X2JLF7_DROME Loading...

Short wing, isoform O

AlphaFold DB , UniProt , Accession X2JLF7, Species DROME (Drosophila melanogaster, Fruit fly), Gene sw, Length 643 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.2	Low	74.9	Confident	211 Å²	211	145 Å²	145	100%	1.039	67%	0.668	S	S	*	*				0	-42	0	-74.9	-74.6	-106	0	0	111.2	R3 K4 A5	M1-R3 PolarHBondContact O-N 3.32Å; M1-K4 PolarHBondContact O-N 3.22Å; M1-A5 PolarHBondContact O-N 3.13Å
2	D	63.6	Low	75.5	Confident	137 Å²	137	138.1 Å²	138.1	73%	0.733	66%	0.655	S	S	*	*	H	α-helix	trans	-65.6	-37.3	-174.5	-61	-44.5	0	0	0	116.2	K4 A5 E6	D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.02Å; D2-A5 PolarHBondContact O-N 2.72Å; D2-E6 PolarHBondContact O-N 2.98Å
3	R	62.6	Low	76.1	Confident	214 Å²	214	139.7 Å²	139.7	81%	0.808	66%	0.658	S	S	*	*	H	α-helix	trans	-67.6	-29.2	-178.4	-158.9	173.1	-174.7	174.7	1.2	113.4	M1 L7	M1-R3 PolarHBondContact O-N 3.32Å; R3-L7 PolarHBondContact O-N 3.28Å
4	K	75.3	Confident	76	Confident	148 Å²	148	136.7 Å²	136.7	64%	0.643	65%	0.648	S	S	*	*	H	α-helix	trans	-75.4	-40.7	176	-170.4	179.5	176.9	-175.3	0	110.8	M1 D2 E6 L7 E8	M1-K4 PolarHBondContact O-N 3.22Å; D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.02Å; K4-E6 VanDerWaalsContact C-N 3.32Å; K4-E6 PolarHBondContact O-N 3.42Å; K4-L7 PolarHBondContact O-N 3.16Å; K4-E8 PolarHBondContact O-N 3.31Å
5	A	79.8	Confident	76.2	Confident	56 Å²	56	131.3 Å²	131.3	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-64.1	-36.7	174.7	0	0	0	0	0	112.1	M1 D2 R9	M1-A5 PolarHBondContact O-N 3.13Å; D2-A5 PolarHBondContact O-N 2.72Å; A5-R9 WeakPolarHBondContact O-CB 3.32Å; A5-R9 PolarHBondContact O-N 3.37Å
6	E	75.9	Confident	76.5	Confident	102 Å²	102	126.8 Å²	126.8	48%	0.477	63%	0.626	S	S	.	*	H	α-helix	trans	-68.3	-37.9	176.2	-157	-163.4	143.8	0	0	112.4	D2 K4 R9 K10	D2-E6 PolarHBondContact O-N 2.98Å; K4-E6 VanDerWaalsContact C-N 3.32Å; K4-E6 PolarHBondContact O-N 3.42Å; E6-R9 PolarHBondContact O-N 3.37Å; E6-K10 PolarHBondContact O-N 3.46Å; E6-K10 IonicContact OE1-NZ 3.85Å; E6-K10 PolarHBondContact OE1-NZ 3.01Å
7	L	75.9	Confident	76.8	Confident	119 Å²	119	126.1 Å²	126.1	62%	0.623	62%	0.624	S	S	*	*	H	α-helix	trans	-69.3	-40	177.7	-128.9	159	0	0	0	111.7	R3 K4 R9 K10 K11	R3-L7 PolarHBondContact O-N 3.28Å; K4-L7 PolarHBondContact O-N 3.16Å; L7-R9 VanDerWaalsContact C-N 3.35Å; L7-K10 PolarHBondContact O-N 3.29Å; L7-K11 WeakPolarHBondContact O-CB 3.47Å; L7-K11 PolarHBondContact O-N 3.09Å
8	E	80.1	Confident	76.7	Confident	118 Å²	118	128.6 Å²	128.6	55%	0.551	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-38	173.3	-78.9	176.5	-177.8	0	0	111.8	K4 K11 A12	K4-E8 PolarHBondContact O-N 3.31Å; E8-K11 PolarHBondContact O-N 3.5Å; E8-A12 WeakPolarHBondContact O-CB 3.36Å; E8-A12 PolarHBondContact O-N 3.46Å
9	R	81.5	Confident	77.1	Confident	205 Å²	205	128.8 Å²	128.8	77%	0.774	63%	0.625	S	S	*	*	H	α-helix	trans	-66.9	-39.4	174.9	-163.4	176	-177.1	-179.6	0.9	112.4	A5 E6 L7 K13	A5-R9 WeakPolarHBondContact O-CB 3.32Å; A5-R9 PolarHBondContact O-N 3.37Å; E6-R9 PolarHBondContact O-N 3.37Å; L7-R9 VanDerWaalsContact C-N 3.35Å; R9-K13 WeakPolarHBondContact O-CB 3.49Å; R9-K13 PolarHBondContact O-N 3.12Å
10	K	84.7	Confident	77.5	Confident	129 Å²	129	127.1 Å²	127.1	56%	0.561	62%	0.616	S	S	*	*	H	α-helix	trans	-66.5	-40.8	173.6	-81	173.9	170.5	157.9	0	111.8	E6 L7 K13 L14	E6-K10 PolarHBondContact O-N 3.46Å; E6-K10 IonicContact OE1-NZ 3.85Å; E6-K10 PolarHBondContact OE1-NZ 3.01Å; L7-K10 PolarHBondContact O-N 3.29Å; K10-K13 PolarHBondContact O-N 2.93Å; K10-L14 PolarHBondContact O-N 3.3Å
11	K	86.8	Confident	77.6	Confident	156 Å²	156	128.7 Å²	128.7	68%	0.678	62%	0.62	S	S	*	*	H	α-helix	trans	-65.4	-41.9	176.3	-169.3	177.1	179.9	-178.3	0	112	L7 E8 L14 A15	L7-K11 WeakPolarHBondContact O-CB 3.47Å; L7-K11 PolarHBondContact O-N 3.09Å; E8-K11 PolarHBondContact O-N 3.5Å; K11-L14 PolarHBondContact O-N 2.94Å; K11-A15 WeakPolarHBondContact O-CB 3.44Å; K11-A15 PolarHBondContact O-N 3.43Å
12	A	81.4	Confident	78.5	Confident	62 Å²	62	122.5 Å²	122.5	51%	0.512	59%	0.591	S	S	.	*	H	α-helix	trans	-63.8	-40.6	174.9	0	0	0	0	0	111.9	E8 L14 A15 A16	E8-A12 WeakPolarHBondContact O-CB 3.36Å; E8-A12 PolarHBondContact O-N 3.46Å; A12-L14 PolarHBondContact O-N 3.14Å; A12-A15 PolarHBondContact O-N 3.49Å; A12-A16 PolarHBondContact O-N 3.44Å
13	K	83.1	Confident	79.3	Confident	159 Å²	159	121.2 Å²	121.2	69%	0.691	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-36.6	176.4	-162.4	172.9	-175.9	-179.5	0	112.5	R9 K10 L17	R9-K13 WeakPolarHBondContact O-CB 3.49Å; R9-K13 PolarHBondContact O-N 3.12Å; K10-K13 PolarHBondContact O-N 2.93Å; K13-L17 PolarHBondContact O-N 3.01Å; K13-L17 VanDerWaalsContact O-N 3.16Å
14	L	75.5	Confident	80	Confident	98 Å²	98	120.3 Å²	120.3	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-71.3	-36	176.4	-154.1	107.8	0	0	0	112.2	K10 K11 A12 L17 R18	K10-L14 PolarHBondContact O-N 3.3Å; K11-L14 PolarHBondContact O-N 2.94Å; A12-L14 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 2.76Å; L14-R18 PolarHBondContact O-N 3.46Å; L14-R18 VanDerWaalsContact O-N 3.08Å
15	A	79.4	Confident	79.8	Confident	56 Å²	56	120.7 Å²	120.7	46%	0.463	57%	0.57	S	S	.	*	H	α-helix	trans	-65.7	-44.1	174.7	0	0	0	0	0	111.6	K11 A12 L17 R18 E19	K11-A15 WeakPolarHBondContact O-CB 3.44Å; K11-A15 PolarHBondContact O-N 3.43Å; A12-A15 PolarHBondContact O-N 3.49Å; A15-L17 VanDerWaalsContact C-N 3.3Å; A15-L17 PolarHBondContact O-N 3.32Å; A15-R18 PolarHBondContact O-N 3.29Å; A15-R18 VanDerWaalsContact O-N 3.16Å; A15-E19 PolarHBondContact O-N 2.96Å
16	A	80.6	Confident	79.6	Confident	58 Å²	58	124.7 Å²	124.7	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-61	-38	175	0	0	0	0	0	112.4	A12 E19 E20	A12-A16 PolarHBondContact O-N 3.44Å; A16-E19 PolarHBondContact O-N 3.45Å; A16-E20 WeakPolarHBondContact O-CB 3.48Å; A16-E20 PolarHBondContact O-N 3.44Å
17	L	80.8	Confident	79.6	Confident	116 Å²	116	125.2 Å²	125.2	61%	0.607	58%	0.575	S	S	*	*	H	α-helix	trans	-67.7	-34.5	175.5	-107.5	158.9	0	0	0	113.2	K13 L14 A15 K21	K13-L17 PolarHBondContact O-N 3.01Å; K13-L17 VanDerWaalsContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 2.76Å; A15-L17 VanDerWaalsContact C-N 3.3Å; A15-L17 PolarHBondContact O-N 3.32Å; L17-K21 WeakPolarHBondContact O-CB 3.18Å; L17-K21 PolarHBondContact O-N 3.5Å; L17-K21 VanDerWaalsContact O-N 3.09Å
18	R	75.4	Confident	79.4	Confident	170 Å²	170	126 Å²	126	64%	0.642	57%	0.574	S	S	*	*	H	α-helix	trans	-70.4	-43	174.4	-76.5	-179.7	178	178.4	-2.3	111.5	L14 A15 E20 K21 D22	L14-R18 PolarHBondContact O-N 3.46Å; L14-R18 VanDerWaalsContact O-N 3.08Å; A15-R18 PolarHBondContact O-N 3.29Å; A15-R18 VanDerWaalsContact O-N 3.16Å; R18-E20 VanDerWaalsContact C-N 3.35Å; R18-E20 PolarHBondContact O-N 3.17Å; R18-K21 PolarHBondContact O-N 3.33Å; R18-D22 WeakPolarHBondContact O-CB 3.22Å; R18-D22 PolarHBondContact O-N 3.47Å
19	E	85.2	Confident	78.9	Confident	134 Å²	134	125 Å²	125	63%	0.626	57%	0.569	S	S	*	*	H	α-helix	trans	-65	-38.7	177.7	-169.1	173.7	-173.9	0	0	112.2	A15 A16 D22 R23	A15-E19 PolarHBondContact O-N 2.96Å; A16-E19 PolarHBondContact O-N 3.45Å; E19-D22 PolarHBondContact O-N 2.97Å; E19-R23 WeakPolarHBondContact O-CB 3.4Å; E19-R23 PolarHBondContact O-N 3.47Å
20	E	83.6	Confident	78.4	Confident	93 Å²	93	120.4 Å²	120.4	44%	0.435	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-40.7	172.8	-171.9	66.9	-158.7	0	0	111.9	A16 R18 R23 R24	A16-E20 WeakPolarHBondContact O-CB 3.48Å; A16-E20 PolarHBondContact O-N 3.44Å; R18-E20 VanDerWaalsContact C-N 3.35Å; R18-E20 PolarHBondContact O-N 3.17Å; E20-R23 PolarHBondContact O-N 3.37Å; E20-R23 IonicContact OE1-CZ 2.8Å; E20-R23 IonicContact OE1-NH2 3.78Å; E20-R23 PolarHBondContact OE1-NH2 3.11Å; E20-R23 IonicContact OE2-CZ 3.87Å; E20-R23 IonicContact OE2-NH1 3.45Å; E20-R23 PolarHBondContact OE2-NH1 3.48Å; E20-R23 IonicContact OE2-NH2 3.68Å; E20-R23 PolarHBondContact OE2-NH2 3.46Å; E20-R24 WeakPolarHBondContact O-CB 3.32Å; E20-R24 PolarHBondContact O-N 2.83Å
21	K	80.7	Confident	77.7	Confident	161 Å²	161	121 Å²	121	70%	0.7	56%	0.562	S	S	*	*	H	α-helix	trans	-66.9	-39.4	176.1	-169.3	178.9	179.5	-178.3	0	111.9	L17 R18 R24 R25	L17-K21 WeakPolarHBondContact O-CB 3.18Å; L17-K21 PolarHBondContact O-N 3.5Å; L17-K21 VanDerWaalsContact O-N 3.09Å; R18-K21 PolarHBondContact O-N 3.33Å; K21-R24 PolarHBondContact O-N 3.33Å; K21-R25 WeakPolarHBondContact O-CB 3.48Å; K21-R25 PolarHBondContact O-N 3.39Å
22	D	76.4	Confident	76.6	Confident	81 Å²	81	117.4 Å²	117.4	43%	0.433	55%	0.55	S	S	.	.	H	α-helix	trans	-71.6	-33.3	177.2	-73.2	-16.6	0	0	0	112.1	R18 E19 R25 R26	R18-D22 WeakPolarHBondContact O-CB 3.22Å; R18-D22 PolarHBondContact O-N 3.47Å; E19-D22 PolarHBondContact O-N 2.97Å; D22-R25 PolarHBondContact O-N 3.4Å; D22-R26 WeakPolarHBondContact O-CB 3.48Å; D22-R26 PolarHBondContact O-N 3.27Å
23	R	80	Confident	75.8	Confident	111 Å²	111	121.3 Å²	121.3	42%	0.419	56%	0.559	S	S	.	*	H	α-helix	trans	-65.1	-47.2	171.3	-168.4	174.6	78.8	-125.8	-1.7	110.8	E19 E20 R25 R26 E27	E19-R23 WeakPolarHBondContact O-CB 3.4Å; E19-R23 PolarHBondContact O-N 3.47Å; E20-R23 PolarHBondContact O-N 3.37Å; E20-R23 IonicContact OE1-CZ 2.8Å; E20-R23 IonicContact OE1-NH2 3.78Å; E20-R23 PolarHBondContact OE1-NH2 3.11Å; E20-R23 IonicContact OE2-CZ 3.87Å; E20-R23 IonicContact OE2-NH1 3.45Å; E20-R23 PolarHBondContact OE2-NH1 3.48Å; E20-R23 IonicContact OE2-NH2 3.68Å; E20-R23 PolarHBondContact OE2-NH2 3.46Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 3.39Å; R23-R26 PolarHBondContact O-N 3.33Å; R23-E27 IonicContact NE-OE1 3.29Å; R23-E27 WeakPolarHBondContact O-CG 3.4Å; R23-E27 PolarHBondContact O-N 3.18Å
24	R	78.9	Confident	74.6	Confident	194 Å²	194	120.5 Å²	120.5	73%	0.732	56%	0.558	S	S	*	*	H	α-helix	trans	-63.7	-34	176.2	-173.4	176.3	169.1	-179.4	-2.8	112.5	E20 K21 K28	E20-R24 WeakPolarHBondContact O-CB 3.32Å; E20-R24 PolarHBondContact O-N 2.83Å; K21-R24 PolarHBondContact O-N 3.33Å; R24-K28 WeakPolarHBondContact O-CB 3.45Å; R24-K28 PolarHBondContact O-N 3.28Å
25	R	70.9	Confident	73.6	Confident	156 Å²	156	120.3 Å²	120.3	59%	0.589	55%	0.554	S	S	*	*	H	α-helix	trans	-67.8	-44.2	173.8	-174.1	-179.1	173.3	174.6	7.4	111.4	K21 D22 R23 K28 E29	K21-R25 WeakPolarHBondContact O-CB 3.48Å; K21-R25 PolarHBondContact O-N 3.39Å; D22-R25 PolarHBondContact O-N 3.4Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 3.39Å; R25-K28 WeakPolarHBondContact O-CB 3.24Å; R25-K28 PolarHBondContact O-N 2.82Å; R25-E29 IonicContact CZ-OE1 2.7Å; R25-E29 IonicContact NE-OE1 3.43Å; R25-E29 PolarHBondContact NE-OE1 2.88Å; R25-E29 IonicContact NH2-OE1 3.31Å; R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 2.95Å
26	R	75.4	Confident	72.2	Confident	140 Å²	140	119.9 Å²	119.9	53%	0.528	55%	0.551	S	S	.	*	H	α-helix	trans	-65.3	-38.9	175.4	-84.6	-176.3	-89.2	129.1	-7.1	112.8	D22 R23 K28 E29 I30	D22-R26 WeakPolarHBondContact O-CB 3.48Å; D22-R26 PolarHBondContact O-N 3.27Å; R23-R26 PolarHBondContact O-N 3.33Å; R26-K28 VanDerWaalsContact C-N 3.3Å; R26-K28 PolarHBondContact O-N 2.84Å; R26-E29 PolarHBondContact O-N 3.08Å; R26-I30 WeakPolarHBondContact O-CB 3.38Å; R26-I30 WeakPolarHBondContact O-CD1 3.32Å; R26-I30 WeakPolarHBondContact O-CG1 3.33Å; R26-I30 PolarHBondContact O-N 3.35Å
27	E	75.8	Confident	70.6	Confident	113 Å²	113	120 Å²	120	53%	0.528	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-37.7	172.6	-75.5	171	-173	0	0	111.6	R23 K31	R23-E27 IonicContact NE-OE1 3.29Å; R23-E27 WeakPolarHBondContact O-CG 3.4Å; R23-E27 PolarHBondContact O-N 3.18Å; E27-K31 WeakPolarHBondContact O-CB 3.22Å; E27-K31 PolarHBondContact O-N 2.91Å
28	K	72.3	Confident	68.8	Low	137 Å²	137	116.9 Å²	116.9	60%	0.596	55%	0.548	S	S	*	.	H	α-helix	trans	-67.8	-43	173.6	-166.8	178	178.4	-175.2	0	111.9	R24 R25 R26 I30 K31 D32	R24-K28 WeakPolarHBondContact O-CB 3.45Å; R24-K28 PolarHBondContact O-N 3.28Å; R25-K28 WeakPolarHBondContact O-CB 3.24Å; R25-K28 PolarHBondContact O-N 2.82Å; R26-K28 VanDerWaalsContact C-N 3.3Å; R26-K28 PolarHBondContact O-N 2.84Å; K28-I30 VanDerWaalsContact C-N 3.34Å; K28-I30 PolarHBondContact O-N 3.34Å; K28-K31 PolarHBondContact O-N 2.8Å; K28-D32 WeakPolarHBondContact O-CB 3.35Å; K28-D32 PolarHBondContact O-N 2.95Å
29	E	67.6	Low	67.3	Low	96 Å²	96	117.9 Å²	117.9	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-36.6	176.1	-75.6	169.1	-174.6	0	0	112	R25 R26 M33	R25-E29 IonicContact CZ-OE1 2.7Å; R25-E29 IonicContact NE-OE1 3.43Å; R25-E29 PolarHBondContact NE-OE1 2.88Å; R25-E29 IonicContact NH2-OE1 3.31Å; R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 2.95Å; R26-E29 PolarHBondContact O-N 3.08Å; E29-M33 VanDerWaalsContact O-CB 3.24Å; E29-M33 WeakPolarHBondContact O-CB 3.45Å; E29-M33 PolarHBondContact O-N 2.8Å
30	I	71.1	Confident	65.3	Low	109 Å²	109	118.2 Å²	118.2	56%	0.559	56%	0.556	S	S	*	*	H	α-helix	trans	-68.5	-40.8	173.6	-68.4	163.9	0	0	0	110.8	R26 K28 M33 E34	R26-I30 WeakPolarHBondContact O-CB 3.38Å; R26-I30 WeakPolarHBondContact O-CD1 3.32Å; R26-I30 WeakPolarHBondContact O-CG1 3.33Å; R26-I30 PolarHBondContact O-N 3.35Å; K28-I30 VanDerWaalsContact C-N 3.34Å; K28-I30 PolarHBondContact O-N 3.34Å; I30-M33 PolarHBondContact O-N 2.88Å; I30-E34 WeakPolarHBondContact O-CB 3.44Å; I30-E34 PolarHBondContact O-N 3.42Å
31	K	70.4	Confident	62.9	Low	141 Å²	141	116.6 Å²	116.6	61%	0.613	56%	0.564	S	S	*	*	H	α-helix	trans	-67.4	-39.2	176.9	-167.1	176.3	-178.7	-178.4	0	112.1	E27 K28 M33 E34 E35	E27-K31 WeakPolarHBondContact O-CB 3.22Å; E27-K31 PolarHBondContact O-N 2.91Å; K28-K31 PolarHBondContact O-N 2.8Å; K31-M33 VanDerWaalsContact C-N 3.3Å; K31-E34 PolarHBondContact O-N 3.47Å; K31-E35 WeakPolarHBondContact O-CB 3.43Å; K31-E35 PolarHBondContact O-N 2.93Å
32	D	63.3	Low	60.6	Low	81 Å²	81	112.5 Å²	112.5	43%	0.433	57%	0.568	S	S	.	*	H	α-helix	trans	-68	-32.5	174.7	-67.4	-12.4	0	0	0	110.7	K28 A36	K28-D32 WeakPolarHBondContact O-CB 3.35Å; K28-D32 PolarHBondContact O-N 2.95Å; D32-A36 VanDerWaalsContact O-CB 3.23Å; D32-A36 WeakPolarHBondContact O-CB 3.23Å; D32-A36 PolarHBondContact O-N 2.7Å
33	M	65.2	Low	58.6	Low	144 Å²	144	112.2 Å²	112.2	71%	0.709	58%	0.584	S	S	*	*	H	α-helix	trans	-74	-35.3	173.4	-173	175.2	146.1	0	0	112.7	E29 I30 K31 A37	E29-M33 VanDerWaalsContact O-CB 3.24Å; E29-M33 WeakPolarHBondContact O-CB 3.45Å; E29-M33 PolarHBondContact O-N 2.8Å; I30-M33 PolarHBondContact O-N 2.88Å; K31-M33 VanDerWaalsContact C-N 3.3Å; M33-A37 WeakPolarHBondContact O-CB 3.49Å; M33-A37 PolarHBondContact O-N 3.23Å
34	E	57.5	Low	56.7	Low	141 Å²	141	111.5 Å²	111.5	66%	0.659	60%	0.601	S	S	*	*	H	α-helix	trans	-69.9	-37	172.6	-168.8	174.2	-170.2	0	0	111.3	I30 K31 A37 G38	I30-E34 WeakPolarHBondContact O-CB 3.44Å; I30-E34 PolarHBondContact O-N 3.42Å; K31-E34 PolarHBondContact O-N 3.47Å; E34-A37 PolarHBondContact O-N 2.87Å; E34-G38 PolarHBondContact O-N 2.8Å
35	E	55	Low	54.7	Low	94 Å²	94	105.9 Å²	105.9	44%	0.439	60%	0.604	S	S	.	*	H	α-helix	trans	-71	-36.9	173.5	-160.3	-177.2	147.3	0	0	111.7	K31 G38 R39	K31-E35 WeakPolarHBondContact O-CB 3.43Å; K31-E35 PolarHBondContact O-N 2.93Å; E35-G38 PolarHBondContact O-N 2.99Å; E35-R39 WeakPolarHBondContact O-CG 3.48Å; E35-R39 PolarHBondContact O-N 3.45Å; E35-R39 IonicContact OE1-CZ 3.77Å; E35-R39 IonicContact OE1-NE 3.08Å; E35-R39 IonicContact OE1-NH2 3.82Å; E35-R39 PolarHBondContact OE1-NH2 2.81Å
36	A	50.1	Low	53.6	Low	47 Å²	47	105.2 Å²	105.2	39%	0.388	61%	0.611	S	S	.	*	H	α-helix	trans	-66	-38.6	170.9	0	0	0	0	0	112.1	D32 R39 I40	D32-A36 VanDerWaalsContact O-CB 3.23Å; D32-A36 WeakPolarHBondContact O-CB 3.23Å; D32-A36 PolarHBondContact O-N 2.7Å; A36-R39 PolarHBondContact O-N 3.39Å; A36-I40 WeakPolarHBondContact O-CD1 3.09Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 2.87Å; A36-I40 VanDerWaalsContact O-N 3.08Å
37	A	47.3	Very low	52.4	Low	60 Å²	60	102.8 Å²	102.8	50%	0.496	61%	0.608	S	S	.	*	H	α-helix	trans	-67	-37.3	172.5	0	0	0	0	0	112	M33 E34 I40 G41	M33-A37 WeakPolarHBondContact O-CB 3.49Å; M33-A37 PolarHBondContact O-N 3.23Å; E34-A37 PolarHBondContact O-N 2.87Å; A37-I40 PolarHBondContact O-N 3.22Å; A37-G41 PolarHBondContact O-N 3.48Å
38	G	42.9	Very low	51.2	Low	51 Å²	51	106.1 Å²	106.1	53%	0.526	62%	0.621	S	S	.	*	H	α-helix	trans	-64.2	-35.7	172.3	0	0	0	0	0	113.3	E34 E35 G41 G42	E34-G38 PolarHBondContact O-N 2.8Å; E35-G38 PolarHBondContact O-N 2.99Å; G38-G41 PolarHBondContact O-N 3.21Å; G38-G42 PolarHBondContact O-N 2.86Å
39	R	44.4	Very low	50.2	Low	192 Å²	192	105.2 Å²	105.2	73%	0.725	62%	0.623	S	S	*	*	H	α-helix	trans	-72.4	-27.6	173.4	-72.5	179.7	-165.5	-166.3	6.4	113.3	E35 A36	E35-R39 WeakPolarHBondContact O-CG 3.48Å; E35-R39 PolarHBondContact O-N 3.45Å; E35-R39 IonicContact OE1-CZ 3.77Å; E35-R39 IonicContact OE1-NE 3.08Å; E35-R39 IonicContact OE1-NH2 3.82Å; E35-R39 PolarHBondContact OE1-NH2 2.81Å; A36-R39 PolarHBondContact O-N 3.39Å
40	I	42.3	Very low	49.5	Very low	141 Å²	141	106.5 Å²	106.5	72%	0.723	63%	0.629	S	S	*	*	H	α-helix	trans	-81.3	-24.4	173.4	-65.8	161.2	0	0	0	111.6	A36 A37	A36-I40 WeakPolarHBondContact O-CD1 3.09Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 2.87Å; A36-I40 VanDerWaalsContact O-N 3.08Å; A37-I40 PolarHBondContact O-N 3.22Å
41	G	33.8	Very low	48.7	Very low	59 Å²	59	109.8 Å²	109.8	61%	0.608	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-82	-8.9	178.1	0	0	0	0	0	116.1	A37 G38 G43	A37-G41 PolarHBondContact O-N 3.48Å; G38-G41 PolarHBondContact O-N 3.21Å; G41-G43 VanDerWaalsContact C-N 3.32Å; G41-G43 PolarHBondContact O-N 3.02Å
42	G	32.5	Very low	48	Very low	75 Å²	75	110 Å²	110	77%	0.773	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-80.1	0.9	-176	0	0	0	0	0	116.4	G38	G38-G42 PolarHBondContact O-N 2.86Å
43	G	33.8	Very low	47.9	Very low	75 Å²	75	110.5 Å²	110.5	77%	0.773	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-137.9	20.3	-169.3	0	0	0	0	0	116.6	G41	G41-G43 VanDerWaalsContact C-N 3.32Å; G41-G43 PolarHBondContact O-N 3.02Å
44	A	40.6	Very low	47.6	Very low	95 Å²	95	108.1 Å²	108.1	79%	0.785	63%	0.628	S	S	*	*			trans	-134.8	43.4	-173.5	0	0	0	0	0	114
45	G	37.5	Very low	47.6	Very low	76 Å²	76	106.2 Å²	106.2	78%	0.784	62%	0.622	S	S	*	*	S	Bend	trans	-101.8	-9.1	-178.4	0	0	0	0	0	117.3
46	I	47.2	Very low	48.1	Very low	143 Å²	143	108.7 Å²	108.7	73%	0.733	63%	0.633	S	S	*	*	S	Bend	trans	-130.8	-8.3	-166.8	-60.8	-178.2	0	0	0	116.2
47	D	49.8	Very low	48.5	Very low	88 Å²	88	111.8 Å²	111.8	47%	0.471	64%	0.641	S	S	.	*			trans	-117	51.5	-168.5	-77.3	-19.6	0	0	0	116.2
48	K	50.1	Low	49.1	Very low	183 Å²	183	112.6 Å²	112.6	80%	0.796	64%	0.637	S	S	*	*	S	Bend	trans	-106.6	-29.3	169.5	-93.2	-176.4	177.1	175.6	0	114.9
49	D	51.3	Low	50.1	Low	119 Å²	119	114.1 Å²	114.1	64%	0.636	64%	0.639	S	S	*	*	S	Bend	trans	-85.1	-39	177.6	-78.1	-19.7	0	0	0	111.7	R51 K52 D53	D49-R51 VanDerWaalsContact C-N 3.28Å; D49-R51 PolarHBondContact O-N 3.33Å; D49-K52 PolarHBondContact O-N 2.94Å; D49-K52 VanDerWaalsContact O-N 3.13Å; D49-D53 PolarHBondContact O-N 2.96Å
50	Q	53.4	Low	50.8	Low	123 Å²	123	109.5 Å²	109.5	58%	0.575	64%	0.637	S	S	*	*	H	α-helix	trans	-64.5	-28.3	179.7	-64	-169.9	1.9	0	0	114.1	L54	Q50-L54 WeakPolarHBondContact O-CB 3.45Å; Q50-L54 PolarHBondContact O-N 2.83Å; Q50-L54 VanDerWaalsContact O-N 3.14Å
51	R	54.5	Low	51.6	Low	177 Å²	177	109.4 Å²	109.4	67%	0.668	64%	0.636	S	S	*	*	H	α-helix	trans	-72.8	-29.8	176.7	-75.4	-175.7	-175.9	-179.8	3.1	113.2	D49 D55	D49-R51 VanDerWaalsContact C-N 3.28Å; D49-R51 PolarHBondContact O-N 3.33Å; R51-D55 WeakPolarHBondContact O-CB 3.4Å; R51-D55 PolarHBondContact O-N 2.88Å; R51-D55 VanDerWaalsContact O-N 3.12Å
52	K	55.9	Low	52.2	Low	145 Å²	145	109.9 Å²	109.9	63%	0.63	64%	0.642	S	S	*	*	H	α-helix	trans	-74	-40	177	-73.1	178.5	178.4	173.7	0	111.2	D49 L54 D55 E56	D49-K52 PolarHBondContact O-N 2.94Å; D49-K52 VanDerWaalsContact O-N 3.13Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.37Å; K52-D55 PolarHBondContact O-N 3.4Å; K52-E56 PolarHBondContact O-N 3.33Å
53	D	60.1	Low	53.3	Low	92 Å²	92	110.8 Å²	110.8	49%	0.492	63%	0.632	S	S	.	*	H	α-helix	trans	-67.7	-34.7	177.1	-63.3	-17.5	0	0	0	111.6	D49 M57	D49-D53 PolarHBondContact O-N 2.96Å; D53-M57 WeakPolarHBondContact O-CB 3.37Å; D53-M57 WeakPolarHBondContact O-CG 3.34Å; D53-M57 PolarHBondContact O-N 2.88Å
54	L	59.8	Low	54	Low	95 Å²	95	110 Å²	110	50%	0.497	62%	0.618	S	S	.	*	H	α-helix	trans	-69.6	-40.1	174.7	-119.9	151.6	0	0	0	112.7	Q50 K52 M57 L58	Q50-L54 WeakPolarHBondContact O-CB 3.45Å; Q50-L54 PolarHBondContact O-N 2.83Å; Q50-L54 VanDerWaalsContact O-N 3.14Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.37Å; L54-M57 HydrophobicContact CG-CE 4.46Å; L54-M57 PolarHBondContact O-N 2.88Å; L54-L58 HydrophobicContact CD2-CD1 3.92Å; L54-L58 HydrophobicContact CD2-CG 4.32Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CD1 3.4Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 3.44Å
55	D	56.5	Low	54.6	Low	101 Å²	101	108.5 Å²	108.5	54%	0.54	60%	0.601	S	S	.	*	H	α-helix	trans	-68.6	-35.3	175.6	-87.3	-11.3	0	0	0	112.1	R51 K52 S59	R51-D55 WeakPolarHBondContact O-CB 3.4Å; R51-D55 PolarHBondContact O-N 2.88Å; R51-D55 VanDerWaalsContact O-N 3.12Å; K52-D55 PolarHBondContact O-N 3.4Å; D55-S59 WeakPolarHBondContact O-CB 3.42Å; D55-S59 PolarHBondContact O-N 3.46Å
56	E	65.4	Low	55.3	Low	146 Å²	146	110.2 Å²	110.2	68%	0.682	60%	0.596	S	S	*	*	H	α-helix	trans	-67.1	-41.2	172.3	-98.8	-174.4	163.6	0	0	112.1	K52 S59 S60	K52-E56 PolarHBondContact O-N 3.33Å; E56-S59 PolarHBondContact O-N 3.36Å; E56-S60 PolarHBondContact O-N 2.97Å; E56-S60 VanDerWaalsContact O-N 3.16Å
57	M	59.3	Low	55.5	Low	112 Å²	112	107.6 Å²	107.6	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-65	-42.2	175.1	-75.6	-167.9	-69.4	0	0	112	D53 L54 S59 S60 L61	D53-M57 WeakPolarHBondContact O-CB 3.37Å; D53-M57 WeakPolarHBondContact O-CG 3.34Å; D53-M57 PolarHBondContact O-N 2.88Å; L54-M57 HydrophobicContact CG-CE 4.46Å; L54-M57 PolarHBondContact O-N 2.88Å; M57-S59 PolarHBondContact O-N 2.9Å; M57-S60 PolarHBondContact O-N 3.48Å; M57-S60 PolarHBondContact O-OG 3.08Å; M57-L61 WeakPolarHBondContact O-CD1 3.49Å; M57-L61 PolarHBondContact O-N 2.93Å
58	L	59.1	Low	55.6	Low	77 Å²	77	108.9 Å²	108.9	40%	0.403	59%	0.593	S	S	.	*	H	α-helix	trans	-68.5	-33.4	178.5	-72.2	167.3	0	0	0	112.9	L54 L61 G62 V63	L54-L58 HydrophobicContact CD2-CD1 3.92Å; L54-L58 HydrophobicContact CD2-CG 4.32Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CD1 3.4Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 3.44Å; L58-L61 PolarHBondContact O-N 3.16Å; L58-G62 PolarHBondContact O-N 3.09Å; L58-V63 PolarHBondContact O-N 3.4Å
59	S	64.4	Low	55.7	Low	82 Å²	82	104.1 Å²	104.1	57%	0.573	58%	0.579	S	S	*	*	H	α-helix	trans	-64.9	-38.6	172.9	-173.7	0	0	0	0	112.2	D55 E56 M57 L61 G62	D55-S59 WeakPolarHBondContact O-CB 3.42Å; D55-S59 PolarHBondContact O-N 3.46Å; E56-S59 PolarHBondContact O-N 3.36Å; M57-S59 PolarHBondContact O-N 2.9Å; S59-L61 PolarHBondContact O-N 2.88Å; S59-G62 PolarHBondContact O-N 3.11Å; S59-G62 VanDerWaalsContact O-N 3.09Å
60	S	60	Low	55.5	Low	96 Å²	96	104 Å²	104	67%	0.671	58%	0.578	S	S	*	*	H	α-helix	trans	-67.8	-21.5	176.9	78.8	0	0	0	0	113.9	E56 M57	E56-S60 PolarHBondContact O-N 2.97Å; E56-S60 VanDerWaalsContact O-N 3.16Å; M57-S60 PolarHBondContact O-N 3.48Å; M57-S60 PolarHBondContact O-OG 3.08Å
61	L	58.4	Low	55.2	Low	138 Å²	138	101.3 Å²	101.3	72%	0.723	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	4.1	173.6	-83.8	101.1	0	0	0	113.8	M57 L58 S59	M57-L61 WeakPolarHBondContact O-CD1 3.49Å; M57-L61 PolarHBondContact O-N 2.93Å; L58-L61 PolarHBondContact O-N 3.16Å; S59-L61 PolarHBondContact O-N 2.88Å
62	G	47.6	Very low	54.8	Low	70 Å²	70	96.6 Å²	96.6	72%	0.722	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.2	18.2	173.6	0	0	0	0	0	115.2	L58 S59	L58-G62 PolarHBondContact O-N 3.09Å; S59-G62 PolarHBondContact O-N 3.11Å; S59-G62 VanDerWaalsContact O-N 3.09Å
63	V	54.5	Low	54.4	Low	93 Å²	93	95.6 Å²	95.6	56%	0.564	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-97.5	118.8	173.7	-176.8	0	0	0	0	108.9	L58	L58-V63 PolarHBondContact O-N 3.4Å
64	A	49.2	Very low	53.5	Low	58 Å²	58	95.2 Å²	95.2	48%	0.479	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-72.8	145.1	-179	0	0	0	0	0	112
65	P	52.9	Low	52.5	Low	65 Å²	65	94.8 Å²	94.8	42%	0.422	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-68.1	146	-176.6	24.9	-31	0	0	0	112.6	S67 E68	P65-S67 PolarHBondContact O-N 2.86Å; P65-E68 PolarHBondContact O-N 3.42Å
66	V	51.6	Low	51.8	Low	112 Å²	112	95.6 Å²	95.6	68%	0.679	59%	0.586	S	S	*	*	H	α-helix	trans	-55.5	-22.2	-172.1	-179.2	0	0	0	0	113.7	E68 V69 L70	V66-E68 VanDerWaalsContact C-N 3.35Å; V66-E68 PolarHBondContact O-N 3.38Å; V66-V69 PolarHBondContact O-N 3.16Å; V66-L70 PolarHBondContact O-N 3.47Å
67	S	52.4	Low	50.4	Low	87 Å²	87	95.8 Å²	95.8	61%	0.608	59%	0.591	S	S	*	*	H	α-helix	trans	-65.6	-31	176.1	52	0	0	0	0	114	P65 S71	P65-S67 PolarHBondContact O-N 2.86Å; S67-S71 PolarHBondContact O-N 3.02Å
68	E	51.1	Low	49.1	Very low	116 Å²	116	94.5 Å²	94.5	54%	0.542	59%	0.593	S	S	.	*	H	α-helix	trans	-78.1	-31.3	178.8	-72.5	-169	154	0	0	112.2	P65 V66 L70 S71 S72	P65-E68 PolarHBondContact O-N 3.42Å; V66-E68 VanDerWaalsContact C-N 3.35Å; V66-E68 PolarHBondContact O-N 3.38Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.21Å; E68-S71 PolarHBondContact O-N 3.5Å; E68-S71 PolarHBondContact O-OG 2.95Å; E68-S72 PolarHBondContact O-N 3Å; E68-S72 PolarHBondContact O-OG 2.95Å
69	V	51.8	Low	47.9	Very low	82 Å²	82	99.4 Å²	99.4	50%	0.497	62%	0.616	S	S	.	*	H	α-helix	trans	-65.5	-38.6	177	-177.4	0	0	0	0	111	V66 S72 L73	V66-V69 PolarHBondContact O-N 3.16Å; V69-S72 PolarHBondContact O-N 3.01Å; V69-L73 HydrophobicContact CG1-CD1 4.47Å; V69-L73 PolarHBondContact O-N 3.36Å
70	L	47.4	Very low	46.2	Very low	118 Å²	118	102.2 Å²	102.2	62%	0.618	63%	0.63	S	S	*	*	H	α-helix	trans	-70.7	-32.1	178.1	-69.4	171.4	0	0	0	113	V66 E68 S72 L73 S74	V66-L70 PolarHBondContact O-N 3.47Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.21Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 2.96Å; L70-L73 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-N 2.86Å
71	S	47	Very low	44.8	Very low	65 Å²	65	102.8 Å²	102.8	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-70	-24.8	174.9	73.7	0	0	0	0	113.6	S67 E68 S74 S75	S67-S71 PolarHBondContact O-N 3.02Å; E68-S71 PolarHBondContact O-N 3.5Å; E68-S71 PolarHBondContact O-OG 2.95Å; S71-S74 PolarHBondContact O-OG 3.29Å; S71-S75 PolarHBondContact O-OG 3.37Å
72	S	47.2	Very low	43.3	Very low	79 Å²	79	103.2 Å²	103.2	55%	0.552	64%	0.637	S	S	*	*	H	α-helix	trans	-76.8	-31.1	178.5	-54.2	0	0	0	0	112.3	E68 V69 L70	E68-S72 PolarHBondContact O-N 3Å; E68-S72 PolarHBondContact O-OG 2.95Å; V69-S72 PolarHBondContact O-N 3.01Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 2.96Å
73	L	45.7	Very low	42.5	Very low	123 Å²	123	107.8 Å²	107.8	64%	0.644	65%	0.645	S	S	*	*	H	α-helix	trans	-78.3	-26.8	177	-89.3	132.7	0	0	0	113.5	V69 L70 S75	V69-L73 HydrophobicContact CG1-CD1 4.47Å; V69-L73 PolarHBondContact O-N 3.36Å; L70-L73 PolarHBondContact O-N 3.37Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.31Å
74	S	42.3	Very low	41.3	Very low	84 Å²	84	108.6 Å²	108.6	59%	0.587	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-12	177.6	49.6	0	0	0	0	114.5	L70 S71	L70-S74 PolarHBondContact O-N 2.86Å; S71-S74 PolarHBondContact O-OG 3.29Å
75	S	38.6	Very low	40.3	Very low	87 Å²	87	113.3 Å²	113.3	61%	0.608	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-3.6	-175	-54.9	0	0	0	0	114.2	S71 L73	S71-S75 PolarHBondContact O-OG 3.37Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.31Å
76	V	41	Very low	39.3	Very low	118 Å²	118	115.4 Å²	115.4	72%	0.715	68%	0.684	S	S	*	*	S	Bend	trans	-99.9	-13	-177	-169	0	0	0	0	112.7
77	N	36.8	Very low	38.3	Very low	150 Å²	150	118.9 Å²	118.9	80%	0.802	69%	0.692	S	S	*	*	S	Bend	trans	-98.2	14.5	-176.3	-86	-2.5	0	0	0	115.3
78	S	31.9	Very low	37.5	Very low	84 Å²	84	121 Å²	121	59%	0.587	70%	0.701	S	S	*	*			trans	-116.5	41.5	-175.7	52.2	0	0	0	0	114
79	M	33.6	Very low	36.7	Very low	181 Å²	181	121.6 Å²	121.6	89%	0.892	72%	0.716	S	S	*	*			trans	-135	67.5	166.3	-77.7	-70.1	142.6	0	0	111.4
80	T	30	Very low	35.4	Very low	141 Å²	141	125.2 Å²	125.2	87%	0.865	73%	0.732	S	S	*	*			trans	-145.2	103.7	153	55.6	0	0	0	0	109
81	S	30.5	Very low	34.6	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	74%	0.737	S	S	*	*			trans	-108.2	127.7	161.3	57.2	0	0	0	0	109
82	D	27	Very low	33.7	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	75%	0.752	S	S	*	*			trans	35.2	108.2	138.7	-59.8	-29.4	0	0	0	118.7
83	N	29	Very low	33	Very low	166 Å²	166	130.6 Å²	130.6	89%	0.888	77%	0.77	S	S	*	*				-165.2	113.5	126.4	-107.4	-24.8	0	0	0	111.8
84	S	30.1	Very low	32.4	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	78%	0.781	S	S	*	*			trans	-76.2	121.3	161.9	53.7	0	0	0	0	109.9
85	N	28.4	Very low	31.7	Very low	157 Å²	157	134.2 Å²	134.2	84%	0.84	79%	0.791	S	S	*	*			trans	-159.3	137.3	141.6	-114.8	-17.7	0	0	0	112.8
86	T	32.1	Very low	31.3	Very low	110 Å²	110	136.9 Å²	136.9	68%	0.675	80%	0.804	S	S	*	*			trans	-40.1	136.8	173.3	52.3	0	0	0	0	115.3
87	Q	29.5	Very low	30.8	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	81%	0.805	S	S	*	*				174.6	136.9	122.7	-93.8	169.2	19.3	0	0	111.9
88	T	35.4	Very low	30.4	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	81%	0.807	S	S	*	*			trans	-63.6	154.5	169.1	46.4	0	0	0	0	112.4
89	P	36	Very low	30.2	Very low	129 Å²	129	136.8 Å²	136.8	84%	0.838	81%	0.814	S	S	*	*			trans	-129.5	103.5	145.7	31.2	-15.1	0	0	0	111.3
90	D	24.5	Very low	30.2	Very low	159 Å²	159	137.5 Å²	137.5	85%	0.85	82%	0.815	S	S	*	*			trans	-82.2	159.2	151.2	-168.1	10.7	0	0	0	108.6
91	A	29.2	Very low	30.2	Very low	86 Å²	86	136.7 Å²	136.7	71%	0.711	82%	0.815	S	S	*	*			trans	78.5	86.4	171	0	0	0	0	0	118.9
92	S	29.5	Very low	30.4	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	82%	0.817	S	S	*	*				-170.4	101.9	128	48.3	0	0	0	0	111.1
93	L	32.8	Very low	30.6	Very low	177 Å²	177	132 Å²	132	93%	0.927	82%	0.818	S	S	*	*				168.3	115.3	120.8	-84.2	164.9	0	0	0	109.8
94	Q	31.2	Very low	30.9	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	82%	0.817	S	S	*	*			trans	-73.4	149.7	-177.6	-70.3	172.9	-22.8	0	0	112.3
95	A	29.6	Very low	31.5	Very low	97 Å²	97	138.1 Å²	138.1	80%	0.802	82%	0.823	S	S	*	*			trans	-60.9	139.4	164.4	0	0	0	0	0	111.7
96	T	28.1	Very low	32.5	Very low	144 Å²	144	138.9 Å²	138.9	88%	0.883	82%	0.821	S	S	*	*			trans	-131.2	121.4	161.3	-7.4	0	0	0	0	109.2
97	V	31.6	Very low	33	Very low	122 Å²	122	138.5 Å²	138.5	74%	0.739	82%	0.821	S	S	*	*			trans	-92.3	122.5	173.9	175.5	0	0	0	0	107.9
98	N	29.2	Very low	34.1	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	82%	0.822	S	S	*	*			trans	169.9	134.9	131.3	-94.5	-23.5	0	0	0	113.6
99	G	27.9	Very low	34.3	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	82%	0.823	S	S	*	*				91.5	91.7	125.7	0	0	0	0	0	119.8
100	Q	31.8	Very low	34.8	Very low	196 Å²	196	140.8 Å²	140.8	92%	0.916	83%	0.825	S	S	*	*			trans	43.9	117.8	139	-63	-177	-7.7	0	0	120.6
101	S	29.9	Very low	36	Very low	124 Å²	124	137.2 Å²	137.2	87%	0.867	81%	0.813	S	S	*	*				-170	137.3	114.3	48.1	0	0	0	0	111	G103	S101-G103 PolarHBondContact O-N 3.14Å
102	G	36.2	Very low	37.3	Very low	77 Å²	77	139.9 Å²	139.9	79%	0.794	82%	0.82	S	S	*	*			trans	-69.1	123.3	-169.5	0	0	0	0	0	114.3	K104	G102-K104 PolarHBondContact O-N 3.23Å
103	G	31	Very low	37.8	Very low	78 Å²	78	144 Å²	144	80%	0.804	82%	0.82	S	S	*	*			trans	-74	109.1	161.7	0	0	0	0	0	110.1	S101 K105	S101-G103 PolarHBondContact O-N 3.14Å; G103-K105 PolarHBondContact O-N 2.91Å
104	K	34.2	Very low	38.4	Very low	202 Å²	202	142.5 Å²	142.5	88%	0.878	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-56.1	122.1	173.3	-70	177	177	177.2	0	109.8	G102 Q106	G102-K104 PolarHBondContact O-N 3.23Å; K104-Q106 PolarHBondContact O-N 2.87Å
105	K	43.3	Very low	39.1	Very low	202 Å²	202	139.3 Å²	139.3	88%	0.878	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-59.7	123.2	165.6	-73.8	-178	176.6	-179.7	0	108.4	G103	G103-K105 PolarHBondContact O-N 2.91Å
106	Q	49.8	Very low	39.9	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-59.8	133.3	165	-73.2	-79.1	-11.5	0	0	108.6	K104 L108	K104-Q106 PolarHBondContact O-N 2.87Å; Q106-L108 PolarHBondContact O-N 3.13Å
107	P	41.5	Very low	41	Very low	103 Å²	103	140.5 Å²	140.5	67%	0.669	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.1	128	175.8	27.3	-31.3	0	0	0	109.5	N109	P107-N109 PolarHBondContact O-N 2.91Å
108	L	53.2	Low	41.8	Very low	168 Å²	168	140.6 Å²	140.6	88%	0.88	80%	0.802	S	S	*	*			trans	-64.8	111.9	169.1	-79.9	145.5	0	0	0	108.5	Q106 L110	Q106-L108 PolarHBondContact O-N 3.13Å; L108-L110 PolarHBondContact O-N 3.09Å
109	N	39.3	Very low	43	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	80%	0.799	S	S	*	*			trans	-73.7	112	169.6	-81.9	-21.6	0	0	0	108.8	P107 S111	P107-N109 PolarHBondContact O-N 2.91Å; N109-S111 PolarHBondContact O-N 3.31Å
110	L	47.2	Very low	44.3	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	80%	0.801	S	S	*	*			trans	-68.7	116.4	164.3	-99.8	96.3	0	0	0	108.9	L108	L108-L110 PolarHBondContact O-N 3.09Å
111	S	49.6	Very low	45.5	Very low	85 Å²	85	138.9 Å²	138.9	59%	0.594	79%	0.786	S	S	*	*			trans	-98.3	121.1	165	57.5	0	0	0	0	109.5	N109 Y113	N109-S111 PolarHBondContact O-N 3.31Å; S111-Y113 PolarHBondContact O-N 2.54Å
112	V	55.5	Low	46.9	Very low	142 Å²	142	138.8 Å²	138.8	86%	0.861	78%	0.782	S	S	*	*			trans	-71.9	112.5	170.4	177.9	0	0	0	0	108.2
113	Y	40.7	Very low	47.7	Very low	196 Å²	196	144.8 Å²	144.8	77%	0.769	79%	0.787	S	S	*	*			trans	-90.8	123.9	167.2	-89.3	-89.9	0	0	0	108.9	S111 V115	S111-Y113 PolarHBondContact O-N 2.54Å; Y113-V115 PolarHBondContact O-N 2.9Å; Y113-V115 VanDerWaalsContact O-N 3.15Å
114	N	45.2	Very low	48.8	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	79%	0.788	S	S	*	*			trans	-76.3	101.6	173.9	-161.9	12.2	0	0	0	108.4	Q116	N114-Q116 PolarHBondContact O-N 2.8Å
115	V	46.6	Very low	49.5	Very low	120 Å²	120	146.1 Å²	146.1	73%	0.727	78%	0.784	S	S	*	*			trans	-73.5	105.6	175.9	179	0	0	0	0	107.6	Y113 A117	Y113-V115 PolarHBondContact O-N 2.9Å; Y113-V115 VanDerWaalsContact O-N 3.15Å; V115-A117 PolarHBondContact O-N 2.78Å
116	Q	45.9	Very low	49.4	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	78%	0.783	S	S	*	*			trans	-72.7	96.5	167.1	-74.2	-157	-20.2	0	0	108.9	N114 T118	N114-Q116 PolarHBondContact O-N 2.8Å; Q116-T118 PolarHBondContact O-N 2.9Å
117	A	51.6	Low	49.2	Very low	94 Å²	94	141.9 Å²	141.9	78%	0.777	78%	0.78	S	S	*	*			trans	-70.8	106.5	167.7	0	0	0	0	0	108.8	V115	V115-A117 PolarHBondContact O-N 2.78Å
118	T	48.6	Very low	49.2	Very low	124 Å²	124	147 Å²	147	76%	0.761	79%	0.787	S	S	*	*			trans	-91.5	106.1	168.5	5	0	0	0	0	107.8	Q116 I120	Q116-T118 PolarHBondContact O-N 2.9Å; T118-I120 PolarHBondContact O-N 2.83Å
119	N	53.7	Low	48.9	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	78%	0.777	S	S	*	*			trans	-78.9	113	171.1	-171.3	-11.6	0	0	0	107.8	P121	N119-P121 VanDerWaalsContact O-CD 3.26Å; N119-P121 WeakPolarHBondContact O-CD 3.26Å
120	I	54.8	Low	49.1	Very low	147 Å²	147	145.4 Å²	145.4	75%	0.754	78%	0.775	S	S	*	*			trans	-92	106.1	175.3	-58.2	170.7	0	0	0	106.7	T118	T118-I120 PolarHBondContact O-N 2.83Å
121	P	57.7	Low	48.8	Very low	94 Å²	94	145.8 Å²	145.8	61%	0.61	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-65.3	146.5	175.5	26.8	-32.5	0	0	0	110.2	N119	N119-P121 VanDerWaalsContact O-CD 3.26Å; N119-P121 WeakPolarHBondContact O-CD 3.26Å
122	P	59.3	Low	48.3	Very low	121 Å²	121	147.7 Å²	147.7	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-60.9	140.3	179.1	24.7	-32.2	0	0	0	110.7	E124	P122-E124 PolarHBondContact O-N 2.88Å
123	K	53.9	Low	47.1	Very low	203 Å²	203	149.7 Å²	149.7	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.8	116.3	178.8	-73	-178.6	176.1	179.9	0	109.8	T125	K123-T125 PolarHBondContact O-N 2.87Å
124	E	52.6	Low	46.8	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.5	118.8	167.6	-75.7	-177.5	163	0	0	109.4	P122 L126	P122-E124 PolarHBondContact O-N 2.88Å; E124-L126 PolarHBondContact O-N 3.24Å
125	T	50.5	Low	46.3	Very low	131 Å²	131	145.8 Å²	145.8	80%	0.804	78%	0.783	S	S	*	*			trans	-83	100.3	170.5	10.2	0	0	0	0	107.4	K123 V127	K123-T125 PolarHBondContact O-N 2.87Å; T125-V127 PolarHBondContact O-N 3.26Å
126	L	39.8	Very low	45.6	Very low	164 Å²	164	145.3 Å²	145.3	86%	0.859	79%	0.785	S	S	*	*			trans	-70.2	97.4	172.8	-74.1	165.1	0	0	0	108.9	E124 Y128	E124-L126 PolarHBondContact O-N 3.24Å; L126-Y128 PolarHBondContact O-N 2.91Å
127	V	46.4	Very low	44.9	Very low	122 Å²	122	144.2 Å²	144.2	74%	0.739	79%	0.79	S	S	*	*			trans	-79.3	112.6	170	-177.5	0	0	0	0	107.9	T125 T129	T125-V127 PolarHBondContact O-N 3.26Å; V127-T129 HydrophobicContact CG1-CG2 4.41Å; V127-T129 PolarHBondContact O-N 3.41Å
128	Y	40.9	Very low	43.9	Very low	210 Å²	210	143.6 Å²	143.6	82%	0.824	79%	0.793	S	S	*	*			trans	-85.9	103.9	175.4	-160.1	-91.3	0	0	0	109.4	L126 K130	L126-Y128 PolarHBondContact O-N 2.91Å; Y128-K130 HydrophobicContact CD1-CB 4.44Å; Y128-K130 HydrophobicContact CE1-CB 4.35Å
129	T	47.4	Very low	43	Very low	109 Å²	109	141.7 Å²	141.7	67%	0.669	80%	0.798	S	S	*	*			trans	-89.5	111.7	167.3	49.1	0	0	0	0	108.9	V127 Q131	V127-T129 HydrophobicContact CG1-CG2 4.41Å; V127-T129 PolarHBondContact O-N 3.41Å; T129-Q131 PolarHBondContact O-N 3.5Å; T129-Q131 VanDerWaalsContact O-N 3.11Å
130	K	43.9	Very low	41.8	Very low	181 Å²	181	138.2 Å²	138.2	79%	0.787	80%	0.797	S	S	*	*			trans	-78.7	92.7	175.8	-168.4	-178.7	-178.3	-177.3	0	108.9	Y128	Y128-K130 HydrophobicContact CD1-CB 4.44Å; Y128-K130 HydrophobicContact CE1-CB 4.35Å
