X2JHT0_DROME Loading...

Caspase-8

AlphaFold DB , UniProt , Accession X2JHT0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dredd, Length 440 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	39.4	Very low	54.4	Low	221 Å²	221	138.5 Å²	138.5	100%	1.089	71%	0.714	S	S	*	*				0	108.3	0	-77.4	170.9	157.8	0	0	108.1
2	T	36.5	Very low	56.8	Low	99 Å²	99	136.3 Å²	136.3	61%	0.607	70%	0.704	S	S	*	*			trans	-70	154.4	172.6	38.3	0	0	0	0	109.2	S4 D5	T2-S4 PolarHBondContact O-N 3.26Å; T2-S4 PolarHBondContact OG1-OG 3.19Å; T2-S4 VanDerWaalsContact OG1-OG 3.09Å; T2-D5 PolarHBondContact O-N 3.46Å
3	R	44.4	Very low	59	Low	253 Å²	253	132.9 Å²	132.9	96%	0.955	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	3.1	-175.1	-143.5	178.1	-175.2	-178.8	1.6	114.8
4	S	48.6	Very low	61	Low	86 Å²	86	132.5 Å²	132.5	60%	0.601	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-14.4	-174.2	52.3	0	0	0	0	114.9	T2	T2-S4 PolarHBondContact O-N 3.26Å; T2-S4 PolarHBondContact OG1-OG 3.19Å; T2-S4 VanDerWaalsContact OG1-OG 3.09Å
5	D	44.5	Very low	62.6	Low	106 Å²	106	128.1 Å²	128.1	57%	0.567	65%	0.651	S	S	*	*			trans	-100.3	2.2	-165.9	-56.4	-14.4	0	0	0	113.8	T2	T2-D5 PolarHBondContact O-N 3.46Å
6	F	46.9	Very low	64.1	Low	171 Å²	171	121.4 Å²	121.4	75%	0.75	62%	0.621	S	S	*	*	S	Bend	trans	-86	121.6	170.5	-78.6	-84.7	0	0	0	109.1	Q8	F6-Q8 PolarHBondContact O-N 2.99Å; F6-Q8 VanDerWaalsContact O-N 3.08Å
7	P	56.2	Low	65.6	Low	120 Å²	120	123.4 Å²	123.4	78%	0.779	62%	0.624	S	S	*	*			trans	-54.8	122.1	171.6	20.9	-29.3	0	0	0	108.1	S9	P7-S9 PolarHBondContact O-N 3.03Å
8	Q	56.2	Low	66.8	Low	191 Å²	191	121.1 Å²	121.1	89%	0.893	62%	0.621	S	S	*	*			trans	-55.5	115.4	176.4	-86.8	-176.7	-19.2	0	0	108.1	F6 D10	F6-Q8 PolarHBondContact O-N 2.99Å; F6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-D10 PolarHBondContact O-N 2.85Å
9	S	62.1	Low	67.7	Low	92 Å²	92	120.8 Å²	120.8	64%	0.643	61%	0.611	S	S	*	*			trans	-63.1	108.7	177.2	179.3	0	0	0	0	109.3	P7 L11	P7-S9 PolarHBondContact O-N 3.03Å; S9-L11 PolarHBondContact O-N 3.47Å; S9-L11 WeakPolarHBondContact OG-CD1 3.42Å; S9-L11 WeakPolarHBondContact OG-CG 3.26Å
10	D	80.4	Confident	68.4	Low	60 Å²	60	118.9 Å²	118.9	32%	0.321	61%	0.607	S	S	.	*			trans	-83.8	10.8	-178.7	-166	43	0	0	0	112.4	Q8 L12 I13 K14	Q8-D10 PolarHBondContact O-N 2.85Å; D10-L12 PolarHBondContact O-N 2.81Å; D10-I13 PolarHBondContact O-N 3.35Å; D10-I13 WeakPolarHBondContact OD1-CB 3.42Å; D10-I13 WeakPolarHBondContact OD1-CD1 3.38Å; D10-I13 VanDerWaalsContact OD1-CG2 3.23Å; D10-I13 WeakPolarHBondContact OD1-CG2 3.27Å; D10-K14 WeakPolarHBondContact O-CB 3.34Å; D10-K14 WeakPolarHBondContact O-CG 3.39Å; D10-K14 PolarHBondContact O-N 3.25Å; D10-K14 WeakPolarHBondContact OD2-CE 3.1Å
11	L	83.1	Confident	68.9	Low	124 Å²	124	120.9 Å²	120.9	65%	0.649	61%	0.614	S	S	*	*	H	α-helix	trans	-59.7	-44.5	-171.8	-72.5	173.6	0	0	0	113	S9 I13 K14 F15	S9-L11 PolarHBondContact O-N 3.47Å; S9-L11 WeakPolarHBondContact OG-CD1 3.42Å; S9-L11 WeakPolarHBondContact OG-CG 3.26Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-K14 PolarHBondContact O-N 2.87Å; L11-F15 WeakPolarHBondContact O-CB 3.18Å; L11-F15 PolarHBondContact O-N 3.11Å
12	L	83.6	Confident	71	Confident	113 Å²	113	113.1 Å²	113.1	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-68.5	-35.1	179.4	-68.2	178.9	0	0	0	112.2	D10 F15 A16 L27	D10-L12 PolarHBondContact O-N 2.81Å; L12-F15 PolarHBondContact O-N 2.96Å; L12-A16 WeakPolarHBondContact O-CB 3.2Å; L12-A16 PolarHBondContact O-N 3.27Å; L12-L27 HydrophobicContact CD2-CD1 3.98Å
13	I	85.3	Confident	73.5	Confident	92 Å²	92	112.5 Å²	112.5	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-70.8	-41.7	177	-67.8	167.2	0	0	0	109.9	D10 L11 F15 A16 K17	D10-I13 PolarHBondContact O-N 3.35Å; D10-I13 WeakPolarHBondContact OD1-CB 3.42Å; D10-I13 WeakPolarHBondContact OD1-CD1 3.38Å; D10-I13 VanDerWaalsContact OD1-CG2 3.23Å; D10-I13 WeakPolarHBondContact OD1-CG2 3.27Å; L11-I13 VanDerWaalsContact C-N 3.34Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 3.41Å; I13-A16 PolarHBondContact O-N 2.91Å; I13-K17 HydrophobicContact CG2-CD 4.21Å; I13-K17 WeakPolarHBondContact O-CB 3.38Å; I13-K17 WeakPolarHBondContact O-CG 3.4Å; I13-K17 PolarHBondContact O-N 3.02Å
14	K	87.3	Confident	75.4	Confident	127 Å²	127	108.1 Å²	108.1	55%	0.552	55%	0.55	S	S	*	.	H	α-helix	trans	-60.1	-42.3	172.5	-72.7	176.6	-178.3	-179.4	0	111.8	D10 L11 K17 S18	D10-K14 WeakPolarHBondContact O-CB 3.34Å; D10-K14 WeakPolarHBondContact O-CG 3.39Å; D10-K14 PolarHBondContact O-N 3.25Å; D10-K14 WeakPolarHBondContact OD2-CE 3.1Å; L11-K14 PolarHBondContact O-N 2.87Å; K14-K17 PolarHBondContact O-N 3.33Å; K14-S18 PolarHBondContact O-N 3.44Å; K14-S18 VanDerWaalsContact O-N 3.1Å
15	F	85.2	Confident	77.3	Confident	67 Å²	67	111.2 Å²	111.2	29%	0.294	55%	0.548	S	S	.	.	H	α-helix	trans	-64	-43.1	174.1	179.7	-99.2	0	0	0	112.2	L11 L12 I13 K17 S18 R19 W23 H26	L11-F15 WeakPolarHBondContact O-CB 3.18Å; L11-F15 PolarHBondContact O-N 3.11Å; L12-F15 PolarHBondContact O-N 2.96Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 3.41Å; F15-K17 VanDerWaalsContact C-N 3.33Å; F15-K17 PolarHBondContact O-N 3.01Å; F15-S18 PolarHBondContact O-N 3.23Å; F15-S18 PolarHBondContact O-OG 2.82Å; F15-R19 PolarHBondContact O-N 3.2Å; F15-W23 HydrophobicContact CD1-CB 4.04Å; F15-W23 HydrophobicContact CE1-CB 3.87Å; F15-H26 HydrophobicContact CE1-CB 4.11Å; F15-H26 HydrophobicContact CZ-CB 3.99Å
16	A	86.9	Confident	79.6	Confident	20 Å²	20	107.7 Å²	107.7	17%	0.165	53%	0.528	C	S	.	.	H	α-helix	trans	-62	-41.3	176.6	0	0	0	0	0	112	L12 I13 S18 R19 P20 W23	L12-A16 WeakPolarHBondContact O-CB 3.2Å; L12-A16 PolarHBondContact O-N 3.27Å; I13-A16 PolarHBondContact O-N 2.91Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.25Å; A16-R19 CarbonylContact O-C 3.53Å; A16-R19 PolarHBondContact O-N 2.78Å; A16-P20 WeakPolarHBondContact O-CA 3.37Å; A16-W23 HydrophobicContact CB-CB 4.29Å; A16-W23 HydrophobicContact CB-CD2 3.61Å; A16-W23 HydrophobicContact CB-CE3 3.98Å; A16-W23 HydrophobicContact CB-CG 3.74Å
17	K	88.8	Confident	81.7	Confident	155 Å²	155	101.5 Å²	101.5	67%	0.674	50%	0.502	S	S	*	.	H	α-helix	trans	-65.5	-32.7	176.7	-74.9	175	179.2	174.3	0	113.4	I13 K14 F15 R19	I13-K17 HydrophobicContact CG2-CD 4.21Å; I13-K17 WeakPolarHBondContact O-CB 3.38Å; I13-K17 WeakPolarHBondContact O-CG 3.4Å; I13-K17 PolarHBondContact O-N 3.02Å; K14-K17 PolarHBondContact O-N 3.33Å; F15-K17 VanDerWaalsContact C-N 3.33Å; F15-K17 PolarHBondContact O-N 3.01Å; K17-R19 VanDerWaalsContact C-N 3.32Å
18	S	88	Confident	83.5	Confident	82 Å²	82	96.2 Å²	96.2	57%	0.573	47%	0.468	S	S	*	.	H	α-helix	trans	-79	-16.1	178.7	68.6	0	0	0	0	113.5	K14 F15 A16	K14-S18 PolarHBondContact O-N 3.44Å; K14-S18 VanDerWaalsContact O-N 3.1Å; F15-S18 PolarHBondContact O-N 3.23Å; F15-S18 PolarHBondContact O-OG 2.82Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.25Å
19	R	83.4	Confident	85.4	Confident	116 Å²	116	87.1 Å²	87.1	44%	0.438	43%	0.425	S	S	.	.			trans	-141.4	61.7	-178.1	-63.4	-173.5	179.4	-166.8	-0.4	112.3	F15 A16 K17 E21 T22 W23 H26	F15-R19 PolarHBondContact O-N 3.2Å; A16-R19 CarbonylContact O-C 3.53Å; A16-R19 PolarHBondContact O-N 2.78Å; K17-R19 VanDerWaalsContact C-N 3.32Å; R19-E21 VanDerWaalsContact C-N 3.27Å; R19-E21 PolarHBondContact O-N 3.36Å; R19-E21 VanDerWaalsContact O-N 3.14Å; R19-T22 PolarHBondContact O-N 3.01Å; R19-T22 VanDerWaalsContact O-N 3.15Å; R19-W23 HydrophobicContact CB-CB 4.31Å; R19-W23 VanDerWaalsContact O-CB 3.28Å; R19-W23 WeakPolarHBondContact O-CB 3.35Å; R19-W23 VanDerWaalsContact O-CD1 3.24Å; R19-W23 PolarHBondContact O-N 3.04Å; R19-H26 PolarHBondContact NH1-NE2 3.43Å; R19-H26 VanDerWaalsContact NH1-NE2 3.19Å
20	P	81.3	Confident	86.9	Confident	82 Å²	82	84.4 Å²	84.4	53%	0.532	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.5	-168.5	21.2	-32.7	0	0	0	114.1	A16 W23	A16-P20 WeakPolarHBondContact O-CA 3.37Å; P20-W23 PolarHBondContact O-NE1 2.9Å
21	E	80.1	Confident	87.6	Confident	162 Å²	162	82.4 Å²	82.4	76%	0.757	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-23.7	-176.7	-56.5	-49.5	137.7	0	0	114.2	R19	R19-E21 VanDerWaalsContact C-N 3.27Å; R19-E21 PolarHBondContact O-N 3.36Å; R19-E21 VanDerWaalsContact O-N 3.14Å
22	T	82.9	Confident	88.1	Confident	58 Å²	58	76.6 Å²	76.6	36%	0.356	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-11.9	-168.3	61	0	0	0	0	114.9	R19 R24 R25 H26	R19-T22 PolarHBondContact O-N 3.01Å; R19-T22 VanDerWaalsContact O-N 3.15Å; T22-R24 PolarHBondContact O-N 2.86Å; T22-R24 VanDerWaalsContact O-N 3.14Å; T22-R25 PolarHBondContact O-N 3.39Å; T22-H26 PolarHBondContact O-N 3.13Å; T22-H26 PolarHBondContact O-ND1 3.21Å
23	W	87.6	Confident	88.6	Confident	86 Å²	86	72.4 Å²	72.4	33%	0.326	35%	0.345	S	S	.	.	H	α-helix	trans	-55.9	-36.5	-175.7	71.4	-88.9	0	0	0	112.8	F15 A16 R19 P20 R25 H26 L27	F15-W23 HydrophobicContact CD1-CB 4.04Å; F15-W23 HydrophobicContact CE1-CB 3.87Å; A16-W23 HydrophobicContact CB-CB 4.29Å; A16-W23 HydrophobicContact CB-CD2 3.61Å; A16-W23 HydrophobicContact CB-CE3 3.98Å; A16-W23 HydrophobicContact CB-CG 3.74Å; R19-W23 HydrophobicContact CB-CB 4.31Å; R19-W23 VanDerWaalsContact O-CB 3.28Å; R19-W23 WeakPolarHBondContact O-CB 3.35Å; R19-W23 VanDerWaalsContact O-CD1 3.24Å; R19-W23 PolarHBondContact O-N 3.04Å; P20-W23 PolarHBondContact O-NE1 2.9Å; W23-R25 PolarHBondContact O-N 2.95Å; W23-H26 PolarHBondContact O-N 3.11Å; W23-L27 HydrophobicContact CE3-CB 4.48Å; W23-L27 HydrophobicContact CE3-CD2 4.18Å; W23-L27 HydrophobicContact CZ3-CD2 3.78Å; W23-L27 WeakPolarHBondContact O-CB 3.38Å; W23-L27 PolarHBondContact O-N 3.44Å
24	R	85.9	Confident	89.1	Confident	161 Å²	161	72 Å²	72	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-43.9	-176.4	-164.3	177.7	-177.2	-177.7	-0.2	111.1	T22 L27 V28	T22-R24 PolarHBondContact O-N 2.86Å; T22-R24 VanDerWaalsContact O-N 3.14Å; R24-L27 PolarHBondContact O-N 3.37Å; R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.45Å; R24-V28 PolarHBondContact O-N 2.81Å
25	R	88.4	Confident	89.3	Confident	151 Å²	151	67.7 Å²	67.7	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-67.6	-41.4	179.7	-54.7	-174.6	-175.7	159.6	1.9	111.6	T22 W23 L27 V28 E29 H64	T22-R25 PolarHBondContact O-N 3.39Å; W23-R25 PolarHBondContact O-N 2.95Å; R25-L27 PolarHBondContact O-N 3.47Å; R25-V28 PolarHBondContact O-N 2.76Å; R25-E29 PolarHBondContact O-N 3.19Å; R25-H64 WeakPolarHBondContact CB-CD2 3.28Å; R25-H64 WeakPolarHBondContact CB-NE2 3.45Å
26	H	91.4	Very high	89.7	Confident	31 Å²	31	65.4 Å²	65.4	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-43.9	174.8	-69.2	73.1	0	0	0	112.1	F15 R19 T22 W23 E29 A30 H64	F15-H26 HydrophobicContact CE1-CB 4.11Å; F15-H26 HydrophobicContact CZ-CB 3.99Å; R19-H26 PolarHBondContact NH1-NE2 3.43Å; R19-H26 VanDerWaalsContact NH1-NE2 3.19Å; T22-H26 PolarHBondContact O-N 3.13Å; T22-H26 PolarHBondContact O-ND1 3.21Å; W23-H26 PolarHBondContact O-N 3.11Å; H26-E29 PolarHBondContact O-N 3.07Å; H26-A30 WeakPolarHBondContact O-CB 3.31Å; H26-A30 PolarHBondContact O-N 3.06Å; H26-H64 PolarHBondContact CD2-O 3.44Å; H26-H64 PolarHBondContact NE2-O 3.48Å
27	L	92.6	Very high	89.9	Confident	41 Å²	41	70.7 Å²	70.7	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-44.2	-179.9	-179.4	61.6	0	0	0	111.4	L12 W23 R24 R25 A30 L31	L12-L27 HydrophobicContact CD2-CD1 3.98Å; W23-L27 HydrophobicContact CE3-CB 4.48Å; W23-L27 HydrophobicContact CE3-CD2 4.18Å; W23-L27 HydrophobicContact CZ3-CD2 3.78Å; W23-L27 WeakPolarHBondContact O-CB 3.38Å; W23-L27 PolarHBondContact O-N 3.44Å; R24-L27 PolarHBondContact O-N 3.37Å; R25-L27 PolarHBondContact O-N 3.47Å; L27-A30 PolarHBondContact O-N 3.37Å; L27-L31 HydrophobicContact CD1-CD1 4.49Å; L27-L31 HydrophobicContact CD1-CG 4.37Å; L27-L31 HydrophobicContact CG-CD1 4.2Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.38Å
28	V	93.6	Very high	89.8	Confident	9 Å²	9	71.7 Å²	71.7	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-45.6	178.3	173.4	0	0	0	0	110.6	R24 R25 A30 L31 C32 L40 F45 L50 Y54	R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.45Å; R24-V28 PolarHBondContact O-N 2.81Å; R25-V28 PolarHBondContact O-N 2.76Å; V28-A30 PolarHBondContact O-N 3.47Å; V28-L31 PolarHBondContact O-N 3.19Å; V28-C32 PolarHBondContact O-N 3.12Å; V28-C32 PolarHBondContact O-SG 2.83Å; V28-L40 HydrophobicContact CG1-CD2 4.3Å; V28-F45 HydrophobicContact CG2-CD2 4.46Å; V28-F45 HydrophobicContact CG2-CE1 4.15Å; V28-F45 HydrophobicContact CG2-CE2 3.69Å; V28-F45 HydrophobicContact CG2-CZ 3.51Å; V28-L50 HydrophobicContact CG1-CD1 3.97Å; V28-L50 HydrophobicContact CG1-CD2 3.55Å; V28-L50 HydrophobicContact CG1-CG 4.44Å; V28-Y54 HydrophobicContact CB-CE2 4.47Å; V28-Y54 HydrophobicContact CG1-CD2 4.46Å; V28-Y54 HydrophobicContact CG1-CE2 3.67Å
29	E	94.8	Very high	89.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.9	-175.7	173.7	-167.6	0	0	112.4	R25 H26 L31 C32 I33 Y54 T62 L63 H64 V65	R25-E29 PolarHBondContact O-N 3.19Å; H26-E29 PolarHBondContact O-N 3.07Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 3.21Å; E29-C32 CarbonylContact O-C 3.55Å; E29-C32 WeakPolarHBondContact O-CA 3.37Å; E29-C32 VanDerWaalsContact O-CB 3.24Å; E29-C32 WeakPolarHBondContact O-CB 3.36Å; E29-C32 PolarHBondContact O-N 3.37Å; E29-I33 HydrophobicContact CG-CD1 3.96Å; E29-I33 HydrophobicContact CG-CG1 4.47Å; E29-I33 WeakPolarHBondContact O-CG1 3.26Å; E29-I33 PolarHBondContact O-N 3.33Å; E29-Y54 HydrophobicContact CB-CD1 3.52Å; E29-Y54 HydrophobicContact CB-CE1 3.64Å; E29-Y54 HydrophobicContact CB-CG 4.05Å; E29-Y54 HydrophobicContact CG-CD1 3.49Å; E29-Y54 VanDerWaalsContact CG-CD1 3.49Å; E29-Y54 HydrophobicContact CG-CE1 4.11Å; E29-Y54 HydrophobicContact CG-CG 3.97Å; E29-T62 VanDerWaalsContact OE1-CA 3.24Å; E29-T62 WeakPolarHBondContact OE1-CA 3.28Å; E29-T62 VanDerWaalsContact OE1-CB 3.27Å; E29-T62 WeakPolarHBondContact OE1-CB 2.92Å; E29-L63 PolarHBondContact OE1-N 2.94Å; E29-H64 WeakPolarHBondContact OE2-CA 3.41Å; E29-H64 WeakPolarHBondContact OE2-CB 3.31Å; E29-H64 IonicContact OE2-CD2 3.3Å; E29-H64 IonicContact OE2-CG 3.28Å; E29-H64 PolarHBondContact OE2-N 3.1Å; E29-V65 HydrophobicContact CB-CG2 3.95Å; E29-V65 HydrophobicContact CG-CB 4.26Å; E29-V65 HydrophobicContact CG-CG2 3.82Å; E29-V65 PolarHBondContact OE2-N 2.95Å
