F208 AromaticContact CH2-CE1 3.66Å; W132-F208 HydrophobicContact CH2-CE1 3.66Å; W132-F208 HydrophobicContact CH2-CZ 4.36Å; W132-F208 HydrophobicContact CZ3-CD1 4.17Å; W132-F208 AromaticContact CZ3-CE1 3.51Å; W132-F208 HydrophobicContact CZ3-CE1 3.51Å; W132-F208 HydrophobicContact CZ3-CZ 4.15Å; W132-L210 HydrophobicContact CD2-CD2 4.35Å; W132-L210 HydrophobicContact CH2-CD2 4.01Å; W132-L210 HydrophobicContact CZ2-CD2 3.56Å; W132-F213 HydrophobicContact CH2-CD1 4.29Å; W132-F213 AromaticContact CH2-CE1 3.8Å; W132-F213 HydrophobicContact CH2-CE1 3.8Å; W132-F213 HydrophobicContact CZ2-CE1 4.36Å
133	V	98.8	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.5	-177.4	-177.1	0	0	0	0	109.7	F78 H119 Q120 A121 L131 W153 W162	F78-V133 HydrophobicContact CD1-CG2 4.27Å; F78-V133 HydrophobicContact CE1-CG1 4.15Å; F78-V133 HydrophobicContact CE1-CG2 4.41Å; H119-V133 HydrophobicContact CB-CG1 4.35Å; Q120-V133 WeakPolarHBondContact O-CA 3.11Å; A121-V133 HydrophobicContact CB-CG2 3.87Å; L131-V133 HydrophobicContact CD2-CG2 4.41Å; L131-V133 HydrophobicContact CG-CG2 4.34Å; V133-W153 HydrophobicContact CB-CB 4.36Å; V133-W153 PolarHBondContact N-O 3.32Å; V133-W153 PolarHBondContact O-N 3.09Å; V133-W162 HydrophobicContact CG2-CH2 4.16Å; V133-W162 HydrophobicContact CG2-CZ3 4.14Å
134	F	98.7	Very high	92.7	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.2	176.5	-178	-104.4	0	0	0	111.7	Q120 K150 D151 L152 P171 R174 H177 M179 V188 W215	Q120-F134 PolarHBondContact N-O 2.69Å; Q120-F134 PolarHBondContact O-N 3.32Å; F134-K150 WeakPolarHBondContact CE2-O 3.39Å; F134-D151 WeakPolarHBondContact CD2-O 3.31Å; F134-L152 HydrophobicContact CB-CD1 3.89Å; F134-L152 HydrophobicContact CD2-CB 4.16Å; F134-L152 HydrophobicContact CD2-CD1 4.09Å; F134-L152 HydrophobicContact CG-CD1 4.42Å; F134-P171 HydrophobicContact CE1-CB 4.05Å; F134-P171 HydrophobicContact CE1-CG 3.74Å; F134-P171 HydrophobicContact CE2-CG 4.14Å; F134-P171 HydrophobicContact CZ-CB 3.71Å; F134-P171 HydrophobicContact CZ-CG 3.4Å; F134-P171 VanDerWaalsContact CZ-CG 3.4Å; F134-R174 HydrophobicContact CE1-CG 4.09Å; F134-H177 AromaticContact CD1-CD2 3.96Å; F134-H177 AromaticContact CD1-CE1 3.83Å; F134-H177 AromaticContact CD1-NE2 3.4Å; F134-H177 WeakPolarHBondContact CD1-NE2 3.4Å; F134-H177 PolarHBondContact O-CE1 3.02Å; F134-H177 PolarHBondContact O-NE2 2.97Å; F134-M179 HydrophobicContact CB-CE 4.09Å; F134-M179 HydrophobicContact CB-SD 3.78Å; F134-V188 HydrophobicContact CD1-CG1 4.21Å; F134-V188 HydrophobicContact CD1-CG2 4.13Å; F134-V188 HydrophobicContact CE1-CG1 4.13Å; F134-W215 HydrophobicContact CD2-CH2 4.33Å; F134-W215 HydrophobicContact CD2-CZ2 4.02Å; F134-W215 HydrophobicContact CE2-CH2 4.47Å; F134-W215 HydrophobicContact CE2-CZ2 4.08Å
135	G	98.3	Very high	92.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.			trans	57.9	-141.2	170.1	0	0	0	0	0	114.3	R116 H119 Y149 D151	R116-G135 PolarHBondContact NH1-O 3.33Å; H119-G135 WeakPolarHBondContact CB-O 3.29Å; G135-Y149 VanDerWaalsContact CA-O 3.32Å; G135-Y149 WeakPolarHBondContact CA-O 3.46Å; G135-D151 PolarHBondContact N-O 3.47Å
136	G	98.1	Very high	92.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.			trans	95.3	-172.3	-168.7	0	0	0	0	0	111.4	C117 Y149 R174	C117-G136 CarbonylContact O-C 3.51Å; C117-G136 WeakPolarHBondContact O-CA 3.47Å; G136-Y149 PolarHBondContact O-N 2.86Å; G136-R174 PolarHBondContact N-O 2.76Å
137	E	96.8	Very high	92.3	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.4	179.3	69.2	-149.1	152	0	0	112.5	L90 R116 C117 S118 Y147 H148 S175 F192	L90-E137 WeakPolarHBondContact CD2-O 3.46Å; R116-E137 VanDerWaalsContact CA-O 3.32Å; R116-E137 WeakPolarHBondContact CA-O 3.47Å; C117-E137 PolarHBondContact N-O 3.42Å; C117-E137 VanDerWaalsContact N-O 3.1Å; C117-E137 PolarHBondContact O-N 3.37Å; S118-E137 WeakPolarHBondContact CB-OE1 3.21Å; S118-E137 PolarHBondContact OG-OE1 2.81Å; E137-Y147 CarbonylContact C-O 3.59Å; E137-Y147 WeakPolarHBondContact CA-O 3.12Å; E137-H148 IonicContact OE2-CE1 3.56Å; E137-H148 PolarHBondContact OE2-CE1 3.05Å; E137-H148 IonicContact OE2-ND1 3.55Å; E137-H148 PolarHBondContact OE2-ND1 2.79Å; E137-S175 VanDerWaalsContact CD-CB 3.46Å; E137-S175 VanDerWaalsContact CD-OG 3.29Å; E137-S175 WeakPolarHBondContact OE2-CB 3.39Å; E137-S175 PolarHBondContact OE2-OG 3.04Å; E137-F192 WeakPolarHBondContact OE2-CE1 3.14Å; E137-F192 VanDerWaalsContact OE2-CZ 3.24Å; E137-F192 WeakPolarHBondContact OE2-CZ 3.21Å
138	F	95.3	Very high	92.9	Very high	78 Å²	78	40 Å²	40	34%	0.342	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.3	163.9	-179.4	-86.7	0	0	0	109.1	L90 P115 F146 Y147 Y149	L90-F138 HydrophobicContact CB-CD2 4.45Å; L90-F138 HydrophobicContact CD1-CD2 4.31Å; L90-F138 HydrophobicContact CD1-CE2 4.35Å; L90-F138 HydrophobicContact CD2-CB 4.44Å; L90-F138 HydrophobicContact CD2-CD2 4.2Å; P115-F138 HydrophobicContact CB-CD2 4.25Å; P115-F138 HydrophobicContact CB-CE2 4.35Å; F138-F146 CarbonylContact O-C 3.56Å; F138-F146 WeakPolarHBondContact O-CA 3.43Å; F138-Y147 PolarHBondContact N-O 3.28Å; F138-Y147 PolarHBondContact O-N 2.99Å; F138-Y149 HydrophobicContact CB-CE2 3.79Å; F138-Y149 WeakPolarHBondContact CB-OH 3.33Å
139	A	91.4	Very high	93.2	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.2	172.8	0	0	0	0	0	109.6	T88 L90 Q145 F146	T88-A139 HydrophobicContact CG2-CB 4.3Å; L90-A139 HydrophobicContact CD1-CB 4.11Å; L90-A139 WeakPolarHBondContact CD1-O 3.49Å; A139-Q145 CarbonylContact C-O 3.53Å; A139-Q145 WeakPolarHBondContact CA-O 3.39Å; A139-F146 HydrophobicContact CB-CD1 3.78Å; A139-F146 HydrophobicContact CB-CE1 3.67Å
140	S	88.3	Confident	93.3	Very high	16 Å²	16	47.3 Å²	47.3	11%	0.112	23%	0.23	C	C	.	.			trans	-59.9	153.8	169.8	58	0	0	0	0	110	N142 G143 E144 Q145	S140-N142 WeakPolarHBondContact CB-OD1 3.29Å; S140-N142 PolarHBondContact O-N 2.64Å; S140-N142 PolarHBondContact OG-OD1 3.43Å; S140-G143 PolarHBondContact O-N 2.84Å; S140-E144 PolarHBondContact OG-N 2.82Å; S140-Q145 PolarHBondContact N-O 3.06Å; S140-Q145 PolarHBondContact OG-N 3.37Å; S140-Q145 PolarHBondContact OG-O 2.94Å
141	P	88.1	Confident	93.3	Very high	73 Å²	73	47.9 Å²	47.9	47%	0.474	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.2	-178.8	-28.9	35.9	0	0	0	114.1	K87 T88	K87-P141 CarbonylContact C-O 3.54Å; K87-P141 WeakPolarHBondContact CA-O 3.37Å; T88-P141 PolarHBondContact N-O 3.02Å
142	N	85.1	Confident	93.3	Very high	88 Å²	88	48 Å²	48	47%	0.471	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	1.2	176.4	65	-10.9	0	0	0	114.4	S140 E144	S140-N142 WeakPolarHBondContact CB-OD1 3.29Å; S140-N142 PolarHBondContact O-N 2.64Å; S140-N142 PolarHBondContact OG-OD1 3.43Å; N142-E144 VanDerWaalsContact C-N 3.26Å; N142-E144 HydrophobicContact CB-CG 4.43Å; N142-E144 PolarHBondContact ND2-OE2 3.02Å; N142-E144 PolarHBondContact O-N 3.29Å; N142-E144 PolarHBondContact OD1-N 3.19Å
143	G	79.8	Confident	93.3	Very high	30 Å²	30	49.5 Å²	49.5	31%	0.309	24%	0.24	S	C	.	.	S	Bend	trans	72.3	8.9	178	0	0	0	0	0	115.7	S140 F146	S140-G143 PolarHBondContact O-N 2.84Å; G143-F146 WeakPolarHBondContact O-CZ 3.33Å
144	E	82.5	Confident	93.3	Very high	142 Å²	142	49.5 Å²	49.5	66%	0.664	24%	0.24	S	C	*	.	S	Bend	trans	-90.4	-21.9	-174.4	-66.3	178.7	173.4	0	0	114.3	S140 N142	S140-E144 PolarHBondContact OG-N 2.82Å; N142-E144 VanDerWaalsContact C-N 3.26Å; N142-E144 HydrophobicContact CB-CG 4.43Å; N142-E144 PolarHBondContact ND2-OE2 3.02Å; N142-E144 PolarHBondContact O-N 3.29Å; N142-E144 PolarHBondContact OD1-N 3.19Å
145	Q	86.8	Confident	93.3	Very high	126 Å²	126	49.5 Å²	49.5	59%	0.589	24%	0.24	S	C	*	.			trans	-130.3	134.2	-175.2	-62.6	-177.5	14.4	0	0	110.9	A139 S140	A139-Q145 CarbonylContact C-O 3.53Å; A139-Q145 WeakPolarHBondContact CA-O 3.39Å; S140-Q145 PolarHBondContact N-O 3.06Å; S140-Q145 PolarHBondContact OG-N 3.37Å; S140-Q145 PolarHBondContact OG-O 2.94Å
146	F	90.6	Very high	93.3	Very high	74 Å²	74	51.5 Å²	51.5	33%	0.325	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.8	179	-56.5	-83.2	0	0	0	110.4	F138 A139 G143 E194	F138-F146 CarbonylContact O-C 3.56Å; F138-F146 WeakPolarHBondContact O-CA 3.43Å; A139-F146 HydrophobicContact CB-CD1 3.78Å; A139-F146 HydrophobicContact CB-CE1 3.67Å; G143-F146 WeakPolarHBondContact O-CZ 3.33Å; F146-E194 HydrophobicContact CD2-CG 4.46Å; F146-E194 VanDerWaalsContact CD2-OE2 3.26Å; F146-E194 WeakPolarHBondContact CD2-OE2 3.14Å; F146-E194 WeakPolarHBondContact CE2-OE2 3.38Å
147	Y	94.5	Very high	93.2	Very high	143 Å²	143	51.7 Å²	51.7	56%	0.561	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.4	168.6	-178.7	-90.7	0	0	0	109.4	E137 F138 Y149	E137-Y147 CarbonylContact C-O 3.59Å; E137-Y147 WeakPolarHBondContact CA-O 3.12Å; F138-Y147 PolarHBondContact N-O 3.28Å; F138-Y147 PolarHBondContact O-N 2.99Å; Y147-Y149 AromaticContact CD1-CD1 3.89Å; Y147-Y149 HydrophobicContact CD1-CD1 3.89Å; Y147-Y149 AromaticContact CD1-CE1 3.68Å; Y147-Y149 HydrophobicContact CD1-CE1 3.68Å; Y147-Y149 HydrophobicContact CD1-CE2 4.46Å; Y147-Y149 HydrophobicContact CD1-CG 4.33Å; Y147-Y149 AromaticContact CD1-CZ 3.98Å; Y147-Y149 AromaticContact CE1-CD1 3.55Å; Y147-Y149 HydrophobicContact CE1-CD1 3.55Å; Y147-Y149 AromaticContact CE1-CE1 3.57Å; Y147-Y149 HydrophobicContact CE1-CE1 3.57Å; Y147-Y149 HydrophobicContact CE1-CG 4.27Å
148	H	96.9	Very high	93.1	Very high	11 Å²	11	54.2 Å²	54.2	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.3	179.3	-59.4	-85.7	0	0	0	111.6	E137 S175 F192 H193 E194	E137-H148 IonicContact OE2-CE1 3.56Å; E137-H148 PolarHBondContact OE2-CE1 3.05Å; E137-H148 IonicContact OE2-ND1 3.55Å; E137-H148 PolarHBondContact OE2-ND1 2.79Å; H148-S175 PolarHBondContact CE1-OG 3.04Å; H148-S175 PolarHBondContact ND1-OG 3.22Å; H148-F192 AromaticContact CE1-CE2 3.61Å; H148-F192 AromaticContact CE1-CZ 3.56Å; H148-H193 AromaticContact CD2-CE1 3.85Å; H148-H193 AromaticContact CD2-CG 3.86Å; H148-H193 AromaticContact CD2-ND1 3.61Å; H148-H193 AromaticContact CG-ND1 3.67Å; H148-E194 PolarHBondContact CD2-N 2.93Å; H148-E194 PolarHBondContact CD2-O 3.42Å; H148-E194 PolarHBondContact NE2-N 2.8Å; H148-E194 PolarHBondContact NE2-O 3.34Å
149	Y	97.9	Very high	93	Very high	25 Å²	25	54.5 Å²	54.5	10%	0.098	28%	0.282	C	S	.	.			trans	-71.3	145.4	177.6	-65.1	-73.6	0	0	0	111.7	P114 P115 R116 G135 G136 F138 Y147 D151 G173 R174	P114-Y149 HydrophobicContact CB-CE1 4.04Å; P114-Y149 WeakPolarHBondContact CB-OH 3.18Å; P114-Y149 HydrophobicContact CG-CE1 4.33Å; P115-Y149 WeakPolarHBondContact O-CE2 3.31Å; P115-Y149 PolarHBondContact O-OH 3.26Å; R116-Y149 HydrophobicContact CB-CD2 4.02Å; R116-Y149 HydrophobicContact CB-CE2 3.87Å; G135-Y149 VanDerWaalsContact CA-O 3.32Å; G135-Y149 WeakPolarHBondContact CA-O 3.46Å; G136-Y149 PolarHBondContact O-N 2.86Å; F138-Y149 HydrophobicContact CB-CE2 3.79Å; F138-Y149 WeakPolarHBondContact CB-OH 3.33Å; Y147-Y149 AromaticContact CD1-CD1 3.89Å; Y147-Y149 HydrophobicContact CD1-CD1 3.89Å; Y147-Y149 AromaticContact CD1-CE1 3.68Å; Y147-Y149 HydrophobicContact CD1-CE1 3.68Å; Y147-Y149 HydrophobicContact CD1-CE2 4.46Å; Y147-Y149 HydrophobicContact CD1-CG 4.33Å; Y147-Y149 AromaticContact CD1-CZ 3.98Å; Y147-Y149 AromaticContact CE1-CD1 3.55Å; Y147-Y149 HydrophobicContact CE1-CD1 3.55Å; Y147-Y149 AromaticContact CE1-CE1 3.57Å; Y147-Y149 HydrophobicContact CE1-CE1 3.57Å; Y147-Y149 HydrophobicContact CE1-CG 4.27Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.1Å; Y149-G173 CarbonylContact O-C 3.57Å; Y149-G173 WeakPolarHBondContact O-CA 3.22Å; Y149-R174 PolarHBondContact O-N 3.23Å
150	K	97.4	Very high	93.2	Very high	147 Å²	147	55.9 Å²	55.9	64%	0.639	29%	0.288	S	S	*	.			trans	-120.9	6.3	174.2	70.5	179.6	179.3	-176.6	0	113.2	F134	F134-K150 WeakPolarHBondContact CE2-O 3.39Å
151	D	97.8	Very high	93.5	Very high	34 Å²	34	58.1 Å²	58.1	18%	0.182	30%	0.301	C	S	.	.			trans	-82.7	154.2	-174.6	56.9	2.2	0	0	0	111.3	R116 F134 G135 Y149 W153	R116-D151 IonicContact CZ-OD1 3.36Å; R116-D151 IonicContact CZ-OD2 2.66Å; R116-D151 IonicContact NH1-OD1 3.71Å; R116-D151 PolarHBondContact NH1-OD1 2.87Å; R116-D151 IonicContact NH1-OD2 3.58Å; R116-D151 IonicContact NH2-OD1 3.52Å; R116-D151 PolarHBondContact NH2-OD1 3.3Å; R116-D151 IonicContact NH2-OD2 3.54Å; R116-D151 PolarHBondContact NH2-OD2 2.82Å; F134-D151 WeakPolarHBondContact CD2-O 3.31Å; G135-D151 PolarHBondContact N-O 3.47Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.1Å; D151-W153 PolarHBondContact OD2-NE1 2.73Å
152	L	98.6	Very high	94	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.4	173.5	-177.4	66.4	0	0	0	107.8	W132 F134 I165 F208 W215	W132-L152 HydrophobicContact CE3-CD1 4Å; W132-L152 HydrophobicContact CE3-CD2 3.93Å; W132-L152 HydrophobicContact CE3-CG 3.95Å; W132-L152 HydrophobicContact CZ3-CD2 3.68Å; W132-L152 HydrophobicContact CZ3-CG 4.06Å; F134-L152 HydrophobicContact CB-CD1 3.89Å; F134-L152 HydrophobicContact CD2-CB 4.16Å; F134-L152 HydrophobicContact CD2-CD1 4.09Å; F134-L152 HydrophobicContact CG-CD1 4.42Å; L152-I165 HydrophobicContact CB-CB 4.3Å; L152-I165 HydrophobicContact CD2-CB 4.14Å; L152-I165 HydrophobicContact CD2-CG2 4.09Å; L152-I165 HydrophobicContact CG-CB 4.22Å; L152-I165 PolarHBondContact O-N 3.13Å; L152-F208 HydrophobicContact CD2-CD1 3.95Å; L152-F208 HydrophobicContact CD2-CD2 3.91Å; L152-F208 HydrophobicContact CD2-CE1 3.88Å; L152-F208 HydrophobicContact CD2-CE2 3.82Å; L152-F208 HydrophobicContact CD2-CG 3.96Å; L152-F208 HydrophobicContact CD2-CZ 3.81Å; L152-W215 HydrophobicContact CB-CZ2 4.42Å; L152-W215 HydrophobicContact CD1-CZ2 4.28Å; L152-W215 HydrophobicContact CD2-CZ2 3.8Å; L152-W215 HydrophobicContact CG-CZ2 4.4Å
153	W	98.6	Very high	94.5	Very high	32 Å²	32	55.7 Å²	55.7	12%	0.121	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.6	177.6	-68.4	83.6	0	0	0	110.3	N111 P113 W132 V133 D151 W162 E163 N164	N111-W153 WeakPolarHBondContact O-CZ3 3.16Å; P113-W153 HydrophobicContact CB-CD2 3.77Å; P113-W153 HydrophobicContact CB-CE3 4.41Å; P113-W153 HydrophobicContact CB-CG 3.82Å; P113-W153 HydrophobicContact CB-CZ2 4.32Å; P113-W153 HydrophobicContact CG-CD2 4.29Å; P113-W153 HydrophobicContact CG-CG 4.25Å; W132-W153 CarbonylContact C-O 3.43Å; W132-W153 WeakPolarHBondContact CA-O 3.37Å; V133-W153 HydrophobicContact CB-CB 4.36Å; V133-W153 PolarHBondContact N-O 3.32Å; V133-W153 PolarHBondContact O-N 3.09Å; D151-W153 PolarHBondContact OD2-NE1 2.73Å; W153-W162 HydrophobicContact CB-CE3 4.29Å; W153-W162 HydrophobicContact CB-CZ3 4.25Å; W153-W162 HydrophobicContact CE3-CB 4.5Å; W153-E163 WeakPolarHBondContact CA-O 3.2Å; W153-N164 HydrophobicContact CD2-CB 4.04Å; W153-N164 HydrophobicContact CE3-CB 3.83Å; W153-N164 HydrophobicContact CH2-CB 3.75Å; W153-N164 HydrophobicContact CZ2-CB 3.93Å; W153-N164 WeakPolarHBondContact CZ2-ND2 3.4Å; W153-N164 HydrophobicContact CZ3-CB 3.7Å; W153-N164 PolarHBondContact NE1-ND2 3.36Å; W153-N164 VanDerWaalsContact NE1-ND2 3.13Å
154	V	98.4	Very high	95.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.5	167.6	62.3	0	0	0	0	109.3	Q130 L131 W132 W162 E163 I165	Q130-V154 HydrophobicContact CB-CG2 3.8Å; Q130-V154 HydrophobicContact CG-CG2 4.1Å; L131-V154 WeakPolarHBondContact O-CA 3.39Å; W132-V154 HydrophobicContact CD2-CB 3.93Å; W132-V154 HydrophobicContact CD2-CG2 3.91Å; W132-V154 HydrophobicContact CE3-CB 4.05Å; W132-V154 HydrophobicContact CG-CB 4.45Å; W132-V154 HydrophobicContact CG-CG2 4.17Å; W132-V154 HydrophobicContact CH2-CB 4.34Å; W132-V154 HydrophobicContact CZ2-CB 4.2Å; W132-V154 HydrophobicContact CZ2-CG2 4.01Å; W132-V154 HydrophobicContact CZ3-CB 4.27Å; V154-W162 CarbonylContact O-C 3.45Å; V154-W162 WeakPolarHBondContact O-CA 3.28Å; V154-E163 HydrophobicContact CG1-CB 3.8Å; V154-E163 HydrophobicContact CG1-CG 4.46Å; V154-E163 PolarHBondContact N-O 2.9Å; V154-E163 PolarHBondContact O-N 2.66Å; V154-I165 HydrophobicContact CG1-CD1 3.78Å; V154-I165 HydrophobicContact CG1-CG1 3.93Å
155	L	98.5	Very high	96.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.8	162.9	169.2	64.3	0	0	0	108	L94 I109 Q130 L131 L157 W162	L94-L155 HydrophobicContact CD1-CD2 4.19Å; L94-L155 HydrophobicContact CD2-CD2 3.54Å; I109-L155 HydrophobicContact CD1-CD1 3.54Å; I109-L155 HydrophobicContact CD1-CD2 4.44Å; Q130-L155 CarbonylContact C-O 3.5Å; Q130-L155 VanDerWaalsContact CA-O 3.29Å; Q130-L155 WeakPolarHBondContact CA-O 3.28Å; L131-L155 HydrophobicContact CB-CB 4.21Å; L131-L155 PolarHBondContact N-O 3.34Å; L131-L155 PolarHBondContact O-N 3.48Å; L155-L157 HydrophobicContact CD2-CD2 3.73Å; L155-L157 HydrophobicContact CG-CD2 4.02Å; L155-L157 PolarHBondContact O-N 2.84Å; L155-W162 HydrophobicContact CB-CD2 3.82Å; L155-W162 HydrophobicContact CB-CE3 3.6Å; L155-W162 HydrophobicContact CB-CH2 3.64Å; L155-W162 HydrophobicContact CB-CZ2 3.85Å; L155-W162 HydrophobicContact CB-CZ3 3.51Å; L155-W162 HydrophobicContact CD1-CD2 4.13Å; L155-W162 HydrophobicContact CD1-CG 4.32Å; L155-W162 HydrophobicContact CD1-CZ2 4.49Å; L155-W162 HydrophobicContact CD2-CH2 4.26Å; L155-W162 HydrophobicContact CD2-CZ2 3.87Å; L155-W162 HydrophobicContact CG-CD2 4.48Å; L155-W162 HydrophobicContact CG-CZ2 4.29Å
156	H	97.4	Very high	96.4	Very high	42 Å²	42	52.6 Å²	52.6	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	107.4	170.8	-60.6	-83.9	0	0	0	108.5	Q130 A158 T159 H160 T161 E163	Q130-H156 PolarHBondContact NE2-CE1 2.94Å; Q130-H156 PolarHBondContact NE2-ND1 3.04Å; Q130-H156 VanDerWaalsContact NE2-ND1 3.13Å; H156-A158 VanDerWaalsContact C-N 3.29Å; H156-A158 PolarHBondContact O-N 3.03Å; H156-T159 VanDerWaalsContact CB-OG1 3.25Å; H156-T159 WeakPolarHBondContact CB-OG1 3.41Å; H156-T159 PolarHBondContact O-N 3.3Å; H156-H160 WeakPolarHBondContact O-CA 3.4Å; H156-H160 PolarHBondContact O-N 2.85Å; H156-T161 PolarHBondContact N-O 2.99Å; H156-T161 PolarHBondContact O-N 2.92Å; H156-E163 IonicContact CD2-OE2 2.73Å; H156-E163 IonicContact CE1-OE2 2.92Å; H156-E163 IonicContact NE2-OE2 3.49Å; H156-E163 PolarHBondContact NE2-OE2 3.09Å
157	L	96.8	Very high	96.5	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-26.8	-173.2	-62.4	171.3	0	0	0	112.6	P70 I76 F96 G129 L155 H160	P70-L157 HydrophobicContact CG-CD1 4.15Å; I76-L157 HydrophobicContact CD1-CD1 3.74Å; I76-L157 HydrophobicContact CD1-CD2 3.84Å; I76-L157 HydrophobicContact CD1-CG 4.48Å; F96-L157 HydrophobicContact CE1-CD2 4.11Å; F96-L157 HydrophobicContact CZ-CD2 4.19Å; G129-L157 VanDerWaalsContact O-CB 3.27Å; G129-L157 WeakPolarHBondContact O-CB 3.35Å; G129-L157 PolarHBondContact O-N 3.11Å; L155-L157 HydrophobicContact CD2-CD2 3.73Å; L155-L157 HydrophobicContact CG-CD2 4.02Å; L155-L157 PolarHBondContact O-N 2.84Å; L157-H160 PolarHBondContact O-CD2 2.83Å; L157-H160 PolarHBondContact O-NE2 3.09Å
158	A	94.3	Very high	96.3	Very high	67 Å²	67	47.9 Å²	47.9	55%	0.554	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-36.8	178.1	0	0	0	0	0	112.7	H156	H156-A158 VanDerWaalsContact C-N 3.29Å; H156-A158 PolarHBondContact O-N 3.03Å
159	T	93.6	Very high	96	Very high	83 Å²	83	50.1 Å²	50.1	51%	0.509	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-9.2	-176.3	51.8	0	0	0	0	113.2	H156 T161	H156-T159 VanDerWaalsContact CB-OG1 3.25Å; H156-T159 WeakPolarHBondContact CB-OG1 3.41Å; H156-T159 PolarHBondContact O-N 3.3Å; T159-T161 PolarHBondContact OG1-OG1 2.69Å
160	H	94.6	Very high	95.9	Very high	32 Å²	32	50.3 Å²	50.3	15%	0.148	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	52.4	-173.2	-71.3	-118.6	0	0	0	111.4	I50 E52 I109 H156 L157	I50-H160 HydrophobicContact CD1-CB 3.51Å; I50-H160 HydrophobicContact CG1-CB 4.18Å; I50-H160 HydrophobicContact CG2-CB 4.45Å; E52-H160 IonicContact OE1-CE1 3.52Å; E52-H160 PolarHBondContact OE1-CE1 3.4Å; E52-H160 IonicContact OE1-ND1 2.82Å; I109-H160 HydrophobicContact CD1-CB 3.82Å; I109-H160 HydrophobicContact CG1-CB 4.34Å; I109-H160 WeakPolarHBondContact CG2-O 3.1Å; H156-H160 WeakPolarHBondContact O-CA 3.4Å; H156-H160 PolarHBondContact O-N 2.85Å; L157-H160 PolarHBondContact O-CD2 2.83Å; L157-H160 PolarHBondContact O-NE2 3.09Å
161	T	95.6	Very high	95.9	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.38	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.8	-179.8	53.6	0	0	0	0	111.6	H156 T159	H156-T161 PolarHBondContact N-O 2.99Å; H156-T161 PolarHBondContact O-N 2.92Å; T159-T161 PolarHBondContact OG1-OG1 2.69Å
162	W	97.8	Very high	95.8	Very high	25 Å²	25	44.4 Å²	44.4	10%	0.095	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	142	169.3	-74.6	108.9	0	0	0	111.2	F78 L94 I109 N111 P113 V133 W153 V154 L155	F78-W162 HydrophobicContact CD2-CH2 4.28Å; F78-W162 HydrophobicContact CD2-CZ2 4.1Å; F78-W162 HydrophobicContact CE2-CH2 4.21Å; F78-W162 HydrophobicContact CE2-CZ2 4.02Å; L94-W162 HydrophobicContact CD2-CZ2 4.46Å; I109-W162 HydrophobicContact CG2-CG 4.46Å; N111-W162 WeakPolarHBondContact O-CB 3.36Å; P113-W162 HydrophobicContact CG-CD2 4.44Å; P113-W162 HydrophobicContact CG-CE3 4.11Å; P113-W162 HydrophobicContact CG-CH2 4.06Å; P113-W162 HydrophobicContact CG-CZ2 4.39Å; P113-W162 HydrophobicContact CG-CZ3 3.91Å; V133-W162 HydrophobicContact CG2-CH2 4.16Å; V133-W162 HydrophobicContact CG2-CZ3 4.14Å; W153-W162 HydrophobicContact CB-CE3 4.29Å; W153-W162 HydrophobicContact CB-CZ3 4.25Å; W153-W162 HydrophobicContact CE3-CB 4.5Å; V154-W162 CarbonylContact O-C 3.45Å; V154-W162 WeakPolarHBondContact O-CA 3.28Å; L155-W162 HydrophobicContact CB-CD2 3.82Å; L155-W162 HydrophobicContact CB-CE3 3.6Å; L155-W162 HydrophobicContact CB-CH2 3.64Å; L155-W162 HydrophobicContact CB-CZ2 3.85Å; L155-W162 HydrophobicContact CB-CZ3 3.51Å; L155-W162 HydrophobicContact CD1-CD2 4.13Å; L155-W162 HydrophobicContact CD1-CG 4.32Å; L155-W162 HydrophobicContact CD1-CZ2 4.49Å; L155-W162 HydrophobicContact CD2-CH2 4.26Å; L155-W162 HydrophobicContact CD2-CZ2 3.87Å; L155-W162 HydrophobicContact CG-CD2 4.48Å; L155-W162 HydrophobicContact CG-CZ2 4.29Å
163	E	97.1	Very high	95.8	Very high	85 Å²	85	44.6 Å²	44.6	40%	0.397	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131	175.7	-176.7	-173.1	171.2	0	0	109.7	W153 V154 H156 I165	W153-E163 WeakPolarHBondContact CA-O 3.2Å; V154-E163 HydrophobicContact CG1-CB 3.8Å; V154-E163 HydrophobicContact CG1-CG 4.46Å; V154-E163 PolarHBondContact N-O 2.9Å; V154-E163 PolarHBondContact O-N 2.66Å; H156-E163 IonicContact CD2-OE2 2.73Å; H156-E163 IonicContact CE1-OE2 2.92Å; H156-E163 IonicContact NE2-OE2 3.49Å; H156-E163 PolarHBondContact NE2-OE2 3.09Å; E163-I165 HydrophobicContact CG-CD1 3.85Å; E163-I165 WeakPolarHBondContact OE1-CD1 3.47Å
164	N	97.6	Very high	95.7	Very high	37 Å²	37	43 Å²	43	20%	0.198	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.2	172	-172.7	-98.4	0	0	0	110.3	W153 K166	W153-N164 HydrophobicContact CD2-CB 4.04Å; W153-N164 HydrophobicContact CE3-CB 3.83Å; W153-N164 HydrophobicContact CH2-CB 3.75Å; W153-N164 HydrophobicContact CZ2-CB 3.93Å; W153-N164 WeakPolarHBondContact CZ2-ND2 3.4Å; W153-N164 HydrophobicContact CZ3-CB 3.7Å; W153-N164 PolarHBondContact NE1-ND2 3.36Å; W153-N164 VanDerWaalsContact NE1-ND2 3.13Å; N164-K166 PolarHBondContact O-N 3.13Å; N164-K166 VanDerWaalsContact OD1-CD 3.23Å; N164-K166 WeakPolarHBondContact OD1-CD 3.38Å; N164-K166 WeakPolarHBondContact OD1-CE 3.21Å; N164-K166 PolarHBondContact OD1-NZ 2.91Å
165	I	97.5	Very high	95.7	Very high	14 Å²	14	43 Å²	43	7%	0.072	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	109.3	-175.5	-56.7	-62.1	0	0	0	110	W132 L152 V154 E163 A167 F208 F213	W132-I165 HydrophobicContact CH2-CD1 4.43Å; W132-I165 HydrophobicContact CH2-CG1 4.15Å; W132-I165 HydrophobicContact CZ3-CB 4.49Å; W132-I165 HydrophobicContact CZ3-CG1 3.77Å; L152-I165 HydrophobicContact CB-CB 4.3Å; L152-I165 HydrophobicContact CD2-CB 4.14Å; L152-I165 HydrophobicContact CD2-CG2 4.09Å; L152-I165 HydrophobicContact CG-CB 4.22Å; L152-I165 PolarHBondContact O-N 3.13Å; V154-I165 HydrophobicContact CG1-CD1 3.78Å; V154-I165 HydrophobicContact CG1-CG1 3.93Å; E163-I165 HydrophobicContact CG-CD1 3.85Å; E163-I165 WeakPolarHBondContact OE1-CD1 3.47Å; I165-A167 HydrophobicContact CG2-CB 4.48Å; I165-A167 PolarHBondContact O-N 3.44Å; I165-F208 HydrophobicContact CG2-CE2 4.23Å; I165-F208 HydrophobicContact CG2-CZ 3.75Å; I165-F213 HydrophobicContact CD1-CD1 4.47Å; I165-F213 HydrophobicContact CD1-CE1 4.39Å; I165-F213 HydrophobicContact CG2-CD1 4.37Å
166	K	93.8	Very high	95.7	Very high	182 Å²	182	43.7 Å²	43.7	79%	0.791	28%	0.279	S	S	*	.			trans	-86.3	95	176.4	-57	-59.7	-174.1	-170.2	0	110.2	N164	N164-K166 PolarHBondContact O-N 3.13Å; N164-K166 VanDerWaalsContact OD1-CD 3.23Å; N164-K166 WeakPolarHBondContact OD1-CD 3.38Å; N164-K166 WeakPolarHBondContact OD1-CE 3.21Å; N164-K166 PolarHBondContact OD1-NZ 2.91Å
167	A	91.9	Very high	95.7	Very high	28 Å²	28	41.7 Å²	41.7	23%	0.231	27%	0.27	C	S	.	.			trans	-127.5	128.5	175.1	0	0	0	0	0	111.3	I165 F208 F213	I165-A167 HydrophobicContact CG2-CB 4.48Å; I165-A167 PolarHBondContact O-N 3.44Å; A167-F208 HydrophobicContact CB-CE2 3.76Å; A167-F213 WeakPolarHBondContact CB-O 3.43Å
168	A	90.4	Very high	95.8	Very high	91 Å²	91	44 Å²	44	75%	0.752	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	161.3	177.2	0	0	0	0	0	111.7	G170	A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 3Å
169	G	90.6	Very high	95.9	Very high	57 Å²	57	40.9 Å²	40.9	59%	0.588	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	12	175.9	0	0	0	0	0	115.2	W215	G169-W215 WeakPolarHBondContact O-CB 3.34Å
170	G	95	Very high	96.1	Very high	29 Å²	29	37.5 Å²	37.5	30%	0.299	23%	0.231	S	C	.	.			trans	-74	178.4	176.7	0	0	0	0	0	114.7	A168 W215	A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 3Å; G170-W215 VanDerWaalsContact CA-CD1 3.49Å
171	P	97.3	Very high	96.1	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.045	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-64.8	157.8	178.5	-7.3	20.7	0	0	0	112	F134 V188 H206 W215	F134-P171 HydrophobicContact CE1-CB 4.05Å; F134-P171 HydrophobicContact CE1-CG 3.74Å; F134-P171 HydrophobicContact CE2-CG 4.14Å; F134-P171 HydrophobicContact CZ-CB 3.71Å; F134-P171 HydrophobicContact CZ-CG 3.4Å; F134-P171 VanDerWaalsContact CZ-CG 3.4Å; P171-V188 HydrophobicContact CG-CB 4.48Å; P171-V188 HydrophobicContact CG-CG1 4.32Å; P171-H206 HydrophobicContact CG-CB 3.87Å; P171-W215 HydrophobicContact CG-CE3 4.42Å; P171-W215 HydrophobicContact CG-CH2 4.18Å; P171-W215 HydrophobicContact CG-CZ3 4.07Å
172	S	97	Very high	95.9	Very high	50 Å²	50	35.2 Å²	35.2	35%	0.35	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-63	161	166	57.7	0	0	0	0	111.5	R174 Y202	S172-R174 WeakPolarHBondContact O-CG 3.44Å; S172-R174 PolarHBondContact O-N 3.29Å; S172-R174 PolarHBondContact O-NE 2.79Å; S172-R174 PolarHBondContact OG-NH2 3.34Å; S172-Y202 VanDerWaalsContact OG-CZ 3.31Å; S172-Y202 PolarHBondContact OG-OH 3.05Å
173	G	97.1	Very high	95.4	Very high	8 Å²	8	40.1 Å²	40.1	8%	0.082	24%	0.239	C	C	.	.	S	Bend	trans	-60.7	130.7	176.3	0	0	0	0	0	111.2	Y149 H193	Y149-G173 CarbonylContact O-C 3.57Å; Y149-G173 WeakPolarHBondContact O-CA 3.22Å; G173-H193 PolarHBondContact O-ND1 3.24Å
174	R	98.3	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.249	C	C	.	.			trans	-161	150.9	-170.4	61.8	-174.5	69.8	-165	-0.4	112.9	F134 G136 Y149 S172 H177 G190 F192 Y202 D204	F134-R174 HydrophobicContact CE1-CG 4.09Å; G136-R174 PolarHBondContact N-O 2.76Å; Y149-R174 PolarHBondContact O-N 3.23Å; S172-R174 WeakPolarHBondContact O-CG 3.44Å; S172-R174 PolarHBondContact O-N 3.29Å; S172-R174 PolarHBondContact O-NE 2.79Å; S172-R174 PolarHBondContact OG-NH2 3.34Å; R174-H177 HydrophobicContact CG-CB 4.18Å; R174-H177 PolarHBondContact O-ND1 3.39Å; R174-G190 WeakPolarHBondContact CD-O 3.35Å; R174-G190 PolarHBondContact NH1-O 3.14Å; R174-F192 VanDerWaalsContact CA-O 3.28Å; R174-F192 WeakPolarHBondContact CA-O 3.17Å; R174-Y202 HydrophobicContact CB-CD2 4.16Å; R174-Y202 HydrophobicContact CB-CE2 3.93Å; R174-D204 IonicContact CZ-OD1 3.08Å; R174-D204 IonicContact CZ-OD2 2.73Å; R174-D204 IonicContact NH1-OD1 2.83Å; R174-D204 PolarHBondContact NH1-OD1 2.79Å; R174-D204 IonicContact NH1-OD2 3.88Å; R174-D204 IonicContact NH2-OD1 3.87Å; R174-D204 PolarHBondContact NH2-OD1 2.9Å; R174-D204 IonicContact NH2-OD2 3.73Å; R174-D204 PolarHBondContact NH2-OD2 2.99Å
175	S	97.9	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-125.3	164.9	172.9	49.5	0	0	0	0	110.6	E137 H148 H177 G191 F192	E137-S175 VanDerWaalsContact CD-CB 3.46Å; E137-S175 VanDerWaalsContact CD-OG 3.29Å; E137-S175 WeakPolarHBondContact OE2-CB 3.39Å; E137-S175 PolarHBondContact OE2-OG 3.04Å; H148-S175 PolarHBondContact CE1-OG 3.04Å; H148-S175 PolarHBondContact ND1-OG 3.22Å; S175-H177 PolarHBondContact O-N 3.35Å; S175-G191 CarbonylContact O-C 3.5Å; S175-G191 VanDerWaalsContact O-CA 3.23Å; S175-G191 WeakPolarHBondContact O-CA 3.37Å; S175-F192 PolarHBondContact N-O 2.77Å; S175-F192 PolarHBondContact O-N 3.18Å; S175-F192 VanDerWaalsContact OG-CD1 3.28Å; S175-F192 WeakPolarHBondContact OG-CD1 3.37Å; S175-F192 WeakPolarHBondContact OG-CE1 3.32Å
176	G	97.4	Very high	94.8	Very high	14 Å²	14	42.2 Å²	42.2	14%	0.144	24%	0.241	C	C	.	.	S	Bend	trans	62.4	13	-178.4	0	0	0	0	0	114	S118 S229 A230	S118-G176 PolarHBondContact O-N 2.86Å; G176-S229 CarbonylContact O-C 3.54Å; G176-S229 WeakPolarHBondContact O-CA 3.46Å; G176-A230 PolarHBondContact O-N 2.82Å