131	Q	40.2	Very low	40.6	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	80%	0.804	S	S	*	*			trans	-86.6	120.2	166.1	-79.7	-175.7	-13.3	0	0	109.7	T129 Q133	T129-Q131 PolarHBondContact O-N 3.5Å; T129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-Q133 PolarHBondContact O-N 3.39Å
132	T	38.8	Very low	39.2	Very low	125 Å²	125	137.9 Å²	137.9	77%	0.767	81%	0.807	S	S	*	*			trans	-75.8	110.5	174.2	-42.7	0	0	0	0	108.5	T134	T132-T134 PolarHBondContact O-N 2.96Å
133	Q	31.7	Very low	37.8	Very low	184 Å²	184	139.4 Å²	139.4	86%	0.86	81%	0.808	S	S	*	*			trans	-84	105.9	179.9	-168.9	175.4	29.7	0	0	109.9	Q131	Q131-Q133 PolarHBondContact O-N 3.39Å
134	T	34.3	Very low	36.7	Very low	126 Å²	126	137.3 Å²	137.3	77%	0.773	81%	0.807	S	S	*	*			trans	-95.8	122.8	163.6	46.9	0	0	0	0	109.8	T132 S136	T132-T134 PolarHBondContact O-N 2.96Å; T134-S136 PolarHBondContact O-N 3.38Å
135	T	32.9	Very low	35.8	Very low	133 Å²	133	136 Å²	136	82%	0.816	80%	0.801	S	S	*	*			trans	-71.4	119.1	174.6	50.3	0	0	0	0	111.2
136	S	32.5	Very low	35	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	80%	0.797	S	S	*	*			trans	-145.5	120.7	153.3	57.7	0	0	0	0	111.3	T134	T134-S136 PolarHBondContact O-N 3.38Å
137	T	30.8	Very low	34.6	Very low	148 Å²	148	137.4 Å²	137.4	91%	0.908	79%	0.791	S	S	*	*			trans	-50	140.1	169.7	32	0	0	0	0	115
138	G	31.4	Very low	33.8	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	80%	0.8	S	S	*	*			trans	127	102.3	138.8	0	0	0	0	0	118.1
139	G	29.6	Very low	33.5	Very low	85 Å²	85	137.1 Å²	137.1	88%	0.876	80%	0.799	S	S	*	*				84.1	111.7	129.5	0	0	0	0	0	121.1
140	G	28.1	Very low	33.2	Very low	74 Å²	74	138 Å²	138	76%	0.763	81%	0.806	S	S	*	*				88.5	111.3	120.2	0	0	0	0	0	120.9
141	N	29.1	Very low	32.5	Very low	171 Å²	171	132.4 Å²	132.4	91%	0.914	80%	0.801	S	S	*	*			trans	52.2	130.5	141.3	-63.9	-7.3	0	0	0	122.8
142	G	28.5	Very low	32.2	Very low	64 Å²	64	132.2 Å²	132.2	66%	0.66	81%	0.805	S	S	*	*				97.8	111	125	0	0	0	0	0	118.4
143	D	31.7	Very low	31.7	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	81%	0.807	S	S	*	*			trans	54.5	143.8	134.5	-50.7	-21.7	0	0	0	122.9
144	D	30.8	Very low	31.8	Very low	159 Å²	159	136.8 Å²	136.8	85%	0.85	81%	0.807	S	S	*	*			trans	98	147.6	146	-62.2	-22.4	0	0	0	123.2
145	E	32	Very low	31.6	Very low	149 Å²	149	138.7 Å²	138.7	70%	0.696	81%	0.807	S	S	*	*			trans	-74.7	176.2	-165.2	-65.8	173.3	139.4	0	0	116.2
146	Y	34.8	Very low	31.5	Very low	185 Å²	185	140.1 Å²	140.1	73%	0.725	81%	0.81	S	S	*	*			trans	103.4	107.4	155.7	-63.1	-79.8	0	0	0	119.9
147	N	30.3	Very low	31.4	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	81%	0.814	S	S	*	*				40.2	125.1	124.1	-76.8	-22.2	0	0	0	120.8
148	L	30.4	Very low	31.4	Very low	175 Å²	175	146 Å²	146	92%	0.916	81%	0.812	S	S	*	*				164.9	120.7	113.3	-89	146.3	0	0	0	111.9
149	N	33.6	Very low	31.3	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	81%	0.812	S	S	*	*			trans	-66.1	176.7	154.2	-94.4	-5.7	0	0	0	110.1
150	P	41.9	Very low	31.4	Very low	126 Å²	126	150.9 Å²	150.9	82%	0.818	81%	0.809	S	S	*	*			cis	-137.5	177.9	-7.4	28.4	-5.1	0	0	0	114
151	G	29.7	Very low	31.6	Very low	65 Å²	65	155 Å²	155	67%	0.67	81%	0.813	S	S	*	*			trans	115.1	103.1	145.3	0	0	0	0	0	115.9
152	L	32.9	Very low	31.7	Very low	173 Å²	173	151.5 Å²	151.5	91%	0.906	81%	0.808	S	S	*	*			trans	-158.7	96.7	151.2	-113.4	120.5	0	0	0	108.7
153	E	29.7	Very low	31.6	Very low	175 Å²	175	158.4 Å²	158.4	82%	0.818	82%	0.82	S	S	*	*			trans	-57.8	140.2	146.4	-68.7	170.7	156.4	0	0	107.9
154	W	32.7	Very low	31.5	Very low	230 Å²	230	158.9 Å²	158.9	87%	0.871	82%	0.822	S	S	*	*				-172.5	132.7	123.5	-88.1	103.6	0	0	0	108.5
155	E	29.3	Very low	31.6	Very low	165 Å²	165	155.3 Å²	155.3	77%	0.771	82%	0.815	S	S	*	*			trans	-57.1	149.9	173.2	-56.5	173	148.6	0	0	111.2
156	D	31.2	Very low	31.5	Very low	164 Å²	164	157.1 Å²	157.1	88%	0.877	82%	0.824	S	S	*	*			trans	-152.2	133.6	142.9	-99.3	-26.2	0	0	0	111.6
157	E	31.2	Very low	31.3	Very low	184 Å²	184	151.4 Å²	151.4	86%	0.86	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.8	134	-165	-168.4	173.8	-175.2	0	0	112.7
158	F	31.1	Very low	31.3	Very low	198 Å²	198	153 Å²	153	87%	0.868	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-87.1	121.9	174.1	-106.4	-94.3	0	0	0	110.5	V160	F158-V160 PolarHBondContact O-N 2.94Å
159	T	29.2	Very low	31.3	Very low	133 Å²	133	152.1 Å²	152.1	82%	0.816	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71.9	118.7	174.1	-30.3	0	0	0	0	110.2
160	V	31.1	Very low	31.2	Very low	135 Å²	135	154.6 Å²	154.6	82%	0.818	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-102.3	118.4	174.5	-162.1	0	0	0	0	108.6	F158	F158-V160 PolarHBondContact O-N 2.94Å
161	L	32.2	Very low	30.8	Very low	159 Å²	159	157.1 Å²	157.1	83%	0.832	83%	0.833	S	S	*	*			trans	-95.4	113.1	173.5	-75.2	170.8	0	0	0	109.5
162	A	31	Very low	30.8	Very low	98 Å²	98	158.7 Å²	158.7	81%	0.81	83%	0.834	S	S	*	*			trans	-78.7	141.5	172.1	0	0	0	0	0	111
163	F	28	Very low	30.7	Very low	210 Å²	210	155.7 Å²	155.7	92%	0.921	83%	0.827	S	S	*	*			trans	-110.5	127.4	171	-115.2	-90.2	0	0	0	108.4
164	D	28.4	Very low	30.7	Very low	162 Å²	162	155.3 Å²	155.3	87%	0.866	83%	0.83	S	S	*	*			trans	-140	152.4	171.4	-110.3	-18.4	0	0	0	110
165	A	32.9	Very low	30.6	Very low	84 Å²	84	152.7 Å²	152.7	69%	0.694	83%	0.828	S	S	*	*			trans	99	101.7	163	0	0	0	0	0	119.8
166	Q	30.8	Very low	30.7	Very low	188 Å²	188	152 Å²	152	88%	0.879	83%	0.829	S	S	*	*				62.3	113.8	119	-117	89.4	17.4	0	0	121.9
167	G	29.3	Very low	30.7	Very low	65 Å²	65	151.3 Å²	151.3	67%	0.67	83%	0.825	S	S	*	*				36	124.7	126.8	0	0	0	0	0	122.1
168	D	30.1	Very low	30.5	Very low	171 Å²	171	146.1 Å²	146.1	91%	0.914	82%	0.821	S	S	*	*				-179.1	144.9	105.7	-94.8	-12.9	0	0	0	111.6
169	D	31.9	Very low	30.6	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	82%	0.824	S	S	*	*			trans	-70.4	151.6	176.7	-61	-56.1	0	0	0	112.5
170	E	31.3	Very low	30.7	Very low	204 Å²	204	142.1 Å²	142.1	95%	0.953	82%	0.819	S	S	*	*				-175.5	147.6	129.9	-103.6	-174.6	-166.5	0	0	114.7
171	E	32.8	Very low	30.5	Very low	179 Å²	179	145.3 Å²	145.3	84%	0.836	82%	0.823	S	S	*	*			trans	-73	155.6	-172.2	-97.5	178.8	135	0	0	116.8
172	S	30.1	Very low	30.4	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	81%	0.814	S	S	*	*			trans	54.4	123.2	136	87	0	0	0	0	120.8
173	S	30.2	Very low	30.5	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	81%	0.809	S	S	*	*				162.4	126.7	114.3	50.2	0	0	0	0	113.7
174	L	30.1	Very low	30.9	Very low	167 Å²	167	142.4 Å²	142.4	87%	0.874	81%	0.807	S	S	*	*			trans	133.1	104.1	138	-76.8	162.2	0	0	0	116.6
175	Q	31.5	Very low	31.1	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	81%	0.808	S	S	*	*			trans	-86.5	138.4	148.3	-74.6	162.8	-15.4	0	0	108.9
176	N	30.2	Very low	31	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	81%	0.812	S	S	*	*				160.4	149.5	111.4	-117	-14.9	0	0	0	115.3
177	L	30.9	Very low	31.4	Very low	151 Å²	151	141.9 Å²	141.9	79%	0.791	81%	0.811	S	S	*	*			trans	81	108.5	150.9	-99.1	73.9	0	0	0	121.6
178	G	28.2	Very low	31.5	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	81%	0.81	S	S	*	*				86.1	111.5	82.9	0	0	0	0	0	118.5
179	N	33.1	Very low	31.7	Very low	176 Å²	176	144.1 Å²	144.1	94%	0.941	81%	0.808	S	S	*	*			trans	-33.6	135.2	173.3	-75.2	10.4	0	0	0	119
180	G	30.1	Very low	32	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	81%	0.805	S	S	*	*				107.1	102.6	123.2	0	0	0	0	0	118.3
181	F	26.7	Very low	32.3	Very low	203 Å²	203	140.6 Å²	140.6	89%	0.89	80%	0.8	S	S	*	*			trans	-149.3	124.5	151.9	-132.1	-94.1	0	0	0	114
182	T	31.6	Very low	32.7	Very low	105 Å²	105	140.4 Å²	140.4	64%	0.644	80%	0.799	S	S	*	*			trans	-19	144.3	166	76.7	0	0	0	0	120.6
183	S	32.6	Very low	32.9	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	80%	0.801	S	S	*	*				160.9	132	92.8	69.3	0	0	0	0	115.6
184	K	36	Very low	33.4	Very low	200 Å²	200	141.4 Å²	141.4	87%	0.87	80%	0.804	S	S	*	*			trans	66.8	100.9	140.8	-52.9	-106	-177.7	173.2	0	120.2
185	L	32.6	Very low	34	Very low	170 Å²	170	138.8 Å²	138.8	89%	0.89	80%	0.797	S	S	*	*			trans	-120	144.7	140.3	-82.8	160.5	0	0	0	109.2
186	P	30.9	Very low	34.6	Very low	120 Å²	120	136.6 Å²	136.6	78%	0.779	80%	0.796	S	S	*	*			trans	-78.6	163.1	177.5	14.6	-1.2	0	0	0	113
187	P	39.3	Very low	35.2	Very low	132 Å²	132	135.7 Å²	135.7	86%	0.857	80%	0.795	S	S	*	*			trans	-103	155.4	-152.1	37.8	-31.4	0	0	0	114.5
188	G	30.9	Very low	36	Very low	64 Å²	64	137 Å²	137	66%	0.66	80%	0.795	S	S	*	*			trans	168.9	82.5	163.1	0	0	0	0	0	117
189	Y	34.7	Very low	37.1	Very low	220 Å²	220	141.3 Å²	141.3	86%	0.863	80%	0.8	S	S	*	*			trans	64.1	92.7	148.5	-62.3	-80.3	0	0	0	121
190	L	39	Very low	38	Very low	150 Å²	150	139 Å²	139	79%	0.785	79%	0.792	S	S	*	*				40.2	121.8	127.6	-57.3	172.1	0	0	0	119.1
191	T	37.3	Very low	39.1	Very low	136 Å²	136	139.6 Å²	139.6	83%	0.834	79%	0.79	S	S	*	*				162.2	139.8	103.7	44	0	0	0	0	109.2
192	H	40.8	Very low	40.1	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.815	78%	0.783	S	S	*	*			trans	80	65.8	171.5	-123	-73.1	0	0	0	118.2
193	G	34.8	Very low	40.9	Very low	73 Å²	73	134.8 Å²	134.8	75%	0.753	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-82.9	126.5	155.7	0	0	0	0	0	110.1
194	L	40.5	Very low	41.8	Very low	156 Å²	156	134.7 Å²	134.7	82%	0.817	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-50.8	137.4	179	-88.7	89.3	0	0	0	112.1	T196	L194-T196 PolarHBondContact O-N 2.98Å
195	P	42.1	Very low	42.6	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.6	125.7	173.6	-16.8	29.3	0	0	0	111	V197	P195-V197 PolarHBondContact O-N 2.95Å
196	T	43.5	Very low	43.6	Very low	130 Å²	130	125.3 Å²	125.3	80%	0.798	75%	0.747	S	S	*	*			trans	-60.3	111.9	161.5	47.9	0	0	0	0	108.7	L194 K198	L194-T196 PolarHBondContact O-N 2.98Å; T196-K198 PolarHBondContact O-N 3.34Å; T196-K198 VanDerWaalsContact O-N 3.11Å
197	V	44.7	Very low	44.6	Very low	130 Å²	130	125.9 Å²	125.9	79%	0.788	74%	0.743	S	S	*	*			trans	-61	111.2	171.1	175.3	0	0	0	0	107.5	P195	P195-V197 PolarHBondContact O-N 2.95Å
198	K	46.2	Very low	45.1	Very low	179 Å²	179	124.6 Å²	124.6	78%	0.778	73%	0.726	S	S	*	*			trans	-71.8	131.5	160.3	-78.2	-179.7	173.3	-179.6	0	106.6	T196 V200	T196-K198 PolarHBondContact O-N 3.34Å; T196-K198 VanDerWaalsContact O-N 3.11Å; K198-V200 PolarHBondContact O-N 3.48Å
199	D	52	Low	46	Very low	165 Å²	165	125.7 Å²	125.7	88%	0.882	72%	0.716	S	S	*	*			trans	-59.8	102	168	-66.9	-37.3	0	0	0	108.5	A201	D199-A201 PolarHBondContact O-N 3Å
200	V	52.3	Low	46.6	Very low	128 Å²	128	122.5 Å²	122.5	78%	0.776	71%	0.706	S	S	*	*			trans	-80.6	110.4	170.6	177.1	0	0	0	0	105.3	K198	K198-V200 PolarHBondContact O-N 3.48Å
201	A	53.1	Low	47.1	Very low	81 Å²	81	123.6 Å²	123.6	67%	0.669	71%	0.705	S	S	*	*			trans	-50	137.1	167.4	0	0	0	0	0	108.9	D199 A203	D199-A201 PolarHBondContact O-N 3Å; A201-A203 PolarHBondContact O-N 3.33Å
202	P	46.6	Very low	47.5	Very low	115 Å²	115	124.9 Å²	124.9	75%	0.747	70%	0.701	S	S	*	*			trans	-54.6	134.8	-171.9	21.4	-32.2	0	0	0	110.6	I204	P202-I204 PolarHBondContact O-N 3.28Å
203	A	49.1	Very low	47.7	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	69%	0.689	S	S	*	*			trans	-62	105.6	175.9	0	0	0	0	0	108.9	A201 T205	A201-A203 PolarHBondContact O-N 3.33Å; A203-T205 PolarHBondContact O-N 3.39Å; A203-T205 VanDerWaalsContact O-N 3.14Å
204	I	52	Low	48.3	Very low	99 Å²	99	125.2 Å²	125.2	51%	0.508	69%	0.69	S	S	.	*			trans	-59	118.2	176	-51.7	165.6	0	0	0	107	P202 E208 I209	P202-I204 PolarHBondContact O-N 3.28Å; I204-E208 HydrophobicContact CG2-CB 3.63Å; I204-I209 HydrophobicContact CB-CG1 4.24Å; I204-I209 HydrophobicContact CG2-CD1 4.3Å; I204-I209 HydrophobicContact CG2-CG1 3.48Å; I204-I209 VanDerWaalsContact CG2-CG1 3.48Å
205	T	52.3	Low	48.9	Very low	68 Å²	68	123 Å²	123	42%	0.417	68%	0.683	S	S	.	*			trans	-68	150.4	176.1	56.8	0	0	0	0	109.5	A203 L207 E208 I209	A203-T205 PolarHBondContact O-N 3.39Å; A203-T205 VanDerWaalsContact O-N 3.14Å; T205-L207 PolarHBondContact O-N 3.01Å; T205-E208 PolarHBondContact N-OE2 3.42Å; T205-E208 PolarHBondContact O-N 2.88Å; T205-E208 PolarHBondContact OG1-OE2 3.1Å; T205-I209 PolarHBondContact O-N 3.48Å
206	P	54.3	Low	49.3	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	69%	0.689	S	S	*	*	H	α-helix	trans	-59.1	-10	176.6	-21.3	31.2	0	0	0	114.4	K210	P206-K210 WeakPolarHBondContact O-CG 3.46Å; P206-K210 PolarHBondContact O-N 3.13Å
207	L	52.2	Low	49.8	Very low	133 Å²	133	129.5 Å²	129.5	70%	0.696	69%	0.689	S	S	*	*	H	α-helix	trans	-86.3	-30.1	174.2	-78.3	159.3	0	0	0	112.9	T205 K210 K211	T205-L207 PolarHBondContact O-N 3.01Å; L207-K210 PolarHBondContact O-N 3.26Å; L207-K211 PolarHBondContact O-N 3.32Å; L207-K211 VanDerWaalsContact O-N 3.1Å
208	E	49.6	Very low	50.2	Low	105 Å²	105	131.6 Å²	131.6	49%	0.491	69%	0.69	S	S	.	*	H	α-helix	trans	-77.5	-37.2	172.6	-77	167.9	152.4	0	0	111.3	I204 T205 K210 K211 E212	I204-E208 HydrophobicContact CG2-CB 3.63Å; T205-E208 PolarHBondContact N-OE2 3.42Å; T205-E208 PolarHBondContact O-N 2.88Å; T205-E208 PolarHBondContact OG1-OE2 3.1Å; E208-K210 PolarHBondContact O-N 3.44Å; E208-K211 PolarHBondContact O-N 3.44Å; E208-K211 VanDerWaalsContact O-N 3.09Å; E208-E212 PolarHBondContact O-N 3.43Å
209	I	49.4	Very low	50.7	Low	87 Å²	87	129 Å²	129	45%	0.446	69%	0.689	S	S	.	*	H	α-helix	trans	-59	-38.6	169.3	-56.5	178.2	0	0	0	109.9	I204 T205 T213	I204-I209 HydrophobicContact CB-CG1 4.24Å; I204-I209 HydrophobicContact CG2-CD1 4.3Å; I204-I209 HydrophobicContact CG2-CG1 3.48Å; I204-I209 VanDerWaalsContact CG2-CG1 3.48Å; T205-I209 PolarHBondContact O-N 3.48Å; I209-T213 VanDerWaalsContact O-CB 3.32Å; I209-T213 WeakPolarHBondContact O-CB 3.48Å; I209-T213 WeakPolarHBondContact O-CG2 3.46Å; I209-T213 PolarHBondContact O-N 3.1Å; I209-T213 PolarHBondContact O-OG1 3.26Å
210	K	47.4	Very low	51.2	Low	152 Å²	152	127.8 Å²	127.8	66%	0.661	68%	0.682	S	S	*	*	H	α-helix	trans	-71.5	-27	175.9	-84.9	-177.6	176.2	-178.5	0	114.6	P206 L207 E208 T213 E214	P206-K210 WeakPolarHBondContact O-CG 3.46Å; P206-K210 PolarHBondContact O-N 3.13Å; L207-K210 PolarHBondContact O-N 3.26Å; E208-K210 PolarHBondContact O-N 3.44Å; K210-T213 WeakPolarHBondContact CA-OG1 3.33Å; K210-E214 PolarHBondContact O-N 3.41Å
211	K	48.4	Very low	51.7	Low	174 Å²	174	129.9 Å²	129.9	76%	0.757	68%	0.684	S	S	*	*	H	α-helix	trans	-81.4	-31.3	174.5	-96.1	-178.1	173.4	179.7	0	112.7	L207 E208	L207-K211 PolarHBondContact O-N 3.32Å; L207-K211 VanDerWaalsContact O-N 3.1Å; E208-K211 PolarHBondContact O-N 3.44Å; E208-K211 VanDerWaalsContact O-N 3.09Å
212	E	46.1	Very low	52.5	Low	162 Å²	162	129.6 Å²	129.6	76%	0.757	67%	0.67	S	S	*	*	H	α-helix	trans	-81.5	-20	171.8	-69.8	-173.5	158.7	0	0	112.9	E208	E208-E212 PolarHBondContact O-N 3.43Å
213	T	44.5	Very low	54.2	Low	92 Å²	92	127.1 Å²	127.1	56%	0.564	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	21	169.3	52.5	0	0	0	0	113.9	I209 K210 V215	I209-T213 VanDerWaalsContact O-CB 3.32Å; I209-T213 WeakPolarHBondContact O-CB 3.48Å; I209-T213 WeakPolarHBondContact O-CG2 3.46Å; I209-T213 PolarHBondContact O-N 3.1Å; I209-T213 PolarHBondContact O-OG1 3.26Å; K210-T213 WeakPolarHBondContact CA-OG1 3.33Å; T213-V215 PolarHBondContact O-N 2.98Å
214	E	47.2	Very low	55.6	Low	164 Å²	164	130 Å²	130	77%	0.766	65%	0.653	S	S	*	*	S	Bend	trans	-73.6	77.4	148.8	-79.8	-167.3	171.8	0	0	108.1	K210 K216	K210-E214 PolarHBondContact O-N 3.41Å; E214-K216 PolarHBondContact O-N 3.45Å; E214-K216 VanDerWaalsContact O-N 3.16Å
215	V	53.3	Low	56.9	Low	110 Å²	110	132.2 Å²	132.2	67%	0.667	66%	0.661	S	S	*	*			trans	16.3	91.6	153.9	-171	0	0	0	0	112.7	T213 K217	T213-V215 PolarHBondContact O-N 2.98Å; V215-K217 HydrophobicContact CG1-CG 4.03Å; V215-K217 PolarHBondContact O-N 3.06Å
216	K	50.8	Low	58.2	Low	198 Å²	198	133.9 Å²	133.9	86%	0.861	67%	0.665	S	S	*	*			trans	-52.7	101.6	142.7	-77.1	-178.6	-179.8	176.5	0	104	E214 E218	E214-K216 PolarHBondContact O-N 3.45Å; E214-K216 VanDerWaalsContact O-N 3.16Å; K216-E218 PolarHBondContact O-N 3.11Å
217	K	55.1	Low	59.4	Low	181 Å²	181	133.4 Å²	133.4	79%	0.787	65%	0.652	S	S	*	*			trans	-58.9	100.9	167.8	-88.2	-178.5	176.5	174.4	0	103.5	V215 V219	V215-K217 HydrophobicContact CG1-CG 4.03Å; V215-K217 PolarHBondContact O-N 3.06Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 3.05Å
218	E	52.5	Low	60.8	Low	173 Å²	173	133.1 Å²	133.1	81%	0.808	65%	0.647	S	S	*	*			trans	-51.3	111.7	164.3	-67.9	-176.3	172.7	0	0	104.3	K216 N220	K216-E218 PolarHBondContact O-N 3.11Å; E218-N220 PolarHBondContact O-N 3.15Å
219	V	57.4	Low	62.3	Low	126 Å²	126	134.8 Å²	134.8	76%	0.764	66%	0.656	S	S	*	*			trans	-65.8	98.7	176.4	178.4	0	0	0	0	103.2	K217 E221	K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 3.05Å; V219-E221 PolarHBondContact O-N 3.16Å
220	N	62.1	Low	63.9	Low	139 Å²	139	133.8 Å²	133.8	74%	0.743	65%	0.651	S	S	*	*			trans	-50.6	111.4	170.4	-97.8	2.8	0	0	0	106.1	E218 L222	E218-N220 PolarHBondContact O-N 3.15Å; N220-L222 PolarHBondContact O-N 2.91Å
221	E	63.1	Low	65.6	Low	172 Å²	172	131.1 Å²	131.1	80%	0.804	64%	0.643	S	S	*	*			trans	-63.7	104.3	175	-67.1	-169.5	170.4	0	0	106.5	V219 S223	V219-E221 PolarHBondContact O-N 3.16Å; E221-S223 PolarHBondContact O-N 3.39Å
222	L	69.8	Low	67.3	Low	75 Å²	75	128.8 Å²	128.8	39%	0.393	64%	0.638	S	S	.	*			trans	-52.9	135.5	175	-77.2	132.2	0	0	0	108.4	N220 Q226 K227 I230	N220-L222 PolarHBondContact O-N 2.91Å; L222-Q226 HydrophobicContact CB-CB 4.11Å; L222-Q226 HydrophobicContact CD2-CB 3.74Å; L222-Q226 HydrophobicContact CD2-CG 4.5Å; L222-K227 HydrophobicContact CB-CG 3.99Å; L222-K227 WeakPolarHBondContact O-CE 3.19Å; L222-I230 HydrophobicContact CD1-CD1 3.88Å; L222-I230 HydrophobicContact CD2-CD1 3.65Å; L222-I230 HydrophobicContact CG-CD1 4.34Å
223	S	81.9	Confident	69.4	Low	62 Å²	62	123.5 Å²	123.5	43%	0.434	62%	0.619	S	S	.	*			trans	-52.1	148.4	172.5	174.5	0	0	0	0	109.8	E221 E225 Q226 K227	E221-S223 PolarHBondContact O-N 3.39Å; S223-E225 PolarHBondContact O-N 3.43Å; S223-E225 VanDerWaalsContact O-N 3.11Å; S223-Q226 CarbonylContact O-C 3.6Å; S223-Q226 WeakPolarHBondContact O-CA 3.32Å; S223-Q226 WeakPolarHBondContact O-CB 3.33Å; S223-Q226 PolarHBondContact O-N 3.12Å; S223-K227 PolarHBondContact O-N 3.06Å
224	E	77.6	Confident	71.2	Confident	152 Å²	152	124.8 Å²	124.8	71%	0.71	62%	0.619	S	S	*	*	H	α-helix	trans	-54.4	-33.2	-179.1	-71.1	-179.5	164.1	0	0	112.6	K227 Q228	E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 3.22Å; E224-Q228 WeakPolarHBondContact O-CG 3.43Å; E224-Q228 PolarHBondContact O-N 3.01Å
225	E	79.3	Confident	72.9	Confident	146 Å²	146	122.5 Å²	122.5	68%	0.682	61%	0.612	S	S	*	*	H	α-helix	trans	-67.1	-39.7	174.4	-61.3	178.6	174.3	0	0	112.2	S223 Q228 M229	S223-E225 PolarHBondContact O-N 3.43Å; S223-E225 VanDerWaalsContact O-N 3.11Å; E225-Q228 PolarHBondContact O-N 3.37Å; E225-M229 WeakPolarHBondContact O-CB 3.4Å; E225-M229 VanDerWaalsContact O-CG 3.26Å; E225-M229 WeakPolarHBondContact O-CG 3.46Å; E225-M229 PolarHBondContact O-N 2.77Å
226	Q	79.5	Confident	74.4	Confident	104 Å²	104	121 Å²	121	49%	0.486	60%	0.597	S	S	.	*	H	α-helix	trans	-70.4	-36.2	176	-66.5	174.9	-21.9	0	0	110.9	L222 S223 M229 I230	L222-Q226 HydrophobicContact CB-CB 4.11Å; L222-Q226 HydrophobicContact CD2-CB 3.74Å; L222-Q226 HydrophobicContact CD2-CG 4.5Å; S223-Q226 CarbonylContact O-C 3.6Å; S223-Q226 WeakPolarHBondContact O-CA 3.32Å; S223-Q226 WeakPolarHBondContact O-CB 3.33Å; S223-Q226 PolarHBondContact O-N 3.12Å; Q226-M229 PolarHBondContact O-N 3.01Å; Q226-I230 WeakPolarHBondContact O-CB 3.45Å; Q226-I230 WeakPolarHBondContact O-CD1 3.47Å; Q226-I230 WeakPolarHBondContact O-CG1 3.42Å; Q226-I230 PolarHBondContact O-N 3.24Å
227	K	81.1	Confident	75.9	Confident	94 Å²	94	116.2 Å²	116.2	41%	0.409	58%	0.577	S	S	.	*	H	α-helix	trans	-60.9	-46.6	171.9	-70.6	173.4	175.4	161.8	0	110.7	L222 S223 E224 M229 I230 I231	L222-K227 HydrophobicContact CB-CG 3.99Å; L222-K227 WeakPolarHBondContact O-CE 3.19Å; S223-K227 PolarHBondContact O-N 3.06Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 3.22Å; K227-M229 PolarHBondContact O-N 3.42Å; K227-I230 PolarHBondContact O-N 3.21Å; K227-I231 WeakPolarHBondContact O-CD1 3.39Å; K227-I231 WeakPolarHBondContact O-CG1 3.42Å; K227-I231 PolarHBondContact O-N 2.73Å
228	Q	80.3	Confident	77	Confident	127 Å²	127	113.6 Å²	113.6	59%	0.593	56%	0.562	S	S	*	*	H	α-helix	trans	-62.6	-42.9	176.3	-74	179.5	0.1	0	0	112.3	E224 E225 I230 I231 L232	E224-Q228 WeakPolarHBondContact O-CG 3.43Å; E224-Q228 PolarHBondContact O-N 3.01Å; E225-Q228 PolarHBondContact O-N 3.37Å; Q228-I230 VanDerWaalsContact C-N 3.3Å; Q228-I230 PolarHBondContact O-N 3.41Å; Q228-I231 PolarHBondContact O-N 3.21Å; Q228-L232 WeakPolarHBondContact O-CB 3.34Å; Q228-L232 WeakPolarHBondContact O-CD1 3.44Å; Q228-L232 WeakPolarHBondContact O-CG 3.18Å; Q228-L232 PolarHBondContact O-N 3.09Å
229	M	81.2	Confident	78.6	Confident	141 Å²	141	112 Å²	112	70%	0.695	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-35.6	176	-72.5	-71.7	-88.6	0	0	112.6	E225 Q226 K227 S233	E225-M229 WeakPolarHBondContact O-CB 3.4Å; E225-M229 VanDerWaalsContact O-CG 3.26Å; E225-M229 WeakPolarHBondContact O-CG 3.46Å; E225-M229 PolarHBondContact O-N 2.77Å; Q226-M229 PolarHBondContact O-N 3.01Å; K227-M229 PolarHBondContact O-N 3.42Å; M229-S233 PolarHBondContact O-N 3.35Å
230	I	82.6	Confident	80	Confident	65 Å²	65	109.1 Å²	109.1	33%	0.333	54%	0.536	S	S	.	.	H	α-helix	trans	-71.6	-41	174.4	-68.2	163	0	0	0	110.9	L222 Q226 K227 Q228 L232 S233 F236	L222-I230 HydrophobicContact CD1-CD1 3.88Å; L222-I230 HydrophobicContact CD2-CD1 3.65Å; L222-I230 HydrophobicContact CG-CD1 4.34Å; Q226-I230 WeakPolarHBondContact O-CB 3.45Å; Q226-I230 WeakPolarHBondContact O-CD1 3.47Å; Q226-I230 WeakPolarHBondContact O-CG1 3.42Å; Q226-I230 PolarHBondContact O-N 3.24Å; K227-I230 PolarHBondContact O-N 3.21Å; Q228-I230 VanDerWaalsContact C-N 3.3Å; Q228-I230 PolarHBondContact O-N 3.41Å; I230-L232 VanDerWaalsContact C-N 3.26Å; I230-L232 PolarHBondContact O-N 2.76Å; I230-S233 WeakPolarHBondContact O-CB 3.49Å; I230-S233 PolarHBondContact O-N 3.2Å; I230-F236 HydrophobicContact CG2-CB 4.28Å; I230-F236 HydrophobicContact CG2-CD2 3.91Å; I230-F236 HydrophobicContact CG2-CE2 4.4Å; I230-F236 HydrophobicContact CG2-CG 4Å; I230-F236 WeakPolarHBondContact O-CB 3.5Å
231	I	83.3	Confident	80.8	Confident	96 Å²	96	105.4 Å²	105.4	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-61.7	-36.7	177	-70.1	163	0	0	0	111.5	K227 Q228 S233 F236 Q237	K227-I231 WeakPolarHBondContact O-CD1 3.39Å; K227-I231 WeakPolarHBondContact O-CG1 3.42Å; K227-I231 PolarHBondContact O-N 2.73Å; Q228-I231 PolarHBondContact O-N 3.21Å; I231-S233 VanDerWaalsContact C-N 3.28Å; I231-F236 HydrophobicContact CG1-CE1 4.03Å; I231-Q237 WeakPolarHBondContact O-CG 3.3Å; I231-Q237 PolarHBondContact O-NE2 3.34Å
232	L	84.6	Confident	81.5	Confident	126 Å²	126	106.4 Å²	106.4	66%	0.66	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.6	175.7	-73.4	160.5	0	0	0	113.2	Q228 I230 E234	Q228-L232 WeakPolarHBondContact O-CB 3.34Å; Q228-L232 WeakPolarHBondContact O-CD1 3.44Å; Q228-L232 WeakPolarHBondContact O-CG 3.18Å; Q228-L232 PolarHBondContact O-N 3.09Å; I230-L232 VanDerWaalsContact C-N 3.26Å; I230-L232 PolarHBondContact O-N 2.76Å; L232-E234 PolarHBondContact O-N 3.2Å
233	S	90.5	Very high	82.2	Confident	50 Å²	50	104.3 Å²	104.3	35%	0.35	51%	0.508	S	S	.	.			trans	-65.7	129.6	177.9	-172	0	0	0	0	111	M229 I230 I231 N235 F236 Q237	M229-S233 PolarHBondContact O-N 3.35Å; I230-S233 WeakPolarHBondContact O-CB 3.49Å; I230-S233 PolarHBondContact O-N 3.2Å; I231-S233 VanDerWaalsContact C-N 3.28Å; S233-N235 PolarHBondContact O-N 3.08Å; S233-F236 PolarHBondContact O-N 2.99Å; S233-Q237 PolarHBondContact O-N 2.94Å
234	E	81.4	Confident	82.3	Confident	120 Å²	120	102.7 Å²	102.7	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-58	-35.4	179.3	-166.7	-176.1	175	0	0	112.2	L232 Q237 R238	L232-E234 PolarHBondContact O-N 3.2Å; E234-Q237 PolarHBondContact O-N 3.33Å; E234-R238 VanDerWaalsContact CD-NH2 3.32Å; E234-R238 VanDerWaalsContact O-CG 3.27Å; E234-R238 WeakPolarHBondContact O-CG 3.37Å; E234-R238 PolarHBondContact O-N 3.26Å; E234-R238 IonicContact OE1-CZ 2.7Å; E234-R238 IonicContact OE1-NE 3.75Å; E234-R238 IonicContact OE1-NH2 3.74Å; E234-R238 PolarHBondContact OE1-NH2 2.96Å; E234-R238 IonicContact OE2-NH2 2.8Å
235	N	83.9	Confident	82.1	Confident	115 Å²	115	97.6 Å²	97.6	62%	0.615	48%	0.475	S	S	*	.	H	α-helix	trans	-67.6	-38.7	177.9	-73.4	-13.7	0	0	0	112.1	S233 F239	S233-N235 PolarHBondContact O-N 3.08Å; N235-F239 WeakPolarHBondContact O-CB 3.29Å; N235-F239 PolarHBondContact O-N 2.87Å
236	F	85.3	Confident	82.1	Confident	80 Å²	80	95.3 Å²	95.3	35%	0.351	47%	0.471	S	S	.	.	H	α-helix	trans	-70.8	-41.5	177.6	-175.6	-100.8	0	0	0	110.9	I230 I231 S233 R238 F239 V240	I230-F236 HydrophobicContact CG2-CB 4.28Å; I230-F236 HydrophobicContact CG2-CD2 3.91Å; I230-F236 HydrophobicContact CG2-CE2 4.4Å; I230-F236 HydrophobicContact CG2-CG 4Å; I230-F236 WeakPolarHBondContact O-CB 3.5Å; I231-F236 HydrophobicContact CG1-CE1 4.03Å; S233-F236 PolarHBondContact O-N 2.99Å; F236-R238 PolarHBondContact O-N 3.4Å; F236-F239 PolarHBondContact O-N 3.13Å; F236-F239 VanDerWaalsContact O-N 3.16Å; F236-V240 HydrophobicContact CD1-CG2 3.86Å; F236-V240 HydrophobicContact CD2-CG2 4.41Å; F236-V240 HydrophobicContact CE1-CG2 3.47Å; F236-V240 VanDerWaalsContact CE1-CG2 3.47Å; F236-V240 HydrophobicContact CE2-CG2 4.05Å; F236-V240 HydrophobicContact CG-CG2 4.33Å; F236-V240 HydrophobicContact CZ-CG2 3.58Å; F236-V240 WeakPolarHBondContact O-CG2 3.35Å; F236-V240 PolarHBondContact O-N 2.77Å
237	Q	81.1	Confident	82.1	Confident	97 Å²	97	95 Å²	95	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-59.5	-44.6	173.9	-69.3	-177.9	-1.5	0	0	111.9	I231 S233 E234 F239 V240 V241	I231-Q237 WeakPolarHBondContact O-CG 3.3Å; I231-Q237 PolarHBondContact O-NE2 3.34Å; S233-Q237 PolarHBondContact O-N 2.94Å; E234-Q237 PolarHBondContact O-N 3.33Å; Q237-F239 VanDerWaalsContact C-N 3.31Å; Q237-F239 PolarHBondContact O-N 3.04Å; Q237-V240 PolarHBondContact O-N 2.97Å; Q237-V241 WeakPolarHBondContact O-CB 3.32Å; Q237-V241 VanDerWaalsContact O-CG2 3.23Å; Q237-V241 WeakPolarHBondContact O-CG2 3.44Å; Q237-V241 PolarHBondContact O-N 2.65Å
238	R	79.8	Confident	81.8	Confident	126 Å²	126	93.7 Å²	93.7	48%	0.475	47%	0.467	S	S	.	.	H	α-helix	trans	-59.9	-41.7	174.6	-72.6	173.8	-173.1	178.2	2.1	112.2	E234 F236 R242	E234-R238 VanDerWaalsContact CD-NH2 3.32Å; E234-R238 VanDerWaalsContact O-CG 3.27Å; E234-R238 WeakPolarHBondContact O-CG 3.37Å; E234-R238 PolarHBondContact O-N 3.26Å; E234-R238 IonicContact OE1-CZ 2.7Å; E234-R238 IonicContact OE1-NE 3.75Å; E234-R238 IonicContact OE1-NH2 3.74Å; E234-R238 PolarHBondContact OE1-NH2 2.96Å; E234-R238 IonicContact OE2-NH2 2.8Å; F236-R238 PolarHBondContact O-N 3.4Å; R238-R242 WeakPolarHBondContact O-CB 3.47Å; R238-R242 PolarHBondContact O-N 3.32Å
239	F	85.7	Confident	81.3	Confident	138 Å²	138	91.5 Å²	91.5	61%	0.605	45%	0.453	S	S	*	.	H	α-helix	trans	-65.5	-47.7	177.5	177	-98.4	0	0	0	111.9	N235 F236 Q237 R242 A243	N235-F239 WeakPolarHBondContact O-CB 3.29Å; N235-F239 PolarHBondContact O-N 2.87Å; F236-F239 PolarHBondContact O-N 3.13Å; F236-F239 VanDerWaalsContact O-N 3.16Å; Q237-F239 VanDerWaalsContact C-N 3.31Å; Q237-F239 PolarHBondContact O-N 3.04Å; F239-R242 PolarHBondContact O-N 3.32Å; F239-A243 HydrophobicContact CE1-CB 4.47Å; F239-A243 WeakPolarHBondContact O-CB 3.14Å; F239-A243 PolarHBondContact O-N 3.04Å
240	V	85.8	Confident	80.7	Confident	67 Å²	67	87.8 Å²	87.8	41%	0.406	45%	0.445	S	S	.	.	H	α-helix	trans	-64.5	-40.7	179.6	172.5	0	0	0	0	111.2	F236 Q237 A243 G244	F236-V240 HydrophobicContact CD1-CG2 3.86Å; F236-V240 HydrophobicContact CD2-CG2 4.41Å; F236-V240 HydrophobicContact CE1-CG2 3.47Å; F236-V240 VanDerWaalsContact CE1-CG2 3.47Å; F236-V240 HydrophobicContact CE2-CG2 4.05Å; F236-V240 HydrophobicContact CG-CG2 4.33Å; F236-V240 HydrophobicContact CZ-CG2 3.58Å; F236-V240 WeakPolarHBondContact O-CG2 3.35Å; F236-V240 PolarHBondContact O-N 2.77Å; Q237-V240 PolarHBondContact O-N 2.97Å; V240-A243 PolarHBondContact O-N 3.21Å; V240-G244 WeakPolarHBondContact O-CA 3.13Å; V240-G244 PolarHBondContact O-N 2.81Å
241	V	78.5	Confident	80.1	Confident	60 Å²	60	90.4 Å²	90.4	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-46.1	174.6	169.9	0	0	0	0	110.5	Q237 G244 R245	Q237-V241 WeakPolarHBondContact O-CB 3.32Å; Q237-V241 VanDerWaalsContact O-CG2 3.23Å; Q237-V241 WeakPolarHBondContact O-CG2 3.44Å; Q237-V241 PolarHBondContact O-N 2.65Å; V241-G244 PolarHBondContact O-N 3.23Å; V241-R245 VanDerWaalsContact O-CG 3.27Å; V241-R245 WeakPolarHBondContact O-CG 3.42Å; V241-R245 PolarHBondContact O-N 2.96Å
242	R	79.3	Confident	79.1	Confident	193 Å²	193	86.8 Å²	86.8	73%	0.728	44%	0.442	S	S	*	.	H	α-helix	trans	-64.1	-45.8	178.1	-175.6	176.4	-178.5	163.1	1.2	112.5	R238 F239 R245 V246	R238-R242 WeakPolarHBondContact O-CB 3.47Å; R238-R242 PolarHBondContact O-N 3.32Å; F239-R242 PolarHBondContact O-N 3.32Å; R242-R245 PolarHBondContact O-N 3.4Å; R242-V246 WeakPolarHBondContact O-CG2 3.44Å; R242-V246 PolarHBondContact O-N 3.22Å
243	A	84.4	Confident	78.1	Confident	32 Å²	32	86 Å²	86	26%	0.264	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-43	178.6	0	0	0	0	0	111.2	F239 V240 R245 V246 I247	F239-A243 HydrophobicContact CE1-CB 4.47Å; F239-A243 WeakPolarHBondContact O-CB 3.14Å; F239-A243 PolarHBondContact O-N 3.04Å; V240-A243 PolarHBondContact O-N 3.21Å; A243-R245 PolarHBondContact O-N 3.49Å; A243-V246 PolarHBondContact O-N 3.25Å; A243-I247 VanDerWaalsContact O-CG1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.36Å; A243-I247 PolarHBondContact O-N 3.19Å
244	G	82.4	Confident	76.5	Confident	27 Å²	27	89.4 Å²	89.4	28%	0.278	45%	0.449	S	S	.	.	H	α-helix	trans	-56.6	-46.5	174.5	0	0	0	0	0	111.9	V240 V241 V246 I247 E248	V240-G244 WeakPolarHBondContact O-CA 3.13Å; V240-G244 PolarHBondContact O-N 2.81Å; V241-G244 PolarHBondContact O-N 3.23Å; G244-V246 PolarHBondContact O-N 3.46Å; G244-I247 PolarHBondContact O-N 3.14Å; G244-E248 WeakPolarHBondContact O-CB 3.36Å; G244-E248 WeakPolarHBondContact O-CG 3.45Å; G244-E248 PolarHBondContact O-N 3.47Å
245	R	74.8	Confident	75.5	Confident	46 Å²	46	89.2 Å²	89.2	17%	0.174	46%	0.456	C	S	.	.	H	α-helix	trans	-58.3	-43.7	175.6	-74.7	175.9	-174.5	-163.4	3	112.9	V241 R242 A243 E248 R249 F334 E340 D341	V241-R245 VanDerWaalsContact O-CG 3.27Å; V241-R245 WeakPolarHBondContact O-CG 3.42Å; V241-R245 PolarHBondContact O-N 2.96Å; R242-R245 PolarHBondContact O-N 3.4Å; A243-R245 PolarHBondContact O-N 3.49Å; R245-E248 PolarHBondContact O-N 2.95Å; R245-R249 WeakPolarHBondContact O-CB 3.49Å; R245-R249 PolarHBondContact O-N 3.48Å; R245-F334 HydrophobicContact CB-CZ 4.31Å; R245-F334 WeakPolarHBondContact O-CE1 2.79Å; R245-E340 IonicContact CZ-OE1 2.71Å; R245-E340 IonicContact NH1-OE1 2.67Å; R245-E340 PolarHBondContact NH1-OE1 2.97Å; R245-E340 PolarHBondContact NH2-O 2.67Å; R245-D341 IonicContact CZ-OD1 3.44Å; R245-D341 IonicContact CZ-OD2 3.18Å; R245-D341 IonicContact NH1-OD1 2.91Å; R245-D341 PolarHBondContact NH1-OD1 3.15Å; R245-D341 IonicContact NH1-OD2 3.67Å; R245-D341 PolarHBondContact NH1-OD2 3.42Å; R245-D341 VanDerWaalsContact NH1-OD2 3.08Å; R245-D341 IonicContact NH2-OD1 3.33Å; R245-D341 PolarHBondContact NH2-OD1 2.8Å; R245-D341 IonicContact NH2-OD2 3Å
246	V	79.1	Confident	74.5	Confident	97 Å²	97	88.2 Å²	88.2	59%	0.588	45%	0.451	S	S	*	.	H	α-helix	trans	-66.1	-42.2	178.5	175.8	0	0	0	0	111	R242 A243 G244 R249 A250	R242-V246 WeakPolarHBondContact O-CG2 3.44Å; R242-V246 PolarHBondContact O-N 3.22Å; A243-V246 PolarHBondContact O-N 3.25Å; G244-V246 PolarHBondContact O-N 3.46Å; V246-R249 PolarHBondContact O-N 2.76Å; V246-A250 PolarHBondContact O-N 3.27Å
247	I	80.1	Confident	73.7	Confident	99 Å²	99	91.6 Å²	91.6	51%	0.508	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-44.7	177.8	-67.5	166.1	0	0	0	110.6	A243 G244 R249 A250 L251	A243-I247 VanDerWaalsContact O-CG1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.36Å; A243-I247 PolarHBondContact O-N 3.19Å; G244-I247 PolarHBondContact O-N 3.14Å; I247-R249 PolarHBondContact O-N 3.48Å; I247-A250 PolarHBondContact O-N 3.04Å; I247-A250 VanDerWaalsContact O-N 3.13Å; I247-L251 HydrophobicContact CG2-CD1 3.77Å; I247-L251 HydrophobicContact CG2-CG 4.22Å; I247-L251 WeakPolarHBondContact O-CB 3.33Å; I247-L251 VanDerWaalsContact O-CG 3.3Å; I247-L251 WeakPolarHBondContact O-CG 3.27Å; I247-L251 PolarHBondContact O-N 2.87Å
248	E	73	Confident	73.2	Confident	66 Å²	66	96.6 Å²	96.6	31%	0.308	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-31.1	177.6	-74.4	-173.6	149.1	0	0	112.3	G244 R245 S252 F334 K336	G244-E248 WeakPolarHBondContact O-CB 3.36Å; G244-E248 WeakPolarHBondContact O-CG 3.45Å; G244-E248 PolarHBondContact O-N 3.47Å; R245-E248 PolarHBondContact O-N 2.95Å; E248-S252 PolarHBondContact O-N 3.35Å; E248-F334 HydrophobicContact CB-CD1 3.7Å; E248-F334 HydrophobicContact CB-CE1 3.46Å; E248-F334 VanDerWaalsContact CB-CE1 3.46Å; E248-K336 IonicContact OE1-NZ 3.1Å; E248-K336 PolarHBondContact OE1-NZ 2.81Å
249	R	70.2	Confident	72.7	Confident	80 Å²	80	93.9 Å²	93.9	30%	0.302	48%	0.484	S	S	.	.	H	α-helix	trans	-71.5	-37.3	174.4	-176.3	-174.6	178.4	115.6	-1.5	111.5	R245 V246 I247 S252 E307 K333 F334	R245-R249 WeakPolarHBondContact O-CB 3.49Å; R245-R249 PolarHBondContact O-N 3.48Å; V246-R249 PolarHBondContact O-N 2.76Å; I247-R249 PolarHBondContact O-N 3.48Å; R249-S252 PolarHBondContact O-OG 2.82Å; R249-E307 IonicContact CZ-OE1 2.81Å; R249-E307 IonicContact NH1-OE1 3.22Å; R249-E307 PolarHBondContact NH1-OE1 3Å; R249-E307 VanDerWaalsContact NH2-CD 3.32Å; R249-E307 IonicContact NH2-OE1 3.06Å; R249-E307 PolarHBondContact NH2-OE1 3.08Å; R249-E307 IonicContact NH2-OE2 2.76Å; R249-K333 HydrophobicContact CG-CB 4.37Å; R249-K333 HydrophobicContact CG-CD 4.06Å; R249-F334 HydrophobicContact CB-CE1 4.07Å
250	A	69.9	Low	72	Confident	64 Å²	64	94 Å²	94	53%	0.529	49%	0.492	S	S	.	.	H	α-helix	trans	-71.1	-38.1	175.7	0	0	0	0	0	111.6	V246 I247 S252 E253	V246-A250 PolarHBondContact O-N 3.27Å; I247-A250 PolarHBondContact O-N 3.04Å; I247-A250 VanDerWaalsContact O-N 3.13Å; A250-S252 PolarHBondContact O-N 2.83Å; A250-E253 PolarHBondContact O-N 3.41Å
251	L	69.8	Low	70.9	Confident	119 Å²	119	100.9 Å²	100.9	62%	0.623	51%	0.512	S	S	*	.	H	α-helix	trans	-67.3	-19.3	180	-75.8	169.8	0	0	0	113.9	I247	I247-L251 HydrophobicContact CG2-CD1 3.77Å; I247-L251 HydrophobicContact CG2-CG 4.22Å; I247-L251 WeakPolarHBondContact O-CB 3.33Å; I247-L251 VanDerWaalsContact O-CG 3.3Å; I247-L251 WeakPolarHBondContact O-CG 3.27Å; I247-L251 PolarHBondContact O-N 2.87Å
252	S	61.9	Low	70.4	Confident	20 Å²	20	106.1 Å²	106.1	14%	0.14	54%	0.536	C	S	.	.	H	α-helix	trans	-87	-17.9	179.4	64.1	0	0	0	0	114	E248 R249 A250 N254 K333	E248-S252 PolarHBondContact O-N 3.35Å; R249-S252 PolarHBondContact O-OG 2.82Å; A250-S252 PolarHBondContact O-N 2.83Å; S252-N254 PolarHBondContact O-N 3.16Å; S252-N254 PolarHBondContact O-ND2 3.05Å; S252-K333 WeakPolarHBondContact CB-O 3.33Å; S252-K333 PolarHBondContact OG-O 2.78Å
253	E	62.6	Low	69.3	Low	111 Å²	111	100.5 Å²	100.5	52%	0.519	54%	0.538	S	S	.	.			trans	-75.5	79	168.5	-70.2	179.1	-177.6	0	0	108.4	A250 V255 K333	A250-E253 PolarHBondContact O-N 3.41Å; E253-V255 PolarHBondContact O-N 2.78Å; E253-K333 IonicContact OE1-NZ 3.59Å; E253-K333 PolarHBondContact OE1-NZ 3.21Å
254	N	57.2	Low	67.7	Low	121 Å²	121	101 Å²	101	65%	0.647	55%	0.546	S	S	*	.			trans	-80.1	68.4	169.8	-64.9	-76.5	0	0	0	108.7	S252 D256	S252-N254 PolarHBondContact O-N 3.16Å; S252-N254 PolarHBondContact O-ND2 3.05Å; N254-D256 PolarHBondContact O-N 3.44Å
255	V	60.9	Low	66.2	Low	115 Å²	115	103.2 Å²	103.2	70%	0.697	57%	0.569	S	S	*	*			trans	-82.1	103.7	163.4	179.5	0	0	0	0	105.9	E253 I257	E253-V255 PolarHBondContact O-N 2.78Å; V255-I257 HydrophobicContact CG1-CG1 4.48Å; V255-I257 PolarHBondContact O-N 2.99Å
256	D	62	Low	65.1	Low	94 Å²	94	108.9 Å²	108.9	50%	0.503	60%	0.603	S	S	.	*			trans	-76.6	94.2	176.5	-165.9	-3.7	0	0	0	109.3	N254 Y258 T259	N254-D256 PolarHBondContact O-N 3.44Å; D256-Y258 PolarHBondContact O-N 3.49Å; D256-Y258 VanDerWaalsContact O-N 3.15Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.43Å; D256-Y258 WeakPolarHBondContact OD1-CD2 3.36Å; D256-Y258 PolarHBondContact OD1-N 2.97Å; D256-T259 WeakPolarHBondContact O-CB 3.5Å; D256-T259 PolarHBondContact O-N 3.44Å; D256-T259 VanDerWaalsContact O-N 3.11Å; D256-T259 PolarHBondContact O-OG1 2.99Å
257	I	70.1	Confident	63.8	Low	151 Å²	151	108.1 Å²	108.1	77%	0.774	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-15	176.9	-52.9	173.7	0	0	0	110.8	V255 T259	V255-I257 HydrophobicContact CG1-CG1 4.48Å; V255-I257 PolarHBondContact O-N 2.99Å; I257-T259 VanDerWaalsContact C-N 3.32Å
258	Y	69.3	Low	62.6	Low	202 Å²	202	110.7 Å²	110.7	79%	0.792	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	5.7	176.8	-56.3	-78.4	0	0	0	113.7	D256 D260	D256-Y258 PolarHBondContact O-N 3.49Å; D256-Y258 VanDerWaalsContact O-N 3.15Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.43Å; D256-Y258 WeakPolarHBondContact OD1-CD2 3.36Å; D256-Y258 PolarHBondContact OD1-N 2.97Å; Y258-D260 PolarHBondContact O-N 3.15Å; Y258-D260 VanDerWaalsContact O-N 3.13Å
259	T	69.3	Low	61.4	Low	69 Å²	69	116 Å²	116	42%	0.423	64%	0.637	S	S	.	*			trans	-74.6	103.4	172.2	-47.9	0	0	0	0	109.2	D256 I257 Y261	D256-T259 WeakPolarHBondContact O-CB 3.5Å; D256-T259 PolarHBondContact O-N 3.44Å; D256-T259 VanDerWaalsContact O-N 3.11Å; D256-T259 PolarHBondContact O-OG1 2.99Å; I257-T259 VanDerWaalsContact C-N 3.32Å; T259-Y261 HydrophobicContact CG2-CE2 4.36Å; T259-Y261 WeakPolarHBondContact O-CD2 3.4Å; T259-Y261 PolarHBondContact O-N 2.86Å; T259-Y261 VanDerWaalsContact O-N 3.13Å