30	A	94.4	Very high	90.1	Very high	35 Å²	35	65.7 Å²	65.7	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-59.8	-44.1	176.6	0	0	0	0	0	111.5	H26 L27 V28 C32 I33 I34 V65	H26-A30 WeakPolarHBondContact O-CB 3.31Å; H26-A30 PolarHBondContact O-N 3.06Å; L27-A30 PolarHBondContact O-N 3.37Å; V28-A30 PolarHBondContact O-N 3.47Å; A30-C32 PolarHBondContact O-N 3.1Å; A30-I33 PolarHBondContact O-N 3.05Å; A30-I33 VanDerWaalsContact O-N 3.15Å; A30-I34 WeakPolarHBondContact O-CG1 3.49Å; A30-I34 PolarHBondContact O-N 2.91Å; A30-V65 HydrophobicContact CB-CG2 4.16Å
31	L	95.1	Very high	90	Very high	19 Å²	19	71 Å²	71	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-31.9	173.7	-70.8	172.7	0	0	0	112.1	L27 V28 E29 I34 G35 A36 V39 L40 L43	L27-L31 HydrophobicContact CD1-CD1 4.49Å; L27-L31 HydrophobicContact CD1-CG 4.37Å; L27-L31 HydrophobicContact CG-CD1 4.2Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.38Å; V28-L31 PolarHBondContact O-N 3.19Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 3.21Å; L31-I34 HydrophobicContact CD2-CD1 4.25Å; L31-G35 PolarHBondContact O-N 3.18Å; L31-A36 HydrophobicContact CB-CB 4.38Å; L31-A36 HydrophobicContact CD2-CB 3.74Å; L31-A36 PolarHBondContact O-N 3.44Å; L31-V39 HydrophobicContact CD1-CG1 4.2Å; L31-V39 HydrophobicContact CD2-CG1 4.16Å; L31-L40 HydrophobicContact CB-CD1 4.15Å; L31-L40 HydrophobicContact CB-CD2 3.61Å; L31-L40 HydrophobicContact CB-CG 3.85Å; L31-L40 HydrophobicContact CD1-CD2 3.85Å; L31-L40 HydrophobicContact CD1-CG 4.45Å; L31-L40 HydrophobicContact CG-CD2 4.4Å; L31-L43 HydrophobicContact CD1-CD1 3.96Å
32	C	94.4	Very high	90.1	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.014	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-45.7	173.3	-63.9	0	0	0	0	111.9	V28 E29 A30 G35 W47 P56	V28-C32 PolarHBondContact O-N 3.12Å; V28-C32 PolarHBondContact O-SG 2.83Å; E29-C32 CarbonylContact O-C 3.55Å; E29-C32 WeakPolarHBondContact O-CA 3.37Å; E29-C32 VanDerWaalsContact O-CB 3.24Å; E29-C32 WeakPolarHBondContact O-CB 3.36Å; E29-C32 PolarHBondContact O-N 3.37Å; A30-C32 PolarHBondContact O-N 3.1Å; C32-G35 PolarHBondContact O-N 3.18Å; C32-W47 HydrophobicContact CB-CZ3 4.35Å; C32-W47 VanDerWaalsContact O-CH2 3.27Å; C32-W47 WeakPolarHBondContact O-CH2 3.15Å; C32-P56 HydrophobicContact CB-CB 3.96Å; C32-P56 HydrophobicContact CB-CG 4.1Å; C32-P56 WeakPolarHBondContact O-CB 3.44Å
33	I	94.2	Very high	89.7	Confident	24 Å²	24	76 Å²	76	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-45.7	-179.5	-69.9	164.3	0	0	0	110.9	E29 A30 G35 T62 V65 K70 Y73	E29-I33 HydrophobicContact CG-CD1 3.96Å; E29-I33 HydrophobicContact CG-CG1 4.47Å; E29-I33 WeakPolarHBondContact O-CG1 3.26Å; E29-I33 PolarHBondContact O-N 3.33Å; A30-I33 PolarHBondContact O-N 3.05Å; A30-I33 VanDerWaalsContact O-N 3.15Å; I33-G35 PolarHBondContact O-N 3.48Å; I33-T62 HydrophobicContact CD1-CG2 4.45Å; I33-V65 HydrophobicContact CD1-CB 3.77Å; I33-V65 HydrophobicContact CD1-CG1 3.75Å; I33-V65 HydrophobicContact CD1-CG2 4.01Å; I33-K70 HydrophobicContact CD1-CB 4.05Å; I33-K70 HydrophobicContact CD1-CD 3.97Å; I33-K70 HydrophobicContact CD1-CG 4.07Å; I33-K70 HydrophobicContact CG1-CD 3.97Å; I33-K70 HydrophobicContact CG1-CG 4.13Å; I33-K70 HydrophobicContact CG2-CB 4.44Å; I33-K70 HydrophobicContact CG2-CG 3.97Å; I33-Y73 HydrophobicContact CG2-CD1 3.72Å; I33-Y73 HydrophobicContact CG2-CE1 4.3Å
34	I	93.9	Very high	89	Confident	83 Å²	83	75 Å²	75	43%	0.426	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2	179.5	73.2	175.6	0	0	0	113.7	A30 L31 A36 Y73	A30-I34 WeakPolarHBondContact O-CG1 3.49Å; A30-I34 PolarHBondContact O-N 2.91Å; L31-I34 HydrophobicContact CD2-CD1 4.25Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 HydrophobicContact CD1-CB 3.97Å; I34-A36 HydrophobicContact CG1-CB 3.82Å; I34-A36 PolarHBondContact O-N 3.37Å; I34-Y73 HydrophobicContact CB-CE1 4.14Å; I34-Y73 HydrophobicContact CG2-CD1 4.36Å; I34-Y73 HydrophobicContact CG2-CE1 3.86Å; I34-Y73 HydrophobicContact CG2-CE2 4.06Å
35	G	92.8	Very high	88.7	Confident	37 Å²	37	70.2 Å²	70.2	38%	0.381	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	28.6	178.2	0	0	0	0	0	114.7	L31 C32 I33 R37	L31-G35 PolarHBondContact O-N 3.18Å; C32-G35 PolarHBondContact O-N 3.18Å; I33-G35 PolarHBondContact O-N 3.48Å; G35-R37 PolarHBondContact O-N 3.1Å
36	A	94.1	Very high	88.2	Confident	20 Å²	20	64.9 Å²	64.9	17%	0.165	33%	0.329	C	S	.	.			trans	-75	53.4	-178.7	0	0	0	0	0	113.1	L31 I34 K38 V39 L40	L31-A36 HydrophobicContact CB-CB 4.38Å; L31-A36 HydrophobicContact CD2-CB 3.74Å; L31-A36 PolarHBondContact O-N 3.44Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 HydrophobicContact CD1-CB 3.97Å; I34-A36 HydrophobicContact CG1-CB 3.82Å; I34-A36 PolarHBondContact O-N 3.37Å; A36-K38 VanDerWaalsContact C-N 3.28Å; A36-K38 PolarHBondContact O-N 2.89Å; A36-V39 HydrophobicContact CB-CB 4.23Å; A36-V39 HydrophobicContact CB-CG2 4.31Å; A36-V39 WeakPolarHBondContact O-CB 3.23Å; A36-V39 PolarHBondContact O-N 3.2Å; A36-L40 PolarHBondContact O-N 3.43Å
37	R	90.8	Very high	87.7	Confident	130 Å²	130	65.1 Å²	65.1	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-56.2	-38.2	-172.5	-60.9	-174	-173.5	168.3	5.7	113.5	G35 R41 W47	G35-R37 PolarHBondContact O-N 3.1Å; R37-R41 VanDerWaalsContact O-CB 3.3Å; R37-R41 WeakPolarHBondContact O-CB 3.34Å; R37-R41 PolarHBondContact O-N 3.1Å; R37-W47 HydrophobicContact CG-CD2 3.74Å; R37-W47 HydrophobicContact CG-CE3 3.68Å; R37-W47 HydrophobicContact CG-CG 4.18Å; R37-W47 HydrophobicContact CG-CH2 4.39Å; R37-W47 HydrophobicContact CG-CZ2 4.48Å; R37-W47 HydrophobicContact CG-CZ3 3.97Å; R37-W47 VanDerWaalsContact NE-CE2 3.29Å
38	K	87.1	Confident	86.9	Confident	177 Å²	177	69 Å²	69	77%	0.77	35%	0.346	S	S	*	.	H	α-helix	trans	-65.8	-39.1	178.6	-68.9	-177.7	-178.4	175.9	0	111.7	A36 R42	A36-K38 VanDerWaalsContact C-N 3.28Å; A36-K38 PolarHBondContact O-N 2.89Å; K38-R42 WeakPolarHBondContact O-CG 3.38Å; K38-R42 PolarHBondContact O-N 3.18Å; K38-R42 VanDerWaalsContact O-N 3.13Å
39	V	88.6	Confident	85.9	Confident	71 Å²	71	72.7 Å²	72.7	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-49.2	177.9	179.3	0	0	0	0	109.5	L31 A36 R41 R42 L43	L31-V39 HydrophobicContact CD1-CG1 4.2Å; L31-V39 HydrophobicContact CD2-CG1 4.16Å; A36-V39 HydrophobicContact CB-CB 4.23Å; A36-V39 HydrophobicContact CB-CG2 4.31Å; A36-V39 WeakPolarHBondContact O-CB 3.23Å; A36-V39 PolarHBondContact O-N 3.2Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 3.39Å; V39-R42 PolarHBondContact O-N 3.26Å; V39-R42 VanDerWaalsContact O-N 3.07Å; V39-L43 HydrophobicContact CG1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CG 3.28Å; V39-L43 PolarHBondContact O-N 3.24Å
40	L	87	Confident	85.4	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-55.6	-45.5	176.9	-72.5	169.9	0	0	0	112.2	V28 L31 A36 R42 L43 G44 F45 W47 L50	V28-L40 HydrophobicContact CG1-CD2 4.3Å; L31-L40 HydrophobicContact CB-CD1 4.15Å; L31-L40 HydrophobicContact CB-CD2 3.61Å; L31-L40 HydrophobicContact CB-CG 3.85Å; L31-L40 HydrophobicContact CD1-CD2 3.85Å; L31-L40 HydrophobicContact CD1-CG 4.45Å; L31-L40 HydrophobicContact CG-CD2 4.4Å; A36-L40 PolarHBondContact O-N 3.43Å; L40-R42 PolarHBondContact O-N 3.06Å; L40-L43 CarbonylContact O-C 3.57Å; L40-L43 PolarHBondContact O-N 3.36Å; L40-L43 VanDerWaalsContact O-N 3.16Å; L40-G44 PolarHBondContact O-N 3.03Å; L40-F45 HydrophobicContact CB-CB 4.36Å; L40-F45 HydrophobicContact CD2-CB 4.49Å; L40-F45 HydrophobicContact CD2-CD2 4.09Å; L40-F45 WeakPolarHBondContact O-CB 3.36Å; L40-F45 PolarHBondContact O-N 3.36Å; L40-W47 HydrophobicContact CD1-CE3 3.75Å; L40-W47 HydrophobicContact CD1-CZ3 3.87Å; L40-L50 HydrophobicContact CB-CD1 4.39Å; L40-L50 HydrophobicContact CD1-CD1 3.94Å; L40-L50 HydrophobicContact CD2-CD1 3.69Å; L40-L50 HydrophobicContact CG-CD1 4.22Å
41	R	81.1	Confident	84.9	Confident	193 Å²	193	76.7 Å²	76.7	73%	0.728	37%	0.371	S	S	*	.	H	α-helix	trans	-60.9	-42.3	175.9	-171.2	-175	-60.8	-177.4	-2.5	112.3	R37 V39 L43 G44	R37-R41 VanDerWaalsContact O-CB 3.3Å; R37-R41 WeakPolarHBondContact O-CB 3.34Å; R37-R41 PolarHBondContact O-N 3.1Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 3.39Å; R41-L43 VanDerWaalsContact C-N 3.26Å; R41-L43 PolarHBondContact O-N 3.14Å; R41-G44 PolarHBondContact O-N 3.37Å; R41-G44 VanDerWaalsContact O-N 3.12Å
42	R	80.6	Confident	84.2	Confident	227 Å²	227	80.6 Å²	80.6	86%	0.857	39%	0.39	S	S	*	.	H	α-helix	trans	-66.9	-28	177	-77.5	-178.1	177	-168.4	-0.9	113.1	K38 V39 L40 G44	K38-R42 WeakPolarHBondContact O-CG 3.38Å; K38-R42 PolarHBondContact O-N 3.18Å; K38-R42 VanDerWaalsContact O-N 3.13Å; V39-R42 PolarHBondContact O-N 3.26Å; V39-R42 VanDerWaalsContact O-N 3.07Å; L40-R42 PolarHBondContact O-N 3.06Å; R42-G44 PolarHBondContact O-N 3.16Å
43	L	76.1	Confident	83.5	Confident	98 Å²	98	85.5 Å²	85.5	51%	0.513	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4.1	174.5	-66.1	173.9	0	0	0	113	L31 V39 L40 R41 F45	L31-L43 HydrophobicContact CD1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CG 3.28Å; V39-L43 PolarHBondContact O-N 3.24Å; L40-L43 CarbonylContact O-C 3.57Å; L40-L43 PolarHBondContact O-N 3.36Å; L40-L43 VanDerWaalsContact O-N 3.16Å; R41-L43 VanDerWaalsContact C-N 3.26Å; R41-L43 PolarHBondContact O-N 3.14Å; L43-F45 HydrophobicContact CB-CD2 3.63Å; L43-F45 HydrophobicContact CB-CE2 3.72Å; L43-F45 HydrophobicContact CD1-CE2 4.41Å
44	G	73.1	Confident	83.3	Confident	66 Å²	66	85.1 Å²	85.1	68%	0.68	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	13	177.7	0	0	0	0	0	114.8	L40 R41 R42	L40-G44 PolarHBondContact O-N 3.03Å; R41-G44 PolarHBondContact O-N 3.37Å; R41-G44 VanDerWaalsContact O-N 3.12Å; R42-G44 PolarHBondContact O-N 3.16Å
45	F	78.8	Confident	83	Confident	59 Å²	59	83.1 Å²	83.1	26%	0.259	40%	0.4	S	S	.	.			trans	-95.5	142	-179.7	-61	-74.6	0	0	0	113.5	V28 L40 L43 L50	V28-F45 HydrophobicContact CG2-CD2 4.46Å; V28-F45 HydrophobicContact CG2-CE1 4.15Å; V28-F45 HydrophobicContact CG2-CE2 3.69Å; V28-F45 HydrophobicContact CG2-CZ 3.51Å; L40-F45 HydrophobicContact CB-CB 4.36Å; L40-F45 HydrophobicContact CD2-CB 4.49Å; L40-F45 HydrophobicContact CD2-CD2 4.09Å; L40-F45 WeakPolarHBondContact O-CB 3.36Å; L40-F45 PolarHBondContact O-N 3.36Å; L43-F45 HydrophobicContact CB-CD2 3.63Å; L43-F45 HydrophobicContact CB-CE2 3.72Å; L43-F45 HydrophobicContact CD1-CE2 4.41Å; F45-L50 HydrophobicContact CB-CD1 3.46Å; F45-L50 VanDerWaalsContact CB-CD1 3.46Å; F45-L50 HydrophobicContact CB-CG 4.24Å; F45-L50 HydrophobicContact CD1-CD1 4.41Å; F45-L50 HydrophobicContact CD1-CD2 4.4Å; F45-L50 HydrophobicContact CG-CD1 4.01Å
46	C	78.3	Confident	82.8	Confident	40 Å²	40	81.9 Å²	81.9	27%	0.27	39%	0.385	S	S	.	.			trans	-85.7	122.7	171.7	-178.8	0	0	0	0	111.1	Q48 E49 L50	C46-Q48 VanDerWaalsContact C-N 3.34Å; C46-Q48 PolarHBondContact O-N 3.28Å; C46-E49 HydrophobicContact CB-CB 4.16Å; C46-E49 HydrophobicContact CB-CG 3.98Å; C46-E49 PolarHBondContact O-N 3.38Å; C46-L50 WeakPolarHBondContact O-CB 3.43Å; C46-L50 VanDerWaalsContact O-CG 3.29Å; C46-L50 WeakPolarHBondContact O-CG 3.5Å; C46-L50 PolarHBondContact O-N 3.08Å; C46-L50 VanDerWaalsContact O-N 3.1Å
47	W	81.2	Confident	82.3	Confident	36 Å²	36	84.6 Å²	84.6	14%	0.136	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-38.1	-178.2	171.6	-103.1	0	0	0	112.8	C32 R37 L40 L50 R51 P56	C32-W47 HydrophobicContact CB-CZ3 4.35Å; C32-W47 VanDerWaalsContact O-CH2 3.27Å; C32-W47 WeakPolarHBondContact O-CH2 3.15Å; R37-W47 HydrophobicContact CG-CD2 3.74Å; R37-W47 HydrophobicContact CG-CE3 3.68Å; R37-W47 HydrophobicContact CG-CG 4.18Å; R37-W47 HydrophobicContact CG-CH2 4.39Å; R37-W47 HydrophobicContact CG-CZ2 4.48Å; R37-W47 HydrophobicContact CG-CZ3 3.97Å; R37-W47 VanDerWaalsContact NE-CE2 3.29Å; L40-W47 HydrophobicContact CD1-CE3 3.75Å; L40-W47 HydrophobicContact CD1-CZ3 3.87Å; W47-L50 PolarHBondContact O-N 2.97Å; W47-R51 WeakPolarHBondContact O-CB 3.35Å; W47-R51 PolarHBondContact O-N 3.07Å; W47-P56 HydrophobicContact CH2-CG 4.24Å
48	Q	74.9	Confident	81.9	Confident	121 Å²	121	81.7 Å²	81.7	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-45.5	-178.4	-78.8	79.1	-18	0	0	111.1	C46 R51 M52	C46-Q48 VanDerWaalsContact C-N 3.34Å; C46-Q48 PolarHBondContact O-N 3.28Å; Q48-R51 PolarHBondContact O-N 3.05Å; Q48-M52 WeakPolarHBondContact O-CG 3.23Å; Q48-M52 PolarHBondContact O-N 2.86Å; Q48-M52 VanDerWaalsContact O-N 3.1Å
49	E	72.8	Confident	81.2	Confident	88 Å²	88	75.2 Å²	75.2	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-51.7	174.8	-70	167.4	-161	0	0	111.2	C46 R51 M52 H53	C46-E49 HydrophobicContact CB-CB 4.16Å; C46-E49 HydrophobicContact CB-CG 3.98Å; C46-E49 PolarHBondContact O-N 3.38Å; E49-R51 PolarHBondContact O-N 2.82Å; E49-M52 PolarHBondContact O-N 3.23Å; E49-H53 WeakPolarHBondContact O-CB 3.34Å; E49-H53 PolarHBondContact O-N 2.84Å