177	H	98.4	Very high	95	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.204	C	C	.	.			trans	-75.4	171.4	171.8	65	-84.1	0	0	0	109.4	Q120 F134 R174 S175 G190	Q120-H177 WeakPolarHBondContact CG-O 3.27Å; Q120-H177 PolarHBondContact NE2-O 2.81Å; Q120-H177 VanDerWaalsContact NE2-O 3.16Å; F134-H177 AromaticContact CD1-CD2 3.96Å; F134-H177 AromaticContact CD1-CE1 3.83Å; F134-H177 AromaticContact CD1-NE2 3.4Å; F134-H177 WeakPolarHBondContact CD1-NE2 3.4Å; F134-H177 PolarHBondContact O-CE1 3.02Å; F134-H177 PolarHBondContact O-NE2 2.97Å; R174-H177 HydrophobicContact CG-CB 4.18Å; R174-H177 PolarHBondContact O-ND1 3.39Å; S175-H177 PolarHBondContact O-N 3.35Å; H177-G190 WeakPolarHBondContact CB-O 3.45Å
178	R	97.8	Very high	95.3	Very high	53 Å²	53	32.2 Å²	32.2	20%	0.2	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.9	172.3	-164.5	66.1	-144.7	-172	12.9	111.4	Q120 V188 F189 M233	Q120-R178 VanDerWaalsContact OE1-NE 3.1Å; Q120-R178 VanDerWaalsContact OE1-NH1 3.09Å; R178-V188 WeakPolarHBondContact O-CA 3.43Å; R178-F189 PolarHBondContact N-O 3.11Å; R178-F189 PolarHBondContact O-N 3.17Å; R178-M233 HydrophobicContact CB-CB 3.89Å; R178-M233 HydrophobicContact CB-CE 4.02Å; R178-M233 HydrophobicContact CG-CB 3.31Å; R178-M233 HydrophobicContact CG-CE 4.01Å; R178-M233 WeakPolarHBondContact O-CE 3.29Å
179	M	97.9	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.6	173.6	-169.6	170.7	64.8	0	0	109.9	Q120 V122 W132 F134 L186 L187 V188	Q120-M179 HydrophobicContact CB-CB 3.69Å; Q120-M179 HydrophobicContact CG-CB 4.37Å; Q120-M179 WeakPolarHBondContact O-CE 3.49Å; V122-M179 HydrophobicContact CB-CE 4.03Å; V122-M179 HydrophobicContact CG2-CB 3.99Å; V122-M179 HydrophobicContact CG2-CE 3.77Å; V122-M179 HydrophobicContact CG2-CG 3.91Å; V122-M179 VanDerWaalsContact CG2-O 3.25Å; V122-M179 WeakPolarHBondContact CG2-O 3.37Å; W132-M179 HydrophobicContact CB-CE 4.32Å; W132-M179 VanDerWaalsContact O-CE 3.25Å; W132-M179 WeakPolarHBondContact O-CE 3.47Å; F134-M179 HydrophobicContact CB-CE 4.09Å; F134-M179 HydrophobicContact CB-SD 3.78Å; M179-L186 HydrophobicContact CG-CB 4.27Å; M179-L186 HydrophobicContact SD-CB 4.13Å; M179-L186 HydrophobicContact SD-CD1 4.19Å; M179-L187 CarbonylContact C-O 3.54Å; M179-L187 VanDerWaalsContact CA-O 3.23Å; M179-L187 WeakPolarHBondContact CA-O 3.37Å; M179-V188 HydrophobicContact CB-CG2 4.25Å; M179-V188 HydrophobicContact CG-CG2 3.88Å; M179-V188 HydrophobicContact SD-CG2 4.01Å
180	V	96.4	Very high	96.1	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.4	173.5	-60.4	0	0	0	0	111.5	L187 M233 V242	V180-L187 HydrophobicContact CG2-CB 4.37Å; V180-L187 PolarHBondContact N-O 3.44Å; V180-L187 PolarHBondContact O-N 3.31Å; V180-M233 HydrophobicContact CB-CE 4.18Å; V180-M233 HydrophobicContact CG1-CB 4Å; V180-M233 HydrophobicContact CG1-CE 3.87Å; V180-M233 HydrophobicContact CG1-CG 3.94Å; V180-M233 VanDerWaalsContact CG1-O 3.27Å; V180-M233 WeakPolarHBondContact CG1-O 3.26Å; V180-M233 HydrophobicContact CG2-CE 3.68Å; V180-M233 HydrophobicContact CG2-CG 4.09Å; V180-M233 HydrophobicContact CG2-SD 4.08Å; V180-V242 HydrophobicContact CG2-CB 4.31Å; V180-V242 HydrophobicContact CG2-CG1 3.5Å; V180-V242 VanDerWaalsContact CG2-CG1 3.5Å
181	L	94.6	Very high	96.2	Very high	45 Å²	45	23.9 Å²	23.9	24%	0.236	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.8	168.9	-179.5	64.6	0	0	0	109.8	V122 V124 K183 L186 L210	V122-L181 HydrophobicContact CG1-CB 3.76Å; V124-L181 HydrophobicContact CG1-CD2 4.37Å; V124-L181 HydrophobicContact CG2-CD1 4.12Å; V124-L181 HydrophobicContact CG2-CD2 4.18Å; L181-K183 WeakPolarHBondContact CD1-O 3.18Å; L181-L186 HydrophobicContact CB-CD2 4.38Å; L181-L186 HydrophobicContact CD1-CD2 4.01Å; L181-L210 HydrophobicContact CD1-CD1 3.74Å
182	S	91.4	Very high	96.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109.2	170.7	178.4	0	0	0	0	108.9	R184 Q185 G239 R271	S182-R184 PolarHBondContact O-N 2.88Å; S182-Q185 PolarHBondContact N-O 3.12Å; S182-Q185 PolarHBondContact O-N 3.11Å; S182-Q185 VanDerWaalsContact O-N 3.1Å; S182-G239 PolarHBondContact OG-O 3.29Å; S182-R271 PolarHBondContact O-NH2 2.93Å; S182-R271 PolarHBondContact OG-NH2 3.35Å
183	K	87.9	Confident	96.2	Very high	127 Å²	127	25.6 Å²	25.6	55%	0.552	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	-116.8	-170.2	-60.2	-179.7	177.4	179.3	0	110.8	L181 G239	L181-K183 WeakPolarHBondContact CD1-O 3.18Å; K183-G239 WeakPolarHBondContact CE-O 3.38Å
184	R	89.3	Confident	95.9	Very high	156 Å²	156	28.6 Å²	28.6	59%	0.589	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	28.4	178.3	-59.7	-166	-58.6	-143.8	5.1	112.7	S182 L210 D211	S182-R184 PolarHBondContact O-N 2.88Å; R184-L210 WeakPolarHBondContact O-CB 3.31Å; R184-L210 PolarHBondContact O-N 2.83Å; R184-D211 WeakPolarHBondContact CD-OD1 3.29Å; R184-D211 IonicContact CZ-OD1 3.13Å; R184-D211 IonicContact CZ-OD2 2.69Å; R184-D211 VanDerWaalsContact NE-CG 3.3Å; R184-D211 IonicContact NE-OD1 3.91Å; R184-D211 PolarHBondContact NE-OD1 3.36Å; R184-D211 IonicContact NE-OD2 3.65Å; R184-D211 PolarHBondContact NE-OD2 3.07Å; R184-D211 IonicContact NH2-OD1 3.71Å; R184-D211 IonicContact NH2-OD2 2.74Å; R184-D211 PolarHBondContact NH2-OD2 3.17Å
185	Q	93.7	Very high	95.4	Very high	24 Å²	24	31.3 Å²	31.3	11%	0.112	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.2	178.9	-72.7	165.5	-28.8	0	0	111.2	S182 L187 F208 R271 E278	S182-Q185 PolarHBondContact N-O 3.12Å; S182-Q185 PolarHBondContact O-N 3.11Å; S182-Q185 VanDerWaalsContact O-N 3.1Å; Q185-L187 HydrophobicContact CB-CD2 4.37Å; Q185-F208 CarbonylContact C-O 3.52Å; Q185-F208 WeakPolarHBondContact CA-O 3.14Å; Q185-R271 VanDerWaalsContact OE1-NH2 3.08Å; Q185-E278 PolarHBondContact NE2-OE2 3.3Å
186	L	97.3	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.8	165.1	-54.6	174.6	0	0	0	108	V122 V124 W132 M179 L181 A207 F208 L210	V122-L186 HydrophobicContact CB-CD2 4.44Å; V122-L186 HydrophobicContact CG1-CD2 4.12Å; V124-L186 HydrophobicContact CG2-CD2 4.04Å; W132-L186 HydrophobicContact CB-CD1 3.78Å; W132-L186 HydrophobicContact CD2-CD1 3.73Å; W132-L186 HydrophobicContact CE3-CD1 3.73Å; W132-L186 HydrophobicContact CG-CD1 3.77Å; M179-L186 HydrophobicContact CG-CB 4.27Å; M179-L186 HydrophobicContact SD-CB 4.13Å; M179-L186 HydrophobicContact SD-CD1 4.19Å; L181-L186 HydrophobicContact CB-CD2 4.38Å; L181-L186 HydrophobicContact CD1-CD2 4.01Å; L186-A207 CarbonylContact O-C 3.56Å; L186-A207 WeakPolarHBondContact O-CA 3.47Å; L186-F208 HydrophobicContact CB-CB 4.21Å; L186-F208 HydrophobicContact CD1-CD1 4.21Å; L186-F208 PolarHBondContact N-O 2.71Å; L186-F208 PolarHBondContact O-N 3.13Å; L186-L210 HydrophobicContact CD1-CD2 4.25Å; L186-L210 HydrophobicContact CG-CD2 4.2Å
187	L	97.7	Very high	93.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.4	176.8	-59.1	-178	0	0	0	109.3	M179 V180 Q185 H206 A207 L218 M233 V242 W280	M179-L187 CarbonylContact C-O 3.54Å; M179-L187 VanDerWaalsContact CA-O 3.23Å; M179-L187 WeakPolarHBondContact CA-O 3.37Å; V180-L187 HydrophobicContact CG2-CB 4.37Å; V180-L187 PolarHBondContact N-O 3.44Å; V180-L187 PolarHBondContact O-N 3.31Å; Q185-L187 HydrophobicContact CB-CD2 4.37Å; L187-H206 CarbonylContact C-O 3.59Å; L187-H206 WeakPolarHBondContact CA-O 3.26Å; L187-A207 HydrophobicContact CD2-CB 3.52Å; L187-L218 HydrophobicContact CD2-CD1 4.19Å; L187-M233 WeakPolarHBondContact O-CE 3.47Å; L187-V242 HydrophobicContact CD1-CG1 3.8Å; L187-V242 HydrophobicContact CD1-CG2 4.24Å; L187-W280 HydrophobicContact CD1-CH2 3.64Å; L187-W280 HydrophobicContact CD1-CZ2 4.44Å; L187-W280 HydrophobicContact CD1-CZ3 4.13Å; L187-W280 HydrophobicContact CD2-CH2 4.35Å; L187-W280 HydrophobicContact CD2-CZ2 4.37Å
188	V	98.5	Very high	93.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	176	178.2	0	0	0	0	109	F134 P171 R178 M179 V205 H206 W215	F134-V188 HydrophobicContact CD1-CG1 4.21Å; F134-V188 HydrophobicContact CD1-CG2 4.13Å; F134-V188 HydrophobicContact CE1-CG1 4.13Å; P171-V188 HydrophobicContact CG-CB 4.48Å; P171-V188 HydrophobicContact CG-CG1 4.32Å; R178-V188 WeakPolarHBondContact O-CA 3.43Å; M179-V188 HydrophobicContact CB-CG2 4.25Å; M179-V188 HydrophobicContact CG-CG2 3.88Å; M179-V188 HydrophobicContact SD-CG2 4.01Å; V188-V205 WeakPolarHBondContact O-CA 3.03Å; V188-H206 HydrophobicContact CB-CB 4.46Å; V188-H206 PolarHBondContact N-O 3.01Å; V188-H206 PolarHBondContact O-N 2.99Å; V188-W215 HydrophobicContact CG2-CH2 3.82Å; V188-W215 HydrophobicContact CG2-CZ3 3.98Å
189	F	98.6	Very high	93.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.6	176.5	173	-98.4	0	0	0	111.6	R178 N203 V205 P225 R228 M233 I244 W282	R178-F189 PolarHBondContact N-O 3.11Å; R178-F189 PolarHBondContact O-N 3.17Å; F189-N203 HydrophobicContact CE2-CB 4.1Å; F189-N203 WeakPolarHBondContact CE2-O 3.25Å; F189-N203 HydrophobicContact CZ-CB 4.27Å; F189-V205 HydrophobicContact CD2-CG2 3.84Å; F189-P225 HydrophobicContact CE1-CG 4.49Å; F189-P225 HydrophobicContact CE2-CG 4.19Å; F189-P225 HydrophobicContact CZ-CB 3.9Å; F189-P225 HydrophobicContact CZ-CG 3.72Å; F189-R228 HydrophobicContact CE1-CG 3.96Å; F189-R228 HydrophobicContact CZ-CG 4.35Å; F189-M233 HydrophobicContact CB-CE 4.36Å; F189-M233 HydrophobicContact CB-SD 4.07Å; F189-I244 HydrophobicContact CD1-CG1 4.02Å; F189-I244 HydrophobicContact CD1-CG2 4.21Å; F189-I244 HydrophobicContact CE1-CG1 4.36Å; F189-I244 HydrophobicContact CE1-CG2 3.91Å; F189-I244 HydrophobicContact CG-CG1 4.47Å; F189-W282 HydrophobicContact CD2-CH2 4.29Å; F189-W282 HydrophobicContact CD2-CZ2 4.19Å; F189-W282 HydrophobicContact CE2-CH2 4.23Å; F189-W282 HydrophobicContact CE2-CZ2 4.08Å
190	G	98.1	Very high	93	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.			trans	67.8	-148.5	169.1	0	0	0	0	0	114.1	R174 H177 Y202 D204	R174-G190 WeakPolarHBondContact CD-O 3.35Å; R174-G190 PolarHBondContact NH1-O 3.14Å; H177-G190 WeakPolarHBondContact CB-O 3.45Å; G190-Y202 VanDerWaalsContact CA-O 3.28Å; G190-Y202 WeakPolarHBondContact CA-O 3.48Å; G190-D204 PolarHBondContact N-O 2.69Å
191	G	98	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.248	C	C	.	.			trans	103.5	177.6	-175	0	0	0	0	0	112.7	S175 Y201 Y202 R228	S175-G191 CarbonylContact O-C 3.5Å; S175-G191 VanDerWaalsContact O-CA 3.23Å; S175-G191 WeakPolarHBondContact O-CA 3.37Å; G191-Y201 WeakPolarHBondContact O-CA 3.35Å; G191-Y202 PolarHBondContact O-N 3.14Å; G191-R228 PolarHBondContact N-O 3.23Å
192	F	97	Very high	93.2	Very high	35 Å²	35	52 Å²	52	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.1	173.4	94.7	-81.2	0	0	0	111.1	E137 H148 R174 S175 E194 I200 Y201	E137-F192 WeakPolarHBondContact OE2-CE1 3.14Å; E137-F192 VanDerWaalsContact OE2-CZ 3.24Å; E137-F192 WeakPolarHBondContact OE2-CZ 3.21Å; H148-F192 AromaticContact CE1-CE2 3.61Å; H148-F192 AromaticContact CE1-CZ 3.56Å; R174-F192 VanDerWaalsContact CA-O 3.28Å; R174-F192 WeakPolarHBondContact CA-O 3.17Å; S175-F192 PolarHBondContact N-O 2.77Å; S175-F192 PolarHBondContact O-N 3.18Å; S175-F192 VanDerWaalsContact OG-CD1 3.28Å; S175-F192 WeakPolarHBondContact OG-CD1 3.37Å; S175-F192 WeakPolarHBondContact OG-CE1 3.32Å; F192-E194 HydrophobicContact CD2-CB 4.14Å; F192-E194 HydrophobicContact CE2-CB 3.63Å; F192-I200 CarbonylContact C-O 3.55Å; F192-I200 VanDerWaalsContact CA-O 3.25Å; F192-I200 WeakPolarHBondContact CA-O 3.41Å; F192-Y201 HydrophobicContact CB-CD1 3.94Å; F192-Y201 HydrophobicContact CB-CE1 3.93Å; F192-Y201 HydrophobicContact CB-CG 4.42Å
193	H	96.4	Very high	93.5	Very high	57 Å²	57	55 Å²	55	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	126.9	169.7	-176.6	100.6	0	0	0	108.1	H148 G173 F199 I200 Y202	H148-H193 AromaticContact CD2-CE1 3.85Å; H148-H193 AromaticContact CD2-CG 3.86Å; H148-H193 AromaticContact CD2-ND1 3.61Å; H148-H193 AromaticContact CG-ND1 3.67Å; G173-H193 PolarHBondContact O-ND1 3.24Å; H193-F199 CarbonylContact O-C 3.52Å; H193-F199 VanDerWaalsContact O-CA 3.3Å; H193-F199 WeakPolarHBondContact O-CA 3.48Å; H193-I200 PolarHBondContact N-O 2.82Å; H193-I200 PolarHBondContact O-N 3.41Å; H193-Y202 HydrophobicContact CB-CE2 3.69Å; H193-Y202 VanDerWaalsContact CB-OH 3.24Å; H193-Y202 WeakPolarHBondContact CB-OH 3.42Å
194	E	92.4	Very high	94	Very high	71 Å²	71	50.1 Å²	50.1	33%	0.332	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	174.7	177.8	166.7	-138.2	0	0	110.6	F146 H148 F192 F199	F146-E194 HydrophobicContact CD2-CG 4.46Å; F146-E194 VanDerWaalsContact CD2-OE2 3.26Å; F146-E194 WeakPolarHBondContact CD2-OE2 3.14Å; F146-E194 WeakPolarHBondContact CE2-OE2 3.38Å; H148-E194 PolarHBondContact CD2-N 2.93Å; H148-E194 PolarHBondContact CD2-O 3.42Å; H148-E194 PolarHBondContact NE2-N 2.8Å; H148-E194 PolarHBondContact NE2-O 3.34Å; F192-E194 HydrophobicContact CD2-CB 4.14Å; F192-E194 HydrophobicContact CE2-CB 3.63Å; E194-F199 HydrophobicContact CB-CB 4.35Å
195	S	86.2	Confident	94.4	Very high	57 Å²	57	42.9 Å²	42.9	40%	0.399	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	167.9	173.7	68.4	0	0	0	0	107.8	R197 D198	S195-R197 PolarHBondContact O-N 2.94Å; S195-D198 PolarHBondContact N-O 2.73Å; S195-D198 PolarHBondContact O-N 3.08Å; S195-D198 PolarHBondContact OG-N 2.74Å; S195-D198 PolarHBondContact OG-O 3.08Å
196	T	80.6	Confident	94.6	Very high	130 Å²	130	42.3 Å²	42.3	80%	0.798	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-12.8	-177	51.6	0	0	0	0	116.1
197	R	82.4	Confident	94.6	Very high	165 Å²	165	42.3 Å²	42.3	62%	0.623	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-17.2	-177.7	-61.3	-175.5	-177.5	171.4	5.1	114.2	S195 R252	S195-R197 PolarHBondContact O-N 2.94Å; R197-R252 PolarHBondContact O-NH1 2.89Å
198	D	87.9	Confident	94.6	Very high	82 Å²	82	42.2 Å²	42.2	44%	0.439	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	155.6	-168.4	-154	7.1	0	0	0	111.8	S195	S195-D198 PolarHBondContact N-O 2.73Å; S195-D198 PolarHBondContact O-N 3.08Å; S195-D198 PolarHBondContact OG-N 2.74Å; S195-D198 PolarHBondContact OG-O 3.08Å
199	F	92.6	Very high	94.5	Very high	28 Å²	28	43.1 Å²	43.1	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.1	174.7	62.9	-92.8	0	0	0	110.2	H193 E194 Y201 K250 R252 E258	H193-F199 CarbonylContact O-C 3.52Å; H193-F199 VanDerWaalsContact O-CA 3.3Å; H193-F199 WeakPolarHBondContact O-CA 3.48Å; E194-F199 HydrophobicContact CB-CB 4.35Å; F199-Y201 AromaticContact CD2-CD2 3.91Å; F199-Y201 HydrophobicContact CD2-CD2 3.91Å; F199-Y201 AromaticContact CD2-CE2 3.59Å; F199-Y201 HydrophobicContact CD2-CE2 3.59Å; F199-Y201 HydrophobicContact CE2-CD2 4.19Å; F199-Y201 AromaticContact CE2-CE2 3.84Å; F199-Y201 HydrophobicContact CE2-CE2 3.84Å; F199-K250 HydrophobicContact CE2-CB 3.8Å; F199-K250 WeakPolarHBondContact CE2-O 3.46Å; F199-K250 HydrophobicContact CZ-CB 3.97Å; F199-R252 HydrophobicContact CZ-CB 4.5Å; F199-E258 VanDerWaalsContact CE1-CD 3.47Å; F199-E258 HydrophobicContact CE1-CG 4.23Å; F199-E258 WeakPolarHBondContact CE1-OE1 3.38Å; F199-E258 HydrophobicContact CZ-CG 4.32Å
200	I	95.8	Very high	94.3	Very high	84 Å²	84	43.4 Å²	43.4	43%	0.431	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.2	-178.8	-58.2	176.3	0	0	0	108.5	F192 H193 Y202	F192-I200 CarbonylContact C-O 3.55Å; F192-I200 VanDerWaalsContact CA-O 3.25Å; F192-I200 WeakPolarHBondContact CA-O 3.41Å; H193-I200 PolarHBondContact N-O 2.82Å; H193-I200 PolarHBondContact O-N 3.41Å; I200-Y202 HydrophobicContact CB-CE1 4.42Å; I200-Y202 HydrophobicContact CG2-CD1 4.03Å; I200-Y202 HydrophobicContact CG2-CE1 3.69Å
201	Y	97.9	Very high	94.1	Very high	35 Å²	35	47.5 Å²	47.5	14%	0.137	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.9	164.5	-69.9	-96.3	0	0	0	109.2	G191 F192 F199 P227 S229 Y248 K250	G191-Y201 WeakPolarHBondContact O-CA 3.35Å; F192-Y201 HydrophobicContact CB-CD1 3.94Å; F192-Y201 HydrophobicContact CB-CE1 3.93Å; F192-Y201 HydrophobicContact CB-CG 4.42Å; F199-Y201 AromaticContact CD2-CD2 3.91Å; F199-Y201 HydrophobicContact CD2-CD2 3.91Å; F199-Y201 AromaticContact CD2-CE2 3.59Å; F199-Y201 HydrophobicContact CD2-CE2 3.59Å; F199-Y201 HydrophobicContact CE2-CD2 4.19Å; F199-Y201 AromaticContact CE2-CE2 3.84Å; F199-Y201 HydrophobicContact CE2-CE2 3.84Å; Y201-P227 WeakPolarHBondContact O-CB 3.46Å; Y201-S229 WeakPolarHBondContact CE1-OG 3.36Å; Y201-Y248 WeakPolarHBondContact CE1-O 3.4Å; Y201-K250 HydrophobicContact CE2-CB 3.95Å
202	Y	98.2	Very high	93.9	Very high	38 Å²	38	51.9 Å²	51.9	15%	0.149	27%	0.266	C	S	.	.			trans	-108.6	154.8	-179.7	-57.6	-66.6	0	0	0	112.1	S172 R174 G190 G191 H193 I200 D204 P227 R228	S172-Y202 VanDerWaalsContact OG-CZ 3.31Å; S172-Y202 PolarHBondContact OG-OH 3.05Å; R174-Y202 HydrophobicContact CB-CD2 4.16Å; R174-Y202 HydrophobicContact CB-CE2 3.93Å; G190-Y202 VanDerWaalsContact CA-O 3.28Å; G190-Y202 WeakPolarHBondContact CA-O 3.48Å; G191-Y202 PolarHBondContact O-N 3.14Å; H193-Y202 HydrophobicContact CB-CE2 3.69Å; H193-Y202 VanDerWaalsContact CB-OH 3.24Å; H193-Y202 WeakPolarHBondContact CB-OH 3.42Å; I200-Y202 HydrophobicContact CB-CE1 4.42Å; I200-Y202 HydrophobicContact CG2-CD1 4.03Å; I200-Y202 HydrophobicContact CG2-CE1 3.69Å; Y202-D204 WeakPolarHBondContact CB-OD1 3.3Å; Y202-P227 VanDerWaalsContact O-CA 3.32Å; Y202-P227 WeakPolarHBondContact O-CA 3.45Å; Y202-R228 PolarHBondContact O-N 3.11Å
203	N	97.8	Very high	93.8	Very high	64 Å²	64	55 Å²	55	34%	0.342	28%	0.279	S	S	.	.			trans	-136.5	16.2	165.3	66.4	-15.7	0	0	0	112.2	F189 P225 P227	F189-N203 HydrophobicContact CE2-CB 4.1Å; F189-N203 WeakPolarHBondContact CE2-O 3.25Å; F189-N203 HydrophobicContact CZ-CB 4.27Å; N203-P225 WeakPolarHBondContact CB-O 3.48Å; N203-P225 PolarHBondContact ND2-O 2.96Å; N203-P225 VanDerWaalsContact ND2-O 3.08Å; N203-P227 HydrophobicContact CB-CB 4.5Å; N203-P227 HydrophobicContact CB-CG 4.26Å
204	D	97.9	Very high	93.7	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.128	29%	0.285	C	S	.	.			trans	-70.8	156.1	174.3	61.3	-16.2	0	0	0	110.8	R174 G190 Y202 H206	R174-D204 IonicContact CZ-OD1 3.08Å; R174-D204 IonicContact CZ-OD2 2.73Å; R174-D204 IonicContact NH1-OD1 2.83Å; R174-D204 PolarHBondContact NH1-OD1 2.79Å; R174-D204 IonicContact NH1-OD2 3.88Å; R174-D204 IonicContact NH2-OD1 3.87Å; R174-D204 PolarHBondContact NH2-OD1 2.9Å; R174-D204 IonicContact NH2-OD2 3.73Å; R174-D204 PolarHBondContact NH2-OD2 2.99Å; G190-D204 PolarHBondContact N-O 2.69Å; Y202-D204 WeakPolarHBondContact CB-OD1 3.3Å; D204-H206 IonicContact OD2-CD2 3.86Å; D204-H206 PolarHBondContact OD2-CD2 3Å; D204-H206 IonicContact OD2-CE1 2.75Å; D204-H206 IonicContact OD2-NE2 4Å; D204-H206 PolarHBondContact OD2-NE2 2.9Å
205	V	97.9	Very high	94	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.9	175.8	-173.6	0	0	0	0	108.4	V188 F189 L218 P220 L269 W282	V188-V205 WeakPolarHBondContact O-CA 3.03Å; F189-V205 HydrophobicContact CD2-CG2 3.84Å; V205-L218 HydrophobicContact CB-CB 4.19Å; V205-L218 HydrophobicContact CG1-CB 4.22Å; V205-L218 HydrophobicContact CG1-CD1 3.8Å; V205-L218 HydrophobicContact CG1-CG 4.27Å; V205-L218 PolarHBondContact O-N 2.89Å; V205-P220 HydrophobicContact CG2-CG 4.35Å; V205-L269 HydrophobicContact CG1-CD2 3.82Å; V205-L269 HydrophobicContact CG2-CD2 4.19Å; V205-W282 HydrophobicContact CG2-CH2 4.48Å; V205-W282 HydrophobicContact CG2-CZ2 3.58Å
206	H	97.9	Very high	94.5	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.9	173.1	-68	-98.6	0	0	0	110.1	P171 L187 V188 D204 W215 S216	P171-H206 HydrophobicContact CG-CB 3.87Å; L187-H206 CarbonylContact C-O 3.59Å; L187-H206 WeakPolarHBondContact CA-O 3.26Å; V188-H206 HydrophobicContact CB-CB 4.46Å; V188-H206 PolarHBondContact N-O 3.01Å; V188-H206 PolarHBondContact O-N 2.99Å; D204-H206 IonicContact OD2-CD2 3.86Å; D204-H206 PolarHBondContact OD2-CD2 3Å; D204-H206 IonicContact OD2-CE1 2.75Å; D204-H206 IonicContact OD2-NE2 4Å; D204-H206 PolarHBondContact OD2-NE2 2.9Å; H206-W215 HydrophobicContact CB-CE3 3.93Å; H206-W215 HydrophobicContact CB-CZ3 3.94Å; H206-S216 WeakPolarHBondContact CA-O 3.34Å
207	A	96.9	Very high	95.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.6	174.8	0	0	0	0	0	109.7	L186 L187 W215 S216 L218	L186-A207 CarbonylContact O-C 3.56Å; L186-A207 WeakPolarHBondContact O-CA 3.47Å; L187-A207 HydrophobicContact CD2-CB 3.52Å; A207-W215 CarbonylContact O-C 3.58Å; A207-W215 WeakPolarHBondContact O-CA 3.04Å; A207-S216 PolarHBondContact N-O 3.3Å; A207-S216 PolarHBondContact O-N 3Å; A207-S216 PolarHBondContact O-OG 3.25Å; A207-L218 HydrophobicContact CB-CD1 4Å; A207-L218 HydrophobicContact CB-CD2 3.98Å; A207-L218 HydrophobicContact CB-CG 3.99Å
208	F	97.8	Very high	95.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.6	168.4	-174.1	-104.2	0	0	0	109.5	W132 L152 I165 A167 Q185 L186 L210 F213 S214 W215	W132-F208 HydrophobicContact CE3-CE1 4.43Å; W132-F208 AromaticContact CH2-CE1 3.66Å; W132-F208 HydrophobicContact CH2-CE1 3.66Å; W132-F208 HydrophobicContact CH2-CZ 4.36Å; W132-F208 HydrophobicContact CZ3-CD1 4.17Å; W132-F208 AromaticContact CZ3-CE1 3.51Å; W132-F208 HydrophobicContact CZ3-CE1 3.51Å; W132-F208 HydrophobicContact CZ3-CZ 4.15Å; L152-F208 HydrophobicContact CD2-CD1 3.95Å; L152-F208 HydrophobicContact CD2-CD2 3.91Å; L152-F208 HydrophobicContact CD2-CE1 3.88Å; L152-F208 HydrophobicContact CD2-CE2 3.82Å; L152-F208 HydrophobicContact CD2-CG 3.96Å; L152-F208 HydrophobicContact CD2-CZ 3.81Å; I165-F208 HydrophobicContact CG2-CE2 4.23Å; I165-F208 HydrophobicContact CG2-CZ 3.75Å; A167-F208 HydrophobicContact CB-CE2 3.76Å; Q185-F208 CarbonylContact C-O 3.52Å; Q185-F208 WeakPolarHBondContact CA-O 3.14Å; L186-F208 HydrophobicContact CB-CB 4.21Å; L186-F208 HydrophobicContact CD1-CD1 4.21Å; L186-F208 PolarHBondContact N-O 2.71Å; L186-F208 PolarHBondContact O-N 3.13Å; F208-L210 HydrophobicContact CD1-CD2 4.16Å; F208-L210 HydrophobicContact CE1-CD2 4.23Å; F208-F213 HydrophobicContact CE1-CD1 4.42Å; F208-F213 VanDerWaalsContact CE2-C 3.4Å; F208-F213 VanDerWaalsContact CZ-CA 3.47Å; F208-F213 HydrophobicContact CZ-CB 4Å; F208-F213 HydrophobicContact CZ-CD1 4.06Å; F208-F213 HydrophobicContact CZ-CG 4.25Å; F208-S214 WeakPolarHBondContact CA-O 3.33Å; F208-W215 HydrophobicContact CB-CD2 3.87Å; F208-W215 HydrophobicContact CB-CE3 3.63Å; F208-W215 HydrophobicContact CB-CH2 3.77Å; F208-W215 HydrophobicContact CB-CZ2 4Å; F208-W215 HydrophobicContact CB-CZ3 3.58Å; F208-W215 AromaticContact CD2-CD1 3.78Å; F208-W215 AromaticContact CD2-CD2 3.67Å; F208-W215 HydrophobicContact CD2-CD2 3.67Å; F208-W215 AromaticContact CD2-CE2 3.55Å; F208-W215 HydrophobicContact CD2-CE3 4.33Å; F208-W215 AromaticContact CD2-CG 3.83Å; F208-W215 HydrophobicContact CD2-CG 3.83Å; F208-W215 HydrophobicContact CD2-CZ2 4.12Å; F208-W215 AromaticContact CD2-NE1 3.58Å; F208-W215 HydrophobicContact CG-CD2 4.23Å; F208-W215 HydrophobicContact CG-CE3 4.48Å; F208-W215 HydrophobicContact CG-CZ2 4.27Å
209	S	95.4	Very high	96.2	Very high	18 Å²	18	49.7 Å²	49.7	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122	177	172.2	0	0	0	0	110.6	D211 T212 F213 S214	S209-D211 PolarHBondContact O-N 2.92Å; S209-D211 PolarHBondContact OG-N 2.9Å; S209-T212 WeakPolarHBondContact CB-OG1 3.25Å; S209-T212 PolarHBondContact OG-N 2.88Å; S209-T212 PolarHBondContact OG-OG1 2.82Å; S209-F213 VanDerWaalsContact O-CA 3.25Å; S209-F213 WeakPolarHBondContact O-CA 3.16Å; S209-F213 PolarHBondContact O-N 3.01Å; S209-S214 PolarHBondContact N-O 2.86Å
210	L	95.3	Very high	96.3	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12	174.6	-62.8	172.5	0	0	0	112.7	V124 W132 L181 R184 L186 F208 F213	V124-L210 HydrophobicContact CG1-CD1 3.91Å; V124-L210 HydrophobicContact CG2-CD1 4.14Å; W132-L210 HydrophobicContact CD2-CD2 4.35Å; W132-L210 HydrophobicContact CH2-CD2 4.01Å; W132-L210 HydrophobicContact CZ2-CD2 3.56Å; L181-L210 HydrophobicContact CD1-CD1 3.74Å; R184-L210 WeakPolarHBondContact O-CB 3.31Å; R184-L210 PolarHBondContact O-N 2.83Å; L186-L210 HydrophobicContact CD1-CD2 4.25Å; L186-L210 HydrophobicContact CG-CD2 4.2Å; F208-L210 HydrophobicContact CD1-CD2 4.16Å; F208-L210 HydrophobicContact CE1-CD2 4.23Å; L210-F213 VanDerWaalsContact O-CE2 3.25Å; L210-F213 WeakPolarHBondContact O-CE2 3.33Å
211	D	93.1	Very high	96.4	Very high	85 Å²	85	48.1 Å²	48.1	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-39.1	176.4	-65.4	-38.7	0	0	0	111.5	R184 S209	R184-D211 WeakPolarHBondContact CD-OD1 3.29Å; R184-D211 IonicContact CZ-OD1 3.13Å; R184-D211 IonicContact CZ-OD2 2.69Å; R184-D211 VanDerWaalsContact NE-CG 3.3Å; R184-D211 IonicContact NE-OD1 3.91Å; R184-D211 PolarHBondContact NE-OD1 3.36Å; R184-D211 IonicContact NE-OD2 3.65Å; R184-D211 PolarHBondContact NE-OD2 3.07Å; R184-D211 IonicContact NH2-OD1 3.71Å; R184-D211 IonicContact NH2-OD2 2.74Å; R184-D211 PolarHBondContact NH2-OD2 3.17Å; S209-D211 PolarHBondContact O-N 2.92Å; S209-D211 PolarHBondContact OG-N 2.9Å
212	T	93.8	Very high	96.2	Very high	92 Å²	92	49.4 Å²	49.4	56%	0.564	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-4.8	-172.2	57.4	0	0	0	0	113.7	S209 S214	S209-T212 WeakPolarHBondContact CB-OG1 3.25Å; S209-T212 PolarHBondContact OG-N 2.88Å; S209-T212 PolarHBondContact OG-OG1 2.82Å; T212-S214 PolarHBondContact O-N 2.76Å; T212-S214 PolarHBondContact OG1-OG 3.19Å
213	F	94.8	Very high	96.1	Very high	100 Å²	100	52.3 Å²	52.3	44%	0.439	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	40.5	-178.1	-72.9	-110.6	0	0	0	112.8	W132 I165 A167 F208 S209 L210	W132-F213 HydrophobicContact CH2-CD1 4.29Å; W132-F213 AromaticContact CH2-CE1 3.8Å; W132-F213 HydrophobicContact CH2-CE1 3.8Å; W132-F213 HydrophobicContact CZ2-CE1 4.36Å; I165-F213 HydrophobicContact CD1-CD1 4.47Å; I165-F213 HydrophobicContact CD1-CE1 4.39Å; I165-F213 HydrophobicContact CG2-CD1 4.37Å; A167-F213 WeakPolarHBondContact CB-O 3.43Å; F208-F213 HydrophobicContact CE1-CD1 4.42Å; F208-F213 VanDerWaalsContact CE2-C 3.4Å; F208-F213 VanDerWaalsContact CZ-CA 3.47Å; F208-F213 HydrophobicContact CZ-CB 4Å; F208-F213 HydrophobicContact CZ-CD1 4.06Å; F208-F213 HydrophobicContact CZ-CG 4.25Å; S209-F213 VanDerWaalsContact O-CA 3.25Å; S209-F213 WeakPolarHBondContact O-CA 3.16Å; S209-F213 PolarHBondContact O-N 3.01Å; L210-F213 VanDerWaalsContact O-CE2 3.25Å; L210-F213 WeakPolarHBondContact O-CE2 3.33Å
214	S	96.2	Very high	96	Very high	53 Å²	53	51.3 Å²	51.3	37%	0.371	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.9	-176.1	61.6	0	0	0	0	111.9	F208 S209 T212	F208-S214 WeakPolarHBondContact CA-O 3.33Å; S209-S214 PolarHBondContact N-O 2.86Å; T212-S214 PolarHBondContact O-N 2.76Å; T212-S214 PolarHBondContact OG1-OG 3.19Å
215	W	97.9	Very high	95.9	Very high	24 Å²	24	50.2 Å²	50.2	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	148.2	172.3	-72	104.6	0	0	0	111.3	F134 L152 G169 G170 P171 V188 H206 A207 F208	F134-W215 HydrophobicContact CD2-CH2 4.33Å; F134-W215 HydrophobicContact CD2-CZ2 4.02Å; F134-W215 HydrophobicContact CE2-CH2 4.47Å; F134-W215 HydrophobicContact CE2-CZ2 4.08Å; L152-W215 HydrophobicContact CB-CZ2 4.42Å; L152-W215 HydrophobicContact CD1-CZ2 4.28Å; L152-W215 HydrophobicContact CD2-CZ2 3.8Å; L152-W215 HydrophobicContact CG-CZ2 4.4Å; G169-W215 WeakPolarHBondContact O-CB 3.34Å; G170-W215 VanDerWaalsContact CA-CD1 3.49Å; P171-W215 HydrophobicContact CG-CE3 4.42Å; P171-W215 HydrophobicContact CG-CH2 4.18Å; P171-W215 HydrophobicContact CG-CZ3 4.07Å; V188-W215 HydrophobicContact CG2-CH2 3.82Å; V188-W215 HydrophobicContact CG2-CZ3 3.98Å; H206-W215 HydrophobicContact CB-CE3 3.93Å; H206-W215 HydrophobicContact CB-CZ3 3.94Å; A207-W215 CarbonylContact O-C 3.58Å; A207-W215 WeakPolarHBondContact O-CA 3.04Å; F208-W215 HydrophobicContact CB-CD2 3.87Å; F208-W215 HydrophobicContact CB-CE3 3.63Å; F208-W215 HydrophobicContact CB-CH2 3.77Å; F208-W215 HydrophobicContact CB-CZ2 4Å; F208-W215 HydrophobicContact CB-CZ3 3.58Å; F208-W215 AromaticContact CD2-CD1 3.78Å; F208-W215 AromaticContact CD2-CD2 3.67Å; F208-W215 HydrophobicContact CD2-CD2 3.67Å; F208-W215 AromaticContact CD2-CE2 3.55Å; F208-W215 HydrophobicContact CD2-CE3 4.33Å; F208-W215 AromaticContact CD2-CG 3.83Å; F208-W215 HydrophobicContact CD2-CG 3.83Å; F208-W215 HydrophobicContact CD2-CZ2 4.12Å; F208-W215 AromaticContact CD2-NE1 3.58Å; F208-W215 HydrophobicContact CG-CD2 4.23Å; F208-W215 HydrophobicContact CG-CE3 4.48Å; F208-W215 HydrophobicContact CG-CZ2 4.27Å
216	S	95.6	Very high	95.9	Very high	50 Å²	50	52.2 Å²	52.2	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.1	168.7	59.1	0	0	0	0	109.3	H206 A207	H206-S216 WeakPolarHBondContact CA-O 3.34Å; A207-S216 PolarHBondContact N-O 3.3Å; A207-S216 PolarHBondContact O-N 3Å; A207-S216 PolarHBondContact O-OG 3.25Å
217	R	96.5	Very high	95.9	Very high	172 Å²	172	54.2 Å²	54.2	65%	0.649	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	121	170	-174.2	177.5	-179.5	178.2	2	108.6