260	D	70.8	Confident	60.2	Low	142 Å²	142	115.9 Å²	115.9	76%	0.759	65%	0.652	S	S	*	*			trans	-70.8	103	174	-79.7	-21.3	0	0	0	110.5	Y258 I262	Y258-D260 PolarHBondContact O-N 3.15Å; Y258-D260 VanDerWaalsContact O-N 3.13Å; D260-I262 PolarHBondContact O-N 2.57Å; D260-I262 VanDerWaalsContact O-N 3.1Å
261	Y	63.5	Low	59.1	Low	210 Å²	210	117.8 Å²	117.8	82%	0.824	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	7.1	175.4	-73.7	-88.8	0	0	0	114.3	T259	T259-Y261 HydrophobicContact CG2-CE2 4.36Å; T259-Y261 WeakPolarHBondContact O-CD2 3.4Å; T259-Y261 PolarHBondContact O-N 2.86Å; T259-Y261 VanDerWaalsContact O-N 3.13Å
262	I	67.5	Low	58.2	Low	171 Å²	171	116.9 Å²	116.9	88%	0.877	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-8.2	-173.7	-62.3	-179	0	0	0	112.7	D260	D260-I262 PolarHBondContact O-N 2.57Å; D260-I262 VanDerWaalsContact O-N 3.1Å
263	G	56.2	Low	57.5	Low	75 Å²	75	123.9 Å²	123.9	77%	0.773	68%	0.68	S	S	*	*	S	Bend	trans	-123.8	2.8	-173.3	0	0	0	0	0	117.7
264	G	51.9	Low	56.6	Low	42 Å²	42	128 Å²	128	43%	0.433	69%	0.691	S	S	.	*			trans	-108.8	32.2	-165.9	0	0	0	0	0	116.8	D266	G264-D266 VanDerWaalsContact C-N 3.29Å; G264-D266 PolarHBondContact O-N 3.47Å
265	G	51.3	Low	56.1	Low	73 Å²	73	125.1 Å²	125.1	75%	0.753	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-14.1	-173.5	0	0	0	0	0	116.9
266	D	50.5	Low	55.3	Low	165 Å²	165	126.9 Å²	126.9	88%	0.882	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	9.2	-171.9	-79.2	-10.9	0	0	0	114.5	G264	G264-D266 VanDerWaalsContact C-N 3.29Å; G264-D266 PolarHBondContact O-N 3.47Å
267	S	51.7	Low	54.7	Low	81 Å²	81	125.3 Å²	125.3	57%	0.566	68%	0.68	S	S	*	*	S	Bend	trans	-112.4	-4.1	-179.2	43	0	0	0	0	115.3
268	E	54.2	Low	54.2	Low	154 Å²	154	122.4 Å²	122.4	72%	0.72	66%	0.66	S	S	*	*	S	Bend	trans	-79.8	-31.8	177.5	-65.9	-149.6	148.2	0	0	113	A270 N271 D272	E268-A270 PolarHBondContact O-N 3.39Å; E268-N271 PolarHBondContact O-N 3.21Å; E268-N271 VanDerWaalsContact O-N 3.09Å; E268-D272 PolarHBondContact O-N 2.89Å
269	E	49.2	Very low	54.4	Low	178 Å²	178	113.2 Å²	113.2	83%	0.832	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-25.3	177.6	-70.8	-172	159.5	0	0	113.2
270	A	45.6	Very low	54.8	Low	76 Å²	76	112.8 Å²	112.8	63%	0.628	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-15.9	177	0	0	0	0	0	113.6	E268	E268-A270 PolarHBondContact O-N 3.39Å
271	N	46.3	Very low	55.3	Low	105 Å²	105	110.3 Å²	110.3	56%	0.561	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-16.7	176.7	-143	17.7	0	0	0	111.9	E268 R274 S275	E268-N271 PolarHBondContact O-N 3.21Å; E268-N271 VanDerWaalsContact O-N 3.09Å; N271-R274 PolarHBondContact O-N 3.43Å; N271-S275 PolarHBondContact O-N 3.31Å; N271-S275 VanDerWaalsContact O-N 3.08Å
272	D	49.5	Very low	56	Low	99 Å²	99	103.4 Å²	103.4	53%	0.529	59%	0.587	S	S	.	*	H	α-helix	trans	-71.8	-25.9	175.4	-87.9	-23.5	0	0	0	114.2	E268 R274 S275 H276	E268-D272 PolarHBondContact O-N 2.89Å; D272-R274 PolarHBondContact O-N 3.08Å; D272-S275 VanDerWaalsContact CA-OG 3.26Å; D272-S275 WeakPolarHBondContact CA-OG 3.23Å; D272-S275 PolarHBondContact O-N 3.24Å; D272-S275 PolarHBondContact O-OG 2.9Å; D272-S275 PolarHBondContact OD1-OG 3.47Å; D272-H276 PolarHBondContact O-CD2 3.41Å
273	E	47.9	Very low	56.4	Low	167 Å²	167	99.3 Å²	99.3	78%	0.78	56%	0.561	S	S	*	*	H	α-helix	trans	-70.6	-21.7	170.5	-91.5	-174.5	155.6	0	0	112.8
274	R	44.6	Very low	57.6	Low	198 Å²	198	98.3 Å²	98.3	75%	0.747	54%	0.54	S	S	*	.	H	α-helix	trans	-88.6	-20.8	170.9	-72.3	-176.4	178.9	177	2.1	113	N271 D272 H276 A277	N271-R274 PolarHBondContact O-N 3.43Å; D272-R274 PolarHBondContact O-N 3.08Å; R274-H276 PolarHBondContact O-N 2.72Å; R274-A277 VanDerWaalsContact O-CB 3.32Å; R274-A277 WeakPolarHBondContact O-CB 3.26Å; R274-A277 PolarHBondContact O-N 3.12Å
275	S	46.7	Very low	59	Low	61 Å²	61	96.6 Å²	96.6	43%	0.427	52%	0.52	S	S	.	.	H	α-helix	trans	-71.4	-10.5	173.7	74.1	0	0	0	0	112.8	N271 D272 A277	N271-S275 PolarHBondContact O-N 3.31Å; N271-S275 VanDerWaalsContact O-N 3.08Å; D272-S275 VanDerWaalsContact CA-OG 3.26Å; D272-S275 WeakPolarHBondContact CA-OG 3.23Å; D272-S275 PolarHBondContact O-N 3.24Å; D272-S275 PolarHBondContact O-OG 2.9Å; D272-S275 PolarHBondContact OD1-OG 3.47Å; S275-A277 VanDerWaalsContact C-N 3.26Å; S275-A277 PolarHBondContact O-N 3.44Å
276	H	42.4	Very low	60.3	Low	152 Å²	152	96.4 Å²	96.4	70%	0.704	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.9	163.7	-75.7	-69.3	0	0	0	114.5	D272 R274 R278	D272-H276 PolarHBondContact O-CD2 3.41Å; R274-H276 PolarHBondContact O-N 2.72Å; H276-R278 PolarHBondContact O-N 3.47Å
277	A	49.5	Very low	61.5	Low	60 Å²	60	90.1 Å²	90.1	50%	0.496	46%	0.464	S	S	.	.			trans	-71.8	86.6	160.5	0	0	0	0	0	107.6	R274 S275 L279	R274-A277 VanDerWaalsContact O-CB 3.32Å; R274-A277 WeakPolarHBondContact O-CB 3.26Å; R274-A277 PolarHBondContact O-N 3.12Å; S275-A277 VanDerWaalsContact C-N 3.26Å; S275-A277 PolarHBondContact O-N 3.44Å; A277-L279 PolarHBondContact O-N 3.33Å
278	R	60.8	Low	62.4	Low	91 Å²	91	93.6 Å²	93.6	34%	0.343	47%	0.471	S	S	.	.	S	Bend	trans	-55.2	-14.5	-176.1	-55.2	177.8	94.8	133.6	-4.4	113.4	H276 T576 A577 A614	H276-R278 PolarHBondContact O-N 3.47Å; R278-T576 VanDerWaalsContact CD-O 3.31Å; R278-T576 WeakPolarHBondContact CD-O 3.39Å; R278-A577 HydrophobicContact CB-CB 3.81Å; R278-A614 PolarHBondContact O-N 2.86Å; R278-A614 VanDerWaalsContact O-N 3.14Å
279	L	72.2	Confident	63.2	Low	9 Å²	9	94.2 Å²	94.2	5%	0.047	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.8	177.5	-75.6	169.5	0	0	0	108.9	A277 L563 L565 A577 I579 D612 V613	A277-L279 PolarHBondContact O-N 3.33Å; L279-L563 HydrophobicContact CD1-CD2 4.12Å; L279-L565 HydrophobicContact CD1-CD1 3.8Å; L279-L565 HydrophobicContact CD1-CG 3.93Å; L279-L565 HydrophobicContact CD2-CD1 3.38Å; L279-L565 HydrophobicContact CD2-CG 4.18Å; L279-L565 HydrophobicContact CG-CD1 3.65Å; L279-L565 HydrophobicContact CG-CG 4.33Å; L279-A577 HydrophobicContact CD1-CB 3.87Å; L279-A577 HydrophobicContact CG-CB 4.23Å; L279-I579 HydrophobicContact CB-CD1 3.2Å; L279-I579 HydrophobicContact CB-CG1 4.03Å; L279-I579 HydrophobicContact CD1-CD1 3.86Å; L279-I579 HydrophobicContact CD1-CG1 3.88Å; L279-I579 HydrophobicContact CG-CD1 4.19Å; L279-D612 CarbonylContact C-O 3.59Å; L279-D612 VanDerWaalsContact CA-O 3.3Å; L279-D612 WeakPolarHBondContact CA-O 3.27Å; L279-V613 HydrophobicContact CD2-CB 4.32Å; L279-V613 HydrophobicContact CD2-CG1 4.44Å; L279-V613 HydrophobicContact CD2-CG2 3.73Å
280	S	77.8	Confident	64.2	Low	59 Å²	59	86.8 Å²	86.8	41%	0.413	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.9	173.3	72.3	0	0	0	0	110.6	N282 Y611 D612	S280-N282 PolarHBondContact O-N 3.38Å; S280-N282 VanDerWaalsContact O-N 3.14Å; S280-Y611 CarbonylContact O-C 3.54Å; S280-Y611 WeakPolarHBondContact O-CA 3.21Å; S280-D612 PolarHBondContact N-O 3.2Å; S280-D612 PolarHBondContact O-N 3.34Å; S280-D612 WeakPolarHBondContact OG-CB 3.34Å
281	L	81.4	Confident	65.3	Low	91 Å²	91	83.1 Å²	83.1	48%	0.476	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111.5	175	178.3	67.6	0	0	0	108.1	V284 Y609 Y611	L281-V284 HydrophobicContact CD1-CG2 4.27Å; L281-V284 HydrophobicContact CD2-CG2 4.12Å; L281-Y609 HydrophobicContact CD1-CD1 4.06Å; L281-Y611 HydrophobicContact CB-CD1 4.2Å; L281-Y611 HydrophobicContact CB-CE1 3.85Å; L281-Y611 HydrophobicContact CD1-CD1 4.15Å; L281-Y611 HydrophobicContact CD1-CE1 3.68Å; L281-Y611 HydrophobicContact CD1-CE2 4.29Å; L281-Y611 HydrophobicContact CG-CE1 4.36Å
282	N	78.6	Confident	66.7	Low	65 Å²	65	82.7 Å²	82.7	35%	0.348	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-59.2	174.7	-160.1	-56.7	0	0	0	108.7	S280 V610 D612	S280-N282 PolarHBondContact O-N 3.38Å; S280-N282 VanDerWaalsContact O-N 3.14Å; N282-V610 WeakPolarHBondContact CA-O 3.03Å; N282-V610 HydrophobicContact CB-CB 4.46Å; N282-V610 HydrophobicContact CB-CG1 4.42Å; N282-V610 WeakPolarHBondContact CB-O 3.44Å; N282-V610 PolarHBondContact N-O 2.8Å; N282-D612 HydrophobicContact CB-CB 4.47Å
283	R	75.4	Confident	67.9	Low	84 Å²	84	82 Å²	82	32%	0.317	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.9	-173.1	-63.3	-176.6	-165.2	162.9	12.3	114.3	T332 F334 V610	R283-T332 PolarHBondContact NH1-O 3.47Å; R283-F334 PolarHBondContact NH1-O 2.99Å; R283-V610 PolarHBondContact N-O 3.24Å; R283-V610 PolarHBondContact O-N 3.39Å
284	V	82.8	Confident	69.4	Low	55 Å²	55	74.2 Å²	74.2	33%	0.333	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.3	168.8	-170.8	0	0	0	0	108.2	L281 K607 L608 Y609	L281-V284 HydrophobicContact CD1-CG2 4.27Å; L281-V284 HydrophobicContact CD2-CG2 4.12Å; V284-K607 HydrophobicContact CG1-CB 3.99Å; V284-K607 HydrophobicContact CG1-CD 4.32Å; V284-K607 HydrophobicContact CG1-CG 4.27Å; V284-L608 CarbonylContact C-O 3.56Å; V284-L608 WeakPolarHBondContact CA-O 3.25Å; V284-Y609 HydrophobicContact CB-CD1 4.26Å; V284-Y609 HydrophobicContact CB-CE1 4.27Å; V284-Y609 HydrophobicContact CG1-CD1 3.98Å; V284-Y609 HydrophobicContact CG1-CE1 3.7Å; V284-Y609 HydrophobicContact CG2-CD1 3.49Å; V284-Y609 VanDerWaalsContact CG2-CD1 3.49Å; V284-Y609 HydrophobicContact CG2-CE1 3.56Å
285	F	80.7	Confident	71.3	Confident	5 Å²	5	66.2 Å²	66.2	2%	0.022	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.1	168.4	-57.3	-72.6	0	0	0	109.4	W330 T332 K607 L608 V610	F285-W330 HydrophobicContact CB-CD2 3.79Å; F285-W330 HydrophobicContact CB-CE3 3.67Å; F285-W330 HydrophobicContact CB-CG 4.4Å; F285-W330 HydrophobicContact CB-CH2 4.15Å; F285-W330 HydrophobicContact CB-CZ2 4.27Å; F285-W330 HydrophobicContact CB-CZ3 3.86Å; F285-W330 HydrophobicContact CD1-CB 4.45Å; F285-W330 HydrophobicContact CD1-CD2 4.25Å; F285-W330 AromaticContact CD1-CE3 3.69Å; F285-W330 HydrophobicContact CD1-CE3 3.69Å; F285-W330 HydrophobicContact CD1-CZ3 4.28Å; F285-W330 HydrophobicContact CD2-CB 4.31Å; F285-W330 HydrophobicContact CD2-CG 4.4Å; F285-W330 HydrophobicContact CE1-CB 4.47Å; F285-W330 HydrophobicContact CE2-CB 4.27Å; F285-W330 HydrophobicContact CG-CB 4.35Å; F285-W330 AromaticContact CG-CD2 3.99Å; F285-W330 HydrophobicContact CG-CD2 3.99Å; F285-W330 AromaticContact CG-CE3 3.83Å; F285-W330 HydrophobicContact CG-CE3 3.83Å; F285-W330 HydrophobicContact CG-CG 4.24Å; F285-W330 HydrophobicContact CG-CZ3 4.41Å; F285-W330 HydrophobicContact CZ-CB 4.37Å; F285-T332 HydrophobicContact CZ-CG2 4.33Å; F285-K607 WeakPolarHBondContact O-CA 3.38Å; F285-L608 HydrophobicContact CB-CB 4.17Å; F285-L608 HydrophobicContact CD2-CB 4.18Å; F285-L608 HydrophobicContact CD2-CD2 3.59Å; F285-L608 HydrophobicContact CD2-CG 4.41Å; F285-L608 HydrophobicContact CE2-CD2 4.01Å; F285-L608 PolarHBondContact N-O 2.91Å; F285-L608 PolarHBondContact O-N 3.31Å; F285-V610 HydrophobicContact CD2-CG2 3.94Å; F285-V610 HydrophobicContact CE2-CG2 3.29Å; F285-V610 HydrophobicContact CZ-CG2 4.12Å
286	Y	78.1	Confident	73.2	Confident	70 Å²	70	63.3 Å²	63.3	28%	0.275	31%	0.308	S	S	.	.			trans	-154.5	124.7	176.6	-177.3	-102.8	0	0	0	108.4	E288 S291 K292 S337 K607	Y286-E288 HydrophobicContact CE1-CB 4.42Å; Y286-S291 WeakPolarHBondContact CD2-OG 3.48Å; Y286-S291 VanDerWaalsContact CE2-OG 3.25Å; Y286-S291 WeakPolarHBondContact CE2-OG 3.3Å; Y286-K292 WeakPolarHBondContact OH-CB 3.36Å; Y286-S337 WeakPolarHBondContact O-CB 3.44Å; Y286-S337 PolarHBondContact O-OG 3Å; Y286-S337 VanDerWaalsContact O-OG 3.12Å; Y286-K607 HydrophobicContact CD2-CD 4.43Å; Y286-K607 HydrophobicContact CD2-CG 3.49Å; Y286-K607 VanDerWaalsContact CD2-CG 3.49Å; Y286-K607 HydrophobicContact CE2-CG 4.24Å; Y286-K607 HydrophobicContact CG-CG 4.12Å
287	D	75.6	Confident	75.2	Confident	33 Å²	33	57 Å²	57	18%	0.176	28%	0.28	C	S	.	.			trans	-112.8	121.5	170.2	-173.1	-4.9	0	0	0	109.6	R289 W290 S291 W330 P339	D287-R289 PolarHBondContact O-N 2.88Å; D287-R289 PolarHBondContact OD1-N 2.8Å; D287-W290 PolarHBondContact O-N 2.85Å; D287-S291 VanDerWaalsContact C-OG 3.28Å; D287-S291 PolarHBondContact N-OG 2.93Å; D287-S291 WeakPolarHBondContact O-CA 3.45Å; D287-S291 WeakPolarHBondContact O-CB 3.26Å; D287-S291 PolarHBondContact O-N 3.14Å; D287-S291 PolarHBondContact O-OG 2.93Å; D287-W330 HydrophobicContact CB-CH2 4.04Å; D287-P339 WeakPolarHBondContact OD2-CD 3.31Å
288	E	71.1	Confident	76.9	Confident	153 Å²	153	54.4 Å²	54.4	72%	0.715	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.3	-176.1	-172.9	173.5	-173.9	0	0	112.6	Y286	Y286-E288 HydrophobicContact CE1-CB 4.42Å
289	R	72.1	Confident	78.2	Confident	167 Å²	167	51 Å²	51	63%	0.63	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-44	-179.2	-175.7	173.1	-179.7	170.3	2.7	112.9	D287	D287-R289 PolarHBondContact O-N 2.88Å; D287-R289 PolarHBondContact OD1-N 2.8Å
290	W	70.3	Confident	79	Confident	22 Å²	22	52.6 Å²	52.6	8%	0.083	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-21.6	-167	-63.2	109	0	0	0	114.3	D287 R294 P323 V326 M328 V342 H344	D287-W290 PolarHBondContact O-N 2.85Å; W290-R294 WeakPolarHBondContact O-CD 3.49Å; W290-R294 PolarHBondContact O-NH1 2.77Å; W290-P323 HydrophobicContact CZ3-CG 4.25Å; W290-V326 HydrophobicContact CE3-CG2 4.17Å; W290-V326 HydrophobicContact CZ3-CG2 4.33Å; W290-M328 VanDerWaalsContact C-CE 3.48Å; W290-M328 HydrophobicContact CB-CE 3.26Å; W290-M328 HydrophobicContact CB-SD 4.05Å; W290-M328 HydrophobicContact CG-CE 4.44Å; W290-M328 VanDerWaalsContact O-CE 3.25Å; W290-M328 WeakPolarHBondContact O-CE 3.43Å; W290-V342 HydrophobicContact CD2-CG1 4.16Å; W290-V342 HydrophobicContact CG-CG1 4.38Å; W290-H344 AromaticContact CH2-CD2 3.81Å; W290-H344 AromaticContact CH2-NE2 3.32Å; W290-H344 VanDerWaalsContact CH2-NE2 3.32Å; W290-H344 WeakPolarHBondContact CH2-NE2 3.32Å; W290-H344 AromaticContact CZ2-NE2 3.75Å
291	S	68.8	Low	79.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-8.2	-173.9	73.1	0	0	0	0	114	Y286 D287 N293 R294 G606	Y286-S291 WeakPolarHBondContact CD2-OG 3.48Å; Y286-S291 VanDerWaalsContact CE2-OG 3.25Å; Y286-S291 WeakPolarHBondContact CE2-OG 3.3Å; D287-S291 VanDerWaalsContact C-OG 3.28Å; D287-S291 PolarHBondContact N-OG 2.93Å; D287-S291 WeakPolarHBondContact O-CA 3.45Å; D287-S291 WeakPolarHBondContact O-CB 3.26Å; D287-S291 PolarHBondContact O-N 3.14Å; D287-S291 PolarHBondContact O-OG 2.93Å; S291-N293 PolarHBondContact O-N 2.88Å; S291-R294 PolarHBondContact O-N 3.32Å; S291-G606 WeakPolarHBondContact CB-O 3.31Å; S291-G606 WeakPolarHBondContact O-CA 3.32Å
292	K	75.5	Confident	79.6	Confident	96 Å²	96	45.9 Å²	45.9	42%	0.417	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	120.9	179.7	-172.1	176.2	177.9	-175	0	111	Y286 R294	Y286-K292 WeakPolarHBondContact OH-CB 3.36Å; K292-R294 PolarHBondContact O-N 2.79Å
293	N	74.4	Confident	79.5	Confident	85 Å²	85	46 Å²	46	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	31.6	176.7	-69.5	-10.7	0	0	0	114.5	S291 N316 E318	S291-N293 PolarHBondContact O-N 2.88Å; N293-N316 PolarHBondContact O-OD1 3.21Å; N293-E318 PolarHBondContact ND2-OE2 2.86Å
294	R	79.6	Confident	79.7	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.008	22%	0.222	C	C	.	.			trans	-111.3	120.8	169.7	-70.3	-169.3	178.8	145.8	-0.4	110.3	W290 S291 K292 Y313 H314 N316 E322 V326 E604 G606	W290-R294 WeakPolarHBondContact O-CD 3.49Å; W290-R294 PolarHBondContact O-NH1 2.77Å; S291-R294 PolarHBondContact O-N 3.32Å; K292-R294 PolarHBondContact O-N 2.79Å; R294-Y313 HydrophobicContact CB-CD1 3.9Å; R294-Y313 HydrophobicContact CB-CG 4.44Å; R294-H314 WeakPolarHBondContact CD-O 3.47Å; R294-N316 HydrophobicContact CG-CB 3.81Å; R294-E322 IonicContact CZ-OE2 3.16Å; R294-E322 IonicContact NH1-OE2 3.56Å; R294-E322 VanDerWaalsContact NH2-CB 3.33Å; R294-E322 IonicContact NH2-OE2 2.64Å; R294-E322 PolarHBondContact NH2-OE2 3.13Å; R294-V326 VanDerWaalsContact NH1-CG2 3.28Å; R294-E604 CarbonylContact C-O 3.55Å; R294-G606 WeakPolarHBondContact O-CA 3.49Å; R294-G606 PolarHBondContact O-N 3.16Å
295	C	83.1	Confident	79.5	Confident	31 Å²	31	47.6 Å²	47.6	21%	0.209	22%	0.224	C	C	.	.			trans	-70.8	138	177.3	65.1	0	0	0	0	111.4	Y313 H314 E604	C295-Y313 WeakPolarHBondContact O-CA 3.38Å; C295-H314 PolarHBondContact O-N 2.84Å; C295-H314 WeakPolarHBondContact SG-CB 3.33Å; C295-E604 WeakPolarHBondContact CA-O 3.1Å; C295-E604 HydrophobicContact CB-CG 4.03Å; C295-E604 PolarHBondContact N-O 3.4Å
296	I	87.6	Confident	79.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.4	172.9	-65.2	168.2	0	0	0	107.9	M299 S312 Y313 N588 D603 K607 L608	I296-M299 HydrophobicContact CG2-CG 3.71Å; I296-M299 HydrophobicContact CG2-SD 4.21Å; I296-S312 VanDerWaalsContact CA-O 3.31Å; I296-S312 WeakPolarHBondContact CA-O 3.39Å; I296-Y313 HydrophobicContact CD1-CE1 4.02Å; I296-Y313 HydrophobicContact CG1-CD1 3.94Å; I296-Y313 HydrophobicContact CG1-CE1 3.54Å; I296-N588 WeakPolarHBondContact O-CB 3.32Å; I296-N588 PolarHBondContact O-ND2 3.29Å; I296-D603 PolarHBondContact N-O 2.94Å; I296-K607 WeakPolarHBondContact CD1-O 3.43Å; I296-L608 HydrophobicContact CD1-CB 4.05Å
297	T	85.1	Confident	79.4	Confident	18 Å²	18	47.6 Å²	47.6	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-29	-174.7	48.7	0	0	0	0	113.5	S312 H314 V349 M350 R589	T297-S312 PolarHBondContact N-O 2.84Å; T297-S312 PolarHBondContact OG1-O 2.64Å; T297-S312 PolarHBondContact OG1-OG 3.04Å; T297-H314 HydrophobicContact CG2-CB 3.76Å; T297-V349 PolarHBondContact OG1-O 3.33Å; T297-M350 HydrophobicContact CG2-SD 4.41Å; T297-R589 WeakPolarHBondContact O-CG 3.31Å; T297-R589 VanDerWaalsContact O-CZ 3.26Å; T297-R589 PolarHBondContact O-NE 2.79Å; T297-R589 PolarHBondContact O-NH2 3.1Å
298	S	84.3	Confident	79.9	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	154.6	176.7	73.6	0	0	0	0	110.5	S312 S351 T352	S298-S312 WeakPolarHBondContact CB-OG 3.39Å; S298-S312 PolarHBondContact N-OG 3.29Å; S298-S312 PolarHBondContact O-N 2.89Å; S298-S312 PolarHBondContact O-OG 2.82Å; S298-S312 PolarHBondContact OG-OG 2.89Å; S298-S351 VanDerWaalsContact OG-CA 3.31Å; S298-S351 WeakPolarHBondContact OG-CA 3.17Å; S298-T352 PolarHBondContact OG-N 3.04Å
299	M	88.7	Confident	80.7	Confident	19 Å²	19	39.5 Å²	39.5	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.7	174.1	-62.1	-175.3	-64.4	0	0	109.6	I296 V310 R589 L608	I296-M299 HydrophobicContact CG2-CG 3.71Å; I296-M299 HydrophobicContact CG2-SD 4.21Å; M299-V310 VanDerWaalsContact CA-O 3.23Å; M299-V310 WeakPolarHBondContact CA-O 3.39Å; M299-R589 HydrophobicContact CE-CB 3.7Å; M299-R589 WeakPolarHBondContact CE-O 3.42Å; M299-L608 HydrophobicContact CG-CD1 4.28Å; M299-L608 HydrophobicContact SD-CD1 3.49Å; M299-L608 WeakPolarHBondContact SD-CD1 3.49Å; M299-L608 HydrophobicContact SD-CG 3.84Å
300	D	87.8	Confident	81.5	Confident	44 Å²	44	31.5 Å²	31.5	24%	0.235	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150	173.8	-166.5	23.2	0	0	0	111	V310 C353 F354	D300-V310 PolarHBondContact N-O 3.43Å; D300-V310 PolarHBondContact O-N 3.37Å; D300-C353 VanDerWaalsContact OD2-CA 3.26Å; D300-C353 WeakPolarHBondContact OD2-CA 3.46Å; D300-C353 PolarHBondContact OD2-SG 2.86Å; D300-F354 PolarHBondContact OD2-N 2.87Å
301	W	87.5	Confident	82.2	Confident	9 Å²	9	30.5 Å²	30.5	3%	0.034	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.6	178.8	-71.7	96.6	0	0	0	111.2	P306 V309 T332 S591 W592 T593 P594 C600	W301-P306 VanDerWaalsContact CE3-O 3.28Å; W301-P306 WeakPolarHBondContact CZ3-O 3.34Å; W301-V309 HydrophobicContact CD2-CB 3.92Å; W301-V309 HydrophobicContact CD2-CG2 4.05Å; W301-V309 HydrophobicContact CE3-CB 3.69Å; W301-V309 HydrophobicContact CE3-CG2 4.34Å; W301-V309 HydrophobicContact CH2-CB 3.95Å; W301-V309 HydrophobicContact CH2-CG1 4.35Å; W301-V309 HydrophobicContact CZ2-CB 4.21Å; W301-V309 HydrophobicContact CZ2-CG2 4.28Å; W301-V309 HydrophobicContact CZ3-CB 3.69Å; W301-V309 HydrophobicContact CZ3-CG1 4.33Å; W301-T332 HydrophobicContact CH2-CG2 3.61Å; W301-T332 HydrophobicContact CZ3-CG2 3.77Å; W301-S591 PolarHBondContact NE1-O 2.77Å; W301-W592 PolarHBondContact NE1-O 2.73Å; W301-T593 HydrophobicContact CD2-CG2 4.11Å; W301-T593 HydrophobicContact CE3-CG2 4.1Å; W301-T593 HydrophobicContact CH2-CG2 3.33Å; W301-T593 HydrophobicContact CZ2-CG2 3.27Å; W301-T593 HydrophobicContact CZ3-CG2 3.76Å; W301-P594 HydrophobicContact CB-CG 4.2Å; W301-C600 HydrophobicContact CZ2-CB 3.85Å; W301-C600 WeakPolarHBondContact CZ2-SG 2.86Å
302	S	85.3	Confident	83.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.			trans	-76.5	130.4	169.3	-173.2	0	0	0	0	110.5	H304 F305 L308	S302-H304 VanDerWaalsContact C-N 3.33Å; S302-F305 WeakPolarHBondContact CB-O 3.46Å; S302-F305 CarbonylContact O-C 3.18Å; S302-F305 PolarHBondContact OG-N 2.75Å; S302-L308 PolarHBondContact N-O 3.31Å; S302-L308 VanDerWaalsContact N-O 3.08Å
303	T	76.7	Confident	83.6	Confident	68 Å²	68	25.9 Å²	25.9	42%	0.417	14%	0.139	S	C	.	.	S	Bend	trans	-74.2	-24.1	174.7	50.8	0	0	0	0	113	K356	T303-K356 HydrophobicContact CG2-CG 4.29Å; T303-K356 PolarHBondContact OG1-O 2.82Å
304	H	79.7	Confident	83.9	Confident	87 Å²	87	23.6 Å²	23.6	40%	0.403	13%	0.125	S	C	.	.	S	Bend	trans	-87.1	-35.5	178.9	-73	-65.9	0	0	0	112.5	S302 K356 P359	S302-H304 VanDerWaalsContact C-N 3.33Å; H304-K356 PolarHBondContact CD2-O 3.41Å; H304-K356 PolarHBondContact NE2-O 3.34Å; H304-P359 HydrophobicContact CB-CB 3.95Å
305	F	78.7	Confident	83.7	Confident	84 Å²	84	26.6 Å²	26.6	37%	0.368	14%	0.141	S	C	.	.			trans	-123.9	87.9	-179.6	-64.8	-58.1	0	0	0	108.2	S302 E307 L308 P359	S302-F305 WeakPolarHBondContact CB-O 3.46Å; S302-F305 CarbonylContact O-C 3.18Å; S302-F305 PolarHBondContact OG-N 2.75Å; F305-E307 WeakPolarHBondContact CD1-OE1 3.42Å; F305-E307 PolarHBondContact O-N 2.84Å; F305-L308 HydrophobicContact CB-CB 4.32Å; F305-L308 HydrophobicContact CB-CD1 3.79Å; F305-L308 HydrophobicContact CB-CG 3.9Å; F305-L308 HydrophobicContact CD2-CD1 4.02Å; F305-L308 HydrophobicContact CG-CD1 4.21Å; F305-L308 PolarHBondContact O-N 2.7Å; F305-P359 HydrophobicContact CD2-CB 3.91Å; F305-P359 HydrophobicContact CE2-CB 3.65Å; F305-P359 HydrophobicContact CE2-CG 4.19Å
306	P	75.2	Confident	83.1	Confident	59 Å²	59	26.2 Å²	26.2	38%	0.383	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.9	-175.7	27.4	-35.9	0	0	0	112.9	W301	W301-P306 VanDerWaalsContact CE3-O 3.28Å; W301-P306 WeakPolarHBondContact CZ3-O 3.34Å
307	E	80.8	Confident	82	Confident	17 Å²	17	34.7 Å²	34.7	8%	0.079	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.6	173.6	67.2	-83.6	-162.6	0	0	114.8	R249 F305 N331 T332 K333	R249-E307 IonicContact CZ-OE1 2.81Å; R249-E307 IonicContact NH1-OE1 3.22Å; R249-E307 PolarHBondContact NH1-OE1 3Å; R249-E307 VanDerWaalsContact NH2-CD 3.32Å; R249-E307 IonicContact NH2-OE1 3.06Å; R249-E307 PolarHBondContact NH2-OE1 3.08Å; R249-E307 IonicContact NH2-OE2 2.76Å; F305-E307 WeakPolarHBondContact CD1-OE1 3.42Å; F305-E307 PolarHBondContact O-N 2.84Å; E307-N331 WeakPolarHBondContact O-CA 3.45Å; E307-T332 WeakPolarHBondContact CA-OG1 3.4Å; E307-T332 WeakPolarHBondContact CB-OG1 3.48Å; E307-T332 PolarHBondContact O-N 2.9Å; E307-T332 PolarHBondContact O-OG1 3.14Å; E307-K333 HydrophobicContact CB-CD 4.45Å; E307-K333 HydrophobicContact CB-CG 3.98Å; E307-K333 HydrophobicContact CG-CG 4.47Å
308	L	85.9	Confident	80.8	Confident	15 Å²	15	39.6 Å²	39.6	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.8	-176.3	-64.5	-179.4	0	0	0	110.9	S302 F305 V329 W330 N331 F354	S302-L308 PolarHBondContact N-O 3.31Å; S302-L308 VanDerWaalsContact N-O 3.08Å; F305-L308 HydrophobicContact CB-CB 4.32Å; F305-L308 HydrophobicContact CB-CD1 3.79Å; F305-L308 HydrophobicContact CB-CG 3.9Å; F305-L308 HydrophobicContact CD2-CD1 4.02Å; F305-L308 HydrophobicContact CG-CD1 4.21Å; F305-L308 PolarHBondContact O-N 2.7Å; L308-V329 HydrophobicContact CD2-CG1 4.06Å; L308-W330 WeakPolarHBondContact CA-O 2.92Å; L308-N331 HydrophobicContact CD2-CB 3.85Å; L308-F354 HydrophobicContact CB-CZ 4.3Å
309	V	88	Confident	79.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.2	170.9	63.6	0	0	0	0	109.3	W301 W330 L608	W301-V309 HydrophobicContact CD2-CB 3.92Å; W301-V309 HydrophobicContact CD2-CG2 4.05Å; W301-V309 HydrophobicContact CE3-CB 3.69Å; W301-V309 HydrophobicContact CE3-CG2 4.34Å; W301-V309 HydrophobicContact CH2-CB 3.95Å; W301-V309 HydrophobicContact CH2-CG1 4.35Å; W301-V309 HydrophobicContact CZ2-CB 4.21Å; W301-V309 HydrophobicContact CZ2-CG2 4.28Å; W301-V309 HydrophobicContact CZ3-CB 3.69Å; W301-V309 HydrophobicContact CZ3-CG1 4.33Å; V309-W330 HydrophobicContact CG1-CB 3.62Å; V309-W330 HydrophobicContact CG1-CG 4.43Å; V309-W330 PolarHBondContact N-O 2.8Å; V309-W330 PolarHBondContact O-N 3.2Å; V309-W330 VanDerWaalsContact O-O 3.11Å; V309-L608 HydrophobicContact CG1-CD2 4.47Å; V309-L608 HydrophobicContact CG2-CD1 4.48Å
310	V	87.9	Confident	78.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.2	172.8	163.8	0	0	0	0	109.4	M299 D300 V327 M328 V329 T352 F354 I362	M299-V310 VanDerWaalsContact CA-O 3.23Å; M299-V310 WeakPolarHBondContact CA-O 3.39Å; D300-V310 PolarHBondContact N-O 3.43Å; D300-V310 PolarHBondContact O-N 3.37Å; V310-V327 HydrophobicContact CG1-CG1 3.44Å; V310-V327 VanDerWaalsContact CG1-CG1 3.44Å; V310-M328 WeakPolarHBondContact CA-O 3.48Å; V310-V329 HydrophobicContact CG2-CB 4.12Å; V310-V329 HydrophobicContact CG2-CG1 4.21Å; V310-V329 HydrophobicContact CG2-CG2 3.59Å; V310-T352 HydrophobicContact CB-CG2 4.41Å; V310-T352 HydrophobicContact CG1-CG2 3.23Å; V310-F354 HydrophobicContact CB-CD2 4.16Å; V310-F354 HydrophobicContact CB-CE2 3.55Å; V310-F354 HydrophobicContact CB-CZ 4.04Å; V310-F354 HydrophobicContact CG2-CD2 4.06Å; V310-F354 HydrophobicContact CG2-CE1 3.95Å; V310-F354 HydrophobicContact CG2-CE2 3.15Å; V310-F354 HydrophobicContact CG2-CZ 3.1Å; V310-I362 HydrophobicContact CG1-CG2 4.46Å; V310-I362 HydrophobicContact CG2-CD1 4.2Å
311	G	85.9	Confident	77.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	170.1	0	0	0	0	0	110.4	Y313 M328	G311-Y313 WeakPolarHBondContact O-CD2 3.12Å; G311-M328 PolarHBondContact N-O 3.03Å; G311-M328 PolarHBondContact O-N 3.01Å
312	S	86.6	Confident	76.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.4	167.6	62.9	0	0	0	0	110.7	I296 T297 S298 T352	I296-S312 VanDerWaalsContact CA-O 3.31Å; I296-S312 WeakPolarHBondContact CA-O 3.39Å; T297-S312 PolarHBondContact N-O 2.84Å; T297-S312 PolarHBondContact OG1-O 2.64Å; T297-S312 PolarHBondContact OG1-OG 3.04Å; S298-S312 WeakPolarHBondContact CB-OG 3.39Å; S298-S312 PolarHBondContact N-OG 3.29Å; S298-S312 PolarHBondContact O-N 2.89Å; S298-S312 PolarHBondContact O-OG 2.82Å; S298-S312 PolarHBondContact OG-OG 2.89Å; S312-T352 WeakPolarHBondContact CB-OG1 3.07Å
313	Y	86.3	Confident	75.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.4	179.8	-65.7	-93.1	0	0	0	109.6	R294 C295 I296 G311 V326 M328 W330 G606	R294-Y313 HydrophobicContact CB-CD1 3.9Å; R294-Y313 HydrophobicContact CB-CG 4.44Å; C295-Y313 WeakPolarHBondContact O-CA 3.38Å; I296-Y313 HydrophobicContact CD1-CE1 4.02Å; I296-Y313 HydrophobicContact CG1-CD1 3.94Å; I296-Y313 HydrophobicContact CG1-CE1 3.54Å; G311-Y313 WeakPolarHBondContact O-CD2 3.12Å; Y313-V326 WeakPolarHBondContact CA-O 3.23Å; Y313-V326 WeakPolarHBondContact CB-O 3.06Å; Y313-V326 PolarHBondContact N-O 3.35Å; Y313-V326 PolarHBondContact O-N 3.18Å; Y313-M328 HydrophobicContact CD1-CE 4.25Å; Y313-M328 HydrophobicContact CD2-CB 4.37Å; Y313-M328 HydrophobicContact CD2-CE 3.58Å; Y313-M328 HydrophobicContact CD2-CG 3.8Å; Y313-M328 HydrophobicContact CD2-SD 4.19Å; Y313-M328 HydrophobicContact CE1-CE 4.24Å; Y313-M328 HydrophobicContact CE2-CB 3.78Å; Y313-M328 HydrophobicContact CE2-CE 3.6Å; Y313-M328 HydrophobicContact CE2-CG 3.54Å; Y313-M328 HydrophobicContact CE2-SD 3.7Å; Y313-M328 HydrophobicContact CG-CE 3.91Å; Y313-W330 AromaticContact CE2-NE1 3.95Å; Y313-W330 AromaticContact CZ-NE1 3.92Å; Y313-W330 VanDerWaalsContact OH-CZ2 3.25Å; Y313-W330 WeakPolarHBondContact OH-CZ2 3.25Å; Y313-W330 PolarHBondContact OH-NE1 3.45Å; Y313-G606 WeakPolarHBondContact CE1-O 3.34Å
314	H	81.7	Confident	75.7	Confident	37 Å²	37	55.4 Å²	55.4	17%	0.171	29%	0.291	C	S	.	.			trans	-76.6	-175.5	174.8	-149	58.2	0	0	0	112.1	R294 C295 T297 D324 A348 M350	R294-H314 WeakPolarHBondContact CD-O 3.47Å; C295-H314 PolarHBondContact O-N 2.84Å; C295-H314 WeakPolarHBondContact SG-CB 3.33Å; T297-H314 HydrophobicContact CG2-CB 3.76Å; H314-D324 CarbonylContact C-O 3.58Å; H314-A348 VanDerWaalsContact CE1-CB 3.46Å; H314-A348 WeakPolarHBondContact CE1-CB 3.38Å; H314-A348 WeakPolarHBondContact ND1-CB 3.13Å; H314-M350 PolarHBondContact CE1-SD 3.44Å
315	N	74.9	Confident	75.6	Confident	64 Å²	64	51.3 Å²	51.3	34%	0.342	27%	0.271	S	S	.	.			trans	-63.2	154.7	176.2	66.3	-1.8	0	0	0	111.6	D324	N315-D324 WeakPolarHBondContact CA-O 3.25Å; N315-D324 WeakPolarHBondContact CB-O 3.5Å; N315-D324 PolarHBondContact N-O 3.35Å; N315-D324 VanDerWaalsContact N-O 3.12Å
316	N	70	Confident	76	Confident	24 Å²	24	47.3 Å²	47.3	13%	0.128	25%	0.254	C	S	.	.			trans	-105.8	119.7	169.3	-172.5	9.8	0	0	0	108.1	N293 R294 E318 S319	N293-N316 PolarHBondContact O-OD1 3.21Å; R294-N316 HydrophobicContact CG-CB 3.81Å; N316-E318 PolarHBondContact O-N 3.2Å; N316-E318 WeakPolarHBondContact OD1-CB 3.39Å; N316-E318 PolarHBondContact OD1-N 3.33Å; N316-E318 VanDerWaalsContact OD1-N 3.08Å; N316-S319 PolarHBondContact ND2-OG 2.93Å
317	E	64.4	Low	76.5	Confident	177 Å²	177	44.5 Å²	44.5	83%	0.827	24%	0.236	S	C	*	.	S	Bend	trans	-72.3	-20.6	175.2	-63.6	-168	158.1	0	0	112.2
318	E	61	Low	76.8	Confident	121 Å²	121	43.7 Å²	43.7	57%	0.565	23%	0.232	S	C	*	.	S	Bend	trans	-84.8	-21.9	-174.2	-156.5	178.8	-177	0	0	113.5	N293 N316	N293-E318 PolarHBondContact ND2-OE2 2.86Å; N316-E318 PolarHBondContact O-N 3.2Å; N316-E318 WeakPolarHBondContact OD1-CB 3.39Å; N316-E318 PolarHBondContact OD1-N 3.33Å; N316-E318 VanDerWaalsContact OD1-N 3.08Å
319	S	60.4	Low	76.9	Confident	34 Å²	34	43 Å²	43	24%	0.238	23%	0.228	C	C	.	.			trans	-135	86.9	-178.5	69.1	0	0	0	0	112.7	N316 N321 E322	N316-S319 PolarHBondContact ND2-OG 2.93Å; S319-N321 PolarHBondContact O-N 3.22Å; S319-N321 VanDerWaalsContact O-N 3.12Å; S319-E322 PolarHBondContact O-N 3.16Å
320	P	65.1	Low	76.8	Confident	108 Å²	108	43 Å²	43	70%	0.701	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.2	-176.6	-20.5	32	0	0	0	115.7
321	N	64.8	Low	76.6	Confident	166 Å²	166	43.2 Å²	43.2	89%	0.888	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.6	-176.3	-67.5	-19.5	0	0	0	113.2	S319	S319-N321 PolarHBondContact O-N 3.22Å; S319-N321 VanDerWaalsContact O-N 3.12Å
322	E	68.9	Low	76.1	Confident	49 Å²	49	44.6 Å²	44.6	23%	0.229	24%	0.238	C	C	.	.	S	Bend	trans	-96.8	151.5	177.4	-62.9	-160.7	160.5	0	0	110.7	R294 S319 D324	R294-E322 IonicContact CZ-OE2 3.16Å; R294-E322 IonicContact NH1-OE2 3.56Å; R294-E322 VanDerWaalsContact NH2-CB 3.33Å; R294-E322 IonicContact NH2-OE2 2.64Å; R294-E322 PolarHBondContact NH2-OE2 3.13Å; S319-E322 PolarHBondContact O-N 3.16Å; E322-D324 PolarHBondContact O-N 3.42Å
323	P	70.8	Confident	75.4	Confident	40 Å²	40	47.6 Å²	47.6	26%	0.26	25%	0.251	S	S	.	.			trans	-57.3	134.7	179.3	24.1	-35.4	0	0	0	112.3	W290 G325 V326 H344 C345	W290-P323 HydrophobicContact CZ3-CG 4.25Å; P323-G325 PolarHBondContact O-N 3.41Å; P323-G325 VanDerWaalsContact O-N 3.13Å; P323-V326 HydrophobicContact CG-CG2 4.08Å; P323-H344 HydrophobicContact CB-CB 4.21Å; P323-H344 HydrophobicContact CG-CB 3.96Å; P323-C345 WeakPolarHBondContact CB-O 3.45Å
324	D	73.6	Confident	74.3	Confident	82 Å²	82	48.2 Å²	48.2	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-57.6	-26.5	-174.2	-64.6	-1.7	0	0	0	114.9	H314 N315 E322	H314-D324 CarbonylContact C-O 3.58Å; N315-D324 WeakPolarHBondContact CA-O 3.25Å; N315-D324 WeakPolarHBondContact CB-O 3.5Å; N315-D324 PolarHBondContact N-O 3.35Å; N315-D324 VanDerWaalsContact N-O 3.12Å; E322-D324 PolarHBondContact O-N 3.42Å
325	G	77.2	Confident	73.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.4	179.3	0	0	0	0	0	110.8	P323 C345	P323-G325 PolarHBondContact O-N 3.41Å; P323-G325 VanDerWaalsContact O-N 3.13Å; G325-C345 PolarHBondContact N-O 3.11Å; G325-C345 PolarHBondContact O-N 3.44Å
326	V	85.8	Confident	72.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136	176.3	177.7	0	0	0	0	109.2	W290 R294 Y313 P323 M328 V342 F343	W290-V326 HydrophobicContact CE3-CG2 4.17Å; W290-V326 HydrophobicContact CZ3-CG2 4.33Å; R294-V326 VanDerWaalsContact NH1-CG2 3.28Å; Y313-V326 WeakPolarHBondContact CA-O 3.23Å; Y313-V326 WeakPolarHBondContact CB-O 3.06Å; Y313-V326 PolarHBondContact N-O 3.35Å; Y313-V326 PolarHBondContact O-N 3.18Å; P323-V326 HydrophobicContact CG-CG2 4.08Å; V326-M328 HydrophobicContact CG1-CE 3.9Å; V326-M328 HydrophobicContact CG1-CG 3.9Å; V326-V342 HydrophobicContact CG1-CG1 3.49Å; V326-V342 VanDerWaalsContact CG1-CG1 3.49Å; V326-F343 CarbonylContact C-O 3.58Å; V326-F343 VanDerWaalsContact CA-O 3.31Å; V326-F343 WeakPolarHBondContact CA-O 3.4Å; V326-F343 WeakPolarHBondContact CG1-O 3.05Å
327	V	87.1	Confident	72.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.9	170.3	175.4	0	0	0	0	107.4	V310 F343 V349 T352 W374	V310-V327 HydrophobicContact CG1-CG1 3.44Å; V310-V327 VanDerWaalsContact CG1-CG1 3.44Å; V327-F343 HydrophobicContact CB-CB 4.27Å; V327-F343 PolarHBondContact N-O 3.02Å; V327-F343 PolarHBondContact O-N 3.23Å; V327-V349 HydrophobicContact CG2-CB 4.1Å; V327-V349 HydrophobicContact CG2-CG1 3.86Å; V327-V349 HydrophobicContact CG2-CG2 3.96Å; V327-T352 HydrophobicContact CG1-CG2 3.92Å; V327-W374 HydrophobicContact CB-CH2 4.15Å; V327-W374 HydrophobicContact CB-CZ3 4.28Å; V327-W374 HydrophobicContact CG1-CZ3 4.37Å; V327-W374 HydrophobicContact CG2-CH2 3.33Å; V327-W374 HydrophobicContact CG2-CZ2 3.96Å; V327-W374 HydrophobicContact CG2-CZ3 3.73Å
328	M	86.5	Confident	73	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.7	177.7	-51.8	-171.8	-150.7	0	0	110	W290 V310 G311 Y313 V326 W330 P339 D341	W290-M328 VanDerWaalsContact C-CE 3.48Å; W290-M328 HydrophobicContact CB-CE 3.26Å; W290-M328 HydrophobicContact CB-SD 4.05Å; W290-M328 HydrophobicContact CG-CE 4.44Å; W290-M328 VanDerWaalsContact O-CE 3.25Å; W290-M328 WeakPolarHBondContact O-CE 3.43Å; V310-M328 WeakPolarHBondContact CA-O 3.48Å; G311-M328 PolarHBondContact N-O 3.03Å; G311-M328 PolarHBondContact O-N 3.01Å; Y313-M328 HydrophobicContact CD1-CE 4.25Å; Y313-M328 HydrophobicContact CD2-CB 4.37Å; Y313-M328 HydrophobicContact CD2-CE 3.58Å; Y313-M328 HydrophobicContact CD2-CG 3.8Å; Y313-M328 HydrophobicContact CD2-SD 4.19Å; Y313-M328 HydrophobicContact CE1-CE 4.24Å; Y313-M328 HydrophobicContact CE2-CB 3.78Å; Y313-M328 HydrophobicContact CE2-CE 3.6Å; Y313-M328 HydrophobicContact CE2-CG 3.54Å; Y313-M328 HydrophobicContact CE2-SD 3.7Å; Y313-M328 HydrophobicContact CG-CE 3.91Å; V326-M328 HydrophobicContact CG1-CE 3.9Å; V326-M328 HydrophobicContact CG1-CG 3.9Å; M328-W330 HydrophobicContact CB-CZ2 4.2Å; M328-W330 HydrophobicContact SD-CH2 4.09Å; M328-W330 HydrophobicContact SD-CZ2 3.5Å; M328-W330 WeakPolarHBondContact SD-CZ2 3.37Å; M328-P339 HydrophobicContact CB-CB 4.01Å; M328-P339 HydrophobicContact CG-CB 4.46Å; M328-P339 HydrophobicContact SD-CB 4.2Å; M328-P339 HydrophobicContact SD-CG 4.07Å; M328-D341 WeakPolarHBondContact CA-O 3.18Å
329	V	88.2	Confident	73.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.1	167.7	-175.2	0	0	0	0	107	L308 V310 E340 D341 F343 F354 I362	L308-V329 HydrophobicContact CD2-CG1 4.06Å; V310-V329 HydrophobicContact CG2-CB 4.12Å; V310-V329 HydrophobicContact CG2-CG1 4.21Å; V310-V329 HydrophobicContact CG2-CG2 3.59Å; V329-E340 PolarHBondContact O-N 2.71Å; V329-D341 HydrophobicContact CB-CB 4.16Å; V329-D341 HydrophobicContact CG2-CB 4.02Å; V329-D341 PolarHBondContact N-O 3.2Å; V329-F343 HydrophobicContact CG2-CD2 4.48Å; V329-F343 HydrophobicContact CG2-CE2 3.86Å; V329-F354 HydrophobicContact CG1-CZ 4.42Å; V329-I362 HydrophobicContact CG2-CD1 3.52Å
330	W	86.4	Confident	74.6	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	147.2	172.4	-56.1	102.1	0	0	0	109.6	F285 D287 L308 V309 Y313 M328 S337 P339	F285-W330 HydrophobicContact CB-CD2 3.79Å; F285-W330 HydrophobicContact CB-CE3 3.67Å; F285-W330 HydrophobicContact CB-CG 4.4Å; F285-W330 HydrophobicContact CB-CH2 4.15Å; F285-W330 HydrophobicContact CB-CZ2 4.27Å; F285-W330 HydrophobicContact CB-CZ3 3.86Å; F285-W330 HydrophobicContact CD1-CB 4.45Å; F285-W330 HydrophobicContact CD1-CD2 4.25Å; F285-W330 AromaticContact CD1-CE3 3.69Å; F285-W330 HydrophobicContact CD1-CE3 3.69Å; F285-W330 HydrophobicContact CD1-CZ3 4.28Å; F285-W330 HydrophobicContact CD2-CB 4.31Å; F285-W330 HydrophobicContact CD2-CG 4.4Å; F285-W330 HydrophobicContact CE1-CB 4.47Å; F285-W330 HydrophobicContact CE2-CB 4.27Å; F285-W330 HydrophobicContact CG-CB 4.35Å; F285-W330 AromaticContact CG-CD2 3.99Å; F285-W330 HydrophobicContact CG-CD2 3.99Å; F285-W330 AromaticContact CG-CE3 3.83Å; F285-W330 HydrophobicContact CG-CE3 3.83Å; F285-W330 HydrophobicContact CG-CG 4.24Å; F285-W330 HydrophobicContact CG-CZ3 4.41Å; F285-W330 HydrophobicContact CZ-CB 4.37Å; D287-W330 HydrophobicContact CB-CH2 4.04Å; L308-W330 WeakPolarHBondContact CA-O 2.92Å; V309-W330 HydrophobicContact CG1-CB 3.62Å; V309-W330 HydrophobicContact CG1-CG 4.43Å; V309-W330 PolarHBondContact N-O 2.8Å; V309-W330 PolarHBondContact O-N 3.2Å; V309-W330 VanDerWaalsContact O-O 3.11Å; Y313-W330 AromaticContact CE2-NE1 3.95Å; Y313-W330 AromaticContact CZ-NE1 3.92Å; Y313-W330 VanDerWaalsContact OH-CZ2 3.25Å; Y313-W330 WeakPolarHBondContact OH-CZ2 3.25Å; Y313-W330 PolarHBondContact OH-NE1 3.45Å; M328-W330 HydrophobicContact CB-CZ2 4.2Å; M328-W330 HydrophobicContact SD-CH2 4.09Å; M328-W330 HydrophobicContact SD-CZ2 3.5Å; M328-W330 WeakPolarHBondContact SD-CZ2 3.37Å; W330-S337 VanDerWaalsContact CZ3-O 3.26Å; W330-S337 WeakPolarHBondContact CZ3-O 3.26Å; W330-P339 HydrophobicContact CD2-CB 4.25Å; W330-P339 HydrophobicContact CE3-CB 3.88Å; W330-P339 HydrophobicContact CH2-CB 3.91Å; W330-P339 HydrophobicContact CH2-CG 4.08Å; W330-P339 HydrophobicContact CZ2-CB 4.26Å; W330-P339 HydrophobicContact CZ3-CB 3.7Å; W330-P339 HydrophobicContact CZ3-CG 4.13Å; W330-P339 VanDerWaalsContact CZ3-N 3.26Å