50	L	84	Confident	80.5	Confident	15 Å²	15	72.2 Å²	72.2	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-33.8	178.8	-70	-177.4	0	0	0	112.3	V28 L40 F45 C46 W47 M52 H53 Y54	V28-L50 HydrophobicContact CG1-CD1 3.97Å; V28-L50 HydrophobicContact CG1-CD2 3.55Å; V28-L50 HydrophobicContact CG1-CG 4.44Å; L40-L50 HydrophobicContact CB-CD1 4.39Å; L40-L50 HydrophobicContact CD1-CD1 3.94Å; L40-L50 HydrophobicContact CD2-CD1 3.69Å; L40-L50 HydrophobicContact CG-CD1 4.22Å; F45-L50 HydrophobicContact CB-CD1 3.46Å; F45-L50 VanDerWaalsContact CB-CD1 3.46Å; F45-L50 HydrophobicContact CB-CG 4.24Å; F45-L50 HydrophobicContact CD1-CD1 4.41Å; F45-L50 HydrophobicContact CD1-CD2 4.4Å; F45-L50 HydrophobicContact CG-CD1 4.01Å; C46-L50 WeakPolarHBondContact O-CB 3.43Å; C46-L50 VanDerWaalsContact O-CG 3.29Å; C46-L50 WeakPolarHBondContact O-CG 3.5Å; C46-L50 PolarHBondContact O-N 3.08Å; C46-L50 VanDerWaalsContact O-N 3.1Å; W47-L50 PolarHBondContact O-N 2.97Å; L50-M52 VanDerWaalsContact C-N 3.33Å; L50-H53 PolarHBondContact O-N 3.5Å; L50-Y54 HydrophobicContact CB-CD2 4.35Å; L50-Y54 HydrophobicContact CD2-CD2 3.86Å; L50-Y54 HydrophobicContact CD2-CE2 3.58Å; L50-Y54 WeakPolarHBondContact O-CB 3.41Å; L50-Y54 PolarHBondContact O-N 3.43Å
51	R	84.1	Confident	80.1	Confident	104 Å²	104	75.5 Å²	75.5	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-33.9	176.4	-178.8	178.5	176.2	164.6	2.3	112	W47 Q48 E49 L55 P56 H57	W47-R51 WeakPolarHBondContact O-CB 3.35Å; W47-R51 PolarHBondContact O-N 3.07Å; Q48-R51 PolarHBondContact O-N 3.05Å; E49-R51 PolarHBondContact O-N 2.82Å; R51-L55 VanDerWaalsContact O-CA 3.26Å; R51-L55 WeakPolarHBondContact O-CA 3.33Å; R51-L55 PolarHBondContact O-N 3.14Å; R51-P56 HydrophobicContact CB-CG 4.44Å; R51-P56 HydrophobicContact CG-CG 4.28Å; R51-P56 VanDerWaalsContact O-CD 3.31Å; R51-P56 WeakPolarHBondContact O-CD 3.3Å; R51-H57 WeakPolarHBondContact CG-ND1 3.48Å
52	M	80.3	Confident	80.3	Confident	100 Å²	100	67.4 Å²	67.4	49%	0.493	34%	0.339	S	S	.	.	H	α-helix	trans	-78.2	-38.5	175.4	-67.5	-56.8	-66.1	0	0	111.6	Q48 E49 L50 L55	Q48-M52 WeakPolarHBondContact O-CG 3.23Å; Q48-M52 PolarHBondContact O-N 2.86Å; Q48-M52 VanDerWaalsContact O-N 3.1Å; E49-M52 PolarHBondContact O-N 3.23Å; L50-M52 VanDerWaalsContact C-N 3.33Å; M52-L55 WeakPolarHBondContact O-CD2 3.39Å; M52-L55 WeakPolarHBondContact O-CG 3.4Å
53	H	80.9	Confident	80.5	Confident	105 Å²	105	60.5 Å²	60.5	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-70.5	-54.7	-179.9	-179.2	-89.3	0	0	0	112.2	E49 L50 L63	E49-H53 WeakPolarHBondContact O-CB 3.34Å; E49-H53 PolarHBondContact O-N 2.84Å; L50-H53 PolarHBondContact O-N 3.5Å; H53-L63 WeakPolarHBondContact CE1-CD1 3.25Å; H53-L63 WeakPolarHBondContact O-CD1 3.44Å
54	Y	88.7	Confident	81.2	Confident	17 Å²	17	58 Å²	58	7%	0.067	30%	0.304	C	S	.	.	S	Bend	trans	-90.7	-5.7	-174.8	-67.7	-68.3	0	0	0	114	V28 E29 L50 P56 L63 H64	V28-Y54 HydrophobicContact CB-CE2 4.47Å; V28-Y54 HydrophobicContact CG1-CD2 4.46Å; V28-Y54 HydrophobicContact CG1-CE2 3.67Å; E29-Y54 HydrophobicContact CB-CD1 3.52Å; E29-Y54 HydrophobicContact CB-CE1 3.64Å; E29-Y54 HydrophobicContact CB-CG 4.05Å; E29-Y54 HydrophobicContact CG-CD1 3.49Å; E29-Y54 VanDerWaalsContact CG-CD1 3.49Å; E29-Y54 HydrophobicContact CG-CE1 4.11Å; E29-Y54 HydrophobicContact CG-CG 3.97Å; L50-Y54 HydrophobicContact CB-CD2 4.35Å; L50-Y54 HydrophobicContact CD2-CD2 3.86Å; L50-Y54 HydrophobicContact CD2-CE2 3.58Å; L50-Y54 WeakPolarHBondContact O-CB 3.41Å; L50-Y54 PolarHBondContact O-N 3.43Å; Y54-P56 VanDerWaalsContact C-CD 3.43Å; Y54-L63 HydrophobicContact CD1-CB 4.24Å; Y54-L63 HydrophobicContact CD1-CD1 3.76Å; Y54-L63 HydrophobicContact CD1-CG 4.36Å; Y54-L63 HydrophobicContact CE1-CB 4.36Å; Y54-L63 HydrophobicContact CE1-CD1 3.98Å; Y54-H64 AromaticContact CE1-CD2 3.6Å; Y54-H64 AromaticContact CE1-NE2 3.86Å
55	L	86.9	Confident	82.1	Confident	41 Å²	41	55.8 Å²	55.8	22%	0.215	28%	0.277	C	S	.	.			trans	41.2	49	-178.1	-61.7	170.3	0	0	0	112.5	R51 M52 H57 I58 I61 K70	R51-L55 VanDerWaalsContact O-CA 3.26Å; R51-L55 WeakPolarHBondContact O-CA 3.33Å; R51-L55 PolarHBondContact O-N 3.14Å; M52-L55 WeakPolarHBondContact O-CD2 3.39Å; M52-L55 WeakPolarHBondContact O-CG 3.4Å; L55-H57 PolarHBondContact O-N 3.13Å; L55-I58 HydrophobicContact CB-CB 4.47Å; L55-I58 HydrophobicContact CB-CD1 4.31Å; L55-I58 HydrophobicContact CB-CG1 4.43Å; L55-I58 HydrophobicContact CD1-CD1 4.33Å; L55-I58 HydrophobicContact CD2-CD1 4.16Å; L55-I58 PolarHBondContact O-N 2.83Å; L55-I61 HydrophobicContact CB-CG2 4.28Å; L55-I61 HydrophobicContact CD1-CD1 3.97Å; L55-I61 HydrophobicContact CD1-CG2 4Å; L55-K70 PolarHBondContact O-NZ 3.34Å
56	P	89.4	Confident	82.7	Confident	10 Å²	10	54.2 Å²	54.2	7%	0.065	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.1	-171.8	29.3	-36.5	0	0	0	112.3	C32 W47 R51 Y54 K70 R74	C32-P56 HydrophobicContact CB-CB 3.96Å; C32-P56 HydrophobicContact CB-CG 4.1Å; C32-P56 WeakPolarHBondContact O-CB 3.44Å; W47-P56 HydrophobicContact CH2-CG 4.24Å; R51-P56 HydrophobicContact CB-CG 4.44Å; R51-P56 HydrophobicContact CG-CG 4.28Å; R51-P56 VanDerWaalsContact O-CD 3.31Å; R51-P56 WeakPolarHBondContact O-CD 3.3Å; Y54-P56 VanDerWaalsContact C-CD 3.43Å; P56-K70 WeakPolarHBondContact O-CE 3.5Å; P56-R74 PolarHBondContact O-NH2 3.4Å
57	H	82.8	Confident	83.4	Confident	78 Å²	78	52.3 Å²	52.3	36%	0.361	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.5	179.1	63.1	-77.1	0	0	0	114.1	R51 L55 R74	R51-H57 WeakPolarHBondContact CG-ND1 3.48Å; L55-H57 PolarHBondContact O-N 3.13Å; H57-R74 PolarHBondContact O-NH1 3.04Å; H57-R74 PolarHBondContact O-NH2 3.36Å
58	I	82.8	Confident	83.9	Confident	68 Å²	68	50.6 Å²	50.6	35%	0.349	25%	0.252	S	S	.	.	S	Bend	trans	-97.8	122.5	172.8	-55.5	-179.6	0	0	0	109.3	L55 G60 I61 K70	L55-I58 HydrophobicContact CB-CB 4.47Å; L55-I58 HydrophobicContact CB-CD1 4.31Å; L55-I58 HydrophobicContact CB-CG1 4.43Å; L55-I58 HydrophobicContact CD1-CD1 4.33Å; L55-I58 HydrophobicContact CD2-CD1 4.16Å; L55-I58 PolarHBondContact O-N 2.83Å; I58-G60 PolarHBondContact O-N 3.21Å; I58-I61 HydrophobicContact CB-CD1 4.25Å; I58-I61 HydrophobicContact CD1-CD1 4.13Å; I58-I61 HydrophobicContact CG2-CD1 3.76Å; I58-I61 HydrophobicContact CG2-CG1 3.95Å; I58-K70 WeakPolarHBondContact O-CE 3.25Å; I58-K70 PolarHBondContact O-NZ 2.7Å
59	A	73.2	Confident	84.8	Confident	41 Å²	41	48 Å²	48	34%	0.339	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	115.7	-179.3	0	0	0	0	0	108.8	L155	A59-L155 HydrophobicContact CB-CD1 3.34Å
60	G	73	Confident	85.8	Confident	8 Å²	8	43.9 Å²	43.9	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.1	-17.2	-177.4	0	0	0	0	0	115.5	I58 N163	I58-G60 PolarHBondContact O-N 3.21Å; G60-N163 PolarHBondContact O-ND2 3.33Å; G60-N163 VanDerWaalsContact O-ND2 3.14Å
61	I	80.3	Confident	86.2	Confident	71 Å²	71	43.2 Å²	43.2	36%	0.364	22%	0.218	S	C	.	.			trans	-99.6	121.9	172.7	-57.7	178.6	0	0	0	109.4	L55 I58 K70	L55-I61 HydrophobicContact CB-CG2 4.28Å; L55-I61 HydrophobicContact CD1-CD1 3.97Å; L55-I61 HydrophobicContact CD1-CG2 4Å; I58-I61 HydrophobicContact CB-CD1 4.25Å; I58-I61 HydrophobicContact CD1-CD1 4.13Å; I58-I61 HydrophobicContact CG2-CD1 3.76Å; I58-I61 HydrophobicContact CG2-CG1 3.95Å; I61-K70 PolarHBondContact O-NZ 3.1Å
62	T	84.5	Confident	86.6	Confident	22 Å²	22	38.3 Å²	38.3	14%	0.135	20%	0.2	C	C	.	.			trans	-143.7	153.8	169.6	53.3	0	0	0	0	109.7	E29 I33 V65 P67 K70	E29-T62 VanDerWaalsContact OE1-CA 3.24Å; E29-T62 WeakPolarHBondContact OE1-CA 3.28Å; E29-T62 VanDerWaalsContact OE1-CB 3.27Å; E29-T62 WeakPolarHBondContact OE1-CB 2.92Å; I33-T62 HydrophobicContact CD1-CG2 4.45Å; T62-V65 WeakPolarHBondContact CB-O 3.47Å; T62-V65 PolarHBondContact OG1-O 3.1Å; T62-P67 WeakPolarHBondContact OG1-CA 3.49Å; T62-P67 WeakPolarHBondContact OG1-CB 3.34Å; T62-P67 WeakPolarHBondContact OG1-CD 3.12Å; T62-K70 HydrophobicContact CG2-CB 3.85Å; T62-K70 HydrophobicContact CG2-CD 3.31Å; T62-K70 HydrophobicContact CG2-CG 4.23Å
63	L	85.4	Confident	87.2	Confident	82 Å²	82	36.3 Å²	36.3	43%	0.429	19%	0.188	S	C	.	.	S	Bend	trans	-103.6	-38	-178.5	-69.3	177.3	0	0	0	112.8	E29 H53 Y54	E29-L63 PolarHBondContact OE1-N 2.94Å; H53-L63 WeakPolarHBondContact CE1-CD1 3.25Å; H53-L63 WeakPolarHBondContact O-CD1 3.44Å; Y54-L63 HydrophobicContact CD1-CB 4.24Å; Y54-L63 HydrophobicContact CD1-CD1 3.76Å; Y54-L63 HydrophobicContact CD1-CG 4.36Å; Y54-L63 HydrophobicContact CE1-CB 4.36Å; Y54-L63 HydrophobicContact CE1-CD1 3.98Å
64	H	89.8	Confident	87.7	Confident	46 Å²	46	33.7 Å²	33.7	21%	0.213	17%	0.173	C	C	.	.	S	Bend	trans	-135.9	-33.6	-172.8	-48.1	-48.8	0	0	0	112	R25 H26 E29 Y54	R25-H64 WeakPolarHBondContact CB-CD2 3.28Å; R25-H64 WeakPolarHBondContact CB-NE2 3.45Å; H26-H64 PolarHBondContact CD2-O 3.44Å; H26-H64 PolarHBondContact NE2-O 3.48Å; E29-H64 WeakPolarHBondContact OE2-CA 3.41Å; E29-H64 WeakPolarHBondContact OE2-CB 3.31Å; E29-H64 IonicContact OE2-CD2 3.3Å; E29-H64 IonicContact OE2-CG 3.28Å; E29-H64 PolarHBondContact OE2-N 3.1Å; Y54-H64 AromaticContact CE1-CD2 3.6Å; Y54-H64 AromaticContact CE1-NE2 3.86Å
65	V	92	Very high	87.8	Confident	19 Å²	19	33 Å²	33	12%	0.115	17%	0.17	C	C	.	.	S	Bend	trans	-77.7	143.2	172	178.4	0	0	0	0	109.4	E29 A30 I33 T62 L69	E29-V65 HydrophobicContact CB-CG2 3.95Å; E29-V65 HydrophobicContact CG-CB 4.26Å; E29-V65 HydrophobicContact CG-CG2 3.82Å; E29-V65 PolarHBondContact OE2-N 2.95Å; A30-V65 HydrophobicContact CB-CG2 4.16Å; I33-V65 HydrophobicContact CD1-CB 3.77Å; I33-V65 HydrophobicContact CD1-CG1 3.75Å; I33-V65 HydrophobicContact CD1-CG2 4.01Å; T62-V65 WeakPolarHBondContact CB-O 3.47Å; T62-V65 PolarHBondContact OG1-O 3.1Å; V65-L69 HydrophobicContact CG1-CD2 4.31Å
66	H	92.1	Very high	88.1	Confident	27 Å²	27	31.8 Å²	31.8	13%	0.125	17%	0.166	C	C	.	.			trans	-61.5	130.4	178.8	-169.1	-58.4	0	0	0	111.2	L68 L69 K70 L127 D129	H66-L68 PolarHBondContact ND1-N 2.87Å; H66-L68 VanDerWaalsContact ND1-N 3.13Å; H66-L68 PolarHBondContact O-N 2.89Å; H66-L69 HydrophobicContact CB-CB 3.89Å; H66-L69 WeakPolarHBondContact O-CA 3.39Å; H66-L69 WeakPolarHBondContact O-CB 3.38Å; H66-L69 PolarHBondContact O-N 3.38Å; H66-K70 PolarHBondContact O-N 3.39Å; H66-K70 VanDerWaalsContact O-N 3.11Å; H66-L127 PolarHBondContact CE1-O 3Å; H66-L127 VanDerWaalsContact NE2-CB 3.35Å; H66-L127 WeakPolarHBondContact NE2-CB 3.41Å; H66-L127 PolarHBondContact NE2-O 3.4Å; H66-D129 PolarHBondContact CD2-O 3.07Å; H66-D129 PolarHBondContact NE2-O 3.12Å
67	P	92.3	Very high	88.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-44.8	-174.4	21.3	-32.5	0	0	0	112.5	T62 L69 K70 S71 I130 T159 N163	T62-P67 WeakPolarHBondContact OG1-CA 3.49Å; T62-P67 WeakPolarHBondContact OG1-CB 3.34Å; T62-P67 WeakPolarHBondContact OG1-CD 3.12Å; P67-L69 VanDerWaalsContact C-N 3.28Å; P67-L69 PolarHBondContact O-N 2.88Å; P67-K70 WeakPolarHBondContact O-CB 3.41Å; P67-K70 PolarHBondContact O-N 2.9Å; P67-S71 PolarHBondContact O-N 2.8Å; P67-S71 PolarHBondContact O-OG 3.25Å; P67-I130 VanDerWaalsContact CD-O 3.28Å; P67-I130 WeakPolarHBondContact CD-O 3.39Å; P67-I130 WeakPolarHBondContact CG-O 3.37Å; P67-T159 HydrophobicContact CB-CG2 3.83Å; P67-N163 HydrophobicContact CG-CB 4.46Å
68	L	92.7	Very high	88.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-33.1	172.1	-73	173.9	0	0	0	113.8	H66 S71 L72 L127 A132 V137 L156 T159 I160	H66-L68 PolarHBondContact ND1-N 2.87Å; H66-L68 VanDerWaalsContact ND1-N 3.13Å; H66-L68 PolarHBondContact O-N 2.89Å; L68-S71 PolarHBondContact O-N 2.64Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.23Å; L68-L72 WeakPolarHBondContact O-CG 3.27Å; L68-L72 PolarHBondContact O-N 3.19Å; L68-L127 HydrophobicContact CB-CD2 3.69Å; L68-L127 HydrophobicContact CD1-CD2 4.42Å; L68-L127 WeakPolarHBondContact CD1-O 3.29Å; L68-A132 HydrophobicContact CD1-CB 3.8Å; L68-A132 HydrophobicContact CG-CB 4.11Å; L68-V137 HydrophobicContact CD1-CG1 4.28Å; L68-L156 HydrophobicContact CD2-CD2 4.29Å; L68-T159 HydrophobicContact CD2-CG2 3.79Å; L68-T159 HydrophobicContact CG-CG2 4.11Å; L68-I160 HydrophobicContact CD1-CG1 4.23Å; L68-I160 HydrophobicContact CD2-CG1 3.99Å
69	L	93.2	Very high	88.9	Confident	67 Å²	67	36 Å²	36	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-67.2	-40	176.9	-172.9	63.9	0	0	0	111.2	V65 H66 P67 L72 Y73 L120 L127	V65-L69 HydrophobicContact CG1-CD2 4.31Å; H66-L69 HydrophobicContact CB-CB 3.89Å; H66-L69 WeakPolarHBondContact O-CA 3.39Å; H66-L69 WeakPolarHBondContact O-CB 3.38Å; H66-L69 PolarHBondContact O-N 3.38Å; P67-L69 VanDerWaalsContact C-N 3.28Å; P67-L69 PolarHBondContact O-N 2.88Å; L69-L72 PolarHBondContact O-N 2.99Å; L69-Y73 PolarHBondContact O-N 2.72Å; L69-L120 HydrophobicContact CD1-CD1 4.14Å; L69-L127 HydrophobicContact CB-CD1 4.09Å; L69-L127 HydrophobicContact CD1-CD1 4.26Å
70	K	92.6	Very high	89.9	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-45.7	171.4	175.7	176.9	175.8	179.4	0	111.4	I33 L55 P56 I58 I61 T62 H66 P67 Y73 R74	I33-K70 HydrophobicContact CD1-CB 4.05Å; I33-K70 HydrophobicContact CD1-CD 3.97Å; I33-K70 HydrophobicContact CD1-CG 4.07Å; I33-K70 HydrophobicContact CG1-CD 3.97Å; I33-K70 HydrophobicContact CG1-CG 4.13Å; I33-K70 HydrophobicContact CG2-CB 4.44Å; I33-K70 HydrophobicContact CG2-CG 3.97Å; L55-K70 PolarHBondContact O-NZ 3.34Å; P56-K70 WeakPolarHBondContact O-CE 3.5Å; I58-K70 WeakPolarHBondContact O-CE 3.25Å; I58-K70 PolarHBondContact O-NZ 2.7Å; I61-K70 PolarHBondContact O-NZ 3.1Å; T62-K70 HydrophobicContact CG2-CB 3.85Å; T62-K70 HydrophobicContact CG2-CD 3.31Å; T62-K70 HydrophobicContact CG2-CG 4.23Å; H66-K70 PolarHBondContact O-N 3.39Å; H66-K70 VanDerWaalsContact O-N 3.11Å; P67-K70 WeakPolarHBondContact O-CB 3.41Å; P67-K70 PolarHBondContact O-N 2.9Å; K70-Y73 PolarHBondContact O-N 2.88Å; K70-R74 WeakPolarHBondContact O-CG 3.46Å; K70-R74 PolarHBondContact O-N 3.18Å
71	S	92.6	Very high	90.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-39.5	179.8	-62.8	0	0	0	0	112.3	P67 L68 R74 M75 T159	P67-S71 PolarHBondContact O-N 2.8Å; P67-S71 PolarHBondContact O-OG 3.25Å; L68-S71 PolarHBondContact O-N 2.64Å; S71-R74 PolarHBondContact O-N 3.03Å; S71-M75 PolarHBondContact O-N 3.22Å; S71-T159 PolarHBondContact OG-OG1 3.1Å