218	L	95.3	Very high	95.9	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.5	177.2	-56	-173.3	0	0	0	110.2	L187 V205 A207 P220 W280	L187-L218 HydrophobicContact CD2-CD1 4.19Å; V205-L218 HydrophobicContact CB-CB 4.19Å; V205-L218 HydrophobicContact CG1-CB 4.22Å; V205-L218 HydrophobicContact CG1-CD1 3.8Å; V205-L218 HydrophobicContact CG1-CG 4.27Å; V205-L218 PolarHBondContact O-N 2.89Å; A207-L218 HydrophobicContact CB-CD1 4Å; A207-L218 HydrophobicContact CB-CD2 3.98Å; A207-L218 HydrophobicContact CB-CG 3.99Å; L218-P220 VanDerWaalsContact C-CD 3.45Å; L218-P220 HydrophobicContact CB-CG 4.31Å; L218-P220 WeakPolarHBondContact O-CD 3.46Å; L218-W280 HydrophobicContact CD1-CD2 3.88Å; L218-W280 HydrophobicContact CD1-CG 3.98Å; L218-W280 HydrophobicContact CD1-CZ2 4.05Å
219	T	95.2	Very high	95.9	Very high	130 Å²	130	54.7 Å²	54.7	80%	0.798	33%	0.332	S	S	*	.			trans	-121.6	69.7	174.1	48.6	0	0	0	0	110.4	S221	T219-S221 PolarHBondContact O-N 3.13Å
220	P	96	Very high	95.9	Very high	27 Å²	27	55.6 Å²	55.6	18%	0.175	34%	0.341	C	S	.	.			trans	-65.7	138.5	-177	-16	30.9	0	0	0	111.1	V205 L218 L269 W280 W282	V205-P220 HydrophobicContact CG2-CG 4.35Å; L218-P220 VanDerWaalsContact C-CD 3.45Å; L218-P220 HydrophobicContact CB-CG 4.31Å; L218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-L269 HydrophobicContact CB-CD1 3.66Å; P220-L269 HydrophobicContact CG-CD1 3.61Å; P220-W280 CarbonylContact C-O 3.48Å; P220-W280 VanDerWaalsContact CA-O 3.26Å; P220-W280 WeakPolarHBondContact CA-O 3.39Å; P220-W280 HydrophobicContact CB-CB 3.74Å; P220-W280 HydrophobicContact CG-CB 3.89Å; P220-W282 HydrophobicContact CB-CG 4.29Å
221	S	96.1	Very high	96	Very high	53 Å²	53	55.3 Å²	55.3	37%	0.371	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-74.7	163.2	171.7	59.2	0	0	0	0	111.8	T219 W280 S281 W282	T219-S221 PolarHBondContact O-N 3.13Å; S221-W280 PolarHBondContact N-O 3.43Å; S221-W280 PolarHBondContact OG-O 3.04Å; S221-S281 CarbonylContact O-C 3.58Å; S221-S281 WeakPolarHBondContact O-CA 3.35Å; S221-W282 PolarHBondContact O-N 3.29Å
222	G	95	Very high	96.2	Very high	61 Å²	61	52.5 Å²	52.5	63%	0.629	32%	0.323	S	S	*	.	S	Bend	trans	90.6	-172.7	179.3	0	0	0	0	0	114	A224	G222-A224 PolarHBondContact O-N 3.04Å
223	S	94.9	Very high	96.3	Very high	99 Å²	99	48.5 Å²	48.5	69%	0.692	30%	0.299	S	S	*	.			trans	-86.8	102.2	-176.4	-60.6	0	0	0	0	111.3	W282	S223-W282 WeakPolarHBondContact O-CB 3.33Å
224	A	95.8	Very high	96.3	Very high	44 Å²	44	44.2 Å²	44.2	36%	0.364	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.7	156	174.7	0	0	0	0	0	112.2	G222 W282	G222-A224 PolarHBondContact O-N 3.04Å; A224-W282 HydrophobicContact CB-CG 4.21Å
225	P	97.1	Very high	96.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.9	152.6	165.6	-10.1	20.9	0	0	0	111.3	F189 N203 F267 W282	F189-P225 HydrophobicContact CE1-CG 4.49Å; F189-P225 HydrophobicContact CE2-CG 4.19Å; F189-P225 HydrophobicContact CZ-CB 3.9Å; F189-P225 HydrophobicContact CZ-CG 3.72Å; N203-P225 WeakPolarHBondContact CB-O 3.48Å; N203-P225 PolarHBondContact ND2-O 2.96Å; N203-P225 VanDerWaalsContact ND2-O 3.08Å; P225-F267 HydrophobicContact CB-CD2 3.73Å; P225-F267 HydrophobicContact CB-CE2 3.59Å; P225-F267 HydrophobicContact CB-CG 4.24Å; P225-F267 HydrophobicContact CB-CZ 4.03Å; P225-F267 HydrophobicContact CG-CB 4.02Å; P225-F267 HydrophobicContact CG-CD1 4.11Å; P225-F267 HydrophobicContact CG-CD2 3.57Å; P225-F267 HydrophobicContact CG-CE1 4.47Å; P225-F267 HydrophobicContact CG-CE2 3.95Å; P225-F267 HydrophobicContact CG-CG 3.65Å; P225-F267 HydrophobicContact CG-CZ 4.4Å; P225-W282 HydrophobicContact CG-CE3 4.46Å; P225-W282 HydrophobicContact CG-CH2 4.04Å; P225-W282 HydrophobicContact CG-CZ2 4.44Å; P225-W282 HydrophobicContact CG-CZ3 4.04Å
226	S	97.3	Very high	95.7	Very high	46 Å²	46	42.9 Å²	42.9	32%	0.322	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-61.4	156.2	167.9	60.1	0	0	0	0	111.2	R228 H263	S226-R228 PolarHBondContact O-N 3.45Å; S226-R228 PolarHBondContact O-NE 3.03Å; S226-R228 PolarHBondContact OG-NH2 3.19Å; S226-H263 PolarHBondContact OG-CE1 2.98Å; S226-H263 PolarHBondContact OG-ND1 3.22Å
227	P	97.9	Very high	95.3	Very high	52 Å²	52	44.1 Å²	44.1	34%	0.338	28%	0.283	S	S	.	.	S	Bend	trans	-50.3	133.6	170.7	-26.7	35.7	0	0	0	112.9	Y201 Y202 N203 S249	Y201-P227 WeakPolarHBondContact O-CB 3.46Å; Y202-P227 VanDerWaalsContact O-CA 3.32Å; Y202-P227 WeakPolarHBondContact O-CA 3.45Å; N203-P227 HydrophobicContact CB-CB 4.5Å; N203-P227 HydrophobicContact CB-CG 4.26Å; P227-S249 WeakPolarHBondContact O-CB 3.28Å
228	R	97.9	Very high	94.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	28%	0.282	C	S	.	.			trans	-163.5	152.4	-174.1	61.8	-171.3	70.6	-164.8	-3.3	113.1	F189 G191 Y202 S226 C231 G246 Y248 H263 D265	F189-R228 HydrophobicContact CE1-CG 3.96Å; F189-R228 HydrophobicContact CZ-CG 4.35Å; G191-R228 PolarHBondContact N-O 3.23Å; Y202-R228 PolarHBondContact O-N 3.11Å; S226-R228 PolarHBondContact O-N 3.45Å; S226-R228 PolarHBondContact O-NE 3.03Å; S226-R228 PolarHBondContact OG-NH2 3.19Å; R228-C231 HydrophobicContact CG-CB 4.28Å; R228-G246 VanDerWaalsContact CD-O 3.32Å; R228-G246 WeakPolarHBondContact CD-O 3.18Å; R228-G246 PolarHBondContact NH1-O 3.43Å; R228-Y248 CarbonylContact C-O 3.58Å; R228-Y248 VanDerWaalsContact CA-O 3.31Å; R228-Y248 WeakPolarHBondContact CA-O 3.11Å; R228-H263 PolarHBondContact NH2-ND1 3.06Å; R228-D265 IonicContact CZ-OD1 3.68Å; R228-D265 IonicContact NH1-OD1 2.78Å; R228-D265 PolarHBondContact NH1-OD1 3.22Å; R228-D265 IonicContact NH1-OD2 3.86Å; R228-D265 IonicContact NH2-OD1 2.8Å; R228-D265 PolarHBondContact NH2-OD1 2.97Å; R228-D265 IonicContact NH2-OD2 2.82Å; R228-D265 PolarHBondContact NH2-OD2 2.91Å
229	S	97.5	Very high	94.2	Very high	11 Å²	11	41.1 Å²	41.1	8%	0.077	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-117.5	177.1	165.8	72.6	0	0	0	0	109.9	G176 Y201 C231 G247 Y248	G176-S229 CarbonylContact O-C 3.54Å; G176-S229 WeakPolarHBondContact O-CA 3.46Å; Y201-S229 WeakPolarHBondContact CE1-OG 3.36Å; S229-C231 PolarHBondContact O-N 3.4Å; S229-G247 CarbonylContact O-C 3.51Å; S229-G247 WeakPolarHBondContact O-CA 3.49Å; S229-Y248 PolarHBondContact N-O 3.01Å; S229-Y248 PolarHBondContact O-N 3.39Å
230	A	95.5	Very high	93.7	Very high	37 Å²	37	36.1 Å²	36.1	31%	0.306	26%	0.255	S	S	.	.	S	Bend	trans	53.6	20.4	177.2	0	0	0	0	0	114.5	G176	G176-A230 PolarHBondContact O-N 2.82Å
231	C	97	Very high	93.5	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.02	25%	0.247	C	C	.	.			trans	-78.5	156.7	173.3	70.6	0	0	0	0	110.2	R228 S229 I244 G246	R228-C231 HydrophobicContact CG-CB 4.28Å; S229-C231 PolarHBondContact O-N 3.4Å; C231-I244 HydrophobicContact CB-CG2 4.15Å; C231-G246 VanDerWaalsContact CB-O 3.23Å; C231-G246 WeakPolarHBondContact CB-O 3.31Å
232	Q	96.6	Very high	93.5	Very high	25 Å²	25	32.4 Å²	32.4	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.4	173.6	-63	-61.5	-22.1	0	0	110.5	I244 Y245 F298 L300	Q232-I244 CarbonylContact O-C 3.53Å; Q232-I244 VanDerWaalsContact O-CA 3.32Å; Q232-I244 WeakPolarHBondContact O-CA 3.35Å; Q232-Y245 PolarHBondContact N-O 2.91Å; Q232-Y245 PolarHBondContact O-N 3.41Å; Q232-F298 HydrophobicContact CB-CE2 4.01Å; Q232-F298 HydrophobicContact CG-CD2 3.74Å; Q232-F298 HydrophobicContact CG-CE2 3.28Å; Q232-F298 HydrophobicContact CG-CZ 4.05Å; Q232-F298 PolarHBondContact NE2-O 3.34Å; Q232-L300 HydrophobicContact CB-CB 3.94Å; Q232-L300 HydrophobicContact CB-CD2 3.79Å; Q232-L300 HydrophobicContact CB-CG 4.4Å; Q232-L300 HydrophobicContact CG-CB 3.72Å
233	M	95.7	Very high	93.5	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.044	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.4	178.4	-170.7	169.4	53.8	0	0	109.3	R178 V180 L187 F189 V242 I243 I244	R178-M233 HydrophobicContact CB-CB 3.89Å; R178-M233 HydrophobicContact CB-CE 4.02Å; R178-M233 HydrophobicContact CG-CB 3.31Å; R178-M233 HydrophobicContact CG-CE 4.01Å; R178-M233 WeakPolarHBondContact O-CE 3.29Å; V180-M233 HydrophobicContact CB-CE 4.18Å; V180-M233 HydrophobicContact CG1-CB 4Å; V180-M233 HydrophobicContact CG1-CE 3.87Å; V180-M233 HydrophobicContact CG1-CG 3.94Å; V180-M233 VanDerWaalsContact CG1-O 3.27Å; V180-M233 WeakPolarHBondContact CG1-O 3.26Å; V180-M233 HydrophobicContact CG2-CE 3.68Å; V180-M233 HydrophobicContact CG2-CG 4.09Å; V180-M233 HydrophobicContact CG2-SD 4.08Å; L187-M233 WeakPolarHBondContact O-CE 3.47Å; F189-M233 HydrophobicContact CB-CE 4.36Å; F189-M233 HydrophobicContact CB-SD 4.07Å; M233-V242 HydrophobicContact CG-CB 4.01Å; M233-V242 HydrophobicContact CG-CG2 4.22Å; M233-V242 HydrophobicContact SD-CB 4.23Å; M233-V242 HydrophobicContact SD-CG2 3.85Å; M233-I243 CarbonylContact C-O 3.58Å; M233-I243 WeakPolarHBondContact CA-O 3.49Å; M233-I244 HydrophobicContact CB-CG1 4.29Å; M233-I244 HydrophobicContact CG-CD1 4.19Å; M233-I244 HydrophobicContact CG-CG1 3.93Å; M233-I244 HydrophobicContact SD-CD1 4.09Å; M233-I244 HydrophobicContact SD-CG1 4.03Å
234	T	94.4	Very high	93.7	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143	175.3	179.5	0	0	0	0	110.5	V242 I243 V302 T336	T234-V242 CarbonylContact O-C 3.55Å; T234-V242 VanDerWaalsContact O-CA 3.27Å; T234-V242 WeakPolarHBondContact O-CA 3.35Å; T234-I243 HydrophobicContact CG2-CB 3.97Å; T234-I243 PolarHBondContact N-O 2.84Å; T234-I243 PolarHBondContact O-N 3.09Å; T234-V302 WeakPolarHBondContact OG1-CG2 3.16Å; T234-T336 HydrophobicContact CG2-CG2 4.36Å
235	A	92.4	Very high	93.8	Very high	30 Å²	30	23.6 Å²	23.6	25%	0.248	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	146.4	166.8	0	0	0	0	0	110.5
236	T	90.4	Very high	93.8	Very high	19 Å²	19	23.6 Å²	23.6	12%	0.117	15%	0.153	C	C	.	.			trans	-70	148.3	166.4	47.1	0	0	0	0	109.8	D238 G239 A240 G241 I243 L268	T236-D238 WeakPolarHBondContact CB-OD1 3.43Å; T236-D238 PolarHBondContact O-N 3.3Å; T236-D238 PolarHBondContact OG1-OD1 2.83Å; T236-G239 WeakPolarHBondContact O-CA 3.3Å; T236-G239 PolarHBondContact O-N 2.82Å; T236-A240 PolarHBondContact OG1-N 3.04Å; T236-G241 PolarHBondContact N-O 3.03Å; T236-G241 VanDerWaalsContact OG1-C 3.3Å; T236-G241 PolarHBondContact OG1-N 3.35Å; T236-G241 PolarHBondContact OG1-O 2.83Å; T236-I243 HydrophobicContact CG2-CD1 4.25Å; T236-I243 HydrophobicContact CG2-CG1 4.08Å; T236-L268 HydrophobicContact CG2-CD1 3.79Å
237	P	86.3	Confident	93.7	Very high	76 Å²	76	21.4 Å²	21.4	49%	0.494	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.2	-175.9	-27.8	37.7	0	0	0	114.8	G239 T336 V337	P237-G239 VanDerWaalsContact C-N 3.27Å; P237-T336 WeakPolarHBondContact CD-OG1 3.25Å; P237-T336 VanDerWaalsContact CG-OG1 3.3Å; P237-T336 WeakPolarHBondContact CG-OG1 3.47Å; P237-V337 HydrophobicContact CG-CG2 4.02Å
238	D	84.8	Confident	93.7	Very high	118 Å²	118	20.4 Å²	20.4	63%	0.631	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.8	175.7	64.2	-0.8	0	0	0	113.1	T236 A240	T236-D238 WeakPolarHBondContact CB-OD1 3.43Å; T236-D238 PolarHBondContact O-N 3.3Å; T236-D238 PolarHBondContact OG1-OD1 2.83Å; D238-A240 PolarHBondContact O-N 3.42Å; D238-A240 WeakPolarHBondContact OD1-CB 3.4Å; D238-A240 PolarHBondContact OD1-N 3.28Å; D238-A240 WeakPolarHBondContact OD2-CB 3.47Å
239	G	84.4	Confident	93.6	Very high	14 Å²	14	20.9 Å²	20.9	14%	0.144	13%	0.131	C	C	.	.	S	Bend	trans	65.1	12.5	-175.5	0	0	0	0	0	114	S182 K183 T236 P237 G241	S182-G239 PolarHBondContact OG-O 3.29Å; K183-G239 WeakPolarHBondContact CE-O 3.38Å; T236-G239 WeakPolarHBondContact O-CA 3.3Å; T236-G239 PolarHBondContact O-N 2.82Å; P237-G239 VanDerWaalsContact C-N 3.27Å; G239-G241 VanDerWaalsContact C-N 3.3Å
240	A	85.4	Confident	93.3	Very high	25 Å²	25	24 Å²	24	21%	0.207	14%	0.143	C	C	.	.	S	Bend	trans	-83.2	-6.5	-176.7	0	0	0	0	0	113.2	T236 D238 R271	T236-A240 PolarHBondContact OG1-N 3.04Å; D238-A240 PolarHBondContact O-N 3.42Å; D238-A240 WeakPolarHBondContact OD1-CB 3.4Å; D238-A240 PolarHBondContact OD1-N 3.28Å; D238-A240 WeakPolarHBondContact OD2-CB 3.47Å; A240-R271 WeakPolarHBondContact O-CA 3.32Å; A240-R271 WeakPolarHBondContact O-CB 3.21Å; A240-R271 PolarHBondContact O-N 3.42Å
241	G	90.6	Very high	93.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-174.2	178.2	0	0	0	0	0	113.4	T236 G239 L269	T236-G241 PolarHBondContact N-O 3.03Å; T236-G241 VanDerWaalsContact OG1-C 3.3Å; T236-G241 PolarHBondContact OG1-N 3.35Å; T236-G241 PolarHBondContact OG1-O 2.83Å; G239-G241 VanDerWaalsContact C-N 3.3Å; G241-L269 CarbonylContact C-O 3.55Å; G241-L269 WeakPolarHBondContact CA-O 3.29Å
242	V	95.6	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.6	175.6	-60.1	0	0	0	0	110.3	V180 L187 M233 T234 I244 L268 L269	V180-V242 HydrophobicContact CG2-CB 4.31Å; V180-V242 HydrophobicContact CG2-CG1 3.5Å; V180-V242 VanDerWaalsContact CG2-CG1 3.5Å; L187-V242 HydrophobicContact CD1-CG1 3.8Å; L187-V242 HydrophobicContact CD1-CG2 4.24Å; M233-V242 HydrophobicContact CG-CB 4.01Å; M233-V242 HydrophobicContact CG-CG2 4.22Å; M233-V242 HydrophobicContact SD-CB 4.23Å; M233-V242 HydrophobicContact SD-CG2 3.85Å; T234-V242 CarbonylContact O-C 3.55Å; T234-V242 VanDerWaalsContact O-CA 3.27Å; T234-V242 WeakPolarHBondContact O-CA 3.35Å; V242-I244 HydrophobicContact CG2-CD1 3.99Å; V242-L268 WeakPolarHBondContact O-CA 3.29Å; V242-L269 HydrophobicContact CG2-CB 3.69Å; V242-L269 HydrophobicContact CG2-CD2 3.98Å; V242-L269 HydrophobicContact CG2-CG 4.28Å; V242-L269 PolarHBondContact N-O 2.97Å; V242-L269 PolarHBondContact O-N 3.34Å
243	I	96.8	Very high	92.3	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.2	176.6	-62.5	175	0	0	0	107.9	M233 T234 T236 M266 F267 L268 L285 Y334 T336	M233-I243 CarbonylContact C-O 3.58Å; M233-I243 WeakPolarHBondContact CA-O 3.49Å; T234-I243 HydrophobicContact CG2-CB 3.97Å; T234-I243 PolarHBondContact N-O 2.84Å; T234-I243 PolarHBondContact O-N 3.09Å; T236-I243 HydrophobicContact CG2-CD1 4.25Å; T236-I243 HydrophobicContact CG2-CG1 4.08Å; I243-M266 HydrophobicContact CG2-CE 3.78Å; I243-F267 CarbonylContact C-O 3.51Å; I243-F267 VanDerWaalsContact CA-O 3.28Å; I243-F267 WeakPolarHBondContact CA-O 3.33Å; I243-L268 HydrophobicContact CG1-CD1 4.09Å; I243-L285 HydrophobicContact CD1-CD1 4.19Å; I243-L285 HydrophobicContact CG1-CD1 4.05Å; I243-L285 HydrophobicContact CG2-CD1 3.92Å; I243-Y334 HydrophobicContact CD1-CE1 3.93Å; I243-T336 HydrophobicContact CD1-CG2 4.16Å
244	I	97.8	Very high	91.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.3	172.4	-65.7	85.2	0	0	0	108.4	F189 C231 Q232 M233 V242 M266 F267 L269 W282	F189-I244 HydrophobicContact CD1-CG1 4.02Å; F189-I244 HydrophobicContact CD1-CG2 4.21Å; F189-I244 HydrophobicContact CE1-CG1 4.36Å; F189-I244 HydrophobicContact CE1-CG2 3.91Å; F189-I244 HydrophobicContact CG-CG1 4.47Å; C231-I244 HydrophobicContact CB-CG2 4.15Å; Q232-I244 CarbonylContact O-C 3.53Å; Q232-I244 VanDerWaalsContact O-CA 3.32Å; Q232-I244 WeakPolarHBondContact O-CA 3.35Å; M233-I244 HydrophobicContact CB-CG1 4.29Å; M233-I244 HydrophobicContact CG-CD1 4.19Å; M233-I244 HydrophobicContact CG-CG1 3.93Å; M233-I244 HydrophobicContact SD-CD1 4.09Å; M233-I244 HydrophobicContact SD-CG1 4.03Å; V242-I244 HydrophobicContact CG2-CD1 3.99Å; I244-M266 CarbonylContact O-C 3.46Å; I244-M266 VanDerWaalsContact O-CA 3.29Å; I244-M266 WeakPolarHBondContact O-CA 3.41Å; I244-F267 PolarHBondContact N-O 3.14Å; I244-F267 PolarHBondContact O-N 3.31Å; I244-L269 HydrophobicContact CD1-CB 4.48Å; I244-W282 HydrophobicContact CD1-CH2 3.53Å; I244-W282 HydrophobicContact CD1-CZ3 3.61Å; I244-W282 HydrophobicContact CG1-CH2 4.45Å
245	Y	97.8	Very high	91.1	Very high	13 Å²	13	49.7 Å²	49.7	5%	0.051	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132	177.6	176.9	-131.8	0	0	0	111.8	Q232 M266 P292 F298 L310 W341	Q232-Y245 PolarHBondContact N-O 2.91Å; Q232-Y245 PolarHBondContact O-N 3.41Å; Y245-M266 HydrophobicContact CD2-CG 3.2Å; Y245-M266 HydrophobicContact CD2-SD 3.93Å; Y245-M266 HydrophobicContact CE2-CG 3.94Å; Y245-M266 HydrophobicContact CE2-SD 4.38Å; Y245-M266 HydrophobicContact CG-CE 4.47Å; Y245-M266 HydrophobicContact CG-CG 3.87Å; Y245-M266 HydrophobicContact CG-SD 4.32Å; Y245-P292 HydrophobicContact CE1-CG 4.31Å; Y245-P292 WeakPolarHBondContact OH-CG 3.33Å; Y245-F298 AromaticContact CD1-CE2 3.77Å; Y245-F298 HydrophobicContact CD1-CE2 3.77Å; Y245-F298 AromaticContact CD1-CZ 3.64Å; Y245-F298 HydrophobicContact CD1-CZ 3.64Å; Y245-F298 HydrophobicContact CE1-CE1 4.46Å; Y245-F298 AromaticContact CE1-CE2 3.9Å; Y245-F298 HydrophobicContact CE1-CE2 3.9Å; Y245-F298 AromaticContact CE1-CZ 3.63Å; Y245-F298 HydrophobicContact CE1-CZ 3.63Å; Y245-F298 HydrophobicContact CG-CZ 4.49Å; Y245-L310 HydrophobicContact CD1-CD1 4.34Å; Y245-L310 HydrophobicContact CE1-CD1 3.74Å; Y245-W341 HydrophobicContact CD1-CH2 4.05Å; Y245-W341 AromaticContact CD1-CZ2 3.78Å; Y245-W341 HydrophobicContact CD1-CZ2 3.78Å; Y245-W341 AromaticContact CE1-CH2 3.87Å; Y245-W341 HydrophobicContact CE1-CH2 3.87Å; Y245-W341 AromaticContact CE1-CZ2 3.66Å; Y245-W341 HydrophobicContact CE1-CZ2 3.66Å; Y245-W341 HydrophobicContact CG-CZ2 4.32Å
246	G	97.1	Very high	90.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-148.3	168.3	0	0	0	0	0	113.8	R228 C231 H263 D265	R228-G246 VanDerWaalsContact CD-O 3.32Å; R228-G246 WeakPolarHBondContact CD-O 3.18Å; R228-G246 PolarHBondContact NH1-O 3.43Å; C231-G246 VanDerWaalsContact CB-O 3.23Å; C231-G246 WeakPolarHBondContact CB-O 3.31Å; G246-H263 WeakPolarHBondContact CA-O 3.27Å; G246-D265 PolarHBondContact N-O 2.61Å; G246-D265 VanDerWaalsContact N-O 3.17Å
247	G	96.8	Very high	90.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.2	-173.6	-176.5	0	0	0	0	0	112.8	S229 H263	S229-G247 CarbonylContact O-C 3.51Å; S229-G247 WeakPolarHBondContact O-CA 3.49Å; G247-H263 WeakPolarHBondContact O-CB 3.49Å; G247-H263 PolarHBondContact O-N 2.89Å
248	Y	96.4	Very high	90.3	Very high	32 Å²	32	57 Å²	57	13%	0.125	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.7	-176.8	180	-99.3	0	0	0	110.7	Y201 R228 S229 K250 G260 S261 I262	Y201-Y248 WeakPolarHBondContact CE1-O 3.4Å; R228-Y248 CarbonylContact C-O 3.58Å; R228-Y248 VanDerWaalsContact CA-O 3.31Å; R228-Y248 WeakPolarHBondContact CA-O 3.11Å; S229-Y248 PolarHBondContact N-O 3.01Å; S229-Y248 PolarHBondContact O-N 3.39Å; Y248-K250 HydrophobicContact CE1-CD 4.09Å; Y248-K250 HydrophobicContact CE1-CG 3.55Å; Y248-K250 WeakPolarHBondContact OH-CE 3.16Å; Y248-K250 VanDerWaalsContact OH-CG 3.28Å; Y248-K250 WeakPolarHBondContact OH-CG 3.28Å; Y248-G260 VanDerWaalsContact OH-CA 3.3Å; Y248-G260 WeakPolarHBondContact OH-CA 3.1Å; Y248-S261 WeakPolarHBondContact CA-O 3.35Å; Y248-I262 HydrophobicContact CD2-CG1 4.06Å; Y248-I262 HydrophobicContact CE2-CG1 4.47Å
249	S	95.8	Very high	90.5	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.063	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146.4	170.2	63.2	0	0	0	0	110.9	P227 G260 S261 H263	P227-S249 WeakPolarHBondContact O-CB 3.28Å; S249-G260 CarbonylContact O-C 3.59Å; S249-S261 PolarHBondContact N-O 3.49Å; S249-S261 PolarHBondContact O-N 3.38Å; S249-H263 PolarHBondContact OG-NE2 3.25Å
250	K	92.8	Very high	90.8	Very high	78 Å²	78	57.5 Å²	57.5	34%	0.339	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.4	163.8	-70.2	176.5	178.1	-176.6	0	109.9	F199 Y201 Y248 K259	F199-K250 HydrophobicContact CE2-CB 3.8Å; F199-K250 WeakPolarHBondContact CE2-O 3.46Å; F199-K250 HydrophobicContact CZ-CB 3.97Å; Y201-K250 HydrophobicContact CE2-CB 3.95Å; Y248-K250 HydrophobicContact CE1-CD 4.09Å; Y248-K250 HydrophobicContact CE1-CG 3.55Å; Y248-K250 WeakPolarHBondContact OH-CE 3.16Å; Y248-K250 VanDerWaalsContact OH-CG 3.28Å; Y248-K250 WeakPolarHBondContact OH-CG 3.28Å; K250-K259 WeakPolarHBondContact CA-O 3.37Å
251	V	90.9	Very high	91.2	Very high	85 Å²	85	58.5 Å²	58.5	52%	0.515	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.2	170.1	-175.8	0	0	0	0	108.7	V253 K259	V251-V253 PolarHBondContact O-N 2.83Å; V251-K259 PolarHBondContact N-O 3.23Å; V251-K259 PolarHBondContact O-N 3.5Å
252	R	88.4	Confident	91.4	Very high	111 Å²	111	60.6 Å²	60.6	42%	0.419	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	113	173.9	-169.1	169.6	-80.7	171.6	-7.5	109.5	R197 F199 K254 E258	R197-R252 PolarHBondContact O-NH1 2.89Å; F199-R252 HydrophobicContact CZ-CB 4.5Å; R252-K254 WeakPolarHBondContact CG-O 3.42Å; R252-E258 HydrophobicContact CB-CG 4.49Å; R252-E258 HydrophobicContact CG-CG 4.47Å; R252-E258 IonicContact CZ-OE1 3.4Å; R252-E258 IonicContact NE-OE1 3.21Å; R252-E258 PolarHBondContact NE-OE1 3.46Å; R252-E258 IonicContact NH2-OE1 3.79Å; R252-E258 PolarHBondContact NH2-OE1 3.44Å
253	V	87.9	Confident	91.5	Very high	94 Å²	94	61.8 Å²	61.8	57%	0.57	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	-38.9	-175.1	-173.3	0	0	0	0	111.3	V251 V257 K259	V251-V253 PolarHBondContact O-N 2.83Å; V253-V257 PolarHBondContact N-O 2.97Å; V253-K259 HydrophobicContact CG2-CB 3.75Å
254	K	85.9	Confident	91.5	Very high	152 Å²	152	63.4 Å²	63.4	66%	0.661	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	173.1	172.6	-61.7	178.4	-178.6	170.9	0	109.2	R252 D256 V257	R252-K254 WeakPolarHBondContact CG-O 3.42Å; K254-D256 PolarHBondContact O-N 3.16Å; K254-D256 VanDerWaalsContact O-N 3.12Å; K254-V257 HydrophobicContact CB-CB 3.99Å; K254-V257 HydrophobicContact CB-CG2 4.04Å; K254-V257 PolarHBondContact N-O 3.48Å; K254-V257 PolarHBondContact O-N 3.37Å; K254-V257 VanDerWaalsContact O-N 3.11Å
255	K	79.8	Confident	91.4	Very high	179 Å²	179	65 Å²	65	78%	0.778	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	119.4	168.5	-164.8	-170.9	171.1	-169.9	0	107.6	V257	K255-V257 PolarHBondContact O-N 3.28Å
256	D	79.2	Confident	91.4	Very high	132 Å²	132	64.6 Å²	64.6	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	15.8	179.8	-41	-42.5	0	0	0	115.3	K254	K254-D256 PolarHBondContact O-N 3.16Å; K254-D256 VanDerWaalsContact O-N 3.12Å
257	V	84.4	Confident	91.5	Very high	73 Å²	73	65.2 Å²	65.2	44%	0.442	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114.3	172.7	-174.9	0	0	0	0	109.9	V253 K254 K255	V253-V257 PolarHBondContact N-O 2.97Å; K254-V257 HydrophobicContact CB-CB 3.99Å; K254-V257 HydrophobicContact CB-CG2 4.04Å; K254-V257 PolarHBondContact N-O 3.48Å; K254-V257 PolarHBondContact O-N 3.37Å; K254-V257 VanDerWaalsContact O-N 3.11Å; K255-V257 PolarHBondContact O-N 3.28Å
258	E	88.7	Confident	91.5	Very high	73 Å²	73	66.8 Å²	66.8	34%	0.341	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.4	178.8	-62.7	177.3	-176.2	0	0	108.7	F199 R252	F199-E258 VanDerWaalsContact CE1-CD 3.47Å; F199-E258 HydrophobicContact CE1-CG 4.23Å; F199-E258 WeakPolarHBondContact CE1-OE1 3.38Å; F199-E258 HydrophobicContact CZ-CG 4.32Å; R252-E258 HydrophobicContact CB-CG 4.49Å; R252-E258 HydrophobicContact CG-CG 4.47Å; R252-E258 IonicContact CZ-OE1 3.4Å; R252-E258 IonicContact NE-OE1 3.21Å; R252-E258 PolarHBondContact NE-OE1 3.46Å; R252-E258 IonicContact NH2-OE1 3.79Å; R252-E258 PolarHBondContact NH2-OE1 3.44Å
259	K	89	Confident	91.5	Very high	128 Å²	128	65.3 Å²	65.3	56%	0.557	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.5	177.8	-178.9	171.9	-179.7	171.7	0	109.6	K250 V251 V253	K250-K259 WeakPolarHBondContact CA-O 3.37Å; V251-K259 PolarHBondContact N-O 3.23Å; V251-K259 PolarHBondContact O-N 3.5Å; V253-K259 HydrophobicContact CG2-CB 3.75Å
260	G	90.8	Very high	91.5	Very high	16 Å²	16	69 Å²	69	17%	0.165	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	151.4	169.8	0	0	0	0	0	112.2	Y248 S249	Y248-G260 VanDerWaalsContact OH-CA 3.3Å; Y248-G260 WeakPolarHBondContact OH-CA 3.1Å; S249-G260 CarbonylContact O-C 3.59Å
261	S	93.4	Very high	91.4	Very high	46 Å²	46	66.4 Å²	66.4	32%	0.322	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	114	173.9	-68.9	0	0	0	0	109.9	Y248 S249	Y248-S261 WeakPolarHBondContact CA-O 3.35Å; S249-S261 PolarHBondContact N-O 3.49Å; S249-S261 PolarHBondContact O-N 3.38Å
262	I	95.1	Very high	91.1	Very high	45 Å²	45	65.1 Å²	65.1	23%	0.231	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.6	169.9	-62	173.3	0	0	0	108.6	Y248 P294 R295	Y248-I262 HydrophobicContact CD2-CG1 4.06Å; Y248-I262 HydrophobicContact CE2-CG1 4.47Å; I262-P294 HydrophobicContact CG2-CB 4.18Å; I262-R295 WeakPolarHBondContact CG2-O 3.47Å
263	H	96.8	Very high	90.3	Very high	25 Å²	25	62.8 Å²	62.8	12%	0.116	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.5	175.5	-63.2	-72.2	0	0	0	109.8	S226 R228 G246 G247 S249	S226-H263 PolarHBondContact OG-CE1 2.98Å; S226-H263 PolarHBondContact OG-ND1 3.22Å; R228-H263 PolarHBondContact NH2-ND1 3.06Å; G246-H263 WeakPolarHBondContact CA-O 3.27Å; G247-H263 WeakPolarHBondContact O-CB 3.49Å; G247-H263 PolarHBondContact O-N 2.89Å; S249-H263 PolarHBondContact OG-NE2 3.25Å
264	S	96.2	Very high	88.8	Confident	40 Å²	40	66.9 Å²	66.9	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	13.6	176.1	-60.5	0	0	0	0	112.4	P294	S264-P294 WeakPolarHBondContact OG-CA 3.45Å
265	D	97.1	Very high	87	Confident	33 Å²	33	67.3 Å²	67.3	18%	0.176	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	156.5	175.6	52.7	-1.9	0	0	0	111.6	R228 G246 F267	R228-D265 IonicContact CZ-OD1 3.68Å; R228-D265 IonicContact NH1-OD1 2.78Å; R228-D265 PolarHBondContact NH1-OD1 3.22Å; R228-D265 IonicContact NH1-OD2 3.86Å; R228-D265 IonicContact NH2-OD1 2.8Å; R228-D265 PolarHBondContact NH2-OD1 2.97Å; R228-D265 IonicContact NH2-OD2 2.82Å; R228-D265 PolarHBondContact NH2-OD2 2.91Å; G246-D265 PolarHBondContact N-O 2.61Å; G246-D265 VanDerWaalsContact N-O 3.17Å; D265-F267 HydrophobicContact CB-CE2 3.88Å; D265-F267 HydrophobicContact CB-CZ 4.35Å; D265-F267 WeakPolarHBondContact OD2-CE2 3.49Å; D265-F267 WeakPolarHBondContact OD2-CZ 3.16Å
266	M	97.6	Very high	86.1	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.6	179	-69.5	-177.1	76.4	0	0	110.3	I243 I244 Y245 L285 P287 Y334 W341	I243-M266 HydrophobicContact CG2-CE 3.78Å; I244-M266 CarbonylContact O-C 3.46Å; I244-M266 VanDerWaalsContact O-CA 3.29Å; I244-M266 WeakPolarHBondContact O-CA 3.41Å; Y245-M266 HydrophobicContact CD2-CG 3.2Å; Y245-M266 HydrophobicContact CD2-SD 3.93Å; Y245-M266 HydrophobicContact CE2-CG 3.94Å; Y245-M266 HydrophobicContact CE2-SD 4.38Å; Y245-M266 HydrophobicContact CG-CE 4.47Å; Y245-M266 HydrophobicContact CG-CG 3.87Å; Y245-M266 HydrophobicContact CG-SD 4.32Å; M266-L285 HydrophobicContact CB-CB 3.84Å; M266-L285 PolarHBondContact O-N 3.29Å; M266-P287 HydrophobicContact SD-CB 4.23Å; M266-P287 HydrophobicContact SD-CG 3.61Å; M266-Y334 HydrophobicContact CE-CD1 4.19Å; M266-Y334 HydrophobicContact CE-CD2 4.29Å; M266-Y334 HydrophobicContact CE-CE1 3.65Å; M266-Y334 HydrophobicContact CE-CE2 3.78Å; M266-Y334 HydrophobicContact CE-CG 4.49Å; M266-Y334 VanDerWaalsContact CE-CZ 3.43Å; M266-Y334 HydrophobicContact SD-CE2 4.4Å; M266-W341 HydrophobicContact CE-CZ2 4.25Å; M266-W341 HydrophobicContact SD-CZ2 4.14Å; M266-W341 PolarHBondContact SD-NE1 3.21Å
267	F	98.1	Very high	85.7	Confident	13 Å²	13	64.4 Å²	64.4	6%	0.057	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.1	178.6	-61.9	-97.5	0	0	0	110.7	P225 I243 I244 D265 W282 S283 R284	P225-F267 HydrophobicContact CB-CD2 3.73Å; P225-F267 HydrophobicContact CB-CE2 3.59Å; P225-F267 HydrophobicContact CB-CG 4.24Å; P225-F267 HydrophobicContact CB-CZ 4.03Å; P225-F267 HydrophobicContact CG-CB 4.02Å; P225-F267 HydrophobicContact CG-CD1 4.11Å; P225-F267 HydrophobicContact CG-CD2 3.57Å; P225-F267 HydrophobicContact CG-CE1 4.47Å; P225-F267 HydrophobicContact CG-CE2 3.95Å; P225-F267 HydrophobicContact CG-CG 3.65Å; P225-F267 HydrophobicContact CG-CZ 4.4Å; I243-F267 CarbonylContact C-O 3.51Å; I243-F267 VanDerWaalsContact CA-O 3.28Å; I243-F267 WeakPolarHBondContact CA-O 3.33Å; I244-F267 PolarHBondContact N-O 3.14Å; I244-F267 PolarHBondContact O-N 3.31Å; D265-F267 HydrophobicContact CB-CE2 3.88Å; D265-F267 HydrophobicContact CB-CZ 4.35Å; D265-F267 WeakPolarHBondContact OD2-CE2 3.49Å; D265-F267 WeakPolarHBondContact OD2-CZ 3.16Å; F267-W282 HydrophobicContact CB-CE3 4.03Å; F267-W282 HydrophobicContact CB-CZ3 3.9Å; F267-S283 CarbonylContact C-O 3.56Å; F267-S283 WeakPolarHBondContact CA-O 3.45Å; F267-R284 HydrophobicContact CD1-CB 4.32Å; F267-R284 HydrophobicContact CD1-CG 4.46Å; F267-R284 HydrophobicContact CE1-CB 4.31Å; F267-R284 HydrophobicContact CE1-CG 4.24Å
268	L	97	Very high	85.5	Confident	32 Å²	32	65.5 Å²	65.5	17%	0.168	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.1	168.5	173	66.5	0	0	0	108.3	T236 V242 I243 K270 S283 L285	T236-L268 HydrophobicContact CG2-CD1 3.79Å; V242-L268 WeakPolarHBondContact O-CA 3.29Å; I243-L268 HydrophobicContact CG1-CD1 4.09Å; L268-K270 HydrophobicContact CD2-CB 4.42Å; L268-K270 HydrophobicContact CG-CB 4.29Å; L268-S283 PolarHBondContact N-O 2.81Å; L268-S283 PolarHBondContact O-N 2.91Å; L268-S283 PolarHBondContact O-OG 3Å; L268-L285 HydrophobicContact CB-CD1 4.04Å; L268-L285 HydrophobicContact CB-CD2 3.91Å; L268-L285 HydrophobicContact CB-CG 3.92Å