331	N	83.4	Confident	75.3	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.8	176.9	-171	-29.5	0	0	0	108.6	E307 L308 K333 F334 E340	E307-N331 WeakPolarHBondContact O-CA 3.45Å; L308-N331 HydrophobicContact CD2-CB 3.85Å; N331-K333 PolarHBondContact O-N 3.33Å; N331-K333 WeakPolarHBondContact OD1-CB 3.47Å; N331-K333 PolarHBondContact OD1-N 3.16Å; N331-F334 HydrophobicContact CB-CD2 3.44Å; N331-F334 VanDerWaalsContact CB-CD2 3.44Å; N331-F334 HydrophobicContact CB-CE2 3.71Å; N331-F334 HydrophobicContact CB-CG 4.28Å; N331-F334 PolarHBondContact O-N 3.03Å; N331-E340 PolarHBondContact ND2-OE2 3.07Å; N331-E340 VanDerWaalsContact ND2-OE2 3.1Å
332	T	76.1	Confident	76.3	Confident	28 Å²	28	37.6 Å²	37.6	17%	0.172	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.8	178.8	55.1	0	0	0	0	113.6	R283 F285 W301 E307	R283-T332 PolarHBondContact NH1-O 3.47Å; F285-T332 HydrophobicContact CZ-CG2 4.33Å; W301-T332 HydrophobicContact CH2-CG2 3.61Å; W301-T332 HydrophobicContact CZ3-CG2 3.77Å; E307-T332 WeakPolarHBondContact CA-OG1 3.4Å; E307-T332 WeakPolarHBondContact CB-OG1 3.48Å; E307-T332 PolarHBondContact O-N 2.9Å; E307-T332 PolarHBondContact O-OG1 3.14Å
333	K	69.9	Low	77.1	Confident	64 Å²	64	35.6 Å²	35.6	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-29.7	173.9	-68.8	-166.1	171.9	-153.8	0	111.9	R249 S252 E253 E307 N331	R249-K333 HydrophobicContact CG-CB 4.37Å; R249-K333 HydrophobicContact CG-CD 4.06Å; S252-K333 WeakPolarHBondContact CB-O 3.33Å; S252-K333 PolarHBondContact OG-O 2.78Å; E253-K333 IonicContact OE1-NZ 3.59Å; E253-K333 PolarHBondContact OE1-NZ 3.21Å; E307-K333 HydrophobicContact CB-CD 4.45Å; E307-K333 HydrophobicContact CB-CG 3.98Å; E307-K333 HydrophobicContact CG-CG 4.47Å; N331-K333 PolarHBondContact O-N 3.33Å; N331-K333 WeakPolarHBondContact OD1-CB 3.47Å; N331-K333 PolarHBondContact OD1-N 3.16Å
334	F	64.9	Low	77.8	Confident	13 Å²	13	35.1 Å²	35.1	6%	0.057	18%	0.178	C	C	.	.			trans	-69.9	139.5	-178.8	-67.3	-47.1	0	0	0	112.4	R245 E248 R249 R283 N331 E340	R245-F334 HydrophobicContact CB-CZ 4.31Å; R245-F334 WeakPolarHBondContact O-CE1 2.79Å; E248-F334 HydrophobicContact CB-CD1 3.7Å; E248-F334 HydrophobicContact CB-CE1 3.46Å; E248-F334 VanDerWaalsContact CB-CE1 3.46Å; R249-F334 HydrophobicContact CB-CE1 4.07Å; R283-F334 PolarHBondContact NH1-O 2.99Å; N331-F334 HydrophobicContact CB-CD2 3.44Å; N331-F334 VanDerWaalsContact CB-CD2 3.44Å; N331-F334 HydrophobicContact CB-CE2 3.71Å; N331-F334 HydrophobicContact CB-CG 4.28Å; N331-F334 PolarHBondContact O-N 3.03Å; F334-E340 HydrophobicContact CE2-CB 4.25Å; F334-E340 HydrophobicContact CE2-CG 4.18Å
335	K	58.8	Low	78.2	Confident	166 Å²	166	31.5 Å²	31.5	72%	0.722	16%	0.159	S	C	*	.	S	Bend	trans	-84.1	-18.5	176.4	-166.8	171.4	-177.6	176.1	0	112.7
336	K	63.9	Low	78.3	Confident	123 Å²	123	38.1 Å²	38.1	54%	0.535	19%	0.19	S	C	.	.	S	Bend	trans	-86.1	145.8	175.2	-69.3	178.1	-174.9	162.7	0	110.3	E248 T338	E248-K336 IonicContact OE1-NZ 3.1Å; E248-K336 PolarHBondContact OE1-NZ 2.81Å; K336-T338 PolarHBondContact O-N 2.8Å; K336-T338 VanDerWaalsContact O-N 3.14Å
337	S	66.8	Low	78.2	Confident	59 Å²	59	39.2 Å²	39.2	41%	0.413	20%	0.197	S	C	.	.	S	Bend	trans	-79	20.1	176	66.3	0	0	0	0	113.7	Y286 W330	Y286-S337 WeakPolarHBondContact O-CB 3.44Å; Y286-S337 PolarHBondContact O-OG 3Å; Y286-S337 VanDerWaalsContact O-OG 3.12Å; W330-S337 VanDerWaalsContact CZ3-O 3.26Å; W330-S337 WeakPolarHBondContact CZ3-O 3.26Å
338	T	74.3	Confident	78.1	Confident	70 Å²	70	39.6 Å²	39.6	43%	0.429	20%	0.201	S	C	.	.			trans	-93.2	135.3	-180	51.5	0	0	0	0	110.5	K336	K336-T338 PolarHBondContact O-N 2.8Å; K336-T338 VanDerWaalsContact O-N 3.14Å
339	P	77.2	Confident	78.1	Confident	19 Å²	19	39.6 Å²	39.6	12%	0.123	20%	0.201	C	C	.	.			trans	-68.3	147.5	177.4	27.9	-33.7	0	0	0	111	D287 M328 W330 V342	D287-P339 WeakPolarHBondContact OD2-CD 3.31Å; M328-P339 HydrophobicContact CB-CB 4.01Å; M328-P339 HydrophobicContact CG-CB 4.46Å; M328-P339 HydrophobicContact SD-CB 4.2Å; M328-P339 HydrophobicContact SD-CG 4.07Å; W330-P339 HydrophobicContact CD2-CB 4.25Å; W330-P339 HydrophobicContact CE3-CB 3.88Å; W330-P339 HydrophobicContact CH2-CB 3.91Å; W330-P339 HydrophobicContact CH2-CG 4.08Å; W330-P339 HydrophobicContact CZ2-CB 4.26Å; W330-P339 HydrophobicContact CZ3-CB 3.7Å; W330-P339 HydrophobicContact CZ3-CG 4.13Å; W330-P339 VanDerWaalsContact CZ3-N 3.26Å; P339-V342 HydrophobicContact CB-CG2 3.99Å; P339-V342 HydrophobicContact CG-CG2 3.49Å; P339-V342 VanDerWaalsContact CG-CG2 3.49Å
340	E	77.1	Confident	78	Confident	40 Å²	40	40.9 Å²	40.9	19%	0.187	21%	0.207	C	C	.	.	S	Bend	trans	-72.6	-47.4	179.1	-175.8	172.6	167.3	0	0	110.8	R245 V329 N331 F334	R245-E340 IonicContact CZ-OE1 2.71Å; R245-E340 IonicContact NH1-OE1 2.67Å; R245-E340 PolarHBondContact NH1-OE1 2.97Å; R245-E340 PolarHBondContact NH2-O 2.67Å; V329-E340 PolarHBondContact O-N 2.71Å; N331-E340 PolarHBondContact ND2-OE2 3.07Å; N331-E340 VanDerWaalsContact ND2-OE2 3.1Å; F334-E340 HydrophobicContact CE2-CB 4.25Å; F334-E340 HydrophobicContact CE2-CG 4.18Å
341	D	80.3	Confident	77.9	Confident	11 Å²	11	41 Å²	41	6%	0.059	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.4	178	-69.1	-60.4	0	0	0	110.8	R245 M328 V329 F343 N376	R245-D341 IonicContact CZ-OD1 3.44Å; R245-D341 IonicContact CZ-OD2 3.18Å; R245-D341 IonicContact NH1-OD1 2.91Å; R245-D341 PolarHBondContact NH1-OD1 3.15Å; R245-D341 IonicContact NH1-OD2 3.67Å; R245-D341 PolarHBondContact NH1-OD2 3.42Å; R245-D341 VanDerWaalsContact NH1-OD2 3.08Å; R245-D341 IonicContact NH2-OD1 3.33Å; R245-D341 PolarHBondContact NH2-OD1 2.8Å; R245-D341 IonicContact NH2-OD2 3Å; M328-D341 WeakPolarHBondContact CA-O 3.18Å; V329-D341 HydrophobicContact CB-CB 4.16Å; V329-D341 HydrophobicContact CG2-CB 4.02Å; V329-D341 PolarHBondContact N-O 3.2Å; D341-F343 HydrophobicContact CB-CE2 3.82Å; D341-F343 HydrophobicContact CB-CZ 3.94Å; D341-N376 PolarHBondContact OD2-ND2 2.54Å; D341-N376 PolarHBondContact OD2-OD1 2.92Å
342	V	86.3	Confident	78.1	Confident	20 Å²	20	41.1 Å²	41.1	12%	0.121	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.4	179.3	-176	0	0	0	0	108.6	W290 V326 P339 H344	W290-V342 HydrophobicContact CD2-CG1 4.16Å; W290-V342 HydrophobicContact CG-CG1 4.38Å; V326-V342 HydrophobicContact CG1-CG1 3.49Å; V326-V342 VanDerWaalsContact CG1-CG1 3.49Å; P339-V342 HydrophobicContact CB-CG2 3.99Å; P339-V342 HydrophobicContact CG-CG2 3.49Å; P339-V342 VanDerWaalsContact CG-CG2 3.49Å; V342-H344 PolarHBondContact O-CE1 2.91Å; V342-H344 VanDerWaalsContact O-CE1 3.22Å; V342-H344 PolarHBondContact O-ND1 2.85Å; V342-H344 VanDerWaalsContact O-ND1 3.16Å
343	F	85.4	Confident	78.5	Confident	7 Å²	7	40 Å²	40	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.1	177.1	-58.6	-72	0	0	0	110.7	V326 V327 V329 D341 I362 W374	V326-F343 CarbonylContact C-O 3.58Å; V326-F343 VanDerWaalsContact CA-O 3.31Å; V326-F343 WeakPolarHBondContact CA-O 3.4Å; V326-F343 WeakPolarHBondContact CG1-O 3.05Å; V327-F343 HydrophobicContact CB-CB 4.27Å; V327-F343 PolarHBondContact N-O 3.02Å; V327-F343 PolarHBondContact O-N 3.23Å; V329-F343 HydrophobicContact CG2-CD2 4.48Å; V329-F343 HydrophobicContact CG2-CE2 3.86Å; D341-F343 HydrophobicContact CB-CE2 3.82Å; D341-F343 HydrophobicContact CB-CZ 3.94Å; F343-I362 HydrophobicContact CD2-CD1 4.28Å; F343-I362 HydrophobicContact CE2-CD1 3.56Å; F343-I362 HydrophobicContact CZ-CD1 4.28Å; F343-W374 HydrophobicContact CB-CD2 4.17Å; F343-W374 HydrophobicContact CB-CG 4.03Å; F343-W374 HydrophobicContact CD1-CB 3.93Å; F343-W374 AromaticContact CD1-CD1 3.69Å; F343-W374 AromaticContact CD1-CG 3.92Å; F343-W374 HydrophobicContact CD1-CG 3.92Å; F343-W374 HydrophobicContact CD2-CB 4.39Å; F343-W374 HydrophobicContact CD2-CG 4.41Å; F343-W374 HydrophobicContact CE1-CB 4.03Å; F343-W374 HydrophobicContact CE2-CB 4.49Å; F343-W374 HydrophobicContact CG-CB 4.11Å; F343-W374 AromaticContact CG-CD1 3.81Å; F343-W374 HydrophobicContact CG-CD2 4.34Å; F343-W374 AromaticContact CG-CG 3.85Å; F343-W374 HydrophobicContact CG-CG 3.85Å; F343-W374 HydrophobicContact CZ-CB 4.31Å
344	H	84.8	Confident	79.3	Confident	30 Å²	30	37.2 Å²	37.2	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.5	-170.4	-51.2	40.6	0	0	0	107	W290 P323 V342 R381 P383	W290-H344 AromaticContact CH2-CD2 3.81Å; W290-H344 AromaticContact CH2-NE2 3.32Å; W290-H344 VanDerWaalsContact CH2-NE2 3.32Å; W290-H344 WeakPolarHBondContact CH2-NE2 3.32Å; W290-H344 AromaticContact CZ2-NE2 3.75Å; P323-H344 HydrophobicContact CB-CB 4.21Å; P323-H344 HydrophobicContact CG-CB 3.96Å; V342-H344 PolarHBondContact O-CE1 2.91Å; V342-H344 VanDerWaalsContact O-CE1 3.22Å; V342-H344 PolarHBondContact O-ND1 2.85Å; V342-H344 VanDerWaalsContact O-ND1 3.16Å; H344-R381 WeakPolarHBondContact CE1-CD 3.49Å; H344-R381 VanDerWaalsContact CE1-CG 3.48Å; H344-R381 WeakPolarHBondContact CE1-CG 3.2Å; H344-R381 PolarHBondContact CE1-NH1 3.12Å; H344-R381 PolarHBondContact N-O 2.79Å; H344-R381 WeakPolarHBondContact ND1-CB 3.24Å; H344-R381 PolarHBondContact NE2-NH1 2.96Å; H344-P383 WeakPolarHBondContact O-CD 3.44Å
345	C	81.3	Confident	80.1	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.034	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.8	174.3	-161.7	0	0	0	0	109.7	P323 G325 S347 V349 T366 W374	P323-C345 WeakPolarHBondContact CB-O 3.45Å; G325-C345 PolarHBondContact N-O 3.11Å; G325-C345 PolarHBondContact O-N 3.44Å; C345-S347 WeakPolarHBondContact CB-O 3.32Å; C345-S347 PolarHBondContact O-N 3.08Å; C345-S347 PolarHBondContact SG-O 2.93Å; C345-V349 HydrophobicContact CB-CG2 3.84Å; C345-T366 VanDerWaalsContact SG-CG2 3.51Å; C345-W374 HydrophobicContact CB-CZ2 4.38Å
346	Q	80.2	Confident	80.9	Confident	140 Å²	140	32.3 Å²	32.3	65%	0.654	17%	0.168	S	C	*	.	S	Bend	trans	-76.6	-13.2	175.8	-74.8	173.5	-14.3	0	0	112.9
347	S	83.1	Confident	81.7	Confident	23 Å²	23	28.3 Å²	28.3	16%	0.161	15%	0.151	C	C	.	.	S	Bend	trans	-130.6	146.6	179.2	179.7	0	0	0	0	107.7	C345 V349 S368	C345-S347 WeakPolarHBondContact CB-O 3.32Å; C345-S347 PolarHBondContact O-N 3.08Å; C345-S347 PolarHBondContact SG-O 2.93Å; S347-V349 PolarHBondContact O-N 3.44Å; S347-S368 PolarHBondContact OG-N 3.29Å
348	A	84.4	Confident	82.3	Confident	8 Å²	8	28.3 Å²	28.3	7%	0.066	15%	0.146	C	C	.	.			trans	-54.7	136.7	178.9	0	0	0	0	0	111.2	H314 T366 Y367	H314-A348 VanDerWaalsContact CE1-CB 3.46Å; H314-A348 WeakPolarHBondContact CE1-CB 3.38Å; H314-A348 WeakPolarHBondContact ND1-CB 3.13Å; A348-T366 CarbonylContact O-C 3.54Å; A348-T366 WeakPolarHBondContact O-CA 3.16Å; A348-Y367 PolarHBondContact O-N 3.35Å
349	V	86.8	Confident	82.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.8	-178.5	-177.1	0	0	0	0	108.1	T297 V327 C345 S347 S351 T352 W374	T297-V349 PolarHBondContact OG1-O 3.33Å; V327-V349 HydrophobicContact CG2-CB 4.1Å; V327-V349 HydrophobicContact CG2-CG1 3.86Å; V327-V349 HydrophobicContact CG2-CG2 3.96Å; C345-V349 HydrophobicContact CB-CG2 3.84Å; S347-V349 PolarHBondContact O-N 3.44Å; V349-S351 VanDerWaalsContact CG1-O 3.27Å; V349-S351 WeakPolarHBondContact CG1-O 3.28Å; V349-T352 VanDerWaalsContact CG1-OG1 3.29Å; V349-T352 WeakPolarHBondContact CG1-OG1 3.49Å; V349-W374 HydrophobicContact CG1-CH2 4.27Å; V349-W374 HydrophobicContact CG2-CH2 4.08Å; V349-W374 HydrophobicContact CG2-CZ2 4.39Å
350	M	86.5	Confident	82.8	Confident	27 Å²	27	27.5 Å²	27.5	13%	0.133	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-37.2	-177	-70.4	-56.6	-62.9	0	0	111.9	T297 H314 G365 Y367 P397 V398 Y399	T297-M350 HydrophobicContact CG2-SD 4.41Å; H314-M350 PolarHBondContact CE1-SD 3.44Å; M350-G365 PolarHBondContact N-O 2.91Å; M350-Y367 HydrophobicContact CG-CD2 4.41Å; M350-Y367 HydrophobicContact SD-CD2 4.37Å; M350-P397 HydrophobicContact CG-CB 4.37Å; M350-V398 WeakPolarHBondContact CB-O 3.36Å; M350-Y399 HydrophobicContact CE-CD1 3.62Å; M350-Y399 HydrophobicContact CE-CE1 3.54Å
351	S	84.3	Confident	83.3	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.3	178.4	49.3	0	0	0	0	110.5	S298 V349 G364 G365 V398 Y399	S298-S351 VanDerWaalsContact OG-CA 3.31Å; S298-S351 WeakPolarHBondContact OG-CA 3.17Å; V349-S351 VanDerWaalsContact CG1-O 3.27Å; V349-S351 WeakPolarHBondContact CG1-O 3.28Å; S351-G364 CarbonylContact O-C 3.46Å; S351-G364 WeakPolarHBondContact O-CA 3.19Å; S351-G365 PolarHBondContact N-O 2.96Å; S351-G365 PolarHBondContact O-N 2.95Å; S351-V398 PolarHBondContact OG-O 2.95Å; S351-Y399 WeakPolarHBondContact CB-O 3.44Å
352	T	87.9	Confident	83.7	Confident	7 Å²	7	26.7 Å²	26.7	4%	0.043	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.7	173.6	-63	0	0	0	0	108.9	S298 V310 S312 V327 V349 I362 L363 W374	S298-T352 PolarHBondContact OG-N 3.04Å; V310-T352 HydrophobicContact CB-CG2 4.41Å; V310-T352 HydrophobicContact CG1-CG2 3.23Å; S312-T352 WeakPolarHBondContact CB-OG1 3.07Å; V327-T352 HydrophobicContact CG1-CG2 3.92Å; V349-T352 VanDerWaalsContact CG1-OG1 3.29Å; V349-T352 WeakPolarHBondContact CG1-OG1 3.49Å; T352-I362 HydrophobicContact CG2-CG2 3.66Å; T352-L363 CarbonylContact C-O 3.59Å; T352-L363 VanDerWaalsContact CA-O 3.29Å; T352-L363 WeakPolarHBondContact CA-O 3.46Å; T352-L363 WeakPolarHBondContact CG2-O 3.28Å; T352-W374 HydrophobicContact CG2-CZ3 4.41Å
353	C	85.1	Confident	83.8	Confident	4 Å²	4	25.8 Å²	25.8	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.2	-180	-178.9	0	0	0	0	109.8	D300 L363 L401	D300-C353 VanDerWaalsContact OD2-CA 3.26Å; D300-C353 WeakPolarHBondContact OD2-CA 3.46Å; D300-C353 PolarHBondContact OD2-SG 2.86Å; C353-L363 PolarHBondContact N-O 2.71Å; C353-L363 PolarHBondContact O-N 2.86Å; C353-L401 HydrophobicContact CB-CD2 4.47Å; C353-L401 WeakPolarHBondContact CB-O 3.47Å
354	F	85.6	Confident	83.9	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	143.7	169	-88.1	-73	0	0	0	111.1	D300 L308 V310 V329 K356 I362	D300-F354 PolarHBondContact OD2-N 2.87Å; L308-F354 HydrophobicContact CB-CZ 4.3Å; V310-F354 HydrophobicContact CB-CD2 4.16Å; V310-F354 HydrophobicContact CB-CE2 3.55Å; V310-F354 HydrophobicContact CB-CZ 4.04Å; V310-F354 HydrophobicContact CG2-CD2 4.06Å; V310-F354 HydrophobicContact CG2-CE1 3.95Å; V310-F354 HydrophobicContact CG2-CE2 3.15Å; V310-F354 HydrophobicContact CG2-CZ 3.1Å; V329-F354 HydrophobicContact CG1-CZ 4.42Å; F354-K356 PolarHBondContact O-N 3.43Å; F354-K356 VanDerWaalsContact O-N 3.12Å; F354-I362 HydrophobicContact CD1-CG1 3.81Å; F354-I362 HydrophobicContact CE1-CD1 3.94Å; F354-I362 HydrophobicContact CE1-CG1 3.61Å; F354-I362 HydrophobicContact CZ-CD1 4.49Å; F354-I362 HydrophobicContact CZ-CG1 4.49Å
355	A	81.9	Confident	84.1	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.			trans	-71.7	108.5	167.2	0	0	0	0	0	109.8	F357 N358 L361 M403	A355-F357 PolarHBondContact O-N 2.92Å; A355-N358 HydrophobicContact CB-CB 4.08Å; A355-N358 WeakPolarHBondContact CB-O 3.16Å; A355-N358 CarbonylContact O-C 3.56Å; A355-N358 PolarHBondContact O-N 3.16Å; A355-N358 VanDerWaalsContact O-N 3.16Å; A355-L361 HydrophobicContact CB-CB 3.85Å; A355-L361 WeakPolarHBondContact CB-O 3.36Å; A355-L361 PolarHBondContact N-O 2.92Å; A355-L361 VanDerWaalsContact N-O 3.14Å; A355-M403 HydrophobicContact CB-CE 3.53Å; A355-M403 HydrophobicContact CB-SD 3.95Å
356	K	76.1	Confident	84.4	Confident	76 Å²	76	23.8 Å²	23.8	33%	0.33	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.5	-179.3	-69.5	178.6	178.4	163.8	0	115.1	T303 H304 F354 M403	T303-K356 HydrophobicContact CG2-CG 4.29Å; T303-K356 PolarHBondContact OG1-O 2.82Å; H304-K356 PolarHBondContact CD2-O 3.41Å; H304-K356 PolarHBondContact NE2-O 3.34Å; F354-K356 PolarHBondContact O-N 3.43Å; F354-K356 VanDerWaalsContact O-N 3.12Å; K356-M403 HydrophobicContact CB-SD 4.41Å; K356-M403 WeakPolarHBondContact CE-O 3.4Å; K356-M403 PolarHBondContact N-SD 3.21Å; K356-M403 PolarHBondContact NZ-O 3.23Å
357	F	79.7	Confident	84.8	Confident	40 Å²	40	23.5 Å²	23.5	18%	0.175	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-16.9	-174.1	-61.4	-55.7	0	0	0	113.7	A355 M403 G405 T406 Q407 H410	A355-F357 PolarHBondContact O-N 2.92Å; F357-M403 HydrophobicContact CD2-SD 3.82Å; F357-M403 HydrophobicContact CE2-SD 4.34Å; F357-G405 VanDerWaalsContact CZ-O 3.23Å; F357-G405 WeakPolarHBondContact CZ-O 3.39Å; F357-T406 VanDerWaalsContact CE2-C 3.48Å; F357-T406 WeakPolarHBondContact CE2-O 3.49Å; F357-T406 VanDerWaalsContact CZ-CA 3.47Å; F357-Q407 VanDerWaalsContact CB-OE1 3.29Å; F357-Q407 HydrophobicContact CD1-CB 4.11Å; F357-Q407 HydrophobicContact CE1-CB 4.49Å; F357-Q407 PolarHBondContact O-NE2 2.8Å; F357-H410 HydrophobicContact CD2-CB 3.57Å; F357-H410 HydrophobicContact CE2-CB 3.68Å
358	N	79.9	Confident	84.9	Confident	58 Å²	58	24.3 Å²	24.3	31%	0.31	12%	0.121	S	C	.	.			trans	-133.8	96.3	-173.9	-78.8	-40.5	0	0	0	108.4	A355 N360 L361	A355-N358 HydrophobicContact CB-CB 4.08Å; A355-N358 WeakPolarHBondContact CB-O 3.16Å; A355-N358 CarbonylContact O-C 3.56Å; A355-N358 PolarHBondContact O-N 3.16Å; A355-N358 VanDerWaalsContact O-N 3.16Å; N358-N360 PolarHBondContact O-N 2.93Å; N358-L361 HydrophobicContact CB-CB 4.29Å; N358-L361 HydrophobicContact CB-CD1 3.88Å; N358-L361 HydrophobicContact CB-CG 4.13Å; N358-L361 PolarHBondContact O-N 2.93Å; N358-L361 VanDerWaalsContact O-N 3.09Å
359	P	78.4	Confident	84.9	Confident	32 Å²	32	24 Å²	24	21%	0.208	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.9	-169.2	24.6	-34.4	0	0	0	114.7	H304 F305	H304-P359 HydrophobicContact CB-CB 3.95Å; F305-P359 HydrophobicContact CD2-CB 3.91Å; F305-P359 HydrophobicContact CE2-CB 3.65Å; F305-P359 HydrophobicContact CE2-CG 4.19Å
360	N	84.3	Confident	84.9	Confident	41 Å²	41	26.2 Å²	26.2	22%	0.219	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13	-178.7	-57.1	-78.1	0	0	0	112.7	N358 D375 N376 R377	N358-N360 PolarHBondContact O-N 2.93Å; N360-D375 WeakPolarHBondContact CB-OD1 3.47Å; N360-D375 CarbonylContact O-C 3.51Å; N360-D375 WeakPolarHBondContact O-CA 3.23Å; N360-N376 PolarHBondContact O-N 3.48Å; N360-R377 HydrophobicContact CB-CG 4.01Å; N360-R377 VanDerWaalsContact CG-NE 3.27Å; N360-R377 PolarHBondContact ND2-NE 3Å; N360-R377 VanDerWaalsContact ND2-NE 3.12Å; N360-R377 PolarHBondContact ND2-NH2 2.97Å
361	L	87.5	Confident	85	Confident	33 Å²	33	25 Å²	25	17%	0.173	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.7	-176.5	-64.2	178.7	0	0	0	110.5	A355 N358 L373 W374 D375 L426	A355-L361 HydrophobicContact CB-CB 3.85Å; A355-L361 WeakPolarHBondContact CB-O 3.36Å; A355-L361 PolarHBondContact N-O 2.92Å; A355-L361 VanDerWaalsContact N-O 3.14Å; N358-L361 HydrophobicContact CB-CB 4.29Å; N358-L361 HydrophobicContact CB-CD1 3.88Å; N358-L361 HydrophobicContact CB-CG 4.13Å; N358-L361 PolarHBondContact O-N 2.93Å; N358-L361 VanDerWaalsContact O-N 3.09Å; L361-L373 HydrophobicContact CB-CD1 4.37Å; L361-L373 HydrophobicContact CD2-CD1 4.33Å; L361-L373 HydrophobicContact CD2-CD2 4.49Å; L361-W374 WeakPolarHBondContact CA-O 3.36Å; L361-D375 HydrophobicContact CD2-CB 3.99Å; L361-L426 HydrophobicContact CD1-CD1 4.28Å
362	I	88.7	Confident	85.2	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.8	175.6	-56.2	166.3	0	0	0	107.3	V310 V329 F343 T352 F354 W374	V310-I362 HydrophobicContact CG1-CG2 4.46Å; V310-I362 HydrophobicContact CG2-CD1 4.2Å; V329-I362 HydrophobicContact CG2-CD1 3.52Å; F343-I362 HydrophobicContact CD2-CD1 4.28Å; F343-I362 HydrophobicContact CE2-CD1 3.56Å; F343-I362 HydrophobicContact CZ-CD1 4.28Å; T352-I362 HydrophobicContact CG2-CG2 3.66Å; F354-I362 HydrophobicContact CD1-CG1 3.81Å; F354-I362 HydrophobicContact CE1-CD1 3.94Å; F354-I362 HydrophobicContact CE1-CG1 3.61Å; F354-I362 HydrophobicContact CZ-CD1 4.49Å; F354-I362 HydrophobicContact CZ-CG1 4.49Å; I362-W374 HydrophobicContact CB-CB 4.33Å; I362-W374 HydrophobicContact CB-CE3 4.12Å; I362-W374 HydrophobicContact CG2-CE3 3.77Å; I362-W374 HydrophobicContact CG2-CZ3 4.19Å; I362-W374 PolarHBondContact N-O 2.8Å; I362-W374 PolarHBondContact O-N 3.44Å
363	L	88.6	Confident	85.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.3	179.5	-63.5	159.4	0	0	0	109.5	T352 C353 V372 L373 L401 M403 V412 L426	T352-L363 CarbonylContact C-O 3.59Å; T352-L363 VanDerWaalsContact CA-O 3.29Å; T352-L363 WeakPolarHBondContact CA-O 3.46Å; T352-L363 WeakPolarHBondContact CG2-O 3.28Å; C353-L363 PolarHBondContact N-O 2.71Å; C353-L363 PolarHBondContact O-N 2.86Å; L363-V372 WeakPolarHBondContact CA-O 3.13Å; L363-L373 HydrophobicContact CD2-CD1 3.37Å; L363-L373 HydrophobicContact CG-CD1 4.17Å; L363-L401 HydrophobicContact CB-CD2 3.55Å; L363-M403 HydrophobicContact CD1-CE 3.84Å; L363-V412 HydrophobicContact CD1-CB 4.37Å; L363-V412 HydrophobicContact CD1-CG1 3.98Å; L363-V412 HydrophobicContact CD1-CG2 3.43Å; L363-V412 VanDerWaalsContact CD1-CG2 3.43Å; L363-V412 HydrophobicContact CD2-CG2 4.4Å; L363-L426 HydrophobicContact CD1-CD2 4.1Å; L363-L426 HydrophobicContact CD2-CD2 3.78Å; L363-L426 HydrophobicContact CG-CD2 4.41Å
364	G	87.8	Confident	85.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.7	174.2	0	0	0	0	0	112	S351 I371 V372 W374	S351-G364 CarbonylContact O-C 3.46Å; S351-G364 WeakPolarHBondContact O-CA 3.19Å; G364-I371 CarbonylContact O-C 3.59Å; G364-I371 WeakPolarHBondContact O-CA 3.45Å; G364-V372 PolarHBondContact N-O 3.3Å; G364-V372 WeakPolarHBondContact O-CG2 3.31Å; G364-V372 PolarHBondContact O-N 3.26Å; G364-W374 VanDerWaalsContact CA-CZ3 3.42Å; G364-W374 VanDerWaalsContact N-CZ3 3.34Å
365	G	88.8	Confident	85.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.1	166.7	0	0	0	0	0	109.9	M350 S351	M350-G365 PolarHBondContact N-O 2.91Å; S351-G365 PolarHBondContact N-O 2.96Å; S351-G365 PolarHBondContact O-N 2.95Å
366	T	87.9	Confident	85.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	161.9	178	66.5	0	0	0	0	112	C345 A348 S368 G369 Q370 V372 V398	C345-T366 VanDerWaalsContact SG-CG2 3.51Å; A348-T366 CarbonylContact O-C 3.54Å; A348-T366 WeakPolarHBondContact O-CA 3.16Å; T366-S368 PolarHBondContact O-N 2.9Å; T366-S368 PolarHBondContact OG1-OG 2.81Å; T366-G369 PolarHBondContact O-N 3.38Å; T366-Q370 PolarHBondContact N-O 3.33Å; T366-Q370 WeakPolarHBondContact OG1-CB 3.48Å; T366-Q370 PolarHBondContact OG1-N 2.77Å; T366-Q370 VanDerWaalsContact OG1-N 3.11Å; T366-Q370 PolarHBondContact OG1-O 3.2Å; T366-V372 HydrophobicContact CG2-CG1 3.89Å; T366-V372 HydrophobicContact CG2-CG2 4.2Å; T366-V398 PolarHBondContact O-N 2.81Å
367	Y	87.7	Confident	85.6	Confident	135 Å²	135	33.3 Å²	33.3	53%	0.529	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.2	171.5	-176	-94.7	0	0	0	112.5	A348 M350 G369 P397	A348-Y367 PolarHBondContact O-N 3.35Å; M350-Y367 HydrophobicContact CG-CD2 4.41Å; M350-Y367 HydrophobicContact SD-CD2 4.37Å; Y367-G369 PolarHBondContact O-N 2.9Å; Y367-P397 HydrophobicContact CD1-CG 4.37Å; Y367-P397 HydrophobicContact CD2-CB 3.67Å; Y367-P397 HydrophobicContact CD2-CG 3.33Å; Y367-P397 HydrophobicContact CE1-CG 4.29Å; Y367-P397 HydrophobicContact CE2-CB 4.01Å; Y367-P397 HydrophobicContact CE2-CG 3.22Å; Y367-P397 HydrophobicContact CG-CB 4.27Å; Y367-P397 HydrophobicContact CG-CG 3.91Å; Y367-P397 VanDerWaalsContact O-CA 3.26Å; Y367-P397 WeakPolarHBondContact O-CA 3.37Å; Y367-P397 WeakPolarHBondContact O-CG 3.18Å
368	S	85.6	Confident	85.5	Confident	40 Å²	40	34 Å²	34	28%	0.28	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-1.3	176.9	60.4	0	0	0	0	115.3	S347 T366 Q370 L389	S347-S368 PolarHBondContact OG-N 3.29Å; T366-S368 PolarHBondContact O-N 2.9Å; T366-S368 PolarHBondContact OG1-OG 2.81Å; S368-Q370 VanDerWaalsContact C-N 3.33Å; S368-L389 WeakPolarHBondContact O-CD1 3.4Å
369	G	84.6	Confident	84.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	85.4	2.2	-175.7	0	0	0	0	0	114.4	T366 Y367 H396	T366-G369 PolarHBondContact O-N 3.38Å; Y367-G369 PolarHBondContact O-N 2.9Å; G369-H396 VanDerWaalsContact CA-O 3.26Å; G369-H396 WeakPolarHBondContact CA-O 3.24Å
370	Q	86.9	Confident	84.6	Confident	47 Å²	47	41 Å²	41	22%	0.22	19%	0.19	C	C	.	.			trans	-85	144	175.7	-63.7	179	-0.7	0	0	110.3	T366 S368	T366-Q370 PolarHBondContact N-O 3.33Å; T366-Q370 WeakPolarHBondContact OG1-CB 3.48Å; T366-Q370 PolarHBondContact OG1-N 2.77Å; T366-Q370 VanDerWaalsContact OG1-N 3.11Å; T366-Q370 PolarHBondContact OG1-O 3.2Å; S368-Q370 VanDerWaalsContact C-N 3.33Å
371	I	88.6	Confident	84.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.4	168.8	-58.2	170.3	0	0	0	106.8	G364 R386 T387 L401 W424	G364-I371 CarbonylContact O-C 3.59Å; G364-I371 WeakPolarHBondContact O-CA 3.45Å; I371-R386 WeakPolarHBondContact O-CA 3.36Å; I371-T387 HydrophobicContact CB-CG2 3.75Å; I371-T387 PolarHBondContact N-OG1 3.38Å; I371-T387 PolarHBondContact O-N 3.12Å; I371-L401 HydrophobicContact CD1-CD1 4.11Å; I371-L401 HydrophobicContact CG1-CD1 4.45Å; I371-L401 HydrophobicContact CG2-CD1 4.45Å; I371-L401 HydrophobicContact CG2-CD2 4.47Å; I371-W424 HydrophobicContact CD1-CD2 4.11Å; I371-W424 HydrophobicContact CD1-CG 3.98Å; I371-W424 HydrophobicContact CD1-CZ2 4.25Å
372	V	88.3	Confident	84	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.7	-176.9	-63.4	0	0	0	0	109.6	L363 G364 T366 W374 P383 R386	L363-V372 WeakPolarHBondContact CA-O 3.13Å; G364-V372 PolarHBondContact N-O 3.3Å; G364-V372 WeakPolarHBondContact O-CG2 3.31Å; G364-V372 PolarHBondContact O-N 3.26Å; T366-V372 HydrophobicContact CG2-CG1 3.89Å; T366-V372 HydrophobicContact CG2-CG2 4.2Å; V372-W374 HydrophobicContact CB-CZ2 4.27Å; V372-W374 HydrophobicContact CG2-CD2 4.48Å; V372-W374 HydrophobicContact CG2-CE3 4.45Å; V372-W374 HydrophobicContact CG2-CH2 3.31Å; V372-W374 HydrophobicContact CG2-CZ2 3.29Å; V372-W374 HydrophobicContact CG2-CZ3 3.94Å; V372-P383 HydrophobicContact CB-CB 4.08Å; V372-P383 HydrophobicContact CG1-CB 4.44Å; V372-R386 HydrophobicContact CG1-CG 4.01Å
373	L	88.7	Confident	83.7	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	177.6	-177.6	81.3	0	0	0	109.2	L361 L363 I384 Q385 L426 L429	L361-L373 HydrophobicContact CB-CD1 4.37Å; L361-L373 HydrophobicContact CD2-CD1 4.33Å; L361-L373 HydrophobicContact CD2-CD2 4.49Å; L363-L373 HydrophobicContact CD2-CD1 3.37Å; L363-L373 HydrophobicContact CG-CD1 4.17Å; L373-I384 PolarHBondContact O-N 3.24Å; L373-Q385 HydrophobicContact CB-CB 4.19Å; L373-Q385 HydrophobicContact CD2-CB 4.34Å; L373-Q385 PolarHBondContact N-O 2.76Å; L373-L426 HydrophobicContact CD1-CD2 4.39Å; L373-L429 HydrophobicContact CB-CD1 4.2Å; L373-L429 HydrophobicContact CD2-CD1 4.38Å
374	W	88.1	Confident	83.3	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145	171.7	-55.3	-78	0	0	0	110.1	V327 F343 C345 V349 T352 L361 I362 G364 V372 P383	V327-W374 HydrophobicContact CB-CH2 4.15Å; V327-W374 HydrophobicContact CB-CZ3 4.28Å; V327-W374 HydrophobicContact CG1-CZ3 4.37Å; V327-W374 HydrophobicContact CG2-CH2 3.33Å; V327-W374 HydrophobicContact CG2-CZ2 3.96Å; V327-W374 HydrophobicContact CG2-CZ3 3.73Å; F343-W374 HydrophobicContact CB-CD2 4.17Å; F343-W374 HydrophobicContact CB-CG 4.03Å; F343-W374 HydrophobicContact CD1-CB 3.93Å; F343-W374 AromaticContact CD1-CD1 3.69Å; F343-W374 AromaticContact CD1-CG 3.92Å; F343-W374 HydrophobicContact CD1-CG 3.92Å; F343-W374 HydrophobicContact CD2-CB 4.39Å; F343-W374 HydrophobicContact CD2-CG 4.41Å; F343-W374 HydrophobicContact CE1-CB 4.03Å; F343-W374 HydrophobicContact CE2-CB 4.49Å; F343-W374 HydrophobicContact CG-CB 4.11Å; F343-W374 AromaticContact CG-CD1 3.81Å; F343-W374 HydrophobicContact CG-CD2 4.34Å; F343-W374 AromaticContact CG-CG 3.85Å; F343-W374 HydrophobicContact CG-CG 3.85Å; F343-W374 HydrophobicContact CZ-CB 4.31Å; C345-W374 HydrophobicContact CB-CZ2 4.38Å; V349-W374 HydrophobicContact CG1-CH2 4.27Å; V349-W374 HydrophobicContact CG2-CH2 4.08Å; V349-W374 HydrophobicContact CG2-CZ2 4.39Å; T352-W374 HydrophobicContact CG2-CZ3 4.41Å; L361-W374 WeakPolarHBondContact CA-O 3.36Å; I362-W374 HydrophobicContact CB-CB 4.33Å; I362-W374 HydrophobicContact CB-CE3 4.12Å; I362-W374 HydrophobicContact CG2-CE3 3.77Å; I362-W374 HydrophobicContact CG2-CZ3 4.19Å; I362-W374 PolarHBondContact N-O 2.8Å; I362-W374 PolarHBondContact O-N 3.44Å; G364-W374 VanDerWaalsContact CA-CZ3 3.42Å; G364-W374 VanDerWaalsContact N-CZ3 3.34Å; V372-W374 HydrophobicContact CB-CZ2 4.27Å; V372-W374 HydrophobicContact CG2-CD2 4.48Å; V372-W374 HydrophobicContact CG2-CE3 4.45Å; V372-W374 HydrophobicContact CG2-CH2 3.31Å; V372-W374 HydrophobicContact CG2-CZ2 3.29Å; V372-W374 HydrophobicContact CG2-CZ3 3.94Å; W374-P383 VanDerWaalsContact CD1-CA 3.48Å
375	D	87.6	Confident	83	Confident	31 Å²	31	56.1 Å²	56.1	17%	0.166	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.7	170.7	-175.3	-6.1	0	0	0	107.9	N360 L361 R377 V378 I384	N360-D375 WeakPolarHBondContact CB-OD1 3.47Å; N360-D375 CarbonylContact O-C 3.51Å; N360-D375 WeakPolarHBondContact O-CA 3.23Å; L361-D375 HydrophobicContact CD2-CB 3.99Å; D375-R377 VanDerWaalsContact C-N 3.26Å; D375-R377 PolarHBondContact O-N 3.29Å; D375-R377 WeakPolarHBondContact OD1-CB 3.5Å; D375-R377 WeakPolarHBondContact OD1-CG 3.35Å; D375-R377 PolarHBondContact OD1-N 3.35Å; D375-V378 PolarHBondContact O-N 3.46Å; D375-V378 VanDerWaalsContact O-O 3.08Å; D375-I384 HydrophobicContact CB-CD1 3.23Å
376	N	79.8	Confident	82.8	Confident	34 Å²	34	60.2 Å²	60.2	18%	0.182	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.6	177.1	-170.5	-28.4	0	0	0	111.9	D341 N360 V378	D341-N376 PolarHBondContact OD2-ND2 2.54Å; D341-N376 PolarHBondContact OD2-OD1 2.92Å; N360-N376 PolarHBondContact O-N 3.48Å; N376-V378 PolarHBondContact O-N 3.32Å
377	R	80.3	Confident	82.7	Confident	187 Å²	187	60.3 Å²	60.3	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.4	-179.5	-63.4	171.1	176.7	-177.1	1.4	112.8	N360 D375	N360-R377 HydrophobicContact CB-CG 4.01Å; N360-R377 VanDerWaalsContact CG-NE 3.27Å; N360-R377 PolarHBondContact ND2-NE 3Å; N360-R377 VanDerWaalsContact ND2-NE 3.12Å; N360-R377 PolarHBondContact ND2-NH2 2.97Å; D375-R377 VanDerWaalsContact C-N 3.26Å; D375-R377 PolarHBondContact O-N 3.29Å; D375-R377 WeakPolarHBondContact OD1-CB 3.5Å; D375-R377 WeakPolarHBondContact OD1-CG 3.35Å; D375-R377 PolarHBondContact OD1-N 3.35Å
378	V	77.2	Confident	82.2	Confident	56 Å²	56	56.8 Å²	56.8	34%	0.339	27%	0.271	S	S	.	.	S	Bend	trans	-99.4	103.4	179.2	-176.3	0	0	0	0	106.6	D375 N376 K380 I384	D375-V378 PolarHBondContact O-N 3.46Å; D375-V378 VanDerWaalsContact O-O 3.08Å; N376-V378 PolarHBondContact O-N 3.32Å; V378-K380 HydrophobicContact CG1-CB 4Å; V378-K380 HydrophobicContact CG1-CD 3.86Å; V378-K380 HydrophobicContact CG1-CG 3.74Å; V378-K380 PolarHBondContact O-N 3.48Å; V378-I384 HydrophobicContact CB-CD1 4.1Å; V378-I384 HydrophobicContact CG2-CD1 4.32Å
379	Q	67.9	Low	81.6	Confident	101 Å²	101	60 Å²	60	47%	0.472	28%	0.284	S	S	.	.			trans	-71.5	33.4	-179.2	-159.8	139.3	36.2	0	0	113.9
380	K	72.9	Confident	81	Confident	136 Å²	136	62.8 Å²	62.8	59%	0.591	30%	0.304	S	S	*	.			trans	-80.6	123	165.7	-72.6	-178.3	-179.1	-177	0	107.8	V378 T382	V378-K380 HydrophobicContact CG1-CB 4Å; V378-K380 HydrophobicContact CG1-CD 3.86Å; V378-K380 HydrophobicContact CG1-CG 3.74Å; V378-K380 PolarHBondContact O-N 3.48Å; K380-T382 PolarHBondContact O-N 3.28Å
381	R	76.3	Confident	79.9	Confident	136 Å²	136	64.1 Å²	64.1	51%	0.513	32%	0.323	S	S	.	.	S	Bend	trans	-66.2	-21.9	176	-76.8	174.4	176.6	-126.4	3.2	113.2	H344	H344-R381 WeakPolarHBondContact CE1-CD 3.49Å; H344-R381 VanDerWaalsContact CE1-CG 3.48Å; H344-R381 WeakPolarHBondContact CE1-CG 3.2Å; H344-R381 PolarHBondContact CE1-NH1 3.12Å; H344-R381 PolarHBondContact N-O 2.79Å; H344-R381 WeakPolarHBondContact ND1-CB 3.24Å; H344-R381 PolarHBondContact NE2-NH1 2.96Å
382	T	82.1	Confident	78.9	Confident	82 Å²	82	66.2 Å²	66.2	50%	0.503	34%	0.34	S	S	.	.	S	Bend	trans	-87.2	150.6	178.1	55.6	0	0	0	0	111.8	K380	K380-T382 PolarHBondContact O-N 3.28Å
383	P	81.2	Confident	78.4	Confident	14 Å²	14	66.2 Å²	66.2	9%	0.091	34%	0.34	C	S	.	.			trans	-58.2	144.3	173.7	26.5	-37	0	0	0	111.7	H344 V372 W374 R386	H344-P383 WeakPolarHBondContact O-CD 3.44Å; V372-P383 HydrophobicContact CB-CB 4.08Å; V372-P383 HydrophobicContact CG1-CB 4.44Å; W374-P383 VanDerWaalsContact CD1-CA 3.48Å; P383-R386 HydrophobicContact CB-CG 4.43Å; P383-R386 HydrophobicContact CG-CG 4.27Å
384	I	81.3	Confident	78.2	Confident	87 Å²	87	65.4 Å²	65.4	45%	0.446	34%	0.336	S	S	.	.	S	Bend	trans	-82.8	-41.7	-177.5	-63.8	171.6	0	0	0	110	L373 D375 V378	L373-I384 PolarHBondContact O-N 3.24Å; D375-I384 HydrophobicContact CB-CD1 3.23Å; V378-I384 HydrophobicContact CB-CD1 4.1Å; V378-I384 HydrophobicContact CG2-CD1 4.32Å
385	Q	81.3	Confident	78	Confident	73 Å²	73	68.8 Å²	68.8	34%	0.341	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.3	179.9	-167.1	169.9	15	0	0	110.1	L373 L429	L373-Q385 HydrophobicContact CB-CB 4.19Å; L373-Q385 HydrophobicContact CD2-CB 4.34Å; L373-Q385 PolarHBondContact N-O 2.76Å; Q385-L429 HydrophobicContact CG-CB 4.42Å; Q385-L429 HydrophobicContact CG-CD1 4.2Å
386	R	85.1	Confident	77.9	Confident	85 Å²	85	71.8 Å²	71.8	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.6	174.8	-52.9	-169	178.9	170.8	-0.8	109	I371 V372 P383	I371-R386 WeakPolarHBondContact O-CA 3.36Å; V372-R386 HydrophobicContact CG1-CG 4.01Å; P383-R386 HydrophobicContact CB-CG 4.43Å; P383-R386 HydrophobicContact CG-CG 4.27Å
387	T	85.1	Confident	78.3	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.012	37%	0.365	C	S	.	.			trans	-74.7	145.6	170.1	63.8	0	0	0	0	110.1	I371 W424 L429	I371-T387 HydrophobicContact CB-CG2 3.75Å; I371-T387 PolarHBondContact N-OG1 3.38Å; I371-T387 PolarHBondContact O-N 3.12Å; T387-W424 HydrophobicContact CG2-CD2 4.42Å; T387-W424 HydrophobicContact CG2-CE3 3.98Å; T387-W424 HydrophobicContact CG2-CH2 4.07Å; T387-W424 HydrophobicContact CG2-CZ3 3.78Å; T387-L429 HydrophobicContact CG2-CB 4.08Å; T387-L429 HydrophobicContact CG2-CD2 4.28Å; T387-L429 VanDerWaalsContact CG2-O 3.32Å; T387-L429 WeakPolarHBondContact CG2-O 3.31Å
388	P	76.6	Confident	78.7	Confident	62 Å²	62	61.8 Å²	61.8	40%	0.403	33%	0.331	S	S	.	.			trans	-72.1	144.1	174.2	29.3	-32.5	0	0	0	110.7	S390 S430	P388-S390 PolarHBondContact O-N 3.43Å; P388-S390 VanDerWaalsContact O-N 3.13Å; P388-S430 WeakPolarHBondContact CD-O 3.25Å; P388-S430 WeakPolarHBondContact CG-O 3.03Å
389	L	73.8	Confident	79.2	Confident	106 Å²	106	62.8 Å²	62.8	56%	0.555	33%	0.329	S	S	*	.			trans	-74.2	102.2	170.5	-167.9	67.5	0	0	0	108.2	S368 H394	S368-L389 WeakPolarHBondContact O-CD1 3.4Å; L389-H394 VanDerWaalsContact CD1-O 3.22Å; L389-H394 WeakPolarHBondContact CD1-O 3.46Å
390	S	71.4	Confident	79.9	Confident	60 Å²	60	58.8 Å²	58.8	42%	0.42	31%	0.313	S	S	.	.			trans	-132.6	157.1	-179.6	-178.3	0	0	0	0	109.3	P388 A392 A393	P388-S390 PolarHBondContact O-N 3.43Å; P388-S390 VanDerWaalsContact O-N 3.13Å; S390-A392 PolarHBondContact O-N 3.43Å; S390-A393 CarbonylContact O-C 3.6Å; S390-A393 VanDerWaalsContact O-C 3.3Å; S390-A393 VanDerWaalsContact O-CA 3.31Å; S390-A393 WeakPolarHBondContact O-CA 3.46Å; S390-A393 WeakPolarHBondContact O-CB 3.07Å; S390-A393 PolarHBondContact O-N 3.18Å; S390-A393 VanDerWaalsContact O-O 3.07Å
391	A	63.4	Low	80.6	Confident	75 Å²	75	52.8 Å²	52.8	62%	0.62	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.6	178.8	0	0	0	0	0	113.9	A393 K420	A391-A393 VanDerWaalsContact C-N 3.35Å; A391-K420 PolarHBondContact O-NZ 3.16Å
392	A	69.6	Low	81.1	Confident	44 Å²	44	48.6 Å²	48.6	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-24.1	170.4	0	0	0	0	0	112.1	S390 P432 T435	S390-A392 PolarHBondContact O-N 3.43Å; A392-P432 HydrophobicContact CB-CG 3.92Å; A392-P432 WeakPolarHBondContact O-CG 3.46Å; A392-T435 PolarHBondContact O-OG1 2.83Å
393	A	77.1	Confident	81.2	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.008	25%	0.249	C	C	.	.	S	Bend	trans	-91.3	-175.5	172.3	0	0	0	0	0	110.2	S390 A391 W424	S390-A393 CarbonylContact O-C 3.6Å; S390-A393 VanDerWaalsContact O-C 3.3Å; S390-A393 VanDerWaalsContact O-CA 3.31Å; S390-A393 WeakPolarHBondContact O-CA 3.46Å; S390-A393 WeakPolarHBondContact O-CB 3.07Å; S390-A393 PolarHBondContact O-N 3.18Å; S390-A393 VanDerWaalsContact O-O 3.07Å; A391-A393 VanDerWaalsContact C-N 3.35Å; A393-W424 HydrophobicContact CB-CH2 3.67Å; A393-W424 HydrophobicContact CB-CZ2 3.86Å
394	H	83.6	Confident	81.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.			trans	-74.6	138.9	-179.8	-61.3	-50.7	0	0	0	111.7	L389 V398 S414 S416 K420 C422	L389-H394 VanDerWaalsContact CD1-O 3.22Å; L389-H394 WeakPolarHBondContact CD1-O 3.46Å; H394-V398 HydrophobicContact CB-CG2 4.16Å; H394-S414 PolarHBondContact CE1-O 2.98Å; H394-S414 VanDerWaalsContact NE2-CB 3.26Å; H394-S414 WeakPolarHBondContact NE2-CB 3.42Å; H394-S414 PolarHBondContact NE2-O 2.76Å; H394-S414 PolarHBondContact NE2-OG 3.1Å; H394-S416 VanDerWaalsContact CG-CB 3.47Å; H394-S416 WeakPolarHBondContact ND1-CB 3.49Å; H394-K420 PolarHBondContact CE1-O 2.75Å; H394-C422 PolarHBondContact CE1-SG 2.83Å
395	T	83.9	Confident	81.1	Confident	73 Å²	73	41.3 Å²	41.3	45%	0.448	24%	0.237	S	C	.	.	S	Bend	trans	-105.8	-14.2	175.2	56.8	0	0	0	0	112.7	D418	T395-D418 PolarHBondContact N-OD2 3.45Å; T395-D418 VanDerWaalsContact N-OD2 3.13Å; T395-D418 PolarHBondContact OG1-OD2 2.91Å
396	H	86.8	Confident	80.9	Confident	93 Å²	93	41.3 Å²	41.3	43%	0.431	24%	0.242	S	C	.	.	S	Bend	trans	-119.8	172.3	-177	-73	70.4	0	0	0	110.3	G369 S416 D418	G369-H396 VanDerWaalsContact CA-O 3.26Å; G369-H396 WeakPolarHBondContact CA-O 3.24Å; H396-S416 WeakPolarHBondContact CB-OG 3.46Å; H396-S416 PolarHBondContact O-OG 2.73Å; H396-D418 HydrophobicContact CB-CB 4.25Å