72	L	92.8	Very high	91.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-44.4	173.3	-75.9	176	0	0	0	112.3	L68 L69 R74 M75 C76 L116 I125 L127 L140 L156	L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.23Å; L68-L72 WeakPolarHBondContact O-CG 3.27Å; L68-L72 PolarHBondContact O-N 3.19Å; L69-L72 PolarHBondContact O-N 2.99Å; L72-R74 PolarHBondContact O-N 3.4Å; L72-M75 HydrophobicContact CD2-CE 3.88Å; L72-M75 WeakPolarHBondContact O-CB 3.33Å; L72-M75 PolarHBondContact O-N 2.9Å; L72-C76 PolarHBondContact O-N 3.3Å; L72-C76 VanDerWaalsContact O-N 3.12Å; L72-C76 PolarHBondContact O-SG 2.93Å; L72-L116 HydrophobicContact CB-CD1 4.06Å; L72-L116 HydrophobicContact CD2-CD1 4.29Å; L72-I125 HydrophobicContact CD1-CD1 4.49Å; L72-L127 HydrophobicContact CD1-CD2 3.66Å; L72-L140 HydrophobicContact CD2-CD1 3.9Å; L72-L156 HydrophobicContact CD2-CD1 4.36Å; L72-L156 HydrophobicContact CD2-CD2 4.01Å; L72-L156 HydrophobicContact CG-CD2 4.32Å
73	Y	93.4	Very high	91.6	Very high	58 Å²	58	45.2 Å²	45.2	23%	0.227	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-44.6	175.9	174.3	-103.2	0	0	0	111.9	I33 I34 L69 K70 M75 C76 E77	I33-Y73 HydrophobicContact CG2-CD1 3.72Å; I33-Y73 HydrophobicContact CG2-CE1 4.3Å; I34-Y73 HydrophobicContact CB-CE1 4.14Å; I34-Y73 HydrophobicContact CG2-CD1 4.36Å; I34-Y73 HydrophobicContact CG2-CE1 3.86Å; I34-Y73 HydrophobicContact CG2-CE2 4.06Å; L69-Y73 PolarHBondContact O-N 2.72Å; K70-Y73 PolarHBondContact O-N 2.88Å; Y73-M75 VanDerWaalsContact C-N 3.29Å; Y73-M75 PolarHBondContact O-N 2.92Å; Y73-C76 WeakPolarHBondContact O-CB 3Å; Y73-C76 PolarHBondContact O-N 3.4Å; Y73-C76 VanDerWaalsContact O-N 3.07Å; Y73-E77 HydrophobicContact CD1-CG 4.47Å; Y73-E77 HydrophobicContact CE1-CG 3.87Å; Y73-E77 HydrophobicContact CE2-CG 4.24Å; Y73-E77 VanDerWaalsContact CZ-OE1 3.3Å; Y73-E77 PolarHBondContact O-N 3.49Å; Y73-E77 VanDerWaalsContact OH-CD 3.27Å; Y73-E77 PolarHBondContact OH-OE1 3.38Å
74	R	91.2	Very high	91.9	Very high	50 Å²	50	41.5 Å²	41.5	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-40	175.4	-77.4	-170.5	173.5	-150	3.3	113.3	P56 H57 K70 S71 L72 C76 E77 E78	P56-R74 PolarHBondContact O-NH2 3.4Å; H57-R74 PolarHBondContact O-NH1 3.04Å; H57-R74 PolarHBondContact O-NH2 3.36Å; K70-R74 WeakPolarHBondContact O-CG 3.46Å; K70-R74 PolarHBondContact O-N 3.18Å; S71-R74 PolarHBondContact O-N 3.03Å; L72-R74 PolarHBondContact O-N 3.4Å; R74-C76 VanDerWaalsContact C-N 3.25Å; R74-C76 PolarHBondContact O-N 3.06Å; R74-E77 PolarHBondContact O-N 3.33Å; R74-E77 VanDerWaalsContact O-N 3.11Å; R74-E78 WeakPolarHBondContact O-CG 3.24Å; R74-E78 PolarHBondContact O-N 3.37Å
75	M	91.4	Very high	91.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-40.9	174.8	-178.7	-175.1	70.3	0	0	110.7	S71 L72 Y73 E77 E78 L79 L87 L116 L144 Q152	S71-M75 PolarHBondContact O-N 3.22Å; L72-M75 HydrophobicContact CD2-CE 3.88Å; L72-M75 WeakPolarHBondContact O-CB 3.33Å; L72-M75 PolarHBondContact O-N 2.9Å; Y73-M75 VanDerWaalsContact C-N 3.29Å; Y73-M75 PolarHBondContact O-N 2.92Å; M75-E77 VanDerWaalsContact C-N 3.31Å; M75-E77 PolarHBondContact O-N 2.93Å; M75-E78 PolarHBondContact O-N 3.44Å; M75-L79 HydrophobicContact CG-CD1 3.74Å; M75-L79 HydrophobicContact CG-CG 4.09Å; M75-L79 VanDerWaalsContact O-CG 3.26Å; M75-L79 WeakPolarHBondContact O-CG 3.44Å; M75-L79 PolarHBondContact O-N 2.93Å; M75-L79 VanDerWaalsContact O-N 3.07Å; M75-L79 HydrophobicContact SD-CD1 4.41Å; M75-L87 HydrophobicContact CE-CD2 4.38Å; M75-L116 HydrophobicContact CE-CD1 4.12Å; M75-L116 HydrophobicContact CE-CD2 4.43Å; M75-L144 HydrophobicContact SD-CD1 3.83Å; M75-L144 HydrophobicContact SD-CD2 4Å; M75-Q152 HydrophobicContact CG-CB 4.2Å; M75-Q152 HydrophobicContact CG-CG 3.9Å; M75-Q152 HydrophobicContact SD-CB 4.36Å
76	C	91.9	Very high	91.8	Very high	17 Å²	17	45.7 Å²	45.7	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-40.3	174	-64.1	0	0	0	0	113	L72 Y73 R74 E78 L112 L116	L72-C76 PolarHBondContact O-N 3.3Å; L72-C76 VanDerWaalsContact O-N 3.12Å; L72-C76 PolarHBondContact O-SG 2.93Å; Y73-C76 WeakPolarHBondContact O-CB 3Å; Y73-C76 PolarHBondContact O-N 3.4Å; Y73-C76 VanDerWaalsContact O-N 3.07Å; R74-C76 VanDerWaalsContact C-N 3.25Å; R74-C76 PolarHBondContact O-N 3.06Å; C76-E78 VanDerWaalsContact C-N 3.33Å; C76-L112 HydrophobicContact CB-CD2 4.5Å; C76-L116 WeakPolarHBondContact SG-CD1 3.28Å
77	E	90.8	Very high	91.6	Very high	129 Å²	129	44.4 Å²	44.4	60%	0.603	22%	0.22	S	C	*	.	H	α-helix	trans	-72.2	-26.1	179.6	-63.6	-72.3	138.4	0	0	113	Y73 R74 M75	Y73-E77 HydrophobicContact CD1-CG 4.47Å; Y73-E77 HydrophobicContact CE1-CG 3.87Å; Y73-E77 HydrophobicContact CE2-CG 4.24Å; Y73-E77 VanDerWaalsContact CZ-OE1 3.3Å; Y73-E77 PolarHBondContact O-N 3.49Å; Y73-E77 VanDerWaalsContact OH-CD 3.27Å; Y73-E77 PolarHBondContact OH-OE1 3.38Å; R74-E77 PolarHBondContact O-N 3.33Å; R74-E77 VanDerWaalsContact O-N 3.11Å; M75-E77 VanDerWaalsContact C-N 3.31Å; M75-E77 PolarHBondContact O-N 2.93Å
78	E	90.8	Very high	91.4	Very high	101 Å²	101	44.5 Å²	44.5	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-90.6	-28.8	-176.6	-72.7	173.9	-168.1	0	0	113.9	R74 M75 C76 Q152	R74-E78 WeakPolarHBondContact O-CG 3.24Å; R74-E78 PolarHBondContact O-N 3.37Å; M75-E78 PolarHBondContact O-N 3.44Å; C76-E78 VanDerWaalsContact C-N 3.33Å; E78-Q152 PolarHBondContact OE2-NE2 3.22Å; E78-Q152 VanDerWaalsContact OE2-NE2 3.16Å
79	L	91.6	Very high	91	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	24%	0.243	C	C	.	.	S	Bend	trans	-75.7	133.9	-176.5	-69.6	176.9	0	0	0	112	M75 Q83 S84 L87 L112 L149 Q152	M75-L79 HydrophobicContact CG-CD1 3.74Å; M75-L79 HydrophobicContact CG-CG 4.09Å; M75-L79 VanDerWaalsContact O-CG 3.26Å; M75-L79 WeakPolarHBondContact O-CG 3.44Å; M75-L79 PolarHBondContact O-N 2.93Å; M75-L79 VanDerWaalsContact O-N 3.07Å; M75-L79 HydrophobicContact SD-CD1 4.41Å; L79-Q83 HydrophobicContact CB-CB 4.39Å; L79-Q83 HydrophobicContact CD2-CB 4.03Å; L79-S84 WeakPolarHBondContact CB-OG 3.49Å; L79-L87 HydrophobicContact CD1-CD2 3.94Å; L79-L112 HydrophobicContact CD1-CD2 3.84Å; L79-L149 HydrophobicContact CD2-CD1 3.73Å; L79-L149 HydrophobicContact CD2-CD2 3.83Å; L79-L149 HydrophobicContact CD2-CG 4.38Å; L79-Q152 HydrophobicContact CD2-CG 4.27Å
80	S	92.9	Very high	90.4	Very high	57 Å²	57	48.4 Å²	48.4	40%	0.399	24%	0.241	S	C	.	.			trans	-69.4	156.1	169.8	65.7	0	0	0	0	111.4	V82 Q83 S84	S80-V82 PolarHBondContact O-N 3.09Å; S80-V82 VanDerWaalsContact O-N 3.09Å; S80-Q83 WeakPolarHBondContact O-CA 3.23Å; S80-Q83 WeakPolarHBondContact O-CB 3.36Å; S80-Q83 PolarHBondContact O-N 3.3Å; S80-Q83 VanDerWaalsContact OG-CD 3.22Å; S80-Q83 VanDerWaalsContact OG-CG 3.32Å; S80-Q83 WeakPolarHBondContact OG-CG 3.48Å; S80-Q83 PolarHBondContact OG-N 3.21Å; S80-Q83 PolarHBondContact OG-OE1 3.13Å; S80-S84 PolarHBondContact O-N 3.36Å; S80-S84 PolarHBondContact O-OG 3.19Å
81	L	92.5	Very high	89.8	Confident	111 Å²	111	48.4 Å²	48.4	58%	0.581	24%	0.241	S	C	*	.	H	α-helix	trans	-51.2	-37.2	177.6	-73.5	168	0	0	0	113.7	G85 P109 A110	L81-G85 PolarHBondContact O-N 3.18Å; L81-P109 HydrophobicContact CD2-CB 4.35Å; L81-A110 HydrophobicContact CD2-CB 3.89Å
82	V	90.8	Very high	89.1	Confident	94 Å²	94	53 Å²	53	57%	0.57	26%	0.259	S	S	*	.	H	α-helix	trans	-68.3	-43	177.5	178.8	0	0	0	0	111.1	S80 G85 R86	S80-V82 PolarHBondContact O-N 3.09Å; S80-V82 VanDerWaalsContact O-N 3.09Å; V82-G85 PolarHBondContact O-N 2.72Å; V82-R86 WeakPolarHBondContact O-CG 3.39Å; V82-R86 PolarHBondContact O-N 3.11Å
83	Q	91.5	Very high	88.2	Confident	73 Å²	73	59.5 Å²	59.5	34%	0.341	29%	0.289	S	S	.	.	H	α-helix	trans	-67.4	-45	177.5	-69.8	162.4	-38.4	0	0	111.1	L79 S80 G85 R86 L87 L149	L79-Q83 HydrophobicContact CB-CB 4.39Å; L79-Q83 HydrophobicContact CD2-CB 4.03Å; S80-Q83 WeakPolarHBondContact O-CA 3.23Å; S80-Q83 WeakPolarHBondContact O-CB 3.36Å; S80-Q83 PolarHBondContact O-N 3.3Å; S80-Q83 VanDerWaalsContact OG-CD 3.22Å; S80-Q83 VanDerWaalsContact OG-CG 3.32Å; S80-Q83 WeakPolarHBondContact OG-CG 3.48Å; S80-Q83 PolarHBondContact OG-N 3.21Å; S80-Q83 PolarHBondContact OG-OE1 3.13Å; Q83-G85 VanDerWaalsContact C-N 3.31Å; Q83-G85 PolarHBondContact O-N 2.7Å; Q83-R86 PolarHBondContact O-N 3.11Å; Q83-L87 WeakPolarHBondContact O-CB 3.45Å; Q83-L87 PolarHBondContact O-N 3.21Å; Q83-L149 HydrophobicContact CG-CD2 4.2Å
84	S	91.5	Very high	87.3	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.028	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-43.3	173.5	-58.4	0	0	0	0	111.3	L79 S80 R86 L87 L88	L79-S84 WeakPolarHBondContact CB-OG 3.49Å; S80-S84 PolarHBondContact O-N 3.36Å; S80-S84 PolarHBondContact O-OG 3.19Å; S84-R86 PolarHBondContact O-N 3.28Å; S84-L87 PolarHBondContact O-N 2.97Å; S84-L88 WeakPolarHBondContact O-CB 3.36Å; S84-L88 VanDerWaalsContact O-CG 3.27Å; S84-L88 WeakPolarHBondContact O-CG 3.33Å; S84-L88 PolarHBondContact O-N 2.9Å
85	G	89.8	Confident	86.5	Confident	12 Å²	12	60.4 Å²	60.4	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-41.2	177.7	0	0	0	0	0	113.3	L81 V82 Q83 L88 L89 Y107	L81-G85 PolarHBondContact O-N 3.18Å; V82-G85 PolarHBondContact O-N 2.72Å; Q83-G85 VanDerWaalsContact C-N 3.31Å; Q83-G85 PolarHBondContact O-N 2.7Å; G85-L88 PolarHBondContact O-N 2.69Å; G85-L89 WeakPolarHBondContact O-CG 3.27Å; G85-L89 PolarHBondContact O-N 3.47Å; G85-L89 VanDerWaalsContact O-N 3.11Å; G85-Y107 PolarHBondContact O-OH 3.12Å
86	R	88.6	Confident	85.4	Confident	142 Å²	142	64.7 Å²	64.7	54%	0.536	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-42.7	174.7	-71.8	178.2	-174.8	-174.3	1.5	112.2	V82 Q83 S84 L88 L89 D90	V82-R86 WeakPolarHBondContact O-CG 3.39Å; V82-R86 PolarHBondContact O-N 3.11Å; Q83-R86 PolarHBondContact O-N 3.11Å; S84-R86 PolarHBondContact O-N 3.28Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 2.67Å; R86-L89 PolarHBondContact O-N 2.98Å; R86-D90 PolarHBondContact O-N 3.33Å; R86-D90 VanDerWaalsContact O-N 3.09Å
87	L	87.9	Confident	84.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-45.8	175.3	175.3	66.7	0	0	0	111.6	M75 L79 Q83 S84 V91 L112 L140 H143	M75-L87 HydrophobicContact CE-CD2 4.38Å; L79-L87 HydrophobicContact CD1-CD2 3.94Å; Q83-L87 WeakPolarHBondContact O-CB 3.45Å; Q83-L87 PolarHBondContact O-N 3.21Å; S84-L87 PolarHBondContact O-N 2.97Å; L87-V91 HydrophobicContact CD1-CG2 3.61Å; L87-V91 HydrophobicContact CG-CG2 4.37Å; L87-V91 VanDerWaalsContact O-CB 3.28Å; L87-V91 WeakPolarHBondContact O-CB 3.17Å; L87-V91 VanDerWaalsContact O-CG2 3.25Å; L87-V91 WeakPolarHBondContact O-CG2 3.32Å; L87-V91 PolarHBondContact O-N 3.01Å; L87-L112 HydrophobicContact CD2-CD1 4.08Å; L87-L112 HydrophobicContact CD2-CD2 4.03Å; L87-L140 HydrophobicContact CD1-CD2 4.16Å; L87-H143 VanDerWaalsContact CA-NE2 3.34Å; L87-H143 WeakPolarHBondContact CA-NE2 3.44Å; L87-H143 WeakPolarHBondContact CD1-CD2 3.43Å; L87-H143 WeakPolarHBondContact CD1-NE2 3.39Å
88	L	88.3	Confident	83	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-45.1	177.8	-71.4	175.2	0	0	0	112.1	S84 G85 R86 R92 Y107 P109 L112 F115 W119	S84-L88 WeakPolarHBondContact O-CB 3.36Å; S84-L88 VanDerWaalsContact O-CG 3.27Å; S84-L88 WeakPolarHBondContact O-CG 3.33Å; S84-L88 PolarHBondContact O-N 2.9Å; G85-L88 PolarHBondContact O-N 2.69Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 2.67Å; L88-R92 WeakPolarHBondContact O-CB 3.48Å; L88-R92 PolarHBondContact O-N 3.32Å; L88-Y107 HydrophobicContact CB-CE2 3.89Å; L88-Y107 WeakPolarHBondContact CB-OH 3.44Å; L88-Y107 HydrophobicContact CD1-CE2 4.43Å; L88-P109 HydrophobicContact CD1-CB 4.28Å; L88-P109 HydrophobicContact CD1-CG 4.48Å; L88-L112 HydrophobicContact CD1-CD1 4.48Å; L88-L112 HydrophobicContact CD2-CD1 3.66Å; L88-L112 HydrophobicContact CG-CD1 3.94Å; L88-F115 HydrophobicContact CD1-CD2 3.9Å; L88-F115 HydrophobicContact CD1-CE2 3.84Å; L88-F115 HydrophobicContact CD1-CG 4.38Å; L88-F115 HydrophobicContact CD1-CZ 4.28Å; L88-F115 HydrophobicContact CD2-CB 3.46Å; L88-F115 VanDerWaalsContact CD2-CB 3.46Å; L88-F115 HydrophobicContact CD2-CD1 3.73Å; L88-F115 HydrophobicContact CD2-CD2 3.62Å; L88-F115 HydrophobicContact CD2-CE1 4.38Å; L88-F115 HydrophobicContact CD2-CE2 4.28Å; L88-F115 HydrophobicContact CD2-CG 3.31Å; L88-F115 HydrophobicContact CG-CD2 4.43Å; L88-F115 HydrophobicContact CG-CG 4.49Å; L88-W119 HydrophobicContact CD2-CH2 3.86Å; L88-W119 HydrophobicContact CD2-CZ2 3.84Å
89	L	85.2	Confident	81.6	Confident	88 Å²	88	67.6 Å²	67.6	46%	0.461	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-53.8	179.3	-72.3	175.5	0	0	0	111.7	G85 R86 R92 E93 Y107	G85-L89 WeakPolarHBondContact O-CG 3.27Å; G85-L89 PolarHBondContact O-N 3.47Å; G85-L89 VanDerWaalsContact O-N 3.11Å; R86-L89 PolarHBondContact O-N 2.98Å; L89-R92 PolarHBondContact O-N 3.2Å; L89-E93 PolarHBondContact O-N 3.36Å; L89-E93 VanDerWaalsContact O-N 3.1Å; L89-Y107 HydrophobicContact CD2-CE1 4.41Å; L89-Y107 VanDerWaalsContact CD2-OH 3.31Å; L89-Y107 WeakPolarHBondContact CD2-OH 3.41Å; L89-Y107 VanDerWaalsContact CG-OH 3.25Å; L89-Y107 WeakPolarHBondContact CG-OH 3.26Å; L89-Y107 PolarHBondContact N-OH 3.3Å
90	D	79.9	Confident	79.8	Confident	60 Å²	60	72.4 Å²	72.4	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-71	-38.7	-173	-71	10	0	0	0	112.8	R86 K94 H143 N147	R86-D90 PolarHBondContact O-N 3.33Å; R86-D90 VanDerWaalsContact O-N 3.09Å; D90-K94 PolarHBondContact O-N 2.99Å; D90-H143 WeakPolarHBondContact CB-CE1 3.5Å; D90-H143 WeakPolarHBondContact CB-ND1 3.37Å; D90-H143 IonicContact OD2-CE1 3.91Å; D90-H143 PolarHBondContact OD2-CE1 3.42Å; D90-H143 IonicContact OD2-ND1 3.14Å; D90-H143 PolarHBondContact OD2-ND1 3.18Å; D90-H143 VanDerWaalsContact OD2-ND1 3.14Å; D90-N147 PolarHBondContact OD2-ND2 3.38Å