269	L	97.3	Very high	85.6	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.5	162.7	-179.7	59.4	0	0	0	107.9	V205 P220 G241 V242 I244 W280 W282	V205-L269 HydrophobicContact CG1-CD2 3.82Å; V205-L269 HydrophobicContact CG2-CD2 4.19Å; P220-L269 HydrophobicContact CB-CD1 3.66Å; P220-L269 HydrophobicContact CG-CD1 3.61Å; G241-L269 CarbonylContact C-O 3.55Å; G241-L269 WeakPolarHBondContact CA-O 3.29Å; V242-L269 HydrophobicContact CG2-CB 3.69Å; V242-L269 HydrophobicContact CG2-CD2 3.98Å; V242-L269 HydrophobicContact CG2-CG 4.28Å; V242-L269 PolarHBondContact N-O 2.97Å; V242-L269 PolarHBondContact O-N 3.34Å; I244-L269 HydrophobicContact CD1-CB 4.48Å; L269-W280 HydrophobicContact CD1-CB 4.15Å; L269-W280 HydrophobicContact CD1-CE3 3.91Å; L269-W280 HydrophobicContact CD2-CE3 4.04Å; L269-W280 HydrophobicContact CD2-CZ3 4.17Å; L269-W280 HydrophobicContact CG-CE3 3.59Å; L269-W280 HydrophobicContact CG-CZ3 3.92Å; L269-W282 HydrophobicContact CB-CD2 4.39Å; L269-W282 HydrophobicContact CB-CE3 3.82Å; L269-W282 HydrophobicContact CB-CH2 3.69Å; L269-W282 HydrophobicContact CB-CZ2 4.26Å; L269-W282 HydrophobicContact CB-CZ3 3.45Å; L269-W282 VanDerWaalsContact CB-CZ3 3.45Å; L269-W282 HydrophobicContact CD1-CD2 3.91Å; L269-W282 HydrophobicContact CD1-CE3 4.2Å; L269-W282 HydrophobicContact CD1-CG 4.44Å; L269-W282 HydrophobicContact CD1-CH2 4.33Å; L269-W282 HydrophobicContact CD1-CZ2 4.03Å; L269-W282 HydrophobicContact CD1-CZ3 4.41Å; L269-W282 HydrophobicContact CD2-CH2 4.19Å; L269-W282 HydrophobicContact CD2-CZ2 4.2Å; L269-W282 HydrophobicContact CG-CH2 4.27Å; L269-W282 HydrophobicContact CG-CZ2 4.38Å; L269-W282 HydrophobicContact CG-CZ3 4.38Å
270	K	94.5	Very high	85.9	Confident	87 Å²	87	63 Å²	63	38%	0.378	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.8	-177.8	-166.5	-176.2	179.7	-137.5	0	110.7	L268 D272 W280 S281	L268-K270 HydrophobicContact CD2-CB 4.42Å; L268-K270 HydrophobicContact CG-CB 4.29Å; K270-D272 WeakPolarHBondContact CE-OD1 3.44Å; K270-D272 IonicContact NZ-OD1 3.28Å; K270-D272 PolarHBondContact NZ-OD1 3.37Å; K270-W280 WeakPolarHBondContact O-CA 3.39Å; K270-S281 PolarHBondContact N-O 2.87Å; K270-S281 PolarHBondContact O-N 3.2Å
271	R	91.6	Very high	86.2	Confident	23 Å²	23	63.5 Å²	63.5	9%	0.087	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.8	168.7	-162.2	-172.2	-52.5	-146.7	-1.5	108.8	S182 Q185 A240 E278 W280	S182-R271 PolarHBondContact O-NH2 2.93Å; S182-R271 PolarHBondContact OG-NH2 3.35Å; Q185-R271 VanDerWaalsContact OE1-NH2 3.08Å; A240-R271 WeakPolarHBondContact O-CA 3.32Å; A240-R271 WeakPolarHBondContact O-CB 3.21Å; A240-R271 PolarHBondContact O-N 3.42Å; R271-E278 WeakPolarHBondContact CD-OE1 3.34Å; R271-E278 IonicContact CZ-OE1 3.78Å; R271-E278 IonicContact NH1-OE1 2.91Å; R271-E278 PolarHBondContact NH1-OE1 3.38Å; R271-E278 IonicContact NH1-OE2 3.42Å; R271-W280 HydrophobicContact CB-CD2 4.26Å; R271-W280 HydrophobicContact CB-CE3 3.89Å; R271-W280 HydrophobicContact CB-CH2 3.77Å; R271-W280 HydrophobicContact CB-CZ2 4.09Å; R271-W280 HydrophobicContact CB-CZ3 3.65Å; R271-W280 HydrophobicContact CG-CD2 4.19Å; R271-W280 HydrophobicContact CG-CE3 4.32Å; R271-W280 HydrophobicContact CG-CH2 3.94Å; R271-W280 HydrophobicContact CG-CZ2 3.73Å; R271-W280 HydrophobicContact CG-CZ3 4.22Å; R271-W280 VanDerWaalsContact CZ-CZ2 3.45Å
272	D	85.5	Confident	86.4	Confident	57 Å²	57	62.1 Å²	62.1	31%	0.305	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.9	171.9	-64.4	-57.5	0	0	0	108.5	K270 K279 S281	K270-D272 WeakPolarHBondContact CE-OD1 3.44Å; K270-D272 IonicContact NZ-OD1 3.28Å; K270-D272 PolarHBondContact NZ-OD1 3.37Å; D272-K279 PolarHBondContact N-O 3.11Å; D272-K279 WeakPolarHBondContact O-CA 3.4Å; D272-K279 PolarHBondContact O-N 2.8Å; D272-S281 PolarHBondContact OD2-OG 3.45Å; D272-S281 VanDerWaalsContact OD2-OG 3.08Å
273	G	69.7	Low	86.4	Confident	62 Å²	62	62.3 Å²	62.3	64%	0.639	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	120.8	178.5	0	0	0	0	0	111.3
274	K	56.9	Low	86.5	Confident	180 Å²	180	69.4 Å²	69.4	78%	0.783	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.6	156.3	-71	-174.4	177.6	-177.3	0	106.2	G276	K274-G276 PolarHBondContact O-N 2.9Å
275	D	49.3	Very low	86.5	Confident	162 Å²	162	68.9 Å²	68.9	87%	0.866	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	39.2	169.3	-45.2	-41.9	0	0	0	116.2	Q277	D275-Q277 VanDerWaalsContact C-N 3.29Å; D275-Q277 PolarHBondContact O-N 2.7Å
276	G	60.1	Low	86.4	Confident	86 Å²	86	72 Å²	72	89%	0.887	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-1	166.9	0	0	0	0	0	116.6	K274	K274-G276 PolarHBondContact O-N 2.9Å
277	Q	69.9	Low	86.3	Confident	163 Å²	163	73.6 Å²	73.6	76%	0.762	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.1	168.6	-74	-176.2	-6.3	0	0	110.6	D275 K279	D275-Q277 VanDerWaalsContact C-N 3.29Å; D275-Q277 PolarHBondContact O-N 2.7Å; Q277-K279 PolarHBondContact O-N 3.3Å
278	E	81.5	Confident	86.2	Confident	97 Å²	97	76 Å²	76	45%	0.453	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.1	173.1	-62.9	-164.5	136.8	0	0	109.9	Q185 R271	Q185-E278 PolarHBondContact NE2-OE2 3.3Å; R271-E278 WeakPolarHBondContact CD-OE1 3.34Å; R271-E278 IonicContact CZ-OE1 3.78Å; R271-E278 IonicContact NH1-OE1 2.91Å; R271-E278 PolarHBondContact NH1-OE1 3.38Å; R271-E278 IonicContact NH1-OE2 3.42Å
279	K	91	Very high	86.1	Confident	137 Å²	137	76.8 Å²	76.8	60%	0.596	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.6	172	-170.3	175.2	-178.6	179.3	0	109.5	D272 Q277	D272-K279 PolarHBondContact N-O 3.11Å; D272-K279 WeakPolarHBondContact O-CA 3.4Å; D272-K279 PolarHBondContact O-N 2.8Å; Q277-K279 PolarHBondContact O-N 3.3Å
280	W	94.5	Very high	86	Confident	12 Å²	12	79.9 Å²	79.9	5%	0.045	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.7	179.4	-67.8	89.9	0	0	0	111	L187 L218 P220 S221 L269 K270 R271	L187-W280 HydrophobicContact CD1-CH2 3.64Å; L187-W280 HydrophobicContact CD1-CZ2 4.44Å; L187-W280 HydrophobicContact CD1-CZ3 4.13Å; L187-W280 HydrophobicContact CD2-CH2 4.35Å; L187-W280 HydrophobicContact CD2-CZ2 4.37Å; L218-W280 HydrophobicContact CD1-CD2 3.88Å; L218-W280 HydrophobicContact CD1-CG 3.98Å; L218-W280 HydrophobicContact CD1-CZ2 4.05Å; P220-W280 CarbonylContact C-O 3.48Å; P220-W280 VanDerWaalsContact CA-O 3.26Å; P220-W280 WeakPolarHBondContact CA-O 3.39Å; P220-W280 HydrophobicContact CB-CB 3.74Å; P220-W280 HydrophobicContact CG-CB 3.89Å; S221-W280 PolarHBondContact N-O 3.43Å; S221-W280 PolarHBondContact OG-O 3.04Å; L269-W280 HydrophobicContact CD1-CB 4.15Å; L269-W280 HydrophobicContact CD1-CE3 3.91Å; L269-W280 HydrophobicContact CD2-CE3 4.04Å; L269-W280 HydrophobicContact CD2-CZ3 4.17Å; L269-W280 HydrophobicContact CG-CE3 3.59Å; L269-W280 HydrophobicContact CG-CZ3 3.92Å; K270-W280 WeakPolarHBondContact O-CA 3.39Å; R271-W280 HydrophobicContact CB-CD2 4.26Å; R271-W280 HydrophobicContact CB-CE3 3.89Å; R271-W280 HydrophobicContact CB-CH2 3.77Å; R271-W280 HydrophobicContact CB-CZ2 4.09Å; R271-W280 HydrophobicContact CB-CZ3 3.65Å; R271-W280 HydrophobicContact CG-CD2 4.19Å; R271-W280 HydrophobicContact CG-CE3 4.32Å; R271-W280 HydrophobicContact CG-CH2 3.94Å; R271-W280 HydrophobicContact CG-CZ2 3.73Å; R271-W280 HydrophobicContact CG-CZ3 4.22Å; R271-W280 VanDerWaalsContact CZ-CZ2 3.45Å
281	S	96.5	Very high	86	Confident	26 Å²	26	82.4 Å²	82.4	18%	0.182	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.9	179.5	62.9	0	0	0	0	112.1	S221 K270 D272	S221-S281 CarbonylContact O-C 3.58Å; S221-S281 WeakPolarHBondContact O-CA 3.35Å; K270-S281 PolarHBondContact N-O 2.87Å; K270-S281 PolarHBondContact O-N 3.2Å; D272-S281 PolarHBondContact OD2-OG 3.45Å; D272-S281 VanDerWaalsContact OD2-OG 3.08Å
282	W	97.9	Very high	86.2	Confident	17 Å²	17	81.4 Å²	81.4	6%	0.064	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.6	172.8	-75.7	120	0	0	0	110.8	F189 V205 P220 S221 S223 A224 P225 I244 F267 L269	F189-W282 HydrophobicContact CD2-CH2 4.29Å; F189-W282 HydrophobicContact CD2-CZ2 4.19Å; F189-W282 HydrophobicContact CE2-CH2 4.23Å; F189-W282 HydrophobicContact CE2-CZ2 4.08Å; V205-W282 HydrophobicContact CG2-CH2 4.48Å; V205-W282 HydrophobicContact CG2-CZ2 3.58Å; P220-W282 HydrophobicContact CB-CG 4.29Å; S221-W282 PolarHBondContact O-N 3.29Å; S223-W282 WeakPolarHBondContact O-CB 3.33Å; A224-W282 HydrophobicContact CB-CG 4.21Å; P225-W282 HydrophobicContact CG-CE3 4.46Å; P225-W282 HydrophobicContact CG-CH2 4.04Å; P225-W282 HydrophobicContact CG-CZ2 4.44Å; P225-W282 HydrophobicContact CG-CZ3 4.04Å; I244-W282 HydrophobicContact CD1-CH2 3.53Å; I244-W282 HydrophobicContact CD1-CZ3 3.61Å; I244-W282 HydrophobicContact CG1-CH2 4.45Å; F267-W282 HydrophobicContact CB-CE3 4.03Å; F267-W282 HydrophobicContact CB-CZ3 3.9Å; L269-W282 HydrophobicContact CB-CD2 4.39Å; L269-W282 HydrophobicContact CB-CE3 3.82Å; L269-W282 HydrophobicContact CB-CH2 3.69Å; L269-W282 HydrophobicContact CB-CZ2 4.26Å; L269-W282 HydrophobicContact CB-CZ3 3.45Å; L269-W282 VanDerWaalsContact CB-CZ3 3.45Å; L269-W282 HydrophobicContact CD1-CD2 3.91Å; L269-W282 HydrophobicContact CD1-CE3 4.2Å; L269-W282 HydrophobicContact CD1-CG 4.44Å; L269-W282 HydrophobicContact CD1-CH2 4.33Å; L269-W282 HydrophobicContact CD1-CZ2 4.03Å; L269-W282 HydrophobicContact CD1-CZ3 4.41Å; L269-W282 HydrophobicContact CD2-CH2 4.19Å; L269-W282 HydrophobicContact CD2-CZ2 4.2Å; L269-W282 HydrophobicContact CG-CH2 4.27Å; L269-W282 HydrophobicContact CG-CZ2 4.38Å; L269-W282 HydrophobicContact CG-CZ3 4.38Å
283	S	96.7	Very high	86.7	Confident	48 Å²	48	81 Å²	81	34%	0.336	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.9	167.7	56.7	0	0	0	0	110.1	F267 L268	F267-S283 CarbonylContact C-O 3.56Å; F267-S283 WeakPolarHBondContact CA-O 3.45Å; L268-S283 PolarHBondContact N-O 2.81Å; L268-S283 PolarHBondContact O-N 2.91Å; L268-S283 PolarHBondContact O-OG 3Å
284	R	97.1	Very high	88	Confident	174 Å²	174	81.3 Å²	81.3	66%	0.657	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	135	173.9	-166.8	177.7	-168.6	-170.7	4.1	109.3	F267	F267-R284 HydrophobicContact CD1-CB 4.32Å; F267-R284 HydrophobicContact CD1-CG 4.46Å; F267-R284 HydrophobicContact CE1-CB 4.31Å; F267-R284 HydrophobicContact CE1-CG 4.24Å
285	L	96.1	Very high	89.8	Confident	29 Å²	29	72.9 Å²	72.9	15%	0.152	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.6	172.8	-64.9	179.5	0	0	0	110.3	I243 M266 L268 P287	I243-L285 HydrophobicContact CD1-CD1 4.19Å; I243-L285 HydrophobicContact CG1-CD1 4.05Å; I243-L285 HydrophobicContact CG2-CD1 3.92Å; M266-L285 HydrophobicContact CB-CB 3.84Å; M266-L285 PolarHBondContact O-N 3.29Å; L268-L285 HydrophobicContact CB-CD1 4.04Å; L268-L285 HydrophobicContact CB-CD2 3.91Å; L268-L285 HydrophobicContact CB-CG 3.92Å; L285-P287 WeakPolarHBondContact O-CD 3.15Å
286	S	95.5	Very high	92	Very high	100 Å²	100	65.8 Å²	65.8	70%	0.699	38%	0.38	S	S	*	.			trans	-118.9	82.3	173	-63.3	0	0	0	0	108.3	N339	S286-N339 PolarHBondContact O-ND2 3.17Å
287	P	95.4	Very high	93.7	Very high	39 Å²	39	62.2 Å²	62.2	25%	0.253	34%	0.344	S	S	.	.			trans	-66.1	145	-177.7	31.9	-40.3	0	0	0	111.2	M266 L285 Y334 N339	M266-P287 HydrophobicContact SD-CB 4.23Å; M266-P287 HydrophobicContact SD-CG 3.61Å; L285-P287 WeakPolarHBondContact O-CD 3.15Å; P287-Y334 HydrophobicContact CB-CE2 3.97Å; P287-N339 VanDerWaalsContact CA-O 3.28Å; P287-N339 WeakPolarHBondContact CA-O 3.47Å; P287-N339 VanDerWaalsContact CA-OD1 3.32Å; P287-N339 WeakPolarHBondContact CA-OD1 3.24Å; P287-N339 WeakPolarHBondContact CB-OD1 3.44Å
288	S	96.5	Very high	95	Very high	62 Å²	62	54.6 Å²	54.6	43%	0.434	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	172.6	171.3	63.9	0	0	0	0	111.5	N339 R340 W341	S288-N339 PolarHBondContact N-O 2.82Å; S288-N339 PolarHBondContact OG-O 3Å; S288-R340 CarbonylContact O-C 3.59Å; S288-R340 WeakPolarHBondContact O-CA 3.44Å; S288-R340 WeakPolarHBondContact O-CG 3.4Å; S288-R340 WeakPolarHBondContact OG-CB 3.46Å; S288-R340 WeakPolarHBondContact OG-CD 3.29Å; S288-R340 WeakPolarHBondContact OG-CG 3.44Å; S288-W341 PolarHBondContact O-N 3.22Å
289	G	95.4	Very high	95.7	Very high	49 Å²	49	50.3 Å²	50.3	51%	0.505	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.4	-159.4	174.7	0	0	0	0	0	114.2	K291 W341	G289-K291 PolarHBondContact O-N 3.08Å; G289-W341 WeakPolarHBondContact CA-O 3.39Å
290	S	95.2	Very high	96	Very high	68 Å²	68	45 Å²	45	48%	0.476	27%	0.267	S	S	.	.			trans	-97.8	93.5	-173.1	-55.3	0	0	0	0	109.9	Y332 W341	S290-Y332 WeakPolarHBondContact O-CD1 3.24Å; S290-Y332 WeakPolarHBondContact O-CE1 3.32Å; S290-W341 PolarHBondContact N-O 2.99Å; S290-W341 VanDerWaalsContact O-CB 3.27Å; S290-W341 WeakPolarHBondContact O-CB 3.44Å
291	K	94.5	Very high	96	Very high	139 Å²	139	44.7 Å²	44.7	60%	0.604	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-69	151.8	175.7	61.6	175.8	-177	169.6	0	111.6	G289 W341	G289-K291 PolarHBondContact O-N 3.08Å; K291-W341 HydrophobicContact CB-CG 4.34Å
292	P	96.1	Very high	95.8	Very high	3 Å²	3	47 Å²	47	2%	0.019	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-63.3	150.2	168.8	13.3	-12.7	0	0	0	111.1	Y245 L310 Y332 W341	Y245-P292 HydrophobicContact CE1-CG 4.31Å; Y245-P292 WeakPolarHBondContact OH-CG 3.33Å; P292-L310 HydrophobicContact CG-CD1 4.01Å; P292-Y332 HydrophobicContact CB-CD1 4.16Å; P292-Y332 HydrophobicContact CB-CD2 3.75Å; P292-Y332 HydrophobicContact CB-CE1 4.11Å; P292-Y332 HydrophobicContact CB-CE2 3.69Å; P292-Y332 HydrophobicContact CB-CG 3.98Å; P292-Y332 HydrophobicContact CG-CD1 4.14Å; P292-Y332 HydrophobicContact CG-CD2 4.2Å; P292-Y332 HydrophobicContact CG-CG 3.97Å; P292-W341 HydrophobicContact CG-CH2 4.44Å; P292-W341 HydrophobicContact CG-CZ3 4.33Å
293	P	95.5	Very high	95.2	Very high	47 Å²	47	46.6 Å²	46.6	31%	0.305	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.6	163.6	170.9	31.6	-36.6	0	0	0	110.5	R295 Y328	P293-R295 VanDerWaalsContact CD-NH2 3.25Å; P293-R295 WeakPolarHBondContact O-CG 3.46Å; P293-R295 PolarHBondContact O-N 3.24Å; P293-R295 PolarHBondContact O-NE 2.9Å; P293-Y328 HydrophobicContact CG-CE1 4.19Å
294	P	95.4	Very high	94.3	Very high	70 Å²	70	47.2 Å²	47.2	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-53.3	130.4	178.8	-25	35.3	0	0	0	112	I262 S264 C315	I262-P294 HydrophobicContact CG2-CB 4.18Å; S264-P294 WeakPolarHBondContact OG-CA 3.45Å; P294-C315 WeakPolarHBondContact O-CB 3.35Å
295	R	95.8	Very high	93.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	29%	0.285	C	S	.	.			trans	-165.8	158.8	178.2	57.6	-173.9	69.8	-173.9	3.6	111.1	I262 P293 F298 G312 V314 Y328 D330	I262-R295 WeakPolarHBondContact CG2-O 3.47Å; P293-R295 VanDerWaalsContact CD-NH2 3.25Å; P293-R295 WeakPolarHBondContact O-CG 3.46Å; P293-R295 PolarHBondContact O-N 3.24Å; P293-R295 PolarHBondContact O-NE 2.9Å; R295-F298 HydrophobicContact CG-CD1 3.78Å; R295-F298 HydrophobicContact CG-CE1 4.29Å; R295-F298 WeakPolarHBondContact O-CE1 3.34Å; R295-G312 VanDerWaalsContact CD-O 3.28Å; R295-G312 WeakPolarHBondContact CD-O 3.28Å; R295-G312 PolarHBondContact NH1-O 3.09Å; R295-V314 CarbonylContact C-O 3.52Å; R295-V314 VanDerWaalsContact CA-O 3.24Å; R295-V314 WeakPolarHBondContact CA-O 3.36Å; R295-V314 WeakPolarHBondContact CB-O 3.46Å; R295-Y328 HydrophobicContact CB-CD2 4.3Å; R295-Y328 HydrophobicContact CB-CE2 4.1Å; R295-Y328 VanDerWaalsContact CZ-CD2 3.46Å; R295-Y328 VanDerWaalsContact NH2-CG 3.29Å; R295-D330 IonicContact CZ-OD1 3.34Å; R295-D330 IonicContact CZ-OD2 3.41Å; R295-D330 IonicContact NH1-OD1 3.41Å; R295-D330 PolarHBondContact NH1-OD1 2.86Å; R295-D330 IonicContact NH1-OD2 2.69Å; R295-D330 PolarHBondContact NH1-OD2 2.83Å; R295-D330 IonicContact NH2-OD1 3.99Å; R295-D330 IonicContact NH2-OD2 3.64Å; R295-D330 PolarHBondContact NH2-OD2 3.13Å
296	S	95.3	Very high	92.7	Very high	13 Å²	13	42.1 Å²	42.1	9%	0.091	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-120.8	178	171.6	84.4	0	0	0	0	110.2	F298 G313 V314	S296-F298 PolarHBondContact O-N 3.04Å; S296-G313 CarbonylContact O-C 3.59Å; S296-G313 WeakPolarHBondContact O-CA 3.33Å; S296-V314 PolarHBondContact N-O 2.88Å; S296-V314 PolarHBondContact O-N 3.35Å
297	G	94.9	Very high	92.4	Very high	12 Å²	12	43.5 Å²	43.5	12%	0.124	27%	0.274	C	S	.	.	S	Bend	trans	62.4	10.9	174.2	0	0	0	0	0	115.9	S412 S413	G297-S412 CarbonylContact O-C 3.57Å; G297-S413 PolarHBondContact O-N 2.88Å
298	F	97.4	Very high	92.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	26%	0.262	C	S	.	.			trans	-76.6	149	178.1	55.9	-91.9	0	0	0	111.2	Q232 Y245 R295 S296 L310 G312	Q232-F298 HydrophobicContact CB-CE2 4.01Å; Q232-F298 HydrophobicContact CG-CD2 3.74Å; Q232-F298 HydrophobicContact CG-CE2 3.28Å; Q232-F298 HydrophobicContact CG-CZ 4.05Å; Q232-F298 PolarHBondContact NE2-O 3.34Å; Y245-F298 AromaticContact CD1-CE2 3.77Å; Y245-F298 HydrophobicContact CD1-CE2 3.77Å; Y245-F298 AromaticContact CD1-CZ 3.64Å; Y245-F298 HydrophobicContact CD1-CZ 3.64Å; Y245-F298 HydrophobicContact CE1-CE1 4.46Å; Y245-F298 AromaticContact CE1-CE2 3.9Å; Y245-F298 HydrophobicContact CE1-CE2 3.9Å; Y245-F298 AromaticContact CE1-CZ 3.63Å; Y245-F298 HydrophobicContact CE1-CZ 3.63Å; Y245-F298 HydrophobicContact CG-CZ 4.49Å; R295-F298 HydrophobicContact CG-CD1 3.78Å; R295-F298 HydrophobicContact CG-CE1 4.29Å; R295-F298 WeakPolarHBondContact O-CE1 3.34Å; S296-F298 PolarHBondContact O-N 3.04Å; F298-L310 HydrophobicContact CB-CD1 4.42Å; F298-L310 HydrophobicContact CB-CD2 4.23Å; F298-L310 HydrophobicContact CB-CG 4.15Å; F298-L310 HydrophobicContact CD2-CD1 3.26Å; F298-L310 HydrophobicContact CD2-CD2 4.48Å; F298-L310 HydrophobicContact CD2-CG 3.6Å; F298-L310 HydrophobicContact CE2-CD1 3.45Å; F298-L310 VanDerWaalsContact CE2-CD1 3.45Å; F298-L310 HydrophobicContact CE2-CG 4.26Å; F298-L310 HydrophobicContact CG-CD1 3.84Å; F298-L310 HydrophobicContact CG-CD2 4.5Å; F298-L310 HydrophobicContact CG-CG 4.08Å; F298-L310 HydrophobicContact CZ-CD1 4.19Å; F298-G312 WeakPolarHBondContact CB-O 3.43Å
299	S	97.1	Very high	92.4	Very high	8 Å²	8	39 Å²	39	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.9	177.5	-43.9	0	0	0	0	110.4	L310 F311 A414	S299-L310 VanDerWaalsContact O-CA 3.29Å; S299-L310 WeakPolarHBondContact O-CA 3.38Å; S299-F311 PolarHBondContact N-O 3.38Å; S299-F311 PolarHBondContact O-N 3.01Å; S299-A414 WeakPolarHBondContact CB-O 3.36Å; S299-A414 VanDerWaalsContact OG-C 3.31Å; S299-A414 PolarHBondContact OG-O 2.96Å
300	L	96.4	Very high	92.5	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131	172.6	-167	82.3	0	0	0	110.5	Q232 A308 V309 L310	Q232-L300 HydrophobicContact CB-CB 3.94Å; Q232-L300 HydrophobicContact CB-CD2 3.79Å; Q232-L300 HydrophobicContact CB-CG 4.4Å; Q232-L300 HydrophobicContact CG-CB 3.72Å; L300-A308 HydrophobicContact CD1-CB 3.92Å; L300-A308 HydrophobicContact CD2-CB 4.23Å; L300-A308 HydrophobicContact CG-CB 4.19Å; L300-V309 WeakPolarHBondContact CA-O 3.16Å; L300-L310 HydrophobicContact CD1-CB 4Å
301	A	95.9	Very high	92.7	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.8	172.4	0	0	0	0	0	111	A308 V309 A416 V418 L423	A301-A308 CarbonylContact O-C 3.56Å; A301-A308 WeakPolarHBondContact O-CA 3.34Å; A301-V309 PolarHBondContact N-O 2.89Å; A301-V309 PolarHBondContact O-N 2.77Å; A301-A416 HydrophobicContact CB-CB 4.12Å; A301-V418 HydrophobicContact CB-CG2 3.81Å; A301-L423 HydrophobicContact CB-CD1 3.87Å
302	V	92.2	Very high	92.8	Very high	73 Å²	73	26.9 Å²	26.9	44%	0.442	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.9	-178.6	-173.7	0	0	0	0	109.3	T234	T234-V302 WeakPolarHBondContact OG1-CG2 3.16Å
303	G	85.4	Confident	92.9	Very high	9 Å²	9	26.8 Å²	26.8	9%	0.093	17%	0.167	C	C	.	.			trans	-88	-175.9	174.5	0	0	0	0	0	114	G306 R307	G303-G306 PolarHBondContact O-N 2.76Å; G303-R307 WeakPolarHBondContact CA-O 3.33Å; G303-R307 PolarHBondContact N-O 2.97Å
304	P	78.1	Confident	92.9	Very high	61 Å²	61	25 Å²	25	40%	0.396	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-56.3	148.4	-178.8	-24.4	33.9	0	0	0	113.2	G306 R307	P304-G306 PolarHBondContact O-N 3.11Å; P304-R307 PolarHBondContact O-N 2.9Å
305	A	78.6	Confident	92.8	Very high	84 Å²	84	22.5 Å²	22.5	69%	0.694	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	56.6	29	179.4	0	0	0	0	0	114.4	R307	A305-R307 VanDerWaalsContact C-N 3.33Å; A305-R307 PolarHBondContact O-N 2.74Å
306	G	79.9	Confident	92.4	Very high	12 Å²	12	24.8 Å²	24.8	12%	0.124	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	75.1	18	175.1	0	0	0	0	0	114.6	G303 P304 A308 T336	G303-G306 PolarHBondContact O-N 2.76Å; P304-G306 PolarHBondContact O-N 3.11Å; G306-A308 PolarHBondContact O-N 3.48Å; G306-T336 WeakPolarHBondContact O-CB 2.97Å; G306-T336 WeakPolarHBondContact O-CG2 3.23Å; G306-T336 PolarHBondContact O-OG1 2.83Å
307	R	90.4	Very high	91.8	Very high	129 Å²	129	29.5 Å²	29.5	49%	0.487	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.2	172.8	-96.1	-178.5	-89.8	171.8	-6.5	109.8	G303 P304 A305 Y334	G303-R307 WeakPolarHBondContact CA-O 3.33Å; G303-R307 PolarHBondContact N-O 2.97Å; P304-R307 PolarHBondContact O-N 2.9Å; A305-R307 VanDerWaalsContact C-N 3.33Å; A305-R307 PolarHBondContact O-N 2.74Å; R307-Y334 CarbonylContact C-O 3.59Å; R307-Y334 WeakPolarHBondContact CA-O 3.49Å
308	A	94.6	Very high	90.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140	173.1	0	0	0	0	0	110	L300 A301 G306 L333 Y334	L300-A308 HydrophobicContact CD1-CB 3.92Å; L300-A308 HydrophobicContact CD2-CB 4.23Å; L300-A308 HydrophobicContact CG-CB 4.19Å; A301-A308 CarbonylContact O-C 3.56Å; A301-A308 WeakPolarHBondContact O-CA 3.34Å; G306-A308 PolarHBondContact O-N 3.48Å; A308-L333 WeakPolarHBondContact O-CA 3.16Å; A308-Y334 PolarHBondContact N-O 3.34Å; A308-Y334 PolarHBondContact O-N 2.91Å
309	V	96.6	Very high	89.6	Confident	6 Å²	6	41 Å²	41	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	178.8	-171.1	0	0	0	0	107.7	L300 A301 L331 Y332 L333 L423 L447	L300-V309 WeakPolarHBondContact CA-O 3.16Å; A301-V309 PolarHBondContact N-O 2.89Å; A301-V309 PolarHBondContact O-N 2.77Å; V309-L331 HydrophobicContact CG1-CD2 3.85Å; V309-Y332 CarbonylContact C-O 3.54Å; V309-Y332 WeakPolarHBondContact CA-O 3.26Å; V309-L333 HydrophobicContact CB-CD2 4.19Å; V309-L333 HydrophobicContact CG1-CD2 3.9Å; V309-L333 HydrophobicContact CG2-CD2 3.7Å; V309-L423 HydrophobicContact CG1-CD2 3.99Å; V309-L447 HydrophobicContact CG1-CD2 4.48Å; V309-L447 HydrophobicContact CG2-CD1 3.94Å; V309-L447 HydrophobicContact CG2-CD2 4.06Å
310	L	97.6	Very high	88.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.9	174.5	178.9	155.1	0	0	0	108.8	Y245 P292 F298 S299 L300 L331 Y332 W341	Y245-L310 HydrophobicContact CD1-CD1 4.34Å; Y245-L310 HydrophobicContact CE1-CD1 3.74Å; P292-L310 HydrophobicContact CG-CD1 4.01Å; F298-L310 HydrophobicContact CB-CD1 4.42Å; F298-L310 HydrophobicContact CB-CD2 4.23Å; F298-L310 HydrophobicContact CB-CG 4.15Å; F298-L310 HydrophobicContact CD2-CD1 3.26Å; F298-L310 HydrophobicContact CD2-CD2 4.48Å; F298-L310 HydrophobicContact CD2-CG 3.6Å; F298-L310 HydrophobicContact CE2-CD1 3.45Å; F298-L310 VanDerWaalsContact CE2-CD1 3.45Å; F298-L310 HydrophobicContact CE2-CG 4.26Å; F298-L310 HydrophobicContact CG-CD1 3.84Å; F298-L310 HydrophobicContact CG-CD2 4.5Å; F298-L310 HydrophobicContact CG-CG 4.08Å; F298-L310 HydrophobicContact CZ-CD1 4.19Å; S299-L310 VanDerWaalsContact O-CA 3.29Å; S299-L310 WeakPolarHBondContact O-CA 3.38Å; L300-L310 HydrophobicContact CD1-CB 4Å; L310-L331 WeakPolarHBondContact O-CA 3.25Å; L310-Y332 HydrophobicContact CD2-CD2 4.29Å; L310-Y332 PolarHBondContact N-O 3.42Å; L310-Y332 PolarHBondContact O-N 3.4Å; L310-W341 HydrophobicContact CB-CH2 4.39Å; L310-W341 HydrophobicContact CB-CZ3 4.2Å; L310-W341 HydrophobicContact CD1-CH2 4.02Å; L310-W341 HydrophobicContact CD1-CZ3 4.38Å
311	F	98.1	Very high	87	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.1	174.4	177.8	-91.8	0	0	0	111.1	S299 N329 D330 L331 P408 R411 L425 W453	S299-F311 PolarHBondContact N-O 3.38Å; S299-F311 PolarHBondContact O-N 3.01Å; F311-N329 HydrophobicContact CE2-CB 4.46Å; F311-N329 WeakPolarHBondContact CE2-O 3.34Å; F311-N329 HydrophobicContact CZ-CB 4.16Å; F311-D330 WeakPolarHBondContact CA-O 3.35Å; F311-L331 HydrophobicContact CB-CD2 3.94Å; F311-L331 HydrophobicContact CD2-CD2 3.65Å; F311-L331 HydrophobicContact CD2-CG 4.04Å; F311-L331 HydrophobicContact CG-CD2 4.28Å; F311-P408 HydrophobicContact CE1-CB 4.47Å; F311-P408 HydrophobicContact CE2-CB 4.32Å; F311-P408 HydrophobicContact CE2-CG 4.27Å; F311-P408 HydrophobicContact CZ-CB 3.72Å; F311-P408 HydrophobicContact CZ-CG 4.14Å; F311-R411 HydrophobicContact CE1-CG 3.74Å; F311-L425 HydrophobicContact CD1-CD1 3.66Å; F311-L425 HydrophobicContact CD1-CD2 3.53Å; F311-L425 HydrophobicContact CD1-CG 4.25Å; F311-L425 HydrophobicContact CD2-CD2 4.35Å; F311-L425 HydrophobicContact CE1-CD1 4.23Å; F311-L425 HydrophobicContact CE1-CD2 3.32Å; F311-L425 HydrophobicContact CE1-CG 4.39Å; F311-L425 HydrophobicContact CE2-CD2 4.16Å; F311-L425 HydrophobicContact CG-CD1 4.22Å; F311-L425 HydrophobicContact CG-CD2 4.07Å; F311-L425 HydrophobicContact CZ-CD2 3.68Å; F311-W453 HydrophobicContact CD2-CH2 4.25Å; F311-W453 HydrophobicContact CD2-CZ2 4.05Å; F311-W453 HydrophobicContact CE2-CH2 4.37Å; F311-W453 AromaticContact CE2-CZ2 3.95Å; F311-W453 HydrophobicContact CE2-CZ2 3.95Å
312	G	97.6	Very high	85.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.			trans	63.4	-139.2	168	0	0	0	0	0	115.3	R295 F298 Y328 D330	R295-G312 VanDerWaalsContact CD-O 3.28Å; R295-G312 WeakPolarHBondContact CD-O 3.28Å; R295-G312 PolarHBondContact NH1-O 3.09Å; F298-G312 WeakPolarHBondContact CB-O 3.43Å; G312-Y328 WeakPolarHBondContact CA-O 3.37Å; G312-D330 PolarHBondContact N-O 2.93Å; G312-D330 VanDerWaalsContact N-O 3.13Å
313	G	97.2	Very high	85.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.324	C	S	.	.			trans	104.6	-179.7	-173.1	0	0	0	0	0	112.9	S296 Y328 R411	S296-G313 CarbonylContact O-C 3.59Å; S296-G313 WeakPolarHBondContact O-CA 3.33Å; G313-Y328 WeakPolarHBondContact O-CD2 3.16Å; G313-Y328 PolarHBondContact O-N 3.1Å; G313-R411 PolarHBondContact N-O 3.16Å
314	V	95.6	Very high	85	Confident	9 Å²	9	68.6 Å²	68.6	6%	0.055	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.4	-179.3	64.8	0	0	0	0	110.8	R295 S296 D316 D326 F327	R295-V314 CarbonylContact C-O 3.52Å; R295-V314 VanDerWaalsContact CA-O 3.24Å; R295-V314 WeakPolarHBondContact CA-O 3.36Å; R295-V314 WeakPolarHBondContact CB-O 3.46Å; S296-V314 PolarHBondContact N-O 2.88Å; S296-V314 PolarHBondContact O-N 3.35Å; V314-D316 WeakPolarHBondContact CG2-OD1 3.03Å; V314-D326 CarbonylContact C-O 3.54Å; V314-D326 WeakPolarHBondContact CA-O 2.91Å; V314-F327 HydrophobicContact CB-CD1 3.88Å; V314-F327 HydrophobicContact CB-CE1 3.8Å; V314-F327 HydrophobicContact CB-CG 4.42Å; V314-F327 HydrophobicContact CB-CZ 4.26Å; V314-F327 HydrophobicContact CG2-CD1 3.96Å; V314-F327 HydrophobicContact CG2-CD2 4.1Å; V314-F327 HydrophobicContact CG2-CE1 3.76Å; V314-F327 HydrophobicContact CG2-CE2 3.87Å; V314-F327 HydrophobicContact CG2-CG 4.12Å; V314-F327 HydrophobicContact CG2-CZ 3.7Å
315	C	94	Very high	85.5	Confident	19 Å²	19	66.8 Å²	66.8	13%	0.128	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.4	167.6	-176.9	0	0	0	0	108.4	P294 D326 Y328	P294-C315 WeakPolarHBondContact O-CB 3.35Å; C315-D326 HydrophobicContact CB-CB 4.34Å; C315-D326 PolarHBondContact N-O 2.96Å; C315-D326 PolarHBondContact O-N 2.87Å; C315-Y328 HydrophobicContact CB-CE2 3.78Å
316	D	88.4	Confident	86.2	Confident	50 Å²	50	66.7 Å²	66.7	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.3	179.2	-46.9	-41.6	0	0	0	109.5	V314 L323	V314-D316 WeakPolarHBondContact CG2-OD1 3.03Å; D316-L323 HydrophobicContact CB-CD1 3.94Å
317	E	81.4	Confident	86.9	Confident	112 Å²	112	67.8 Å²	67.8	52%	0.523	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.6	170.7	-59.6	-158.5	157.2	0	0	108.8	E324	E317-E324 PolarHBondContact N-O 3.13Å; E317-E324 PolarHBondContact O-N 3.33Å; E317-E324 VanDerWaalsContact O-N 3.16Å
318	E	75.3	Confident	87.2	Confident	111 Å²	111	64 Å²	64	52%	0.519	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.7	176.1	-79.5	172.7	-168.7	0	0	109.3	L323	E318-L323 HydrophobicContact CB-CD1 4.35Å; E318-L323 HydrophobicContact CG-CD1 3.35Å
319	E	71.9	Confident	87.3	Confident	144 Å²	144	66.7 Å²	66.7	67%	0.673	33%	0.332	S	S	*	.			trans	-96.4	169.8	162.7	-64.3	-164.9	160.5	0	0	110.6	E321 S322	E319-E321 PolarHBondContact O-N 2.88Å; E319-E321 VanDerWaalsContact O-N 3.08Å; E319-S322 PolarHBondContact N-O 2.99Å
320	E	67.3	Low	87.3	Confident	207 Å²	207	68.6 Å²	68.6	97%	0.967	34%	0.343	S	S	*	.	S	Bend	trans	-58	-26.5	-172.6	-95.4	-177.6	167.7	0	0	114.1
321	E	70	Confident	87.3	Confident	194 Å²	194	69.4 Å²	69.4	91%	0.907	35%	0.347	S	S	*	.	S	Bend	trans	-131.3	1	-176.5	-62.2	-174.2	168.5	0	0	114.1	E319	E319-E321 PolarHBondContact O-N 2.88Å; E319-E321 VanDerWaalsContact O-N 3.08Å
322	S	70.6	Confident	87.2	Confident	49 Å²	49	70.8 Å²	70.8	34%	0.343	35%	0.352	S	S	.	.			trans	-141.6	148.8	179.8	57.1	0	0	0	0	112.7	E319	E319-S322 PolarHBondContact N-O 2.99Å
323	L	79.6	Confident	87.1	Confident	111 Å²	111	72.3 Å²	72.3	58%	0.581	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.1	169.5	-178.5	72.5	0	0	0	107.1	D316 E318	D316-L323 HydrophobicContact CB-CD1 3.94Å; E318-L323 HydrophobicContact CB-CD1 4.35Å; E318-L323 HydrophobicContact CG-CD1 3.35Å
324	E	82.9	Confident	87.1	Confident	140 Å²	140	72.6 Å²	72.6	65%	0.654	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.4	175.9	-68.3	-171.6	-178.1	0	0	110.1	E317	E317-E324 PolarHBondContact N-O 3.13Å; E317-E324 PolarHBondContact O-N 3.33Å; E317-E324 VanDerWaalsContact O-N 3.16Å
325	G	87.6	Confident	87	Confident	22 Å²	22	73 Å²	73	23%	0.227	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.9	179.7	0	0	0	0	0	112.2	F327	G325-F327 WeakPolarHBondContact O-CD2 3.18Å; G325-F327 WeakPolarHBondContact O-CE2 3.29Å; G325-F327 PolarHBondContact O-N 3.33Å