397	P	87.6	Confident	80.4	Confident	12 Å²	12	41.8 Å²	41.8	8%	0.078	25%	0.248	C	C	.	.			trans	-58	137.2	-179.5	-26.2	36	0	0	0	113.4	M350 Y367 Y399 S416 S417	M350-P397 HydrophobicContact CG-CB 4.37Å; Y367-P397 HydrophobicContact CD1-CG 4.37Å; Y367-P397 HydrophobicContact CD2-CB 3.67Å; Y367-P397 HydrophobicContact CD2-CG 3.33Å; Y367-P397 HydrophobicContact CE1-CG 4.29Å; Y367-P397 HydrophobicContact CE2-CB 4.01Å; Y367-P397 HydrophobicContact CE2-CG 3.22Å; Y367-P397 HydrophobicContact CG-CB 4.27Å; Y367-P397 HydrophobicContact CG-CG 3.91Å; Y367-P397 VanDerWaalsContact O-CA 3.26Å; Y367-P397 WeakPolarHBondContact O-CA 3.37Å; Y367-P397 WeakPolarHBondContact O-CG 3.18Å; P397-Y399 PolarHBondContact O-N 2.95Å; P397-S416 WeakPolarHBondContact O-CA 3.18Å; P397-S417 PolarHBondContact O-N 2.84Å; P397-S417 PolarHBondContact O-OG 3.21Å
398	V	88.6	Confident	80	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.287	C	S	.	.			trans	-88.8	91.8	177.6	-174.4	0	0	0	0	110.2	M350 S351 T366 H394 C400 I415	M350-V398 WeakPolarHBondContact CB-O 3.36Å; S351-V398 PolarHBondContact OG-O 2.95Å; T366-V398 PolarHBondContact O-N 2.81Å; H394-V398 HydrophobicContact CB-CG2 4.16Å; V398-C400 PolarHBondContact O-N 3.42Å; V398-I415 CarbonylContact C-O 3.3Å; V398-I415 VanDerWaalsContact CA-O 3.29Å; V398-I415 WeakPolarHBondContact CA-O 3.39Å; V398-I415 WeakPolarHBondContact CG1-O 3.43Å
399	Y	86.8	Confident	80	Confident	76 Å²	76	49.2 Å²	49.2	30%	0.298	29%	0.293	S	S	.	.			trans	-67.9	-31.8	-177.8	-74.9	-62.8	0	0	0	114.2	M350 S351 P397 I415 S417 I448 T449	M350-Y399 HydrophobicContact CE-CD1 3.62Å; M350-Y399 HydrophobicContact CE-CE1 3.54Å; S351-Y399 WeakPolarHBondContact CB-O 3.44Å; P397-Y399 PolarHBondContact O-N 2.95Å; Y399-I415 PolarHBondContact N-O 3.47Å; Y399-S417 WeakPolarHBondContact CD2-OG 3.32Å; Y399-S417 WeakPolarHBondContact CE2-OG 3.17Å; Y399-I448 WeakPolarHBondContact CD2-O 3.29Å; Y399-T449 WeakPolarHBondContact CB-O 3.45Å
400	C	83.6	Confident	80.3	Confident	18 Å²	18	45.3 Å²	45.3	12%	0.122	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.2	-178.2	-166.7	0	0	0	0	111.6	V398 I415	V398-C400 PolarHBondContact O-N 3.42Å; C400-I415 PolarHBondContact O-N 3.09Å
401	L	87.6	Confident	81.1	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128	178.9	-170.8	75.7	0	0	0	108	C353 L363 I371 V412 I413	C353-L401 HydrophobicContact CB-CD2 4.47Å; C353-L401 WeakPolarHBondContact CB-O 3.47Å; L363-L401 HydrophobicContact CB-CD2 3.55Å; I371-L401 HydrophobicContact CD1-CD1 4.11Å; I371-L401 HydrophobicContact CG1-CD1 4.45Å; I371-L401 HydrophobicContact CG2-CD1 4.45Å; I371-L401 HydrophobicContact CG2-CD2 4.47Å; L401-V412 HydrophobicContact CD1-CG1 3.45Å; L401-V412 VanDerWaalsContact CD1-CG1 3.45Å; L401-V412 HydrophobicContact CD2-CG1 4.36Å; L401-V412 HydrophobicContact CG-CG1 3.87Å; L401-I413 WeakPolarHBondContact CA-O 2.98Å
402	Q	86.2	Confident	82.2	Confident	48 Å²	48	40.3 Å²	40.3	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136.3	177.8	-164.9	168.1	8.6	0	0	111.7	V404 I413 F453	Q402-V404 HydrophobicContact CG-CG2 4.47Å; Q402-I413 PolarHBondContact N-O 2.88Å; Q402-I413 PolarHBondContact O-N 3.32Å; Q402-F453 HydrophobicContact CB-CD2 4.41Å; Q402-F453 HydrophobicContact CB-CE2 4.14Å; Q402-F453 HydrophobicContact CG-CD2 4.25Å; Q402-F453 HydrophobicContact CG-CE2 4.45Å
403	M	85.4	Confident	83.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	171.8	-176.6	175.4	-78.9	0	0	111.1	A355 K356 F357 L363 H410 V412 L426	A355-M403 HydrophobicContact CB-CE 3.53Å; A355-M403 HydrophobicContact CB-SD 3.95Å; K356-M403 HydrophobicContact CB-SD 4.41Å; K356-M403 WeakPolarHBondContact CE-O 3.4Å; K356-M403 PolarHBondContact N-SD 3.21Å; K356-M403 PolarHBondContact NZ-O 3.23Å; F357-M403 HydrophobicContact CD2-SD 3.82Å; F357-M403 HydrophobicContact CE2-SD 4.34Å; L363-M403 HydrophobicContact CD1-CE 3.84Å; M403-H410 HydrophobicContact SD-CB 4.38Å; M403-V412 HydrophobicContact CE-CG2 3.99Å; M403-L426 HydrophobicContact CE-CD1 3.48Å; M403-L426 VanDerWaalsContact CE-CD1 3.48Å; M403-L426 HydrophobicContact CE-CD2 3.95Å; M403-L426 HydrophobicContact CE-CG 3.94Å
404	V	81.6	Confident	83.6	Confident	8 Å²	8	38.2 Å²	38.2	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	-176.8	174.8	0	0	0	0	110.4	Q402 N411 I413 F453 I458	Q402-V404 HydrophobicContact CG-CG2 4.47Å; V404-N411 PolarHBondContact N-O 3.07Å; V404-N411 PolarHBondContact O-N 3.44Å; V404-I413 HydrophobicContact CB-CD1 3.89Å; V404-I413 HydrophobicContact CG1-CD1 4.27Å; V404-I413 HydrophobicContact CG2-CD1 3.99Å; V404-F453 HydrophobicContact CG1-CD1 4.24Å; V404-F453 HydrophobicContact CG1-CE1 4.34Å; V404-F453 HydrophobicContact CG2-CD1 3.87Å; V404-F453 HydrophobicContact CG2-CD2 3.31Å; V404-F453 HydrophobicContact CG2-CE1 3.88Å; V404-F453 HydrophobicContact CG2-CE2 3.36Å; V404-F453 HydrophobicContact CG2-CG 3.61Å; V404-F453 HydrophobicContact CG2-CZ 3.68Å; V404-I458 HydrophobicContact CG1-CB 4.24Å; V404-I458 HydrophobicContact CG1-CG2 3.37Å
405	G	78.1	Confident	83.7	Confident	23 Å²	23	38.2 Å²	38.2	24%	0.237	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.4	-154.2	175	0	0	0	0	0	111.8	F357 A409	F357-G405 VanDerWaalsContact CZ-O 3.23Å; F357-G405 WeakPolarHBondContact CZ-O 3.39Å; G405-A409 CarbonylContact C-O 3.58Å; G405-A409 VanDerWaalsContact CA-O 3.26Å; G405-A409 WeakPolarHBondContact CA-O 3.44Å
406	T	77.3	Confident	83.9	Confident	73 Å²	73	34.8 Å²	34.8	45%	0.448	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	170.3	175.1	62.6	0	0	0	0	109.3	F357 N408 A409 H410	F357-T406 VanDerWaalsContact CE2-C 3.48Å; F357-T406 WeakPolarHBondContact CE2-O 3.49Å; F357-T406 VanDerWaalsContact CZ-CA 3.47Å; T406-N408 PolarHBondContact O-N 2.79Å; T406-A409 PolarHBondContact N-O 2.9Å; T406-A409 CarbonylContact O-C 3.49Å; T406-A409 PolarHBondContact O-N 2.85Å; T406-A409 VanDerWaalsContact O-N 3.11Å; T406-A409 PolarHBondContact OG1-N 2.98Å; T406-H410 WeakPolarHBondContact O-CB 3.4Å; T406-H410 PolarHBondContact O-N 3.31Å
407	Q	74.6	Confident	83.7	Confident	95 Å²	95	31.5 Å²	31.5	44%	0.444	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-41.8	179	-171.1	72.8	32	0	0	112.9	F357 H410	F357-Q407 VanDerWaalsContact CB-OE1 3.29Å; F357-Q407 HydrophobicContact CD1-CB 4.11Å; F357-Q407 HydrophobicContact CE1-CB 4.49Å; F357-Q407 PolarHBondContact O-NE2 2.8Å; Q407-H410 PolarHBondContact O-ND1 3.42Å; Q407-H410 VanDerWaalsContact O-ND1 3.08Å
408	N	76.4	Confident	83.3	Confident	157 Å²	157	31.8 Å²	31.8	84%	0.84	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-20	-174	-62	-19.3	0	0	0	113.9	T406	T406-N408 PolarHBondContact O-N 2.79Å
409	A	77.1	Confident	82.8	Confident	63 Å²	63	31.9 Å²	31.9	52%	0.521	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	81.6	179.9	0	0	0	0	0	107.7	G405 T406	G405-A409 CarbonylContact C-O 3.58Å; G405-A409 VanDerWaalsContact CA-O 3.26Å; G405-A409 WeakPolarHBondContact CA-O 3.44Å; T406-A409 PolarHBondContact N-O 2.9Å; T406-A409 CarbonylContact O-C 3.49Å; T406-A409 PolarHBondContact O-N 2.85Å; T406-A409 VanDerWaalsContact O-N 3.11Å; T406-A409 PolarHBondContact OG1-N 2.98Å
410	H	80.8	Confident	82.6	Confident	24 Å²	24	30 Å²	30	11%	0.111	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.8	-179.8	56.6	-90.2	0	0	0	109.2	F357 M403 T406 Q407 L426	F357-H410 HydrophobicContact CD2-CB 3.57Å; F357-H410 HydrophobicContact CE2-CB 3.68Å; M403-H410 HydrophobicContact SD-CB 4.38Å; T406-H410 WeakPolarHBondContact O-CB 3.4Å; T406-H410 PolarHBondContact O-N 3.31Å; Q407-H410 PolarHBondContact O-ND1 3.42Å; Q407-H410 VanDerWaalsContact O-ND1 3.08Å; H410-L426 WeakPolarHBondContact CD2-CD1 3.48Å; H410-L426 VanDerWaalsContact CD2-CG 3.42Å; H410-L426 WeakPolarHBondContact CD2-CG 3.43Å; H410-L426 WeakPolarHBondContact NE2-CB 3.43Å; H410-L426 WeakPolarHBondContact NE2-CD1 3.35Å; H410-L426 WeakPolarHBondContact NE2-CG 3.36Å
411	N	86.4	Confident	82.7	Confident	29 Å²	29	29.3 Å²	29.3	16%	0.155	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.8	175.9	-66.6	-7.2	0	0	0	108.5	V404 S423 W424	V404-N411 PolarHBondContact N-O 3.07Å; V404-N411 PolarHBondContact O-N 3.44Å; N411-S423 WeakPolarHBondContact CB-OG 3.45Å; N411-S423 PolarHBondContact ND2-OG 3.4Å; N411-W424 CarbonylContact C-O 3.58Å; N411-W424 VanDerWaalsContact CA-O 3.25Å; N411-W424 WeakPolarHBondContact CA-O 3.29Å
412	V	87.4	Confident	82.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.7	171.1	-179.9	0	0	0	0	107.1	L363 L401 M403 S423 W424 L426	L363-V412 HydrophobicContact CD1-CB 4.37Å; L363-V412 HydrophobicContact CD1-CG1 3.98Å; L363-V412 HydrophobicContact CD1-CG2 3.43Å; L363-V412 VanDerWaalsContact CD1-CG2 3.43Å; L363-V412 HydrophobicContact CD2-CG2 4.4Å; L401-V412 HydrophobicContact CD1-CG1 3.45Å; L401-V412 VanDerWaalsContact CD1-CG1 3.45Å; L401-V412 HydrophobicContact CD2-CG1 4.36Å; L401-V412 HydrophobicContact CG-CG1 3.87Å; M403-V412 HydrophobicContact CE-CG2 3.99Å; V412-S423 CarbonylContact O-C 3.55Å; V412-S423 WeakPolarHBondContact O-CA 3.48Å; V412-W424 HydrophobicContact CB-CB 4.24Å; V412-W424 PolarHBondContact N-O 2.85Å; V412-W424 PolarHBondContact O-N 3.12Å; V412-L426 HydrophobicContact CG2-CD2 3.65Å; V412-L426 HydrophobicContact CG2-CG 4.29Å
413	I	87.6	Confident	82.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.5	177.3	-60.8	169	0	0	0	107.6	L401 Q402 V404 L421 M451 F453	L401-I413 WeakPolarHBondContact CA-O 2.98Å; Q402-I413 PolarHBondContact N-O 2.88Å; Q402-I413 PolarHBondContact O-N 3.32Å; V404-I413 HydrophobicContact CB-CD1 3.89Å; V404-I413 HydrophobicContact CG1-CD1 4.27Å; V404-I413 HydrophobicContact CG2-CD1 3.99Å; I413-L421 HydrophobicContact CG2-CD1 4.07Å; I413-L421 HydrophobicContact CG2-CD2 3.75Å; I413-L421 HydrophobicContact CG2-CG 3.74Å; I413-M451 HydrophobicContact CG2-CE 3.67Å; I413-M451 HydrophobicContact CG2-SD 3.91Å; I413-F453 HydrophobicContact CB-CE2 4.43Å; I413-F453 HydrophobicContact CB-CZ 4.03Å; I413-F453 HydrophobicContact CD1-CE1 3.53Å; I413-F453 HydrophobicContact CD1-CE2 4.12Å; I413-F453 HydrophobicContact CD1-CZ 3.19Å; I413-F453 HydrophobicContact CG1-CZ 4.19Å; I413-F453 HydrophobicContact CG2-CZ 4.03Å
414	S	87.6	Confident	82.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.4	-175.5	54	0	0	0	0	108.8	H394 C422 W424	H394-S414 PolarHBondContact CE1-O 2.98Å; H394-S414 VanDerWaalsContact NE2-CB 3.26Å; H394-S414 WeakPolarHBondContact NE2-CB 3.42Å; H394-S414 PolarHBondContact NE2-O 2.76Å; H394-S414 PolarHBondContact NE2-OG 3.1Å; S414-C422 PolarHBondContact N-O 3.47Å; S414-C422 PolarHBondContact O-N 2.86Å; S414-C422 PolarHBondContact OG-O 3.06Å; S414-W424 VanDerWaalsContact OG-CD1 3.23Å; S414-W424 PolarHBondContact OG-NE1 2.87Å
415	I	86.8	Confident	83	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.4	175.8	-62.1	161.4	0	0	0	110.1	V398 Y399 C400 L421 I448 M451 M463	V398-I415 CarbonylContact C-O 3.3Å; V398-I415 VanDerWaalsContact CA-O 3.29Å; V398-I415 WeakPolarHBondContact CA-O 3.39Å; V398-I415 WeakPolarHBondContact CG1-O 3.43Å; Y399-I415 PolarHBondContact N-O 3.47Å; C400-I415 PolarHBondContact O-N 3.09Å; I415-L421 HydrophobicContact CG1-CG 4.46Å; I415-I448 HydrophobicContact CD1-CG2 3.94Å; I415-I448 HydrophobicContact CG2-CB 3.54Å; I415-I448 HydrophobicContact CG2-CD1 4.12Å; I415-I448 HydrophobicContact CG2-CG1 4.46Å; I415-I448 HydrophobicContact CG2-CG2 3.57Å; I415-M451 HydrophobicContact CD1-CB 3.16Å; I415-M451 HydrophobicContact CD1-CE 3.12Å; I415-M451 HydrophobicContact CD1-CG 3.72Å; I415-M451 HydrophobicContact CD1-SD 3.39Å; I415-M451 WeakPolarHBondContact CD1-SD 3.48Å; I415-M451 HydrophobicContact CG1-CE 3.5Å; I415-M451 VanDerWaalsContact CG1-CE 3.5Å; I415-M451 HydrophobicContact CG1-SD 4.01Å; I415-M463 HydrophobicContact CD1-CG 4.24Å; I415-M463 HydrophobicContact CD1-SD 4.4Å
416	S	86.9	Confident	83	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.			trans	-122.6	160.6	-179.9	157.5	0	0	0	0	110.9	H394 H396 P397 D418 G419 K420	H394-S416 VanDerWaalsContact CG-CB 3.47Å; H394-S416 WeakPolarHBondContact ND1-CB 3.49Å; H396-S416 WeakPolarHBondContact CB-OG 3.46Å; H396-S416 PolarHBondContact O-OG 2.73Å; P397-S416 WeakPolarHBondContact O-CA 3.18Å; S416-D418 WeakPolarHBondContact CB-OD1 3.31Å; S416-D418 PolarHBondContact O-N 2.91Å; S416-D418 VanDerWaalsContact O-N 3.16Å; S416-D418 PolarHBondContact OG-N 2.83Å; S416-D418 PolarHBondContact OG-OD1 2.64Å; S416-D418 PolarHBondContact OG-OD2 3.24Å; S416-G419 PolarHBondContact O-N 3.38Å; S416-K420 PolarHBondContact N-O 3.48Å
417	S	82.5	Confident	83.1	Confident	24 Å²	24	30 Å²	30	17%	0.168	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.1	176.6	-26.6	0	0	0	0	113.6	P397 Y399 G419 A447	P397-S417 PolarHBondContact O-N 2.84Å; P397-S417 PolarHBondContact O-OG 3.21Å; Y399-S417 WeakPolarHBondContact CD2-OG 3.32Å; Y399-S417 WeakPolarHBondContact CE2-OG 3.17Å; S417-G419 PolarHBondContact O-N 3.27Å; S417-A447 WeakPolarHBondContact O-CA 3.42Å; S417-A447 WeakPolarHBondContact O-CB 3.33Å
418	D	80.2	Confident	83.2	Confident	19 Å²	19	30.5 Å²	30.5	10%	0.102	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	3.1	174.1	58.2	10.7	0	0	0	113.8	T395 H396 S416 K420 A445	T395-D418 PolarHBondContact N-OD2 3.45Å; T395-D418 VanDerWaalsContact N-OD2 3.13Å; T395-D418 PolarHBondContact OG1-OD2 2.91Å; H396-D418 HydrophobicContact CB-CB 4.25Å; S416-D418 WeakPolarHBondContact CB-OD1 3.31Å; S416-D418 PolarHBondContact O-N 2.91Å; S416-D418 VanDerWaalsContact O-N 3.16Å; S416-D418 PolarHBondContact OG-N 2.83Å; S416-D418 PolarHBondContact OG-OD1 2.64Å; S416-D418 PolarHBondContact OG-OD2 3.24Å; D418-K420 PolarHBondContact O-N 2.95Å; D418-K420 WeakPolarHBondContact OD1-CB 3.11Å; D418-K420 PolarHBondContact OD1-N 3.06Å; D418-A445 WeakPolarHBondContact O-CB 3.35Å
419	G	78.3	Confident	83.1	Confident	2 Å²	2	23 Å²	23	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	70.7	21	179.6	0	0	0	0	0	113.5	S416 S417 L438 I446	S416-G419 PolarHBondContact O-N 3.38Å; S417-G419 PolarHBondContact O-N 3.27Å; G419-L438 VanDerWaalsContact O-CB 3.31Å; G419-L438 WeakPolarHBondContact O-CB 3.46Å; G419-L438 PolarHBondContact O-N 3.26Å; G419-I446 WeakPolarHBondContact CA-O 3.24Å; G419-I446 PolarHBondContact N-O 3.02Å
420	K	83.4	Confident	83.1	Confident	37 Å²	37	23.2 Å²	23.2	16%	0.161	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.9	172.1	-55.3	-166.8	-172.7	-160.2	0	110.1	A391 H394 S416 D418 T435 L436 E437	A391-K420 PolarHBondContact O-NZ 3.16Å; H394-K420 PolarHBondContact CE1-O 2.75Å; S416-K420 PolarHBondContact N-O 3.48Å; D418-K420 PolarHBondContact O-N 2.95Å; D418-K420 WeakPolarHBondContact OD1-CB 3.11Å; D418-K420 PolarHBondContact OD1-N 3.06Å; K420-T435 HydrophobicContact CD-CG2 4.25Å; K420-L436 WeakPolarHBondContact CA-O 3.29Å; K420-E437 HydrophobicContact CD-CG 4.13Å; K420-E437 WeakPolarHBondContact CE-OE1 3.41Å; K420-E437 HydrophobicContact CG-CG 4.1Å; K420-E437 IonicContact NZ-OE1 2.71Å; K420-E437 PolarHBondContact NZ-OE1 3.09Å
421	L	85.4	Confident	83	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.9	168	-178.7	158.5	0	0	0	107.7	I413 I415 L436 L438 M451 L461 M463	I413-L421 HydrophobicContact CG2-CD1 4.07Å; I413-L421 HydrophobicContact CG2-CD2 3.75Å; I413-L421 HydrophobicContact CG2-CG 3.74Å; I415-L421 HydrophobicContact CG1-CG 4.46Å; L421-L436 HydrophobicContact CB-CB 4.32Å; L421-L436 HydrophobicContact CD2-CB 4.48Å; L421-L436 PolarHBondContact N-O 2.68Å; L421-L436 PolarHBondContact O-N 2.95Å; L421-L438 HydrophobicContact CB-CD1 4.19Å; L421-M451 HydrophobicContact CD1-CE 3.27Å; L421-M451 HydrophobicContact CG-CE 4.09Å; L421-L461 HydrophobicContact CD1-CD1 3.91Å; L421-L461 HydrophobicContact CD1-CD2 3.45Å; L421-L461 VanDerWaalsContact CD1-CD2 3.45Å; L421-L461 HydrophobicContact CD1-CG 4.34Å; L421-M463 HydrophobicContact CD1-SD 4.12Å
422	C	85.9	Confident	82.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	178.2	-63.9	0	0	0	0	109.9	H394 S414 W424 P432 D434	H394-C422 PolarHBondContact CE1-SG 2.83Å; S414-C422 PolarHBondContact N-O 3.47Å; S414-C422 PolarHBondContact O-N 2.86Å; S414-C422 PolarHBondContact OG-O 3.06Å; C422-W424 HydrophobicContact CB-CZ2 4.24Å; C422-W424 VanDerWaalsContact CB-NE1 3.35Å; C422-P432 HydrophobicContact CB-CB 4.39Å; C422-D434 CarbonylContact C-O 3.54Å; C422-D434 WeakPolarHBondContact CA-O 3.36Å
423	S	87	Confident	82	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.5	170.8	-178.2	0	0	0	0	109.4	N411 V412 Q433 D434	N411-S423 WeakPolarHBondContact CB-OG 3.45Å; N411-S423 PolarHBondContact ND2-OG 3.4Å; V412-S423 CarbonylContact O-C 3.55Å; V412-S423 WeakPolarHBondContact O-CA 3.48Å; S423-Q433 PolarHBondContact O-N 3.45Å; S423-D434 PolarHBondContact N-O 2.88Å; S423-D434 PolarHBondContact O-N 3.43Å
424	W	86.9	Confident	81.6	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.7	-178.9	-57	87.4	0	0	0	110.1	I371 T387 A393 N411 V412 S414 C422 L429 Q431 P432	I371-W424 HydrophobicContact CD1-CD2 4.11Å; I371-W424 HydrophobicContact CD1-CG 3.98Å; I371-W424 HydrophobicContact CD1-CZ2 4.25Å; T387-W424 HydrophobicContact CG2-CD2 4.42Å; T387-W424 HydrophobicContact CG2-CE3 3.98Å; T387-W424 HydrophobicContact CG2-CH2 4.07Å; T387-W424 HydrophobicContact CG2-CZ3 3.78Å; A393-W424 HydrophobicContact CB-CH2 3.67Å; A393-W424 HydrophobicContact CB-CZ2 3.86Å; N411-W424 CarbonylContact C-O 3.58Å; N411-W424 VanDerWaalsContact CA-O 3.25Å; N411-W424 WeakPolarHBondContact CA-O 3.29Å; V412-W424 HydrophobicContact CB-CB 4.24Å; V412-W424 PolarHBondContact N-O 2.85Å; V412-W424 PolarHBondContact O-N 3.12Å; S414-W424 VanDerWaalsContact OG-CD1 3.23Å; S414-W424 PolarHBondContact OG-NE1 2.87Å; C422-W424 HydrophobicContact CB-CZ2 4.24Å; C422-W424 VanDerWaalsContact CB-NE1 3.35Å; W424-L429 HydrophobicContact CB-CD2 4.06Å; W424-Q431 VanDerWaalsContact CZ3-C 3.42Å; W424-P432 HydrophobicContact CD2-CB 4.17Å; W424-P432 HydrophobicContact CE3-CB 4.09Å; W424-P432 HydrophobicContact CH2-CB 3.86Å; W424-P432 HydrophobicContact CH2-CG 4.04Å; W424-P432 HydrophobicContact CZ2-CB 3.92Å; W424-P432 HydrophobicContact CZ2-CG 4.39Å; W424-P432 HydrophobicContact CZ3-CB 3.96Å; W424-P432 HydrophobicContact CZ3-CG 4.32Å
425	S	85.8	Confident	81.4	Confident	10 Å²	10	39 Å²	39	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.8	165.1	52	0	0	0	0	110.2	D427 M428 L429 Q433	S425-D427 VanDerWaalsContact C-N 3.27Å; S425-D427 PolarHBondContact O-N 3.07Å; S425-M428 CarbonylContact O-C 3.52Å; S425-M428 VanDerWaalsContact O-C 3.3Å; S425-M428 PolarHBondContact O-N 3.06Å; S425-M428 VanDerWaalsContact O-O 3.13Å; S425-M428 WeakPolarHBondContact OG-CB 3.33Å; S425-M428 PolarHBondContact OG-N 3.22Å; S425-M428 PolarHBondContact OG-O 3.47Å; S425-L429 WeakPolarHBondContact O-CD2 3.27Å; S425-Q433 VanDerWaalsContact CB-NE2 3.28Å; S425-Q433 PolarHBondContact OG-NE2 3.02Å
426	L	78.1	Confident	81	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.068	22%	0.215	C	C	.	.	S	Bend	trans	-62.4	-35.1	176.8	-70.9	-176.9	0	0	0	112.8	L361 L363 L373 M403 H410 V412	L361-L426 HydrophobicContact CD1-CD1 4.28Å; L363-L426 HydrophobicContact CD1-CD2 4.1Å; L363-L426 HydrophobicContact CD2-CD2 3.78Å; L363-L426 HydrophobicContact CG-CD2 4.41Å; L373-L426 HydrophobicContact CD1-CD2 4.39Å; M403-L426 HydrophobicContact CE-CD1 3.48Å; M403-L426 VanDerWaalsContact CE-CD1 3.48Å; M403-L426 HydrophobicContact CE-CD2 3.95Å; M403-L426 HydrophobicContact CE-CG 3.94Å; H410-L426 WeakPolarHBondContact CD2-CD1 3.48Å; H410-L426 VanDerWaalsContact CD2-CG 3.42Å; H410-L426 WeakPolarHBondContact CD2-CG 3.43Å; H410-L426 WeakPolarHBondContact NE2-CB 3.43Å; H410-L426 WeakPolarHBondContact NE2-CD1 3.35Å; H410-L426 WeakPolarHBondContact NE2-CG 3.36Å; V412-L426 HydrophobicContact CG2-CD2 3.65Å; V412-L426 HydrophobicContact CG2-CG 4.29Å
427	D	79.1	Confident	80.5	Confident	151 Å²	151	44.4 Å²	44.4	81%	0.807	23%	0.234	S	C	*	.	S	Bend	trans	-74.4	-30.6	-177.1	-62	-36.5	0	0	0	112.5	S425	S425-D427 VanDerWaalsContact C-N 3.27Å; S425-D427 PolarHBondContact O-N 3.07Å
428	M	77.9	Confident	80.1	Confident	105 Å²	105	43.3 Å²	43.3	52%	0.517	23%	0.227	S	C	.	.			trans	-126	87.3	179.6	-169.8	176.8	-63.4	0	0	110	S425	S425-M428 CarbonylContact O-C 3.52Å; S425-M428 VanDerWaalsContact O-C 3.3Å; S425-M428 PolarHBondContact O-N 3.06Å; S425-M428 VanDerWaalsContact O-O 3.13Å; S425-M428 WeakPolarHBondContact OG-CB 3.33Å; S425-M428 PolarHBondContact OG-N 3.22Å; S425-M428 PolarHBondContact OG-O 3.47Å
429	L	75.1	Confident	79.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.245	C	C	.	.			trans	-91.9	-1.5	174.2	-70.3	176.9	0	0	0	113	L373 Q385 T387 W424 S425 Q431	L373-L429 HydrophobicContact CB-CD1 4.2Å; L373-L429 HydrophobicContact CD2-CD1 4.38Å; Q385-L429 HydrophobicContact CG-CB 4.42Å; Q385-L429 HydrophobicContact CG-CD1 4.2Å; T387-L429 HydrophobicContact CG2-CB 4.08Å; T387-L429 HydrophobicContact CG2-CD2 4.28Å; T387-L429 VanDerWaalsContact CG2-O 3.32Å; T387-L429 WeakPolarHBondContact CG2-O 3.31Å; W424-L429 HydrophobicContact CB-CD2 4.06Å; S425-L429 WeakPolarHBondContact O-CD2 3.27Å; L429-Q431 VanDerWaalsContact C-N 3.33Å
430	S	76.1	Confident	78.7	Confident	67 Å²	67	51.4 Å²	51.4	47%	0.469	26%	0.263	S	S	.	.	S	Bend	trans	-72.6	-27.5	179.1	54.9	0	0	0	0	113	P388	P388-S430 WeakPolarHBondContact CD-O 3.25Å; P388-S430 WeakPolarHBondContact CG-O 3.03Å
431	Q	78.3	Confident	77.5	Confident	132 Å²	132	61.8 Å²	61.8	62%	0.617	30%	0.302	S	S	*	.	S	Bend	trans	-139.9	142.5	178	-68.7	-177.7	-8.5	0	0	109.7	W424 L429	W424-Q431 VanDerWaalsContact CZ3-C 3.42Å; L429-Q431 VanDerWaalsContact C-N 3.33Å
432	P	77.8	Confident	76	Confident	23 Å²	23	69.3 Å²	69.3	15%	0.149	34%	0.337	C	S	.	.			trans	-67.4	139.4	170.4	27.4	-29.7	0	0	0	109.1	A392 C422 W424	A392-P432 HydrophobicContact CB-CG 3.92Å; A392-P432 WeakPolarHBondContact O-CG 3.46Å; C422-P432 HydrophobicContact CB-CB 4.39Å; W424-P432 HydrophobicContact CD2-CB 4.17Å; W424-P432 HydrophobicContact CE3-CB 4.09Å; W424-P432 HydrophobicContact CH2-CB 3.86Å; W424-P432 HydrophobicContact CH2-CG 4.04Å; W424-P432 HydrophobicContact CZ2-CB 3.92Å; W424-P432 HydrophobicContact CZ2-CG 4.39Å; W424-P432 HydrophobicContact CZ3-CB 3.96Å; W424-P432 HydrophobicContact CZ3-CG 4.32Å
433	Q	75.8	Confident	74.6	Confident	103 Å²	103	74.4 Å²	74.4	48%	0.481	37%	0.373	S	S	.	.	S	Bend	trans	-75	-47.7	176.9	-75.4	-165.8	-15.3	0	0	110.9	S423 S425	S423-Q433 PolarHBondContact O-N 3.45Å; S425-Q433 VanDerWaalsContact CB-NE2 3.28Å; S425-Q433 PolarHBondContact OG-NE2 3.02Å
434	D	78.8	Confident	73.8	Confident	71 Å²	71	80.8 Å²	80.8	38%	0.38	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.9	175.8	-60.9	-47.3	0	0	0	109	C422 S423	C422-D434 CarbonylContact C-O 3.54Å; C422-D434 WeakPolarHBondContact CA-O 3.36Å; S423-D434 PolarHBondContact N-O 2.88Å; S423-D434 PolarHBondContact O-N 3.43Å
435	T	82.4	Confident	72.8	Confident	56 Å²	56	83.5 Å²	83.5	34%	0.344	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.5	168.9	-56.1	0	0	0	0	107.5	A392 K420	A392-T435 PolarHBondContact O-OG1 2.83Å; K420-T435 HydrophobicContact CD-CG2 4.25Å
436	L	79	Confident	72.5	Confident	25 Å²	25	83.2 Å²	83.2	13%	0.131	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.4	176.8	-177.6	66	0	0	0	108.6	K420 L421 L438 S480	K420-L436 WeakPolarHBondContact CA-O 3.29Å; L421-L436 HydrophobicContact CB-CB 4.32Å; L421-L436 HydrophobicContact CD2-CB 4.48Å; L421-L436 PolarHBondContact N-O 2.68Å; L421-L436 PolarHBondContact O-N 2.95Å; L436-L438 HydrophobicContact CD2-CD2 3.82Å; L436-L438 HydrophobicContact CG-CD2 4.06Å; L436-S480 WeakPolarHBondContact CD1-OG 3.46Å
437	E	77.1	Confident	72.5	Confident	89 Å²	89	83.5 Å²	83.5	42%	0.416	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.1	171.4	-58.6	-165.3	165.6	0	0	109.4	K420 Q439	K420-E437 HydrophobicContact CD-CG 4.13Å; K420-E437 WeakPolarHBondContact CE-OE1 3.41Å; K420-E437 HydrophobicContact CG-CG 4.1Å; K420-E437 IonicContact NZ-OE1 2.71Å; K420-E437 PolarHBondContact NZ-OE1 3.09Å; E437-Q439 HydrophobicContact CB-CG 4.38Å; E437-Q439 PolarHBondContact O-N 3.29Å; E437-Q439 VanDerWaalsContact O-N 3.17Å; E437-Q439 PolarHBondContact OE2-NE2 3.06Å
438	L	72.7	Confident	72.7	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.01	39%	0.387	C	S	.	.			trans	-88.9	88.6	-178.9	-59.7	164.9	0	0	0	107.9	G419 L421 L436 I448 M463 A473 V482	G419-L438 VanDerWaalsContact O-CB 3.31Å; G419-L438 WeakPolarHBondContact O-CB 3.46Å; G419-L438 PolarHBondContact O-N 3.26Å; L421-L438 HydrophobicContact CB-CD1 4.19Å; L436-L438 HydrophobicContact CD2-CD2 3.82Å; L436-L438 HydrophobicContact CG-CD2 4.06Å; L438-I448 HydrophobicContact CB-CD1 4.5Å; L438-I448 HydrophobicContact CD1-CD1 3.19Å; L438-I448 HydrophobicContact CG-CD1 4.45Å; L438-M463 HydrophobicContact CD1-CE 3.43Å; L438-M463 VanDerWaalsContact CD1-CE 3.43Å; L438-M463 HydrophobicContact CD1-SD 3.33Å; L438-M463 WeakPolarHBondContact CD1-SD 3.44Å; L438-M463 HydrophobicContact CD2-CE 3.88Å; L438-M463 HydrophobicContact CG-CE 4.26Å; L438-A473 HydrophobicContact CD2-CB 4.1Å; L438-V482 HydrophobicContact CB-CG2 4.18Å; L438-V482 HydrophobicContact CD2-CG2 3.84Å
439	Q	67.1	Low	72.9	Confident	103 Å²	103	72.7 Å²	72.7	48%	0.481	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-104.1	128.1	175.4	-60.6	-174.8	10.2	0	0	109.3	E437	E437-Q439 HydrophobicContact CB-CG 4.38Å; E437-Q439 PolarHBondContact O-N 3.29Å; E437-Q439 VanDerWaalsContact O-N 3.17Å; E437-Q439 PolarHBondContact OE2-NE2 3.06Å
440	Q	62.5	Low	73.2	Confident	87 Å²	87	73 Å²	73	41%	0.407	37%	0.372	S	S	.	.			trans	-74.1	168.9	164.3	-157	169.1	7.3	0	0	109.2	Q442 I446	Q440-Q442 CarbonylContact O-C 3.31Å; Q440-Q442 VanDerWaalsContact O-C 3.31Å; Q440-Q442 PolarHBondContact O-N 2.89Å; Q440-Q442 VanDerWaalsContact O-O 3.07Å; Q440-I446 HydrophobicContact CB-CD1 4.28Å
441	R	58.8	Low	73.7	Confident	256 Å²	256	70.1 Å²	70.1	97%	0.966	35%	0.351	S	S	*	.	S	Bend	trans	-49.2	-8.9	174.5	-71.2	-177	175.7	-171.3	-0.2	115.5
442	Q	53.5	Low	74	Confident	160 Å²	160	64.1 Å²	64.1	75%	0.748	32%	0.324	S	S	*	.	S	Bend	trans	-120.7	126.3	167.6	-64.2	177.2	3.4	0	0	107.6	Q440 K444	Q440-Q442 CarbonylContact O-C 3.31Å; Q440-Q442 VanDerWaalsContact O-C 3.31Å; Q440-Q442 PolarHBondContact O-N 2.89Å; Q440-Q442 VanDerWaalsContact O-O 3.07Å; Q442-K444 PolarHBondContact O-N 3.07Å
443	S	56.3	Low	74.2	Confident	108 Å²	108	63.7 Å²	63.7	76%	0.755	32%	0.32	S	S	*	.	S	Bend	trans	-53	22.4	-170.9	-172.9	0	0	0	0	118.4
444	K	70.3	Confident	74.2	Confident	133 Å²	133	59 Å²	59	58%	0.578	30%	0.299	S	S	*	.			trans	-86.1	129.4	174.8	-166.6	-172.8	173.4	-152.7	0	109.2	Q442 D467	Q442-K444 PolarHBondContact O-N 3.07Å; K444-D467 IonicContact NZ-OD1 3.79Å; K444-D467 IonicContact NZ-OD2 3.71Å; K444-D467 PolarHBondContact NZ-OD2 3.48Å
445	A	67	Low	73.6	Confident	58 Å²	58	58 Å²	58	48%	0.479	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-64.4	132.4	170.5	0	0	0	0	0	109.9	D418	D418-A445 WeakPolarHBondContact O-CB 3.35Å
446	I	77.9	Confident	72.7	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	31%	0.311	C	S	.	.			trans	-89.9	114.6	179.1	-62.5	165.9	0	0	0	107.9	G419 Q440 I448 S465 Y471	G419-I446 WeakPolarHBondContact CA-O 3.24Å; G419-I446 PolarHBondContact N-O 3.02Å; Q440-I446 HydrophobicContact CB-CD1 4.28Å; I446-I448 HydrophobicContact CG2-CG1 4.03Å; I446-I448 PolarHBondContact O-N 2.89Å; I446-S465 WeakPolarHBondContact CG2-OG 3.41Å; I446-Y471 HydrophobicContact CD1-CD2 4.46Å; I446-Y471 HydrophobicContact CD1-CE1 4.09Å; I446-Y471 HydrophobicContact CD1-CE2 3.85Å; I446-Y471 HydrophobicContact CG1-CE2 4.39Å; I446-Y471 HydrophobicContact CG2-CD2 4.03Å; I446-Y471 HydrophobicContact CG2-CE2 3.44Å; I446-Y471 VanDerWaalsContact CG2-CE2 3.44Å
447	A	80	Confident	72.3	Confident	19 Å²	19	64 Å²	64	16%	0.157	33%	0.327	C	S	.	.			trans	-72.8	123.8	171.4	0	0	0	0	0	109.6	S417 S465 E466	S417-A447 WeakPolarHBondContact O-CA 3.42Å; S417-A447 WeakPolarHBondContact O-CB 3.33Å; A447-S465 VanDerWaalsContact O-CA 3.28Å; A447-S465 WeakPolarHBondContact O-CA 3.1Å; A447-S465 PolarHBondContact O-OG 2.89Å; A447-E466 HydrophobicContact CB-CB 4.17Å; A447-E466 PolarHBondContact O-N 2.85Å
448	I	82.9	Confident	72.2	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.2	-177.8	-64.3	155.4	0	0	0	108.8	Y399 I415 L438 I446 M463 G464	Y399-I448 WeakPolarHBondContact CD2-O 3.29Å; I415-I448 HydrophobicContact CD1-CG2 3.94Å; I415-I448 HydrophobicContact CG2-CB 3.54Å; I415-I448 HydrophobicContact CG2-CD1 4.12Å; I415-I448 HydrophobicContact CG2-CG1 4.46Å; I415-I448 HydrophobicContact CG2-CG2 3.57Å; L438-I448 HydrophobicContact CB-CD1 4.5Å; L438-I448 HydrophobicContact CD1-CD1 3.19Å; L438-I448 HydrophobicContact CG-CD1 4.45Å; I446-I448 HydrophobicContact CG2-CG1 4.03Å; I446-I448 PolarHBondContact O-N 2.89Å; I448-M463 HydrophobicContact CD1-CB 4.47Å; I448-M463 HydrophobicContact CD1-CE 4.38Å; I448-M463 HydrophobicContact CD1-SD 3.74Å; I448-M463 HydrophobicContact CG2-CB 3.91Å; I448-M463 HydrophobicContact CG2-CG 4.27Å; I448-G464 CarbonylContact C-O 3.45Å; I448-G464 VanDerWaalsContact CA-O 3.29Å; I448-G464 WeakPolarHBondContact CA-O 3.12Å; I448-G464 VanDerWaalsContact CG2-O 3.31Å; I448-G464 WeakPolarHBondContact CG2-O 3.25Å
449	T	82.1	Confident	72.5	Confident	28 Å²	28	66.5 Å²	66.5	17%	0.172	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-40.3	-174.6	51.1	0	0	0	0	111.9	Y399 G464 E466 I493	Y399-T449 WeakPolarHBondContact CB-O 3.45Å; T449-G464 PolarHBondContact N-O 3Å; T449-G464 PolarHBondContact OG1-O 3.48Å; T449-E466 HydrophobicContact CG2-CB 4.11Å; T449-I493 VanDerWaalsContact CB-O 3.29Å; T449-I493 WeakPolarHBondContact CB-O 2.96Å; T449-I493 PolarHBondContact OG1-O 3.33Å
450	S	81.9	Confident	73.2	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.9	-175.2	-169.2	0	0	0	0	112.2	M463 G464 I496	S450-M463 WeakPolarHBondContact O-CA 3.36Å; S450-G464 PolarHBondContact O-N 3.35Å; S450-I496 PolarHBondContact OG-N 3.33Å
451	M	86.7	Confident	74.2	Confident	7 Å²	7	58 Å²	58	3%	0.034	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.4	178.4	161.7	-166	-93.7	0	0	110.5	I413 I415 L421 F453 L461 V462 M463	I413-M451 HydrophobicContact CG2-CE 3.67Å; I413-M451 HydrophobicContact CG2-SD 3.91Å; I415-M451 HydrophobicContact CD1-CB 3.16Å; I415-M451 HydrophobicContact CD1-CE 3.12Å; I415-M451 HydrophobicContact CD1-CG 3.72Å; I415-M451 HydrophobicContact CD1-SD 3.39Å; I415-M451 WeakPolarHBondContact CD1-SD 3.48Å; I415-M451 HydrophobicContact CG1-CE 3.5Å; I415-M451 VanDerWaalsContact CG1-CE 3.5Å; I415-M451 HydrophobicContact CG1-SD 4.01Å; L421-M451 HydrophobicContact CD1-CE 3.27Å; L421-M451 HydrophobicContact CG-CE 4.09Å; M451-F453 HydrophobicContact CE-CE2 4.36Å; M451-F453 HydrophobicContact CE-CZ 3.96Å; M451-F453 HydrophobicContact CG-CE2 3.97Å; M451-F453 HydrophobicContact CG-CZ 4.39Å; M451-F453 HydrophobicContact SD-CD2 4.44Å; M451-F453 HydrophobicContact SD-CE2 3.38Å; M451-F453 WeakPolarHBondContact SD-CE2 3.48Å; M451-F453 HydrophobicContact SD-CZ 3.58Å; M451-F453 VanDerWaalsContact SD-CZ 3.58Å; M451-L461 HydrophobicContact CE-CB 4.45Å; M451-L461 HydrophobicContact CE-CD1 3.68Å; M451-L461 HydrophobicContact CE-CD2 4.09Å; M451-L461 HydrophobicContact CE-CG 4.28Å; M451-V462 WeakPolarHBondContact CA-O 3.22Å; M451-M463 HydrophobicContact CB-CG 4.43Å; M451-M463 HydrophobicContact CE-CG 4.27Å; M451-M463 HydrophobicContact CE-SD 4.31Å
452	A	84.2	Confident	75.6	Confident	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.1	168.1	0	0	0	0	0	110.9	V462 I496 T498	A452-V462 PolarHBondContact N-O 3.16Å; A452-V462 PolarHBondContact O-N 3.47Å; A452-I496 HydrophobicContact CB-CB 4.43Å; A452-I496 HydrophobicContact CB-CG2 3.9Å; A452-T498 HydrophobicContact CB-CG2 3.65Å
453	F	81.1	Confident	77.1	Confident	15 Å²	15	38.2 Å²	38.2	7%	0.066	22%	0.222	C	C	.	.			trans	-96.2	131.5	170.2	-68.5	-90	0	0	0	109.8	Q402 V404 I413 M451 A455 L461 T498	Q402-F453 HydrophobicContact CB-CD2 4.41Å; Q402-F453 HydrophobicContact CB-CE2 4.14Å; Q402-F453 HydrophobicContact CG-CD2 4.25Å; Q402-F453 HydrophobicContact CG-CE2 4.45Å; V404-F453 HydrophobicContact CG1-CD1 4.24Å; V404-F453 HydrophobicContact CG1-CE1 4.34Å; V404-F453 HydrophobicContact CG2-CD1 3.87Å; V404-F453 HydrophobicContact CG2-CD2 3.31Å; V404-F453 HydrophobicContact CG2-CE1 3.88Å; V404-F453 HydrophobicContact CG2-CE2 3.36Å; V404-F453 HydrophobicContact CG2-CG 3.61Å; V404-F453 HydrophobicContact CG2-CZ 3.68Å; I413-F453 HydrophobicContact CB-CE2 4.43Å; I413-F453 HydrophobicContact CB-CZ 4.03Å; I413-F453 HydrophobicContact CD1-CE1 3.53Å; I413-F453 HydrophobicContact CD1-CE2 4.12Å; I413-F453 HydrophobicContact CD1-CZ 3.19Å; I413-F453 HydrophobicContact CG1-CZ 4.19Å; I413-F453 HydrophobicContact CG2-CZ 4.03Å; M451-F453 HydrophobicContact CE-CE2 4.36Å; M451-F453 HydrophobicContact CE-CZ 3.96Å; M451-F453 HydrophobicContact CG-CE2 3.97Å; M451-F453 HydrophobicContact CG-CZ 4.39Å; M451-F453 HydrophobicContact SD-CD2 4.44Å; M451-F453 HydrophobicContact SD-CE2 3.38Å; M451-F453 WeakPolarHBondContact SD-CE2 3.48Å; M451-F453 HydrophobicContact SD-CZ 3.58Å; M451-F453 VanDerWaalsContact SD-CZ 3.58Å; F453-A455 PolarHBondContact O-N 2.95Å; F453-L461 HydrophobicContact CD1-CB 3.9Å; F453-L461 HydrophobicContact CE1-CB 3.54Å; F453-L461 HydrophobicContact CE1-CD2 4.09Å; F453-L461 HydrophobicContact CE1-CG 4.47Å; F453-L461 HydrophobicContact CZ-CB 4.06Å; F453-L461 HydrophobicContact CZ-CD2 4.39Å; F453-T498 PolarHBondContact O-OG1 2.97Å
454	P	76.6	Confident	78.5	Confident	5 Å²	5	33 Å²	33	3%	0.032	19%	0.187	C	C	.	.			trans	-57.7	131.8	163.4	-20.8	33.3	0	0	0	109.5	N456 E457 S460 T498 L525	P454-N456 PolarHBondContact O-N 3.44Å; P454-E457 HydrophobicContact CB-CB 4.41Å; P454-E457 PolarHBondContact O-N 2.82Å; P454-E457 VanDerWaalsContact O-O 3.1Å; P454-S460 WeakPolarHBondContact CD-O 3.34Å; P454-T498 HydrophobicContact CG-CG2 4.32Å; P454-L525 HydrophobicContact CG-CD1 4Å
455	A	64.7	Low	79.3	Confident	48 Å²	48	26.7 Å²	26.7	40%	0.397	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.9	-171.1	0	0	0	0	0	114.4	F453 Y500	F453-A455 PolarHBondContact O-N 2.95Å; A455-Y500 HydrophobicContact CB-CD2 4.16Å
456	N	65.1	Low	80.2	Confident	109 Å²	109	28.9 Å²	28.9	58%	0.583	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.5	-179.3	-161.4	27.1	0	0	0	113.4	P454	P454-N456 PolarHBondContact O-N 3.44Å
457	E	70.5	Confident	80.4	Confident	98 Å²	98	31.5 Å²	31.5	46%	0.458	17%	0.173	S	C	.	.			trans	-122.8	120.5	-173	-64.6	-169.5	179.4	0	0	112.1	P454 S460	P454-E457 HydrophobicContact CB-CB 4.41Å; P454-E457 PolarHBondContact O-N 2.82Å; P454-E457 VanDerWaalsContact O-O 3.1Å; E457-S460 WeakPolarHBondContact OE2-CB 3.37Å
458	I	74.6	Confident	80.5	Confident	72 Å²	72	30.6 Å²	30.6	37%	0.369	17%	0.166	S	C	.	.	S	Bend	trans	-87.5	-19.9	-179.3	-51.3	175.4	0	0	0	110.6	V404	V404-I458 HydrophobicContact CG1-CB 4.24Å; V404-I458 HydrophobicContact CG1-CG2 3.37Å
459	N	79	Confident	80.8	Confident	72 Å²	72	34.4 Å²	34.4	39%	0.385	18%	0.181	S	C	.	.	S	Bend	trans	-102.1	-35	-173.3	-67.7	-28.5	0	0	0	112.9	S474 R475	N459-S474 CarbonylContact O-C 3.54Å; N459-S474 WeakPolarHBondContact O-CA 3.35Å; N459-R475 PolarHBondContact O-N 3.19Å; N459-R475 PolarHBondContact OD1-NH2 2.89Å
460	S	82.5	Confident	81	Confident	12 Å²	12	33 Å²	33	8%	0.084	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.1	174.9	-169.6	0	0	0	0	109.8	P454 E457 A473	P454-S460 WeakPolarHBondContact CD-O 3.34Å; E457-S460 WeakPolarHBondContact OE2-CB 3.37Å; S460-A473 CarbonylContact C-O 3.55Å; S460-A473 WeakPolarHBondContact CA-O 3.44Å
461	L	83.4	Confident	81.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.7	-179.3	64.4	92.6	0	0	0	109.7	L421 M451 F453 M463 S472 A473 R475	L421-L461 HydrophobicContact CD1-CD1 3.91Å; L421-L461 HydrophobicContact CD1-CD2 3.45Å; L421-L461 VanDerWaalsContact CD1-CD2 3.45Å; L421-L461 HydrophobicContact CD1-CG 4.34Å; M451-L461 HydrophobicContact CE-CB 4.45Å; M451-L461 HydrophobicContact CE-CD1 3.68Å; M451-L461 HydrophobicContact CE-CD2 4.09Å; M451-L461 HydrophobicContact CE-CG 4.28Å; F453-L461 HydrophobicContact CD1-CB 3.9Å; F453-L461 HydrophobicContact CE1-CB 3.54Å; F453-L461 HydrophobicContact CE1-CD2 4.09Å; F453-L461 HydrophobicContact CE1-CG 4.47Å; F453-L461 HydrophobicContact CZ-CB 4.06Å; F453-L461 HydrophobicContact CZ-CD2 4.39Å; L461-M463 HydrophobicContact CD1-CE 3.62Å; L461-M463 HydrophobicContact CD1-CG 3.28Å; L461-M463 HydrophobicContact CD1-SD 3.24Å; L461-M463 WeakPolarHBondContact CD1-SD 3.26Å; L461-S472 CarbonylContact O-C 3.51Å; L461-S472 WeakPolarHBondContact O-CA 3.35Å; L461-A473 HydrophobicContact CD1-CB 3.73Å; L461-A473 HydrophobicContact CG-CB 4.03Å; L461-A473 WeakPolarHBondContact CG-O 3.19Å; L461-A473 PolarHBondContact N-O 3.34Å; L461-A473 PolarHBondContact O-N 3.2Å; L461-R475 HydrophobicContact CD2-CB 4.45Å
462	V	86.4	Confident	81.1	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.6	177.5	-173.6	0	0	0	0	108	M451 A452 V470 Y471 I496 F511 L525	M451-V462 WeakPolarHBondContact CA-O 3.22Å; A452-V462 PolarHBondContact N-O 3.16Å; A452-V462 PolarHBondContact O-N 3.47Å; V462-V470 HydrophobicContact CG1-CG1 3.41Å; V462-V470 VanDerWaalsContact CG1-CG1 3.41Å; V462-Y471 CarbonylContact C-O 3.3Å; V462-Y471 WeakPolarHBondContact CA-O 3.46Å; V462-I496 HydrophobicContact CG1-CD1 4.23Å; V462-I496 HydrophobicContact CG1-CG2 4.18Å; V462-F511 HydrophobicContact CG1-CD2 3.96Å; V462-F511 HydrophobicContact CG1-CE2 3.88Å; V462-F511 HydrophobicContact CG1-CG 4.35Å; V462-F511 HydrophobicContact CG1-CZ 4.17Å; V462-F511 HydrophobicContact CG2-CD1 4.41Å; V462-L525 HydrophobicContact CG2-CD2 3.68Å