91	V	80.6	Confident	78.3	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.006	38%	0.383	C	S	.	.	H	α-helix	trans	-70.9	-38.7	177.4	174.9	0	0	0	0	109.8	L87 K94 V95 W119 L139 L140 H143	L87-V91 HydrophobicContact CD1-CG2 3.61Å; L87-V91 HydrophobicContact CG-CG2 4.37Å; L87-V91 VanDerWaalsContact O-CB 3.28Å; L87-V91 WeakPolarHBondContact O-CB 3.17Å; L87-V91 VanDerWaalsContact O-CG2 3.25Å; L87-V91 WeakPolarHBondContact O-CG2 3.32Å; L87-V91 PolarHBondContact O-N 3.01Å; V91-K94 CarbonylContact O-C 3.56Å; V91-K94 PolarHBondContact O-N 3.48Å; V91-V95 HydrophobicContact CG1-CG2 3.77Å; V91-V95 WeakPolarHBondContact O-CB 3.49Å; V91-V95 VanDerWaalsContact O-CG2 3.28Å; V91-V95 WeakPolarHBondContact O-CG2 3.33Å; V91-V95 PolarHBondContact O-N 3.42Å; V91-W119 HydrophobicContact CB-CH2 3.62Å; V91-W119 HydrophobicContact CB-CZ2 3.88Å; V91-W119 HydrophobicContact CB-CZ3 4.19Å; V91-W119 HydrophobicContact CG1-CD2 4.06Å; V91-W119 HydrophobicContact CG1-CE3 3.96Å; V91-W119 HydrophobicContact CG1-CH2 3.48Å; V91-W119 VanDerWaalsContact CG1-CH2 3.48Å; V91-W119 HydrophobicContact CG1-CZ2 3.55Å; V91-W119 HydrophobicContact CG1-CZ3 3.7Å; V91-W119 HydrophobicContact CG2-CH2 4.15Å; V91-W119 HydrophobicContact CG2-CZ3 4.4Å; V91-L139 HydrophobicContact CB-CD2 4.4Å; V91-L139 HydrophobicContact CG1-CD2 3.9Å; V91-L139 HydrophobicContact CG2-CD2 4Å; V91-L140 HydrophobicContact CG2-CD2 4.28Å; V91-H143 HydrophobicContact CG2-CB 4.46Å
92	R	77.4	Confident	76.9	Confident	98 Å²	98	72.4 Å²	72.4	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-58.7	-49.6	176.6	177.3	-178.7	-178.7	-162.1	-6.9	112	L88 L89 K94 V95 E96	L88-R92 WeakPolarHBondContact O-CB 3.48Å; L88-R92 PolarHBondContact O-N 3.32Å; L89-R92 PolarHBondContact O-N 3.2Å; R92-K94 PolarHBondContact O-N 2.85Å; R92-V95 PolarHBondContact O-N 3.37Å; R92-V95 VanDerWaalsContact O-N 3.1Å; R92-E96 VanDerWaalsContact CG-CD 3.4Å; R92-E96 HydrophobicContact CG-CG 3.87Å; R92-E96 WeakPolarHBondContact CG-OE2 3.2Å; R92-E96 IonicContact CZ-OE1 3.96Å; R92-E96 VanDerWaalsContact CZ-OE1 3.28Å; R92-E96 IonicContact CZ-OE2 3.25Å; R92-E96 IonicContact NE-OE1 2.85Å; R92-E96 PolarHBondContact NE-OE1 3.02Å; R92-E96 IonicContact NE-OE2 3.93Å; R92-E96 PolarHBondContact NE-OE2 3.1Å; R92-E96 IonicContact NH2-OE1 2.81Å; R92-E96 PolarHBondContact NH2-OE1 3.13Å; R92-E96 IonicContact NH2-OE2 3.07Å; R92-E96 VanDerWaalsContact O-CB 3.31Å; R92-E96 WeakPolarHBondContact O-CB 3.39Å; R92-E96 WeakPolarHBondContact O-CG 3.17Å; R92-E96 PolarHBondContact O-N 3.49Å
93	E	74.1	Confident	75.7	Confident	137 Å²	137	71 Å²	71	64%	0.64	38%	0.38	S	S	*	.	H	α-helix	trans	-54.7	-37.9	177.3	-74.5	-176.8	174.5	0	0	112	L89 S97	L89-E93 PolarHBondContact O-N 3.36Å; L89-E93 VanDerWaalsContact O-N 3.1Å; E93-S97 WeakPolarHBondContact O-CB 3.3Å; E93-S97 PolarHBondContact O-N 3.26Å; E93-S97 PolarHBondContact O-OG 3.26Å
94	K	74.4	Confident	74.9	Confident	115 Å²	115	70 Å²	70	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-78.4	-31.6	178.2	-71.3	-175.6	178.6	-179.8	0	114.4	D90 V91 R92 S97 Q98	D90-K94 PolarHBondContact O-N 2.99Å; V91-K94 CarbonylContact O-C 3.56Å; V91-K94 PolarHBondContact O-N 3.48Å; R92-K94 PolarHBondContact O-N 2.85Å; K94-S97 WeakPolarHBondContact CA-OG 3.26Å; K94-S97 PolarHBondContact O-OG 2.99Å; K94-Q98 VanDerWaalsContact O-CG 3.26Å; K94-Q98 WeakPolarHBondContact O-CG 3.18Å
95	V	74	Confident	74	Confident	13 Å²	13	80.9 Å²	80.9	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-81.8	-41.6	179.8	172	0	0	0	0	111	V91 R92 S97 Q98 Q99 S124 L139	V91-V95 HydrophobicContact CG1-CG2 3.77Å; V91-V95 WeakPolarHBondContact O-CB 3.49Å; V91-V95 VanDerWaalsContact O-CG2 3.28Å; V91-V95 WeakPolarHBondContact O-CG2 3.33Å; V91-V95 PolarHBondContact O-N 3.42Å; R92-V95 PolarHBondContact O-N 3.37Å; R92-V95 VanDerWaalsContact O-N 3.1Å; V95-S97 VanDerWaalsContact C-N 3.25Å; V95-S97 PolarHBondContact O-N 3.04Å; V95-Q98 PolarHBondContact O-N 3.01Å; V95-Q99 PolarHBondContact O-N 3.38Å; V95-Q99 VanDerWaalsContact O-N 3.11Å; V95-S124 WeakPolarHBondContact CG1-OG 3.16Å; V95-L139 HydrophobicContact CG2-CD1 4.47Å
96	E	68.8	Low	73.6	Confident	90 Å²	90	84.2 Å²	84.2	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-65.1	-28.6	176.3	-71.6	-176.5	156.5	0	0	112.2	R92 Q98	R92-E96 VanDerWaalsContact CG-CD 3.4Å; R92-E96 HydrophobicContact CG-CG 3.87Å; R92-E96 WeakPolarHBondContact CG-OE2 3.2Å; R92-E96 IonicContact CZ-OE1 3.96Å; R92-E96 VanDerWaalsContact CZ-OE1 3.28Å; R92-E96 IonicContact CZ-OE2 3.25Å; R92-E96 IonicContact NE-OE1 2.85Å; R92-E96 PolarHBondContact NE-OE1 3.02Å; R92-E96 IonicContact NE-OE2 3.93Å; R92-E96 PolarHBondContact NE-OE2 3.1Å; R92-E96 IonicContact NH2-OE1 2.81Å; R92-E96 PolarHBondContact NH2-OE1 3.13Å; R92-E96 IonicContact NH2-OE2 3.07Å; R92-E96 VanDerWaalsContact O-CB 3.31Å; R92-E96 WeakPolarHBondContact O-CB 3.39Å; R92-E96 WeakPolarHBondContact O-CG 3.17Å; R92-E96 PolarHBondContact O-N 3.49Å; E96-Q98 VanDerWaalsContact C-N 3.29Å
97	S	66	Low	73.1	Confident	95 Å²	95	82 Å²	82	66%	0.664	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.5	172.2	50.5	0	0	0	0	114	E93 K94 V95	E93-S97 WeakPolarHBondContact O-CB 3.3Å; E93-S97 PolarHBondContact O-N 3.26Å; E93-S97 PolarHBondContact O-OG 3.26Å; K94-S97 WeakPolarHBondContact CA-OG 3.26Å; K94-S97 PolarHBondContact O-OG 2.99Å; V95-S97 VanDerWaalsContact C-N 3.25Å; V95-S97 PolarHBondContact O-N 3.04Å
98	Q	65.6	Low	73.1	Confident	133 Å²	133	85.1 Å²	85.1	62%	0.621	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-22.9	-174.5	-71.7	-179.8	1	0	0	114.5	K94 V95 E96	K94-Q98 VanDerWaalsContact O-CG 3.26Å; K94-Q98 WeakPolarHBondContact O-CG 3.18Å; V95-Q98 PolarHBondContact O-N 3.01Å; E96-Q98 VanDerWaalsContact C-N 3.29Å
99	Q	62.5	Low	73.1	Confident	81 Å²	81	86.5 Å²	86.5	38%	0.379	45%	0.446	S	S	.	.			trans	-144.8	136.3	-175.8	-66.8	-174	-5.5	0	0	113.3	V95 R122	V95-Q99 PolarHBondContact O-N 3.38Å; V95-Q99 VanDerWaalsContact O-N 3.11Å; Q99-R122 PolarHBondContact NE2-O 3.22Å; Q99-R122 VanDerWaalsContact NE2-O 3.13Å; Q99-R122 PolarHBondContact OE1-O 2.78Å
100	A	53.2	Low	73.3	Confident	115 Å²	115	84.8 Å²	84.8	95%	0.95	45%	0.445	S	S	*	.			trans	-87	115	175.9	0	0	0	0	0	111.2
101	G	62.6	Low	73.8	Confident	43 Å²	43	87.5 Å²	87.5	44%	0.443	45%	0.452	S	S	.	.	S	Bend	trans	-173.7	152.9	168.8	0	0	0	0	0	111.9	P103 R122	G101-P103 WeakPolarHBondContact O-CD 3.34Å; G101-R122 VanDerWaalsContact C-NH1 3.28Å; G101-R122 PolarHBondContact O-NH1 2.66Å
102	D	62.8	Low	74.3	Confident	124 Å²	124	87.6 Å²	87.6	66%	0.663	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.6	117.7	-178.6	-87.9	2.5	0	0	0	110.9	R122	D102-R122 PolarHBondContact O-NH1 2.97Å; D102-R122 PolarHBondContact O-NH2 2.93Å
103	P	65.9	Low	74.9	Confident	65 Å²	65	86.2 Å²	86.2	42%	0.422	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-65.7	160	177.8	25.9	-32.3	0	0	0	111.2	G101 R105	G101-P103 WeakPolarHBondContact O-CD 3.34Å; P103-R105 PolarHBondContact O-N 3.49Å
104	L	73.6	Confident	75.7	Confident	53 Å²	53	82.8 Å²	82.8	28%	0.277	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-53.2	129.4	170.8	-71.6	171.2	0	0	0	109.5	F106 I114 F115 D118	L104-F106 HydrophobicContact CB-CD1 4.43Å; L104-F106 HydrophobicContact CB-CE1 4.32Å; L104-F106 HydrophobicContact CD1-CE1 4.46Å; L104-F106 HydrophobicContact CD1-CZ 4.49Å; L104-F106 HydrophobicContact CD2-CE1 4.16Å; L104-F106 PolarHBondContact O-N 3.49Å; L104-F106 VanDerWaalsContact O-N 3.1Å; L104-I114 HydrophobicContact CD1-CG2 4.19Å; L104-F115 HydrophobicContact CB-CE1 4.27Å; L104-F115 HydrophobicContact CD1-CD1 3.6Å; L104-F115 HydrophobicContact CD1-CE1 3.79Å; L104-F115 HydrophobicContact CD1-CG 4.12Å; L104-F115 HydrophobicContact CD1-CZ 4.44Å; L104-D118 HydrophobicContact CD1-CB 3.93Å; L104-D118 HydrophobicContact CG-CB 4.32Å
105	R	73.1	Confident	76.4	Confident	231 Å²	231	78 Å²	78	87%	0.872	41%	0.414	S	S	*	.	S	Bend	trans	-76.4	8.2	-175	-64.3	-173.8	179.6	-174.8	-0.1	114.2	P103	P103-R105 PolarHBondContact O-N 3.49Å
106	F	80.9	Confident	77.1	Confident	83 Å²	83	77.7 Å²	77.7	36%	0.364	41%	0.412	S	S	.	.			trans	-134	145.1	177.3	72.9	-86.4	0	0	0	109.2	L104 D108 Y111 I114 F115	L104-F106 HydrophobicContact CB-CD1 4.43Å; L104-F106 HydrophobicContact CB-CE1 4.32Å; L104-F106 HydrophobicContact CD1-CE1 4.46Å; L104-F106 HydrophobicContact CD1-CZ 4.49Å; L104-F106 HydrophobicContact CD2-CE1 4.16Å; L104-F106 PolarHBondContact O-N 3.49Å; L104-F106 VanDerWaalsContact O-N 3.1Å; F106-D108 HydrophobicContact CD2-CB 4.46Å; F106-Y111 HydrophobicContact CE2-CD2 4.24Å; F106-Y111 HydrophobicContact CE2-CG 4.45Å; F106-I114 HydrophobicContact CE1-CG2 4.36Å; F106-I114 HydrophobicContact CZ-CB 4.19Å; F106-I114 HydrophobicContact CZ-CG2 3.79Å; F106-F115 HydrophobicContact CD2-CZ 4.48Å; F106-F115 HydrophobicContact CE2-CE2 4.14Å; F106-F115 HydrophobicContact CE2-CZ 4.19Å; F106-F115 WeakPolarHBondContact O-CZ 3.47Å
107	Y	78.9	Confident	78.1	Confident	94 Å²	94	77.8 Å²	77.8	37%	0.369	42%	0.416	S	S	.	.			trans	-130	86.1	-179.8	-166.8	-95.3	0	0	0	109.2	G85 L88 L89 F115	G85-Y107 PolarHBondContact O-OH 3.12Å; L88-Y107 HydrophobicContact CB-CE2 3.89Å; L88-Y107 WeakPolarHBondContact CB-OH 3.44Å; L88-Y107 HydrophobicContact CD1-CE2 4.43Å; L89-Y107 HydrophobicContact CD2-CE1 4.41Å; L89-Y107 VanDerWaalsContact CD2-OH 3.31Å; L89-Y107 WeakPolarHBondContact CD2-OH 3.41Å; L89-Y107 VanDerWaalsContact CG-OH 3.25Å; L89-Y107 WeakPolarHBondContact CG-OH 3.26Å; L89-Y107 PolarHBondContact N-OH 3.3Å; Y107-F115 HydrophobicContact CD2-CE1 4.46Å; Y107-F115 HydrophobicContact CD2-CZ 4.44Å
108	D	87.4	Confident	79	Confident	66 Å²	66	74.7 Å²	74.7	35%	0.353	39%	0.392	S	S	.	.			trans	-129.8	110.8	177.5	-176.8	-10.8	0	0	0	109	F106 A110 Y111	F106-D108 HydrophobicContact CD2-CB 4.46Å; D108-A110 PolarHBondContact O-N 3.43Å; D108-A110 WeakPolarHBondContact OD1-CB 3.36Å; D108-A110 PolarHBondContact OD1-N 3.16Å; D108-Y111 HydrophobicContact CB-CD2 3.86Å; D108-Y111 HydrophobicContact CB-CE2 4.26Å; D108-Y111 PolarHBondContact O-N 3.07Å; D108-Y111 VanDerWaalsContact O-N 3.13Å; D108-Y111 WeakPolarHBondContact OD2-CE2 3.32Å
109	P	87.9	Confident	79.9	Confident	31 Å²	31	68.9 Å²	68.9	20%	0.201	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-58.1	-15	178.8	-24.8	34.5	0	0	0	115.1	L81 L88 Y111	L81-P109 HydrophobicContact CD2-CB 4.35Å; L88-P109 HydrophobicContact CD1-CB 4.28Å; L88-P109 HydrophobicContact CD1-CG 4.48Å; P109-Y111 PolarHBondContact O-N 3.27Å
110	A	88.9	Confident	81.1	Confident	53 Å²	53	66.9 Å²	66.9	44%	0.438	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-68	-17.5	175.9	0	0	0	0	0	113.5	L81 D108	L81-A110 HydrophobicContact CD2-CB 3.89Å; D108-A110 PolarHBondContact O-N 3.43Å; D108-A110 WeakPolarHBondContact OD1-CB 3.36Å; D108-A110 PolarHBondContact OD1-N 3.16Å
111	Y	90.6	Very high	82.7	Confident	116 Å²	116	67 Å²	67	46%	0.455	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-113.3	40.1	-177.7	-59.4	-73.6	0	0	0	112.3	F106 D108 P109 E113 I114 F115	F106-Y111 HydrophobicContact CE2-CD2 4.24Å; F106-Y111 HydrophobicContact CE2-CG 4.45Å; D108-Y111 HydrophobicContact CB-CD2 3.86Å; D108-Y111 HydrophobicContact CB-CE2 4.26Å; D108-Y111 PolarHBondContact O-N 3.07Å; D108-Y111 VanDerWaalsContact O-N 3.13Å; D108-Y111 WeakPolarHBondContact OD2-CE2 3.32Å; P109-Y111 PolarHBondContact O-N 3.27Å; Y111-E113 VanDerWaalsContact C-OE2 3.27Å; Y111-E113 PolarHBondContact O-N 3.44Å; Y111-E113 VanDerWaalsContact O-N 3.12Å; Y111-I114 WeakPolarHBondContact O-CB 3.5Å; Y111-I114 PolarHBondContact O-N 2.87Å; Y111-F115 WeakPolarHBondContact O-CD2 3.13Å
112	L	91.4	Very high	83.5	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-52.1	-36	-176.7	179.3	59.3	0	0	0	112.7	C76 L79 L87 L88 I114 F115 L116	C76-L112 HydrophobicContact CB-CD2 4.5Å; L79-L112 HydrophobicContact CD1-CD2 3.84Å; L87-L112 HydrophobicContact CD2-CD1 4.08Å; L87-L112 HydrophobicContact CD2-CD2 4.03Å; L88-L112 HydrophobicContact CD1-CD1 4.48Å; L88-L112 HydrophobicContact CD2-CD1 3.66Å; L88-L112 HydrophobicContact CG-CD1 3.94Å; L112-I114 PolarHBondContact O-N 3.43Å; L112-F115 PolarHBondContact O-N 3.48Å; L112-F115 VanDerWaalsContact O-N 3.13Å; L112-L116 PolarHBondContact O-N 2.85Å
113	E	91.3	Very high	84.5	Confident	70 Å²	70	70.8 Å²	70.8	33%	0.327	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-32.4	176.4	68.6	-78.4	-175	0	0	113.4	Y111 L116 L117	Y111-E113 VanDerWaalsContact C-OE2 3.27Å; Y111-E113 PolarHBondContact O-N 3.44Å; Y111-E113 VanDerWaalsContact O-N 3.12Å; E113-L116 PolarHBondContact O-N 3.29Å; E113-L117 VanDerWaalsContact O-CG 3.3Å; E113-L117 WeakPolarHBondContact O-CG 3.38Å; E113-L117 PolarHBondContact O-N 3.18Å
114	I	89.6	Confident	85.3	Confident	64 Å²	64	68.3 Å²	68.3	33%	0.328	32%	0.32	S	S	.	.	H	α-helix	trans	-72.1	-37.6	177.9	-54.2	-60.2	0	0	0	110.7	L104 F106 Y111 L112 L117 D118	L104-I114 HydrophobicContact CD1-CG2 4.19Å; F106-I114 HydrophobicContact CE1-CG2 4.36Å; F106-I114 HydrophobicContact CZ-CB 4.19Å; F106-I114 HydrophobicContact CZ-CG2 3.79Å; Y111-I114 WeakPolarHBondContact O-CB 3.5Å; Y111-I114 PolarHBondContact O-N 2.87Å; L112-I114 PolarHBondContact O-N 3.43Å; I114-L117 PolarHBondContact O-N 2.77Å; I114-D118 PolarHBondContact O-N 2.93Å
115	F	88.6	Confident	86.1	Confident	14 Å²	14	66 Å²	66	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-67.7	-40.8	174.5	-64.8	-87.6	0	0	0	111.7	L88 L104 F106 Y107 Y111 L112 L117 D118 W119	L88-F115 HydrophobicContact CD1-CD2 3.9Å; L88-F115 HydrophobicContact CD1-CE2 3.84Å; L88-F115 HydrophobicContact CD1-CG 4.38Å; L88-F115 HydrophobicContact CD1-CZ 4.28Å; L88-F115 HydrophobicContact CD2-CB 3.46Å; L88-F115 VanDerWaalsContact CD2-CB 3.46Å; L88-F115 HydrophobicContact CD2-CD1 3.73Å; L88-F115 HydrophobicContact CD2-CD2 3.62Å; L88-F115 HydrophobicContact CD2-CE1 4.38Å; L88-F115 HydrophobicContact CD2-CE2 4.28Å; L88-F115 HydrophobicContact CD2-CG 3.31Å; L88-F115 HydrophobicContact CG-CD2 4.43Å; L88-F115 HydrophobicContact CG-CG 4.49Å; L104-F115 HydrophobicContact CB-CE1 4.27Å; L104-F115 HydrophobicContact CD1-CD1 3.6Å; L104-F115 HydrophobicContact CD1-CE1 3.79Å; L104-F115 HydrophobicContact CD1-CG 4.12Å; L104-F115 HydrophobicContact CD1-CZ 4.44Å; F106-F115 HydrophobicContact CD2-CZ 4.48Å; F106-F115 HydrophobicContact CE2-CE2 4.14Å; F106-F115 HydrophobicContact CE2-CZ 4.19Å; F106-F115 WeakPolarHBondContact O-CZ 3.47Å; Y107-F115 HydrophobicContact CD2-CE1 4.46Å; Y107-F115 HydrophobicContact CD2-CZ 4.44Å; Y111-F115 WeakPolarHBondContact O-CD2 3.13Å; L112-F115 PolarHBondContact O-N 3.48Å; L112-F115 VanDerWaalsContact O-N 3.13Å; F115-L117 VanDerWaalsContact C-N 3.3Å; F115-L117 PolarHBondContact O-N 3.04Å; F115-D118 PolarHBondContact O-N 3.45Å; F115-W119 HydrophobicContact CB-CZ2 4.22Å; F115-W119 PolarHBondContact O-N 3.29Å