326	D	92.7	Very high	86.8	Confident	82 Å²	82	72.9 Å²	72.9	44%	0.439	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	99.3	170.1	-86.3	-23.3	0	0	0	110.2	V314 C315 Y328	V314-D326 CarbonylContact C-O 3.54Å; V314-D326 WeakPolarHBondContact CA-O 2.91Å; C315-D326 HydrophobicContact CB-CB 4.34Å; C315-D326 PolarHBondContact N-O 2.96Å; C315-D326 PolarHBondContact O-N 2.87Å; D326-Y328 WeakPolarHBondContact O-CD2 3.39Å; D326-Y328 WeakPolarHBondContact O-CE2 3.43Å
327	F	95.6	Very high	86.7	Confident	35 Å²	35	75.6 Å²	75.6	15%	0.154	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.5	177.2	-67.6	-92.4	0	0	0	112.1	V314 G325 P410 M429 F430 E431	V314-F327 HydrophobicContact CB-CD1 3.88Å; V314-F327 HydrophobicContact CB-CE1 3.8Å; V314-F327 HydrophobicContact CB-CG 4.42Å; V314-F327 HydrophobicContact CB-CZ 4.26Å; V314-F327 HydrophobicContact CG2-CD1 3.96Å; V314-F327 HydrophobicContact CG2-CD2 4.1Å; V314-F327 HydrophobicContact CG2-CE1 3.76Å; V314-F327 HydrophobicContact CG2-CE2 3.87Å; V314-F327 HydrophobicContact CG2-CG 4.12Å; V314-F327 HydrophobicContact CG2-CZ 3.7Å; G325-F327 WeakPolarHBondContact O-CD2 3.18Å; G325-F327 WeakPolarHBondContact O-CE2 3.29Å; G325-F327 PolarHBondContact O-N 3.33Å; F327-P410 HydrophobicContact CB-CB 3.61Å; F327-P410 WeakPolarHBondContact O-CB 2.85Å; F327-M429 HydrophobicContact CE1-CE 3.55Å; F327-M429 HydrophobicContact CZ-CE 3.46Å; F327-M429 VanDerWaalsContact CZ-CE 3.46Å; F327-F430 HydrophobicContact CD1-CB 4.3Å; F327-F430 HydrophobicContact CG-CB 4.37Å; F327-E431 HydrophobicContact CE2-CB 3.82Å; F327-E431 HydrophobicContact CE2-CG 4.4Å; F327-E431 HydrophobicContact CZ-CB 4.09Å; F327-E431 HydrophobicContact CZ-CG 4.17Å
328	Y	97	Very high	87.2	Confident	51 Å²	51	77.3 Å²	77.3	20%	0.2	39%	0.385	C	S	.	.			trans	-117.3	152.8	179.3	-58.7	-88.2	0	0	0	112.1	P293 R295 G312 G313 C315 D326 P410 R411	P293-Y328 HydrophobicContact CG-CE1 4.19Å; R295-Y328 HydrophobicContact CB-CD2 4.3Å; R295-Y328 HydrophobicContact CB-CE2 4.1Å; R295-Y328 VanDerWaalsContact CZ-CD2 3.46Å; R295-Y328 VanDerWaalsContact NH2-CG 3.29Å; G312-Y328 WeakPolarHBondContact CA-O 3.37Å; G313-Y328 WeakPolarHBondContact O-CD2 3.16Å; G313-Y328 PolarHBondContact O-N 3.1Å; C315-Y328 HydrophobicContact CB-CE2 3.78Å; D326-Y328 WeakPolarHBondContact O-CD2 3.39Å; D326-Y328 WeakPolarHBondContact O-CE2 3.43Å; Y328-P410 WeakPolarHBondContact O-CA 3.27Å; Y328-R411 PolarHBondContact O-N 3.35Å; Y328-R411 VanDerWaalsContact O-N 3.09Å
329	N	96	Very high	88.1	Confident	56 Å²	56	74 Å²	74	30%	0.299	37%	0.372	S	S	.	.			trans	-127.3	13.5	171.1	67	-21.8	0	0	0	113.4	F311 P408 P410	F311-N329 HydrophobicContact CE2-CB 4.46Å; F311-N329 WeakPolarHBondContact CE2-O 3.34Å; F311-N329 HydrophobicContact CZ-CB 4.16Å; N329-P408 WeakPolarHBondContact CB-O 3.48Å; N329-P408 PolarHBondContact ND2-O 2.86Å; N329-P410 HydrophobicContact CB-CB 4.41Å; N329-P410 HydrophobicContact CB-CG 4.09Å
330	D	96.8	Very high	89.2	Confident	47 Å²	47	72.6 Å²	72.6	25%	0.251	36%	0.36	S	S	.	.			trans	-77.4	161.2	-179.1	56	12.4	0	0	0	112.1	R295 F311 G312 Y332	R295-D330 IonicContact CZ-OD1 3.34Å; R295-D330 IonicContact CZ-OD2 3.41Å; R295-D330 IonicContact NH1-OD1 3.41Å; R295-D330 PolarHBondContact NH1-OD1 2.86Å; R295-D330 IonicContact NH1-OD2 2.69Å; R295-D330 PolarHBondContact NH1-OD2 2.83Å; R295-D330 IonicContact NH2-OD1 3.99Å; R295-D330 IonicContact NH2-OD2 3.64Å; R295-D330 PolarHBondContact NH2-OD2 3.13Å; F311-D330 WeakPolarHBondContact CA-O 3.35Å; G312-D330 PolarHBondContact N-O 2.93Å; G312-D330 VanDerWaalsContact N-O 3.13Å; D330-Y332 HydrophobicContact CB-CE2 4.33Å; D330-Y332 WeakPolarHBondContact OD2-CE2 3.36Å
331	L	96.8	Very high	90.7	Very high	16 Å²	16	63 Å²	63	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.2	175.7	-75.7	166.4	0	0	0	110	V309 L310 F311 G344 L423 L445 M450 W453	V309-L331 HydrophobicContact CG1-CD2 3.85Å; L310-L331 WeakPolarHBondContact O-CA 3.25Å; F311-L331 HydrophobicContact CB-CD2 3.94Å; F311-L331 HydrophobicContact CD2-CD2 3.65Å; F311-L331 HydrophobicContact CD2-CG 4.04Å; F311-L331 HydrophobicContact CG-CD2 4.28Å; L331-G344 WeakPolarHBondContact O-CA 3.4Å; L331-G344 PolarHBondContact O-N 2.86Å; L331-L423 HydrophobicContact CD2-CD2 4.06Å; L331-L445 HydrophobicContact CD1-CD2 3.48Å; L331-L445 VanDerWaalsContact CD1-CD2 3.48Å; L331-M450 HydrophobicContact CD1-CE 4.5Å; L331-W453 HydrophobicContact CD1-CZ2 3.82Å; L331-W453 HydrophobicContact CD2-CZ2 4.26Å; L331-W453 HydrophobicContact CG-CZ2 4.25Å
332	Y	97.2	Very high	91.8	Very high	32 Å²	32	57 Å²	57	13%	0.125	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.2	168.4	-77	-99.1	0	0	0	110.9	S290 P292 V309 L310 D330 W341 F342	S290-Y332 WeakPolarHBondContact O-CD1 3.24Å; S290-Y332 WeakPolarHBondContact O-CE1 3.32Å; P292-Y332 HydrophobicContact CB-CD1 4.16Å; P292-Y332 HydrophobicContact CB-CD2 3.75Å; P292-Y332 HydrophobicContact CB-CE1 4.11Å; P292-Y332 HydrophobicContact CB-CE2 3.69Å; P292-Y332 HydrophobicContact CB-CG 3.98Å; P292-Y332 HydrophobicContact CG-CD1 4.14Å; P292-Y332 HydrophobicContact CG-CD2 4.2Å; P292-Y332 HydrophobicContact CG-CG 3.97Å; V309-Y332 CarbonylContact C-O 3.54Å; V309-Y332 WeakPolarHBondContact CA-O 3.26Å; L310-Y332 HydrophobicContact CD2-CD2 4.29Å; L310-Y332 PolarHBondContact N-O 3.42Å; L310-Y332 PolarHBondContact O-N 3.4Å; D330-Y332 HydrophobicContact CB-CE2 4.33Å; D330-Y332 WeakPolarHBondContact OD2-CE2 3.36Å; Y332-W341 HydrophobicContact CD1-CE3 4.47Å; Y332-F342 CarbonylContact C-O 3.47Å; Y332-F342 WeakPolarHBondContact CA-O 3.49Å
333	L	95.7	Very high	93	Very high	32 Å²	32	57.4 Å²	57.4	17%	0.168	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.4	176.8	-56.3	176.4	0	0	0	109	A308 V309 W341 F342	A308-L333 WeakPolarHBondContact O-CA 3.16Å; V309-L333 HydrophobicContact CB-CD2 4.19Å; V309-L333 HydrophobicContact CG1-CD2 3.9Å; V309-L333 HydrophobicContact CG2-CD2 3.7Å; L333-W341 CarbonylContact O-C 3.6Å; L333-W341 WeakPolarHBondContact O-CA 3.46Å; L333-F342 HydrophobicContact CB-CB 4.4Å; L333-F342 PolarHBondContact N-O 3.36Å; L333-F342 PolarHBondContact O-N 2.99Å
334	Y	96	Very high	93.6	Very high	6 Å²	6	52.4 Å²	52.4	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.9	173.6	-178.8	-117.3	0	0	0	110.4	I243 M266 P287 R307 A308 T336 N339 W341	I243-Y334 HydrophobicContact CD1-CE1 3.93Å; M266-Y334 HydrophobicContact CE-CD1 4.19Å; M266-Y334 HydrophobicContact CE-CD2 4.29Å; M266-Y334 HydrophobicContact CE-CE1 3.65Å; M266-Y334 HydrophobicContact CE-CE2 3.78Å; M266-Y334 HydrophobicContact CE-CG 4.49Å; M266-Y334 VanDerWaalsContact CE-CZ 3.43Å; M266-Y334 HydrophobicContact SD-CE2 4.4Å; P287-Y334 HydrophobicContact CB-CE2 3.97Å; R307-Y334 CarbonylContact C-O 3.59Å; R307-Y334 WeakPolarHBondContact CA-O 3.49Å; A308-Y334 PolarHBondContact N-O 3.34Å; A308-Y334 PolarHBondContact O-N 2.91Å; Y334-T336 HydrophobicContact CD1-CG2 3.64Å; Y334-T336 HydrophobicContact CE1-CG2 3.67Å; Y334-T336 PolarHBondContact O-N 2.74Å; Y334-N339 PolarHBondContact OH-OD1 3.48Å; Y334-W341 AromaticContact CD2-CD1 3.9Å; Y334-W341 AromaticContact CD2-CD2 3.74Å; Y334-W341 HydrophobicContact CD2-CD2 3.74Å; Y334-W341 AromaticContact CD2-CE2 3.59Å; Y334-W341 HydrophobicContact CD2-CE3 4.37Å; Y334-W341 AromaticContact CD2-CG 3.94Å; Y334-W341 HydrophobicContact CD2-CG 3.94Å; Y334-W341 HydrophobicContact CD2-CZ2 4.11Å; Y334-W341 AromaticContact CD2-NE1 3.66Å; Y334-W341 HydrophobicContact CG-CD2 4.2Å; Y334-W341 AromaticContact CG-CE2 4Å; Y334-W341 HydrophobicContact CG-CE3 4.44Å; Y334-W341 HydrophobicContact CG-CH2 4.33Å; Y334-W341 HydrophobicContact CG-CZ2 4.06Å
335	D	93.5	Very high	94.1	Very high	18 Å²	18	52.3 Å²	52.3	10%	0.096	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	101.9	170.7	-172.1	-35.4	0	0	0	108.2	V337 K338 N339 R340 F342	D335-V337 PolarHBondContact O-N 3.03Å; D335-V337 WeakPolarHBondContact OD1-CB 3.15Å; D335-V337 PolarHBondContact OD1-N 2.73Å; D335-V337 VanDerWaalsContact OD1-N 3.08Å; D335-K338 HydrophobicContact CB-CB 4.18Å; D335-K338 PolarHBondContact O-N 3.13Å; D335-K338 PolarHBondContact OD1-N 2.92Å; D335-K338 VanDerWaalsContact OD2-CD 3.25Å; D335-K338 WeakPolarHBondContact OD2-CD 3.33Å; D335-K338 WeakPolarHBondContact OD2-CE 3.44Å; D335-K338 WeakPolarHBondContact OD2-CG 3.39Å; D335-K338 IonicContact OD2-NZ 3.53Å; D335-K338 PolarHBondContact OD2-NZ 3.34Å; D335-N339 WeakPolarHBondContact O-CA 3.44Å; D335-N339 PolarHBondContact O-N 2.93Å; D335-R340 PolarHBondContact N-O 3.45Å; D335-R340 PolarHBondContact O-N 3.29Å; D335-F342 HydrophobicContact CB-CE2 4.05Å
336	T	89.6	Confident	94.3	Very high	15 Å²	15	53.9 Å²	53.9	9%	0.092	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.1	-177.9	58.2	0	0	0	0	113	T234 P237 I243 G306 Y334	T234-T336 HydrophobicContact CG2-CG2 4.36Å; P237-T336 WeakPolarHBondContact CD-OG1 3.25Å; P237-T336 VanDerWaalsContact CG-OG1 3.3Å; P237-T336 WeakPolarHBondContact CG-OG1 3.47Å; I243-T336 HydrophobicContact CD1-CG2 4.16Å; G306-T336 WeakPolarHBondContact O-CB 2.97Å; G306-T336 WeakPolarHBondContact O-CG2 3.23Å; G306-T336 PolarHBondContact O-OG1 2.83Å; Y334-T336 HydrophobicContact CD1-CG2 3.64Å; Y334-T336 HydrophobicContact CE1-CG2 3.67Å; Y334-T336 PolarHBondContact O-N 2.74Å
337	V	88.2	Confident	94	Very high	108 Å²	108	58.3 Å²	58.3	66%	0.655	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-43.2	179.5	-179.2	0	0	0	0	110.2	P237 D335	P237-V337 HydrophobicContact CG-CG2 4.02Å; D335-V337 PolarHBondContact O-N 3.03Å; D335-V337 WeakPolarHBondContact OD1-CB 3.15Å; D335-V337 PolarHBondContact OD1-N 2.73Å; D335-V337 VanDerWaalsContact OD1-N 3.08Å
338	K	91.8	Very high	92.7	Very high	147 Å²	147	59.3 Å²	59.3	64%	0.639	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5	179.9	-62.1	-179.1	-166.7	146.4	0	113.8	D335 R340	D335-K338 HydrophobicContact CB-CB 4.18Å; D335-K338 PolarHBondContact O-N 3.13Å; D335-K338 PolarHBondContact OD1-N 2.92Å; D335-K338 VanDerWaalsContact OD2-CD 3.25Å; D335-K338 WeakPolarHBondContact OD2-CD 3.33Å; D335-K338 WeakPolarHBondContact OD2-CE 3.44Å; D335-K338 WeakPolarHBondContact OD2-CG 3.39Å; D335-K338 IonicContact OD2-NZ 3.53Å; D335-K338 PolarHBondContact OD2-NZ 3.34Å; K338-R340 HydrophobicContact CB-CB 4.3Å; K338-R340 PolarHBondContact O-N 3.1Å
339	N	93.6	Very high	90.3	Very high	43 Å²	43	62.5 Å²	62.5	23%	0.23	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	57.7	-174.1	-178.1	33.4	0	0	0	110.8	S286 P287 S288 Y334 D335	S286-N339 PolarHBondContact O-ND2 3.17Å; P287-N339 VanDerWaalsContact CA-O 3.28Å; P287-N339 WeakPolarHBondContact CA-O 3.47Å; P287-N339 VanDerWaalsContact CA-OD1 3.32Å; P287-N339 WeakPolarHBondContact CA-OD1 3.24Å; P287-N339 WeakPolarHBondContact CB-OD1 3.44Å; S288-N339 PolarHBondContact N-O 2.82Å; S288-N339 PolarHBondContact OG-O 3Å; Y334-N339 PolarHBondContact OH-OD1 3.48Å; D335-N339 WeakPolarHBondContact O-CA 3.44Å; D335-N339 PolarHBondContact O-N 2.93Å
340	R	95.9	Very high	87.5	Confident	113 Å²	113	69.8 Å²	69.8	43%	0.426	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	134.1	-172.2	-175.2	167.6	174	-175.8	2.4	113	S288 D335 K338 F342	S288-R340 CarbonylContact O-C 3.59Å; S288-R340 WeakPolarHBondContact O-CA 3.44Å; S288-R340 WeakPolarHBondContact O-CG 3.4Å; S288-R340 WeakPolarHBondContact OG-CB 3.46Å; S288-R340 WeakPolarHBondContact OG-CD 3.29Å; S288-R340 WeakPolarHBondContact OG-CG 3.44Å; D335-R340 PolarHBondContact N-O 3.45Å; D335-R340 PolarHBondContact O-N 3.29Å; K338-R340 HydrophobicContact CB-CB 4.3Å; K338-R340 PolarHBondContact O-N 3.1Å; R340-F342 HydrophobicContact CB-CE2 3.94Å; R340-F342 HydrophobicContact CB-CZ 4.15Å; R340-F342 HydrophobicContact CG-CD2 4.36Å; R340-F342 HydrophobicContact CG-CE1 4.13Å; R340-F342 HydrophobicContact CG-CE2 3.64Å; R340-F342 HydrophobicContact CG-CZ 3.52Å; R340-F342 VanDerWaalsContact NE-CE1 3.32Å
341	W	96.8	Very high	84.8	Confident	5 Å²	5	72.4 Å²	72.4	2%	0.019	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.3	173.5	-74	103.7	0	0	0	112.9	Y245 M266 S288 G289 S290 K291 P292 L310 Y332 L333 Y334	Y245-W341 HydrophobicContact CD1-CH2 4.05Å; Y245-W341 AromaticContact CD1-CZ2 3.78Å; Y245-W341 HydrophobicContact CD1-CZ2 3.78Å; Y245-W341 AromaticContact CE1-CH2 3.87Å; Y245-W341 HydrophobicContact CE1-CH2 3.87Å; Y245-W341 AromaticContact CE1-CZ2 3.66Å; Y245-W341 HydrophobicContact CE1-CZ2 3.66Å; Y245-W341 HydrophobicContact CG-CZ2 4.32Å; M266-W341 HydrophobicContact CE-CZ2 4.25Å; M266-W341 HydrophobicContact SD-CZ2 4.14Å; M266-W341 PolarHBondContact SD-NE1 3.21Å; S288-W341 PolarHBondContact O-N 3.22Å; G289-W341 WeakPolarHBondContact CA-O 3.39Å; S290-W341 PolarHBondContact N-O 2.99Å; S290-W341 VanDerWaalsContact O-CB 3.27Å; S290-W341 WeakPolarHBondContact O-CB 3.44Å; K291-W341 HydrophobicContact CB-CG 4.34Å; P292-W341 HydrophobicContact CG-CH2 4.44Å; P292-W341 HydrophobicContact CG-CZ3 4.33Å; L310-W341 HydrophobicContact CB-CH2 4.39Å; L310-W341 HydrophobicContact CB-CZ3 4.2Å; L310-W341 HydrophobicContact CD1-CH2 4.02Å; L310-W341 HydrophobicContact CD1-CZ3 4.38Å; Y332-W341 HydrophobicContact CD1-CE3 4.47Å; L333-W341 CarbonylContact O-C 3.6Å; L333-W341 WeakPolarHBondContact O-CA 3.46Å; Y334-W341 AromaticContact CD2-CD1 3.9Å; Y334-W341 AromaticContact CD2-CD2 3.74Å; Y334-W341 HydrophobicContact CD2-CD2 3.74Å; Y334-W341 AromaticContact CD2-CE2 3.59Å; Y334-W341 HydrophobicContact CD2-CE3 4.37Å; Y334-W341 AromaticContact CD2-CG 3.94Å; Y334-W341 HydrophobicContact CD2-CG 3.94Å; Y334-W341 HydrophobicContact CD2-CZ2 4.11Å; Y334-W341 AromaticContact CD2-NE1 3.66Å; Y334-W341 HydrophobicContact CG-CD2 4.2Å; Y334-W341 AromaticContact CG-CE2 4Å; Y334-W341 HydrophobicContact CG-CE3 4.44Å; Y334-W341 HydrophobicContact CG-CH2 4.33Å; Y334-W341 HydrophobicContact CG-CZ2 4.06Å
342	F	94.9	Very high	81.7	Confident	68 Å²	68	80.2 Å²	80.2	30%	0.298	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.6	174.9	-54.8	-92	0	0	0	110	Y332 L333 D335 R340	Y332-F342 CarbonylContact C-O 3.47Å; Y332-F342 WeakPolarHBondContact CA-O 3.49Å; L333-F342 HydrophobicContact CB-CB 4.4Å; L333-F342 PolarHBondContact N-O 3.36Å; L333-F342 PolarHBondContact O-N 2.99Å; D335-F342 HydrophobicContact CB-CE2 4.05Å; R340-F342 HydrophobicContact CB-CE2 3.94Å; R340-F342 HydrophobicContact CB-CZ 4.15Å; R340-F342 HydrophobicContact CG-CD2 4.36Å; R340-F342 HydrophobicContact CG-CE1 4.13Å; R340-F342 HydrophobicContact CG-CE2 3.64Å; R340-F342 HydrophobicContact CG-CZ 3.52Å; R340-F342 VanDerWaalsContact NE-CE1 3.32Å
343	P	95.8	Very high	78.6	Confident	58 Å²	58	88.5 Å²	88.5	38%	0.377	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.6	166.9	-17.1	33.2	0	0	0	109.9	L345	P343-L345 VanDerWaalsContact C-N 3.26Å; P343-L345 HydrophobicContact CB-CD2 4.43Å; P343-L345 HydrophobicContact CB-CG 4.14Å; P343-L345 PolarHBondContact O-N 2.81Å; P343-L345 VanDerWaalsContact O-N 3.11Å
344	G	92.4	Very high	75.7	Confident	6 Å²	6	96.2 Å²	96.2	6%	0.062	48%	0.481	C	S	.	.			trans	-84.7	57.8	179.1	0	0	0	0	0	112.4	L331	L331-G344 WeakPolarHBondContact O-CA 3.4Å; L331-G344 PolarHBondContact O-N 2.86Å
345	L	92.8	Very high	72.4	Confident	139 Å²	139	105 Å²	105	73%	0.728	52%	0.519	S	S	*	.			trans	-70	132.8	-177.5	-59.1	176	0	0	0	111.5	P343	P343-L345 VanDerWaalsContact C-N 3.26Å; P343-L345 HydrophobicContact CB-CD2 4.43Å; P343-L345 HydrophobicContact CB-CG 4.14Å; P343-L345 PolarHBondContact O-N 2.81Å; P343-L345 VanDerWaalsContact O-N 3.11Å
346	L	91.8	Very high	69.4	Low	55 Å²	55	110 Å²	110	29%	0.288	55%	0.552	S	S	.	*			trans	-65.6	135.9	170.2	-60.5	-178.7	0	0	0	109.9	G348 L445 M450	L346-G348 PolarHBondContact O-N 3.35Å; L346-L445 HydrophobicContact CD2-CD1 3.71Å; L346-L445 HydrophobicContact CD2-CD2 4.09Å; L346-M450 CarbonylContact C-O 3.57Å; L346-M450 VanDerWaalsContact CA-O 3.3Å; L346-M450 WeakPolarHBondContact CA-O 3.24Å; L346-M450 HydrophobicContact CD2-CE 4.42Å
347	R	85.9	Confident	66.8	Low	174 Å²	174	113.9 Å²	113.9	66%	0.657	59%	0.586	S	S	*	*			trans	-72.4	79.1	169	-60	-175.8	-176.3	164.3	1.1	106.7	K449 M450	R347-K449 WeakPolarHBondContact CD-O 3.31Å; R347-M450 HydrophobicContact CG-CB 4.47Å; R347-M450 PolarHBondContact N-O 3.07Å
348	G	68.1	Low	64.1	Low	56 Å²	56	120.3 Å²	120.3	58%	0.577	60%	0.599	S	S	*	*			trans	-45.4	145.6	-178.4	0	0	0	0	0	111.8	L346 K350	L346-G348 PolarHBondContact O-N 3.35Å; G348-K350 PolarHBondContact O-N 2.66Å; G348-K350 VanDerWaalsContact O-N 3.14Å
349	T	46.3	Very low	61.4	Low	119 Å²	119	115.8 Å²	115.8	73%	0.73	59%	0.594	S	S	*	*			trans	-51.6	126.4	166.7	46.1	0	0	0	0	107	S351	T349-S351 PolarHBondContact O-N 2.97Å
350	K	37.6	Very low	58.5	Low	208 Å²	208	118.2 Å²	118.2	90%	0.904	61%	0.612	S	S	*	*			trans	-62.4	86.6	174.1	-75.1	-179.7	178.2	175.7	0	107.6	G348 E352	G348-K350 PolarHBondContact O-N 2.66Å; G348-K350 VanDerWaalsContact O-N 3.14Å; K350-E352 PolarHBondContact O-N 3.16Å
351	S	40.1	Very low	55.7	Low	102 Å²	102	117.6 Å²	117.6	71%	0.713	62%	0.621	S	S	*	*			trans	-63.1	122.4	152.9	62	0	0	0	0	105	T349 K353	T349-S351 PolarHBondContact O-N 2.97Å; S351-K353 PolarHBondContact O-N 2.9Å
352	E	32.8	Very low	52.9	Low	180 Å²	180	123.6 Å²	123.6	84%	0.841	65%	0.649	S	S	*	*			trans	-48.7	118.9	174.2	-71.1	-169.9	144	0	0	107.8	K350 K354	K350-E352 PolarHBondContact O-N 3.16Å; E352-K354 PolarHBondContact O-N 3.11Å
353	K	31.9	Very low	50.3	Low	207 Å²	207	123.2 Å²	123.2	90%	0.9	65%	0.652	S	S	*	*			trans	-59.8	90.3	173.6	-75.6	-177	175.7	-178.8	0	108.1	S351 K355	S351-K353 PolarHBondContact O-N 2.9Å; K353-K355 PolarHBondContact O-N 2.76Å
354	K	33.4	Very low	47.7	Very low	194 Å²	194	125.2 Å²	125.2	84%	0.843	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.2	118.1	156.1	-85.5	-175.5	176.7	175.9	0	105.8	E352	E352-K354 PolarHBondContact O-N 3.11Å
355	K	27.8	Very low	45.2	Very low	190 Å²	190	131 Å²	131	83%	0.826	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-47.2	136.5	172.2	-73.4	179.3	176	177.4	0	108.4	K353 A357	K353-K355 PolarHBondContact O-N 2.76Å; K355-A357 PolarHBondContact O-N 2.89Å; K355-A357 VanDerWaalsContact O-N 3.14Å
356	P	29.3	Very low	42.6	Very low	122 Å²	122	131 Å²	131	79%	0.792	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-61.3	124.3	177.3	25.6	-30.7	0	0	0	108	R358	P356-R358 PolarHBondContact O-N 3.44Å
357	A	34.8	Very low	40.4	Very low	98 Å²	98	131.9 Å²	131.9	81%	0.81	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.3	125.1	165.1	0	0	0	0	0	107	K355 G359	K355-A357 PolarHBondContact O-N 2.89Å; K355-A357 VanDerWaalsContact O-N 3.14Å; A357-G359 PolarHBondContact O-N 2.63Å; A357-G359 VanDerWaalsContact O-N 3.11Å
358	R	32.7	Very low	38.4	Very low	242 Å²	242	128 Å²	128	91%	0.913	68%	0.682	S	S	*	*			trans	-60.6	114.5	173.9	-80.3	178.1	172.1	173.7	-4.5	108.1	P356	P356-R358 PolarHBondContact O-N 3.44Å
359	G	35.3	Very low	37.5	Very low	52 Å²	52	127.9 Å²	127.9	54%	0.536	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-65.4	164.3	164.3	0	0	0	0	0	111.2	A357 T361	A357-G359 PolarHBondContact O-N 2.63Å; A357-G359 VanDerWaalsContact O-N 3.11Å; G359-T361 PolarHBondContact O-N 3.13Å
360	P	33	Very low	37.6	Very low	95 Å²	95	132.6 Å²	132.6	62%	0.617	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-57.4	133.7	-179.9	24.4	-31.8	0	0	0	109.9	V380	P360-V380 HydrophobicContact CB-CG1 4.42Å
361	T	36.3	Very low	38.2	Very low	100 Å²	100	128.8 Å²	128.8	61%	0.613	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-86.3	117.9	179.6	-45.4	0	0	0	0	108.2	G359	G359-T361 PolarHBondContact O-N 3.13Å
362	E	37	Very low	38.5	Very low	130 Å²	130	126.4 Å²	126.4	61%	0.607	67%	0.665	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.5	126.2	172	-64.2	-173	170.5	0	0	109.4
363	V	40.6	Very low	39.1	Very low	60 Å²	60	121.2 Å²	121.2	36%	0.364	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	116.9	173	-177.2	0	0	0	0	107.8	K365 E379	V363-K365 HydrophobicContact CG1-CG 4.36Å; V363-E379 PolarHBondContact N-O 2.92Å; V363-E379 PolarHBondContact O-N 2.79Å
364	I	41.3	Very low	39.5	Very low	101 Å²	101	115.1 Å²	115.1	52%	0.518	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	120	175	-58.5	174.1	0	0	0	107.3	T376	I364-T376 HydrophobicContact CG2-CG2 3.34Å
365	K	40.5	Very low	39.6	Very low	126 Å²	126	111.3 Å²	111.3	55%	0.548	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114	127.8	170.9	-77.2	179.6	-179.1	166.5	0	109.7	V363 I377	V363-K365 HydrophobicContact CG1-CG 4.36Å; K365-I377 PolarHBondContact N-O 2.86Å; K365-I377 VanDerWaalsContact N-O 3.16Å; K365-I377 PolarHBondContact O-N 3.16Å
366	E	38.8	Very low	40	Very low	141 Å²	141	106.1 Å²	106.1	66%	0.659	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.3	125.9	168.5	-67.6	-176.5	161.8	0	0	108.9	V374 T376	E366-V374 HydrophobicContact CB-CG1 4.1Å; E366-V374 HydrophobicContact CG-CG1 4.4Å; E366-T376 HydrophobicContact CG-CG2 4.32Å
367	V	45.4	Very low	40.7	Very low	72 Å²	72	105 Å²	105	44%	0.436	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.5	121.8	176.7	-176.4	0	0	0	0	107.7	M375 I377	V367-M375 PolarHBondContact N-O 2.61Å; V367-M375 PolarHBondContact O-N 2.92Å; V367-I377 HydrophobicContact CG2-CD1 4.32Å
368	V	43.6	Very low	40.9	Very low	94 Å²	94	107.7 Å²	107.7	57%	0.57	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.3	121.6	174.1	-168.7	0	0	0	0	107.9	V374	V368-V374 HydrophobicContact CG2-CG2 4.06Å
369	T	48	Very low	41	Very low	53 Å²	53	101.4 Å²	101.4	33%	0.325	56%	0.557	S	S	.	*			trans	-77.7	161.6	175.2	54.1	0	0	0	0	110.7	D371 G372 T373 M375	T369-D371 PolarHBondContact O-N 2.87Å; T369-D371 PolarHBondContact OG1-OD1 2.92Å; T369-G372 PolarHBondContact O-N 2.94Å; T369-T373 PolarHBondContact N-O 3.03Å; T369-T373 WeakPolarHBondContact OG1-CB 3.48Å; T369-T373 PolarHBondContact OG1-O 2.84Å; T369-M375 HydrophobicContact CG2-SD 4.48Å
370	E	50.3	Low	41.2	Very low	218 Å²	218	103 Å²	103	100%	1.019	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-13.1	-175.5	-72.4	-177.4	158.2	0	0	114.3
371	D	49.4	Very low	41.4	Very low	127 Å²	127	103.3 Å²	103.3	68%	0.679	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	4	173.9	68.9	17.3	0	0	0	114.4	T369 T373	T369-D371 PolarHBondContact O-N 2.87Å; T369-D371 PolarHBondContact OG1-OD1 2.92Å; D371-T373 VanDerWaalsContact OD1-CB 3.25Å; D371-T373 WeakPolarHBondContact OD1-CB 3.38Å; D371-T373 PolarHBondContact OD1-N 2.9Å; D371-T373 PolarHBondContact OD1-OG1 2.9Å
372	G	46.3	Very low	41.2	Very low	53 Å²	53	103.8 Å²	103.8	55%	0.546	56%	0.556	S	S	.	*	S	Bend	trans	86.8	3.3	178.7	0	0	0	0	0	114.7	T369 V374	T369-G372 PolarHBondContact O-N 2.94Å; G372-V374 PolarHBondContact O-N 3.02Å
373	T	45.6	Very low	41.2	Very low	70 Å²	70	101.2 Å²	101.2	43%	0.429	57%	0.565	S	S	.	*			trans	-77.9	121.9	175.3	-48.3	0	0	0	0	110.5	T369 D371	T369-T373 PolarHBondContact N-O 3.03Å; T369-T373 WeakPolarHBondContact OG1-CB 3.48Å; T369-T373 PolarHBondContact OG1-O 2.84Å; D371-T373 VanDerWaalsContact OD1-CB 3.25Å; D371-T373 WeakPolarHBondContact OD1-CB 3.38Å; D371-T373 PolarHBondContact OD1-N 2.9Å; D371-T373 PolarHBondContact OD1-OG1 2.9Å
374	V	39.3	Very low	40.7	Very low	80 Å²	80	107.1 Å²	107.1	49%	0.485	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.6	116.2	174	-172.1	0	0	0	0	109.1	E366 V368 G372	E366-V374 HydrophobicContact CB-CG1 4.1Å; E366-V374 HydrophobicContact CG-CG1 4.4Å; V368-V374 HydrophobicContact CG2-CG2 4.06Å; G372-V374 PolarHBondContact O-N 3.02Å
375	M	35.4	Very low	40.2	Very low	113 Å²	113	110.1 Å²	110.1	56%	0.557	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.2	129.5	173.8	-73.5	-169.1	155.5	0	0	110.7	V367 T369	V367-M375 PolarHBondContact N-O 2.61Å; V367-M375 PolarHBondContact O-N 2.92Å; T369-M375 HydrophobicContact CG2-SD 4.48Å
376	T	37.5	Very low	39.6	Very low	82 Å²	82	109.3 Å²	109.3	50%	0.503	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	112.4	177.1	-43.6	0	0	0	0	109.9	I364 E366	I364-T376 HydrophobicContact CG2-CG2 3.34Å; E366-T376 HydrophobicContact CG-CG2 4.32Å
377	I	43.2	Very low	39.2	Very low	97 Å²	97	107 Å²	107	50%	0.497	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.8	121.8	178.1	-58	175.7	0	0	0	108.7	K365 V367	K365-I377 PolarHBondContact N-O 2.86Å; K365-I377 VanDerWaalsContact N-O 3.16Å; K365-I377 PolarHBondContact O-N 3.16Å; V367-I377 HydrophobicContact CG2-CD1 4.32Å
378	K	39.6	Very low	38.3	Very low	156 Å²	156	108.6 Å²	108.6	68%	0.678	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.1	114.1	173.1	-72.1	-173.8	177.3	-174.3	0	109.5
379	E	35.1	Very low	37.6	Very low	110 Å²	110	111.9 Å²	111.9	51%	0.514	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	176.8	-162.8	176.5	-172.2	0	0	109.7	V363	V363-E379 PolarHBondContact N-O 2.92Å; V363-E379 PolarHBondContact O-N 2.79Å
380	V	38.4	Very low	36.7	Very low	86 Å²	86	112.9 Å²	112.9	52%	0.521	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	114.4	178.2	-178.2	0	0	0	0	108.3	P360 P382	P360-V380 HydrophobicContact CB-CG1 4.42Å; V380-P382 WeakPolarHBondContact O-CD 3.13Å
381	I	38.7	Very low	35.8	Very low	100 Å²	100	111.6 Å²	111.6	51%	0.513	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-89.2	117.2	178.9	-55.9	174.9	0	0	0	109.1
382	P	31.7	Very low	34.6	Very low	110 Å²	110	113.5 Å²	113.5	71%	0.714	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-74.6	134.9	175.3	-11	27.2	0	0	0	111.2	V380	V380-P382 WeakPolarHBondContact O-CD 3.13Å
383	G	35.9	Very low	33.9	Very low	76 Å²	76	118.6 Å²	118.6	78%	0.784	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69	130.2	171.4	0	0	0	0	0	111.7	N385	G383-N385 PolarHBondContact O-N 2.81Å
384	Q	29.7	Very low	33	Very low	184 Å²	184	121.6 Å²	121.6	86%	0.86	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-66	123.5	176.5	-77.7	176	-24.4	0	0	111.7
385	N	31.4	Very low	32.5	Very low	165 Å²	165	126.2 Å²	126.2	88%	0.882	72%	0.716	S	S	*	*				-178.5	110.7	126	-89.2	-18.7	0	0	0	110	G383	G383-N385 PolarHBondContact O-N 2.81Å
386	A	28.8	Very low	32	Very low	108 Å²	108	132.2 Å²	132.2	89%	0.893	73%	0.733	S	S	*	*			trans	-130.8	121.5	165.9	0	0	0	0	0	109.2
387	A	29	Very low	31.4	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	75%	0.745	S	S	*	*			trans	-168	98.7	154.1	0	0	0	0	0	106
388	S	27.7	Very low	30.9	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	76%	0.759	S	S	*	*				91.4	99.8	92.3	69.8	0	0	0	0	112.4
389	D	29.4	Very low	30.3	Very low	163 Å²	163	129.3 Å²	129.3	87%	0.872	76%	0.761	S	S	*	*				177.2	134.5	120.6	-95.7	-14.8	0	0	0	112.7
390	G	27.5	Very low	30.2	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	78%	0.777	S	S	*	*			trans	65.4	113.4	133	0	0	0	0	0	119.8	K392	G390-K392 PolarHBondContact O-N 3.04Å
391	E	31.8	Very low	30	Very low	192 Å²	192	130 Å²	130	90%	0.897	79%	0.787	S	S	*	*			trans	-41.9	127.5	170	-70.8	171.5	128.1	0	0	115.2
392	K	25.3	Very low	30	Very low	166 Å²	166	130.4 Å²	130.4	72%	0.722	80%	0.799	S	S	*	*			trans	-146.3	109.3	143.5	-141.8	-173.7	178.2	-146.2	0	108.7	G390 E394	G390-K392 PolarHBondContact O-N 3.04Å; K392-E394 IonicContact NZ-OE1 2.81Å; K392-E394 PolarHBondContact NZ-OE1 3.08Å; K392-E394 PolarHBondContact O-N 2.92Å
393	I	30.7	Very low	30.5	Very low	161 Å²	161	129 Å²	129	83%	0.826	80%	0.797	S	S	*	*			trans	-71.3	97	170.2	-60.9	170.8	0	0	0	106.7
394	E	26.2	Very low	31.4	Very low	132 Å²	132	131.3 Å²	131.3	62%	0.617	80%	0.798	S	S	*	*			trans	-115.4	120.7	157.9	-83.2	178.4	-164.6	0	0	107	K392 R396	K392-E394 IonicContact NZ-OE1 2.81Å; K392-E394 PolarHBondContact NZ-OE1 3.08Å; K392-E394 PolarHBondContact O-N 2.92Å; E394-R396 PolarHBondContact O-N 2.88Å
395	L	29.1	Very low	33	Very low	177 Å²	177	126 Å²	126	93%	0.927	78%	0.778	S	S	*	*			trans	-51.4	102.8	171.2	-83.6	116.2	0	0	0	109	S397	L395-S397 PolarHBondContact O-N 3.16Å
396	R	24.9	Very low	35.5	Very low	240 Å²	240	121.7 Å²	121.7	91%	0.906	76%	0.759	S	S	*	*			trans	-77.6	107.8	168.9	-73.5	-172.3	171.6	-166	-1.9	107.7	E394 A398	E394-R396 PolarHBondContact O-N 2.88Å; R396-A398 PolarHBondContact O-N 2.81Å
397	S	26.2	Very low	38.4	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	74%	0.741	S	S	*	*			trans	-47.5	134	163.3	65.3	0	0	0	0	109	L395 G399	L395-S397 PolarHBondContact O-N 3.16Å; S397-G399 PolarHBondContact O-N 2.82Å; S397-G399 VanDerWaalsContact O-N 3.12Å
398	A	31.5	Very low	41.5	Very low	95 Å²	95	117.3 Å²	117.3	79%	0.785	70%	0.704	S	S	*	*			trans	-41.5	122.9	167.2	0	0	0	0	0	109.2	R396 S400	R396-A398 PolarHBondContact O-N 2.81Å; A398-S400 PolarHBondContact O-N 2.85Å
399	G	27	Very low	44.6	Very low	71 Å²	71	114.2 Å²	114.2	73%	0.732	68%	0.682	S	S	*	*			trans	-51.8	134.3	176.4	0	0	0	0	0	109.1	S397 A401	S397-G399 PolarHBondContact O-N 2.82Å; S397-G399 VanDerWaalsContact O-N 3.12Å; G399-A401 VanDerWaalsContact C-N 3.31Å; G399-A401 PolarHBondContact O-N 2.94Å
400	S	33.2	Very low	47.8	Very low	120 Å²	120	109 Å²	109	84%	0.839	66%	0.657	S	S	*	*			trans	-57.9	95.5	175.5	65.3	0	0	0	0	109	A398 S402	A398-S400 PolarHBondContact O-N 2.85Å; S400-S402 PolarHBondContact O-N 3.15Å
401	A	34.3	Very low	51	Low	90 Å²	90	105.5 Å²	105.5	74%	0.744	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-54.2	121.4	149.1	0	0	0	0	0	105	G399 A403	G399-A401 VanDerWaalsContact C-N 3.31Å; G399-A401 PolarHBondContact O-N 2.94Å; A401-A403 PolarHBondContact O-N 3.2Å