463	M	85.9	Confident	81	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.5	-176.7	-66.6	174.5	-56.5	0	0	110.7	I415 L421 L438 I448 S450 M451 L461 V470 Y471 A473 I496	I415-M463 HydrophobicContact CD1-CG 4.24Å; I415-M463 HydrophobicContact CD1-SD 4.4Å; L421-M463 HydrophobicContact CD1-SD 4.12Å; L438-M463 HydrophobicContact CD1-CE 3.43Å; L438-M463 VanDerWaalsContact CD1-CE 3.43Å; L438-M463 HydrophobicContact CD1-SD 3.33Å; L438-M463 WeakPolarHBondContact CD1-SD 3.44Å; L438-M463 HydrophobicContact CD2-CE 3.88Å; L438-M463 HydrophobicContact CG-CE 4.26Å; I448-M463 HydrophobicContact CD1-CB 4.47Å; I448-M463 HydrophobicContact CD1-CE 4.38Å; I448-M463 HydrophobicContact CD1-SD 3.74Å; I448-M463 HydrophobicContact CG2-CB 3.91Å; I448-M463 HydrophobicContact CG2-CG 4.27Å; S450-M463 WeakPolarHBondContact O-CA 3.36Å; M451-M463 HydrophobicContact CB-CG 4.43Å; M451-M463 HydrophobicContact CE-CG 4.27Å; M451-M463 HydrophobicContact CE-SD 4.31Å; L461-M463 HydrophobicContact CD1-CE 3.62Å; L461-M463 HydrophobicContact CD1-CG 3.28Å; L461-M463 HydrophobicContact CD1-SD 3.24Å; L461-M463 WeakPolarHBondContact CD1-SD 3.26Å; M463-V470 CarbonylContact O-C 3.58Å; M463-V470 WeakPolarHBondContact O-CA 3.41Å; M463-V470 WeakPolarHBondContact O-CG1 3.47Å; M463-Y471 PolarHBondContact N-O 2.93Å; M463-Y471 PolarHBondContact O-N 3.36Å; M463-A473 HydrophobicContact CE-CB 3.32Å; M463-I496 VanDerWaalsContact C-CD1 3.45Å
464	G	86.6	Confident	81	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	175.5	0	0	0	0	0	110	I448 T449 S450 I496	I448-G464 CarbonylContact C-O 3.45Å; I448-G464 VanDerWaalsContact CA-O 3.29Å; I448-G464 WeakPolarHBondContact CA-O 3.12Å; I448-G464 VanDerWaalsContact CG2-O 3.31Å; I448-G464 WeakPolarHBondContact CG2-O 3.25Å; T449-G464 PolarHBondContact N-O 3Å; T449-G464 PolarHBondContact OG1-O 3.48Å; S450-G464 PolarHBondContact O-N 3.35Å; G464-I496 VanDerWaalsContact CA-CD1 3.46Å
465	S	86.5	Confident	80.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.9	173.2	173.5	0	0	0	0	111.9	I446 A447 D467 G468 Y469 Y471 I493	I446-S465 WeakPolarHBondContact CG2-OG 3.41Å; A447-S465 VanDerWaalsContact O-CA 3.28Å; A447-S465 WeakPolarHBondContact O-CA 3.1Å; A447-S465 PolarHBondContact O-OG 2.89Å; S465-D467 PolarHBondContact O-N 3.18Å; S465-D467 PolarHBondContact OG-N 3.12Å; S465-G468 PolarHBondContact O-N 3.08Å; S465-G468 VanDerWaalsContact O-N 3.11Å; S465-Y469 VanDerWaalsContact CB-O 3.32Å; S465-Y469 WeakPolarHBondContact CB-O 3.44Å; S465-Y469 PolarHBondContact N-O 3.14Å; S465-Y471 VanDerWaalsContact CB-CE2 3.47Å; S465-I493 PolarHBondContact O-N 3.28Å
466	E	84.6	Confident	80.8	Confident	104 Å²	104	38.5 Å²	38.5	49%	0.486	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.6	168.1	-167.2	-174.9	162.1	0	0	111.8	A447 T449 G468 P492	A447-E466 HydrophobicContact CB-CB 4.17Å; A447-E466 PolarHBondContact O-N 2.85Å; T449-E466 HydrophobicContact CG2-CB 4.11Å; E466-G468 PolarHBondContact O-N 3.26Å; E466-G468 VanDerWaalsContact O-N 3.15Å; E466-P492 HydrophobicContact CG-CB 4.11Å; E466-P492 HydrophobicContact CG-CG 4.21Å; E466-P492 VanDerWaalsContact O-CA 3.29Å; E466-P492 WeakPolarHBondContact O-CA 3.14Å; E466-P492 WeakPolarHBondContact O-CB 3.49Å; E466-P492 WeakPolarHBondContact O-CG 3.19Å
467	D	82.6	Confident	80.6	Confident	60 Å²	60	35.5 Å²	35.5	32%	0.321	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-2	176.9	-72.5	-28.7	0	0	0	112.6	K444 S465 Y469 R488	K444-D467 IonicContact NZ-OD1 3.79Å; K444-D467 IonicContact NZ-OD2 3.71Å; K444-D467 PolarHBondContact NZ-OD2 3.48Å; S465-D467 PolarHBondContact O-N 3.18Å; S465-D467 PolarHBondContact OG-N 3.12Å; D467-Y469 HydrophobicContact CB-CD2 4.08Å; D467-R488 PolarHBondContact O-NE 2.81Å
468	G	83.1	Confident	79.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	88.5	1.6	178.4	0	0	0	0	0	114.6	S465 E466 H489 G491	S465-G468 PolarHBondContact O-N 3.08Å; S465-G468 VanDerWaalsContact O-N 3.11Å; E466-G468 PolarHBondContact O-N 3.26Å; E466-G468 VanDerWaalsContact O-N 3.15Å; G468-H489 WeakPolarHBondContact O-CB 3.26Å; G468-H489 PolarHBondContact O-N 2.81Å; G468-G491 WeakPolarHBondContact CA-O 3.29Å
469	Y	87.9	Confident	79.2	Confident	80 Å²	80	45.8 Å²	45.8	31%	0.314	23%	0.228	S	C	.	.			trans	-86.3	139.9	175.3	-67.4	-80.6	0	0	0	111.4	S465 D467 V485 R488 I493	S465-Y469 VanDerWaalsContact CB-O 3.32Å; S465-Y469 WeakPolarHBondContact CB-O 3.44Å; S465-Y469 PolarHBondContact N-O 3.14Å; D467-Y469 HydrophobicContact CB-CD2 4.08Å; Y469-V485 HydrophobicContact CD1-CG1 3.66Å; Y469-V485 HydrophobicContact CE1-CG1 4.36Å; Y469-V485 HydrophobicContact CG-CG1 4.2Å; Y469-R488 HydrophobicContact CD1-CB 4.04Å; Y469-R488 HydrophobicContact CE1-CB 3.72Å; Y469-R488 HydrophobicContact CE1-CG 4.39Å; Y469-I493 VanDerWaalsContact C-CD1 3.5Å; Y469-I493 VanDerWaalsContact O-CD1 3.26Å; Y469-I493 WeakPolarHBondContact O-CD1 3.39Å
470	V	87.9	Confident	78.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135	165	-167	0	0	0	0	108.5	V462 M463 Y486 I493 I496 F511 T513	V462-V470 HydrophobicContact CG1-CG1 3.41Å; V462-V470 VanDerWaalsContact CG1-CG1 3.41Å; M463-V470 CarbonylContact O-C 3.58Å; M463-V470 WeakPolarHBondContact O-CA 3.41Å; M463-V470 WeakPolarHBondContact O-CG1 3.47Å; V470-Y486 HydrophobicContact CB-CD2 3.85Å; V470-Y486 HydrophobicContact CB-CG 4.3Å; V470-Y486 HydrophobicContact CG1-CD2 3.97Å; V470-Y486 WeakPolarHBondContact O-CD2 3.42Å; V470-Y486 PolarHBondContact O-N 2.87Å; V470-I493 HydrophobicContact CB-CD1 4.41Å; V470-I493 HydrophobicContact CG2-CD1 3.58Å; V470-I496 HydrophobicContact CG1-CD1 4.22Å; V470-F511 HydrophobicContact CG1-CE2 3.78Å; V470-F511 HydrophobicContact CG1-CZ 4.17Å; V470-T513 HydrophobicContact CG1-CG2 4.44Å; V470-T513 HydrophobicContact CG2-CG2 3.8Å
471	Y	85.8	Confident	77.6	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.8	178.6	-64.8	-70.4	0	0	0	110	I446 V462 M463 S465 V482 V485	I446-Y471 HydrophobicContact CD1-CD2 4.46Å; I446-Y471 HydrophobicContact CD1-CE1 4.09Å; I446-Y471 HydrophobicContact CD1-CE2 3.85Å; I446-Y471 HydrophobicContact CG1-CE2 4.39Å; I446-Y471 HydrophobicContact CG2-CD2 4.03Å; I446-Y471 HydrophobicContact CG2-CE2 3.44Å; I446-Y471 VanDerWaalsContact CG2-CE2 3.44Å; V462-Y471 CarbonylContact C-O 3.3Å; V462-Y471 WeakPolarHBondContact CA-O 3.46Å; M463-Y471 PolarHBondContact N-O 2.93Å; M463-Y471 PolarHBondContact O-N 3.36Å; S465-Y471 VanDerWaalsContact CB-CE2 3.47Å; Y471-V482 HydrophobicContact CD1-CG1 3.43Å; Y471-V482 VanDerWaalsContact CD1-CG1 3.43Å; Y471-V482 HydrophobicContact CD1-CG2 4.46Å; Y471-V482 HydrophobicContact CE1-CG1 4.16Å; Y471-V482 HydrophobicContact CG-CG1 4.18Å; Y471-V485 HydrophobicContact CD1-CB 4.31Å; Y471-V485 HydrophobicContact CD1-CG1 4.11Å; Y471-V485 HydrophobicContact CD1-CG2 3.82Å; Y471-V485 HydrophobicContact CE1-CB 4.18Å; Y471-V485 HydrophobicContact CE1-CG1 3.66Å; Y471-V485 HydrophobicContact CE1-CG2 3.64Å
472	S	84.4	Confident	77.1	Confident	8 Å²	8	47.2 Å²	47.2	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.7	159.9	176.2	0	0	0	0	108.1	L461 N483 E484	L461-S472 CarbonylContact O-C 3.51Å; L461-S472 WeakPolarHBondContact O-CA 3.35Å; S472-N483 PolarHBondContact O-N 3.05Å; S472-E484 PolarHBondContact N-O 3.19Å; S472-E484 PolarHBondContact O-N 2.69Å
473	A	80.7	Confident	76.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.9	172	0	0	0	0	0	111.5	L438 S460 L461 M463 G481	L438-A473 HydrophobicContact CD2-CB 4.1Å; S460-A473 CarbonylContact C-O 3.55Å; S460-A473 WeakPolarHBondContact CA-O 3.44Å; L461-A473 HydrophobicContact CD1-CB 3.73Å; L461-A473 HydrophobicContact CG-CB 4.03Å; L461-A473 WeakPolarHBondContact CG-O 3.19Å; L461-A473 PolarHBondContact N-O 3.34Å; L461-A473 PolarHBondContact O-N 3.2Å; M463-A473 HydrophobicContact CE-CB 3.32Å; A473-G481 VanDerWaalsContact CA-O 3.26Å; A473-G481 WeakPolarHBondContact CA-O 3.33Å; A473-G481 WeakPolarHBondContact CB-O 3Å
474	S	81.2	Confident	75.9	Confident	23 Å²	23	53.6 Å²	53.6	16%	0.161	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.1	171.4	-70.7	0	0	0	0	110.7	N459 G481 N483	N459-S474 CarbonylContact O-C 3.54Å; N459-S474 WeakPolarHBondContact O-CA 3.35Å; S474-G481 PolarHBondContact N-O 2.93Å; S474-G481 PolarHBondContact O-N 2.99Å; S474-N483 PolarHBondContact OG-ND2 3.24Å
475	R	70.2	Confident	75.7	Confident	32 Å²	32	56.1 Å²	56.1	12%	0.121	29%	0.291	C	S	.	.	S	Bend	trans	-72.7	-37.7	-178.3	-177.5	-176.2	64.3	-178.2	-2.1	112.8	N459 L461 S480	N459-R475 PolarHBondContact O-N 3.19Å; N459-R475 PolarHBondContact OD1-NH2 2.89Å; L461-R475 HydrophobicContact CD2-CB 4.45Å; R475-S480 PolarHBondContact O-OG 3.13Å
476	H	66.9	Low	75.5	Confident	135 Å²	135	56.3 Å²	56.3	63%	0.625	29%	0.291	S	S	*	.	S	Bend	trans	-135.1	126.3	-171.8	-163.6	78	0	0	0	111.1
477	G	61.7	Low	75.1	Confident	47 Å²	47	55.8 Å²	55.8	49%	0.485	29%	0.289	S	S	.	.	S	Bend	trans	142.2	-178.8	174.3	0	0	0	0	0	114.6	R479 S480	G477-R479 PolarHBondContact O-N 3.11Å; G477-S480 WeakPolarHBondContact O-CB 3.29Å; G477-S480 PolarHBondContact O-N 2.92Å; G477-S480 VanDerWaalsContact O-N 3.1Å
478	L	55.7	Low	74.9	Confident	193 Å²	193	59.8 Å²	59.8	100%	1.01	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.9	176.9	-128.4	84.6	0	0	0	113.1
479	R	59.8	Low	74.9	Confident	192 Å²	192	59.8 Å²	59.8	73%	0.725	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	44.6	171.3	-60.4	-171.2	-177	-164.5	2.6	110.9	G477 G481 N483	G477-R479 PolarHBondContact O-N 3.11Å; R479-G481 PolarHBondContact O-N 3.45Å; R479-N483 WeakPolarHBondContact CB-OD1 3.41Å; R479-N483 PolarHBondContact O-OD1 3.06Å
480	S	61.8	Low	74.6	Confident	61 Å²	61	63.1 Å²	63.1	43%	0.427	32%	0.322	S	S	.	.			trans	-68.8	121.2	170.6	-170	0	0	0	0	108.6	L436 R475 G477	L436-S480 WeakPolarHBondContact CD1-OG 3.46Å; R475-S480 PolarHBondContact O-OG 3.13Å; G477-S480 WeakPolarHBondContact O-CB 3.29Å; G477-S480 PolarHBondContact O-N 2.92Å; G477-S480 VanDerWaalsContact O-N 3.1Å
481	G	67.1	Low	74.5	Confident	12 Å²	12	63.7 Å²	63.7	12%	0.124	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-169.6	-172.2	0	0	0	0	0	112.9	A473 S474 R479 N483	A473-G481 VanDerWaalsContact CA-O 3.26Å; A473-G481 WeakPolarHBondContact CA-O 3.33Å; A473-G481 WeakPolarHBondContact CB-O 3Å; S474-G481 PolarHBondContact N-O 2.93Å; S474-G481 PolarHBondContact O-N 2.99Å; R479-G481 PolarHBondContact O-N 3.45Å; G481-N483 PolarHBondContact O-N 3.22Å
482	V	72.1	Confident	74.6	Confident	41 Å²	41	65.4 Å²	65.4	25%	0.248	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.6	176.4	179.1	0	0	0	0	109	L438 Y471 V485	L438-V482 HydrophobicContact CB-CG2 4.18Å; L438-V482 HydrophobicContact CD2-CG2 3.84Å; Y471-V482 HydrophobicContact CD1-CG1 3.43Å; Y471-V482 VanDerWaalsContact CD1-CG1 3.43Å; Y471-V482 HydrophobicContact CD1-CG2 4.46Å; Y471-V482 HydrophobicContact CE1-CG1 4.16Å; Y471-V482 HydrophobicContact CG-CG1 4.18Å; V482-V485 HydrophobicContact CG1-CG2 4.17Å
483	N	73	Confident	74.8	Confident	57 Å²	57	65 Å²	65	31%	0.305	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-60	178.3	-73.4	-33.8	0	0	0	110.9	S472 S474 R479 G481	S472-N483 PolarHBondContact O-N 3.05Å; S474-N483 PolarHBondContact OG-ND2 3.24Å; R479-N483 WeakPolarHBondContact CB-OD1 3.41Å; R479-N483 PolarHBondContact O-OD1 3.06Å; G481-N483 PolarHBondContact O-N 3.22Å
484	E	74.9	Confident	75.1	Confident	77 Å²	77	66.4 Å²	66.4	36%	0.36	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.2	-171	-63.1	-172.3	172	0	0	109.5	S472	S472-E484 PolarHBondContact N-O 3.19Å; S472-E484 PolarHBondContact O-N 2.69Å
485	V	81.6	Confident	75.3	Confident	54 Å²	54	65.3 Å²	65.3	33%	0.327	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.7	175.1	-172.5	0	0	0	0	105.8	Y469 Y471 V482	Y469-V485 HydrophobicContact CD1-CG1 3.66Å; Y469-V485 HydrophobicContact CE1-CG1 4.36Å; Y469-V485 HydrophobicContact CG-CG1 4.2Å; Y471-V485 HydrophobicContact CD1-CB 4.31Å; Y471-V485 HydrophobicContact CD1-CG1 4.11Å; Y471-V485 HydrophobicContact CD1-CG2 3.82Å; Y471-V485 HydrophobicContact CE1-CB 4.18Å; Y471-V485 HydrophobicContact CE1-CG1 3.66Å; Y471-V485 HydrophobicContact CE1-CG2 3.64Å; V482-V485 HydrophobicContact CG1-CG2 4.17Å
486	Y	81.8	Confident	76.2	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.012	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-80.1	162.7	174.4	-60	-85.4	0	0	0	110.1	V470 F511 W523 L525 D527	V470-Y486 HydrophobicContact CB-CD2 3.85Å; V470-Y486 HydrophobicContact CB-CG 4.3Å; V470-Y486 HydrophobicContact CG1-CD2 3.97Å; V470-Y486 WeakPolarHBondContact O-CD2 3.42Å; V470-Y486 PolarHBondContact O-N 2.87Å; Y486-F511 HydrophobicContact CD1-CZ 4.38Å; Y486-F511 HydrophobicContact CD2-CZ 4.08Å; Y486-F511 HydrophobicContact CE1-CE1 4.42Å; Y486-F511 HydrophobicContact CE1-CZ 4.28Å; Y486-F511 HydrophobicContact CE2-CE1 4.33Å; Y486-F511 AromaticContact CE2-CZ 3.93Å; Y486-F511 HydrophobicContact CE2-CZ 3.93Å; Y486-F511 HydrophobicContact CG-CZ 4.33Å; Y486-W523 HydrophobicContact CD1-CE3 4.06Å; Y486-W523 HydrophobicContact CD1-CZ3 4.45Å; Y486-W523 HydrophobicContact CG-CE3 4.34Å; Y486-L525 WeakPolarHBondContact OH-CA 3.46Å; Y486-L525 WeakPolarHBondContact OH-CD2 3.26Å; Y486-L525 PolarHBondContact OH-O 3.43Å; Y486-D527 WeakPolarHBondContact CD1-O 3.5Å; Y486-D527 VanDerWaalsContact CE1-O 3.23Å; Y486-D527 WeakPolarHBondContact CE1-O 3.14Å
487	E	78.1	Confident	77.2	Confident	94 Å²	94	58.9 Å²	58.9	44%	0.439	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-57	154.3	177.1	-75.3	-176.5	170.4	0	0	112.8	W523 T528 P530	E487-W523 HydrophobicContact CB-CH2 4.09Å; E487-W523 HydrophobicContact CB-CZ3 4.33Å; E487-W523 WeakPolarHBondContact O-CH2 3.32Å; E487-T528 PolarHBondContact N-O 3.16Å; E487-T528 VanDerWaalsContact N-O 3.15Å; E487-P530 WeakPolarHBondContact OE2-CD 3.29Å
488	R	77.4	Confident	78.2	Confident	144 Å²	144	57.5 Å²	57.5	54%	0.543	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-79.1	135.5	-170	176.8	166.2	-171.3	-137.3	-3.9	112	D467 Y469	D467-R488 PolarHBondContact O-NE 2.81Å; Y469-R488 HydrophobicContact CD1-CB 4.04Å; Y469-R488 HydrophobicContact CE1-CB 3.72Å; Y469-R488 HydrophobicContact CE1-CG 4.39Å
489	H	82.1	Confident	79.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-75.5	147.4	156.5	-72.1	-83.3	0	0	0	111.2	G468 G491 I493 T513 D517 K521 W523	G468-H489 WeakPolarHBondContact O-CB 3.26Å; G468-H489 PolarHBondContact O-N 2.81Å; H489-G491 WeakPolarHBondContact CB-O 3.19Å; H489-G491 PolarHBondContact O-N 2.97Å; H489-I493 HydrophobicContact CB-CG1 4.46Å; H489-T513 PolarHBondContact CE1-OG1 2.86Å; H489-T513 VanDerWaalsContact CE1-OG1 3.23Å; H489-T513 PolarHBondContact NE2-OG1 3.23Å; H489-D517 WeakPolarHBondContact CB-OD2 3.38Å; H489-D517 IonicContact ND1-OD2 2.95Å; H489-K521 WeakPolarHBondContact CE1-CD 3.5Å; H489-K521 VanDerWaalsContact CE1-CG 3.46Å; H489-K521 WeakPolarHBondContact CE1-CG 3.36Å; H489-K521 WeakPolarHBondContact ND1-CE 3.42Å; H489-K521 PolarHBondContact ND1-NZ 3.05Å; H489-W523 AromaticContact NE2-CE2 3.98Å; H489-W523 AromaticContact NE2-CZ2 3.63Å; H489-W523 AromaticContact NE2-NE1 3.71Å
490	L	82.8	Confident	79.4	Confident	150 Å²	150	44 Å²	44	79%	0.785	23%	0.23	S	C	*	.	S	Bend	trans	-66.9	-28.1	-178.2	-74	157.2	0	0	0	111.1	D517	L490-D517 HydrophobicContact CB-CB 3.78Å; L490-D517 PolarHBondContact N-OD2 2.79Å
491	G	85.1	Confident	79.1	Confident	11 Å²	11	41.9 Å²	41.9	11%	0.113	21%	0.214	C	C	.	.	S	Bend	trans	-118.4	177	176.7	0	0	0	0	0	114.4	G468 H489 S515 D517	G468-G491 WeakPolarHBondContact CA-O 3.29Å; H489-G491 WeakPolarHBondContact CB-O 3.19Å; H489-G491 PolarHBondContact O-N 2.97Å; G491-S515 PolarHBondContact O-OG 2.99Å; G491-D517 PolarHBondContact N-OD2 2.62Å
492	P	88.1	Confident	78.5	Confident	39 Å²	39	48.5 Å²	48.5	25%	0.253	24%	0.241	S	C	.	.			trans	-58.1	139.2	169.3	-24.1	34	0	0	0	111.8	E466 S515 I516	E466-P492 HydrophobicContact CG-CB 4.11Å; E466-P492 HydrophobicContact CG-CG 4.21Å; E466-P492 VanDerWaalsContact O-CA 3.29Å; E466-P492 WeakPolarHBondContact O-CA 3.14Å; E466-P492 WeakPolarHBondContact O-CB 3.49Å; E466-P492 WeakPolarHBondContact O-CG 3.19Å; P492-S515 WeakPolarHBondContact O-CA 3.46Å; P492-S515 PolarHBondContact O-OG 2.77Å; P492-I516 HydrophobicContact CB-CD1 3.95Å; P492-I516 HydrophobicContact CB-CG1 4.41Å; P492-I516 HydrophobicContact CG-CD1 4.03Å; P492-I516 PolarHBondContact O-N 3.46Å
493	I	89.9	Confident	77.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.2	172.9	-64	155.2	0	0	0	108.2	T449 S465 Y469 V470 H489 I496 S514	T449-I493 VanDerWaalsContact CB-O 3.29Å; T449-I493 WeakPolarHBondContact CB-O 2.96Å; T449-I493 PolarHBondContact OG1-O 3.33Å; S465-I493 PolarHBondContact O-N 3.28Å; Y469-I493 VanDerWaalsContact C-CD1 3.5Å; Y469-I493 VanDerWaalsContact O-CD1 3.26Å; Y469-I493 WeakPolarHBondContact O-CD1 3.39Å; V470-I493 HydrophobicContact CB-CD1 4.41Å; V470-I493 HydrophobicContact CG2-CD1 3.58Å; H489-I493 HydrophobicContact CB-CG1 4.46Å; I493-I496 HydrophobicContact CG2-CD1 4.12Å; I493-I496 HydrophobicContact CG2-CG1 3.77Å; I493-S514 WeakPolarHBondContact CA-O 3.24Å; I493-S514 WeakPolarHBondContact CG2-O 3.08Å
494	T	86.9	Confident	76.2	Confident	29 Å²	29	53.4 Å²	53.4	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-40.6	-176	53.6	0	0	0	0	111.9	S514 I516 V541 M542	T494-S514 PolarHBondContact N-O 3.1Å; T494-S514 PolarHBondContact OG1-O 3.49Å; T494-S514 PolarHBondContact OG1-OG 3.14Å; T494-I516 HydrophobicContact CG2-CD1 3.98Å; T494-I516 HydrophobicContact CG2-CG1 3.33Å; T494-V541 PolarHBondContact OG1-O 3.15Å; T494-M542 WeakPolarHBondContact CB-O 3.39Å; T494-M542 PolarHBondContact OG1-O 3.34Å; T494-M542 VanDerWaalsContact OG1-O 3.13Å
495	G	85.4	Confident	75.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.4	-177.5	0	0	0	0	0	111.5	T513 S514	G495-T513 WeakPolarHBondContact O-CA 3.42Å; G495-S514 VanDerWaalsContact CA-OG 3.25Å; G495-S514 WeakPolarHBondContact CA-OG 3.39Å; G495-S514 PolarHBondContact N-OG 3.33Å; G495-S514 PolarHBondContact O-N 3.3Å; G495-S514 PolarHBondContact O-OG 3.1Å
496	I	89.1	Confident	74.3	Confident	12 Å²	12	56.1 Å²	56.1	6%	0.062	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.8	170.5	-59.7	-170.4	0	0	0	107.3	S450 A452 V462 M463 G464 V470 I493 F511 L512 T513	S450-I496 PolarHBondContact OG-N 3.33Å; A452-I496 HydrophobicContact CB-CB 4.43Å; A452-I496 HydrophobicContact CB-CG2 3.9Å; V462-I496 HydrophobicContact CG1-CD1 4.23Å; V462-I496 HydrophobicContact CG1-CG2 4.18Å; M463-I496 VanDerWaalsContact C-CD1 3.45Å; G464-I496 VanDerWaalsContact CA-CD1 3.46Å; V470-I496 HydrophobicContact CG1-CD1 4.22Å; I493-I496 HydrophobicContact CG2-CD1 4.12Å; I493-I496 HydrophobicContact CG2-CG1 3.77Å; I496-F511 HydrophobicContact CG2-CD2 4.5Å; I496-L512 WeakPolarHBondContact CA-O 3.44Å; I496-T513 HydrophobicContact CD1-CG2 4.19Å; I496-T513 HydrophobicContact CG1-CG2 4.01Å; I496-T513 HydrophobicContact CG2-CG2 4.43Å
497	S	86.8	Confident	73.5	Confident	20 Å²	20	56.1 Å²	56.1	14%	0.14	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.1	173.5	-171.5	0	0	0	0	110.1	F511 L512 V544 W546	S497-F511 CarbonylContact O-C 3.43Å; S497-F511 WeakPolarHBondContact O-CA 3.35Å; S497-L512 PolarHBondContact N-O 3.33Å; S497-L512 PolarHBondContact O-N 3.44Å; S497-V544 WeakPolarHBondContact CB-O 3.45Å; S497-W546 PolarHBondContact OG-N 2.95Å
498	T	82.2	Confident	72.9	Confident	18 Å²	18	52.4 Å²	52.4	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	147.3	174.3	47.3	0	0	0	0	109.5	A452 F453 P454 Y500 F511	A452-T498 HydrophobicContact CB-CG2 3.65Å; F453-T498 PolarHBondContact O-OG1 2.97Å; P454-T498 HydrophobicContact CG-CG2 4.32Å; T498-Y500 PolarHBondContact O-N 2.88Å; T498-Y500 VanDerWaalsContact O-N 3.1Å; T498-F511 HydrophobicContact CG2-CB 3.99Å
499	H	75	Confident	72.9	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.009	26%	0.255	C	S	.	.			trans	-62.3	117.3	175.4	-173.5	-86.8	0	0	0	109.8	N501 L510 W546 P551	H499-N501 PolarHBondContact O-N 3.11Å; H499-L510 HydrophobicContact CB-CB 4.33Å; H499-L510 PolarHBondContact N-O 3.35Å; H499-L510 VanDerWaalsContact N-O 3.09Å; H499-W546 AromaticContact CD2-CE3 3.73Å; H499-W546 AromaticContact CD2-CH2 3.94Å; H499-W546 AromaticContact CD2-CZ3 3.69Å; H499-P551 PolarHBondContact CD2-O 2.69Å; H499-P551 WeakPolarHBondContact NE2-CA 3.13Å; H499-P551 PolarHBondContact NE2-O 3.34Å; H499-P551 VanDerWaalsContact NE2-O 3.1Å
500	Y	65.8	Low	73.1	Confident	100 Å²	100	46.8 Å²	46.8	39%	0.392	26%	0.255	S	S	.	.			trans	-87.2	102.6	179.5	-170.8	-89.9	0	0	0	108.2	A455 T498 Q502 P548	A455-Y500 HydrophobicContact CB-CD2 4.16Å; T498-Y500 PolarHBondContact O-N 2.88Å; T498-Y500 VanDerWaalsContact O-N 3.1Å; Y500-Q502 HydrophobicContact CE1-CG 4.22Å; Y500-Q502 PolarHBondContact OH-NE2 3.21Å; Y500-Q502 VanDerWaalsContact OH-NE2 3.14Å; Y500-P548 HydrophobicContact CD1-CB 3.76Å; Y500-P548 HydrophobicContact CE1-CB 4.34Å; Y500-P548 HydrophobicContact CG-CB 4.27Å
501	N	56.8	Low	73.4	Confident	16 Å²	16	39.7 Å²	39.7	9%	0.086	22%	0.218	C	C	.	.			trans	-141.4	117.5	169.1	-163.2	13.3	0	0	0	113	H499 L503 S504 W625	H499-N501 PolarHBondContact O-N 3.11Å; N501-L503 PolarHBondContact OD1-N 3.33Å; N501-S504 WeakPolarHBondContact ND2-CA 3.5Å; N501-S504 WeakPolarHBondContact ND2-CB 3.43Å; N501-S504 PolarHBondContact ND2-N 2.8Å; N501-S504 PolarHBondContact ND2-O 2.92Å; N501-W625 HydrophobicContact CB-CH2 4.39Å; N501-W625 VanDerWaalsContact CG-CH2 3.46Å; N501-W625 WeakPolarHBondContact ND2-CH2 3.49Å; N501-W625 WeakPolarHBondContact ND2-CZ3 3.43Å
502	Q	53.2	Low	73.6	Confident	151 Å²	151	39.1 Å²	39.1	71%	0.706	21%	0.213	S	C	*	.	S	Bend	trans	-86.8	-17.3	170.9	-65.4	-175.7	-19.1	0	0	112.3	Y500	Y500-Q502 HydrophobicContact CE1-CG 4.22Å; Y500-Q502 PolarHBondContact OH-NE2 3.21Å; Y500-Q502 VanDerWaalsContact OH-NE2 3.14Å
503	L	46.9	Very low	73.8	Confident	164 Å²	164	37.3 Å²	37.3	86%	0.859	20%	0.2	S	C	*	.	S	Bend	trans	-99.9	-25.7	-169.3	-76.4	128	0	0	0	114.7	N501	N501-L503 PolarHBondContact OD1-N 3.33Å
504	S	51.3	Low	73.9	Confident	38 Å²	38	37.3 Å²	37.3	27%	0.266	20%	0.2	S	C	.	.			trans	-137.2	109.1	170.9	-177.8	0	0	0	0	110.5	N501 D506	N501-S504 WeakPolarHBondContact ND2-CA 3.5Å; N501-S504 WeakPolarHBondContact ND2-CB 3.43Å; N501-S504 PolarHBondContact ND2-N 2.8Å; N501-S504 PolarHBondContact ND2-O 2.92Å; S504-D506 PolarHBondContact O-N 2.89Å
505	P	55.3	Low	74.1	Confident	92 Å²	92	35.9 Å²	35.9	60%	0.597	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-72	-8	-174.7	26.6	-32.4	0	0	0	114.1	F507 G508	P505-F507 VanDerWaalsContact C-N 3.35Å; P505-F507 PolarHBondContact O-N 3.28Å; P505-G508 PolarHBondContact O-N 3.06Å
506	D	60.1	Low	74.3	Confident	95 Å²	95	38.8 Å²	38.8	51%	0.508	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-70.3	-31.3	-173.6	-156.3	15.1	0	0	0	112.4	S504 H509	S504-D506 PolarHBondContact O-N 2.89Å; D506-H509 PolarHBondContact O-CE1 3.34Å; D506-H509 PolarHBondContact O-ND1 2.87Å
507	F	65.9	Low	74.3	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.018	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-90.3	-0.2	-178.2	-60.4	-79.6	0	0	0	115	P505 H509 L510 W625 F628 N629	P505-F507 VanDerWaalsContact C-N 3.35Å; P505-F507 PolarHBondContact O-N 3.28Å; F507-H509 PolarHBondContact O-N 2.78Å; F507-L510 HydrophobicContact CD1-CD1 4.14Å; F507-L510 PolarHBondContact O-N 2.78Å; F507-W625 AromaticContact CD2-CE3 3.87Å; F507-W625 HydrophobicContact CD2-CE3 3.87Å; F507-W625 AromaticContact CD2-CZ3 3.72Å; F507-W625 HydrophobicContact CD2-CZ3 3.72Å; F507-W625 AromaticContact CE2-CE3 3.56Å; F507-W625 HydrophobicContact CE2-CE3 3.56Å; F507-W625 AromaticContact CE2-CZ3 3.93Å; F507-W625 HydrophobicContact CE2-CZ3 3.93Å; F507-W625 HydrophobicContact CZ-CE3 4.4Å; F507-F628 AromaticContact CD1-CD1 3.88Å; F507-F628 HydrophobicContact CD1-CD1 3.88Å; F507-F628 AromaticContact CD1-CE1 3.7Å; F507-F628 HydrophobicContact CD1-CE1 3.7Å; F507-F628 AromaticContact CE1-CD1 3.45Å; F507-F628 HydrophobicContact CE1-CD1 3.45Å; F507-F628 VanDerWaalsContact CE1-CD1 3.45Å; F507-F628 AromaticContact CE1-CE1 3.74Å; F507-F628 HydrophobicContact CE1-CE1 3.74Å; F507-F628 AromaticContact CZ-CD1 3.93Å; F507-F628 HydrophobicContact CZ-CD1 3.93Å; F507-N629 WeakPolarHBondContact CE1-OD1 3.47Å; F507-N629 HydrophobicContact CZ-CB 4.2Å; F507-N629 VanDerWaalsContact CZ-ND2 3.26Å; F507-N629 WeakPolarHBondContact CZ-ND2 3.35Å; F507-N629 WeakPolarHBondContact CZ-OD1 3.42Å
508	G	65.8	Low	74.4	Confident	15 Å²	15	44.5 Å²	44.5	16%	0.155	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.3	-7.7	-179.2	0	0	0	0	0	114.4	P505	P505-G508 PolarHBondContact O-N 3.06Å
509	H	77.1	Confident	74.7	Confident	25 Å²	25	44.2 Å²	44.2	12%	0.116	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-86.9	-6.1	176.6	72.1	-69.3	0	0	0	113.8	D506 F507 S524 L525	D506-H509 PolarHBondContact O-CE1 3.34Å; D506-H509 PolarHBondContact O-ND1 2.87Å; F507-H509 PolarHBondContact O-N 2.78Å; H509-S524 PolarHBondContact CD2-OG 3.32Å; H509-S524 PolarHBondContact NE2-OG 2.57Å; H509-S524 CarbonylContact O-C 3.57Å; H509-L525 HydrophobicContact CB-CB 4.21Å; H509-L525 PolarHBondContact O-N 3.09Å
510	L	86.4	Confident	75.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.9	178.1	-63.7	176.4	0	0	0	111.7	H499 F507 L522 W523 L531 F628 L632	H499-L510 HydrophobicContact CB-CB 4.33Å; H499-L510 PolarHBondContact N-O 3.35Å; H499-L510 VanDerWaalsContact N-O 3.09Å; F507-L510 HydrophobicContact CD1-CD1 4.14Å; F507-L510 PolarHBondContact O-N 2.78Å; L510-L522 HydrophobicContact CB-CD1 4.49Å; L510-W523 WeakPolarHBondContact CA-O 3.32Å; L510-W523 WeakPolarHBondContact CD2-O 3.38Å; L510-L531 HydrophobicContact CD2-CD1 3.61Å; L510-F628 HydrophobicContact CD1-CE1 3.8Å; L510-F628 HydrophobicContact CD1-CZ 3.86Å; L510-L632 HydrophobicContact CD1-CD1 4.14Å; L510-L632 HydrophobicContact CD1-CD2 3.96Å; L510-L632 HydrophobicContact CD2-CD1 4.21Å; L510-L632 HydrophobicContact CD2-CD2 4.38Å
511	F	88.6	Confident	76.7	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.4	172.2	65.9	-87.9	0	0	0	111.1	V462 V470 Y486 I496 S497 T498 T513 W523 L525	V462-F511 HydrophobicContact CG1-CD2 3.96Å; V462-F511 HydrophobicContact CG1-CE2 3.88Å; V462-F511 HydrophobicContact CG1-CG 4.35Å; V462-F511 HydrophobicContact CG1-CZ 4.17Å; V462-F511 HydrophobicContact CG2-CD1 4.41Å; V470-F511 HydrophobicContact CG1-CE2 3.78Å; V470-F511 HydrophobicContact CG1-CZ 4.17Å; Y486-F511 HydrophobicContact CD1-CZ 4.38Å; Y486-F511 HydrophobicContact CD2-CZ 4.08Å; Y486-F511 HydrophobicContact CE1-CE1 4.42Å; Y486-F511 HydrophobicContact CE1-CZ 4.28Å; Y486-F511 HydrophobicContact CE2-CE1 4.33Å; Y486-F511 AromaticContact CE2-CZ 3.93Å; Y486-F511 HydrophobicContact CE2-CZ 3.93Å; Y486-F511 HydrophobicContact CG-CZ 4.33Å; I496-F511 HydrophobicContact CG2-CD2 4.5Å; S497-F511 CarbonylContact O-C 3.43Å; S497-F511 WeakPolarHBondContact O-CA 3.35Å; T498-F511 HydrophobicContact CG2-CB 3.99Å; F511-T513 HydrophobicContact CD2-CG2 3.77Å; F511-T513 HydrophobicContact CE2-CG2 3.74Å; F511-W523 HydrophobicContact CD1-CB 3.87Å; F511-W523 HydrophobicContact CD2-CB 3.78Å; F511-W523 AromaticContact CD2-CD1 3.83Å; F511-W523 HydrophobicContact CD2-CG 4.05Å; F511-W523 HydrophobicContact CE1-CB 3.41Å; F511-W523 VanDerWaalsContact CE1-CB 3.41Å; F511-W523 HydrophobicContact CE1-CG 4.32Å; F511-W523 HydrophobicContact CE2-CB 3.3Å; F511-W523 AromaticContact CE2-CD1 3.4Å; F511-W523 HydrophobicContact CE2-CD2 4.26Å; F511-W523 AromaticContact CE2-CG 3.37Å; F511-W523 HydrophobicContact CE2-CG 3.37Å; F511-W523 HydrophobicContact CG-CB 4.05Å; F511-W523 HydrophobicContact CZ-CB 3.13Å; F511-W523 HydrophobicContact CZ-CD2 4.29Å; F511-W523 AromaticContact CZ-CG 3.56Å; F511-W523 HydrophobicContact CZ-CG 3.56Å; F511-W523 PolarHBondContact N-O 3.05Å; F511-W523 VanDerWaalsContact N-O 3.12Å; F511-W523 PolarHBondContact O-N 3.36Å; F511-L525 HydrophobicContact CD1-CD2 4Å; F511-L525 HydrophobicContact CD1-CG 4.09Å; F511-L525 HydrophobicContact CE1-CD2 3.77Å; F511-L525 HydrophobicContact CE1-CG 4.15Å
512	L	90	Very high	78.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.1	173	-74.6	170.4	0	0	0	109.8	I496 S497 I520 K521 L522 F534 V544 W546 F554	I496-L512 WeakPolarHBondContact CA-O 3.44Å; S497-L512 PolarHBondContact N-O 3.33Å; S497-L512 PolarHBondContact O-N 3.44Å; L512-I520 HydrophobicContact CD2-CG2 3.97Å; L512-K521 WeakPolarHBondContact CA-O 3.39Å; L512-L522 HydrophobicContact CD2-CB 3.9Å; L512-L522 HydrophobicContact CD2-CD1 3.8Å; L512-L522 HydrophobicContact CD2-CG 4.46Å; L512-L522 HydrophobicContact CG-CD1 4.22Å; L512-F534 HydrophobicContact CD2-CE2 4.11Å; L512-V544 HydrophobicContact CB-CG1 4.26Å; L512-V544 HydrophobicContact CB-CG2 4.18Å; L512-V544 HydrophobicContact CD1-CG2 3.98Å; L512-W546 HydrophobicContact CD1-CD2 4.08Å; L512-W546 HydrophobicContact CD1-CG 4.2Å; L512-W546 HydrophobicContact CD1-CZ2 3.86Å; L512-W546 HydrophobicContact CG-CZ2 4.03Å; L512-F554 HydrophobicContact CD1-CB 3.55Å; L512-F554 HydrophobicContact CD1-CD1 3.63Å; L512-F554 HydrophobicContact CD1-CD2 3.69Å; L512-F554 HydrophobicContact CD1-CE1 4.17Å; L512-F554 HydrophobicContact CD1-CE2 4.23Å; L512-F554 HydrophobicContact CD1-CG 3.35Å; L512-F554 HydrophobicContact CD1-CZ 4.44Å
513	T	91.1	Very high	79.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.4	171.4	61.3	0	0	0	0	109.4	V470 H489 G495 I496 F511 I520 K521 W523	V470-T513 HydrophobicContact CG1-CG2 4.44Å; V470-T513 HydrophobicContact CG2-CG2 3.8Å; H489-T513 PolarHBondContact CE1-OG1 2.86Å; H489-T513 VanDerWaalsContact CE1-OG1 3.23Å; H489-T513 PolarHBondContact NE2-OG1 3.23Å; G495-T513 WeakPolarHBondContact O-CA 3.42Å; I496-T513 HydrophobicContact CD1-CG2 4.19Å; I496-T513 HydrophobicContact CG1-CG2 4.01Å; I496-T513 HydrophobicContact CG2-CG2 4.43Å; F511-T513 HydrophobicContact CD2-CG2 3.77Å; F511-T513 HydrophobicContact CE2-CG2 3.74Å; T513-I520 WeakPolarHBondContact O-CA 3.46Å; T513-K521 PolarHBondContact N-O 2.86Å; T513-K521 PolarHBondContact O-N 2.92Å; T513-K521 PolarHBondContact OG1-O 3.36Å; T513-W523 PolarHBondContact OG1-NE1 2.89Å
514	S	91.7	Very high	81.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	148.8	169.1	58.9	0	0	0	0	110.7	I493 T494 G495	I493-S514 WeakPolarHBondContact CA-O 3.24Å; I493-S514 WeakPolarHBondContact CG2-O 3.08Å; T494-S514 PolarHBondContact N-O 3.1Å; T494-S514 PolarHBondContact OG1-O 3.49Å; T494-S514 PolarHBondContact OG1-OG 3.14Å; G495-S514 VanDerWaalsContact CA-OG 3.25Å; G495-S514 WeakPolarHBondContact CA-OG 3.39Å; G495-S514 PolarHBondContact N-OG 3.33Å; G495-S514 PolarHBondContact O-N 3.3Å; G495-S514 PolarHBondContact O-OG 3.1Å
515	S	91.2	Very high	83.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.2	-177.5	172	0	0	0	0	110.9	G491 P492 D517 W518 T519	G491-S515 PolarHBondContact O-OG 2.99Å; P492-S515 WeakPolarHBondContact O-CA 3.46Å; P492-S515 PolarHBondContact O-OG 2.77Å; S515-D517 WeakPolarHBondContact CB-OD1 3.37Å; S515-D517 PolarHBondContact O-N 2.97Å; S515-D517 PolarHBondContact OG-N 2.91Å; S515-D517 PolarHBondContact OG-OD1 2.97Å; S515-D517 VanDerWaalsContact OG-OD1 3.05Å; S515-D517 PolarHBondContact OG-OD2 3.23Å; S515-D517 VanDerWaalsContact OG-OD2 3.05Å; S515-W518 PolarHBondContact O-N 2.92Å; S515-T519 PolarHBondContact N-O 2.79Å
516	I	89.8	Confident	84.4	Confident	61 Å²	61	26.7 Å²	26.7	31%	0.313	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.7	172.2	-56.6	-176.7	0	0	0	111	P492 T494 W518 Y540	P492-I516 HydrophobicContact CB-CD1 3.95Å; P492-I516 HydrophobicContact CB-CG1 4.41Å; P492-I516 HydrophobicContact CG-CD1 4.03Å; P492-I516 PolarHBondContact O-N 3.46Å; T494-I516 HydrophobicContact CG2-CD1 3.98Å; T494-I516 HydrophobicContact CG2-CG1 3.33Å; I516-W518 PolarHBondContact O-N 3.34Å; I516-W518 VanDerWaalsContact O-N 3.11Å; I516-Y540 HydrophobicContact CB-CD1 4.42Å; I516-Y540 HydrophobicContact CG2-CD1 3.39Å; I516-Y540 HydrophobicContact CG2-CE1 3.67Å; I516-Y540 HydrophobicContact CG2-CG 3.96Å; I516-Y540 WeakPolarHBondContact O-CD1 3.26Å
517	D	88.4	Confident	85.4	Confident	24 Å²	24	25.1 Å²	25.1	13%	0.128	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	15.8	175	62	18.9	0	0	0	114.6	H489 L490 G491 S515 T519	H489-D517 WeakPolarHBondContact CB-OD2 3.38Å; H489-D517 IonicContact ND1-OD2 2.95Å; L490-D517 HydrophobicContact CB-CB 3.78Å; L490-D517 PolarHBondContact N-OD2 2.79Å; G491-D517 PolarHBondContact N-OD2 2.62Å; S515-D517 WeakPolarHBondContact CB-OD1 3.37Å; S515-D517 PolarHBondContact O-N 2.97Å; S515-D517 PolarHBondContact OG-N 2.91Å; S515-D517 PolarHBondContact OG-OD1 2.97Å; S515-D517 VanDerWaalsContact OG-OD1 3.05Å; S515-D517 PolarHBondContact OG-OD2 3.23Å; S515-D517 VanDerWaalsContact OG-OD2 3.05Å; D517-T519 PolarHBondContact O-N 2.91Å; D517-T519 WeakPolarHBondContact OD1-CB 3.32Å; D517-T519 PolarHBondContact OD1-N 2.81Å; D517-T519 PolarHBondContact OD1-OG1 3.25Å
518	W	88.9	Confident	86	Confident	128 Å²	128	28.5 Å²	28.5	49%	0.485	14%	0.14	S	C	.	.	S	Bend	trans	69.3	0.9	-177.6	-44.5	-36.2	0	0	0	114.1	S515 I516 Y540	S515-W518 PolarHBondContact O-N 2.92Å; I516-W518 PolarHBondContact O-N 3.34Å; I516-W518 VanDerWaalsContact O-N 3.11Å; W518-Y540 AromaticContact CD1-CD1 3.57Å; W518-Y540 VanDerWaalsContact CD1-N 3.34Å; W518-Y540 HydrophobicContact CZ2-CE1 4.45Å; W518-Y540 AromaticContact NE1-CD1 3.14Å; W518-Y540 AromaticContact NE1-CE1 3.28Å; W518-Y540 VanDerWaalsContact NE1-CE1 3.28Å
519	T	89.8	Confident	86.8	Confident	11 Å²	11	32.3 Å²	32.3	7%	0.067	15%	0.152	C	C	.	.			trans	-101.7	147.8	-177.1	76.5	0	0	0	0	112.3	S515 D517 F534 E535	S515-T519 PolarHBondContact N-O 2.79Å; D517-T519 PolarHBondContact O-N 2.91Å; D517-T519 WeakPolarHBondContact OD1-CB 3.32Å; D517-T519 PolarHBondContact OD1-N 2.81Å; D517-T519 PolarHBondContact OD1-OG1 3.25Å; T519-F534 WeakPolarHBondContact CA-O 3.35Å; T519-E535 HydrophobicContact CG2-CG 3.97Å
520	I	91.4	Very high	87.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.9	163.5	-56.2	166.7	0	0	0	106.2	L512 T513 S533 F534 V541 V544 F554 A556	L512-I520 HydrophobicContact CD2-CG2 3.97Å; T513-I520 WeakPolarHBondContact O-CA 3.46Å; I520-S533 CarbonylContact O-C 3.58Å; I520-S533 WeakPolarHBondContact O-CA 3.44Å; I520-F534 HydrophobicContact CB-CB 4.16Å; I520-F534 HydrophobicContact CB-CD2 3.98Å; I520-F534 HydrophobicContact CB-CG 4.49Å; I520-F534 HydrophobicContact CG2-CD2 4.04Å; I520-F534 PolarHBondContact N-O 2.87Å; I520-F534 VanDerWaalsContact N-O 3.08Å; I520-F534 WeakPolarHBondContact O-CD2 3.35Å; I520-F534 PolarHBondContact O-N 2.87Å; I520-V541 HydrophobicContact CD1-CG1 4.2Å; I520-V541 HydrophobicContact CG1-CG1 4.04Å; I520-V541 HydrophobicContact CG1-CG2 4.33Å; I520-V544 HydrophobicContact CG2-CG2 4.37Å; I520-F554 HydrophobicContact CD1-CE2 4.17Å; I520-F554 HydrophobicContact CG2-CE2 4.4Å; I520-A556 HydrophobicContact CD1-CB 3.32Å
521	K	90.7	Very high	87.1	Confident	26 Å²	26	32.5 Å²	32.5	11%	0.113	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.2	176	-63.7	-175.7	-166.3	157.7	0	111	H489 L512 T513 W523 P530 Y532	H489-K521 WeakPolarHBondContact CE1-CD 3.5Å; H489-K521 VanDerWaalsContact CE1-CG 3.46Å; H489-K521 WeakPolarHBondContact CE1-CG 3.36Å; H489-K521 WeakPolarHBondContact ND1-CE 3.42Å; H489-K521 PolarHBondContact ND1-NZ 3.05Å; L512-K521 WeakPolarHBondContact CA-O 3.39Å; T513-K521 PolarHBondContact N-O 2.86Å; T513-K521 PolarHBondContact O-N 2.92Å; T513-K521 PolarHBondContact OG1-O 3.36Å; K521-W523 HydrophobicContact CB-CZ2 4.03Å; K521-W523 HydrophobicContact CD-CH2 4.5Å; K521-W523 HydrophobicContact CD-CZ2 3.81Å; K521-W523 VanDerWaalsContact O-CD1 3.29Å; K521-P530 HydrophobicContact CB-CB 4.21Å; K521-P530 HydrophobicContact CD-CB 3.97Å; K521-P530 HydrophobicContact CD-CG 4.24Å; K521-P530 HydrophobicContact CG-CB 4.45Å; K521-Y532 CarbonylContact C-O 3.56Å; K521-Y532 WeakPolarHBondContact CA-O 3.4Å
522	L	90	Very high	87	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.3	169	-179.8	65	0	0	0	109	L510 L512 P530 L531 Y532 F534 W546 L568 L632	L510-L522 HydrophobicContact CB-CD1 4.49Å; L512-L522 HydrophobicContact CD2-CB 3.9Å; L512-L522 HydrophobicContact CD2-CD1 3.8Å; L512-L522 HydrophobicContact CD2-CG 4.46Å; L512-L522 HydrophobicContact CG-CD1 4.22Å; L522-P530 CarbonylContact O-C 3.56Å; L522-L531 HydrophobicContact CD2-CB 4.47Å; L522-L531 HydrophobicContact CD2-CD1 4.42Å; L522-L531 HydrophobicContact CG-CB 4.36Å; L522-L531 HydrophobicContact CG-CD1 4.31Å; L522-L531 PolarHBondContact O-N 2.82Å; L522-Y532 PolarHBondContact N-O 3.04Å; L522-Y532 PolarHBondContact O-N 2.87Å; L522-F534 HydrophobicContact CB-CE2 4.24Å; L522-W546 HydrophobicContact CD1-CZ2 4.12Å; L522-L568 HydrophobicContact CD2-CD2 4.25Å; L522-L632 HydrophobicContact CD2-CD1 4.31Å
523	W	88.4	Confident	86.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	158.4	-177.7	-59	90.2	0	0	0	111.5	Y486 E487 H489 L510 F511 T513 K521 K529 P530	Y486-W523 HydrophobicContact CD1-CE3 4.06Å; Y486-W523 HydrophobicContact CD1-CZ3 4.45Å; Y486-W523 HydrophobicContact CG-CE3 4.34Å; E487-W523 HydrophobicContact CB-CH2 4.09Å; E487-W523 HydrophobicContact CB-CZ3 4.33Å; E487-W523 WeakPolarHBondContact O-CH2 3.32Å; H489-W523 AromaticContact NE2-CE2 3.98Å; H489-W523 AromaticContact NE2-CZ2 3.63Å; H489-W523 AromaticContact NE2-NE1 3.71Å; L510-W523 WeakPolarHBondContact CA-O 3.32Å; L510-W523 WeakPolarHBondContact CD2-O 3.38Å; F511-W523 HydrophobicContact CD1-CB 3.87Å; F511-W523 HydrophobicContact CD2-CB 3.78Å; F511-W523 AromaticContact CD2-CD1 3.83Å; F511-W523 HydrophobicContact CD2-CG 4.05Å; F511-W523 HydrophobicContact CE1-CB 3.41Å; F511-W523 VanDerWaalsContact CE1-CB 3.41Å; F511-W523 HydrophobicContact CE1-CG 4.32Å; F511-W523 HydrophobicContact CE2-CB 3.3Å; F511-W523 AromaticContact CE2-CD1 3.4Å; F511-W523 HydrophobicContact CE2-CD2 4.26Å; F511-W523 AromaticContact CE2-CG 3.37Å; F511-W523 HydrophobicContact CE2-CG 3.37Å; F511-W523 HydrophobicContact CG-CB 4.05Å; F511-W523 HydrophobicContact CZ-CB 3.13Å; F511-W523 HydrophobicContact CZ-CD2 4.29Å; F511-W523 AromaticContact CZ-CG 3.56Å; F511-W523 HydrophobicContact CZ-CG 3.56Å; F511-W523 PolarHBondContact N-O 3.05Å; F511-W523 VanDerWaalsContact N-O 3.12Å; F511-W523 PolarHBondContact O-N 3.36Å; T513-W523 PolarHBondContact OG1-NE1 2.89Å; K521-W523 HydrophobicContact CB-CZ2 4.03Å; K521-W523 HydrophobicContact CD-CH2 4.5Å; K521-W523 HydrophobicContact CD-CZ2 3.81Å; K521-W523 VanDerWaalsContact O-CD1 3.29Å; W523-K529 VanDerWaalsContact CZ3-C 3.4Å; W523-P530 HydrophobicContact CD2-CB 4.08Å; W523-P530 HydrophobicContact CE3-CB 3.89Å; W523-P530 HydrophobicContact CH2-CB 3.68Å; W523-P530 HydrophobicContact CH2-CG 3.88Å; W523-P530 HydrophobicContact CZ2-CB 3.88Å; W523-P530 HydrophobicContact CZ2-CG 4.44Å; W523-P530 VanDerWaalsContact CZ3-CA 3.48Å; W523-P530 HydrophobicContact CZ3-CB 3.69Å; W523-P530 HydrophobicContact CZ3-CG 4.02Å