116	L	90	Very high	86.8	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-41.2	173.6	-68.1	-175.9	0	0	0	111.9	L72 M75 C76 L112 E113 W119 L120 I125	L72-L116 HydrophobicContact CB-CD1 4.06Å; L72-L116 HydrophobicContact CD2-CD1 4.29Å; M75-L116 HydrophobicContact CE-CD1 4.12Å; M75-L116 HydrophobicContact CE-CD2 4.43Å; C76-L116 WeakPolarHBondContact SG-CD1 3.28Å; L112-L116 PolarHBondContact O-N 2.85Å; E113-L116 PolarHBondContact O-N 3.29Å; L116-W119 HydrophobicContact CD2-CE3 3.6Å; L116-W119 HydrophobicContact CD2-CZ3 3.6Å; L116-W119 PolarHBondContact O-N 2.98Å; L116-L120 WeakPolarHBondContact O-CB 3.33Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 3.1Å; L116-I125 HydrophobicContact CD2-CD1 4.43Å
117	L	88.8	Confident	87.3	Confident	93 Å²	93	57 Å²	57	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-40.6	175.1	-74.6	170.4	0	0	0	112.3	E113 I114 F115 L120 T121	E113-L117 VanDerWaalsContact O-CG 3.3Å; E113-L117 WeakPolarHBondContact O-CG 3.38Å; E113-L117 PolarHBondContact O-N 3.18Å; I114-L117 PolarHBondContact O-N 2.77Å; F115-L117 VanDerWaalsContact C-N 3.3Å; F115-L117 PolarHBondContact O-N 3.04Å; L117-L120 PolarHBondContact O-N 3.46Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 3.34Å; L117-T121 PolarHBondContact O-OG1 2.81Å
118	D	84.9	Confident	87.7	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.16	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-46.6	174	177.7	78.9	0	0	0	111.1	L104 I114 F115 L120 T121 R122	L104-D118 HydrophobicContact CD1-CB 3.93Å; L104-D118 HydrophobicContact CG-CB 4.32Å; I114-D118 PolarHBondContact O-N 2.93Å; F115-D118 PolarHBondContact O-N 3.45Å; D118-L120 VanDerWaalsContact C-N 3.33Å; D118-L120 PolarHBondContact O-N 3.27Å; D118-T121 PolarHBondContact O-N 2.83Å; D118-T121 VanDerWaalsContact O-N 3.1Å; D118-R122 WeakPolarHBondContact O-CG 3.34Å; D118-R122 PolarHBondContact O-N 2.8Å; D118-R122 IonicContact OD1-CZ 3.38Å; D118-R122 IonicContact OD1-NE 2.89Å; D118-R122 PolarHBondContact OD1-NE 2.9Å; D118-R122 IonicContact OD1-NH2 3.7Å; D118-R122 PolarHBondContact OD1-NH2 3.31Å; D118-R122 IonicContact OD2-CZ 3.63Å; D118-R122 IonicContact OD2-NE 2.87Å; D118-R122 PolarHBondContact OD2-NE 2.91Å; D118-R122 IonicContact OD2-NH2 3.79Å
119	W	86.1	Confident	87.6	Confident	11 Å²	11	54.9 Å²	54.9	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-36.2	177.9	-60.8	-15.9	0	0	0	113	L88 V91 F115 L116 R123 S124 I125 L140	L88-W119 HydrophobicContact CD2-CH2 3.86Å; L88-W119 HydrophobicContact CD2-CZ2 3.84Å; V91-W119 HydrophobicContact CB-CH2 3.62Å; V91-W119 HydrophobicContact CB-CZ2 3.88Å; V91-W119 HydrophobicContact CB-CZ3 4.19Å; V91-W119 HydrophobicContact CG1-CD2 4.06Å; V91-W119 HydrophobicContact CG1-CE3 3.96Å; V91-W119 HydrophobicContact CG1-CH2 3.48Å; V91-W119 VanDerWaalsContact CG1-CH2 3.48Å; V91-W119 HydrophobicContact CG1-CZ2 3.55Å; V91-W119 HydrophobicContact CG1-CZ3 3.7Å; V91-W119 HydrophobicContact CG2-CH2 4.15Å; V91-W119 HydrophobicContact CG2-CZ3 4.4Å; F115-W119 HydrophobicContact CB-CZ2 4.22Å; F115-W119 PolarHBondContact O-N 3.29Å; L116-W119 HydrophobicContact CD2-CE3 3.6Å; L116-W119 HydrophobicContact CD2-CZ3 3.6Å; L116-W119 PolarHBondContact O-N 2.98Å; W119-R123 PolarHBondContact O-N 3.27Å; W119-R123 VanDerWaalsContact O-N 3.1Å; W119-S124 PolarHBondContact O-N 3.4Å; W119-I125 HydrophobicContact CB-CD1 4.04Å; W119-I125 HydrophobicContact CB-CG1 3.92Å; W119-I125 PolarHBondContact O-N 3.19Å; W119-L140 HydrophobicContact CE3-CD2 4.33Å; W119-L140 HydrophobicContact CZ3-CD2 3.89Å
120	L	87.1	Confident	87.4	Confident	39 Å²	39	57.4 Å²	57.4	20%	0.204	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-43.2	171.7	-76.1	166.8	0	0	0	111.8	L69 L116 L117 D118 R123 I125 L127	L69-L120 HydrophobicContact CD1-CD1 4.14Å; L116-L120 WeakPolarHBondContact O-CB 3.33Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 3.1Å; L117-L120 PolarHBondContact O-N 3.46Å; D118-L120 VanDerWaalsContact C-N 3.33Å; D118-L120 PolarHBondContact O-N 3.27Å; L120-R123 PolarHBondContact O-N 2.79Å; L120-R123 VanDerWaalsContact O-N 3.1Å; L120-I125 HydrophobicContact CD2-CD1 4.1Å; L120-I125 HydrophobicContact CD2-CG1 3.81Å; L120-I125 HydrophobicContact CG-CD1 3.94Å; L120-I125 HydrophobicContact CG-CG1 3.94Å; L120-L127 HydrophobicContact CD1-CD1 4.26Å; L120-L127 HydrophobicContact CD2-CD1 3.8Å; L120-L127 HydrophobicContact CD2-CD2 3.91Å; L120-L127 HydrophobicContact CD2-CG 3.51Å
121	T	85.6	Confident	87.2	Confident	116 Å²	116	58.3 Å²	58.3	71%	0.712	29%	0.289	S	S	*	.	H	α-helix	trans	-66.4	-39.4	-178.7	-56.8	0	0	0	0	111.3	L117 D118 R123	L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 3.34Å; L117-T121 PolarHBondContact O-OG1 2.81Å; D118-T121 PolarHBondContact O-N 2.83Å; D118-T121 VanDerWaalsContact O-N 3.1Å; T121-R123 PolarHBondContact O-N 2.66Å
122	R	81.3	Confident	87	Confident	67 Å²	67	52.9 Å²	52.9	25%	0.253	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.2	173.8	-65.6	-178.2	-163.7	-117.3	-8	113.8	Q99 G101 D102 D118 S124	Q99-R122 PolarHBondContact NE2-O 3.22Å; Q99-R122 VanDerWaalsContact NE2-O 3.13Å; Q99-R122 PolarHBondContact OE1-O 2.78Å; G101-R122 VanDerWaalsContact C-NH1 3.28Å; G101-R122 PolarHBondContact O-NH1 2.66Å; D102-R122 PolarHBondContact O-NH1 2.97Å; D102-R122 PolarHBondContact O-NH2 2.93Å; D118-R122 WeakPolarHBondContact O-CG 3.34Å; D118-R122 PolarHBondContact O-N 2.8Å; D118-R122 IonicContact OD1-CZ 3.38Å; D118-R122 IonicContact OD1-NE 2.89Å; D118-R122 PolarHBondContact OD1-NE 2.9Å; D118-R122 IonicContact OD1-NH2 3.7Å; D118-R122 PolarHBondContact OD1-NH2 3.31Å; D118-R122 IonicContact OD2-CZ 3.63Å; D118-R122 IonicContact OD2-NE 2.87Å; D118-R122 PolarHBondContact OD2-NE 2.91Å; D118-R122 IonicContact OD2-NH2 3.79Å; R122-S124 PolarHBondContact O-N 3.11Å
123	R	83.4	Confident	86.7	Confident	181 Å²	181	54.6 Å²	54.6	68%	0.683	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	26.4	-176.7	-49.2	179.5	174.3	-165.3	-3	113.6	W119 L120 T121	W119-R123 PolarHBondContact O-N 3.27Å; W119-R123 VanDerWaalsContact O-N 3.1Å; L120-R123 PolarHBondContact O-N 2.79Å; L120-R123 VanDerWaalsContact O-N 3.1Å; T121-R123 PolarHBondContact O-N 2.66Å
124	S	82.9	Confident	86.3	Confident	13 Å²	13	54.5 Å²	54.5	9%	0.091	30%	0.301	C	S	.	.	S	Bend	trans	-69.7	-25.2	170.3	-47.9	0	0	0	0	111.6	V95 W119 R122	V95-S124 WeakPolarHBondContact CG1-OG 3.16Å; W119-S124 PolarHBondContact O-N 3.4Å; R122-S124 PolarHBondContact O-N 3.11Å
125	I	88.6	Confident	86.3	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.015	29%	0.294	C	S	.	.	S	Bend	trans	-129.5	146	165.8	56.7	177.4	0	0	0	108.5	L72 L116 W119 L120 D136 L140	L72-I125 HydrophobicContact CD1-CD1 4.49Å; L116-I125 HydrophobicContact CD2-CD1 4.43Å; W119-I125 HydrophobicContact CB-CD1 4.04Å; W119-I125 HydrophobicContact CB-CG1 3.92Å; W119-I125 PolarHBondContact O-N 3.19Å; L120-I125 HydrophobicContact CD2-CD1 4.1Å; L120-I125 HydrophobicContact CD2-CG1 3.81Å; L120-I125 HydrophobicContact CG-CD1 3.94Å; L120-I125 HydrophobicContact CG-CG1 3.94Å; I125-D136 WeakPolarHBondContact CA-O 3.41Å; I125-L140 HydrophobicContact CD1-CD1 3.81Å; I125-L140 HydrophobicContact CG2-CD1 3.83Å; I125-L140 HydrophobicContact CG2-CG 4.07Å
126	K	89.3	Confident	86.3	Confident	101 Å²	101	55.6 Å²	55.6	44%	0.439	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-127.1	137.8	178.3	-63.2	174.7	-174	164.1	0	110	S135 D136	K126-S135 CarbonylContact O-C 3.55Å; K126-S135 WeakPolarHBondContact O-CA 3.25Å; K126-D136 HydrophobicContact CB-CB 4.07Å; K126-D136 PolarHBondContact N-O 3.41Å; K126-D136 CarbonylContact O-C 3.31Å; K126-D136 PolarHBondContact O-N 3.27Å
127	L	90.1	Very high	86.2	Confident	25 Å²	25	55.3 Å²	55.3	13%	0.131	31%	0.309	C	S	.	.			trans	-88.8	-22.5	-179.9	-56.6	173.5	0	0	0	112.8	H66 L68 L69 L72 L120 S135	H66-L127 PolarHBondContact CE1-O 3Å; H66-L127 VanDerWaalsContact NE2-CB 3.35Å; H66-L127 WeakPolarHBondContact NE2-CB 3.41Å; H66-L127 PolarHBondContact NE2-O 3.4Å; L68-L127 HydrophobicContact CB-CD2 3.69Å; L68-L127 HydrophobicContact CD1-CD2 4.42Å; L68-L127 WeakPolarHBondContact CD1-O 3.29Å; L69-L127 HydrophobicContact CB-CD1 4.09Å; L69-L127 HydrophobicContact CD1-CD1 4.26Å; L72-L127 HydrophobicContact CD1-CD2 3.66Å; L120-L127 HydrophobicContact CD1-CD1 4.26Å; L120-L127 HydrophobicContact CD2-CD1 3.8Å; L120-L127 HydrophobicContact CD2-CD2 3.91Å; L120-L127 HydrophobicContact CD2-CG 3.51Å; L127-S135 WeakPolarHBondContact O-CB 3.33Å
128	G	87.3	Confident	86	Confident	40 Å²	40	56 Å²	56	41%	0.412	31%	0.309	S	S	.	.			trans	84.5	-158.4	-174.2	0	0	0	0	0	112.6	A133	G128-A133 CarbonylContact C-O 3.56Å; G128-A133 WeakPolarHBondContact CA-O 3.46Å
129	D	86	Confident	86	Confident	76 Å²	76	56.3 Å²	56.3	41%	0.406	31%	0.311	S	S	.	.	S	Bend	trans	-79.2	-177.4	169.5	70.5	8.9	0	0	0	112.1	H66 N131 A132 A133	H66-D129 PolarHBondContact CD2-O 3.07Å; H66-D129 PolarHBondContact NE2-O 3.12Å; D129-N131 PolarHBondContact O-N 2.93Å; D129-N131 WeakPolarHBondContact OD1-CA 3.48Å; D129-N131 WeakPolarHBondContact OD1-CB 3.45Å; D129-N131 PolarHBondContact OD1-N 3.13Å; D129-A132 WeakPolarHBondContact O-CA 3.11Å; D129-A132 PolarHBondContact O-N 3.36Å; D129-A132 PolarHBondContact OD1-N 3.04Å; D129-A133 PolarHBondContact N-O 2.65Å; D129-A133 WeakPolarHBondContact OD1-CB 3.36Å; D129-A133 PolarHBondContact OD1-N 3.37Å
130	I	83.7	Confident	86.1	Confident	83 Å²	83	55.8 Å²	55.8	43%	0.426	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.5	-177.7	-163.5	62.3	0	0	0	113.6	P67 A132	P67-I130 VanDerWaalsContact CD-O 3.28Å; P67-I130 WeakPolarHBondContact CD-O 3.39Å; P67-I130 WeakPolarHBondContact CG-O 3.37Å; I130-A132 VanDerWaalsContact C-N 3.28Å
131	N	84.1	Confident	86.2	Confident	72 Å²	72	54.1 Å²	54.1	39%	0.385	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.6	176.9	-65	-26.6	0	0	0	111.9	D129 A133 N163	D129-N131 PolarHBondContact O-N 2.93Å; D129-N131 WeakPolarHBondContact OD1-CA 3.48Å; D129-N131 WeakPolarHBondContact OD1-CB 3.45Å; D129-N131 PolarHBondContact OD1-N 3.13Å; N131-A133 PolarHBondContact O-N 2.89Å; N131-A133 VanDerWaalsContact O-N 3.11Å; N131-N163 CarbonylContact C-O 3.57Å; N131-N163 VanDerWaalsContact CB-O 3.27Å; N131-N163 WeakPolarHBondContact CB-O 3.48Å; N131-N163 CarbonylContact O-C 3.59Å; N131-N163 VanDerWaalsContact O-C 3.31Å
132	A	86.4	Confident	86.3	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	28%	0.283	C	S	.	.			trans	58	16.9	-172.7	0	0	0	0	0	114.2	L68 D129 I130 S135 I160	L68-A132 HydrophobicContact CD1-CB 3.8Å; L68-A132 HydrophobicContact CG-CB 4.11Å; D129-A132 WeakPolarHBondContact O-CA 3.11Å; D129-A132 PolarHBondContact O-N 3.36Å; D129-A132 PolarHBondContact OD1-N 3.04Å; I130-A132 VanDerWaalsContact C-N 3.28Å; A132-S135 WeakPolarHBondContact O-CB 3.33Å; A132-S135 PolarHBondContact O-N 3.22Å; A132-S135 PolarHBondContact O-OG 3.09Å; A132-I160 HydrophobicContact CB-CG1 4.48Å
133	A	84.9	Confident	86.5	Confident	40 Å²	40	47.4 Å²	47.4	33%	0.331	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	132.3	175.9	0	0	0	0	0	109.5	G128 D129 N131 S135	G128-A133 CarbonylContact C-O 3.56Å; G128-A133 WeakPolarHBondContact CA-O 3.46Å; D129-A133 PolarHBondContact N-O 2.65Å; D129-A133 WeakPolarHBondContact OD1-CB 3.36Å; D129-A133 PolarHBondContact OD1-N 3.37Å; N131-A133 PolarHBondContact O-N 2.89Å; N131-A133 VanDerWaalsContact O-N 3.11Å; A133-S135 VanDerWaalsContact C-N 3.27Å
134	G	84.4	Confident	86.8	Confident	68 Å²	68	38.8 Å²	38.8	70%	0.701	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	15.3	-171.3	0	0	0	0	0	114.3
135	S	89.2	Confident	87.1	Confident	27 Å²	27	42.1 Å²	42.1	19%	0.189	25%	0.253	C	S	.	.			trans	-64.4	141.4	169.9	60.3	0	0	0	0	111.8	K126 L127 A132 A133	K126-S135 CarbonylContact O-C 3.55Å; K126-S135 WeakPolarHBondContact O-CA 3.25Å; L127-S135 WeakPolarHBondContact O-CB 3.33Å; A132-S135 WeakPolarHBondContact O-CB 3.33Å; A132-S135 PolarHBondContact O-N 3.22Å; A132-S135 PolarHBondContact O-OG 3.09Å; A133-S135 VanDerWaalsContact C-N 3.27Å
136	D	88	Confident	87	Confident	74 Å²	74	47 Å²	47	40%	0.396	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-131	80	173.9	-172.6	6.6	0	0	0	108.7	I125 K126	I125-D136 WeakPolarHBondContact CA-O 3.41Å; K126-D136 HydrophobicContact CB-CB 4.07Å; K126-D136 PolarHBondContact N-O 3.41Å; K126-D136 CarbonylContact O-C 3.31Å; K126-D136 PolarHBondContact O-N 3.27Å
137	V	87.5	Confident	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.28	C	S	.	.			trans	-114	14	175.9	-62.3	0	0	0	0	111.6	L68 L139 L140 V141 I160	L68-V137 HydrophobicContact CD1-CG1 4.28Å; V137-L139 VanDerWaalsContact C-N 3.31Å; V137-L139 PolarHBondContact O-N 3.14Å; V137-L140 WeakPolarHBondContact O-CB 3.26Å; V137-L140 PolarHBondContact O-N 2.9Å; V137-V141 HydrophobicContact CG2-CG2 4.42Å; V137-V141 WeakPolarHBondContact O-CG2 3.49Å; V137-V141 PolarHBondContact O-N 3.45Å; V137-I160 HydrophobicContact CG2-CD1 3.68Å
138	Q	85.8	Confident	86.6	Confident	108 Å²	108	46.1 Å²	46.1	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-32.3	-173.7	-64.1	-59.7	-20.7	0	0	112.7	L140 V141 G142	Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-L140 PolarHBondContact O-N 3.16Å; Q138-V141 PolarHBondContact O-N 2.91Å; Q138-G142 PolarHBondContact O-N 3.15Å
139	L	85.4	Confident	86.8	Confident	37 Å²	37	44.8 Å²	44.8	19%	0.194	29%	0.285	C	S	.	.	H	α-helix	trans	-56.5	-49.5	173.5	-169.2	165.4	0	0	0	110.6	V91 V95 V137 G142 H143	V91-L139 HydrophobicContact CB-CD2 4.4Å; V91-L139 HydrophobicContact CG1-CD2 3.9Å; V91-L139 HydrophobicContact CG2-CD2 4Å; V95-L139 HydrophobicContact CG2-CD1 4.47Å; V137-L139 VanDerWaalsContact C-N 3.31Å; V137-L139 PolarHBondContact O-N 3.14Å; L139-G142 PolarHBondContact O-N 3.48Å; L139-H143 PolarHBondContact O-N 3.34Å; L139-H143 VanDerWaalsContact O-N 3.12Å