402	S	39.7	Very low	54.1	Low	109 Å²	109	96.7 Å²	96.7	76%	0.762	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-52.2	117	167.9	52.5	0	0	0	0	106.1	S400	S400-S402 PolarHBondContact O-N 3.15Å
403	A	41.4	Very low	57.6	Low	81 Å²	81	90.1 Å²	90.1	67%	0.669	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-49.4	135.9	176.5	0	0	0	0	0	108.3	A401 T405	A401-A403 PolarHBondContact O-N 3.2Å; A403-T405 PolarHBondContact O-N 3.25Å
404	P	54.9	Low	60.7	Low	123 Å²	123	82.9 Å²	82.9	80%	0.799	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-53.4	128.8	175.4	20.4	-29	0	0	0	108.1
405	T	63.4	Low	64.2	Low	72 Å²	72	77 Å²	77	44%	0.442	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-57.6	129.6	172.6	42	0	0	0	0	107.7	A403 E407	A403-T405 PolarHBondContact O-N 3.25Å; T405-E407 PolarHBondContact O-N 3.16Å
406	P	82.9	Confident	67.4	Low	75 Å²	75	69.4 Å²	69.4	49%	0.487	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-61.2	123.8	-175.3	24.6	-33.2	0	0	0	109.4	W453 V455	P406-W453 WeakPolarHBondContact O-CB 3.17Å; P406-V455 HydrophobicContact CB-CG2 3.44Å; P406-V455 VanDerWaalsContact CB-CG2 3.44Å; P406-V455 HydrophobicContact CG-CG2 3.49Å; P406-V455 VanDerWaalsContact CG-CG2 3.49Å
407	E	90.3	Very high	70.9	Confident	110 Å²	110	58.9 Å²	58.9	51%	0.514	42%	0.418	S	S	.	.			trans	-128.8	152	179.1	65.6	-179.4	-174.3	0	0	109.8	T405 C409	T405-E407 PolarHBondContact O-N 3.16Å; E407-C409 PolarHBondContact O-N 2.98Å
408	P	94.1	Very high	74.3	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-63.8	135	177.7	-12.7	24.4	0	0	0	110.6	F311 N329 L425 Y443 W453	F311-P408 HydrophobicContact CE1-CB 4.47Å; F311-P408 HydrophobicContact CE2-CB 4.32Å; F311-P408 HydrophobicContact CE2-CG 4.27Å; F311-P408 HydrophobicContact CZ-CB 3.72Å; F311-P408 HydrophobicContact CZ-CG 4.14Å; N329-P408 WeakPolarHBondContact CB-O 3.48Å; N329-P408 PolarHBondContact ND2-O 2.86Å; P408-L425 HydrophobicContact CB-CD2 3.85Å; P408-L425 HydrophobicContact CG-CD2 3.83Å; P408-Y443 HydrophobicContact CB-CD2 3.92Å; P408-Y443 HydrophobicContact CB-CE2 3.78Å; P408-Y443 HydrophobicContact CB-CG 4.4Å; P408-Y443 HydrophobicContact CG-CD1 4.06Å; P408-Y443 HydrophobicContact CG-CD2 3.76Å; P408-Y443 HydrophobicContact CG-CE1 4.35Å; P408-Y443 HydrophobicContact CG-CE2 4.05Å; P408-Y443 HydrophobicContact CG-CG 3.76Å; P408-W453 HydrophobicContact CG-CD2 3.87Å; P408-W453 HydrophobicContact CG-CE3 4.03Å; P408-W453 HydrophobicContact CG-CG 4.43Å; P408-W453 HydrophobicContact CG-CH2 4.05Å; P408-W453 HydrophobicContact CG-CZ2 3.88Å; P408-W453 HydrophobicContact CG-CZ3 4.13Å
409	C	93.4	Very high	77.3	Confident	38 Å²	38	52.3 Å²	52.3	26%	0.257	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-62.9	161.4	173.5	75.6	0	0	0	0	111.9	E407 R411	E407-C409 PolarHBondContact O-N 2.98Å; C409-R411 VanDerWaalsContact N-NH2 3.18Å; C409-R411 PolarHBondContact O-N 2.83Å; C409-R411 PolarHBondContact O-NE 2.81Å; C409-R411 PolarHBondContact SG-NH2 2.91Å
410	P	95.4	Very high	80.4	Confident	54 Å²	54	54.4 Å²	54.4	35%	0.351	35%	0.349	S	S	.	.	S	Bend	trans	-52.8	133.7	169.4	-26.7	36	0	0	0	111.8	F327 Y328 N329 F430	F327-P410 HydrophobicContact CB-CB 3.61Å; F327-P410 WeakPolarHBondContact O-CB 2.85Å; Y328-P410 WeakPolarHBondContact O-CA 3.27Å; N329-P410 HydrophobicContact CB-CB 4.41Å; N329-P410 HydrophobicContact CB-CG 4.09Å; P410-F430 WeakPolarHBondContact O-CB 3.5Å
411	R	96.1	Very high	83.3	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	31%	0.311	C	S	.	.			trans	-164.5	156.8	-175.4	64.9	-170.8	73.3	-164.1	-4.6	113.2	F311 G313 Y328 C409 A414 G427 M429 L439 D441	F311-R411 HydrophobicContact CE1-CG 3.74Å; G313-R411 PolarHBondContact N-O 3.16Å; Y328-R411 PolarHBondContact O-N 3.35Å; Y328-R411 VanDerWaalsContact O-N 3.09Å; C409-R411 VanDerWaalsContact N-NH2 3.18Å; C409-R411 PolarHBondContact O-N 2.83Å; C409-R411 PolarHBondContact O-NE 2.81Å; C409-R411 PolarHBondContact SG-NH2 2.91Å; R411-A414 HydrophobicContact CG-CB 4.21Å; R411-G427 WeakPolarHBondContact CD-O 3.45Å; R411-G427 PolarHBondContact NH1-O 2.71Å; R411-M429 CarbonylContact C-O 3.6Å; R411-M429 WeakPolarHBondContact CA-O 3.28Å; R411-M429 VanDerWaalsContact CB-O 3.28Å; R411-M429 WeakPolarHBondContact CB-O 3.3Å; R411-L439 HydrophobicContact CB-CD1 3.97Å; R411-L439 VanDerWaalsContact CZ-CD1 3.43Å; R411-D441 IonicContact CZ-OD1 3.41Å; R411-D441 IonicContact CZ-OD2 3.4Å; R411-D441 IonicContact NH1-OD1 3.59Å; R411-D441 PolarHBondContact NH1-OD1 3.35Å; R411-D441 IonicContact NH1-OD2 3.95Å; R411-D441 PolarHBondContact NH1-OD2 3.33Å; R411-D441 IonicContact NH2-OD1 2.87Å; R411-D441 IonicContact NH2-OD2 3.28Å; R411-D441 PolarHBondContact NH2-OD2 2.91Å
412	S	97	Very high	86.3	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.042	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-114.6	167.1	167.3	72.4	0	0	0	0	110.9	G297 A414 G428 M429	G297-S412 CarbonylContact O-C 3.57Å; S412-A414 PolarHBondContact O-N 2.53Å; S412-G428 CarbonylContact O-C 3.47Å; S412-G428 VanDerWaalsContact O-CA 3.26Å; S412-G428 WeakPolarHBondContact O-CA 3.27Å; S412-M429 PolarHBondContact N-O 2.79Å; S412-M429 PolarHBondContact O-N 3.48Å; S412-M429 WeakPolarHBondContact OG-CG 3.48Å
413	S	97.1	Very high	89	Confident	28 Å²	28	42.2 Å²	42.2	20%	0.196	25%	0.252	C	S	.	.	S	Bend	trans	56.1	24.6	171.5	-60	0	0	0	0	115.2	N63 G297	N63-S413 PolarHBondContact N-O 3.35Å; N63-S413 WeakPolarHBondContact OD1-CB 3.25Å; N63-S413 PolarHBondContact OD1-OG 3.05Å; G297-S413 PolarHBondContact O-N 2.88Å
414	A	97.4	Very high	91.8	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	22%	0.22	C	C	.	.			trans	-70.6	151.9	173.2	0	0	0	0	0	110.8	S299 R411 S412 L425 G427	S299-A414 WeakPolarHBondContact CB-O 3.36Å; S299-A414 VanDerWaalsContact OG-C 3.31Å; S299-A414 PolarHBondContact OG-O 2.96Å; R411-A414 HydrophobicContact CG-CB 4.21Å; S412-A414 PolarHBondContact O-N 2.53Å; A414-L425 HydrophobicContact CB-CD1 3.69Å; A414-L425 HydrophobicContact CB-CG 4.34Å; A414-G427 WeakPolarHBondContact CB-O 3.4Å
415	M	97.8	Very high	93.8	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.9	178.5	-62.4	136	-69.1	0	0	109.3	R61 A64 L66 L77 L425 Y426	R61-M415 HydrophobicContact CG-CE 4.12Å; R61-M415 HydrophobicContact CG-SD 4.19Å; R61-M415 VanDerWaalsContact O-CE 3.25Å; R61-M415 WeakPolarHBondContact O-CE 3.28Å; A64-M415 HydrophobicContact CB-CG 4.15Å; A64-M415 HydrophobicContact CB-SD 3.35Å; A64-M415 WeakPolarHBondContact CB-SD 3.36Å; A64-M415 WeakPolarHBondContact O-CG 3.23Å; L66-M415 HydrophobicContact CB-CB 3.61Å; L77-M415 HydrophobicContact CD1-SD 3.72Å; M415-L425 WeakPolarHBondContact O-CA 3.28Å; M415-Y426 HydrophobicContact CE-CD1 3.43Å; M415-Y426 VanDerWaalsContact CE-CD1 3.43Å; M415-Y426 HydrophobicContact CE-CE1 4.17Å; M415-Y426 HydrophobicContact CE-CG 4.23Å; M415-Y426 WeakPolarHBondContact CE-O 3.25Å; M415-Y426 PolarHBondContact N-O 2.85Å; M415-Y426 PolarHBondContact O-N 2.96Å; M415-Y426 HydrophobicContact SD-CD1 3.97Å
416	A	97.7	Very high	95.5	Very high	19 Å²	19	29.2 Å²	29.2	16%	0.157	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.4	-177.1	0	0	0	0	0	112.2	A301 L423 Y424 L425	A301-A416 HydrophobicContact CB-CB 4.12Å; A416-L423 HydrophobicContact CB-CD1 4.25Å; A416-Y424 VanDerWaalsContact CA-O 3.28Å; A416-Y424 WeakPolarHBondContact CA-O 3.33Å; A416-L425 HydrophobicContact CB-CD1 4.09Å
417	T	97.8	Very high	96.2	Very high	19 Å²	19	25.6 Å²	25.6	12%	0.117	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.1	172.4	-157.3	0	0	0	0	111.4	L66 A68 L75 Y424	L66-T417 HydrophobicContact CD2-CG2 3.94Å; L66-T417 HydrophobicContact CG-CG2 3.84Å; L66-T417 WeakPolarHBondContact O-CB 3.23Å; A68-T417 PolarHBondContact N-OG1 3.4Å; L75-T417 HydrophobicContact CD1-CG2 4.3Å; L75-T417 HydrophobicContact CD2-CG2 3.8Å; T417-Y424 PolarHBondContact N-O 2.97Å; T417-Y424 PolarHBondContact O-N 2.88Å
418	V	96.9	Very high	96.5	Very high	21 Å²	21	20.4 Å²	20.4	13%	0.127	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	175.1	179	0	0	0	0	109.7	A301 K422 L423 L447	A301-V418 HydrophobicContact CB-CG2 3.81Å; V418-K422 VanDerWaalsContact CA-O 3.31Å; V418-K422 WeakPolarHBondContact CA-O 3.34Å; V418-K422 WeakPolarHBondContact CG1-O 3.25Å; V418-L423 HydrophobicContact CG2-CB 4.48Å; V418-L423 HydrophobicContact CG2-CD1 4.12Å; V418-L447 HydrophobicContact CG1-CD1 3.96Å; V418-L447 HydrophobicContact CG2-CD1 3.81Å
419	R	95.6	Very high	96.5	Very high	44 Å²	44	20.9 Å²	20.9	17%	0.166	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.4	171.2	-177.8	64.6	-175.8	-170.2	3.8	108.9	A68 H69 P70 E71 K72 D73 L75 I99 G421 K422 Y424	A68-R419 HydrophobicContact CB-CB 4.08Å; A68-R419 HydrophobicContact CB-CG 4.47Å; H69-R419 PolarHBondContact O-NH1 3.07Å; P70-R419 PolarHBondContact O-NH1 2.84Å; E71-R419 PolarHBondContact O-NH2 2.96Å; E71-R419 VanDerWaalsContact O-NH2 3.08Å; K72-R419 VanDerWaalsContact O-CZ 3.23Å; K72-R419 PolarHBondContact O-NH2 3.21Å; D73-R419 IonicContact OD1-CZ 2.78Å; D73-R419 IonicContact OD1-NE 3.4Å; D73-R419 IonicContact OD1-NH2 3.12Å; D73-R419 PolarHBondContact OD1-NH2 2.7Å; D73-R419 VanDerWaalsContact OD1-NH2 3.08Å; L75-R419 HydrophobicContact CD2-CB 3.85Å; L75-R419 HydrophobicContact CD2-CG 4.36Å; I99-R419 HydrophobicContact CD1-CB 4.12Å; I99-R419 HydrophobicContact CD1-CG 3.63Å; R419-G421 PolarHBondContact O-N 2.69Å; R419-K422 PolarHBondContact N-O 3.28Å; R419-K422 PolarHBondContact O-N 3.3Å; R419-Y424 HydrophobicContact CB-CE2 4.07Å
420	Q	92.6	Very high	96.4	Very high	114 Å²	114	20.8 Å²	20.8	53%	0.533	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.3	-179.9	-62.7	-179.9	-18.7	0	0	114.5	D73 K422	D73-Q420 PolarHBondContact OD1-NE2 2.82Å; D73-Q420 PolarHBondContact OD2-NE2 3.33Å; D73-Q420 VanDerWaalsContact OD2-NE2 3.08Å; Q420-K422 PolarHBondContact O-N 3.38Å
421	G	93.8	Very high	96.2	Very high	4 Å²	4	22 Å²	22	4%	0.041	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	8	-179.6	0	0	0	0	0	114.8	R419 L447	R419-G421 PolarHBondContact O-N 2.69Å; G421-L447 VanDerWaalsContact O-CB 3.29Å; G421-L447 WeakPolarHBondContact O-CB 3.4Å; G421-L447 PolarHBondContact O-N 3.41Å
422	K	96.4	Very high	95.7	Very high	58 Å²	58	26.4 Å²	26.4	25%	0.252	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.7	170.5	-73.9	175.9	157.9	-142.3	0	109.9	V418 R419 Q420 Y424 C444 L445 D446 E454	V418-K422 VanDerWaalsContact CA-O 3.31Å; V418-K422 WeakPolarHBondContact CA-O 3.34Å; V418-K422 WeakPolarHBondContact CG1-O 3.25Å; R419-K422 PolarHBondContact N-O 3.28Å; R419-K422 PolarHBondContact O-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.38Å; K422-Y424 HydrophobicContact CB-CD2 4.46Å; K422-Y424 HydrophobicContact CB-CE2 3.72Å; K422-Y424 WeakPolarHBondContact O-CD2 3.3Å; K422-C444 VanDerWaalsContact CD-SG 3.52Å; K422-L445 CarbonylContact C-O 3.6Å; K422-L445 VanDerWaalsContact CA-O 3.29Å; K422-L445 WeakPolarHBondContact CA-O 3.27Å; K422-D446 HydrophobicContact CG-CB 4.47Å; K422-E454 IonicContact NZ-OE2 3.05Å; K422-E454 PolarHBondContact NZ-OE2 3.39Å
423	L	97.7	Very high	95.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131	167	172.4	69.5	0	0	0	108.3	A301 V309 L331 A416 V418 C444 L445 L447 W453	A301-L423 HydrophobicContact CB-CD1 3.87Å; V309-L423 HydrophobicContact CG1-CD2 3.99Å; L331-L423 HydrophobicContact CD2-CD2 4.06Å; A416-L423 HydrophobicContact CB-CD1 4.25Å; V418-L423 HydrophobicContact CG2-CB 4.48Å; V418-L423 HydrophobicContact CG2-CD1 4.12Å; L423-C444 CarbonylContact O-C 3.56Å; L423-C444 WeakPolarHBondContact O-CA 3.2Å; L423-L445 HydrophobicContact CB-CB 4.39Å; L423-L445 PolarHBondContact N-O 3.02Å; L423-L445 PolarHBondContact O-N 3.03Å; L423-L447 HydrophobicContact CB-CD1 4.27Å; L423-L447 HydrophobicContact CB-CD2 3.92Å; L423-L447 HydrophobicContact CB-CG 4.12Å; L423-W453 HydrophobicContact CD2-CH2 3.82Å; L423-W453 HydrophobicContact CD2-CZ3 4.32Å
424	Y	98.4	Very high	94.3	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.3	171.7	-65.3	-90.6	0	0	0	108.5	L75 Y97 I99 A416 T417 R419 K422 F442 Y443 C444 L456	L75-Y424 HydrophobicContact CD1-CD1 3.7Å; L75-Y424 HydrophobicContact CD1-CD2 3.85Å; L75-Y424 HydrophobicContact CD1-CE1 4.25Å; L75-Y424 HydrophobicContact CD1-CE2 4.4Å; L75-Y424 HydrophobicContact CD1-CG 3.48Å; L75-Y424 VanDerWaalsContact CD1-CG 3.48Å; L75-Y424 HydrophobicContact CD2-CD2 4.24Å; L75-Y424 HydrophobicContact CD2-CE2 4.48Å; Y97-Y424 HydrophobicContact CE1-CE1 4.35Å; I99-Y424 HydrophobicContact CD1-CE2 4.29Å; I99-Y424 WeakPolarHBondContact CG2-OH 3.24Å; A416-Y424 VanDerWaalsContact CA-O 3.28Å; A416-Y424 WeakPolarHBondContact CA-O 3.33Å; T417-Y424 PolarHBondContact N-O 2.97Å; T417-Y424 PolarHBondContact O-N 2.88Å; R419-Y424 HydrophobicContact CB-CE2 4.07Å; K422-Y424 HydrophobicContact CB-CD2 4.46Å; K422-Y424 HydrophobicContact CB-CE2 3.72Å; K422-Y424 WeakPolarHBondContact O-CD2 3.3Å; Y424-F442 HydrophobicContact CD1-CE2 4.18Å; Y424-F442 AromaticContact CD1-CZ 3.75Å; Y424-F442 HydrophobicContact CD1-CZ 3.75Å; Y424-F442 HydrophobicContact CG-CZ 4.38Å; Y424-Y443 WeakPolarHBondContact CA-O 3.32Å; Y424-C444 HydrophobicContact CD1-CB 3.97Å; Y424-C444 HydrophobicContact CE1-CB 3.92Å; Y424-L456 HydrophobicContact CD1-CD1 3.96Å; Y424-L456 HydrophobicContact CE1-CD1 4.02Å
425	L	98.3	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.7	-177.6	-176.7	77.2	0	0	0	109.1	F311 P408 A414 M415 A416 F442 Y443 W453	F311-L425 HydrophobicContact CD1-CD1 3.66Å; F311-L425 HydrophobicContact CD1-CD2 3.53Å; F311-L425 HydrophobicContact CD1-CG 4.25Å; F311-L425 HydrophobicContact CD2-CD2 4.35Å; F311-L425 HydrophobicContact CE1-CD1 4.23Å; F311-L425 HydrophobicContact CE1-CD2 3.32Å; F311-L425 HydrophobicContact CE1-CG 4.39Å; F311-L425 HydrophobicContact CE2-CD2 4.16Å; F311-L425 HydrophobicContact CG-CD1 4.22Å; F311-L425 HydrophobicContact CG-CD2 4.07Å; F311-L425 HydrophobicContact CZ-CD2 3.68Å; P408-L425 HydrophobicContact CB-CD2 3.85Å; P408-L425 HydrophobicContact CG-CD2 3.83Å; A414-L425 HydrophobicContact CB-CD1 3.69Å; A414-L425 HydrophobicContact CB-CG 4.34Å; M415-L425 WeakPolarHBondContact O-CA 3.28Å; A416-L425 HydrophobicContact CB-CD1 4.09Å; L425-F442 WeakPolarHBondContact O-CA 3.16Å; L425-F442 VanDerWaalsContact O-CD2 3.29Å; L425-F442 WeakPolarHBondContact O-CD2 3.23Å; L425-Y443 PolarHBondContact N-O 2.89Å; L425-Y443 PolarHBondContact O-N 2.85Å; L425-W453 HydrophobicContact CB-CZ3 4.27Å; L425-W453 HydrophobicContact CD2-CH2 4.28Å
426	Y	98.3	Very high	93.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.9	-179	-173.7	-108.8	0	0	0	110.4	P58 A59 R61 L77 W104 M415 S440 D441 F442	P58-Y426 VanDerWaalsContact C-OH 3.3Å; P58-Y426 WeakPolarHBondContact CB-OH 3.43Å; P58-Y426 PolarHBondContact O-OH 3.26Å; A59-Y426 PolarHBondContact O-OH 2.86Å; R61-Y426 HydrophobicContact CG-CD1 4.44Å; R61-Y426 HydrophobicContact CG-CE1 3.78Å; L77-Y426 HydrophobicContact CD1-CD1 4.19Å; L77-Y426 HydrophobicContact CD2-CD1 4.15Å; L77-Y426 HydrophobicContact CD2-CE1 3.85Å; W104-Y426 HydrophobicContact CZ2-CE2 4.49Å; M415-Y426 HydrophobicContact CE-CD1 3.43Å; M415-Y426 VanDerWaalsContact CE-CD1 3.43Å; M415-Y426 HydrophobicContact CE-CE1 4.17Å; M415-Y426 HydrophobicContact CE-CG 4.23Å; M415-Y426 WeakPolarHBondContact CE-O 3.25Å; M415-Y426 PolarHBondContact N-O 2.85Å; M415-Y426 PolarHBondContact O-N 2.96Å; M415-Y426 HydrophobicContact SD-CD1 3.97Å; Y426-S440 WeakPolarHBondContact CE2-O 3.15Å; Y426-D441 WeakPolarHBondContact CD2-O 3.48Å; Y426-F442 HydrophobicContact CD2-CB 3.74Å; Y426-F442 AromaticContact CD2-CD2 3.71Å; Y426-F442 HydrophobicContact CD2-CD2 3.71Å; Y426-F442 AromaticContact CD2-CG 3.82Å; Y426-F442 HydrophobicContact CD2-CG 3.82Å; Y426-F442 HydrophobicContact CE2-CB 4.26Å; Y426-F442 HydrophobicContact CG-CD2 4.21Å
427	G	97.3	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.1	-141	166.8	0	0	0	0	0	115.6	R411 A414 L439 D441	R411-G427 WeakPolarHBondContact CD-O 3.45Å; R411-G427 PolarHBondContact NH1-O 2.71Å; A414-G427 WeakPolarHBondContact CB-O 3.4Å; G427-L439 WeakPolarHBondContact CA-O 3.48Å; G427-D441 PolarHBondContact N-O 3.44Å
428	G	96.7	Very high	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.9	-162.3	-170.8	0	0	0	0	0	112.2	R61 S412 L439	R61-G428 PolarHBondContact O-N 3.01Å; S412-G428 CarbonylContact O-C 3.47Å; S412-G428 VanDerWaalsContact O-CA 3.26Å; S412-G428 WeakPolarHBondContact O-CA 3.27Å; G428-L439 WeakPolarHBondContact O-CB 3.36Å; G428-L439 PolarHBondContact O-N 3.45Å
429	M	94.6	Very high	92.5	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.059	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.2	179.8	62.9	136.2	-67.6	0	0	112.5	L62 F327 R411 S412 E431 Q436 F437	L62-M429 HydrophobicContact CD1-CB 4.04Å; L62-M429 HydrophobicContact CD1-CG 3.67Å; L62-M429 HydrophobicContact CD1-SD 4.14Å; F327-M429 HydrophobicContact CE1-CE 3.55Å; F327-M429 HydrophobicContact CZ-CE 3.46Å; F327-M429 VanDerWaalsContact CZ-CE 3.46Å; R411-M429 CarbonylContact C-O 3.6Å; R411-M429 WeakPolarHBondContact CA-O 3.28Å; R411-M429 VanDerWaalsContact CB-O 3.28Å; R411-M429 WeakPolarHBondContact CB-O 3.3Å; S412-M429 PolarHBondContact N-O 2.79Å; S412-M429 PolarHBondContact O-N 3.48Å; S412-M429 WeakPolarHBondContact OG-CG 3.48Å; M429-E431 HydrophobicContact CE-CG 3.67Å; M429-E431 WeakPolarHBondContact CE-OE1 3.45Å; M429-Q436 HydrophobicContact CE-CG 4.01Å; M429-Q436 HydrophobicContact SD-CG 4.18Å; M429-Q436 PolarHBondContact SD-NE2 2.83Å; M429-F437 WeakPolarHBondContact CA-O 3.48Å; M429-F437 VanDerWaalsContact CB-O 3.29Å; M429-F437 WeakPolarHBondContact CB-O 3.3Å
430	F	92.6	Very high	92.5	Very high	36 Å²	36	39.4 Å²	39.4	16%	0.158	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.4	166.8	73.1	-78	0	0	0	109.5	F327 P410 V432 F437 L439 P461	F327-F430 HydrophobicContact CD1-CB 4.3Å; F327-F430 HydrophobicContact CG-CB 4.37Å; P410-F430 WeakPolarHBondContact O-CB 3.5Å; F430-V432 HydrophobicContact CD2-CG2 3.92Å; F430-V432 HydrophobicContact CE2-CG2 3.6Å; F430-F437 HydrophobicContact CD1-CB 3.74Å; F430-F437 HydrophobicContact CD2-CD2 4.33Å; F430-F437 HydrophobicContact CE1-CB 3.27Å; F430-F437 HydrophobicContact CE1-CD2 4.26Å; F430-F437 AromaticContact CE1-CG 3.85Å; F430-F437 HydrophobicContact CE1-CG 3.85Å; F430-F437 HydrophobicContact CE2-CB 4.29Å; F430-F437 AromaticContact CE2-CD2 3.74Å; F430-F437 HydrophobicContact CE2-CD2 3.74Å; F430-F437 HydrophobicContact CE2-CE2 4.39Å; F430-F437 HydrophobicContact CE2-CG 4.15Å; F430-F437 HydrophobicContact CG-CB 4.41Å; F430-F437 HydrophobicContact CZ-CB 3.59Å; F430-F437 HydrophobicContact CZ-CD1 4.33Å; F430-F437 AromaticContact CZ-CD2 3.68Å; F430-F437 HydrophobicContact CZ-CD2 3.68Å; F430-F437 HydrophobicContact CZ-CE2 4.48Å; F430-F437 AromaticContact CZ-CG 3.6Å; F430-F437 HydrophobicContact CZ-CG 3.6Å; F430-F437 PolarHBondContact N-O 2.92Å; F430-F437 VanDerWaalsContact N-O 3.13Å; F430-F437 PolarHBondContact O-N 2.77Å; F430-L439 HydrophobicContact CD1-CD1 4.07Å; F430-L439 HydrophobicContact CD1-CD2 3.88Å; F430-L439 HydrophobicContact CD1-CG 4.12Å; F430-L439 HydrophobicContact CE1-CD2 3.63Å; F430-L439 HydrophobicContact CE1-CG 4.35Å; F430-P461 HydrophobicContact CE1-CB 3.86Å; F430-P461 HydrophobicContact CE1-CG 4.14Å; F430-P461 HydrophobicContact CZ-CB 3.74Å; F430-P461 HydrophobicContact CZ-CG 4.24Å
431	E	90.8	Very high	92.7	Very high	80 Å²	80	34.1 Å²	34.1	37%	0.374	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.4	179.8	-73.1	156.7	-170.3	0	0	111.4	F327 M429 R435 Q436	F327-E431 HydrophobicContact CE2-CB 3.82Å; F327-E431 HydrophobicContact CE2-CG 4.4Å; F327-E431 HydrophobicContact CZ-CB 4.09Å; F327-E431 HydrophobicContact CZ-CG 4.17Å; M429-E431 HydrophobicContact CE-CG 3.67Å; M429-E431 WeakPolarHBondContact CE-OE1 3.45Å; E431-R435 VanDerWaalsContact CA-O 3.31Å; E431-R435 WeakPolarHBondContact CA-O 3.49Å; E431-Q436 HydrophobicContact CG-CB 4.19Å; E431-Q436 HydrophobicContact CG-CG 4.22Å
432	V	84.9	Confident	92.9	Very high	93 Å²	93	34 Å²	34	56%	0.564	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	107.6	170.4	-178.1	0	0	0	0	107.8	F430 R435 F437	F430-V432 HydrophobicContact CD2-CG2 3.92Å; F430-V432 HydrophobicContact CE2-CG2 3.6Å; V432-R435 PolarHBondContact N-O 2.81Å; V432-R435 PolarHBondContact O-N 3.38Å; V432-F437 HydrophobicContact CB-CE2 4.17Å; V432-F437 HydrophobicContact CG2-CE2 4.25Å
433	G	84	Confident	92.9	Very high	70 Å²	70	32.2 Å²	32.2	72%	0.722	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	-135.5	-165.6	0	0	0	0	0	110	R435	G433-R435 PolarHBondContact O-N 3.22Å
434	D	80.5	Confident	92.9	Very high	171 Å²	171	32.2 Å²	32.2	91%	0.914	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	1.8	-179.9	-53.2	-42.5	0	0	0	113.9
435	R	85.2	Confident	92.8	Very high	91 Å²	91	32 Å²	32	34%	0.343	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119	-176.9	-59.7	-166.5	-175.6	-169.2	-0.6	111.2	E431 V432 G433 F437 W466 E468	E431-R435 VanDerWaalsContact CA-O 3.31Å; E431-R435 WeakPolarHBondContact CA-O 3.49Å; V432-R435 PolarHBondContact N-O 2.81Å; V432-R435 PolarHBondContact O-N 3.38Å; G433-R435 PolarHBondContact O-N 3.22Å; R435-F437 HydrophobicContact CB-CE2 3.79Å; R435-F437 HydrophobicContact CB-CZ 4.17Å; R435-W466 HydrophobicContact CB-CZ2 4.48Å; R435-W466 HydrophobicContact CG-CD2 4.16Å; R435-W466 HydrophobicContact CG-CE3 4.45Å; R435-W466 HydrophobicContact CG-CH2 4.04Å; R435-W466 HydrophobicContact CG-CZ2 3.7Å; R435-W466 HydrophobicContact CG-CZ3 4.39Å; R435-W466 VanDerWaalsContact CZ-CE3 3.45Å; R435-E468 IonicContact CZ-OE1 3.62Å; R435-E468 IonicContact NH1-OE1 3.44Å; R435-E468 PolarHBondContact NH1-OE1 3.08Å; R435-E468 IonicContact NH2-OE1 2.89Å; R435-E468 PolarHBondContact NH2-OE1 3.43Å
436	Q	87.6	Confident	92.7	Very high	44 Å²	44	33.6 Å²	33.6	21%	0.206	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.7	168.6	-168.6	-172.2	17.7	0	0	110.9	F83 M429 E431	F83-Q436 HydrophobicContact CD1-CB 4.33Å; M429-Q436 HydrophobicContact CE-CG 4.01Å; M429-Q436 HydrophobicContact SD-CG 4.18Å; M429-Q436 PolarHBondContact SD-NE2 2.83Å; E431-Q436 HydrophobicContact CG-CB 4.19Å; E431-Q436 HydrophobicContact CG-CG 4.22Å
437	F	90.4	Very high	92.5	Very high	31 Å²	31	34.9 Å²	34.9	14%	0.136	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.4	175	-66.3	-89.6	0	0	0	109.9	M429 F430 V432 R435	M429-F437 WeakPolarHBondContact CA-O 3.48Å; M429-F437 VanDerWaalsContact CB-O 3.29Å; M429-F437 WeakPolarHBondContact CB-O 3.3Å; F430-F437 HydrophobicContact CD1-CB 3.74Å; F430-F437 HydrophobicContact CD2-CD2 4.33Å; F430-F437 HydrophobicContact CE1-CB 3.27Å; F430-F437 HydrophobicContact CE1-CD2 4.26Å; F430-F437 AromaticContact CE1-CG 3.85Å; F430-F437 HydrophobicContact CE1-CG 3.85Å; F430-F437 HydrophobicContact CE2-CB 4.29Å; F430-F437 AromaticContact CE2-CD2 3.74Å; F430-F437 HydrophobicContact CE2-CD2 3.74Å; F430-F437 HydrophobicContact CE2-CE2 4.39Å; F430-F437 HydrophobicContact CE2-CG 4.15Å; F430-F437 HydrophobicContact CG-CB 4.41Å; F430-F437 HydrophobicContact CZ-CB 3.59Å; F430-F437 HydrophobicContact CZ-CD1 4.33Å; F430-F437 AromaticContact CZ-CD2 3.68Å; F430-F437 HydrophobicContact CZ-CD2 3.68Å; F430-F437 HydrophobicContact CZ-CE2 4.48Å; F430-F437 AromaticContact CZ-CG 3.6Å; F430-F437 HydrophobicContact CZ-CG 3.6Å; F430-F437 PolarHBondContact N-O 2.92Å; F430-F437 VanDerWaalsContact N-O 3.13Å; F430-F437 PolarHBondContact O-N 2.77Å; V432-F437 HydrophobicContact CB-CE2 4.17Å; V432-F437 HydrophobicContact CG2-CE2 4.25Å; R435-F437 HydrophobicContact CB-CE2 3.79Å; R435-F437 HydrophobicContact CB-CZ 4.17Å
438	T	93.6	Very high	92.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.4	176.9	-57.2	0	0	0	0	108.4	P60 R61 L62 F82 M459 Q464	P60-T438 HydrophobicContact CB-CG2 3.87Å; P60-T438 VanDerWaalsContact CB-O 3.28Å; P60-T438 WeakPolarHBondContact CB-O 3.1Å; R61-T438 VanDerWaalsContact CA-CG2 3.48Å; L62-T438 HydrophobicContact CD2-CG2 3.67Å; F82-T438 HydrophobicContact CD2-CG2 3.9Å; T438-M459 WeakPolarHBondContact O-CE 3.5Å; T438-Q464 PolarHBondContact O-OE1 2.83Å; T438-Q464 VanDerWaalsContact O-OE1 3.11Å
439	L	94.4	Very high	92.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.2	-168.7	-61.2	172.8	0	0	0	112.8	P60 R61 R411 G427 G428 F430 M459 P461	P60-L439 VanDerWaalsContact CA-O 3.31Å; P60-L439 WeakPolarHBondContact CA-O 3.48Å; R61-L439 PolarHBondContact N-O 2.74Å; R411-L439 HydrophobicContact CB-CD1 3.97Å; R411-L439 VanDerWaalsContact CZ-CD1 3.43Å; G427-L439 WeakPolarHBondContact CA-O 3.48Å; G428-L439 WeakPolarHBondContact O-CB 3.36Å; G428-L439 PolarHBondContact O-N 3.45Å; F430-L439 HydrophobicContact CD1-CD1 4.07Å; F430-L439 HydrophobicContact CD1-CD2 3.88Å; F430-L439 HydrophobicContact CD1-CG 4.12Å; F430-L439 HydrophobicContact CE1-CD2 3.63Å; F430-L439 HydrophobicContact CE1-CG 4.35Å; L439-M459 HydrophobicContact CB-SD 4.24Å; L439-M459 HydrophobicContact CD2-CE 4.47Å; L439-M459 HydrophobicContact CD2-SD 3.73Å; L439-P461 HydrophobicContact CD2-CG 4.14Å
440	S	95.1	Very high	92	Very high	19 Å²	19	46.4 Å²	46.4	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	6.2	172.3	58.3	0	0	0	0	113.8	Y426 M459	Y426-S440 WeakPolarHBondContact CE2-O 3.15Å; S440-M459 PolarHBondContact N-SD 3.29Å; S440-M459 WeakPolarHBondContact OG-CG 3.32Å
441	D	95.9	Very high	92	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	153.5	174.9	53.6	-2.1	0	0	0	111.5	R411 Y426 G427 Y443 V457 M459	R411-D441 IonicContact CZ-OD1 3.41Å; R411-D441 IonicContact CZ-OD2 3.4Å; R411-D441 IonicContact NH1-OD1 3.59Å; R411-D441 PolarHBondContact NH1-OD1 3.35Å; R411-D441 IonicContact NH1-OD2 3.95Å; R411-D441 PolarHBondContact NH1-OD2 3.33Å; R411-D441 IonicContact NH2-OD1 2.87Å; R411-D441 IonicContact NH2-OD2 3.28Å; R411-D441 PolarHBondContact NH2-OD2 2.91Å; Y426-D441 WeakPolarHBondContact CD2-O 3.48Å; G427-D441 PolarHBondContact N-O 3.44Å; D441-Y443 HydrophobicContact CB-CE2 3.71Å; D441-Y443 WeakPolarHBondContact OD2-CE2 3.32Å; D441-Y443 PolarHBondContact OD2-OH 2.81Å; D441-V457 WeakPolarHBondContact CA-O 3.42Å; D441-V457 WeakPolarHBondContact CB-O 3.34Å; D441-M459 HydrophobicContact CB-CB 3.77Å
442	F	97.8	Very high	92.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.5	-174	-167.9	-150.2	0	0	0	110.6	L66 L75 Y97 W104 Y424 L425 Y426 L456 V457	L66-F442 HydrophobicContact CD2-CE2 4.35Å; L75-F442 HydrophobicContact CD1-CZ 3.9Å; Y97-F442 AromaticContact CD1-CE1 3.85Å; Y97-F442 HydrophobicContact CD1-CE1 3.85Å; Y97-F442 HydrophobicContact CD1-CZ 4.11Å; Y97-F442 HydrophobicContact CD2-CE1 4.03Å; Y97-F442 AromaticContact CE1-CE1 3.7Å; Y97-F442 HydrophobicContact CE1-CE1 3.7Å; Y97-F442 HydrophobicContact CE1-CZ 4.15Å; Y97-F442 AromaticContact CE2-CE1 3.9Å; Y97-F442 HydrophobicContact CE2-CE1 3.9Å; Y97-F442 HydrophobicContact CG-CE1 4Å; Y97-F442 AromaticContact CZ-CE1 3.72Å; W104-F442 AromaticContact CZ2-CD1 3.87Å; W104-F442 HydrophobicContact CZ2-CD1 3.87Å; W104-F442 AromaticContact CZ2-CE1 3.74Å; W104-F442 HydrophobicContact CZ2-CE1 3.74Å; W104-F442 HydrophobicContact CZ2-CZ 4.3Å; Y424-F442 HydrophobicContact CD1-CE2 4.18Å; Y424-F442 AromaticContact CD1-CZ 3.75Å; Y424-F442 HydrophobicContact CD1-CZ 3.75Å; Y424-F442 HydrophobicContact CG-CZ 4.38Å; L425-F442 WeakPolarHBondContact O-CA 3.16Å; L425-F442 VanDerWaalsContact O-CD2 3.29Å; L425-F442 WeakPolarHBondContact O-CD2 3.23Å; Y426-F442 HydrophobicContact CD2-CB 3.74Å; Y426-F442 AromaticContact CD2-CD2 3.71Å; Y426-F442 HydrophobicContact CD2-CD2 3.71Å; Y426-F442 AromaticContact CD2-CG 3.82Å; Y426-F442 HydrophobicContact CD2-CG 3.82Å; Y426-F442 HydrophobicContact CE2-CB 4.26Å; Y426-F442 HydrophobicContact CG-CD2 4.21Å; F442-L456 HydrophobicContact CB-CB 4.17Å; F442-L456 HydrophobicContact CD1-CB 3.6Å; F442-L456 HydrophobicContact CD1-CD1 3.62Å; F442-L456 HydrophobicContact CD1-CG 4.26Å; F442-L456 HydrophobicContact CE1-CB 4.27Å; F442-L456 HydrophobicContact CE1-CD1 3.46Å; F442-L456 VanDerWaalsContact CE1-CD1 3.46Å; F442-L456 HydrophobicContact CE2-CD1 4.46Å; F442-L456 HydrophobicContact CG-CB 4.07Å; F442-L456 HydrophobicContact CG-CD1 4.2Å; F442-L456 HydrophobicContact CZ-CD1 3.89Å; F442-L456 WeakPolarHBondContact O-CA 3.4Å; F442-L456 WeakPolarHBondContact O-CB 3.41Å; F442-L456 PolarHBondContact O-N 2.94Å; F442-V457 HydrophobicContact CB-CB 3.63Å; F442-V457 HydrophobicContact CB-CG2 3.69Å; F442-V457 HydrophobicContact CD1-CG2 4.27Å; F442-V457 PolarHBondContact N-O 2.82Å; F442-V457 PolarHBondContact O-N 2.82Å
443	Y	97.7	Very high	92.7	Very high	21 Å²	21	44.9 Å²	44.9	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.7	-178.1	-55	-96.8	0	0	0	111.9	P408 Y424 L425 D441 W453 E454 V455	P408-Y443 HydrophobicContact CB-CD2 3.92Å; P408-Y443 HydrophobicContact CB-CE2 3.78Å; P408-Y443 HydrophobicContact CB-CG 4.4Å; P408-Y443 HydrophobicContact CG-CD1 4.06Å; P408-Y443 HydrophobicContact CG-CD2 3.76Å; P408-Y443 HydrophobicContact CG-CE1 4.35Å; P408-Y443 HydrophobicContact CG-CE2 4.05Å; P408-Y443 HydrophobicContact CG-CG 3.76Å; Y424-Y443 WeakPolarHBondContact CA-O 3.32Å; L425-Y443 PolarHBondContact N-O 2.89Å; L425-Y443 PolarHBondContact O-N 2.85Å; D441-Y443 HydrophobicContact CB-CE2 3.71Å; D441-Y443 WeakPolarHBondContact OD2-CE2 3.32Å; D441-Y443 PolarHBondContact OD2-OH 2.81Å; Y443-W453 HydrophobicContact CG-CE3 4.46Å; Y443-E454 CarbonylContact C-O 3.6Å; Y443-E454 WeakPolarHBondContact CA-O 3.36Å; Y443-V455 HydrophobicContact CD1-CB 4.45Å; Y443-V455 HydrophobicContact CD1-CG1 4.4Å; Y443-V455 HydrophobicContact CD1-CG2 4.02Å; Y443-V455 HydrophobicContact CE1-CB 4.5Å; Y443-V455 HydrophobicContact CE1-CG1 4.16Å; Y443-V455 HydrophobicContact CE1-CG2 3.89Å