524	S	86.2	Confident	86.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.8	169.8	-148.2	0	0	0	0	108.7	H509 K526 D527	H509-S524 PolarHBondContact CD2-OG 3.32Å; H509-S524 PolarHBondContact NE2-OG 2.57Å; H509-S524 CarbonylContact O-C 3.57Å; S524-K526 PolarHBondContact O-N 3.05Å; S524-D527 PolarHBondContact O-N 3.39Å; S524-D527 VanDerWaalsContact O-N 3.14Å
525	L	80.1	Confident	86.3	Confident	30 Å²	30	44.6 Å²	44.6	16%	0.157	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.8	173.6	-75.8	176.3	0	0	0	112.7	P454 V462 Y486 H509 F511	P454-L525 HydrophobicContact CG-CD1 4Å; V462-L525 HydrophobicContact CG2-CD2 3.68Å; Y486-L525 WeakPolarHBondContact OH-CA 3.46Å; Y486-L525 WeakPolarHBondContact OH-CD2 3.26Å; Y486-L525 PolarHBondContact OH-O 3.43Å; H509-L525 HydrophobicContact CB-CB 4.21Å; H509-L525 PolarHBondContact O-N 3.09Å; F511-L525 HydrophobicContact CD1-CD2 4Å; F511-L525 HydrophobicContact CD1-CG 4.09Å; F511-L525 HydrophobicContact CE1-CD2 3.77Å; F511-L525 HydrophobicContact CE1-CG 4.15Å
526	K	80.4	Confident	85.7	Confident	139 Å²	139	47.7 Å²	47.7	60%	0.604	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-23.9	-179.6	-63.1	175.9	-177.7	167.6	0	113.2	S524	S524-K526 PolarHBondContact O-N 3.05Å
527	D	81	Confident	85.1	Confident	63 Å²	63	45.3 Å²	45.3	34%	0.337	22%	0.22	S	C	.	.			trans	-119.4	130.7	-169.2	-61.1	-47.3	0	0	0	109.5	Y486 S524 K529 K636	Y486-D527 WeakPolarHBondContact CD1-O 3.5Å; Y486-D527 VanDerWaalsContact CE1-O 3.23Å; Y486-D527 WeakPolarHBondContact CE1-O 3.14Å; S524-D527 PolarHBondContact O-N 3.39Å; S524-D527 VanDerWaalsContact O-N 3.14Å; D527-K529 PolarHBondContact O-N 3.41Å; D527-K636 IonicContact OD2-NZ 3.94Å
528	T	79.4	Confident	84.6	Confident	74 Å²	74	48.3 Å²	48.3	45%	0.454	24%	0.242	S	C	.	.	S	Bend	trans	-77.3	-11.2	-177.9	59	0	0	0	0	113.6	E487	E487-T528 PolarHBondContact N-O 3.16Å; E487-T528 VanDerWaalsContact N-O 3.15Å
529	K	82.4	Confident	84.5	Confident	96 Å²	96	44.5 Å²	44.5	42%	0.417	23%	0.232	S	C	.	.	S	Bend	trans	-98.8	151.1	179.6	-67.5	-169.7	175.4	-176.6	0	110.8	W523 D527	W523-K529 VanDerWaalsContact CZ3-C 3.4Å; D527-K529 PolarHBondContact O-N 3.41Å
530	P	84.5	Confident	84.6	Confident	23 Å²	23	49.2 Å²	49.2	15%	0.149	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137	174.1	27.5	-31.2	0	0	0	108.9	E487 K521 L522 W523 Q639	E487-P530 WeakPolarHBondContact OE2-CD 3.29Å; K521-P530 HydrophobicContact CB-CB 4.21Å; K521-P530 HydrophobicContact CD-CB 3.97Å; K521-P530 HydrophobicContact CD-CG 4.24Å; K521-P530 HydrophobicContact CG-CB 4.45Å; L522-P530 CarbonylContact O-C 3.56Å; W523-P530 HydrophobicContact CD2-CB 4.08Å; W523-P530 HydrophobicContact CE3-CB 3.89Å; W523-P530 HydrophobicContact CH2-CB 3.68Å; W523-P530 HydrophobicContact CH2-CG 3.88Å; W523-P530 HydrophobicContact CZ2-CB 3.88Å; W523-P530 HydrophobicContact CZ2-CG 4.44Å; W523-P530 VanDerWaalsContact CZ3-CA 3.48Å; W523-P530 HydrophobicContact CZ3-CB 3.69Å; W523-P530 HydrophobicContact CZ3-CG 4.02Å; P530-Q639 PolarHBondContact O-NE2 2.74Å
531	L	86.1	Confident	84.5	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-40.7	174.6	-65.5	179.2	0	0	0	111.1	L510 L522 L632 I635 K636	L510-L531 HydrophobicContact CD2-CD1 3.61Å; L522-L531 HydrophobicContact CD2-CB 4.47Å; L522-L531 HydrophobicContact CD2-CD1 4.42Å; L522-L531 HydrophobicContact CG-CB 4.36Å; L522-L531 HydrophobicContact CG-CD1 4.31Å; L522-L531 PolarHBondContact O-N 2.82Å; L531-L632 HydrophobicContact CD1-CD1 3.99Å; L531-I635 HydrophobicContact CB-CG2 4.49Å; L531-I635 VanDerWaalsContact O-CG2 3.28Å; L531-I635 WeakPolarHBondContact O-CG2 3.44Å; L531-K636 HydrophobicContact CD2-CD 4.46Å; L531-K636 HydrophobicContact CD2-CG 3.93Å
532	Y	85.8	Confident	84.5	Confident	57 Å²	57	50.4 Å²	50.4	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	147.9	-178.6	-165.3	-103.3	0	0	0	110.9	K521 L522 F534 T572 I635	K521-Y532 CarbonylContact C-O 3.56Å; K521-Y532 WeakPolarHBondContact CA-O 3.4Å; L522-Y532 PolarHBondContact N-O 3.04Å; L522-Y532 PolarHBondContact O-N 2.87Å; Y532-F534 AromaticContact CD1-CD1 3.73Å; Y532-F534 HydrophobicContact CD1-CD1 3.73Å; Y532-F534 HydrophobicContact CD1-CD2 4.08Å; Y532-F534 AromaticContact CD1-CE1 3.44Å; Y532-F534 HydrophobicContact CD1-CE1 3.44Å; Y532-F534 VanDerWaalsContact CD1-CE1 3.44Å; Y532-F534 AromaticContact CD1-CE2 3.83Å; Y532-F534 HydrophobicContact CD1-CE2 3.83Å; Y532-F534 HydrophobicContact CD1-CG 4.02Å; Y532-F534 AromaticContact CD1-CZ 3.48Å; Y532-F534 HydrophobicContact CD1-CZ 3.48Å; Y532-F534 VanDerWaalsContact CD1-CZ 3.48Å; Y532-F534 AromaticContact CE1-CD1 3.47Å; Y532-F534 HydrophobicContact CE1-CD1 3.47Å; Y532-F534 VanDerWaalsContact CE1-CD1 3.47Å; Y532-F534 AromaticContact CE1-CE1 3.41Å; Y532-F534 HydrophobicContact CE1-CE1 3.41Å; Y532-F534 VanDerWaalsContact CE1-CE1 3.41Å; Y532-F534 HydrophobicContact CE1-CG 4.06Å; Y532-F534 AromaticContact CE1-CZ 3.98Å; Y532-F534 HydrophobicContact CE1-CZ 3.98Å; Y532-T572 WeakPolarHBondContact CE1-O 3.4Å; Y532-T572 PolarHBondContact OH-O 3.39Å; Y532-T572 PolarHBondContact OH-OG1 3.48Å; Y532-I635 HydrophobicContact CD2-CG2 4.38Å
533	S	87.8	Confident	84.6	Confident	49 Å²	49	51 Å²	51	34%	0.343	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.2	174.5	51	0	0	0	0	110.1	I520	I520-S533 CarbonylContact O-C 3.58Å; I520-S533 WeakPolarHBondContact O-CA 3.44Å
534	F	87	Confident	84.7	Confident	3 Å²	3	51.1 Å²	51.1	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.3	173.4	-53.7	-85.9	0	0	0	108.9	L512 T519 I520 L522 Y532 F554 W566 L568 T572	L512-F534 HydrophobicContact CD2-CE2 4.11Å; T519-F534 WeakPolarHBondContact CA-O 3.35Å; I520-F534 HydrophobicContact CB-CB 4.16Å; I520-F534 HydrophobicContact CB-CD2 3.98Å; I520-F534 HydrophobicContact CB-CG 4.49Å; I520-F534 HydrophobicContact CG2-CD2 4.04Å; I520-F534 PolarHBondContact N-O 2.87Å; I520-F534 VanDerWaalsContact N-O 3.08Å; I520-F534 WeakPolarHBondContact O-CD2 3.35Å; I520-F534 PolarHBondContact O-N 2.87Å; L522-F534 HydrophobicContact CB-CE2 4.24Å; Y532-F534 AromaticContact CD1-CD1 3.73Å; Y532-F534 HydrophobicContact CD1-CD1 3.73Å; Y532-F534 HydrophobicContact CD1-CD2 4.08Å; Y532-F534 AromaticContact CD1-CE1 3.44Å; Y532-F534 HydrophobicContact CD1-CE1 3.44Å; Y532-F534 VanDerWaalsContact CD1-CE1 3.44Å; Y532-F534 AromaticContact CD1-CE2 3.83Å; Y532-F534 HydrophobicContact CD1-CE2 3.83Å; Y532-F534 HydrophobicContact CD1-CG 4.02Å; Y532-F534 AromaticContact CD1-CZ 3.48Å; Y532-F534 HydrophobicContact CD1-CZ 3.48Å; Y532-F534 VanDerWaalsContact CD1-CZ 3.48Å; Y532-F534 AromaticContact CE1-CD1 3.47Å; Y532-F534 HydrophobicContact CE1-CD1 3.47Å; Y532-F534 VanDerWaalsContact CE1-CD1 3.47Å; Y532-F534 AromaticContact CE1-CE1 3.41Å; Y532-F534 HydrophobicContact CE1-CE1 3.41Å; Y532-F534 VanDerWaalsContact CE1-CE1 3.41Å; Y532-F534 HydrophobicContact CE1-CG 4.06Å; Y532-F534 AromaticContact CE1-CZ 3.98Å; Y532-F534 HydrophobicContact CE1-CZ 3.98Å; F534-F554 HydrophobicContact CD1-CZ 4.34Å; F534-F554 HydrophobicContact CD2-CZ 4.06Å; F534-F554 HydrophobicContact CE1-CE1 4.37Å; F534-F554 HydrophobicContact CE1-CZ 4.08Å; F534-F554 HydrophobicContact CE2-CE1 4.13Å; F534-F554 AromaticContact CE2-CZ 3.77Å; F534-F554 HydrophobicContact CE2-CZ 3.77Å; F534-F554 HydrophobicContact CG-CZ 4.36Å; F534-F554 AromaticContact CZ-CE1 3.89Å; F534-F554 HydrophobicContact CZ-CE1 3.89Å; F534-F554 AromaticContact CZ-CZ 3.8Å; F534-F554 HydrophobicContact CZ-CZ 3.8Å; F534-W566 HydrophobicContact CB-CH2 4.44Å; F534-W566 HydrophobicContact CD1-CD2 4.46Å; F534-W566 AromaticContact CD1-CE3 3.87Å; F534-W566 HydrophobicContact CD1-CE3 3.87Å; F534-W566 HydrophobicContact CD1-CH2 4.28Å; F534-W566 AromaticContact CD1-CZ3 3.77Å; F534-W566 HydrophobicContact CD1-CZ3 3.77Å; F534-W566 HydrophobicContact CE1-CE3 4.2Å; F534-W566 HydrophobicContact CE1-CZ3 4.42Å; F534-L568 HydrophobicContact CE1-CD2 4.32Å; F534-L568 HydrophobicContact CZ-CD2 3.67Å; F534-L568 HydrophobicContact CZ-CG 4.47Å; F534-T572 WeakPolarHBondContact CD1-O 3.23Å; F534-T572 WeakPolarHBondContact CE1-O 3.43Å
535	E	83.9	Confident	85	Confident	145 Å²	145	51.7 Å²	51.7	68%	0.678	26%	0.264	S	S	*	.			trans	-123.9	19.7	-175.5	-57.4	-168.2	161.8	0	0	113.5	T519 N537	T519-E535 HydrophobicContact CG2-CG 3.97Å; E535-N537 VanDerWaalsContact C-N 3.32Å; E535-N537 PolarHBondContact O-N 2.75Å
536	D	77.4	Confident	85.4	Confident	66 Å²	66	50.7 Å²	50.7	35%	0.353	26%	0.259	S	S	.	.			trans	-78.9	-12	-178.9	-170.8	62.7	0	0	0	114.1	R562 W566 P575	D536-R562 IonicContact OD2-NH1 3.85Å; D536-R562 IonicContact OD2-NH2 2.76Å; D536-W566 HydrophobicContact CB-CH2 3.62Å; D536-W566 HydrophobicContact CB-CZ2 3.96Å; D536-P575 WeakPolarHBondContact OD2-CD 3.39Å; D536-P575 WeakPolarHBondContact OD2-CG 3.43Å
537	N	78.3	Confident	85.8	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.059	23%	0.23	C	C	.	.			trans	-75.1	141	-171.4	-63.1	-14.7	0	0	0	111.5	E535 V541	E535-N537 VanDerWaalsContact C-N 3.32Å; E535-N537 PolarHBondContact O-N 2.75Å; N537-V541 HydrophobicContact CB-CG2 3.99Å; N537-V541 WeakPolarHBondContact ND2-CG2 3.39Å
538	S	77.9	Confident	85.9	Confident	86 Å²	86	42.4 Å²	42.4	60%	0.601	22%	0.222	S	C	*	.	S	Bend	trans	-90.2	-14.9	-172.2	63.1	0	0	0	0	113.9
539	D	86.9	Confident	86.1	Confident	48 Å²	48	41.2 Å²	41.2	26%	0.257	22%	0.215	S	C	.	.	S	Bend	trans	-150.5	-176.2	-176.5	-154.9	-7.6	0	0	0	111.2	V541	D539-V541 PolarHBondContact O-N 3.32Å
540	Y	90.2	Very high	86.1	Confident	110 Å²	110	36.7 Å²	36.7	43%	0.431	20%	0.195	S	C	.	.			trans	-55.6	121.1	-179.3	-57	-45.2	0	0	0	112.4	I516 W518 M542 D558 G559	I516-Y540 HydrophobicContact CB-CD1 4.42Å; I516-Y540 HydrophobicContact CG2-CD1 3.39Å; I516-Y540 HydrophobicContact CG2-CE1 3.67Å; I516-Y540 HydrophobicContact CG2-CG 3.96Å; I516-Y540 WeakPolarHBondContact O-CD1 3.26Å; W518-Y540 AromaticContact CD1-CD1 3.57Å; W518-Y540 VanDerWaalsContact CD1-N 3.34Å; W518-Y540 HydrophobicContact CZ2-CE1 4.45Å; W518-Y540 AromaticContact NE1-CD1 3.14Å; W518-Y540 AromaticContact NE1-CE1 3.28Å; W518-Y540 VanDerWaalsContact NE1-CE1 3.28Å; Y540-M542 PolarHBondContact O-N 3.11Å; Y540-D558 CarbonylContact O-C 3.59Å; Y540-D558 WeakPolarHBondContact O-CA 3.43Å; Y540-G559 PolarHBondContact O-N 3.46Å
541	V	91.1	Very high	85.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.9	174.7	-166.2	0	0	0	0	108.4	T494 I520 N537 D539 V557	T494-V541 PolarHBondContact OG1-O 3.15Å; I520-V541 HydrophobicContact CD1-CG1 4.2Å; I520-V541 HydrophobicContact CG1-CG1 4.04Å; I520-V541 HydrophobicContact CG1-CG2 4.33Å; N537-V541 HydrophobicContact CB-CG2 3.99Å; N537-V541 WeakPolarHBondContact ND2-CG2 3.39Å; D539-V541 PolarHBondContact O-N 3.32Å; V541-V557 WeakPolarHBondContact CA-O 3.16Å
542	M	90.5	Very high	85.8	Confident	52 Å²	52	35.3 Å²	35.3	26%	0.256	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-35.3	-174.4	-64.3	-59.8	-171.3	0	0	112.5	T494 Y540 V557 L587	T494-M542 WeakPolarHBondContact CB-O 3.39Å; T494-M542 PolarHBondContact OG1-O 3.34Å; T494-M542 VanDerWaalsContact OG1-O 3.13Å; Y540-M542 PolarHBondContact O-N 3.11Å; M542-V557 PolarHBondContact N-O 3.21Å; M542-L587 WeakPolarHBondContact CB-O 3.26Å; M542-L587 WeakPolarHBondContact CG-O 3.39Å
543	D	90.5	Very high	85.9	Confident	12 Å²	12	32.6 Å²	32.6	6%	0.064	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.2	-179.7	-157.1	9.2	0	0	0	111.9	V557 R589 V590	D543-V557 PolarHBondContact O-N 3.43Å; D543-V557 VanDerWaalsContact O-N 3.1Å; D543-R589 WeakPolarHBondContact OD2-CA 3.29Å; D543-R589 WeakPolarHBondContact OD2-CD 3.29Å; D543-V590 HydrophobicContact CB-CG1 3.96Å; D543-V590 PolarHBondContact OD2-N 3.05Å
544	V	91.9	Very high	86	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.4	177.5	64.7	0	0	0	0	109.2	S497 L512 I520 F554 A555	S497-V544 WeakPolarHBondContact CB-O 3.45Å; L512-V544 HydrophobicContact CB-CG1 4.26Å; L512-V544 HydrophobicContact CB-CG2 4.18Å; L512-V544 HydrophobicContact CD1-CG2 3.98Å; I520-V544 HydrophobicContact CG2-CG2 4.37Å; V544-F554 HydrophobicContact CG2-CD2 3.97Å; V544-A555 WeakPolarHBondContact CA-O 3.39Å; V544-A555 WeakPolarHBondContact CG2-O 3.22Å
545	A	91	Very high	86.2	Confident	12 Å²	12	30.1 Å²	30.1	10%	0.099	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.2	174.8	0	0	0	0	0	111.4	F554 A555 V590 W592	A545-F554 WeakPolarHBondContact O-CA 3.45Å; A545-A555 PolarHBondContact N-O 3.22Å; A545-A555 PolarHBondContact O-N 3.02Å; A545-V590 HydrophobicContact CB-CG1 3.78Å; A545-W592 PolarHBondContact O-NE1 3.18Å
546	W	90.5	Very high	86.6	Confident	9 Å²	9	23.2 Å²	23.2	3%	0.034	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.9	168.8	-88.2	96.3	0	0	0	111.6	S497 H499 L512 L522 P551 L553 F554 L568 F628	S497-W546 PolarHBondContact OG-N 2.95Å; H499-W546 AromaticContact CD2-CE3 3.73Å; H499-W546 AromaticContact CD2-CH2 3.94Å; H499-W546 AromaticContact CD2-CZ3 3.69Å; L512-W546 HydrophobicContact CD1-CD2 4.08Å; L512-W546 HydrophobicContact CD1-CG 4.2Å; L512-W546 HydrophobicContact CD1-CZ2 3.86Å; L512-W546 HydrophobicContact CG-CZ2 4.03Å; L522-W546 HydrophobicContact CD1-CZ2 4.12Å; W546-P551 WeakPolarHBondContact CH2-O 3.14Å; W546-P551 WeakPolarHBondContact CZ3-O 3.36Å; W546-L553 VanDerWaalsContact CE3-O 3.31Å; W546-F554 HydrophobicContact CD2-CB 4.26Å; W546-F554 HydrophobicContact CE3-CB 4.38Å; W546-F554 HydrophobicContact CG-CB 4.47Å; W546-L568 HydrophobicContact CH2-CD1 3.33Å; W546-L568 HydrophobicContact CZ2-CD1 4Å; W546-L568 HydrophobicContact CZ3-CD1 4.11Å; W546-F628 HydrophobicContact CH2-CZ 4.27Å
547	S	88	Confident	87.2	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	11%	0.11	C	C	.	.			trans	-65.5	136	166.6	179	0	0	0	0	109.9	V549 H550 L553	S547-V549 VanDerWaalsContact C-N 3.25Å; S547-V549 PolarHBondContact O-N 3.33Å; S547-V549 PolarHBondContact OG-N 3.4Å; S547-H550 PolarHBondContact OG-N 3.34Å; S547-L553 VanDerWaalsContact CB-O 3.29Å; S547-L553 WeakPolarHBondContact CB-O 3.32Å; S547-L553 PolarHBondContact N-O 2.67Å
548	P	82.9	Confident	87.8	Confident	26 Å²	26	19.6 Å²	19.6	17%	0.169	11%	0.107	C	C	.	.	S	Bend	trans	-78.1	-10.4	176	29	-31.1	0	0	0	113.6	Y500 W592 T593	Y500-P548 HydrophobicContact CD1-CB 3.76Å; Y500-P548 HydrophobicContact CE1-CB 4.34Å; Y500-P548 HydrophobicContact CG-CB 4.27Å; P548-W592 HydrophobicContact CG-CB 4.26Å; P548-T593 WeakPolarHBondContact CG-O 3.33Å
549	V	83.1	Confident	88.2	Confident	49 Å²	49	16.1 Å²	16.1	30%	0.297	9%	0.085	S	C	.	.	S	Bend	trans	-112.2	-44.7	-174.1	-175.6	0	0	0	0	111.5	S547 S595 P620	S547-V549 VanDerWaalsContact C-N 3.25Å; S547-V549 PolarHBondContact O-N 3.33Å; S547-V549 PolarHBondContact OG-N 3.4Å; V549-S595 WeakPolarHBondContact CG2-O 3.41Å; V549-P620 HydrophobicContact CG1-CG 4.46Å; V549-P620 WeakPolarHBondContact O-CG 3.44Å
550	H	82.8	Confident	88.1	Confident	2 Å²	2	15.6 Å²	15.6	1%	0.009	9%	0.085	C	C	.	.			trans	-99	127.9	-177.1	-178.4	-72.4	0	0	0	112	S547 A552 L553 L617 E624	S547-H550 PolarHBondContact OG-N 3.34Å; H550-A552 VanDerWaalsContact C-N 3.34Å; H550-A552 PolarHBondContact ND1-N 3.42Å; H550-A552 PolarHBondContact O-N 3.13Å; H550-L553 HydrophobicContact CB-CB 3.84Å; H550-L553 HydrophobicContact CB-CD2 4.29Å; H550-L553 WeakPolarHBondContact ND1-CB 3.5Å; H550-L553 PolarHBondContact ND1-N 3.33Å; H550-L553 PolarHBondContact O-N 3.13Å; H550-L617 PolarHBondContact CD2-O 3.38Å; H550-E624 IonicContact CD2-OE2 3.18Å; H550-E624 PolarHBondContact CD2-OE2 3.13Å; H550-E624 IonicContact NE2-OE1 2.78Å; H550-E624 IonicContact NE2-OE2 2.78Å; H550-E624 PolarHBondContact NE2-OE2 3.29Å
551	P	81	Confident	87.9	Confident	1 Å²	1	10.4 Å²	10.4	1%	0.006	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.1	-169.1	27.6	-35.3	0	0	0	116.8	H499 W546 W625	H499-P551 PolarHBondContact CD2-O 2.69Å; H499-P551 WeakPolarHBondContact NE2-CA 3.13Å; H499-P551 PolarHBondContact NE2-O 3.34Å; H499-P551 VanDerWaalsContact NE2-O 3.1Å; W546-P551 WeakPolarHBondContact CH2-O 3.14Å; W546-P551 WeakPolarHBondContact CZ3-O 3.36Å; P551-W625 HydrophobicContact CB-CD2 4.1Å; P551-W625 HydrophobicContact CB-CE3 3.7Å; P551-W625 HydrophobicContact CB-CH2 3.48Å; P551-W625 VanDerWaalsContact CB-CH2 3.48Å; P551-W625 HydrophobicContact CB-CZ2 3.91Å; P551-W625 HydrophobicContact CB-CZ3 3.4Å; P551-W625 HydrophobicContact CG-CD2 3.86Å; P551-W625 HydrophobicContact CG-CE3 3.98Å; P551-W625 HydrophobicContact CG-CG 4.42Å; P551-W625 HydrophobicContact CG-CH2 4.03Å; P551-W625 HydrophobicContact CG-CZ2 3.93Å; P551-W625 HydrophobicContact CG-CZ3 4.09Å
552	A	83.9	Confident	87.8	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	5.5	-176.7	0	0	0	0	0	112.3	H550 N567 L568 N569 F628	H550-A552 VanDerWaalsContact C-N 3.34Å; H550-A552 PolarHBondContact ND1-N 3.42Å; H550-A552 PolarHBondContact O-N 3.13Å; A552-N567 WeakPolarHBondContact O-CA 3.37Å; A552-L568 HydrophobicContact CB-CB 3.88Å; A552-L568 PolarHBondContact O-N 3.04Å; A552-N569 HydrophobicContact CB-CB 4.29Å; A552-N569 WeakPolarHBondContact CB-ND2 3.31Å; A552-F628 HydrophobicContact CB-CD2 3.7Å; A552-F628 HydrophobicContact CB-CE2 4.12Å; A552-F628 HydrophobicContact CB-CG 4.21Å
553	L	87.8	Confident	87.8	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.4	-173.6	-178.2	67.9	0	0	0	110.1	W546 S547 H550 L565 W566 W592 L617	W546-L553 VanDerWaalsContact CE3-O 3.31Å; S547-L553 VanDerWaalsContact CB-O 3.29Å; S547-L553 WeakPolarHBondContact CB-O 3.32Å; S547-L553 PolarHBondContact N-O 2.67Å; H550-L553 HydrophobicContact CB-CB 3.84Å; H550-L553 HydrophobicContact CB-CD2 4.29Å; H550-L553 WeakPolarHBondContact ND1-CB 3.5Å; H550-L553 PolarHBondContact ND1-N 3.33Å; H550-L553 PolarHBondContact O-N 3.13Å; L553-L565 HydrophobicContact CD1-CB 4.44Å; L553-W566 WeakPolarHBondContact CA-O 2.85Å; L553-W566 WeakPolarHBondContact CD1-O 3.43Å; L553-W592 HydrophobicContact CD2-CH2 3.63Å; L553-W592 HydrophobicContact CD2-CZ2 4.28Å; L553-W592 HydrophobicContact CD2-CZ3 4.26Å; L553-W592 HydrophobicContact CG-CH2 4.05Å; L553-W592 HydrophobicContact CG-CZ2 4.21Å; L553-L617 HydrophobicContact CD1-CD1 4.25Å; L553-L617 HydrophobicContact CD1-CD2 4.18Å; L553-L617 HydrophobicContact CD1-CG 4.07Å; L553-L617 HydrophobicContact CD2-CG 4.2Å
554	F	90.1	Very high	87.7	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.2	170.1	67	-91.2	0	0	0	111.4	L512 I520 F534 V544 A545 W546 W566 L568	L512-F554 HydrophobicContact CD1-CB 3.55Å; L512-F554 HydrophobicContact CD1-CD1 3.63Å; L512-F554 HydrophobicContact CD1-CD2 3.69Å; L512-F554 HydrophobicContact CD1-CE1 4.17Å; L512-F554 HydrophobicContact CD1-CE2 4.23Å; L512-F554 HydrophobicContact CD1-CG 3.35Å; L512-F554 HydrophobicContact CD1-CZ 4.44Å; I520-F554 HydrophobicContact CD1-CE2 4.17Å; I520-F554 HydrophobicContact CG2-CE2 4.4Å; F534-F554 HydrophobicContact CD1-CZ 4.34Å; F534-F554 HydrophobicContact CD2-CZ 4.06Å; F534-F554 HydrophobicContact CE1-CE1 4.37Å; F534-F554 HydrophobicContact CE1-CZ 4.08Å; F534-F554 HydrophobicContact CE2-CE1 4.13Å; F534-F554 AromaticContact CE2-CZ 3.77Å; F534-F554 HydrophobicContact CE2-CZ 3.77Å; F534-F554 HydrophobicContact CG-CZ 4.36Å; F534-F554 AromaticContact CZ-CE1 3.89Å; F534-F554 HydrophobicContact CZ-CE1 3.89Å; F534-F554 AromaticContact CZ-CZ 3.8Å; F534-F554 HydrophobicContact CZ-CZ 3.8Å; V544-F554 HydrophobicContact CG2-CD2 3.97Å; A545-F554 WeakPolarHBondContact O-CA 3.45Å; W546-F554 HydrophobicContact CD2-CB 4.26Å; W546-F554 HydrophobicContact CE3-CB 4.38Å; W546-F554 HydrophobicContact CG-CB 4.47Å; F554-W566 HydrophobicContact CD1-CB 3.72Å; F554-W566 HydrophobicContact CD2-CB 3.85Å; F554-W566 AromaticContact CD2-CD1 3.88Å; F554-W566 HydrophobicContact CD2-CG 4.06Å; F554-W566 HydrophobicContact CE1-CB 3.3Å; F554-W566 AromaticContact CE1-CG 4Å; F554-W566 HydrophobicContact CE1-CG 4Å; F554-W566 HydrophobicContact CE2-CB 3.45Å; F554-W566 VanDerWaalsContact CE2-CB 3.45Å; F554-W566 AromaticContact CE2-CD1 3.28Å; F554-W566 HydrophobicContact CE2-CD2 4.16Å; F554-W566 AromaticContact CE2-CG 3.33Å; F554-W566 HydrophobicContact CE2-CG 3.33Å; F554-W566 HydrophobicContact CG-CB 3.99Å; F554-W566 HydrophobicContact CZ-CB 3.16Å; F554-W566 AromaticContact CZ-CD1 3.78Å; F554-W566 AromaticContact CZ-CD2 3.89Å; F554-W566 HydrophobicContact CZ-CD2 3.89Å; F554-W566 HydrophobicContact CZ-CE3 4.47Å; F554-W566 AromaticContact CZ-CG 3.3Å; F554-W566 HydrophobicContact CZ-CG 3.3Å; F554-W566 PolarHBondContact N-O 2.88Å; F554-W566 PolarHBondContact O-N 2.9Å; F554-L568 HydrophobicContact CD1-CD1 3.98Å; F554-L568 HydrophobicContact CD1-CG 4.47Å; F554-L568 HydrophobicContact CE1-CD1 3.96Å; F554-L568 HydrophobicContact CE1-CG 4.05Å
555	A	91	Very high	87.6	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.1	173.7	0	0	0	0	0	109.6	V544 A545 L563 D564 L565 V590 W592 V599	V544-A555 WeakPolarHBondContact CA-O 3.39Å; V544-A555 WeakPolarHBondContact CG2-O 3.22Å; A545-A555 PolarHBondContact N-O 3.22Å; A545-A555 PolarHBondContact O-N 3.02Å; A555-L563 HydrophobicContact CB-CD1 4.22Å; A555-D564 CarbonylContact C-O 3.48Å; A555-D564 WeakPolarHBondContact CA-O 3.11Å; A555-L565 HydrophobicContact CB-CD2 3.62Å; A555-V590 HydrophobicContact CB-CG2 3.88Å; A555-W592 HydrophobicContact CB-CZ2 3.69Å; A555-V599 HydrophobicContact CB-CG1 4.49Å
556	A	91.4	Very high	87.5	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.3	174.9	0	0	0	0	0	110	I520 D564	I520-A556 HydrophobicContact CD1-CB 3.32Å; A556-D564 PolarHBondContact N-O 3.22Å; A556-D564 PolarHBondContact O-N 3.05Å
557	V	90.6	Very high	87.3	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.5	-174.6	166.4	0	0	0	0	110.7	V541 M542 D543 L563 L587 V590 I601	V541-V557 WeakPolarHBondContact CA-O 3.16Å; M542-V557 PolarHBondContact N-O 3.21Å; D543-V557 PolarHBondContact O-N 3.43Å; D543-V557 VanDerWaalsContact O-N 3.1Å; V557-L563 HydrophobicContact CG2-CD1 3.55Å; V557-L587 HydrophobicContact CG1-CB 3.07Å; V557-L587 HydrophobicContact CG1-CD1 3.75Å; V557-L587 HydrophobicContact CG1-CG 4.04Å; V557-V590 HydrophobicContact CB-CB 4.37Å; V557-V590 HydrophobicContact CG2-CB 3.61Å; V557-V590 HydrophobicContact CG2-CG1 4.25Å; V557-V590 HydrophobicContact CG2-CG2 3.87Å; V557-I601 HydrophobicContact CG1-CG2 4.45Å; V557-I601 HydrophobicContact CG2-CG2 4.36Å
558	D	90.3	Very high	87.1	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	153	-178.7	-75.2	0.4	0	0	0	112.3	Y540 S560 G561 R562	Y540-D558 CarbonylContact O-C 3.59Å; Y540-D558 WeakPolarHBondContact O-CA 3.43Å; D558-S560 PolarHBondContact O-N 2.95Å; D558-S560 VanDerWaalsContact O-N 3.16Å; D558-G561 PolarHBondContact O-N 2.87Å; D558-R562 HydrophobicContact CB-CB 4.14Å; D558-R562 PolarHBondContact N-O 3.5Å
559	G	85.8	Confident	87.1	Confident	13 Å²	13	8.4 Å²	8.4	13%	0.134	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.3	173.6	0	0	0	0	0	114.9	Y540 A586	Y540-G559 PolarHBondContact O-N 3.46Å; G559-A586 VanDerWaalsContact O-CA 3.24Å; G559-A586 WeakPolarHBondContact O-CA 3.23Å; G559-A586 WeakPolarHBondContact O-CB 2.98Å
560	S	86	Confident	87	Confident	38 Å²	38	10.8 Å²	10.8	27%	0.266	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.4	176.8	66.1	0	0	0	0	114	D558	D558-S560 PolarHBondContact O-N 2.95Å; D558-S560 VanDerWaalsContact O-N 3.16Å
561	G	85.5	Confident	86.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	92.5	10.2	-177.2	0	0	0	0	0	114.8	D558 V581 P585 L587	D558-G561 PolarHBondContact O-N 2.87Å; G561-V581 WeakPolarHBondContact O-CG2 3.25Å; G561-V581 PolarHBondContact O-N 2.76Å; G561-P585 VanDerWaalsContact CA-O 3.23Å; G561-P585 WeakPolarHBondContact CA-O 3.46Å; G561-P585 PolarHBondContact N-O 2.84Å; G561-L587 VanDerWaalsContact C-CD1 3.41Å
562	R	88.9	Confident	86.4	Confident	43 Å²	43	17.2 Å²	17.2	16%	0.162	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.6	-179.9	-165.3	-177.8	-178	-140.5	6.6	110.9	D536 D558 D564 S578 I579 V580	D536-R562 IonicContact OD2-NH1 3.85Å; D536-R562 IonicContact OD2-NH2 2.76Å; D558-R562 HydrophobicContact CB-CB 4.14Å; D558-R562 PolarHBondContact N-O 3.5Å; R562-D564 WeakPolarHBondContact CD-OD1 3.26Å; R562-D564 VanDerWaalsContact CD-OD2 3.28Å; R562-D564 WeakPolarHBondContact CD-OD2 2.96Å; R562-D564 VanDerWaalsContact CZ-CG 3.44Å; R562-D564 IonicContact CZ-OD1 2.77Å; R562-D564 IonicContact CZ-OD2 3Å; R562-D564 IonicContact NE-OD1 3.58Å; R562-D564 PolarHBondContact NE-OD1 3.19Å; R562-D564 IonicContact NE-OD2 3.93Å; R562-D564 PolarHBondContact NE-OD2 3.42Å; R562-D564 IonicContact NH1-OD1 3.89Å; R562-D564 PolarHBondContact NH1-OD1 2.98Å; R562-D564 IonicContact NH1-OD2 3.99Å; R562-D564 PolarHBondContact NH1-OD2 3.13Å; R562-D564 IonicContact NH2-OD1 2.72Å; R562-D564 PolarHBondContact NH2-OD1 2.83Å; R562-S578 VanDerWaalsContact CZ-OG 3.31Å; R562-S578 PolarHBondContact NE-OG 3.43Å; R562-S578 PolarHBondContact NH2-OG 3.08Å; R562-I579 CarbonylContact C-O 3.55Å; R562-I579 WeakPolarHBondContact CA-O 3.49Å; R562-V580 HydrophobicContact CG-CG2 4.48Å
563	L	89.8	Confident	86.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.6	164.8	174.6	69.7	0	0	0	108	L279 A555 V557 S578 I579 V590 V599 I601 Y611	L279-L563 HydrophobicContact CD1-CD2 4.12Å; A555-L563 HydrophobicContact CB-CD1 4.22Å; V557-L563 HydrophobicContact CG2-CD1 3.55Å; L563-S578 WeakPolarHBondContact O-CA 3.45Å; L563-I579 PolarHBondContact N-O 2.86Å; L563-I579 PolarHBondContact O-N 2.86Å; L563-V590 HydrophobicContact CD1-CG2 4.25Å; L563-V599 HydrophobicContact CD1-CG1 4.26Å; L563-V599 HydrophobicContact CD2-CG1 4.18Å; L563-I601 HydrophobicContact CB-CD1 3.64Å; L563-I601 HydrophobicContact CD1-CD1 3.85Å; L563-I601 HydrophobicContact CD1-CG1 4.32Å; L563-I601 HydrophobicContact CD2-CD1 3.67Å; L563-I601 HydrophobicContact CD2-CG1 4.4Å; L563-I601 HydrophobicContact CG-CD1 3.88Å; L563-Y611 HydrophobicContact CD2-CD2 4.09Å; L563-Y611 HydrophobicContact CD2-CG 4.31Å
564	D	90.1	Very high	85.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.9	177.4	-70.3	-40.4	0	0	0	110.9	A555 A556 R562 P575 S578	A555-D564 CarbonylContact C-O 3.48Å; A555-D564 WeakPolarHBondContact CA-O 3.11Å; A556-D564 PolarHBondContact N-O 3.22Å; A556-D564 PolarHBondContact O-N 3.05Å; R562-D564 WeakPolarHBondContact CD-OD1 3.26Å; R562-D564 VanDerWaalsContact CD-OD2 3.28Å; R562-D564 WeakPolarHBondContact CD-OD2 2.96Å; R562-D564 VanDerWaalsContact CZ-CG 3.44Å; R562-D564 IonicContact CZ-OD1 2.77Å; R562-D564 IonicContact CZ-OD2 3Å; R562-D564 IonicContact NE-OD1 3.58Å; R562-D564 PolarHBondContact NE-OD1 3.19Å; R562-D564 IonicContact NE-OD2 3.93Å; R562-D564 PolarHBondContact NE-OD2 3.42Å; R562-D564 IonicContact NH1-OD1 3.89Å; R562-D564 PolarHBondContact NH1-OD1 2.98Å; R562-D564 IonicContact NH1-OD2 3.99Å; R562-D564 PolarHBondContact NH1-OD2 3.13Å; R562-D564 IonicContact NH2-OD1 2.72Å; R562-D564 PolarHBondContact NH2-OD1 2.83Å; D564-P575 HydrophobicContact CB-CB 4.01Å; D564-S578 WeakPolarHBondContact OD1-CB 3.38Å; D564-S578 PolarHBondContact OD1-OG 3.4Å
565	L	89.8	Confident	85.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.3	169	-71.8	-172.3	0	0	0	110.1	L279 L553 A555 P575 T576 A577 W592 V613 L617	L279-L565 HydrophobicContact CD1-CD1 3.8Å; L279-L565 HydrophobicContact CD1-CG 3.93Å; L279-L565 HydrophobicContact CD2-CD1 3.38Å; L279-L565 HydrophobicContact CD2-CG 4.18Å; L279-L565 HydrophobicContact CG-CD1 3.65Å; L279-L565 HydrophobicContact CG-CG 4.33Å; L553-L565 HydrophobicContact CD1-CB 4.44Å; A555-L565 HydrophobicContact CB-CD2 3.62Å; L565-P575 CarbonylContact O-C 3.57Å; L565-T576 PolarHBondContact O-N 2.99Å; L565-A577 HydrophobicContact CB-CB 4.13Å; L565-A577 HydrophobicContact CD1-CB 4.48Å; L565-A577 PolarHBondContact N-O 2.91Å; L565-A577 PolarHBondContact O-N 3.11Å; L565-W592 HydrophobicContact CD2-CH2 3.73Å; L565-W592 HydrophobicContact CD2-CZ2 3.53Å; L565-V613 HydrophobicContact CD1-CG1 3.93Å; L565-V613 HydrophobicContact CD1-CG2 4.29Å; L565-L617 HydrophobicContact CD1-CD2 4.04Å
566	W	88.6	Confident	85.1	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	-177.2	-68.4	86.4	0	0	0	110	F534 D536 L553 F554 T572 V574 P575	F534-W566 HydrophobicContact CB-CH2 4.44Å; F534-W566 HydrophobicContact CD1-CD2 4.46Å; F534-W566 AromaticContact CD1-CE3 3.87Å; F534-W566 HydrophobicContact CD1-CE3 3.87Å; F534-W566 HydrophobicContact CD1-CH2 4.28Å; F534-W566 AromaticContact CD1-CZ3 3.77Å; F534-W566 HydrophobicContact CD1-CZ3 3.77Å; F534-W566 HydrophobicContact CE1-CE3 4.2Å; F534-W566 HydrophobicContact CE1-CZ3 4.42Å; D536-W566 HydrophobicContact CB-CH2 3.62Å; D536-W566 HydrophobicContact CB-CZ2 3.96Å; L553-W566 WeakPolarHBondContact CA-O 2.85Å; L553-W566 WeakPolarHBondContact CD1-O 3.43Å; F554-W566 HydrophobicContact CD1-CB 3.72Å; F554-W566 HydrophobicContact CD2-CB 3.85Å; F554-W566 AromaticContact CD2-CD1 3.88Å; F554-W566 HydrophobicContact CD2-CG 4.06Å; F554-W566 HydrophobicContact CE1-CB 3.3Å; F554-W566 AromaticContact CE1-CG 4Å; F554-W566 HydrophobicContact CE1-CG 4Å; F554-W566 HydrophobicContact CE2-CB 3.45Å; F554-W566 VanDerWaalsContact CE2-CB 3.45Å; F554-W566 AromaticContact CE2-CD1 3.28Å; F554-W566 HydrophobicContact CE2-CD2 4.16Å; F554-W566 AromaticContact CE2-CG 3.33Å; F554-W566 HydrophobicContact CE2-CG 3.33Å; F554-W566 HydrophobicContact CG-CB 3.99Å; F554-W566 HydrophobicContact CZ-CB 3.16Å; F554-W566 AromaticContact CZ-CD1 3.78Å; F554-W566 AromaticContact CZ-CD2 3.89Å; F554-W566 HydrophobicContact CZ-CD2 3.89Å; F554-W566 HydrophobicContact CZ-CE3 4.47Å; F554-W566 AromaticContact CZ-CG 3.3Å; F554-W566 HydrophobicContact CZ-CG 3.3Å; F554-W566 PolarHBondContact N-O 2.88Å; F554-W566 PolarHBondContact O-N 2.9Å; W566-T572 WeakPolarHBondContact CZ3-O 3.26Å; W566-V574 VanDerWaalsContact CZ3-C 3.49Å; W566-P575 HydrophobicContact CD2-CB 4.14Å; W566-P575 HydrophobicContact CH2-CB 4.45Å; W566-P575 HydrophobicContact CZ2-CB 4.04Å; W566-P575 HydrophobicContact CZ2-CG 4.24Å
567	N	87	Confident	84.6	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.7	170.1	-170.7	-12.7	0	0	0	109.9	A552 N569 Q570 D571 T576 L617	A552-N567 WeakPolarHBondContact O-CA 3.37Å; N567-N569 PolarHBondContact O-N 3.19Å; N567-N569 VanDerWaalsContact O-N 3.07Å; N567-N569 WeakPolarHBondContact OD1-CB 3.45Å; N567-N569 PolarHBondContact OD1-N 3.34Å; N567-N569 VanDerWaalsContact OD1-N 3.07Å; N567-Q570 HydrophobicContact CB-CB 4.34Å; N567-Q570 HydrophobicContact CB-CG 4.34Å; N567-Q570 PolarHBondContact O-N 3.12Å; N567-D571 PolarHBondContact O-N 3.09Å; N567-T576 HydrophobicContact CB-CG2 4.46Å; N567-T576 WeakPolarHBondContact CB-OG1 3.41Å; N567-T576 PolarHBondContact N-OG1 3.33Å; N567-L617 HydrophobicContact CB-CD1 4.4Å
568	L	83.6	Confident	84.3	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.8	179.5	-75.6	143.1	0	0	0	113.9	L522 F534 W546 A552 F554 F628	L522-L568 HydrophobicContact CD2-CD2 4.25Å; F534-L568 HydrophobicContact CE1-CD2 4.32Å; F534-L568 HydrophobicContact CZ-CD2 3.67Å; F534-L568 HydrophobicContact CZ-CG 4.47Å; W546-L568 HydrophobicContact CH2-CD1 3.33Å; W546-L568 HydrophobicContact CZ2-CD1 4Å; W546-L568 HydrophobicContact CZ3-CD1 4.11Å; A552-L568 HydrophobicContact CB-CB 3.88Å; A552-L568 PolarHBondContact O-N 3.04Å; F554-L568 HydrophobicContact CD1-CD1 3.98Å; F554-L568 HydrophobicContact CD1-CG 4.47Å; F554-L568 HydrophobicContact CE1-CD1 3.96Å; F554-L568 HydrophobicContact CE1-CG 4.05Å; L568-F628 HydrophobicContact CB-CD2 4.17Å; L568-F628 HydrophobicContact CB-CE2 3.8Å; L568-F628 HydrophobicContact CD1-CE2 3.84Å; L568-F628 HydrophobicContact CD1-CZ 4.31Å; L568-F628 HydrophobicContact CG-CE2 4.29Å
569	N	83	Confident	84	Confident	22 Å²	22	34.7 Å²	34.7	12%	0.118	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.4	178.3	-72.9	-19.7	0	0	0	113.8	A552 N567 E624 F628	A552-N569 HydrophobicContact CB-CB 4.29Å; A552-N569 WeakPolarHBondContact CB-ND2 3.31Å; N567-N569 PolarHBondContact O-N 3.19Å; N567-N569 VanDerWaalsContact O-N 3.07Å; N567-N569 WeakPolarHBondContact OD1-CB 3.45Å; N567-N569 PolarHBondContact OD1-N 3.34Å; N567-N569 VanDerWaalsContact OD1-N 3.07Å; N569-E624 PolarHBondContact ND2-O 2.93Å; N569-F628 WeakPolarHBondContact OD1-CA 3.46Å; N569-F628 VanDerWaalsContact OD1-CB 3.29Å; N569-F628 WeakPolarHBondContact OD1-CB 3.28Å; N569-F628 PolarHBondContact OD1-N 3.37Å
570	Q	79.7	Confident	84	Confident	98 Å²	98	38.7 Å²	38.7	46%	0.458	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-66.5	-178	-68.2	-173.8	2.4	0	0	110.3	N567	N567-Q570 HydrophobicContact CB-CB 4.34Å; N567-Q570 HydrophobicContact CB-CG 4.34Å; N567-Q570 PolarHBondContact O-N 3.12Å
571	D	76.6	Confident	83.8	Confident	100 Å²	100	36.9 Å²	36.9	54%	0.535	20%	0.201	S	C	.	.			trans	-140.5	131.5	-178.7	-73	-50.9	0	0	0	108.9	N567	N567-D571 PolarHBondContact O-N 3.09Å
572	T	75.6	Confident	83	Confident	39 Å²	39	41.1 Å²	41.1	24%	0.239	24%	0.235	C	C	.	.	S	Bend	trans	-92.3	-20.2	176.9	56.2	0	0	0	0	112.7	Y532 F534 W566	Y532-T572 WeakPolarHBondContact CE1-O 3.4Å; Y532-T572 PolarHBondContact OH-O 3.39Å; Y532-T572 PolarHBondContact OH-OG1 3.48Å; F534-T572 WeakPolarHBondContact CD1-O 3.23Å; F534-T572 WeakPolarHBondContact CE1-O 3.43Å; W566-T572 WeakPolarHBondContact CZ3-O 3.26Å
573	E	76.6	Confident	81.9	Confident	147 Å²	147	42.7 Å²	42.7	69%	0.687	27%	0.265	S	S	*	.	S	Bend	trans	-94.8	-29.1	-174.1	-63.4	-176.2	174.6	0	0	113.2
574	V	83.5	Confident	81.3	Confident	82 Å²	82	45.4 Å²	45.4	50%	0.497	29%	0.287	S	S	.	.	S	Bend	trans	-123.6	137	-175.1	-178.7	0	0	0	0	109.7	W566 T576	W566-V574 VanDerWaalsContact CZ3-C 3.49Å; V574-T576 PolarHBondContact O-N 3.01Å
575	P	82.4	Confident	80.9	Confident	12 Å²	12	46.7 Å²	46.7	8%	0.078	30%	0.296	C	S	.	.			trans	-63.7	134.9	174	25.3	-33.1	0	0	0	110.4	D536 D564 L565 W566 A577 S578	D536-P575 WeakPolarHBondContact OD2-CD 3.39Å; D536-P575 WeakPolarHBondContact OD2-CG 3.43Å; D564-P575 HydrophobicContact CB-CB 4.01Å; L565-P575 CarbonylContact O-C 3.57Å; W566-P575 HydrophobicContact CD2-CB 4.14Å; W566-P575 HydrophobicContact CH2-CB 4.45Å; W566-P575 HydrophobicContact CZ2-CB 4.04Å; W566-P575 HydrophobicContact CZ2-CG 4.24Å; P575-A577 VanDerWaalsContact C-N 3.31Å; P575-A577 PolarHBondContact O-N 3.05Å; P575-S578 WeakPolarHBondContact CG-OG 3.39Å
576	T	81.8	Confident	80.6	Confident	20 Å²	20	47.7 Å²	47.7	12%	0.123	30%	0.304	C	S	.	.	S	Bend	trans	-67.7	-32.7	-179.5	-55.1	0	0	0	0	112.2	R278 L565 N567 V574	R278-T576 VanDerWaalsContact CD-O 3.31Å; R278-T576 WeakPolarHBondContact CD-O 3.39Å; L565-T576 PolarHBondContact O-N 2.99Å; N567-T576 HydrophobicContact CB-CG2 4.46Å; N567-T576 WeakPolarHBondContact CB-OG1 3.41Å; N567-T576 PolarHBondContact N-OG1 3.33Å; V574-T576 PolarHBondContact O-N 3.01Å
577	A	81.9	Confident	80.7	Confident	12 Å²	12	47.7 Å²	47.7	10%	0.099	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134.7	171.9	0	0	0	0	0	110.3	R278 L279 L565 P575	R278-A577 HydrophobicContact CB-CB 3.81Å; L279-A577 HydrophobicContact CD1-CB 3.87Å; L279-A577 HydrophobicContact CG-CB 4.23Å; L565-A577 HydrophobicContact CB-CB 4.13Å; L565-A577 HydrophobicContact CD1-CB 4.48Å; L565-A577 PolarHBondContact N-O 2.91Å; L565-A577 PolarHBondContact O-N 3.11Å; P575-A577 VanDerWaalsContact C-N 3.31Å; P575-A577 PolarHBondContact O-N 3.05Å
578	S	84.1	Confident	80.8	Confident	53 Å²	53	49.4 Å²	49.4	37%	0.371	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.7	175.4	-63.5	0	0	0	0	109.8	R562 L563 D564 P575	R562-S578 VanDerWaalsContact CZ-OG 3.31Å; R562-S578 PolarHBondContact NE-OG 3.43Å; R562-S578 PolarHBondContact NH2-OG 3.08Å; L563-S578 WeakPolarHBondContact O-CA 3.45Å; D564-S578 WeakPolarHBondContact OD1-CB 3.38Å; D564-S578 PolarHBondContact OD1-OG 3.4Å; P575-S578 WeakPolarHBondContact CG-OG 3.39Å
579	I	84.8	Confident	81	Confident	40 Å²	40	51.5 Å²	51.5	21%	0.205	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	172.5	-70.1	-170.1	0	0	0	109.4	L279 R562 L563 Y611	L279-I579 HydrophobicContact CB-CD1 3.2Å; L279-I579 HydrophobicContact CB-CG1 4.03Å; L279-I579 HydrophobicContact CD1-CD1 3.86Å; L279-I579 HydrophobicContact CD1-CG1 3.88Å; L279-I579 HydrophobicContact CG-CD1 4.19Å; R562-I579 CarbonylContact C-O 3.55Å; R562-I579 WeakPolarHBondContact CA-O 3.49Å; L563-I579 PolarHBondContact N-O 2.86Å; L563-I579 PolarHBondContact O-N 2.86Å; I579-Y611 HydrophobicContact CD1-CD1 4.18Å; I579-Y611 HydrophobicContact CD1-CE1 4.14Å; I579-Y611 HydrophobicContact CG2-CE1 4Å
580	V	84.4	Confident	81.4	Confident	97 Å²	97	50.8 Å²	50.8	59%	0.588	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.1	166.5	-177.6	0	0	0	0	108.5	R562 A584	R562-V580 HydrophobicContact CG-CG2 4.48Å; V580-A584 HydrophobicContact CG1-CB 4.41Å