140	L	87.9	Confident	87	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-49.1	177	-74.3	169.2	0	0	0	111.4	L72 L87 V91 W119 I125 V137 Q138 G142 H143 L144 L156	L72-L140 HydrophobicContact CD2-CD1 3.9Å; L87-L140 HydrophobicContact CD1-CD2 4.16Å; V91-L140 HydrophobicContact CG2-CD2 4.28Å; W119-L140 HydrophobicContact CE3-CD2 4.33Å; W119-L140 HydrophobicContact CZ3-CD2 3.89Å; I125-L140 HydrophobicContact CD1-CD1 3.81Å; I125-L140 HydrophobicContact CG2-CD1 3.83Å; I125-L140 HydrophobicContact CG2-CG 4.07Å; V137-L140 WeakPolarHBondContact O-CB 3.26Å; V137-L140 PolarHBondContact O-N 2.9Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-L140 PolarHBondContact O-N 3.16Å; L140-G142 VanDerWaalsContact C-N 3.3Å; L140-G142 PolarHBondContact O-N 3.45Å; L140-H143 PolarHBondContact O-N 3.44Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.5Å; L140-L144 PolarHBondContact O-N 2.9Å; L140-L156 HydrophobicContact CB-CD1 4.35Å
141	V	89.2	Confident	87.2	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-43.1	179.6	171.4	0	0	0	0	111.6	V137 Q138 K145 A153 L156 K157	V137-V141 HydrophobicContact CG2-CG2 4.42Å; V137-V141 WeakPolarHBondContact O-CG2 3.49Å; V137-V141 PolarHBondContact O-N 3.45Å; Q138-V141 PolarHBondContact O-N 2.91Å; V141-K145 WeakPolarHBondContact O-CG 3.4Å; V141-K145 PolarHBondContact O-N 3.26Å; V141-A153 HydrophobicContact CG1-CB 4.45Å; V141-L156 HydrophobicContact CG2-CB 3.96Å; V141-L156 HydrophobicContact CG2-CD1 4.14Å; V141-K157 HydrophobicContact CG1-CD 4.07Å; V141-K157 HydrophobicContact CG1-CG 4.05Å; V141-K157 HydrophobicContact CG2-CG 4.43Å
142	G	87	Confident	87.6	Confident	35 Å²	35	42.4 Å²	42.4	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-44.8	177.7	0	0	0	0	0	112.2	Q138 L139 L140 K145 S146	Q138-G142 PolarHBondContact O-N 3.15Å; L139-G142 PolarHBondContact O-N 3.48Å; L140-G142 VanDerWaalsContact C-N 3.3Å; L140-G142 PolarHBondContact O-N 3.45Å; G142-K145 PolarHBondContact O-N 3.47Å; G142-S146 PolarHBondContact O-N 3.31Å; G142-S146 PolarHBondContact O-OG 3.12Å
143	H	85.5	Confident	87.8	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-45.6	177.7	171.1	90.8	0	0	0	112.4	L87 D90 V91 L139 L140 K145 S146 N147	L87-H143 VanDerWaalsContact CA-NE2 3.34Å; L87-H143 WeakPolarHBondContact CA-NE2 3.44Å; L87-H143 WeakPolarHBondContact CD1-CD2 3.43Å; L87-H143 WeakPolarHBondContact CD1-NE2 3.39Å; D90-H143 WeakPolarHBondContact CB-CE1 3.5Å; D90-H143 WeakPolarHBondContact CB-ND1 3.37Å; D90-H143 IonicContact OD2-CE1 3.91Å; D90-H143 PolarHBondContact OD2-CE1 3.42Å; D90-H143 IonicContact OD2-ND1 3.14Å; D90-H143 PolarHBondContact OD2-ND1 3.18Å; D90-H143 VanDerWaalsContact OD2-ND1 3.14Å; V91-H143 HydrophobicContact CG2-CB 4.46Å; L139-H143 PolarHBondContact O-N 3.34Å; L139-H143 VanDerWaalsContact O-N 3.12Å; L140-H143 PolarHBondContact O-N 3.44Å; H143-K145 PolarHBondContact O-N 3.19Å; H143-S146 PolarHBondContact O-N 3.02Å; H143-S146 VanDerWaalsContact O-N 3.1Å; H143-N147 PolarHBondContact CE1-ND2 2.84Å; H143-N147 PolarHBondContact ND1-ND2 3.39Å; H143-N147 PolarHBondContact NE2-ND2 3Å; H143-N147 PolarHBondContact O-N 3.22Å; H143-N147 PolarHBondContact O-ND2 3.43Å
144	L	89.8	Confident	88.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-41.9	179.1	-71.1	168.5	0	0	0	110.6	M75 L140 N147 G148 L149 Q152 A153 L156	M75-L144 HydrophobicContact SD-CD1 3.83Å; M75-L144 HydrophobicContact SD-CD2 4Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.5Å; L140-L144 PolarHBondContact O-N 2.9Å; L144-N147 PolarHBondContact O-N 3.14Å; L144-G148 PolarHBondContact O-N 3.33Å; L144-L149 HydrophobicContact CB-CB 4.11Å; L144-L149 HydrophobicContact CD2-CB 3.89Å; L144-L149 HydrophobicContact CD2-CD1 3.59Å; L144-L149 HydrophobicContact CD2-CG 4.39Å; L144-L149 WeakPolarHBondContact O-CA 3.24Å; L144-L149 WeakPolarHBondContact O-CB 3.39Å; L144-L149 PolarHBondContact O-N 3.47Å; L144-Q152 HydrophobicContact CD1-CB 4.04Å; L144-Q152 HydrophobicContact CD2-CB 4.04Å; L144-A153 HydrophobicContact CB-CB 3.88Å; L144-L156 HydrophobicContact CD1-CD1 3.86Å
145	K	89.6	Confident	88.3	Confident	82 Å²	82	41.9 Å²	41.9	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-47	175.2	-73.4	178.2	163.8	-155.9	0	113.4	V141 G142 H143 N147 G148 Q150 A153	V141-K145 WeakPolarHBondContact O-CG 3.4Å; V141-K145 PolarHBondContact O-N 3.26Å; G142-K145 PolarHBondContact O-N 3.47Å; H143-K145 PolarHBondContact O-N 3.19Å; K145-N147 PolarHBondContact O-N 2.9Å; K145-G148 PolarHBondContact O-N 2.86Å; K145-G148 VanDerWaalsContact O-N 3.16Å; K145-Q150 PolarHBondContact O-NE2 3.38Å; K145-A153 HydrophobicContact CG-CB 3.82Å
146	S	85.8	Confident	88.4	Confident	105 Å²	105	40.7 Å²	40.7	73%	0.734	25%	0.245	S	C	*	.	H	α-helix	trans	-63.3	-26.7	-179.8	-62.2	0	0	0	0	113	G142 H143	G142-S146 PolarHBondContact O-N 3.31Å; G142-S146 PolarHBondContact O-OG 3.12Å; H143-S146 PolarHBondContact O-N 3.02Å; H143-S146 VanDerWaalsContact O-N 3.1Å
147	N	84.9	Confident	88.5	Confident	51 Å²	51	40.3 Å²	40.3	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.4	178.8	-80.5	-84.6	0	0	0	113.8	D90 H143 L144 K145 L149	D90-N147 PolarHBondContact OD2-ND2 3.38Å; H143-N147 PolarHBondContact CE1-ND2 2.84Å; H143-N147 PolarHBondContact ND1-ND2 3.39Å; H143-N147 PolarHBondContact NE2-ND2 3Å; H143-N147 PolarHBondContact O-N 3.22Å; H143-N147 PolarHBondContact O-ND2 3.43Å; L144-N147 PolarHBondContact O-N 3.14Å; K145-N147 PolarHBondContact O-N 2.9Å; N147-L149 VanDerWaalsContact C-N 3.27Å; N147-L149 HydrophobicContact CB-CD1 4.48Å; N147-L149 PolarHBondContact O-N 3.44Å
148	G	86.4	Confident	88.6	Confident	58 Å²	58	44.4 Å²	44.4	60%	0.598	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	10.7	177	0	0	0	0	0	115	L144 K145 Q150	L144-G148 PolarHBondContact O-N 3.33Å; K145-G148 PolarHBondContact O-N 2.86Å; K145-G148 VanDerWaalsContact O-N 3.16Å; G148-Q150 VanDerWaalsContact C-N 3.26Å; G148-Q150 PolarHBondContact O-N 3.42Å; G148-Q150 VanDerWaalsContact O-N 3.13Å
149	L	90.6	Very high	88.7	Confident	11 Å²	11	39.3 Å²	39.3	6%	0.058	24%	0.239	C	C	.	.			trans	-88.4	55.9	179.5	-59.8	170	0	0	0	111.2	L79 Q83 L144 N147 A151 Q152 A153	L79-L149 HydrophobicContact CD2-CD1 3.73Å; L79-L149 HydrophobicContact CD2-CD2 3.83Å; L79-L149 HydrophobicContact CD2-CG 4.38Å; Q83-L149 HydrophobicContact CG-CD2 4.2Å; L144-L149 HydrophobicContact CB-CB 4.11Å; L144-L149 HydrophobicContact CD2-CB 3.89Å; L144-L149 HydrophobicContact CD2-CD1 3.59Å; L144-L149 HydrophobicContact CD2-CG 4.39Å; L144-L149 WeakPolarHBondContact O-CA 3.24Å; L144-L149 WeakPolarHBondContact O-CB 3.39Å; L144-L149 PolarHBondContact O-N 3.47Å; N147-L149 VanDerWaalsContact C-N 3.27Å; N147-L149 HydrophobicContact CB-CD1 4.48Å; N147-L149 PolarHBondContact O-N 3.44Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 2.93Å; L149-Q152 HydrophobicContact CB-CB 4.48Å; L149-Q152 PolarHBondContact O-N 3.35Å; L149-A153 PolarHBondContact O-N 3.19Å
150	Q	91.4	Very high	88.9	Confident	90 Å²	90	39.2 Å²	39.2	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-35.1	-175.2	-63.4	-63.3	-23.7	0	0	112.5	K145 G148 A153 N154	K145-Q150 PolarHBondContact O-NE2 3.38Å; G148-Q150 VanDerWaalsContact C-N 3.26Å; G148-Q150 PolarHBondContact O-N 3.42Å; G148-Q150 VanDerWaalsContact O-N 3.13Å; Q150-A153 PolarHBondContact O-N 2.86Å; Q150-N154 WeakPolarHBondContact O-CB 3.48Å; Q150-N154 PolarHBondContact O-N 3.5Å; Q150-N154 PolarHBondContact O-ND2 3.46Å
151	A	87.4	Confident	88.8	Confident	67 Å²	67	45 Å²	45	55%	0.554	27%	0.267	S	S	*	.	H	α-helix	trans	-62.2	-46.3	178.7	0	0	0	0	0	111.9	L149 N154 L155	L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 2.93Å; A151-N154 PolarHBondContact O-N 3.04Å; A151-L155 WeakPolarHBondContact O-CB 3.43Å; A151-L155 PolarHBondContact O-N 3.01Å
152	Q	92	Very high	88.7	Confident	25 Å²	25	49.1 Å²	49.1	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-37.2	178.3	-70	68.9	28.9	0	0	111.5	M75 E78 L79 L144 L149 L155 L156	M75-Q152 HydrophobicContact CG-CB 4.2Å; M75-Q152 HydrophobicContact CG-CG 3.9Å; M75-Q152 HydrophobicContact SD-CB 4.36Å; E78-Q152 PolarHBondContact OE2-NE2 3.22Å; E78-Q152 VanDerWaalsContact OE2-NE2 3.16Å; L79-Q152 HydrophobicContact CD2-CG 4.27Å; L144-Q152 HydrophobicContact CD1-CB 4.04Å; L144-Q152 HydrophobicContact CD2-CB 4.04Å; L149-Q152 HydrophobicContact CB-CB 4.48Å; L149-Q152 PolarHBondContact O-N 3.35Å; Q152-L155 WeakPolarHBondContact O-CB 3.5Å; Q152-L155 PolarHBondContact O-N 2.92Å; Q152-L156 PolarHBondContact O-N 3.34Å
153	A	91.4	Very high	88.6	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.2	0	0	0	0	0	111.9	V141 L144 K145 L149 Q150 K157	V141-A153 HydrophobicContact CG1-CB 4.45Å; L144-A153 HydrophobicContact CB-CB 3.88Å; K145-A153 HydrophobicContact CG-CB 3.82Å; L149-A153 PolarHBondContact O-N 3.19Å; Q150-A153 PolarHBondContact O-N 2.86Å; A153-K157 WeakPolarHBondContact O-CG 3.31Å; A153-K157 PolarHBondContact O-N 2.92Å
154	N	90.4	Very high	88.3	Confident	73 Å²	73	51.1 Å²	51.1	39%	0.39	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-43	176.2	-70.2	-12.2	0	0	0	110.9	Q150 A151 L156 K157 D158	Q150-N154 WeakPolarHBondContact O-CB 3.48Å; Q150-N154 PolarHBondContact O-N 3.5Å; Q150-N154 PolarHBondContact O-ND2 3.46Å; A151-N154 PolarHBondContact O-N 3.04Å; N154-L156 VanDerWaalsContact C-N 3.3Å; N154-L156 PolarHBondContact O-N 3.5Å; N154-K157 PolarHBondContact O-N 2.9Å; N154-K157 VanDerWaalsContact O-N 3.07Å; N154-D158 WeakPolarHBondContact O-CB 3.49Å; N154-D158 PolarHBondContact O-N 2.84Å
155	L	90.3	Very high	87.3	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-51	-48.7	175.4	170.9	62.1	0	0	0	112.2	A59 A151 Q152 T159	A59-L155 HydrophobicContact CB-CD1 3.34Å; A151-L155 WeakPolarHBondContact O-CB 3.43Å; A151-L155 PolarHBondContact O-N 3.01Å; Q152-L155 WeakPolarHBondContact O-CB 3.5Å; Q152-L155 PolarHBondContact O-N 2.92Å; L155-T159 WeakPolarHBondContact O-CB 3.27Å; L155-T159 PolarHBondContact O-N 3.49Å; L155-T159 PolarHBondContact O-OG1 3Å
156	L	90.8	Very high	85.9	Confident	1 Å²	1	60 Å²	60	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-41.6	178.8	-65.8	-178.5	0	0	0	112.2	L68 L72 L140 V141 L144 Q152 N154 T159 I160	L68-L156 HydrophobicContact CD2-CD2 4.29Å; L72-L156 HydrophobicContact CD2-CD1 4.36Å; L72-L156 HydrophobicContact CD2-CD2 4.01Å; L72-L156 HydrophobicContact CG-CD2 4.32Å; L140-L156 HydrophobicContact CB-CD1 4.35Å; V141-L156 HydrophobicContact CG2-CB 3.96Å; V141-L156 HydrophobicContact CG2-CD1 4.14Å; L144-L156 HydrophobicContact CD1-CD1 3.86Å; Q152-L156 PolarHBondContact O-N 3.34Å; N154-L156 VanDerWaalsContact C-N 3.3Å; N154-L156 PolarHBondContact O-N 3.5Å; L156-T159 PolarHBondContact O-N 3.41Å; L156-I160 WeakPolarHBondContact O-CG1 3.2Å; L156-I160 PolarHBondContact O-N 2.98Å
157	K	89.7	Confident	84.2	Confident	67 Å²	67	60.9 Å²	60.9	29%	0.291	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-49.1	178.1	-75.9	174.8	162.6	-131.3	0	112.5	V141 A153 N154 T159 I160 I161	V141-K157 HydrophobicContact CG1-CD 4.07Å; V141-K157 HydrophobicContact CG1-CG 4.05Å; V141-K157 HydrophobicContact CG2-CG 4.43Å; A153-K157 WeakPolarHBondContact O-CG 3.31Å; A153-K157 PolarHBondContact O-N 2.92Å; N154-K157 PolarHBondContact O-N 2.9Å; N154-K157 VanDerWaalsContact O-N 3.07Å; K157-T159 PolarHBondContact O-N 2.87Å; K157-I160 WeakPolarHBondContact O-CB 3.4Å; K157-I160 PolarHBondContact O-N 3.31Å; K157-I161 WeakPolarHBondContact O-CG1 3.31Å; K157-I161 PolarHBondContact O-N 3.32Å
158	D	88.7	Confident	82.1	Confident	86 Å²	86	66.6 Å²	66.6	46%	0.46	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-34.6	-179.7	-62.6	-17.8	0	0	0	110.3	N154 I160 I161 S162	N154-D158 WeakPolarHBondContact O-CB 3.49Å; N154-D158 PolarHBondContact O-N 2.84Å; D158-I160 VanDerWaalsContact C-N 3.35Å; D158-I160 PolarHBondContact O-N 3.42Å; D158-I161 PolarHBondContact O-N 3.5Å; D158-S162 VanDerWaalsContact O-CB 3.23Å; D158-S162 WeakPolarHBondContact O-CB 3.35Å; D158-S162 PolarHBondContact O-N 2.9Å; D158-S162 PolarHBondContact O-OG 3.15Å
159	T	89.2	Confident	79.7	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	40%	0.401	C	S	.	.	H	α-helix	trans	-61	-42	172.4	-57.9	0	0	0	0	111.7	P67 L68 S71 L155 L156 K157 N163	P67-T159 HydrophobicContact CB-CG2 3.83Å; L68-T159 HydrophobicContact CD2-CG2 3.79Å; L68-T159 HydrophobicContact CG-CG2 4.11Å; S71-T159 PolarHBondContact OG-OG1 3.1Å; L155-T159 WeakPolarHBondContact O-CB 3.27Å; L155-T159 PolarHBondContact O-N 3.49Å; L155-T159 PolarHBondContact O-OG1 3Å; L156-T159 PolarHBondContact O-N 3.41Å; K157-T159 PolarHBondContact O-N 2.87Å; T159-N163 PolarHBondContact O-N 3.1Å; T159-N163 PolarHBondContact O-ND2 2.79Å
160	I	89.3	Confident	77.1	Confident	35 Å²	35	73.1 Å²	73.1	18%	0.179	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-49.2	176.6	-62	165.5	0	0	0	110	L68 A132 V137 L156 K157 D158 S162 N163 A164	L68-I160 HydrophobicContact CD1-CG1 4.23Å; L68-I160 HydrophobicContact CD2-CG1 3.99Å; A132-I160 HydrophobicContact CB-CG1 4.48Å; V137-I160 HydrophobicContact CG2-CD1 3.68Å; L156-I160 WeakPolarHBondContact O-CG1 3.2Å; L156-I160 PolarHBondContact O-N 2.98Å; K157-I160 WeakPolarHBondContact O-CB 3.4Å; K157-I160 PolarHBondContact O-N 3.31Å; D158-I160 VanDerWaalsContact C-N 3.35Å; D158-I160 PolarHBondContact O-N 3.42Å; I160-S162 PolarHBondContact O-N 3Å; I160-N163 PolarHBondContact O-N 3.29Å; I160-A164 PolarHBondContact O-N 2.7Å
161	I	86.2	Confident	74.7	Confident	120 Å²	120	72.2 Å²	72.2	62%	0.615	46%	0.455	S	S	*	.	H	α-helix	trans	-61.2	-45.5	-176.7	-66.2	165.6	0	0	0	110.8	K157 D158 N163 A164	K157-I161 WeakPolarHBondContact O-CG1 3.31Å; K157-I161 PolarHBondContact O-N 3.32Å; D158-I161 PolarHBondContact O-N 3.5Å; I161-N163 PolarHBondContact O-N 3.2Å; I161-A164 PolarHBondContact O-N 3.4Å