444	C	97.1	Very high	93.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.4	171	163.4	0	0	0	0	110.6	K422 L423 Y424 E454 L456	K422-C444 VanDerWaalsContact CD-SG 3.52Å; L423-C444 CarbonylContact O-C 3.56Å; L423-C444 WeakPolarHBondContact O-CA 3.2Å; Y424-C444 HydrophobicContact CD1-CB 3.97Å; Y424-C444 HydrophobicContact CE1-CB 3.92Å; C444-E454 HydrophobicContact CB-CB 4.27Å; C444-E454 PolarHBondContact N-O 2.8Å; C444-E454 PolarHBondContact O-N 3.04Å; C444-L456 HydrophobicContact CB-CD1 3.78Å; C444-L456 HydrophobicContact CB-CG 4.15Å
445	L	96.5	Very high	94	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.8	173.6	176	64.8	0	0	0	110.6	L331 L346 K422 L423 L447 M450 Q452 W453	L331-L445 HydrophobicContact CD1-CD2 3.48Å; L331-L445 VanDerWaalsContact CD1-CD2 3.48Å; L346-L445 HydrophobicContact CD2-CD1 3.71Å; L346-L445 HydrophobicContact CD2-CD2 4.09Å; K422-L445 CarbonylContact C-O 3.6Å; K422-L445 VanDerWaalsContact CA-O 3.29Å; K422-L445 WeakPolarHBondContact CA-O 3.27Å; L423-L445 HydrophobicContact CB-CB 4.39Å; L423-L445 PolarHBondContact N-O 3.02Å; L423-L445 PolarHBondContact O-N 3.03Å; L445-L447 PolarHBondContact O-N 2.87Å; L445-M450 HydrophobicContact CD2-CE 4.43Å; L445-M450 HydrophobicContact CD2-SD 4.07Å; L445-M450 HydrophobicContact CG-SD 4.47Å; L445-Q452 VanDerWaalsContact CD1-O 3.28Å; L445-Q452 WeakPolarHBondContact CD1-O 3.37Å; L445-W453 HydrophobicContact CB-CD2 4.03Å; L445-W453 HydrophobicContact CB-CE3 3.59Å; L445-W453 HydrophobicContact CB-CH2 4.2Å; L445-W453 HydrophobicContact CB-CZ3 3.69Å; L445-W453 HydrophobicContact CD2-CD2 4.49Å; L445-W453 HydrophobicContact CD2-CH2 4.31Å; L445-W453 HydrophobicContact CD2-CZ2 4.08Å
446	D	95.4	Very high	94.5	Very high	32 Å²	32	36.5 Å²	36.5	17%	0.171	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	111.9	172.8	-175.2	-37.2	0	0	0	110.2	K422 H448 K449 M450	K422-D446 HydrophobicContact CG-CB 4.47Å; D446-H448 PolarHBondContact O-N 2.86Å; D446-H448 WeakPolarHBondContact OD1-CA 3.39Å; D446-H448 WeakPolarHBondContact OD1-CB 3.49Å; D446-H448 PolarHBondContact OD1-N 3.25Å; D446-H448 IonicContact OD1-ND1 3.01Å; D446-K449 HydrophobicContact CB-CB 4.12Å; D446-K449 HydrophobicContact CB-CD 4.26Å; D446-K449 HydrophobicContact CB-CG 4.31Å; D446-K449 PolarHBondContact O-N 2.97Å; D446-K449 PolarHBondContact OD1-N 3.45Å; D446-K449 WeakPolarHBondContact OD2-CD 3.45Å; D446-K449 WeakPolarHBondContact OD2-CE 3.37Å; D446-K449 IonicContact OD2-NZ 3.37Å; D446-M450 WeakPolarHBondContact O-CA 3.16Å; D446-M450 PolarHBondContact O-N 2.86Å
447	L	94.1	Very high	94.9	Very high	28 Å²	28	35.5 Å²	35.5	15%	0.147	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.5	-175.4	-62	175.1	0	0	0	113.8	V309 V418 G421 L423 L445 M450	V309-L447 HydrophobicContact CG1-CD2 4.48Å; V309-L447 HydrophobicContact CG2-CD1 3.94Å; V309-L447 HydrophobicContact CG2-CD2 4.06Å; V418-L447 HydrophobicContact CG1-CD1 3.96Å; V418-L447 HydrophobicContact CG2-CD1 3.81Å; G421-L447 VanDerWaalsContact O-CB 3.29Å; G421-L447 WeakPolarHBondContact O-CB 3.4Å; G421-L447 PolarHBondContact O-N 3.41Å; L423-L447 HydrophobicContact CB-CD1 4.27Å; L423-L447 HydrophobicContact CB-CD2 3.92Å; L423-L447 HydrophobicContact CB-CG 4.12Å; L445-L447 PolarHBondContact O-N 2.87Å; L447-M450 HydrophobicContact CD2-SD 4.03Å; L447-M450 WeakPolarHBondContact O-CG 3.38Å
448	H	92.4	Very high	94.9	Very high	122 Å²	122	41.9 Å²	41.9	57%	0.565	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-42.7	174.2	-61.8	90.4	0	0	0	111	D446	D446-H448 PolarHBondContact O-N 2.86Å; D446-H448 WeakPolarHBondContact OD1-CA 3.39Å; D446-H448 WeakPolarHBondContact OD1-CB 3.49Å; D446-H448 PolarHBondContact OD1-N 3.25Å; D446-H448 IonicContact OD1-ND1 3.01Å
449	K	93.3	Very high	94.4	Very high	117 Å²	117	43.4 Å²	43.4	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-44.7	178.7	-63.6	-179.5	-172.4	173.8	0	111.4	R347 D446 D451	R347-K449 WeakPolarHBondContact CD-O 3.31Å; D446-K449 HydrophobicContact CB-CB 4.12Å; D446-K449 HydrophobicContact CB-CD 4.26Å; D446-K449 HydrophobicContact CB-CG 4.31Å; D446-K449 PolarHBondContact O-N 2.97Å; D446-K449 PolarHBondContact OD1-N 3.45Å; D446-K449 WeakPolarHBondContact OD2-CD 3.45Å; D446-K449 WeakPolarHBondContact OD2-CE 3.37Å; D446-K449 IonicContact OD2-NZ 3.37Å; K449-D451 HydrophobicContact CB-CB 4.33Å; K449-D451 PolarHBondContact O-N 2.8Å
450	M	92.5	Very high	93.5	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.069	23%	0.231	C	C	.	.			trans	48.1	42.2	-173.8	-67.4	-71.7	-65	0	0	111	L331 L346 R347 L445 D446 L447	L331-M450 HydrophobicContact CD1-CE 4.5Å; L346-M450 CarbonylContact C-O 3.57Å; L346-M450 VanDerWaalsContact CA-O 3.3Å; L346-M450 WeakPolarHBondContact CA-O 3.24Å; L346-M450 HydrophobicContact CD2-CE 4.42Å; R347-M450 HydrophobicContact CG-CB 4.47Å; R347-M450 PolarHBondContact N-O 3.07Å; L445-M450 HydrophobicContact CD2-CE 4.43Å; L445-M450 HydrophobicContact CD2-SD 4.07Å; L445-M450 HydrophobicContact CG-SD 4.47Å; D446-M450 WeakPolarHBondContact O-CA 3.16Å; D446-M450 PolarHBondContact O-N 2.86Å; L447-M450 HydrophobicContact CD2-SD 4.03Å; L447-M450 WeakPolarHBondContact O-CG 3.38Å
451	D	93	Very high	92.2	Very high	64 Å²	64	47.8 Å²	47.8	34%	0.342	23%	0.234	S	C	.	.			trans	-96	-54.4	-173.2	49.8	-5.1	0	0	0	112.2	K449	K449-D451 HydrophobicContact CB-CB 4.33Å; K449-D451 PolarHBondContact O-N 2.8Å
452	Q	94.3	Very high	90.8	Very high	98 Å²	98	56.5 Å²	56.5	46%	0.458	27%	0.272	S	S	.	.			trans	-155	157.1	-178.6	65.7	-176.4	23.9	0	0	112	L445	L445-Q452 VanDerWaalsContact CD1-O 3.28Å; L445-Q452 WeakPolarHBondContact CD1-O 3.37Å
453	W	95.7	Very high	89.3	Confident	16 Å²	16	61.3 Å²	61.3	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.5	166.7	-69	99.2	0	0	0	110.7	F311 L331 P406 P408 L423 L425 Y443 L445	F311-W453 HydrophobicContact CD2-CH2 4.25Å; F311-W453 HydrophobicContact CD2-CZ2 4.05Å; F311-W453 HydrophobicContact CE2-CH2 4.37Å; F311-W453 AromaticContact CE2-CZ2 3.95Å; F311-W453 HydrophobicContact CE2-CZ2 3.95Å; L331-W453 HydrophobicContact CD1-CZ2 3.82Å; L331-W453 HydrophobicContact CD2-CZ2 4.26Å; L331-W453 HydrophobicContact CG-CZ2 4.25Å; P406-W453 WeakPolarHBondContact O-CB 3.17Å; P408-W453 HydrophobicContact CG-CD2 3.87Å; P408-W453 HydrophobicContact CG-CE3 4.03Å; P408-W453 HydrophobicContact CG-CG 4.43Å; P408-W453 HydrophobicContact CG-CH2 4.05Å; P408-W453 HydrophobicContact CG-CZ2 3.88Å; P408-W453 HydrophobicContact CG-CZ3 4.13Å; L423-W453 HydrophobicContact CD2-CH2 3.82Å; L423-W453 HydrophobicContact CD2-CZ3 4.32Å; L425-W453 HydrophobicContact CB-CZ3 4.27Å; L425-W453 HydrophobicContact CD2-CH2 4.28Å; Y443-W453 HydrophobicContact CG-CE3 4.46Å; L445-W453 HydrophobicContact CB-CD2 4.03Å; L445-W453 HydrophobicContact CB-CE3 3.59Å; L445-W453 HydrophobicContact CB-CH2 4.2Å; L445-W453 HydrophobicContact CB-CZ3 3.69Å; L445-W453 HydrophobicContact CD2-CD2 4.49Å; L445-W453 HydrophobicContact CD2-CH2 4.31Å; L445-W453 HydrophobicContact CD2-CZ2 4.08Å
454	E	95.7	Very high	88	Confident	90 Å²	90	61.4 Å²	61.4	42%	0.421	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.4	169.8	-179.4	178.8	-172.4	0	0	107.4	K422 Y443 C444 L456	K422-E454 IonicContact NZ-OE2 3.05Å; K422-E454 PolarHBondContact NZ-OE2 3.39Å; Y443-E454 CarbonylContact C-O 3.6Å; Y443-E454 WeakPolarHBondContact CA-O 3.36Å; C444-E454 HydrophobicContact CB-CB 4.27Å; C444-E454 PolarHBondContact N-O 2.8Å; C444-E454 PolarHBondContact O-N 3.04Å; E454-L456 HydrophobicContact CG-CD2 4.1Å
455	V	96.3	Very high	86.5	Confident	39 Å²	39	69.9 Å²	69.9	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.9	175.8	-167.8	0	0	0	0	108.6	P406 Y443 E458	P406-V455 HydrophobicContact CB-CG2 3.44Å; P406-V455 VanDerWaalsContact CB-CG2 3.44Å; P406-V455 HydrophobicContact CG-CG2 3.49Å; P406-V455 VanDerWaalsContact CG-CG2 3.49Å; Y443-V455 HydrophobicContact CD1-CB 4.45Å; Y443-V455 HydrophobicContact CD1-CG1 4.4Å; Y443-V455 HydrophobicContact CD1-CG2 4.02Å; Y443-V455 HydrophobicContact CE1-CB 4.5Å; Y443-V455 HydrophobicContact CE1-CG1 4.16Å; Y443-V455 HydrophobicContact CE1-CG2 3.89Å; V455-E458 HydrophobicContact CG1-CB 4.48Å; V455-E458 HydrophobicContact CG1-CG 3.56Å
456	L	96.5	Very high	85	Confident	27 Å²	27	73.3 Å²	73.3	14%	0.141	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-36.1	177.2	-59.1	177.6	0	0	0	111.1	Y97 Y424 F442 C444 E454	Y97-L456 HydrophobicContact CE1-CD1 4.39Å; Y424-L456 HydrophobicContact CD1-CD1 3.96Å; Y424-L456 HydrophobicContact CE1-CD1 4.02Å; F442-L456 HydrophobicContact CB-CB 4.17Å; F442-L456 HydrophobicContact CD1-CB 3.6Å; F442-L456 HydrophobicContact CD1-CD1 3.62Å; F442-L456 HydrophobicContact CD1-CG 4.26Å; F442-L456 HydrophobicContact CE1-CB 4.27Å; F442-L456 HydrophobicContact CE1-CD1 3.46Å; F442-L456 VanDerWaalsContact CE1-CD1 3.46Å; F442-L456 HydrophobicContact CE2-CD1 4.46Å; F442-L456 HydrophobicContact CG-CB 4.07Å; F442-L456 HydrophobicContact CG-CD1 4.2Å; F442-L456 HydrophobicContact CZ-CD1 3.89Å; F442-L456 WeakPolarHBondContact O-CA 3.4Å; F442-L456 WeakPolarHBondContact O-CB 3.41Å; F442-L456 PolarHBondContact O-N 2.94Å; C444-L456 HydrophobicContact CB-CD1 3.78Å; C444-L456 HydrophobicContact CB-CG 4.15Å; E454-L456 HydrophobicContact CG-CD2 4.1Å
457	V	95	Very high	83.3	Confident	22 Å²	22	74.2 Å²	74.2	13%	0.133	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122.4	174.1	-179	0	0	0	0	107.9	P57 D441 F442	P57-V457 HydrophobicContact CB-CG1 3.98Å; P57-V457 HydrophobicContact CB-CG2 3.82Å; P57-V457 HydrophobicContact CG-CB 4.33Å; P57-V457 HydrophobicContact CG-CG1 3.86Å; P57-V457 HydrophobicContact CG-CG2 3.44Å; P57-V457 VanDerWaalsContact CG-CG2 3.44Å; D441-V457 WeakPolarHBondContact CA-O 3.42Å; D441-V457 WeakPolarHBondContact CB-O 3.34Å; F442-V457 HydrophobicContact CB-CB 3.63Å; F442-V457 HydrophobicContact CB-CG2 3.69Å; F442-V457 HydrophobicContact CD1-CG2 4.27Å; F442-V457 PolarHBondContact N-O 2.82Å; F442-V457 PolarHBondContact O-N 2.82Å
458	E	91.3	Very high	81.2	Confident	166 Å²	166	79.2 Å²	79.2	78%	0.776	39%	0.387	S	S	*	.			trans	-83.5	142.4	169.9	-72	178.7	-174.8	0	0	109.7	V455	V455-E458 HydrophobicContact CG1-CB 4.48Å; V455-E458 HydrophobicContact CG1-CG 3.56Å
459	M	83.1	Confident	79.1	Confident	31 Å²	31	78.3 Å²	78.3	15%	0.153	39%	0.386	C	S	.	.			trans	-135	132.5	167.8	-175.6	-151.4	179.3	0	0	106.8	T438 L439 S440 D441 P461 Q464	T438-M459 WeakPolarHBondContact O-CE 3.5Å; L439-M459 HydrophobicContact CB-SD 4.24Å; L439-M459 HydrophobicContact CD2-CE 4.47Å; L439-M459 HydrophobicContact CD2-SD 3.73Å; S440-M459 PolarHBondContact N-SD 3.29Å; S440-M459 WeakPolarHBondContact OG-CG 3.32Å; D441-M459 HydrophobicContact CB-CB 3.77Å; M459-P461 WeakPolarHBondContact O-CD 3.28Å; M459-Q464 HydrophobicContact CE-CB 4.42Å
460	D	74.8	Confident	76.4	Confident	79 Å²	79	80.1 Å²	80.1	42%	0.422	40%	0.401	S	S	.	.			trans	-92.7	110.1	162.9	-179.8	-0.4	0	0	0	108	K462 T463	D460-K462 PolarHBondContact O-N 2.83Å; D460-K462 VanDerWaalsContact OD1-CB 3.31Å; D460-K462 WeakPolarHBondContact OD1-CB 3.37Å; D460-K462 WeakPolarHBondContact OD1-CG 3.49Å; D460-K462 PolarHBondContact OD1-N 3.32Å; D460-T463 HydrophobicContact CB-CG2 3.77Å; D460-T463 WeakPolarHBondContact O-CB 3.41Å; D460-T463 PolarHBondContact O-N 3.35Å; D460-T463 PolarHBondContact O-OG1 3.33Å
461	P	68.3	Low	73.8	Confident	32 Å²	32	88.3 Å²	88.3	21%	0.208	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-55.7	-25.1	179.1	-25.5	35.6	0	0	0	113.6	F430 L439 M459 T463 Q464	F430-P461 HydrophobicContact CE1-CB 3.86Å; F430-P461 HydrophobicContact CE1-CG 4.14Å; F430-P461 HydrophobicContact CZ-CB 3.74Å; F430-P461 HydrophobicContact CZ-CG 4.24Å; L439-P461 HydrophobicContact CD2-CG 4.14Å; M459-P461 WeakPolarHBondContact O-CD 3.28Å; P461-T463 PolarHBondContact O-N 3.01Å; P461-Q464 WeakPolarHBondContact O-CB 3.36Å; P461-Q464 PolarHBondContact O-N 3.49Å
462	K	66	Low	70.9	Confident	187 Å²	187	91.8 Å²	91.8	81%	0.813	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-71.6	-17.2	178.7	-59.7	179.1	-179.3	179.4	0	113.3	D460 Q464	D460-K462 PolarHBondContact O-N 2.83Å; D460-K462 VanDerWaalsContact OD1-CB 3.31Å; D460-K462 WeakPolarHBondContact OD1-CB 3.37Å; D460-K462 WeakPolarHBondContact OD1-CG 3.49Å; D460-K462 PolarHBondContact OD1-N 3.32Å; K462-Q464 VanDerWaalsContact C-N 3.25Å
463	T	66	Low	67.9	Low	102 Å²	102	95.1 Å²	95.1	63%	0.626	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-82.9	-5.7	177.1	64.1	0	0	0	0	112.6	D460 P461 E465	D460-T463 HydrophobicContact CB-CG2 3.77Å; D460-T463 WeakPolarHBondContact O-CB 3.41Å; D460-T463 PolarHBondContact O-N 3.35Å; D460-T463 PolarHBondContact O-OG1 3.33Å; P461-T463 PolarHBondContact O-N 3.01Å; T463-E465 PolarHBondContact O-N 2.94Å
464	Q	70.1	Confident	64.8	Low	23 Å²	23	99.9 Å²	99.9	11%	0.107	51%	0.514	C	S	.	.	S	Bend	trans	-69.7	121.3	176.5	-165.9	179.5	-16.5	0	0	109.3	T438 M459 P461 K462 W466	T438-Q464 PolarHBondContact O-OE1 2.83Å; T438-Q464 VanDerWaalsContact O-OE1 3.11Å; M459-Q464 HydrophobicContact CE-CB 4.42Å; P461-Q464 WeakPolarHBondContact O-CB 3.36Å; P461-Q464 PolarHBondContact O-N 3.49Å; K462-Q464 VanDerWaalsContact C-N 3.25Å; Q464-W466 PolarHBondContact O-N 3.22Å; Q464-W466 VanDerWaalsContact O-N 3.16Å
465	E	65.3	Low	61.9	Low	178 Å²	178	104 Å²	104	83%	0.832	53%	0.533	S	S	*	.			trans	-62.4	116.8	170.8	-68.9	-179	172.6	0	0	108.6	T463	T463-E465 PolarHBondContact O-N 2.94Å
466	W	65.1	Low	58.6	Low	72 Å²	72	111.6 Å²	111.6	27%	0.273	56%	0.564	S	S	.	*			trans	-110.9	121.7	170.5	-163.1	78.7	0	0	0	107.2	R435 Q464 E468	R435-W466 HydrophobicContact CB-CZ2 4.48Å; R435-W466 HydrophobicContact CG-CD2 4.16Å; R435-W466 HydrophobicContact CG-CE3 4.45Å; R435-W466 HydrophobicContact CG-CH2 4.04Å; R435-W466 HydrophobicContact CG-CZ2 3.7Å; R435-W466 HydrophobicContact CG-CZ3 4.39Å; R435-W466 VanDerWaalsContact CZ-CE3 3.45Å; Q464-W466 PolarHBondContact O-N 3.22Å; Q464-W466 VanDerWaalsContact O-N 3.16Å; W466-E468 HydrophobicContact CE3-CB 4.4Å; W466-E468 HydrophobicContact CE3-CG 3.61Å; W466-E468 HydrophobicContact CZ3-CB 4.33Å; W466-E468 HydrophobicContact CZ3-CG 3.79Å; W466-E468 PolarHBondContact O-N 2.87Å; W466-E468 VanDerWaalsContact O-N 3.09Å
467	S	59.9	Low	55.4	Low	52 Å²	52	116.3 Å²	116.3	36%	0.364	59%	0.594	S	S	.	*			trans	-72.2	104.1	176.1	-171.9	0	0	0	0	108.1	N84 D469	N84-S467 PolarHBondContact O-N 2.9Å; S467-D469 PolarHBondContact O-N 3.32Å
468	E	51	Low	52.4	Low	132 Å²	132	121.5 Å²	121.5	62%	0.617	63%	0.628	S	S	*	*			trans	-70.2	115.9	165.9	-63.7	-174.8	164.2	0	0	107.1	R435 W466 D470	R435-E468 IonicContact CZ-OE1 3.62Å; R435-E468 IonicContact NH1-OE1 3.44Å; R435-E468 PolarHBondContact NH1-OE1 3.08Å; R435-E468 IonicContact NH2-OE1 2.89Å; R435-E468 PolarHBondContact NH2-OE1 3.43Å; W466-E468 HydrophobicContact CE3-CB 4.4Å; W466-E468 HydrophobicContact CE3-CG 3.61Å; W466-E468 HydrophobicContact CZ3-CB 4.33Å; W466-E468 HydrophobicContact CZ3-CG 3.79Å; W466-E468 PolarHBondContact O-N 2.87Å; W466-E468 VanDerWaalsContact O-N 3.09Å; E468-D470 PolarHBondContact O-N 2.9Å
469	D	47.5	Very low	49.4	Very low	104 Å²	104	121.2 Å²	121.2	56%	0.556	63%	0.631	S	S	*	*			trans	-73.4	121.6	168.9	-81.2	-32.1	0	0	0	107.7	K86 S467 E471	K86-D469 IonicContact NZ-OD1 2.63Å; K86-D469 PolarHBondContact NZ-OD1 2.63Å; S467-D469 PolarHBondContact O-N 3.32Å; D469-E471 PolarHBondContact O-N 3.36Å
470	D	36.8	Very low	46.9	Very low	154 Å²	154	124.7 Å²	124.7	82%	0.824	66%	0.659	S	S	*	*			trans	-56.5	126.2	156.7	-76.6	-49.3	0	0	0	107.7	E468 V472	E468-D470 PolarHBondContact O-N 2.9Å; D470-V472 PolarHBondContact O-N 2.9Å
471	E	37.9	Very low	44.8	Very low	187 Å²	187	126.2 Å²	126.2	87%	0.874	68%	0.676	S	S	*	*			trans	-52.8	99.8	174.9	-68.8	177.1	163.3	0	0	110.5	D469 E473	D469-E471 PolarHBondContact O-N 3.36Å; E471-E473 PolarHBondContact O-N 2.9Å
472	V	31.4	Very low	43	Very low	136 Å²	136	134 Å²	134	82%	0.824	71%	0.709	S	S	*	*			trans	-83.2	95.2	160.1	-82.8	0	0	0	0	107.6	D470 S474	D470-V472 PolarHBondContact O-N 2.9Å; V472-S474 PolarHBondContact O-N 2.83Å
473	E	33	Very low	41.2	Very low	169 Å²	169	133.3 Å²	133.3	79%	0.79	71%	0.713	S	S	*	*			trans	-46.5	112.5	167.7	-77.4	-164.5	154.9	0	0	109.8	E471 E475	E471-E473 PolarHBondContact O-N 2.9Å; E473-E475 PolarHBondContact O-N 3.2Å
474	S	30.4	Very low	39.3	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	72%	0.723	S	S	*	*			trans	-85.7	88.4	168.1	52	0	0	0	0	108.9	V472 F476	V472-S474 PolarHBondContact O-N 2.83Å; S474-F476 PolarHBondContact O-N 3.04Å
475	E	34.5	Very low	37.6	Very low	176 Å²	176	146 Å²	146	82%	0.822	76%	0.759	S	S	*	*			trans	-65	98.1	160.4	-78.6	-163	161.7	0	0	108.8	E473	E473-E475 PolarHBondContact O-N 3.2Å
476	F	27.3	Very low	35.7	Very low	200 Å²	200	144.8 Å²	144.8	88%	0.877	76%	0.758	S	S	*	*			trans	-137.4	96.6	160.3	-122.5	-90.3	0	0	0	110.6	S474	S474-F476 PolarHBondContact O-N 3.04Å
477	T	29	Very low	34	Very low	126 Å²	126	146.7 Å²	146.7	77%	0.773	78%	0.782	S	S	*	*			trans	-67.3	135.7	168.1	52.3	0	0	0	0	110.5
478	P	31.1	Very low	32.7	Very low	130 Å²	130	151 Å²	151	84%	0.844	80%	0.796	S	S	*	*			trans	-84.6	122.8	177.6	32.2	-28.7	0	0	0	109.4
479	N	28	Very low	31.6	Very low	160 Å²	160	150.9 Å²	150.9	86%	0.856	80%	0.8	S	S	*	*			trans	-114.4	122.4	163.2	-145.9	-1	0	0	0	110.5
480	S	32.3	Very low	30.8	Very low	105 Å²	105	151.6 Å²	151.6	73%	0.734	80%	0.8	S	S	*	*			trans	-73.9	131.8	-179.4	63.6	0	0	0	0	111.5
481	S	28.9	Very low	30.3	Very low	111 Å²	111	151.9 Å²	151.9	78%	0.776	79%	0.794	S	S	*	*			trans	-173.5	118.9	136.6	52.6	0	0	0	0	112.2
482	Q	31.6	Very low	29.9	Very low	195 Å²	195	152.2 Å²	152.2	91%	0.911	79%	0.789	S	S	*	*			trans	-1.4	114.8	156.8	-61.4	176.1	-1.6	0	0	118.4
483	I	27.8	Very low	29.6	Very low	173 Å²	173	152.8 Å²	152.8	89%	0.887	79%	0.786	S	S	*	*			trans	-136.3	143	147	-63.9	-177.3	0	0	0	109.5
484	K	25.9	Very low	29.5	Very low	192 Å²	192	149 Å²	149	84%	0.835	78%	0.775	S	S	*	*			trans	-69.1	154.3	-158.5	-65.8	164.9	174.7	172.7	0	114.5	D486	K484-D486 PolarHBondContact O-N 3.17Å
485	K	35.3	Very low	29.4	Very low	198 Å²	198	150 Å²	150	86%	0.861	78%	0.776	S	S	*	*			trans	-46.7	125.5	155.1	-80	176.1	172.8	174.7	0	109.8
486	D	25.4	Very low	29.4	Very low	154 Å²	154	148.6 Å²	148.6	82%	0.824	77%	0.768	S	S	*	*			trans	-154.9	134.1	142.3	-97.5	-26.3	0	0	0	112.3	K484	K484-D486 PolarHBondContact O-N 3.17Å
487	S	28.4	Very low	29.4	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	76%	0.756	S	S	*	*			trans	37.9	117.1	157.2	61.9	0	0	0	0	121.1
488	H	33.4	Very low	29.6	Very low	142 Å²	142	147 Å²	147	66%	0.657	76%	0.764	S	S	*	*			trans	-44.5	135.8	152.1	-76.8	27.7	0	0	0	113	H490	H488-H490 AromaticContact CD2-CD2 3.99Å
489	D	27.3	Very low	29.6	Very low	131 Å²	131	149 Å²	149	70%	0.701	76%	0.762	S	S	*	*			trans	-143.1	112.4	135.2	-143.4	5.8	0	0	0	107.5	K542	D489-K542 IonicContact OD1-NZ 2.69Å; D489-K542 IonicContact OD2-NZ 3.17Å; D489-K542 PolarHBondContact OD2-NZ 2.84Å
490	H	30.5	Very low	30.1	Very low	119 Å²	119	150.5 Å²	150.5	55%	0.551	76%	0.764	S	S	*	*			trans	-75.3	125.2	178.8	-90.4	-83.7	0	0	0	109.3	H488	H488-H490 AromaticContact CD2-CD2 3.99Å
491	F	25.8	Very low	30.1	Very low	160 Å²	160	153.8 Å²	153.8	70%	0.702	77%	0.768	S	S	*	*			trans	-93.3	106.7	170.3	-152.9	-99.8	0	0	0	107.6	L493 V546	F491-L493 HydrophobicContact CD1-CD1 4.42Å; F491-L493 HydrophobicContact CE1-CD1 4.32Å; F491-V546 HydrophobicContact CZ-CG2 4.48Å
492	Y	30	Very low	30.6	Very low	193 Å²	193	157.7 Å²	157.7	76%	0.757	77%	0.774	S	S	*	*			trans	-81.7	118.9	168.7	-83.5	-88.2	0	0	0	108	T494	Y492-T494 PolarHBondContact O-N 2.94Å
493	L	26.7	Very low	31	Very low	148 Å²	148	157.5 Å²	157.5	78%	0.775	77%	0.773	S	S	*	*			trans	-82.3	94.8	160.8	-133.1	103	0	0	0	106.7	F491	F491-L493 HydrophobicContact CD1-CD1 4.42Å; F491-L493 HydrophobicContact CE1-CD1 4.32Å
494	T	30.1	Very low	32.2	Very low	89 Å²	89	155 Å²	155	55%	0.546	76%	0.757	S	S	.	*			trans	-82.4	110.8	168.7	31.1	0	0	0	0	108.8	Y492 F496	Y492-T494 PolarHBondContact O-N 2.94Å; T494-F496 HydrophobicContact CG2-CD2 4.39Å; T494-F496 HydrophobicContact CG2-CE2 3.64Å; T494-F496 HydrophobicContact CG2-CZ 3.84Å; T494-F496 WeakPolarHBondContact OG1-CE2 3.25Å
495	V	28.2	Very low	34.2	Very low	137 Å²	137	154.4 Å²	154.4	83%	0.83	76%	0.758	S	S	*	*			trans	-81	110.5	160.5	-175.2	0	0	0	0	105.8
496	F	33.7	Very low	36.6	Very low	147 Å²	147	149.1 Å²	149.1	65%	0.645	74%	0.736	S	S	*	*			trans	-98.8	149.9	178	-83.3	-71.9	0	0	0	111.9	T494	T494-F496 HydrophobicContact CG2-CD2 4.39Å; T494-F496 HydrophobicContact CG2-CE2 3.64Å; T494-F496 HydrophobicContact CG2-CZ 3.84Å; T494-F496 WeakPolarHBondContact OG1-CE2 3.25Å
497	S	28.5	Very low	39.5	Very low	92 Å²	92	143.3 Å²	143.3	64%	0.643	71%	0.706	S	S	*	*			trans	-38.2	135.3	164.2	45.2	0	0	0	0	114.6	E499	S497-E499 PolarHBondContact O-N 2.79Å; S497-E499 VanDerWaalsContact O-N 3.16Å
498	E	32.5	Very low	42.3	Very low	201 Å²	201	141 Å²	141	94%	0.939	69%	0.694	S	S	*	*			trans	-66.5	101.8	162.3	-68.5	169.9	175.7	0	0	109.1
499	E	30.6	Very low	45	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	67%	0.674	S	S	*	*			trans	-97.7	127.2	148.8	-74.5	-175.9	168.8	0	0	106.3	S497 E501	S497-E499 PolarHBondContact O-N 2.79Å; S497-E499 VanDerWaalsContact O-N 3.16Å; E499-E501 PolarHBondContact O-N 2.88Å
500	E	38.5	Very low	48.1	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	67%	0.666	S	S	*	*			trans	-61.6	101.9	179.6	-69.5	175.2	159.1	0	0	110.5
501	E	33.1	Very low	50.6	Low	174 Å²	174	139.5 Å²	139.5	81%	0.813	69%	0.686	S	S	*	*			trans	-116.8	134.4	157.4	-73.9	-168.8	163	0	0	108	E499 E503	E499-E501 PolarHBondContact O-N 2.88Å; E501-E503 PolarHBondContact O-N 3.05Å
502	E	38.3	Very low	53.4	Low	194 Å²	194	135.8 Å²	135.8	91%	0.907	69%	0.693	S	S	*	*			trans	-38.4	119.2	-178.2	-66.6	174.2	150	0	0	112.3	E504	E502-E504 PolarHBondContact O-N 2.81Å
503	E	41.7	Very low	56.3	Low	191 Å²	191	127.7 Å²	127.7	89%	0.893	66%	0.662	S	S	*	*			trans	-61.3	91.1	178.4	-76.7	-177.8	155.7	0	0	110.8	E501 E505	E501-E503 PolarHBondContact O-N 3.05Å; E503-E505 PolarHBondContact O-N 2.98Å; E503-E505 VanDerWaalsContact O-N 3.07Å
504	E	51.8	Low	59.5	Low	120 Å²	120	123.9 Å²	123.9	56%	0.561	65%	0.645	S	S	*	*			trans	-68.7	94.7	158	-80.7	-172.1	163.3	0	0	107.5	E502 H506 Y525 K528	E502-E504 PolarHBondContact O-N 2.81Å; E504-H506 PolarHBondContact O-N 2.89Å; E504-Y525 HydrophobicContact CB-CE2 4.41Å; E504-Y525 PolarHBondContact O-OH 2.96Å; E504-K528 IonicContact OE1-NZ 3.72Å; E504-K528 PolarHBondContact OE1-NZ 2.84Å; E504-K528 IonicContact OE2-NZ 3.59Å; E504-K528 PolarHBondContact OE2-NZ 2.91Å
505	E	68.3	Low	62.2	Low	180 Å²	180	121.9 Å²	121.9	84%	0.841	63%	0.63	S	S	*	*			trans	-41.8	132.1	175.6	-82.1	-176.9	156.8	0	0	111.9	E503	E503-E505 PolarHBondContact O-N 2.98Å; E503-E505 VanDerWaalsContact O-N 3.07Å
506	H	85.2	Confident	65.2	Low	86 Å²	86	119.4 Å²	119.4	40%	0.398	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-59.6	140.7	178.5	-65.6	-42	0	0	0	111.1	E504 A508 Y525 W526 F554	E504-H506 PolarHBondContact O-N 2.89Å; H506-A508 PolarHBondContact O-N 2.92Å; H506-A508 VanDerWaalsContact O-N 3.12Å; H506-Y525 AromaticContact ND1-CE1 3.51Å; H506-Y525 AromaticContact ND1-CZ 3.56Å; H506-Y525 PolarHBondContact ND1-OH 3.1Å; H506-W526 HydrophobicContact CB-CH2 4.15Å; H506-W526 HydrophobicContact CB-CZ2 4.4Å; H506-W526 AromaticContact CG-CH2 3.78Å; H506-W526 AromaticContact ND1-CH2 3.69Å; H506-W526 AromaticContact ND1-CZ3 3.93Å; H506-F554 HydrophobicContact CB-CD2 4.04Å; H506-F554 HydrophobicContact CB-CE1 4.19Å; H506-F554 HydrophobicContact CB-CE2 3.48Å; H506-F554 VanDerWaalsContact CB-CE2 3.48Å; H506-F554 HydrophobicContact CB-CZ 3.55Å; H506-F554 AromaticContact CD2-CD2 3.83Å; H506-F554 AromaticContact CD2-CE2 3.63Å; H506-F554 AromaticContact CG-CE2 3.88Å
507	P	87.3	Confident	67.8	Low	32 Å²	32	116.5 Å²	116.5	21%	0.208	61%	0.607	C	S	.	*	P	Polyproline II helix	trans	-61.2	118.4	178.7	-18.9	28.4	0	0	0	111	Y518 T522 Y525 F554	P507-Y518 VanDerWaalsContact O-CE2 3.31Å; P507-Y518 WeakPolarHBondContact O-CE2 3.25Å; P507-Y518 PolarHBondContact O-OH 2.86Å; P507-T522 HydrophobicContact CB-CG2 3.62Å; P507-T522 HydrophobicContact CG-CG2 4.02Å; P507-Y525 HydrophobicContact CG-CD1 3.69Å; P507-Y525 HydrophobicContact CG-CD2 4.15Å; P507-Y525 HydrophobicContact CG-CE1 4.14Å; P507-Y525 HydrophobicContact CG-CG 3.7Å; P507-F554 WeakPolarHBondContact O-CE1 3.44Å
508	A	87.8	Confident	70.9	Confident	63 Å²	63	112.1 Å²	112.1	52%	0.521	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-62.4	151.4	178.3	0	0	0	0	0	112.8	H506 R521	H506-A508 PolarHBondContact O-N 2.92Å; H506-A508 VanDerWaalsContact O-N 3.12Å; A508-R521 PolarHBondContact O-NH2 2.93Å
509	V	89.9	Confident	73.6	Confident	39 Å²	39	104.3 Å²	104.3	24%	0.236	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-73.6	130.7	171.9	-177.7	0	0	0	0	108.9	E513 Y518 Y555 Q558	V509-E513 HydrophobicContact CG1-CB 4.49Å; V509-Y518 HydrophobicContact CB-CD2 4.44Å; V509-Y518 HydrophobicContact CB-CE2 4.49Å; V509-Y518 HydrophobicContact CG2-CD2 3.98Å; V509-Y518 HydrophobicContact CG2-CE2 3.82Å; V509-Y555 HydrophobicContact CB-CD2 4.38Å; V509-Y555 HydrophobicContact CG1-CD2 3.7Å; V509-Y555 HydrophobicContact CG1-CE2 3.54Å; V509-Y555 HydrophobicContact CG2-CD2 3.69Å; V509-Y555 HydrophobicContact CG2-CE2 4.4Å; V509-Y555 HydrophobicContact CG2-CG 4.28Å; V509-Q558 HydrophobicContact CB-CB 4.31Å; V509-Q558 HydrophobicContact CG2-CB 3.87Å; V509-Q558 HydrophobicContact CG2-CG 4.03Å
510	Q	90.9	Very high	76.5	Confident	114 Å²	114	101 Å²	101	53%	0.533	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-84.1	148.5	178.4	-65	179.9	-2.6	0	0	110.9	G512 E513	Q510-G512 PolarHBondContact O-N 2.96Å; Q510-G512 VanDerWaalsContact O-N 3.16Å; Q510-E513 HydrophobicContact CB-CB 4.12Å; Q510-E513 PolarHBondContact N-OE2 2.78Å; Q510-E513 WeakPolarHBondContact O-CB 3.1Å; Q510-E513 PolarHBondContact O-N 3.23Å
511	E	83.1	Confident	79.1	Confident	208 Å²	208	96.7 Å²	96.7	97%	0.972	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	118.6	-177.3	-165.4	176.9	-176.7	0	0	111.3	E513	E511-E513 VanDerWaalsContact C-N 3.34Å
512	G	85.4	Confident	82	Confident	81 Å²	81	88.6 Å²	88.6	84%	0.835	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	6	-177.9	0	0	0	0	0	115.7	Q510	Q510-G512 PolarHBondContact O-N 2.96Å; Q510-G512 VanDerWaalsContact O-N 3.16Å
513	E	91.4	Very high	84.5	Confident	24 Å²	24	84.2 Å²	84.2	11%	0.112	45%	0.445	C	S	.	.			trans	-68.9	137.6	174.3	-170.8	170.9	-147.4	0	0	110.6	V509 Q510 E511 D517 Y518 R521 Y555	V509-E513 HydrophobicContact CG1-CB 4.49Å; Q510-E513 HydrophobicContact CB-CB 4.12Å; Q510-E513 PolarHBondContact N-OE2 2.78Å; Q510-E513 WeakPolarHBondContact O-CB 3.1Å; Q510-E513 PolarHBondContact O-N 3.23Å; E511-E513 VanDerWaalsContact C-N 3.34Å; E513-D517 HydrophobicContact CG-CB 3.84Å; E513-Y518 WeakPolarHBondContact OE1-CA 3.46Å; E513-Y518 PolarHBondContact OE1-N 3.18Å; E513-Y518 WeakPolarHBondContact OE2-CD2 3.33Å; E513-R521 IonicContact OE1-CZ 3.52Å; E513-R521 IonicContact OE1-NE 2.78Å; E513-R521 PolarHBondContact OE1-NE 3.43Å; E513-R521 IonicContact OE1-NH2 3.23Å; E513-R521 PolarHBondContact OE1-NH2 3.31Å; E513-R521 IonicContact OE2-CZ 2.66Å; E513-R521 IonicContact OE2-NE 2.97Å; E513-R521 IonicContact OE2-NH2 2.75Å; E513-R521 PolarHBondContact OE2-NH2 2.86Å; E513-Y555 PolarHBondContact O-OH 3.29Å
514	T	92.6	Very high	86.8	Confident	67 Å²	67	79.8 Å²	79.8	41%	0.411	43%	0.433	S	S	.	.			trans	-85	157.1	174.1	73.8	0	0	0	0	110.7	T516 D517 Y518	T514-T516 PolarHBondContact O-N 3.36Å; T514-T516 VanDerWaalsContact O-N 3.13Å; T514-D517 PolarHBondContact O-N 3.01Å; T514-D517 PolarHBondContact OG1-N 2.89Å; T514-D517 PolarHBondContact OG1-OD2 3.47Å; T514-Y518 PolarHBondContact O-N 3.02Å
515	L	87.4	Confident	88.8	Confident	47 Å²	47	76 Å²	76	25%	0.246	41%	0.414	C	S	.	.	H	α-helix	trans	-51.7	-39.1	175.7	174.4	62.5	0	0	0	112.5	Q519 K552 Y555	L515-Q519 HydrophobicContact CD1-CG 4.06Å; L515-Q519 HydrophobicContact CG-CG 4.49Å; L515-Q519 WeakPolarHBondContact O-CB 3.47Å; L515-Q519 WeakPolarHBondContact O-CG 3.42Å; L515-Q519 PolarHBondContact O-N 3.2Å; L515-K552 HydrophobicContact CD1-CB 4.21Å; L515-K552 HydrophobicContact CD1-CG 4.11Å; L515-K552 HydrophobicContact CD2-CD 4.28Å; L515-K552 HydrophobicContact CD2-CG 4.01Å; L515-Y555 HydrophobicContact CB-CD1 4.04Å; L515-Y555 HydrophobicContact CB-CE1 3.89Å; L515-Y555 HydrophobicContact CB-CG 4.48Å; L515-Y555 HydrophobicContact CD1-CD1 3.73Å; L515-Y555 HydrophobicContact CD1-CD2 4.39Å; L515-Y555 HydrophobicContact CD1-CE1 4.45Å; L515-Y555 HydrophobicContact CD1-CG 3.72Å; L515-Y555 HydrophobicContact CG-CD1 4.42Å; L515-Y555 PolarHBondContact N-OH 2.94Å
516	T	90.6	Very high	89.8	Confident	85 Å²	85	67.7 Å²	67.7	52%	0.521	38%	0.375	S	S	.	.	H	α-helix	trans	-68.2	-40.1	178.9	-55.9	0	0	0	0	111.9	T514 N520	T514-T516 PolarHBondContact O-N 3.36Å; T514-T516 VanDerWaalsContact O-N 3.13Å; T516-N520 WeakPolarHBondContact O-CB 3.5Å; T516-N520 PolarHBondContact O-N 3.02Å; T516-N520 VanDerWaalsContact O-N 3.08Å; T516-N520 PolarHBondContact O-ND2 2.93Å