581	V	81.8	Confident	81.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.1	138.2	177.3	180	0	0	0	0	109.5	G561 G583 A584 L587 I601 Y609 Y611	G561-V581 WeakPolarHBondContact O-CG2 3.25Å; G561-V581 PolarHBondContact O-N 2.76Å; V581-G583 PolarHBondContact O-N 2.7Å; V581-G583 VanDerWaalsContact O-N 3.15Å; V581-A584 PolarHBondContact O-N 3.04Å; V581-L587 HydrophobicContact CG2-CD1 3.95Å; V581-L587 HydrophobicContact CG2-CD2 4.12Å; V581-I601 HydrophobicContact CG2-CD1 4.38Å; V581-Y609 HydrophobicContact CG1-CD1 4Å; V581-Y609 HydrophobicContact CG1-CD2 3.99Å; V581-Y609 HydrophobicContact CG1-CE1 3.62Å; V581-Y609 HydrophobicContact CG1-CE2 3.57Å; V581-Y609 HydrophobicContact CG1-CG 4.2Å; V581-Y611 HydrophobicContact CG2-CE2 4.31Å; V581-Y611 WeakPolarHBondContact CG2-OH 3.36Å
582	A	68.6	Low	82.5	Confident	88 Å²	88	43.1 Å²	43.1	73%	0.727	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	119.1	-179.4	0	0	0	0	0	111.5
583	G	67.3	Low	83.1	Confident	77 Å²	77	41.3 Å²	41.3	79%	0.794	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.9	-6.9	-176.2	0	0	0	0	0	114.5	V581 P585	V581-G583 PolarHBondContact O-N 2.7Å; V581-G583 VanDerWaalsContact O-N 3.15Å; G583-P585 VanDerWaalsContact C-N 3.29Å
584	A	75.8	Confident	83.4	Confident	56 Å²	56	37 Å²	37	46%	0.463	25%	0.253	S	S	.	.			trans	42.5	47	-179.3	0	0	0	0	0	114.6	V580 V581	V580-A584 HydrophobicContact CG1-CB 4.41Å; V581-A584 PolarHBondContact O-N 3.04Å
585	P	81.3	Confident	83.3	Confident	28 Å²	28	35.7 Å²	35.7	18%	0.182	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-79.7	159.2	176	39.1	-36.5	0	0	0	110.3	G561 G583 L587 D603	G561-P585 VanDerWaalsContact CA-O 3.23Å; G561-P585 WeakPolarHBondContact CA-O 3.46Å; G561-P585 PolarHBondContact N-O 2.84Å; G583-P585 VanDerWaalsContact C-N 3.29Å; P585-L587 PolarHBondContact O-N 2.85Å; P585-D603 WeakPolarHBondContact CB-OD1 3.49Å; P585-D603 WeakPolarHBondContact CG-OD1 3.39Å; P585-D603 WeakPolarHBondContact CG-OD2 3.5Å
586	A	85.3	Confident	83.2	Confident	21 Å²	21	35.1 Å²	35.1	17%	0.174	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.8	128.3	179.8	0	0	0	0	0	110.7	G559 E604	G559-A586 VanDerWaalsContact O-CA 3.24Å; G559-A586 WeakPolarHBondContact O-CA 3.23Å; G559-A586 WeakPolarHBondContact O-CB 2.98Å; A586-E604 HydrophobicContact CB-CB 4.38Å; A586-E604 WeakPolarHBondContact O-CB 3.38Å; A586-E604 PolarHBondContact O-N 3.26Å
587	L	89.5	Confident	83.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.3	-178.7	-55.7	172.9	0	0	0	108.6	M542 V557 G561 V581 P585 I601 G602	M542-L587 WeakPolarHBondContact CB-O 3.26Å; M542-L587 WeakPolarHBondContact CG-O 3.39Å; V557-L587 HydrophobicContact CG1-CB 3.07Å; V557-L587 HydrophobicContact CG1-CD1 3.75Å; V557-L587 HydrophobicContact CG1-CG 4.04Å; G561-L587 VanDerWaalsContact C-CD1 3.41Å; V581-L587 HydrophobicContact CG2-CD1 3.95Å; V581-L587 HydrophobicContact CG2-CD2 4.12Å; P585-L587 PolarHBondContact O-N 2.85Å; L587-I601 HydrophobicContact CB-CG2 3.95Å; L587-I601 HydrophobicContact CD1-CD1 4.46Å; L587-I601 HydrophobicContact CD1-CG2 3.87Å; L587-I601 HydrophobicContact CD2-CG2 3.71Å; L587-I601 HydrophobicContact CG-CG2 4Å; L587-G602 WeakPolarHBondContact CA-O 3.45Å
588	N	88.9	Confident	83.6	Confident	40 Å²	40	37.9 Å²	37.9	21%	0.214	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-31.3	-170.9	-69.8	-27.7	0	0	0	113.7	I296 G602	I296-N588 WeakPolarHBondContact O-CB 3.32Å; I296-N588 PolarHBondContact O-ND2 3.29Å; N588-G602 PolarHBondContact N-O 3.36Å
589	R	89.1	Confident	83.8	Confident	49 Å²	49	35.3 Å²	35.3	19%	0.185	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.8	-168.1	-70.7	-65.3	-167.4	148.6	4.7	111.9	T297 M299 D543 I601 G602	T297-R589 WeakPolarHBondContact O-CG 3.31Å; T297-R589 VanDerWaalsContact O-CZ 3.26Å; T297-R589 PolarHBondContact O-NE 2.79Å; T297-R589 PolarHBondContact O-NH2 3.1Å; M299-R589 HydrophobicContact CE-CB 3.7Å; M299-R589 WeakPolarHBondContact CE-O 3.42Å; D543-R589 WeakPolarHBondContact OD2-CA 3.29Å; D543-R589 WeakPolarHBondContact OD2-CD 3.29Å; R589-I601 WeakPolarHBondContact O-CA 3.42Å; R589-G602 PolarHBondContact O-N 2.91Å
590	V	91.6	Very high	84.1	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.4	174.9	67.5	0	0	0	0	110.4	D543 A545 A555 V557 L563 V599 C600	D543-V590 HydrophobicContact CB-CG1 3.96Å; D543-V590 PolarHBondContact OD2-N 3.05Å; A545-V590 HydrophobicContact CB-CG1 3.78Å; A555-V590 HydrophobicContact CB-CG2 3.88Å; V557-V590 HydrophobicContact CB-CB 4.37Å; V557-V590 HydrophobicContact CG2-CB 3.61Å; V557-V590 HydrophobicContact CG2-CG1 4.25Å; V557-V590 HydrophobicContact CG2-CG2 3.87Å; L563-V590 HydrophobicContact CD1-CG2 4.25Å; V590-V599 HydrophobicContact CG2-CG1 3.79Å; V590-C600 WeakPolarHBondContact CA-O 3.36Å
591	S	89.7	Confident	84.3	Confident	21 Å²	21	28.8 Å²	28.8	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	133.7	177.5	-166.6	0	0	0	0	111.6	W301 C600	W301-S591 PolarHBondContact NE1-O 2.77Å; S591-C600 PolarHBondContact N-O 2.8Å; S591-C600 PolarHBondContact O-N 2.94Å
592	W	89.6	Confident	84.7	Confident	15 Å²	15	28.8 Å²	28.8	6%	0.057	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.4	177	-72.5	88.8	0	0	0	111.4	W301 A545 P548 L553 A555 L565 G596 V599 V613	W301-W592 PolarHBondContact NE1-O 2.73Å; A545-W592 PolarHBondContact O-NE1 3.18Å; P548-W592 HydrophobicContact CG-CB 4.26Å; L553-W592 HydrophobicContact CD2-CH2 3.63Å; L553-W592 HydrophobicContact CD2-CZ2 4.28Å; L553-W592 HydrophobicContact CD2-CZ3 4.26Å; L553-W592 HydrophobicContact CG-CH2 4.05Å; L553-W592 HydrophobicContact CG-CZ2 4.21Å; A555-W592 HydrophobicContact CB-CZ2 3.69Å; L565-W592 HydrophobicContact CD2-CH2 3.73Å; L565-W592 HydrophobicContact CD2-CZ2 3.53Å; W592-G596 VanDerWaalsContact CZ3-O 3.32Å; W592-G596 WeakPolarHBondContact CZ3-O 3.36Å; W592-V599 HydrophobicContact CD2-CG2 3.66Å; W592-V599 HydrophobicContact CE3-CG2 3.42Å; W592-V599 VanDerWaalsContact CE3-CG2 3.42Å; W592-V599 HydrophobicContact CH2-CG2 3.41Å; W592-V599 VanDerWaalsContact CH2-CG2 3.41Å; W592-V599 HydrophobicContact CZ2-CG2 3.66Å; W592-V599 HydrophobicContact CZ3-CG2 3.29Å; W592-V613 HydrophobicContact CH2-CG2 3.9Å; W592-V613 HydrophobicContact CZ3-CB 4.42Å; W592-V613 HydrophobicContact CZ3-CG2 3.64Å
593	T	87.8	Confident	85.6	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	17%	0.165	C	C	.	.			trans	-59.2	146.3	163.9	46.2	0	0	0	0	110.7	W301 P548 S595 G596 L597 H598	W301-T593 HydrophobicContact CD2-CG2 4.11Å; W301-T593 HydrophobicContact CE3-CG2 4.1Å; W301-T593 HydrophobicContact CH2-CG2 3.33Å; W301-T593 HydrophobicContact CZ2-CG2 3.27Å; W301-T593 HydrophobicContact CZ3-CG2 3.76Å; P548-T593 WeakPolarHBondContact CG-O 3.33Å; T593-S595 PolarHBondContact O-N 3.16Å; T593-S595 VanDerWaalsContact O-N 3.07Å; T593-S595 PolarHBondContact OG1-OG 3.39Å; T593-G596 PolarHBondContact O-N 2.79Å; T593-G596 PolarHBondContact OG1-N 2.89Å; T593-L597 PolarHBondContact OG1-N 2.91Å; T593-H598 HydrophobicContact CG2-CB 3.7Å; T593-H598 PolarHBondContact N-O 3.4Å; T593-H598 PolarHBondContact OG1-N 2.79Å; T593-H598 PolarHBondContact OG1-O 3.3Å
594	P	81.9	Confident	86.5	Confident	55 Å²	55	26.2 Å²	26.2	36%	0.357	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.7	173.1	-25.6	34.5	0	0	0	113.9	W301	W301-P594 HydrophobicContact CB-CG 4.2Å
595	S	81.9	Confident	86.8	Confident	56 Å²	56	25.1 Å²	25.1	39%	0.392	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.8	174.3	56.5	0	0	0	0	114.1	V549 T593 L597	V549-S595 WeakPolarHBondContact CG2-O 3.41Å; T593-S595 PolarHBondContact O-N 3.16Å; T593-S595 VanDerWaalsContact O-N 3.07Å; T593-S595 PolarHBondContact OG1-OG 3.39Å; S595-L597 PolarHBondContact O-N 3.43Å; S595-L597 VanDerWaalsContact O-N 3.16Å
596	G	80.8	Confident	86.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	72.5	-3.2	179.2	0	0	0	0	0	115.8	W592 T593 A618	W592-G596 VanDerWaalsContact CZ3-O 3.32Å; W592-G596 WeakPolarHBondContact CZ3-O 3.36Å; T593-G596 PolarHBondContact O-N 2.79Å; T593-G596 PolarHBondContact OG1-N 2.89Å; G596-A618 WeakPolarHBondContact O-CB 3.39Å
597	L	84.3	Confident	86.8	Confident	40 Å²	40	26.2 Å²	26.2	21%	0.209	14%	0.141	C	C	.	.	S	Bend	trans	-83.3	-31.5	-177	-68	173.2	0	0	0	113	T593 S595 V613 E615 A618	T593-L597 PolarHBondContact OG1-N 2.91Å; S595-L597 PolarHBondContact O-N 3.43Å; S595-L597 VanDerWaalsContact O-N 3.16Å; L597-V613 WeakPolarHBondContact O-CB 3.45Å; L597-V613 PolarHBondContact O-N 3.39Å; L597-E615 HydrophobicContact CD2-CG 4.05Å; L597-A618 HydrophobicContact CD2-CB 3.92Å
598	H	87.1	Confident	86.8	Confident	49 Å²	49	26.2 Å²	26.2	23%	0.227	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.4	-179.1	-42.9	-53.8	0	0	0	112	T593 V610 Y611 D612	T593-H598 HydrophobicContact CG2-CB 3.7Å; T593-H598 PolarHBondContact N-O 3.4Å; T593-H598 PolarHBondContact OG1-N 2.79Å; T593-H598 PolarHBondContact OG1-O 3.3Å; H598-V610 HydrophobicContact CB-CG1 4.02Å; H598-Y611 CarbonylContact C-O 3.55Å; H598-Y611 VanDerWaalsContact CA-O 3.24Å; H598-Y611 WeakPolarHBondContact CA-O 3.49Å; H598-D612 IonicContact CE1-OD1 3.44Å; H598-D612 PolarHBondContact CE1-OD1 2.88Å; H598-D612 IonicContact CE1-OD2 2.78Å; H598-D612 IonicContact ND1-OD1 3.53Å; H598-D612 PolarHBondContact ND1-OD1 3.34Å; H598-D612 IonicContact ND1-OD2 3.83Å
599	V	89.7	Confident	86.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.6	174.4	176.2	0	0	0	0	108.9	A555 L563 V590 W592 I601 Y611 V613	A555-V599 HydrophobicContact CB-CG1 4.49Å; L563-V599 HydrophobicContact CD1-CG1 4.26Å; L563-V599 HydrophobicContact CD2-CG1 4.18Å; V590-V599 HydrophobicContact CG2-CG1 3.79Å; W592-V599 HydrophobicContact CD2-CG2 3.66Å; W592-V599 HydrophobicContact CE3-CG2 3.42Å; W592-V599 VanDerWaalsContact CE3-CG2 3.42Å; W592-V599 HydrophobicContact CH2-CG2 3.41Å; W592-V599 VanDerWaalsContact CH2-CG2 3.41Å; W592-V599 HydrophobicContact CZ2-CG2 3.66Å; W592-V599 HydrophobicContact CZ3-CG2 3.29Å; V599-I601 HydrophobicContact CG1-CG1 4.45Å; V599-Y611 PolarHBondContact N-O 2.85Å; V599-Y611 PolarHBondContact O-N 3.41Å; V599-V613 HydrophobicContact CB-CG2 4.44Å; V599-V613 HydrophobicContact CG2-CG2 3.53Å
600	C	89.1	Confident	86.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.3	172.6	-85.9	0	0	0	0	112	W301 V590 S591 L608 Y609	W301-C600 HydrophobicContact CZ2-CB 3.85Å; W301-C600 WeakPolarHBondContact CZ2-SG 2.86Å; V590-C600 WeakPolarHBondContact CA-O 3.36Å; S591-C600 PolarHBondContact N-O 2.8Å; S591-C600 PolarHBondContact O-N 2.94Å; C600-L608 HydrophobicContact CB-CD2 4.12Å; C600-Y609 CarbonylContact C-O 3.54Å; C600-Y609 VanDerWaalsContact CA-O 3.28Å; C600-Y609 WeakPolarHBondContact CA-O 3.28Å
601	I	90.2	Very high	86.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136	176.8	-45.6	-177.3	0	0	0	109.8	V557 L563 V581 L587 R589 V599 L608 Y609 Y611	V557-I601 HydrophobicContact CG1-CG2 4.45Å; V557-I601 HydrophobicContact CG2-CG2 4.36Å; L563-I601 HydrophobicContact CB-CD1 3.64Å; L563-I601 HydrophobicContact CD1-CD1 3.85Å; L563-I601 HydrophobicContact CD1-CG1 4.32Å; L563-I601 HydrophobicContact CD2-CD1 3.67Å; L563-I601 HydrophobicContact CD2-CG1 4.4Å; L563-I601 HydrophobicContact CG-CD1 3.88Å; V581-I601 HydrophobicContact CG2-CD1 4.38Å; L587-I601 HydrophobicContact CB-CG2 3.95Å; L587-I601 HydrophobicContact CD1-CD1 4.46Å; L587-I601 HydrophobicContact CD1-CG2 3.87Å; L587-I601 HydrophobicContact CD2-CG2 3.71Å; L587-I601 HydrophobicContact CG-CG2 4Å; R589-I601 WeakPolarHBondContact O-CA 3.42Å; V599-I601 HydrophobicContact CG1-CG1 4.45Å; I601-L608 CarbonylContact O-C 3.59Å; I601-L608 WeakPolarHBondContact O-CA 3.37Å; I601-Y609 PolarHBondContact N-O 3.33Å; I601-Y609 PolarHBondContact O-N 2.84Å; I601-Y611 HydrophobicContact CD1-CD2 3.6Å; I601-Y611 HydrophobicContact CD1-CE2 3.42Å; I601-Y611 VanDerWaalsContact CD1-CE2 3.42Å; I601-Y611 HydrophobicContact CG1-CD2 3.96Å; I601-Y611 HydrophobicContact CG1-CE2 4.11Å
602	G	88.6	Confident	86.5	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.3	172.9	0	0	0	0	0	111.8	L587 N588 R589	L587-G602 WeakPolarHBondContact CA-O 3.45Å; N588-G602 PolarHBondContact N-O 3.36Å; R589-G602 PolarHBondContact O-N 2.91Å
603	D	88.5	Confident	86.3	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	153.2	178	-168.1	-11.2	0	0	0	111.8	I296 P585 A605 G606 K607 Y609	I296-D603 PolarHBondContact N-O 2.94Å; P585-D603 WeakPolarHBondContact CB-OD1 3.49Å; P585-D603 WeakPolarHBondContact CG-OD1 3.39Å; P585-D603 WeakPolarHBondContact CG-OD2 3.5Å; D603-A605 VanDerWaalsContact C-N 3.27Å; D603-A605 PolarHBondContact OD1-N 3.18Å; D603-G606 PolarHBondContact O-N 3.03Å; D603-K607 HydrophobicContact CB-CB 4.12Å; D603-K607 WeakPolarHBondContact CB-O 3.47Å; D603-K607 PolarHBondContact N-O 2.88Å; D603-Y609 HydrophobicContact CB-CD2 4.45Å; D603-Y609 HydrophobicContact CB-CE2 3.89Å; D603-Y609 PolarHBondContact OD2-OH 3.22Å
604	E	85.6	Confident	85.8	Confident	110 Å²	110	24.9 Å²	24.9	51%	0.514	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-33.6	166.1	-171.8	-175.7	178.6	0	0	112	R294 C295 A586 G606	R294-E604 CarbonylContact C-O 3.55Å; C295-E604 WeakPolarHBondContact CA-O 3.1Å; C295-E604 HydrophobicContact CB-CG 4.03Å; C295-E604 PolarHBondContact N-O 3.4Å; A586-E604 HydrophobicContact CB-CB 4.38Å; A586-E604 WeakPolarHBondContact O-CB 3.38Å; A586-E604 PolarHBondContact O-N 3.26Å; E604-G606 PolarHBondContact O-N 3.36Å
605	A	82.8	Confident	85.4	Confident	33 Å²	33	28.4 Å²	28.4	27%	0.273	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.5	178.2	0	0	0	0	0	114.1	D603	D603-A605 VanDerWaalsContact C-N 3.27Å; D603-A605 PolarHBondContact OD1-N 3.18Å
606	G	80.1	Confident	84.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	85	8.4	177.3	0	0	0	0	0	115.5	S291 R294 Y313 D603 E604	S291-G606 WeakPolarHBondContact CB-O 3.31Å; S291-G606 WeakPolarHBondContact O-CA 3.32Å; R294-G606 WeakPolarHBondContact O-CA 3.49Å; R294-G606 PolarHBondContact O-N 3.16Å; Y313-G606 WeakPolarHBondContact CE1-O 3.34Å; D603-G606 PolarHBondContact O-N 3.03Å; E604-G606 PolarHBondContact O-N 3.36Å
607	K	86.8	Confident	84.6	Confident	73 Å²	73	33.4 Å²	33.4	32%	0.317	17%	0.174	S	C	.	.			trans	-84	136.7	173.5	-66.5	173.3	-177.6	175.2	0	110.2	V284 F285 Y286 I296 D603 Y609	V284-K607 HydrophobicContact CG1-CB 3.99Å; V284-K607 HydrophobicContact CG1-CD 4.32Å; V284-K607 HydrophobicContact CG1-CG 4.27Å; F285-K607 WeakPolarHBondContact O-CA 3.38Å; Y286-K607 HydrophobicContact CD2-CD 4.43Å; Y286-K607 HydrophobicContact CD2-CG 3.49Å; Y286-K607 VanDerWaalsContact CD2-CG 3.49Å; Y286-K607 HydrophobicContact CE2-CG 4.24Å; Y286-K607 HydrophobicContact CG-CG 4.12Å; I296-K607 WeakPolarHBondContact CD1-O 3.43Å; D603-K607 HydrophobicContact CB-CB 4.12Å; D603-K607 WeakPolarHBondContact CB-O 3.47Å; D603-K607 PolarHBondContact N-O 2.88Å; K607-Y609 HydrophobicContact CB-CD2 4.42Å; K607-Y609 HydrophobicContact CB-CE2 3.68Å; K607-Y609 WeakPolarHBondContact CD-OH 3.49Å
608	L	88.4	Confident	83.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119	171.5	-166.2	153.9	0	0	0	108.6	V284 F285 I296 M299 V309 C600 I601 V610	V284-L608 CarbonylContact C-O 3.56Å; V284-L608 WeakPolarHBondContact CA-O 3.25Å; F285-L608 HydrophobicContact CB-CB 4.17Å; F285-L608 HydrophobicContact CD2-CB 4.18Å; F285-L608 HydrophobicContact CD2-CD2 3.59Å; F285-L608 HydrophobicContact CD2-CG 4.41Å; F285-L608 HydrophobicContact CE2-CD2 4.01Å; F285-L608 PolarHBondContact N-O 2.91Å; F285-L608 PolarHBondContact O-N 3.31Å; I296-L608 HydrophobicContact CD1-CB 4.05Å; M299-L608 HydrophobicContact CG-CD1 4.28Å; M299-L608 HydrophobicContact SD-CD1 3.49Å; M299-L608 WeakPolarHBondContact SD-CD1 3.49Å; M299-L608 HydrophobicContact SD-CG 3.84Å; V309-L608 HydrophobicContact CG1-CD2 4.47Å; V309-L608 HydrophobicContact CG2-CD1 4.48Å; C600-L608 HydrophobicContact CB-CD2 4.12Å; I601-L608 CarbonylContact O-C 3.59Å; I601-L608 WeakPolarHBondContact O-CA 3.37Å; L608-V610 HydrophobicContact CD2-CG2 4.13Å
609	Y	88.6	Confident	83.4	Confident	12 Å²	12	34.6 Å²	34.6	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.2	179.9	-60.8	-91.2	0	0	0	109.5	L281 V284 V581 C600 I601 D603 K607 Y611	L281-Y609 HydrophobicContact CD1-CD1 4.06Å; V284-Y609 HydrophobicContact CB-CD1 4.26Å; V284-Y609 HydrophobicContact CB-CE1 4.27Å; V284-Y609 HydrophobicContact CG1-CD1 3.98Å; V284-Y609 HydrophobicContact CG1-CE1 3.7Å; V284-Y609 HydrophobicContact CG2-CD1 3.49Å; V284-Y609 VanDerWaalsContact CG2-CD1 3.49Å; V284-Y609 HydrophobicContact CG2-CE1 3.56Å; V581-Y609 HydrophobicContact CG1-CD1 4Å; V581-Y609 HydrophobicContact CG1-CD2 3.99Å; V581-Y609 HydrophobicContact CG1-CE1 3.62Å; V581-Y609 HydrophobicContact CG1-CE2 3.57Å; V581-Y609 HydrophobicContact CG1-CG 4.2Å; C600-Y609 CarbonylContact C-O 3.54Å; C600-Y609 VanDerWaalsContact CA-O 3.28Å; C600-Y609 WeakPolarHBondContact CA-O 3.28Å; I601-Y609 PolarHBondContact N-O 3.33Å; I601-Y609 PolarHBondContact O-N 2.84Å; D603-Y609 HydrophobicContact CB-CD2 4.45Å; D603-Y609 HydrophobicContact CB-CE2 3.89Å; D603-Y609 PolarHBondContact OD2-OH 3.22Å; K607-Y609 HydrophobicContact CB-CD2 4.42Å; K607-Y609 HydrophobicContact CB-CE2 3.68Å; K607-Y609 WeakPolarHBondContact CD-OH 3.49Å; Y609-Y611 HydrophobicContact CG-CE2 4.38Å
610	V	89.4	Confident	82.6	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.5	170.9	-169	0	0	0	0	107.8	N282 R283 F285 H598 L608	N282-V610 WeakPolarHBondContact CA-O 3.03Å; N282-V610 HydrophobicContact CB-CB 4.46Å; N282-V610 HydrophobicContact CB-CG1 4.42Å; N282-V610 WeakPolarHBondContact CB-O 3.44Å; N282-V610 PolarHBondContact N-O 2.8Å; R283-V610 PolarHBondContact N-O 3.24Å; R283-V610 PolarHBondContact O-N 3.39Å; F285-V610 HydrophobicContact CD2-CG2 3.94Å; F285-V610 HydrophobicContact CE2-CG2 3.29Å; F285-V610 HydrophobicContact CZ-CG2 4.12Å; H598-V610 HydrophobicContact CB-CG1 4.02Å; L608-V610 HydrophobicContact CD2-CG2 4.13Å
611	Y	89.2	Confident	81.9	Confident	8 Å²	8	39.9 Å²	39.9	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.8	173.3	-71.9	-80.4	0	0	0	109.8	S280 L281 L563 I579 V581 H598 V599 I601 Y609	S280-Y611 CarbonylContact O-C 3.54Å; S280-Y611 WeakPolarHBondContact O-CA 3.21Å; L281-Y611 HydrophobicContact CB-CD1 4.2Å; L281-Y611 HydrophobicContact CB-CE1 3.85Å; L281-Y611 HydrophobicContact CD1-CD1 4.15Å; L281-Y611 HydrophobicContact CD1-CE1 3.68Å; L281-Y611 HydrophobicContact CD1-CE2 4.29Å; L281-Y611 HydrophobicContact CG-CE1 4.36Å; L563-Y611 HydrophobicContact CD2-CD2 4.09Å; L563-Y611 HydrophobicContact CD2-CG 4.31Å; I579-Y611 HydrophobicContact CD1-CD1 4.18Å; I579-Y611 HydrophobicContact CD1-CE1 4.14Å; I579-Y611 HydrophobicContact CG2-CE1 4Å; V581-Y611 HydrophobicContact CG2-CE2 4.31Å; V581-Y611 WeakPolarHBondContact CG2-OH 3.36Å; H598-Y611 CarbonylContact C-O 3.55Å; H598-Y611 VanDerWaalsContact CA-O 3.24Å; H598-Y611 WeakPolarHBondContact CA-O 3.49Å; V599-Y611 PolarHBondContact N-O 2.85Å; V599-Y611 PolarHBondContact O-N 3.41Å; I601-Y611 HydrophobicContact CD1-CD2 3.6Å; I601-Y611 HydrophobicContact CD1-CE2 3.42Å; I601-Y611 VanDerWaalsContact CD1-CE2 3.42Å; I601-Y611 HydrophobicContact CG1-CD2 3.96Å; I601-Y611 HydrophobicContact CG1-CE2 4.11Å; Y609-Y611 HydrophobicContact CG-CE2 4.38Å
612	D	86.7	Confident	81	Confident	47 Å²	47	51.5 Å²	51.5	25%	0.251	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.4	170.5	-151.7	-1.4	0	0	0	109.1	L279 S280 N282 H598	L279-D612 CarbonylContact C-O 3.59Å; L279-D612 VanDerWaalsContact CA-O 3.3Å; L279-D612 WeakPolarHBondContact CA-O 3.27Å; S280-D612 PolarHBondContact N-O 3.2Å; S280-D612 PolarHBondContact O-N 3.34Å; S280-D612 WeakPolarHBondContact OG-CB 3.34Å; N282-D612 HydrophobicContact CB-CB 4.47Å; H598-D612 IonicContact CE1-OD1 3.44Å; H598-D612 PolarHBondContact CE1-OD1 2.88Å; H598-D612 IonicContact CE1-OD2 2.78Å; H598-D612 IonicContact ND1-OD1 3.53Å; H598-D612 PolarHBondContact ND1-OD1 3.34Å; H598-D612 IonicContact ND1-OD2 3.83Å
613	V	84.2	Confident	80.6	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.6	176.6	-170.9	0	0	0	0	107.7	L279 L565 W592 L597 V599 E615 L617 A618	L279-V613 HydrophobicContact CD2-CB 4.32Å; L279-V613 HydrophobicContact CD2-CG1 4.44Å; L279-V613 HydrophobicContact CD2-CG2 3.73Å; L565-V613 HydrophobicContact CD1-CG1 3.93Å; L565-V613 HydrophobicContact CD1-CG2 4.29Å; W592-V613 HydrophobicContact CH2-CG2 3.9Å; W592-V613 HydrophobicContact CZ3-CB 4.42Å; W592-V613 HydrophobicContact CZ3-CG2 3.64Å; L597-V613 WeakPolarHBondContact O-CB 3.45Å; L597-V613 PolarHBondContact O-N 3.39Å; V599-V613 HydrophobicContact CB-CG2 4.44Å; V599-V613 HydrophobicContact CG2-CG2 3.53Å; V613-E615 PolarHBondContact O-N 3.08Å; V613-L617 HydrophobicContact CG1-CB 4.25Å; V613-L617 HydrophobicContact CG1-CD2 4.06Å; V613-L617 HydrophobicContact CG1-CG 4.36Å; V613-A618 HydrophobicContact CB-CB 4.44Å; V613-A618 HydrophobicContact CG1-CB 4.33Å
614	A	78.9	Confident	80.1	Confident	33 Å²	33	56 Å²	56	27%	0.273	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-53.3	134.4	178.6	0	0	0	0	0	111.2	R278 N616 L617 A618	R278-A614 PolarHBondContact O-N 2.86Å; R278-A614 VanDerWaalsContact O-N 3.14Å; A614-N616 PolarHBondContact O-N 2.89Å; A614-N616 VanDerWaalsContact O-N 3.12Å; A614-L617 PolarHBondContact O-N 3.22Å; A614-A618 PolarHBondContact O-N 2.92Å; A614-A618 VanDerWaalsContact O-N 3.07Å
615	E	73.4	Confident	79.7	Confident	128 Å²	128	53.6 Å²	53.6	60%	0.598	27%	0.268	S	S	*	.	H	α-helix	trans	-55.3	-36	-175.8	-63.2	-172.1	170.4	0	0	112.3	L597 V613 L617 A618 Q619	L597-E615 HydrophobicContact CD2-CG 4.05Å; V613-E615 PolarHBondContact O-N 3.08Å; E615-L617 PolarHBondContact O-N 3.43Å; E615-A618 PolarHBondContact O-N 2.86Å; E615-Q619 PolarHBondContact O-N 3.04Å
616	N	71.5	Confident	79.7	Confident	152 Å²	152	54.6 Å²	54.6	81%	0.813	27%	0.273	S	S	*	.	H	α-helix	trans	-62.2	-24.5	177.5	-67.6	-19.1	0	0	0	114.2	A614	A614-N616 PolarHBondContact O-N 2.89Å; A614-N616 VanDerWaalsContact O-N 3.12Å
617	L	72.9	Confident	79.9	Confident	10 Å²	10	61.1 Å²	61.1	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-97.1	-33.2	177.3	-175.1	64	0	0	0	111.4	H550 L553 L565 N567 V613 A614 E615	H550-L617 PolarHBondContact CD2-O 3.38Å; L553-L617 HydrophobicContact CD1-CD1 4.25Å; L553-L617 HydrophobicContact CD1-CD2 4.18Å; L553-L617 HydrophobicContact CD1-CG 4.07Å; L553-L617 HydrophobicContact CD2-CG 4.2Å; L565-L617 HydrophobicContact CD1-CD2 4.04Å; N567-L617 HydrophobicContact CB-CD1 4.4Å; V613-L617 HydrophobicContact CG1-CB 4.25Å; V613-L617 HydrophobicContact CG1-CD2 4.06Å; V613-L617 HydrophobicContact CG1-CG 4.36Å; A614-L617 PolarHBondContact O-N 3.22Å; E615-L617 PolarHBondContact O-N 3.43Å
618	A	71.3	Confident	79.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-78.1	-34.6	-176.2	0	0	0	0	0	113.4	G596 L597 V613 A614 E615	G596-A618 WeakPolarHBondContact O-CB 3.39Å; L597-A618 HydrophobicContact CD2-CB 3.92Å; V613-A618 HydrophobicContact CB-CB 4.44Å; V613-A618 HydrophobicContact CG1-CB 4.33Å; A614-A618 PolarHBondContact O-N 2.92Å; A614-A618 VanDerWaalsContact O-N 3.07Å; E615-A618 PolarHBondContact O-N 2.86Å
619	Q	76	Confident	79.5	Confident	113 Å²	113	60.7 Å²	60.7	53%	0.528	30%	0.298	S	S	.	.	S	Bend	trans	-93	126.8	179.6	-65.3	-169.9	10.4	0	0	110.9	E615 S621	E615-Q619 PolarHBondContact O-N 3.04Å; Q619-S621 PolarHBondContact O-N 3.15Å
620	P	71.8	Confident	79.3	Confident	41 Å²	41	63.9 Å²	63.9	27%	0.266	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-72.8	133	-179.7	29.3	-36.3	0	0	0	111.5	V549 E624	V549-P620 HydrophobicContact CG1-CG 4.46Å; V549-P620 WeakPolarHBondContact O-CG 3.44Å; P620-E624 WeakPolarHBondContact CA-OE2 3.44Å
621	S	74.3	Confident	79.1	Confident	69 Å²	69	67 Å²	67	48%	0.483	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-68.9	151.4	164	-176	0	0	0	0	110.3	Q619 D623 E624	Q619-S621 PolarHBondContact O-N 3.15Å; S621-D623 PolarHBondContact O-N 2.92Å; S621-E624 VanDerWaalsContact N-CD 3.31Å; S621-E624 PolarHBondContact N-OE2 3.47Å; S621-E624 WeakPolarHBondContact O-CB 3.38Å; S621-E624 PolarHBondContact O-N 3.28Å
622	R	72.3	Confident	78.8	Confident	244 Å²	244	67 Å²	67	92%	0.921	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	-178.1	-74.3	-176.2	173.6	175.8	-0.7	113.6
623	D	80.1	Confident	78.7	Confident	68 Å²	68	67.8 Å²	67.8	36%	0.364	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.8	-178.3	-169.8	33.6	0	0	0	113.7	S621 W625 S626 R627	S621-D623 PolarHBondContact O-N 2.92Å; D623-W625 VanDerWaalsContact C-N 3.27Å; D623-W625 PolarHBondContact O-N 3.34Å; D623-S626 PolarHBondContact O-N 3.08Å; D623-S626 PolarHBondContact O-OG 3.15Å; D623-S626 PolarHBondContact OD1-OG 3.48Å; D623-R627 WeakPolarHBondContact O-CG 3.47Å; D623-R627 PolarHBondContact O-N 2.69Å; D623-R627 VanDerWaalsContact O-N 3.09Å; D623-R627 IonicContact OD2-CZ 3.63Å; D623-R627 IonicContact OD2-NE 3.81Å; D623-R627 PolarHBondContact OD2-NE 3.43Å; D623-R627 IonicContact OD2-NH2 2.8Å; D623-R627 PolarHBondContact OD2-NH2 2.76Å
624	E	77.7	Confident	78.7	Confident	28 Å²	28	71.9 Å²	71.9	13%	0.131	36%	0.362	C	S	.	.	H	α-helix	trans	-70.6	-26.2	-177	-78.1	170.1	178.9	0	0	113	H550 N569 P620 S621 F628	H550-E624 IonicContact CD2-OE2 3.18Å; H550-E624 PolarHBondContact CD2-OE2 3.13Å; H550-E624 IonicContact NE2-OE1 2.78Å; H550-E624 IonicContact NE2-OE2 2.78Å; H550-E624 PolarHBondContact NE2-OE2 3.29Å; N569-E624 PolarHBondContact ND2-O 2.93Å; P620-E624 WeakPolarHBondContact CA-OE2 3.44Å; S621-E624 VanDerWaalsContact N-CD 3.31Å; S621-E624 PolarHBondContact N-OE2 3.47Å; S621-E624 WeakPolarHBondContact O-CB 3.38Å; S621-E624 PolarHBondContact O-N 3.28Å; E624-F628 WeakPolarHBondContact O-CB 2.9Å; E624-F628 PolarHBondContact O-N 3.48Å
625	W	78.3	Confident	78.9	Confident	60 Å²	60	71.4 Å²	71.4	23%	0.227	35%	0.354	C	S	.	.	H	α-helix	trans	-66.7	-43.1	174.2	-67.9	94.3	0	0	0	112.4	N501 F507 P551 D623 N629	N501-W625 HydrophobicContact CB-CH2 4.39Å; N501-W625 VanDerWaalsContact CG-CH2 3.46Å; N501-W625 WeakPolarHBondContact ND2-CH2 3.49Å; N501-W625 WeakPolarHBondContact ND2-CZ3 3.43Å; F507-W625 AromaticContact CD2-CE3 3.87Å; F507-W625 HydrophobicContact CD2-CE3 3.87Å; F507-W625 AromaticContact CD2-CZ3 3.72Å; F507-W625 HydrophobicContact CD2-CZ3 3.72Å; F507-W625 AromaticContact CE2-CE3 3.56Å; F507-W625 HydrophobicContact CE2-CE3 3.56Å; F507-W625 AromaticContact CE2-CZ3 3.93Å; F507-W625 HydrophobicContact CE2-CZ3 3.93Å; F507-W625 HydrophobicContact CZ-CE3 4.4Å; P551-W625 HydrophobicContact CB-CD2 4.1Å; P551-W625 HydrophobicContact CB-CE3 3.7Å; P551-W625 HydrophobicContact CB-CH2 3.48Å; P551-W625 VanDerWaalsContact CB-CH2 3.48Å; P551-W625 HydrophobicContact CB-CZ2 3.91Å; P551-W625 HydrophobicContact CB-CZ3 3.4Å; P551-W625 HydrophobicContact CG-CD2 3.86Å; P551-W625 HydrophobicContact CG-CE3 3.98Å; P551-W625 HydrophobicContact CG-CG 4.42Å; P551-W625 HydrophobicContact CG-CH2 4.03Å; P551-W625 HydrophobicContact CG-CZ2 3.93Å; P551-W625 HydrophobicContact CG-CZ3 4.09Å; D623-W625 VanDerWaalsContact C-N 3.27Å; D623-W625 PolarHBondContact O-N 3.34Å; W625-N629 PolarHBondContact O-N 3.14Å; W625-N629 VanDerWaalsContact O-N 3.13Å
626	S	82.6	Confident	79.3	Confident	54 Å²	54	68.4 Å²	68.4	38%	0.378	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-48.1	175.7	17	0	0	0	0	110.4	D623 F628 N629 T630	D623-S626 PolarHBondContact O-N 3.08Å; D623-S626 PolarHBondContact O-OG 3.15Å; D623-S626 PolarHBondContact OD1-OG 3.48Å; S626-F628 VanDerWaalsContact C-N 3.33Å; S626-F628 PolarHBondContact O-N 3.33Å; S626-N629 WeakPolarHBondContact O-CB 3.38Å; S626-N629 PolarHBondContact O-N 3.47Å; S626-T630 PolarHBondContact O-N 3.42Å; S626-T630 PolarHBondContact O-OG1 2.96Å
627	R	83	Confident	79.8	Confident	137 Å²	137	67.1 Å²	67.1	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-44.3	178.3	-69.2	178.5	-167.5	-174.9	3.9	112.1	D623 N629 T630 H631	D623-R627 WeakPolarHBondContact O-CG 3.47Å; D623-R627 PolarHBondContact O-N 2.69Å; D623-R627 VanDerWaalsContact O-N 3.09Å; D623-R627 IonicContact OD2-CZ 3.63Å; D623-R627 IonicContact OD2-NE 3.81Å; D623-R627 PolarHBondContact OD2-NE 3.43Å; D623-R627 IonicContact OD2-NH2 2.8Å; D623-R627 PolarHBondContact OD2-NH2 2.76Å; R627-N629 VanDerWaalsContact C-N 3.32Å; R627-N629 PolarHBondContact O-N 3.07Å; R627-T630 PolarHBondContact O-N 3.46Å; R627-H631 PolarHBondContact O-CD2 3.03Å; R627-H631 PolarHBondContact O-N 2.86Å
628	F	83.6	Confident	80.1	Confident	3 Å²	3	71.5 Å²	71.5	1%	0.013	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-40.8	178.3	-175.8	-119.6	0	0	0	112.1	F507 L510 W546 A552 L568 N569 E624 S626 T630 H631 L632	F507-F628 AromaticContact CD1-CD1 3.88Å; F507-F628 HydrophobicContact CD1-CD1 3.88Å; F507-F628 AromaticContact CD1-CE1 3.7Å; F507-F628 HydrophobicContact CD1-CE1 3.7Å; F507-F628 AromaticContact CE1-CD1 3.45Å; F507-F628 HydrophobicContact CE1-CD1 3.45Å; F507-F628 VanDerWaalsContact CE1-CD1 3.45Å; F507-F628 AromaticContact CE1-CE1 3.74Å; F507-F628 HydrophobicContact CE1-CE1 3.74Å; F507-F628 AromaticContact CZ-CD1 3.93Å; F507-F628 HydrophobicContact CZ-CD1 3.93Å; L510-F628 HydrophobicContact CD1-CE1 3.8Å; L510-F628 HydrophobicContact CD1-CZ 3.86Å; W546-F628 HydrophobicContact CH2-CZ 4.27Å; A552-F628 HydrophobicContact CB-CD2 3.7Å; A552-F628 HydrophobicContact CB-CE2 4.12Å; A552-F628 HydrophobicContact CB-CG 4.21Å; L568-F628 HydrophobicContact CB-CD2 4.17Å; L568-F628 HydrophobicContact CB-CE2 3.8Å; L568-F628 HydrophobicContact CD1-CE2 3.84Å; L568-F628 HydrophobicContact CD1-CZ 4.31Å; L568-F628 HydrophobicContact CG-CE2 4.29Å; N569-F628 WeakPolarHBondContact OD1-CA 3.46Å; N569-F628 VanDerWaalsContact OD1-CB 3.29Å; N569-F628 WeakPolarHBondContact OD1-CB 3.28Å; N569-F628 PolarHBondContact OD1-N 3.37Å; E624-F628 WeakPolarHBondContact O-CB 2.9Å; E624-F628 PolarHBondContact O-N 3.48Å; S626-F628 VanDerWaalsContact C-N 3.33Å; S626-F628 PolarHBondContact O-N 3.33Å; F628-T630 PolarHBondContact O-N 3.15Å; F628-H631 PolarHBondContact O-N 3.42Å; F628-L632 VanDerWaalsContact O-CB 3.23Å; F628-L632 WeakPolarHBondContact O-CB 3.26Å; F628-L632 PolarHBondContact O-N 2.74Å
629	N	83.9	Confident	80	Confident	60 Å²	60	74.2 Å²	74.2	32%	0.321	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-43.6	173.9	-101.9	-28.3	0	0	0	112.7	F507 W625 S626 R627 S633	F507-N629 WeakPolarHBondContact CE1-OD1 3.47Å; F507-N629 HydrophobicContact CZ-CB 4.2Å; F507-N629 VanDerWaalsContact CZ-ND2 3.26Å; F507-N629 WeakPolarHBondContact CZ-ND2 3.35Å; F507-N629 WeakPolarHBondContact CZ-OD1 3.42Å; W625-N629 PolarHBondContact O-N 3.14Å; W625-N629 VanDerWaalsContact O-N 3.13Å; S626-N629 WeakPolarHBondContact O-CB 3.38Å; S626-N629 PolarHBondContact O-N 3.47Å; R627-N629 VanDerWaalsContact C-N 3.32Å; R627-N629 PolarHBondContact O-N 3.07Å; N629-S633 WeakPolarHBondContact O-CB 3.35Å; N629-S633 PolarHBondContact O-N 3.15Å; N629-S633 PolarHBondContact O-OG 2.73Å
630	T	84.7	Confident	79.5	Confident	80 Å²	80	72.2 Å²	72.2	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-49.3	177.6	-58.9	0	0	0	0	110.7	S626 R627 F628 L632 S633 E634	S626-T630 PolarHBondContact O-N 3.42Å; S626-T630 PolarHBondContact O-OG1 2.96Å; R627-T630 PolarHBondContact O-N 3.46Å; F628-T630 PolarHBondContact O-N 3.15Å; T630-L632 PolarHBondContact O-N 2.98Å; T630-S633 WeakPolarHBondContact O-CA 3.24Å; T630-S633 WeakPolarHBondContact O-CB 3.31Å; T630-S633 PolarHBondContact O-N 2.86Å; T630-S633 VanDerWaalsContact O-N 3.08Å; T630-E634 WeakPolarHBondContact O-CG 3.4Å; T630-E634 PolarHBondContact O-N 2.82Å
631	H	84.1	Confident	78.9	Confident	69 Å²	69	76.5 Å²	76.5	32%	0.319	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.9	-82.8	-53.5	0	0	0	113	R627 F628 S633 E634 I635	R627-H631 PolarHBondContact O-CD2 3.03Å; R627-H631 PolarHBondContact O-N 2.86Å; F628-H631 PolarHBondContact O-N 3.42Å; H631-S633 PolarHBondContact O-N 2.93Å; H631-E634 IonicContact CE1-OE2 3.14Å; H631-E634 IonicContact CG-OE2 3.34Å; H631-E634 IonicContact ND1-OE2 3.94Å; H631-E634 PolarHBondContact ND1-OE2 3.43Å; H631-E634 WeakPolarHBondContact O-CB 3.23Å; H631-E634 PolarHBondContact O-N 2.8Å; H631-I635 VanDerWaalsContact O-CG1 3.31Å; H631-I635 WeakPolarHBondContact O-CG1 3.37Å; H631-I635 PolarHBondContact O-N 2.86Å
632	L	84.1	Confident	77.9	Confident	9 Å²	9	81.6 Å²	81.6	5%	0.047	40%	0.401	C	S	.	.	H	α-helix	trans	-61.6	-36.8	174.8	-170.5	73.4	0	0	0	111.6	L510 L522 L531 F628 T630 K636	L510-L632 HydrophobicContact CD1-CD1 4.14Å; L510-L632 HydrophobicContact CD1-CD2 3.96Å; L510-L632 HydrophobicContact CD2-CD1 4.21Å; L510-L632 HydrophobicContact CD2-CD2 4.38Å; L522-L632 HydrophobicContact CD2-CD1 4.31Å; L531-L632 HydrophobicContact CD1-CD1 3.99Å; F628-L632 VanDerWaalsContact O-CB 3.23Å; F628-L632 WeakPolarHBondContact O-CB 3.26Å; F628-L632 PolarHBondContact O-N 2.74Å; T630-L632 PolarHBondContact O-N 2.98Å; L632-K636 WeakPolarHBondContact O-CG 3.2Å; L632-K636 PolarHBondContact O-N 2.71Å; L632-K636 VanDerWaalsContact O-N 3.08Å
633	S	83.4	Confident	76.5	Confident	63 Å²	63	77.8 Å²	77.8	44%	0.441	41%	0.405	S	S	.	.	H	α-helix	trans	-69.4	-39.1	175.7	-58.5	0	0	0	0	111.7	N629 T630 H631 K636 M637	N629-S633 WeakPolarHBondContact O-CB 3.35Å; N629-S633 PolarHBondContact O-N 3.15Å; N629-S633 PolarHBondContact O-OG 2.73Å; T630-S633 WeakPolarHBondContact O-CA 3.24Å; T630-S633 WeakPolarHBondContact O-CB 3.31Å; T630-S633 PolarHBondContact O-N 2.86Å; T630-S633 VanDerWaalsContact O-N 3.08Å; H631-S633 PolarHBondContact O-N 2.93Å; S633-K636 PolarHBondContact O-N 3.07Å; S633-M637 WeakPolarHBondContact O-CG 3.13Å; S633-M637 PolarHBondContact O-N 2.79Å
634	E	85	Confident	76.4	Confident	88 Å²	88	78.3 Å²	78.3	41%	0.411	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-45.5	173.5	-70.1	170.7	175.7	0	0	111.6	T630 H631 K636 M637 N638	T630-E634 WeakPolarHBondContact O-CG 3.4Å; T630-E634 PolarHBondContact O-N 2.82Å; H631-E634 IonicContact CE1-OE2 3.14Å; H631-E634 IonicContact CG-OE2 3.34Å; H631-E634 IonicContact ND1-OE2 3.94Å; H631-E634 PolarHBondContact ND1-OE2 3.43Å; H631-E634 WeakPolarHBondContact O-CB 3.23Å; H631-E634 PolarHBondContact O-N 2.8Å; E634-K636 VanDerWaalsContact C-N 3.29Å; E634-K636 PolarHBondContact O-N 3.02Å; E634-M637 PolarHBondContact O-N 3.17Å; E634-M637 VanDerWaalsContact O-N 3.15Å; E634-N638 VanDerWaalsContact O-CG 3.3Å; E634-N638 PolarHBondContact O-N 3.34Å
635	I	83.3	Confident	76.3	Confident	22 Å²	22	80.9 Å²	80.9	11%	0.113	42%	0.422	C	S	.	.	H	α-helix	trans	-58.7	-44	175.9	-68.5	166.3	0	0	0	110.4	L531 Y532 H631 N638 Q639	L531-I635 HydrophobicContact CB-CG2 4.49Å; L531-I635 VanDerWaalsContact O-CG2 3.28Å; L531-I635 WeakPolarHBondContact O-CG2 3.44Å; Y532-I635 HydrophobicContact CD2-CG2 4.38Å; H631-I635 VanDerWaalsContact O-CG1 3.31Å; H631-I635 WeakPolarHBondContact O-CG1 3.37Å; H631-I635 PolarHBondContact O-N 2.86Å; I635-N638 PolarHBondContact O-N 2.86Å; I635-Q639 PolarHBondContact O-N 3.34Å; I635-Q639 VanDerWaalsContact O-N 3.13Å
636	K	81.5	Confident	76.2	Confident	66 Å²	66	82.1 Å²	82.1	29%	0.287	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-39.6	176.3	-75.4	-178.8	-179.9	-158.9	0	112.7	D527 L531 L632 S633 E634 Q639 S640	D527-K636 IonicContact OD2-NZ 3.94Å; L531-K636 HydrophobicContact CD2-CD 4.46Å; L531-K636 HydrophobicContact CD2-CG 3.93Å; L632-K636 WeakPolarHBondContact O-CG 3.2Å; L632-K636 PolarHBondContact O-N 2.71Å; L632-K636 VanDerWaalsContact O-N 3.08Å; S633-K636 PolarHBondContact O-N 3.07Å; E634-K636 VanDerWaalsContact C-N 3.29Å; E634-K636 PolarHBondContact O-N 3.02Å; K636-Q639 PolarHBondContact O-N 3.17Å; K636-S640 PolarHBondContact O-N 3.34Å
637	M	81	Confident	75.8	Confident	124 Å²	124	83.8 Å²	83.8	61%	0.611	44%	0.436	S	S	*	.	H	α-helix	trans	-65.9	-45.9	177.3	-76.9	-179.4	160.5	0	0	111.7	S633 E634 Q639 S640 D641	S633-M637 WeakPolarHBondContact O-CG 3.13Å; S633-M637 PolarHBondContact O-N 2.79Å; E634-M637 PolarHBondContact O-N 3.17Å; E634-M637 VanDerWaalsContact O-N 3.15Å; M637-Q639 PolarHBondContact O-N 2.69Å; M637-S640 WeakPolarHBondContact CA-OG 3.42Å; M637-S640 PolarHBondContact O-N 3.34Å; M637-S640 PolarHBondContact O-OG 3.24Å; M637-D641 PolarHBondContact O-N 3.1Å
638	N	80.1	Confident	75.4	Confident	103 Å²	103	80.4 Å²	80.4	55%	0.551	43%	0.431	S	S	*	.	H	α-helix	trans	-58.2	-40	177.4	-69.3	-11.6	0	0	0	111.4	E634 I635 S640 D641 E642	E634-N638 VanDerWaalsContact O-CG 3.3Å; E634-N638 PolarHBondContact O-N 3.34Å; I635-N638 PolarHBondContact O-N 2.86Å; N638-S640 VanDerWaalsContact C-N 3.35Å; N638-S640 PolarHBondContact O-N 3.18Å; N638-D641 PolarHBondContact O-N 3.38Å; N638-E642 PolarHBondContact O-N 3.46Å
639	Q	69.3	Low	74.8	Confident	57 Å²	57	85.6 Å²	85.6	27%	0.266	46%	0.459	S	S	.	.	H	α-helix	trans	-67.1	-34.2	176.6	-167.4	178.5	27.9	0	0	113.1	P530 I635 K636 M637 D641	P530-Q639 PolarHBondContact O-NE2 2.74Å; I635-Q639 PolarHBondContact O-N 3.34Å; I635-Q639 VanDerWaalsContact O-N 3.13Å; K636-Q639 PolarHBondContact O-N 3.17Å; M637-Q639 PolarHBondContact O-N 2.69Å; Q639-D641 VanDerWaalsContact C-N 3.32Å
640	S	65.6	Low	74.2	Confident	72 Å²	72	87.4 Å²	87.4	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-72	-26.6	175.9	59.3	0	0	0	0	113.4	K636 M637 N638	K636-S640 PolarHBondContact O-N 3.34Å; M637-S640 WeakPolarHBondContact CA-OG 3.42Å; M637-S640 PolarHBondContact O-N 3.34Å; M637-S640 PolarHBondContact O-OG 3.24Å; N638-S640 VanDerWaalsContact C-N 3.35Å; N638-S640 PolarHBondContact O-N 3.18Å
641	D	60.1	Low	73.3	Confident	130 Å²	130	88 Å²	88	70%	0.695	47%	0.467	S	S	*	.	H	α-helix	trans	-82.1	-17	-179.6	-72.2	-14.5	0	0	0	113.1	M637 N638 Q639 V643	M637-D641 PolarHBondContact O-N 3.1Å; N638-D641 PolarHBondContact O-N 3.38Å; Q639-D641 VanDerWaalsContact C-N 3.32Å; D641-V643 VanDerWaalsContact C-N 3.31Å
642	E	52.6	Low	72.4	Confident	176 Å²	176	89.6 Å²	89.6	82%	0.822	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.9	175.3	-75	-171.4	162.4	0	0	114.5	N638	N638-E642 PolarHBondContact O-N 3.46Å
643	V	43.4	Very low	71.4	Confident	165 Å²	165	96.9 Å²	96.9	100%	1	52%	0.518	S	S	*	.			trans	-104.4	0	178	-176.7	0	0	0	0	110.7	D641	D641-V643 VanDerWaalsContact C-N 3.31Å

Retrieved 643 of 643 residues in 156.8 ms (Link to these results)

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