517	D	90	Very high	90.1	Very high	86 Å²	86	65.4 Å²	65.4	46%	0.46	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-42.3	177.8	-61.7	-40.9	0	0	0	111.3	E513 T514 N520 R521	E513-D517 HydrophobicContact CG-CB 3.84Å; T514-D517 PolarHBondContact O-N 3.01Å; T514-D517 PolarHBondContact OG1-N 2.89Å; T514-D517 PolarHBondContact OG1-OD2 3.47Å; D517-N520 PolarHBondContact O-N 2.86Å; D517-R521 WeakPolarHBondContact O-CB 3.48Å; D517-R521 PolarHBondContact O-N 3.02Å
518	Y	92.4	Very high	90.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-49.6	174.8	179.5	-101.6	0	0	0	111.5	P507 V509 E513 T514 N520 R521 T522 W526 A551 F554 Y555	P507-Y518 VanDerWaalsContact O-CE2 3.31Å; P507-Y518 WeakPolarHBondContact O-CE2 3.25Å; P507-Y518 PolarHBondContact O-OH 2.86Å; V509-Y518 HydrophobicContact CB-CD2 4.44Å; V509-Y518 HydrophobicContact CB-CE2 4.49Å; V509-Y518 HydrophobicContact CG2-CD2 3.98Å; V509-Y518 HydrophobicContact CG2-CE2 3.82Å; E513-Y518 WeakPolarHBondContact OE1-CA 3.46Å; E513-Y518 PolarHBondContact OE1-N 3.18Å; E513-Y518 WeakPolarHBondContact OE2-CD2 3.33Å; T514-Y518 PolarHBondContact O-N 3.02Å; Y518-N520 PolarHBondContact O-N 2.86Å; Y518-R521 PolarHBondContact O-N 2.87Å; Y518-T522 HydrophobicContact CD2-CG2 4.04Å; Y518-T522 HydrophobicContact CE2-CG2 3.7Å; Y518-T522 WeakPolarHBondContact O-CB 3.33Å; Y518-T522 WeakPolarHBondContact O-CG2 3.49Å; Y518-T522 PolarHBondContact O-N 2.98Å; Y518-T522 PolarHBondContact O-OG1 3.11Å; Y518-W526 AromaticContact CE1-NE1 3.8Å; Y518-W526 AromaticContact CZ-NE1 3.93Å; Y518-W526 WeakPolarHBondContact OH-CZ2 3.32Å; Y518-W526 PolarHBondContact OH-NE1 2.85Å; Y518-A551 HydrophobicContact CD1-CB 4.49Å; Y518-A551 HydrophobicContact CE1-CB 4.18Å; Y518-A551 WeakPolarHBondContact CE1-O 3.47Å; Y518-F554 HydrophobicContact CE1-CD1 4.47Å; Y518-F554 AromaticContact CZ-CD1 3.92Å; Y518-F554 WeakPolarHBondContact OH-CD1 3.5Å; Y518-Y555 AromaticContact CD1-CD2 3.87Å; Y518-Y555 HydrophobicContact CD1-CD2 3.87Å; Y518-Y555 HydrophobicContact CD1-CG 4.27Å; Y518-Y555 HydrophobicContact CD2-CD2 4.3Å; Y518-Y555 AromaticContact CG-CD2 3.67Å; Y518-Y555 HydrophobicContact CG-CD2 3.67Å; Y518-Y555 HydrophobicContact CG-CE2 4.47Å
519	Q	90	Very high	90.1	Very high	37 Å²	37	68.8 Å²	68.8	17%	0.173	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-44.5	178.6	-78.2	176.3	-21.2	0	0	112	L515 E523 V548 A551	L515-Q519 HydrophobicContact CD1-CG 4.06Å; L515-Q519 HydrophobicContact CG-CG 4.49Å; L515-Q519 WeakPolarHBondContact O-CB 3.47Å; L515-Q519 WeakPolarHBondContact O-CG 3.42Å; L515-Q519 PolarHBondContact O-N 3.2Å; Q519-E523 WeakPolarHBondContact O-CA 3.33Å; Q519-E523 WeakPolarHBondContact O-CB 3.42Å; Q519-E523 PolarHBondContact O-N 3.27Å; Q519-V548 PolarHBondContact NE2-O 3.39Å; Q519-A551 HydrophobicContact CG-CB 3.98Å
520	N	90.6	Very high	89.9	Confident	103 Å²	103	67 Å²	67	55%	0.551	36%	0.357	S	S	*	.	H	α-helix	trans	-67	-41.3	179.6	-70.3	-29.4	0	0	0	112.2	T516 D517 Y518	T516-N520 WeakPolarHBondContact O-CB 3.5Å; T516-N520 PolarHBondContact O-N 3.02Å; T516-N520 VanDerWaalsContact O-N 3.08Å; T516-N520 PolarHBondContact O-ND2 2.93Å; D517-N520 PolarHBondContact O-N 2.86Å; Y518-N520 PolarHBondContact O-N 2.86Å
521	R	93.9	Very high	89.8	Confident	99 Å²	99	65.7 Å²	65.7	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-36.9	-179.8	-179	175.7	60.3	81.2	-6.2	112.2	A508 E513 D517 Y518	A508-R521 PolarHBondContact O-NH2 2.93Å; E513-R521 IonicContact OE1-CZ 3.52Å; E513-R521 IonicContact OE1-NE 2.78Å; E513-R521 PolarHBondContact OE1-NE 3.43Å; E513-R521 IonicContact OE1-NH2 3.23Å; E513-R521 PolarHBondContact OE1-NH2 3.31Å; E513-R521 IonicContact OE2-CZ 2.66Å; E513-R521 IonicContact OE2-NE 2.97Å; E513-R521 IonicContact OE2-NH2 2.75Å; E513-R521 PolarHBondContact OE2-NH2 2.86Å; D517-R521 WeakPolarHBondContact O-CB 3.48Å; D517-R521 PolarHBondContact O-N 3.02Å; Y518-R521 PolarHBondContact O-N 2.87Å
522	T	93.8	Very high	89.7	Confident	4 Å²	4	59 Å²	59	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-100.2	-0.1	-173.1	62.6	0	0	0	0	113.5	P507 Y518 P524 Y525 W526	P507-T522 HydrophobicContact CB-CG2 3.62Å; P507-T522 HydrophobicContact CG-CG2 4.02Å; Y518-T522 HydrophobicContact CD2-CG2 4.04Å; Y518-T522 HydrophobicContact CE2-CG2 3.7Å; Y518-T522 WeakPolarHBondContact O-CB 3.33Å; Y518-T522 WeakPolarHBondContact O-CG2 3.49Å; Y518-T522 PolarHBondContact O-N 2.98Å; Y518-T522 PolarHBondContact O-OG1 3.11Å; T522-P524 VanDerWaalsContact C-CD 3.46Å; T522-Y525 WeakPolarHBondContact O-CB 3.38Å; T522-Y525 PolarHBondContact O-N 3.12Å; T522-W526 VanDerWaalsContact CB-CD1 3.44Å; T522-W526 VanDerWaalsContact O-CD1 3.23Å; T522-W526 PolarHBondContact O-N 2.69Å; T522-W526 PolarHBondContact OG1-NE1 3.24Å
523	E	91.1	Very high	89.3	Confident	103 Å²	103	60 Å²	60	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-48.2	-47.7	-179.2	-176.2	-179.1	-167.3	0	0	113.4	Q519 Y525 W526 V527	Q519-E523 WeakPolarHBondContact O-CA 3.33Å; Q519-E523 WeakPolarHBondContact O-CB 3.42Å; Q519-E523 PolarHBondContact O-N 3.27Å; E523-Y525 VanDerWaalsContact C-N 3.28Å; E523-Y525 PolarHBondContact O-N 2.96Å; E523-W526 PolarHBondContact O-N 3.41Å; E523-V527 HydrophobicContact CG-CG2 4Å; E523-V527 VanDerWaalsContact O-CB 3.31Å; E523-V527 WeakPolarHBondContact O-CB 3.29Å; E523-V527 WeakPolarHBondContact O-CG2 3.33Å; E523-V527 PolarHBondContact O-N 3.43Å
524	P	90.6	Very high	88.9	Confident	98 Å²	98	62.4 Å²	62.4	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-63	-35	-178.7	-21.8	34.4	0	0	0	113.2	T522 K528	T522-P524 VanDerWaalsContact C-CD 3.46Å; P524-K528 WeakPolarHBondContact O-CB 3.28Å; P524-K528 PolarHBondContact O-N 3.5Å; P524-K528 VanDerWaalsContact O-N 3.11Å
525	Y	92.4	Very high	87.9	Confident	40 Å²	40	60.3 Å²	60.3	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-52.7	177.6	174.8	-91.1	0	0	0	110.5	E504 H506 P507 T522 E523 V527 K528 L529	E504-Y525 HydrophobicContact CB-CE2 4.41Å; E504-Y525 PolarHBondContact O-OH 2.96Å; H506-Y525 AromaticContact ND1-CE1 3.51Å; H506-Y525 AromaticContact ND1-CZ 3.56Å; H506-Y525 PolarHBondContact ND1-OH 3.1Å; P507-Y525 HydrophobicContact CG-CD1 3.69Å; P507-Y525 HydrophobicContact CG-CD2 4.15Å; P507-Y525 HydrophobicContact CG-CE1 4.14Å; P507-Y525 HydrophobicContact CG-CG 3.7Å; T522-Y525 WeakPolarHBondContact O-CB 3.38Å; T522-Y525 PolarHBondContact O-N 3.12Å; E523-Y525 VanDerWaalsContact C-N 3.28Å; E523-Y525 PolarHBondContact O-N 2.96Å; Y525-V527 VanDerWaalsContact C-N 3.3Å; Y525-V527 PolarHBondContact O-N 3.34Å; Y525-K528 WeakPolarHBondContact O-CB 3.48Å; Y525-K528 PolarHBondContact O-N 3.41Å; Y525-L529 HydrophobicContact CE1-CD2 4.07Å; Y525-L529 PolarHBondContact O-N 2.98Å
526	W	89.9	Confident	87.4	Confident	6 Å²	6	63.4 Å²	63.4	2%	0.023	34%	0.341	C	S	.	.	H	α-helix	trans	-67.3	-30.3	-178.3	-66.1	113.3	0	0	0	112.8	H506 Y518 T522 E523 L529 A530 A547 M550 A551 F554	H506-W526 HydrophobicContact CB-CH2 4.15Å; H506-W526 HydrophobicContact CB-CZ2 4.4Å; H506-W526 AromaticContact CG-CH2 3.78Å; H506-W526 AromaticContact ND1-CH2 3.69Å; H506-W526 AromaticContact ND1-CZ3 3.93Å; Y518-W526 AromaticContact CE1-NE1 3.8Å; Y518-W526 AromaticContact CZ-NE1 3.93Å; Y518-W526 WeakPolarHBondContact OH-CZ2 3.32Å; Y518-W526 PolarHBondContact OH-NE1 2.85Å; T522-W526 VanDerWaalsContact CB-CD1 3.44Å; T522-W526 VanDerWaalsContact O-CD1 3.23Å; T522-W526 PolarHBondContact O-N 2.69Å; T522-W526 PolarHBondContact OG1-NE1 3.24Å; E523-W526 PolarHBondContact O-N 3.41Å; W526-L529 HydrophobicContact CE3-CD2 3.92Å; W526-L529 HydrophobicContact CZ3-CD2 3.76Å; W526-A530 WeakPolarHBondContact O-CB 3.36Å; W526-A530 PolarHBondContact O-N 3.25Å; W526-A547 VanDerWaalsContact C-CB 3.46Å; W526-A547 HydrophobicContact CB-CB 3.93Å; W526-A547 WeakPolarHBondContact O-CB 3.37Å; W526-M550 HydrophobicContact CD2-CB 4.35Å; W526-M550 HydrophobicContact CE3-CB 3.61Å; W526-M550 HydrophobicContact CE3-CE 4.09Å; W526-M550 HydrophobicContact CZ3-CB 3.96Å; W526-M550 HydrophobicContact CZ3-CE 4.1Å; W526-A551 HydrophobicContact CB-CB 4.47Å; W526-A551 VanDerWaalsContact CD1-CB 3.4Å; W526-A551 HydrophobicContact CD2-CB 4.14Å; W526-A551 HydrophobicContact CG-CB 3.78Å; W526-F554 HydrophobicContact CH2-CB 3.69Å; W526-F554 HydrophobicContact CH2-CD1 4.47Å; W526-F554 HydrophobicContact CH2-CD2 4.07Å; W526-F554 AromaticContact CH2-CG 3.82Å; W526-F554 HydrophobicContact CH2-CG 3.82Å; W526-F554 HydrophobicContact CZ2-CB 3.71Å; W526-F554 HydrophobicContact CZ2-CD1 4.02Å; W526-F554 HydrophobicContact CZ2-CD2 4.42Å; W526-F554 AromaticContact CZ2-CG 3.78Å; W526-F554 HydrophobicContact CZ2-CG 3.78Å
527	V	90.4	Very high	87	Confident	37 Å²	37	67 Å²	67	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-70.1	-40.1	173	170.7	0	0	0	0	111.6	E523 Y525 R531 V543 A547	E523-V527 HydrophobicContact CG-CG2 4Å; E523-V527 VanDerWaalsContact O-CB 3.31Å; E523-V527 WeakPolarHBondContact O-CB 3.29Å; E523-V527 WeakPolarHBondContact O-CG2 3.33Å; E523-V527 PolarHBondContact O-N 3.43Å; Y525-V527 VanDerWaalsContact C-N 3.3Å; Y525-V527 PolarHBondContact O-N 3.34Å; V527-R531 WeakPolarHBondContact O-CB 3.34Å; V527-R531 PolarHBondContact O-N 3.32Å; V527-V543 HydrophobicContact CG1-CG1 4.13Å; V527-A547 HydrophobicContact CB-CB 4.3Å; V527-A547 HydrophobicContact CG2-CB 3.59Å
528	K	88.7	Confident	86.5	Confident	122 Å²	122	63.7 Å²	63.7	53%	0.53	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-50	173.9	-179.5	-169.4	170.5	-159.7	0	110.1	E504 P524 Y525 R531 A532	E504-K528 IonicContact OE1-NZ 3.72Å; E504-K528 PolarHBondContact OE1-NZ 2.84Å; E504-K528 IonicContact OE2-NZ 3.59Å; E504-K528 PolarHBondContact OE2-NZ 2.91Å; P524-K528 WeakPolarHBondContact O-CB 3.28Å; P524-K528 PolarHBondContact O-N 3.5Å; P524-K528 VanDerWaalsContact O-N 3.11Å; Y525-K528 WeakPolarHBondContact O-CB 3.48Å; Y525-K528 PolarHBondContact O-N 3.41Å; K528-R531 PolarHBondContact O-N 3.41Å; K528-A532 PolarHBondContact O-N 2.84Å
529	L	87.5	Confident	86.3	Confident	45 Å²	45	71.4 Å²	71.4	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-43.5	-179.9	-171.6	63.5	0	0	0	112.1	Y525 W526 R531 A532 N533 M550	Y525-L529 HydrophobicContact CE1-CD2 4.07Å; Y525-L529 PolarHBondContact O-N 2.98Å; W526-L529 HydrophobicContact CE3-CD2 3.92Å; W526-L529 HydrophobicContact CZ3-CD2 3.76Å; L529-R531 VanDerWaalsContact C-N 3.29Å; L529-R531 PolarHBondContact O-N 3.46Å; L529-A532 PolarHBondContact O-N 3.24Å; L529-N533 VanDerWaalsContact O-CG 3.3Å; L529-N533 PolarHBondContact O-N 2.87Å; L529-M550 HydrophobicContact CD2-CE 3.56Å; L529-M550 HydrophobicContact CG-CE 3.81Å
530	A	86.4	Confident	86	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-61.5	-36.6	174.3	0	0	0	0	0	112.1	W526 N533 M534 V543 V546 A547 M550	W526-A530 WeakPolarHBondContact O-CB 3.36Å; W526-A530 PolarHBondContact O-N 3.25Å; A530-N533 PolarHBondContact O-N 3.21Å; A530-M534 VanDerWaalsContact O-CB 3.26Å; A530-M534 WeakPolarHBondContact O-CB 3.33Å; A530-M534 WeakPolarHBondContact O-CG 3.12Å; A530-M534 PolarHBondContact O-N 2.94Å; A530-V543 HydrophobicContact CB-CG1 3.95Å; A530-V546 HydrophobicContact CB-CB 4.23Å; A530-V546 HydrophobicContact CB-CG1 3.97Å; A530-A547 HydrophobicContact CB-CB 4.04Å; A530-M550 HydrophobicContact CB-SD 4.01Å
531	R	88	Confident	85.6	Confident	88 Å²	88	77.8 Å²	77.8	33%	0.332	40%	0.402	S	S	.	.	H	α-helix	trans	-71.5	-37.7	177	-168	169.9	-64.3	-113.2	-0.7	112.4	V527 K528 L529 N533 M534 G535 D540 V543	V527-R531 WeakPolarHBondContact O-CB 3.34Å; V527-R531 PolarHBondContact O-N 3.32Å; K528-R531 PolarHBondContact O-N 3.41Å; L529-R531 VanDerWaalsContact C-N 3.29Å; L529-R531 PolarHBondContact O-N 3.46Å; R531-N533 VanDerWaalsContact C-N 3.34Å; R531-M534 PolarHBondContact O-N 2.69Å; R531-G535 CarbonylContact O-C 3.49Å; R531-G535 PolarHBondContact O-N 2.89Å; R531-D540 IonicContact CZ-OD1 3.76Å; R531-D540 VanDerWaalsContact CZ-OD1 3.28Å; R531-D540 IonicContact NH1-OD1 2.96Å; R531-D540 PolarHBondContact NH1-OD1 2.93Å; R531-D540 IonicContact NH2-OD1 3.5Å; R531-D540 PolarHBondContact NH2-OD1 2.84Å; R531-V543 HydrophobicContact CB-CG1 3.92Å
532	A	80.9	Confident	84.7	Confident	68 Å²	68	77.7 Å²	77.7	56%	0.562	41%	0.405	S	S	*	.	H	α-helix	trans	-59.6	-47.5	172.1	0	0	0	0	0	110.5	K528 L529 M534 G535	K528-A532 PolarHBondContact O-N 2.84Å; L529-A532 PolarHBondContact O-N 3.24Å; A532-M534 PolarHBondContact O-N 2.91Å; A532-G535 PolarHBondContact O-N 3.34Å
533	N	76.6	Confident	84.3	Confident	100 Å²	100	77.5 Å²	77.5	54%	0.535	40%	0.404	S	S	.	.	H	α-helix	trans	-68.5	-32.4	-179.7	-68.9	-11.4	0	0	0	114	L529 A530 R531	L529-N533 VanDerWaalsContact O-CG 3.3Å; L529-N533 PolarHBondContact O-N 2.87Å; A530-N533 PolarHBondContact O-N 3.21Å; R531-N533 VanDerWaalsContact C-N 3.34Å
534	M	83.1	Confident	83.8	Confident	75 Å²	75	74.5 Å²	74.5	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-92.2	-9.3	-178.3	-65.3	-175.2	76.9	0	0	114	A530 R531 A532 A538 K542 V543 V546	A530-M534 VanDerWaalsContact O-CB 3.26Å; A530-M534 WeakPolarHBondContact O-CB 3.33Å; A530-M534 WeakPolarHBondContact O-CG 3.12Å; A530-M534 PolarHBondContact O-N 2.94Å; R531-M534 PolarHBondContact O-N 2.69Å; A532-M534 PolarHBondContact O-N 2.91Å; M534-A538 HydrophobicContact CB-CB 3.61Å; M534-A538 HydrophobicContact CE-CB 4.41Å; M534-K542 HydrophobicContact CE-CB 3.98Å; M534-V543 HydrophobicContact SD-CB 4.49Å; M534-V543 HydrophobicContact SD-CG2 4.07Å; M534-V546 HydrophobicContact CE-CG2 4.21Å; M534-V546 HydrophobicContact SD-CB 3.9Å; M534-V546 HydrophobicContact SD-CG1 4.27Å; M534-V546 HydrophobicContact SD-CG2 3.62Å
535	G	70.9	Confident	83.5	Confident	23 Å²	23	76.9 Å²	76.9	24%	0.237	40%	0.397	C	S	.	.			trans	82.5	161.1	-175	0	0	0	0	0	114.4	R531 A532 D537 A538	R531-G535 CarbonylContact O-C 3.49Å; R531-G535 PolarHBondContact O-N 2.89Å; A532-G535 PolarHBondContact O-N 3.34Å; G535-D537 VanDerWaalsContact C-N 3.26Å; G535-D537 PolarHBondContact O-N 3.17Å; G535-A538 WeakPolarHBondContact O-CB 3.28Å; G535-A538 PolarHBondContact O-N 2.69Å
536	P	78.1	Confident	82.8	Confident	112 Å²	112	76.3 Å²	76.3	73%	0.727	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	-170.8	25.5	-34.4	0	0	0	114.2	A538	P536-A538 VanDerWaalsContact C-N 3.33Å
537	D	81.2	Confident	82.7	Confident	160 Å²	160	76.1 Å²	76.1	86%	0.856	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.6	-178.3	-61.2	-40.9	0	0	0	113.5	G535	G535-D537 VanDerWaalsContact C-N 3.26Å; G535-D537 PolarHBondContact O-N 3.17Å
538	A	81.1	Confident	82.5	Confident	18 Å²	18	77.9 Å²	77.9	15%	0.149	41%	0.408	C	S	.	.	S	Bend	trans	-66.9	133.2	179.9	0	0	0	0	0	112	M534 G535 P536 D540 V543	M534-A538 HydrophobicContact CB-CB 3.61Å; M534-A538 HydrophobicContact CE-CB 4.41Å; G535-A538 WeakPolarHBondContact O-CB 3.28Å; G535-A538 PolarHBondContact O-N 2.69Å; P536-A538 VanDerWaalsContact C-N 3.33Å; A538-D540 PolarHBondContact O-N 3.21Å; A538-V543 HydrophobicContact CB-CG2 3.62Å
539	K	87.4	Confident	82.3	Confident	162 Å²	162	74.2 Å²	74.2	70%	0.704	40%	0.401	S	S	*	.			trans	-60.5	129.7	177.9	-67	-176	179.8	-179.9	0	110.8	K541 K542 V543	K539-K541 PolarHBondContact O-N 2.84Å; K539-K541 VanDerWaalsContact O-N 3.07Å; K539-K542 WeakPolarHBondContact O-CA 3.36Å; K539-K542 WeakPolarHBondContact O-CB 3.5Å; K539-K542 PolarHBondContact O-N 2.9Å; K539-V543 PolarHBondContact O-N 3.08Å; K539-V543 VanDerWaalsContact O-N 3.1Å
540	D	84.1	Confident	82.3	Confident	105 Å²	105	74.2 Å²	74.2	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-50.5	-40.6	-177.2	-59.9	-24.9	0	0	0	113.7	R531 A538 K542 V543 A544	R531-D540 IonicContact CZ-OD1 3.76Å; R531-D540 VanDerWaalsContact CZ-OD1 3.28Å; R531-D540 IonicContact NH1-OD1 2.96Å; R531-D540 PolarHBondContact NH1-OD1 2.93Å; R531-D540 IonicContact NH2-OD1 3.5Å; R531-D540 PolarHBondContact NH2-OD1 2.84Å; A538-D540 PolarHBondContact O-N 3.21Å; D540-K542 VanDerWaalsContact C-N 3.29Å; D540-K542 PolarHBondContact O-N 3.5Å; D540-V543 PolarHBondContact O-N 3.5Å; D540-A544 WeakPolarHBondContact O-CB 3.03Å; D540-A544 PolarHBondContact O-N 3.48Å
541	K	81.9	Confident	82.3	Confident	168 Å²	168	74.3 Å²	74.3	73%	0.73	40%	0.401	S	S	*	.	H	α-helix	trans	-65.4	-30	178.2	-168.8	175.2	-176.7	176.6	0	113.3	K539 K545	K539-K541 PolarHBondContact O-N 2.84Å; K539-K541 VanDerWaalsContact O-N 3.07Å; K541-K545 WeakPolarHBondContact O-CG 3.32Å; K541-K545 PolarHBondContact O-N 2.93Å
542	K	74.8	Confident	82.3	Confident	98 Å²	98	74.4 Å²	74.4	43%	0.426	40%	0.403	S	S	.	.	H	α-helix	trans	-78	-42.4	174.7	-72.5	-163.8	170.4	-160.4	0	110.4	D489 M534 K539 D540 A544 K545 V546	D489-K542 IonicContact OD1-NZ 2.69Å; D489-K542 IonicContact OD2-NZ 3.17Å; D489-K542 PolarHBondContact OD2-NZ 2.84Å; M534-K542 HydrophobicContact CE-CB 3.98Å; K539-K542 WeakPolarHBondContact O-CA 3.36Å; K539-K542 WeakPolarHBondContact O-CB 3.5Å; K539-K542 PolarHBondContact O-N 2.9Å; D540-K542 VanDerWaalsContact C-N 3.29Å; D540-K542 PolarHBondContact O-N 3.5Å; K542-A544 PolarHBondContact O-N 3.05Å; K542-K545 PolarHBondContact O-N 2.91Å; K542-V546 WeakPolarHBondContact O-CG2 3.41Å; K542-V546 PolarHBondContact O-N 2.82Å
543	V	84.3	Confident	82.5	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-57.8	-46.9	175.3	178.6	0	0	0	0	111.3	V527 A530 R531 M534 A538 K539 D540 K545 V546 A547	V527-V543 HydrophobicContact CG1-CG1 4.13Å; A530-V543 HydrophobicContact CB-CG1 3.95Å; R531-V543 HydrophobicContact CB-CG1 3.92Å; M534-V543 HydrophobicContact SD-CB 4.49Å; M534-V543 HydrophobicContact SD-CG2 4.07Å; A538-V543 HydrophobicContact CB-CG2 3.62Å; K539-V543 PolarHBondContact O-N 3.08Å; K539-V543 VanDerWaalsContact O-N 3.1Å; D540-V543 PolarHBondContact O-N 3.5Å; V543-K545 VanDerWaalsContact C-N 3.33Å; V543-K545 PolarHBondContact O-N 3.41Å; V543-V546 PolarHBondContact O-N 2.78Å; V543-A547 WeakPolarHBondContact O-CB 3.45Å; V543-A547 PolarHBondContact O-N 2.84Å
544	A	82.4	Confident	83	Confident	40 Å²	40	72 Å²	72	33%	0.331	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-38.8	178.5	0	0	0	0	0	112.8	D540 K542 A547 V548	D540-A544 WeakPolarHBondContact O-CB 3.03Å; D540-A544 PolarHBondContact O-N 3.48Å; K542-A544 PolarHBondContact O-N 3.05Å; A544-A547 PolarHBondContact O-N 2.83Å; A544-V548 WeakPolarHBondContact O-CG2 3.48Å; A544-V548 PolarHBondContact O-N 2.8Å; A544-V548 VanDerWaalsContact O-N 3.12Å
545	K	83.7	Confident	83.3	Confident	147 Å²	147	71 Å²	71	64%	0.639	38%	0.375	S	S	*	.	H	α-helix	trans	-66.2	-40.5	176.2	-78.3	-175.2	174.8	-166.6	0	112.5	K541 K542 V543 A549	K541-K545 WeakPolarHBondContact O-CG 3.32Å; K541-K545 PolarHBondContact O-N 2.93Å; K542-K545 PolarHBondContact O-N 2.91Å; V543-K545 VanDerWaalsContact C-N 3.33Å; V543-K545 PolarHBondContact O-N 3.41Å; K545-A549 PolarHBondContact O-N 2.79Å; K545-A549 VanDerWaalsContact O-N 3.17Å
546	V	78	Confident	83.7	Confident	28 Å²	28	75.7 Å²	75.7	17%	0.17	39%	0.39	C	S	.	.	H	α-helix	trans	-68.1	-42.4	177.8	173.3	0	0	0	0	110.3	F491 A530 M534 K542 V543 V548 A549 M550	F491-V546 HydrophobicContact CZ-CG2 4.48Å; A530-V546 HydrophobicContact CB-CB 4.23Å; A530-V546 HydrophobicContact CB-CG1 3.97Å; M534-V546 HydrophobicContact CE-CG2 4.21Å; M534-V546 HydrophobicContact SD-CB 3.9Å; M534-V546 HydrophobicContact SD-CG1 4.27Å; M534-V546 HydrophobicContact SD-CG2 3.62Å; K542-V546 WeakPolarHBondContact O-CG2 3.41Å; K542-V546 PolarHBondContact O-N 2.82Å; V543-V546 PolarHBondContact O-N 2.78Å; V546-V548 PolarHBondContact O-N 2.9Å; V546-A549 WeakPolarHBondContact O-CB 3.45Å; V546-A549 PolarHBondContact O-N 3.18Å; V546-A549 VanDerWaalsContact O-N 3.11Å; V546-M550 HydrophobicContact CG1-CG 4.16Å; V546-M550 HydrophobicContact CG1-SD 3.81Å; V546-M550 VanDerWaalsContact O-CG 3.29Å; V546-M550 WeakPolarHBondContact O-CG 3.38Å; V546-M550 PolarHBondContact O-N 2.84Å
547	A	86.3	Confident	83.7	Confident	3 Å²	3	76.3 Å²	76.3	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-56.4	-46.1	175.2	0	0	0	0	0	112.8	W526 V527 A530 V543 A544 A549 M550 A551	W526-A547 VanDerWaalsContact C-CB 3.46Å; W526-A547 HydrophobicContact CB-CB 3.93Å; W526-A547 WeakPolarHBondContact O-CB 3.37Å; V527-A547 HydrophobicContact CB-CB 4.3Å; V527-A547 HydrophobicContact CG2-CB 3.59Å; A530-A547 HydrophobicContact CB-CB 4.04Å; V543-A547 WeakPolarHBondContact O-CB 3.45Å; V543-A547 PolarHBondContact O-N 2.84Å; A544-A547 PolarHBondContact O-N 2.83Å; A547-A549 VanDerWaalsContact C-N 3.32Å; A547-A549 PolarHBondContact O-N 3.32Å; A547-M550 PolarHBondContact O-N 3.46Å; A547-A551 WeakPolarHBondContact O-CB 3.22Å; A547-A551 PolarHBondContact O-N 2.81Å
548	V	86.2	Confident	83.4	Confident	73 Å²	73	76.3 Å²	76.3	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-38.4	176.7	171.7	0	0	0	0	111.7	Q519 A544 V546 K552	Q519-V548 PolarHBondContact NE2-O 3.39Å; A544-V548 WeakPolarHBondContact O-CG2 3.48Å; A544-V548 PolarHBondContact O-N 2.8Å; A544-V548 VanDerWaalsContact O-N 3.12Å; V546-V548 PolarHBondContact O-N 2.9Å; V548-K552 WeakPolarHBondContact O-CB 3.45Å; V548-K552 PolarHBondContact O-N 2.95Å; V548-K552 VanDerWaalsContact O-N 3.09Å
549	A	84.6	Confident	83.5	Confident	46 Å²	46	79.3 Å²	79.3	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-68.5	-42.9	177	0	0	0	0	0	112	K545 V546 A547 K552 V553	K545-A549 PolarHBondContact O-N 2.79Å; K545-A549 VanDerWaalsContact O-N 3.17Å; V546-A549 WeakPolarHBondContact O-CB 3.45Å; V546-A549 PolarHBondContact O-N 3.18Å; V546-A549 VanDerWaalsContact O-N 3.11Å; A547-A549 VanDerWaalsContact C-N 3.32Å; A547-A549 PolarHBondContact O-N 3.32Å; A549-K552 PolarHBondContact O-N 2.83Å; A549-V553 WeakPolarHBondContact O-CG2 3.41Å; A549-V553 PolarHBondContact O-N 3.08Å
550	M	87.5	Confident	83.3	Confident	45 Å²	45	74.9 Å²	74.9	22%	0.222	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-47.1	176.8	-67.8	174.5	72.7	0	0	111.6	W526 L529 A530 V546 A547 K552 V553 F554	W526-M550 HydrophobicContact CD2-CB 4.35Å; W526-M550 HydrophobicContact CE3-CB 3.61Å; W526-M550 HydrophobicContact CE3-CE 4.09Å; W526-M550 HydrophobicContact CZ3-CB 3.96Å; W526-M550 HydrophobicContact CZ3-CE 4.1Å; L529-M550 HydrophobicContact CD2-CE 3.56Å; L529-M550 HydrophobicContact CG-CE 3.81Å; A530-M550 HydrophobicContact CB-SD 4.01Å; V546-M550 HydrophobicContact CG1-CG 4.16Å; V546-M550 HydrophobicContact CG1-SD 3.81Å; V546-M550 VanDerWaalsContact O-CG 3.29Å; V546-M550 WeakPolarHBondContact O-CG 3.38Å; V546-M550 PolarHBondContact O-N 2.84Å; A547-M550 PolarHBondContact O-N 3.46Å; M550-K552 PolarHBondContact O-N 2.94Å; M550-V553 PolarHBondContact O-N 3.38Å; M550-F554 PolarHBondContact O-N 3.08Å
551	A	87.9	Confident	83.2	Confident	2 Å²	2	73.2 Å²	73.2	2%	0.017	37%	0.368	C	S	.	.	H	α-helix	trans	-59	-37.8	175.5	0	0	0	0	0	112.2	Y518 Q519 W526 A547 Y555	Y518-A551 HydrophobicContact CD1-CB 4.49Å; Y518-A551 HydrophobicContact CE1-CB 4.18Å; Y518-A551 WeakPolarHBondContact CE1-O 3.47Å; Q519-A551 HydrophobicContact CG-CB 3.98Å; W526-A551 HydrophobicContact CB-CB 4.47Å; W526-A551 VanDerWaalsContact CD1-CB 3.4Å; W526-A551 HydrophobicContact CD2-CB 4.14Å; W526-A551 HydrophobicContact CG-CB 3.78Å; A547-A551 WeakPolarHBondContact O-CB 3.22Å; A547-A551 PolarHBondContact O-N 2.81Å; A551-Y555 VanDerWaalsContact O-CB 3.28Å; A551-Y555 WeakPolarHBondContact O-CB 3.36Å; A551-Y555 PolarHBondContact O-N 2.79Å
552	K	86.3	Confident	83.3	Confident	89 Å²	89	67.6 Å²	67.6	39%	0.387	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-48.7	178.4	-177.1	180	171.4	-169.5	0	112.1	L515 V548 A549 M550 F554 Y555 E556	L515-K552 HydrophobicContact CD1-CB 4.21Å; L515-K552 HydrophobicContact CD1-CG 4.11Å; L515-K552 HydrophobicContact CD2-CD 4.28Å; L515-K552 HydrophobicContact CD2-CG 4.01Å; V548-K552 WeakPolarHBondContact O-CB 3.45Å; V548-K552 PolarHBondContact O-N 2.95Å; V548-K552 VanDerWaalsContact O-N 3.09Å; A549-K552 PolarHBondContact O-N 2.83Å; M550-K552 PolarHBondContact O-N 2.94Å; K552-F554 VanDerWaalsContact C-N 3.33Å; K552-F554 PolarHBondContact O-N 2.8Å; K552-Y555 PolarHBondContact O-N 2.77Å; K552-E556 WeakPolarHBondContact CE-OE1 3.26Å; K552-E556 IonicContact NZ-OE1 3.54Å; K552-E556 WeakPolarHBondContact O-CG 3.38Å; K552-E556 PolarHBondContact O-N 3.46Å
553	V	86.2	Confident	83.8	Confident	81 Å²	81	65.8 Å²	65.8	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-46.2	179.5	172.7	0	0	0	0	110.1	A549 M550 Y555 E556 D557	A549-V553 WeakPolarHBondContact O-CG2 3.41Å; A549-V553 PolarHBondContact O-N 3.08Å; M550-V553 PolarHBondContact O-N 3.38Å; V553-Y555 VanDerWaalsContact C-N 3.33Å; V553-Y555 PolarHBondContact O-N 3.06Å; V553-E556 PolarHBondContact O-N 2.75Å; V553-E556 VanDerWaalsContact O-N 3.16Å; V553-D557 PolarHBondContact O-N 3.45Å; V553-D557 VanDerWaalsContact O-N 3.14Å
554	F	88	Confident	83.8	Confident	36 Å²	36	70.1 Å²	70.1	16%	0.158	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-39.8	178	-173	-90	0	0	0	112.6	H506 P507 Y518 W526 M550 K552 E556 D557 Q558	H506-F554 HydrophobicContact CB-CD2 4.04Å; H506-F554 HydrophobicContact CB-CE1 4.19Å; H506-F554 HydrophobicContact CB-CE2 3.48Å; H506-F554 VanDerWaalsContact CB-CE2 3.48Å; H506-F554 HydrophobicContact CB-CZ 3.55Å; H506-F554 AromaticContact CD2-CD2 3.83Å; H506-F554 AromaticContact CD2-CE2 3.63Å; H506-F554 AromaticContact CG-CE2 3.88Å; P507-F554 WeakPolarHBondContact O-CE1 3.44Å; Y518-F554 HydrophobicContact CE1-CD1 4.47Å; Y518-F554 AromaticContact CZ-CD1 3.92Å; Y518-F554 WeakPolarHBondContact OH-CD1 3.5Å; W526-F554 HydrophobicContact CH2-CB 3.69Å; W526-F554 HydrophobicContact CH2-CD1 4.47Å; W526-F554 HydrophobicContact CH2-CD2 4.07Å; W526-F554 AromaticContact CH2-CG 3.82Å; W526-F554 HydrophobicContact CH2-CG 3.82Å; W526-F554 HydrophobicContact CZ2-CB 3.71Å; W526-F554 HydrophobicContact CZ2-CD1 4.02Å; W526-F554 HydrophobicContact CZ2-CD2 4.42Å; W526-F554 AromaticContact CZ2-CG 3.78Å; W526-F554 HydrophobicContact CZ2-CG 3.78Å; M550-F554 PolarHBondContact O-N 3.08Å; K552-F554 VanDerWaalsContact C-N 3.33Å; K552-F554 PolarHBondContact O-N 2.8Å; F554-E556 VanDerWaalsContact C-N 3.32Å; F554-E556 PolarHBondContact O-N 2.82Å; F554-D557 PolarHBondContact O-N 3.21Å; F554-Q558 HydrophobicContact CD1-CG 4.16Å; F554-Q558 HydrophobicContact CE1-CG 3.75Å; F554-Q558 HydrophobicContact CZ-CG 4.07Å; F554-Q558 WeakPolarHBondContact O-CG 3.5Å; F554-Q558 PolarHBondContact O-N 3.41Å
555	Y	87.6	Confident	83.9	Confident	56 Å²	56	72.3 Å²	72.3	22%	0.22	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-32.5	176.1	178.4	-81.1	0	0	0	112.9	V509 E513 L515 Y518 A551 K552 V553 D557	V509-Y555 HydrophobicContact CB-CD2 4.38Å; V509-Y555 HydrophobicContact CG1-CD2 3.7Å; V509-Y555 HydrophobicContact CG1-CE2 3.54Å; V509-Y555 HydrophobicContact CG2-CD2 3.69Å; V509-Y555 HydrophobicContact CG2-CE2 4.4Å; V509-Y555 HydrophobicContact CG2-CG 4.28Å; E513-Y555 PolarHBondContact O-OH 3.29Å; L515-Y555 HydrophobicContact CB-CD1 4.04Å; L515-Y555 HydrophobicContact CB-CE1 3.89Å; L515-Y555 HydrophobicContact CB-CG 4.48Å; L515-Y555 HydrophobicContact CD1-CD1 3.73Å; L515-Y555 HydrophobicContact CD1-CD2 4.39Å; L515-Y555 HydrophobicContact CD1-CE1 4.45Å; L515-Y555 HydrophobicContact CD1-CG 3.72Å; L515-Y555 HydrophobicContact CG-CD1 4.42Å; L515-Y555 PolarHBondContact N-OH 2.94Å; Y518-Y555 AromaticContact CD1-CD2 3.87Å; Y518-Y555 HydrophobicContact CD1-CD2 3.87Å; Y518-Y555 HydrophobicContact CD1-CG 4.27Å; Y518-Y555 HydrophobicContact CD2-CD2 4.3Å; Y518-Y555 AromaticContact CG-CD2 3.67Å; Y518-Y555 HydrophobicContact CG-CD2 3.67Å; Y518-Y555 HydrophobicContact CG-CE2 4.47Å; A551-Y555 VanDerWaalsContact O-CB 3.28Å; A551-Y555 WeakPolarHBondContact O-CB 3.36Å; A551-Y555 PolarHBondContact O-N 2.79Å; K552-Y555 PolarHBondContact O-N 2.77Å; V553-Y555 VanDerWaalsContact C-N 3.33Å; V553-Y555 PolarHBondContact O-N 3.06Å; Y555-D557 VanDerWaalsContact C-N 3.35Å
556	E	81.1	Confident	83.9	Confident	120 Å²	120	66.5 Å²	66.5	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-76.8	-21.3	177.8	-72.3	175.1	164.9	0	0	113	K552 V553 F554	K552-E556 WeakPolarHBondContact CE-OE1 3.26Å; K552-E556 IonicContact NZ-OE1 3.54Å; K552-E556 WeakPolarHBondContact O-CG 3.38Å; K552-E556 PolarHBondContact O-N 3.46Å; V553-E556 PolarHBondContact O-N 2.75Å; V553-E556 VanDerWaalsContact O-N 3.16Å; F554-E556 VanDerWaalsContact C-N 3.32Å; F554-E556 PolarHBondContact O-N 2.82Å
557	D	77.4	Confident	84.4	Confident	126 Å²	126	69.8 Å²	69.8	67%	0.674	36%	0.36	S	S	*	.			trans	-89.6	-8.5	179.5	-75.1	-16.4	0	0	0	114	V553 F554 Y555	V553-D557 PolarHBondContact O-N 3.45Å; V553-D557 VanDerWaalsContact O-N 3.14Å; F554-D557 PolarHBondContact O-N 3.21Å; Y555-D557 VanDerWaalsContact C-N 3.35Å
558	Q	73.9	Confident	84.2	Confident	160 Å²	160	75.8 Å²	75.8	75%	0.748	39%	0.391	S	S	*	.			trans	-102.7	0	177.3	-63.5	-68.8	-49.4	0	0	111	V509 F554	V509-Q558 HydrophobicContact CB-CB 4.31Å; V509-Q558 HydrophobicContact CG2-CB 3.87Å; V509-Q558 HydrophobicContact CG2-CG 4.03Å; F554-Q558 HydrophobicContact CD1-CG 4.16Å; F554-Q558 HydrophobicContact CE1-CG 3.75Å; F554-Q558 HydrophobicContact CZ-CG 4.07Å; F554-Q558 WeakPolarHBondContact O-CG 3.5Å; F554-Q558 PolarHBondContact O-N 3.41Å

Retrieved 558 of 558 residues in 333.9 ms (Link to these results)

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