162	S	85.6	Confident	71.9	Confident	91 Å²	91	75.7 Å²	75.7	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-69.2	-17.2	-176.8	-53.2	0	0	0	0	113.6	D158 I160	D158-S162 VanDerWaalsContact O-CB 3.23Å; D158-S162 WeakPolarHBondContact O-CB 3.35Å; D158-S162 PolarHBondContact O-N 2.9Å; D158-S162 PolarHBondContact O-OG 3.15Å; I160-S162 PolarHBondContact O-N 3Å
163	N	84.8	Confident	69	Low	33 Å²	33	79.2 Å²	79.2	18%	0.176	50%	0.503	C	S	.	.	H	α-helix	trans	-110.6	-2.9	-179.7	-71	-87.3	0	0	0	112.6	G60 P67 N131 T159 I160 I161	G60-N163 PolarHBondContact O-ND2 3.33Å; G60-N163 VanDerWaalsContact O-ND2 3.14Å; P67-N163 HydrophobicContact CG-CB 4.46Å; N131-N163 CarbonylContact C-O 3.57Å; N131-N163 VanDerWaalsContact CB-O 3.27Å; N131-N163 WeakPolarHBondContact CB-O 3.48Å; N131-N163 CarbonylContact O-C 3.59Å; N131-N163 VanDerWaalsContact O-C 3.31Å; T159-N163 PolarHBondContact O-N 3.1Å; T159-N163 PolarHBondContact O-ND2 2.79Å; I160-N163 PolarHBondContact O-N 3.29Å; I161-N163 PolarHBondContact O-N 3.2Å
164	A	79.6	Confident	66	Low	51 Å²	51	83.9 Å²	83.9	42%	0.421	54%	0.542	S	S	.	.	S	Bend	trans	-66.3	143.4	179.6	0	0	0	0	0	111.6	I160 I161	I160-A164 PolarHBondContact O-N 2.7Å; I161-A164 PolarHBondContact O-N 3.4Å
165	P	69.4	Low	63.1	Low	89 Å²	89	89.5 Å²	89.5	58%	0.578	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63	135.3	173.6	-14	26.7	0	0	0	110.7
166	E	60.3	Low	60.2	Low	181 Å²	181	92.1 Å²	92.1	85%	0.846	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-67.2	140.5	174.7	-68.2	-141.4	162.6	0	0	111.4	D168	E166-D168 PolarHBondContact O-N 3.35Å
167	P	49.1	Very low	57.3	Low	123 Å²	123	98.8 Å²	98.8	80%	0.799	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-72.4	125.1	175.2	27.1	-30.3	0	0	0	111	A169	P167-A169 PolarHBondContact O-N 3.11Å
168	D	42.7	Very low	54.5	Low	171 Å²	171	104.8 Å²	104.8	91%	0.914	66%	0.66	S	S	*	*			trans	-45.2	112.1	-175.5	-71.6	-43.6	0	0	0	114.7	E166	E166-D168 PolarHBondContact O-N 3.35Å
169	A	34.9	Very low	51.7	Low	98 Å²	98	108.7 Å²	108.7	81%	0.81	68%	0.675	S	S	*	*			trans	-92.3	109.3	158.4	0	0	0	0	0	109	P167 G171	P167-A169 PolarHBondContact O-N 3.11Å; A169-G171 PolarHBondContact O-N 2.97Å
170	A	36.2	Very low	48.9	Very low	108 Å²	108	118 Å²	118	89%	0.893	72%	0.718	S	S	*	*			trans	-58.2	121.9	174.2	0	0	0	0	0	111.5
171	G	40.9	Very low	46.1	Very low	70 Å²	70	123 Å²	123	72%	0.722	74%	0.744	S	S	*	*	S	Bend	trans	92.1	79.9	158.1	0	0	0	0	0	116.2	A169	A169-G171 PolarHBondContact O-N 2.97Å
172	T	28.8	Very low	43.5	Very low	140 Å²	140	126 Å²	126	86%	0.859	76%	0.756	S	S	*	*	S	Bend		-178.3	118.2	124.1	-61.9	0	0	0	0	108.4
173	A	30.8	Very low	40.9	Very low	100 Å²	100	127.2 Å²	127.2	83%	0.826	76%	0.764	S	S	*	*			trans	30.2	85.6	168.7	0	0	0	0	0	117.8	M175	A173-M175 PolarHBondContact O-N 3.19Å
174	A	29	Very low	38.3	Very low	98 Å²	98	133 Å²	133	81%	0.81	80%	0.795	S	S	*	*			trans	-61.6	124.1	171.2	0	0	0	0	0	112.2	A176	A174-A176 PolarHBondContact O-N 3.07Å
175	M	29.4	Very low	35.9	Very low	190 Å²	190	137.9 Å²	137.9	94%	0.936	81%	0.814	S	S	*	*			trans	-67.6	83.3	159	-78.5	179.7	61.4	0	0	108.7	A173 V177	A173-M175 PolarHBondContact O-N 3.19Å; M175-V177 PolarHBondContact O-N 2.97Å
176	A	28.9	Very low	34.3	Very low	81 Å²	81	141.9 Å²	141.9	67%	0.669	83%	0.825	S	S	*	*			trans	-70.5	111.8	168.4	0	0	0	0	0	108.8	A174 K178	A174-A176 PolarHBondContact O-N 3.07Å; A176-K178 PolarHBondContact O-N 2.82Å
177	V	30.3	Very low	32.8	Very low	141 Å²	141	142.7 Å²	142.7	86%	0.855	83%	0.829	S	S	*	*			trans	-55.5	104.3	158.6	174	0	0	0	0	106.5	M175 Q179	M175-V177 PolarHBondContact O-N 2.97Å; V177-Q179 PolarHBondContact O-N 3.16Å; V177-Q179 VanDerWaalsContact O-N 3.07Å
178	K	29.7	Very low	32.1	Very low	194 Å²	194	142.1 Å²	142.1	84%	0.843	83%	0.828	S	S	*	*			trans	-63.4	110.7	173.5	-87.4	-178.6	173.9	179.8	0	108.3	A176 E180	A176-K178 PolarHBondContact O-N 2.82Å; K178-E180 PolarHBondContact O-N 3.45Å
179	Q	31.1	Very low	31.3	Very low	168 Å²	168	145.1 Å²	145.1	79%	0.785	83%	0.828	S	S	*	*			trans	-56.4	116.6	152.1	-75.1	175.5	-33.7	0	0	107.7	V177 I181	V177-Q179 PolarHBondContact O-N 3.16Å; V177-Q179 VanDerWaalsContact O-N 3.07Å; Q179-I181 PolarHBondContact O-N 3.13Å; Q179-I181 VanDerWaalsContact O-N 3.08Å
180	E	29.7	Very low	30.9	Very low	195 Å²	195	146 Å²	146	91%	0.911	83%	0.827	S	S	*	*			trans	-68.2	99.1	163.1	-73	177.6	160.2	0	0	107.4	K178	K178-E180 PolarHBondContact O-N 3.45Å
181	I	30.8	Very low	30.6	Very low	141 Å²	141	145.9 Å²	145.9	72%	0.723	82%	0.819	S	S	*	*			trans	-100.8	118.8	158.4	-65	177.9	0	0	0	105.7	Q179	Q179-I181 PolarHBondContact O-N 3.13Å; Q179-I181 VanDerWaalsContact O-N 3.08Å
182	E	32.6	Very low	30.1	Very low	183 Å²	183	148 Å²	148	86%	0.855	82%	0.819	S	S	*	*			trans	-51.5	135	171.4	-66.8	168.5	148.2	0	0	111.3
183	S	30.5	Very low	30.6	Very low	117 Å²	117	151.1 Å²	151.1	82%	0.818	82%	0.823	S	S	*	*			trans	-135.7	91.1	148.5	63.9	0	0	0	0	107.4
184	D	29.8	Very low	31.4	Very low	154 Å²	154	150.4 Å²	150.4	82%	0.824	81%	0.805	S	S	*	*			trans	-70.8	122.2	173.9	-151.5	8.5	0	0	0	108.6
185	N	30.1	Very low	33.1	Very low	154 Å²	154	151.7 Å²	151.7	82%	0.824	80%	0.798	S	S	*	*			trans	-139.8	86.6	166.2	-121.4	-2.3	0	0	0	109.4
186	Q	34.5	Very low	35.6	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	77%	0.766	S	S	*	*			trans	23.2	106.8	146	-64.1	-178	-8.2	0	0	117.5
187	Q	30.3	Very low	38.2	Very low	198 Å²	198	142.6 Å²	142.6	93%	0.925	75%	0.746	S	S	*	*				-143	108.5	125.8	-112.2	164.6	16.4	0	0	110.3	Y189	Q187-Y189 PolarHBondContact O-N 3.04Å
188	S	32.6	Very low	40.9	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	74%	0.738	S	S	*	*			trans	-41.9	118.5	173.5	176	0	0	0	0	113.2
189	Y	26.6	Very low	43.7	Very low	235 Å²	235	134.6 Å²	134.6	92%	0.922	70%	0.7	S	S	*	*			trans	-138.4	133.9	140.2	-96.1	-84.1	0	0	0	109.6	Q187	Q187-Y189 PolarHBondContact O-N 3.04Å
190	C	25.8	Very low	46.3	Very low	117 Å²	117	129.3 Å²	129.3	79%	0.791	68%	0.679	S	S	*	*			trans	-50.4	135.9	-169.9	-169.5	0	0	0	0	114.2	T192	C190-T192 PolarHBondContact O-N 3.08Å
191	S	30.5	Very low	49.2	Very low	104 Å²	104	123 Å²	123	73%	0.727	65%	0.648	S	S	*	*			trans	-65.4	118.7	176.9	53.3	0	0	0	0	113.7
192	T	30.8	Very low	51.8	Low	116 Å²	116	123 Å²	123	71%	0.712	64%	0.644	S	S	*	*			trans	-122.6	116.7	137.4	41.1	0	0	0	0	106	C190 I194	C190-T192 PolarHBondContact O-N 3.08Å; T192-I194 PolarHBondContact O-N 3.39Å
193	Q	38.1	Very low	54.4	Low	205 Å²	205	117.5 Å²	117.5	96%	0.958	62%	0.621	S	S	*	*			trans	-66.8	88.3	170.7	-83.1	-174.7	-16.8	0	0	107.7	D195	Q193-D195 PolarHBondContact O-N 2.97Å
194	I	48.6	Very low	57.2	Low	85 Å²	85	111.9 Å²	111.9	44%	0.436	58%	0.582	S	S	.	*			trans	-70.3	113	167.1	-63.4	177.7	0	0	0	105.7	T192 A196 H433	T192-I194 PolarHBondContact O-N 3.39Å; I194-A196 HydrophobicContact CG2-CB 4.14Å; I194-A196 PolarHBondContact O-N 3.46Å; I194-A196 VanDerWaalsContact O-N 3.1Å; I194-H433 HydrophobicContact CG2-CB 4.06Å; I194-H433 WeakPolarHBondContact CG2-CD2 3.46Å
195	D	64.8	Low	60.4	Low	124 Å²	124	104.7 Å²	104.7	66%	0.663	54%	0.543	S	S	*	.			trans	-59.1	113.4	165.8	-156.8	11.1	0	0	0	106.6	Q193 Q432 H433	Q193-D195 PolarHBondContact O-N 2.97Å; D195-Q432 HydrophobicContact CB-CB 4.27Å; D195-Q432 WeakPolarHBondContact O-CA 3.48Å; D195-Q432 WeakPolarHBondContact O-CB 3.42Å; D195-Q432 PolarHBondContact OD1-OE1 3.38Å; D195-H433 PolarHBondContact O-N 3.22Å
196	A	80.9	Confident	63.6	Low	33 Å²	33	97.4 Å²	97.4	27%	0.273	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	127.2	-168.3	0	0	0	0	0	111.1	I194 H433 Y435	I194-A196 HydrophobicContact CG2-CB 4.14Å; I194-A196 PolarHBondContact O-N 3.46Å; I194-A196 VanDerWaalsContact O-N 3.1Å; A196-H433 CarbonylContact C-O 3.58Å; A196-H433 VanDerWaalsContact CA-O 3.27Å; A196-H433 WeakPolarHBondContact CA-O 3.43Å; A196-H433 HydrophobicContact CB-CB 4.12Å; A196-Y435 HydrophobicContact CB-CD2 4.17Å; A196-Y435 HydrophobicContact CB-CE2 3.77Å
197	L	85	Confident	66.6	Low	48 Å²	48	89.2 Å²	89.2	25%	0.251	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.1	170.7	-173.7	68.2	0	0	0	110	L199 P324 Q432 H433 V434 Y435	L197-L199 HydrophobicContact CD2-CD2 4.08Å; L197-L199 HydrophobicContact CG-CD2 4.24Å; L197-P324 HydrophobicContact CD2-CG 3.27Å; L197-Q432 HydrophobicContact CB-CG 4.31Å; L197-H433 PolarHBondContact N-O 2.75Å; L197-V434 HydrophobicContact CB-CG2 4.42Å; L197-V434 WeakPolarHBondContact O-CA 3.41Å; L197-Y435 PolarHBondContact O-N 3.31Å
198	K	86.6	Confident	69.9	Low	158 Å²	158	79.8 Å²	79.8	69%	0.687	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.6	175	-63.4	-178.1	179.1	-179.6	0	109.1	Y435	K198-Y435 HydrophobicContact CG-CD2 4.27Å
199	L	89.1	Confident	73.1	Confident	8 Å²	8	74.5 Å²	74.5	4%	0.042	39%	0.386	C	S	.	.			trans	-78.8	142.1	179.7	-55.9	176	0	0	0	110.1	L197 Y254 D282 P324 V434 Y435 F436 P437	L197-L199 HydrophobicContact CD2-CD2 4.08Å; L197-L199 HydrophobicContact CG-CD2 4.24Å; L199-Y254 WeakPolarHBondContact CD1-OH 3.47Å; L199-D282 HydrophobicContact CD2-CB 3.55Å; L199-P324 HydrophobicContact CD2-CG 4.36Å; L199-V434 HydrophobicContact CD1-CG1 4.18Å; L199-V434 HydrophobicContact CG-CG1 4.42Å; L199-Y435 WeakPolarHBondContact CB-O 3.27Å; L199-Y435 WeakPolarHBondContact CG-O 3.43Å; L199-Y435 PolarHBondContact N-O 3.26Å; L199-F436 HydrophobicContact CD1-CD1 3.95Å; L199-F436 HydrophobicContact CD1-CE1 4.42Å; L199-P437 HydrophobicContact CB-CG 3.83Å; L199-P437 WeakPolarHBondContact O-CA 3.16Å
200	T	85.8	Confident	76.5	Confident	57 Å²	57	63.3 Å²	63.3	35%	0.35	34%	0.342	S	S	.	.			trans	-96	157.3	178.1	62	0	0	0	0	110.9	E202 N203 A204 D282 P437	T200-E202 VanDerWaalsContact C-N 3.34Å; T200-N203 PolarHBondContact OG1-N 3.48Å; T200-A204 WeakPolarHBondContact O-CA 3.19Å; T200-A204 VanDerWaalsContact O-CB 3.29Å; T200-A204 WeakPolarHBondContact O-CB 3.34Å; T200-A204 PolarHBondContact O-N 2.97Å; T200-D282 PolarHBondContact N-OD2 3.01Å; T200-D282 PolarHBondContact OG1-OD2 2.91Å; T200-P437 WeakPolarHBondContact O-CG 3.46Å
201	R	89.3	Confident	80	Confident	64 Å²	64	57.8 Å²	57.8	24%	0.242	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-35	-179.4	-63.5	-174.8	74	-124.2	-10.7	111.3	N203 S251 P437 P438	R201-N203 VanDerWaalsContact C-N 3.28Å; R201-N203 PolarHBondContact O-N 3.13Å; R201-S251 PolarHBondContact NH2-O 3.02Å; R201-P437 HydrophobicContact CB-CB 4.38Å; R201-P437 HydrophobicContact CG-CB 3.55Å; R201-P438 WeakPolarHBondContact CD-O 3.4Å; R201-P438 HydrophobicContact CG-CG 4.45Å; R201-P438 PolarHBondContact NE-O 2.75Å; R201-P438 VanDerWaalsContact NE-O 3.16Å
202	E	85.9	Confident	83.2	Confident	139 Å²	139	52.8 Å²	52.8	65%	0.65	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.5	-177.8	-61.3	70.9	-154.1	0	0	111.5	T200	T200-E202 VanDerWaalsContact C-N 3.34Å
203	N	86.3	Confident	86.3	Confident	68 Å²	68	48.1 Å²	48.1	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	9.6	-176.6	-63.6	-41.8	0	0	0	114.4	T200 R201 G205 D282	T200-N203 PolarHBondContact OG1-N 3.48Å; R201-N203 VanDerWaalsContact C-N 3.28Å; R201-N203 PolarHBondContact O-N 3.13Å; N203-G205 PolarHBondContact O-N 3.27Å; N203-D282 VanDerWaalsContact CB-CG 3.49Å; N203-D282 WeakPolarHBondContact CB-OD1 3.23Å; N203-D282 WeakPolarHBondContact CB-OD2 3.4Å; N203-D282 WeakPolarHBondContact O-CB 3.39Å; N203-D282 PolarHBondContact O-N 2.99Å
204	A	91.1	Very high	89.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.			trans	-39.6	-50.5	-172.6	0	0	0	0	0	113.4	T200 Y254 S283 P437	T200-A204 WeakPolarHBondContact O-CA 3.19Å; T200-A204 VanDerWaalsContact O-CB 3.29Å; T200-A204 WeakPolarHBondContact O-CB 3.34Å; T200-A204 PolarHBondContact O-N 2.97Å; A204-Y254 HydrophobicContact CB-CD1 4.33Å; A204-Y254 HydrophobicContact CB-CD2 3.79Å; A204-Y254 HydrophobicContact CB-CE1 4.35Å; A204-Y254 HydrophobicContact CB-CE2 3.84Å; A204-Y254 HydrophobicContact CB-CG 4.05Å; A204-Y254 WeakPolarHBondContact O-CE1 3.49Å; A204-S283 PolarHBondContact O-N 2.96Å; A204-S283 VanDerWaalsContact O-N 3.15Å; A204-S283 PolarHBondContact O-OG 3.01Å; A204-P437 HydrophobicContact CB-CG 3.72Å
205	G	95.3	Very high	91.6	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.2	-146.8	165.6	0	0	0	0	0	113.4	N203 N255 S283	N203-G205 PolarHBondContact O-N 3.27Å; G205-N255 PolarHBondContact O-N 2.9Å; G205-S283 WeakPolarHBondContact CA-O 3.41Å
206	I	97.7	Very high	93.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.2	-178.3	-61.5	165.9	0	0	0	109	L208 N255 A274 R277 S283 L284 V285	I206-L208 HydrophobicContact CG2-CB 4.42Å; I206-N255 WeakPolarHBondContact CA-O 3.4Å; I206-A274 HydrophobicContact CD1-CB 4.38Å; I206-A274 HydrophobicContact CG2-CB 4.27Å; I206-R277 HydrophobicContact CD1-CB 4.02Å; I206-S283 PolarHBondContact N-O 3.02Å; I206-L284 HydrophobicContact CB-CD1 3.77Å; I206-L284 HydrophobicContact CG2-CD1 4.01Å; I206-V285 PolarHBondContact O-N 3.39Å
207	A	98.6	Very high	93.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	98.1	167.2	0	0	0	0	0	108.3	F249 Y254 N255 V256 E257 V285 F287	A207-F249 HydrophobicContact CB-CB 3.97Å; A207-F249 HydrophobicContact CB-CD1 3.91Å; A207-F249 HydrophobicContact CB-CG 4.08Å; A207-Y254 HydrophobicContact CB-CD1 4.02Å; A207-Y254 HydrophobicContact CB-CG 4.21Å; A207-N255 PolarHBondContact N-O 2.87Å; A207-V256 HydrophobicContact CB-CG1 4.44Å; A207-V256 HydrophobicContact CB-CG2 4.19Å; A207-V256 WeakPolarHBondContact O-CA 3.41Å; A207-E257 PolarHBondContact O-N 2.9Å; A207-V285 CarbonylContact C-O 3.59Å; A207-V285 WeakPolarHBondContact CA-O 3.17Å; A207-F287 HydrophobicContact CB-CE2 4.5Å
208	L	98.8	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.2	-179.7	177.6	64.5	0	0	0	109.8	I206 I210 E257 Y259 R270 I271 A274 V285 V286 F287	I206-L208 HydrophobicContact CG2-CB 4.42Å; L208-I210 HydrophobicContact CD1-CD1 4.22Å; L208-I210 HydrophobicContact CG-CD1 4.25Å; L208-E257 CarbonylContact C-O 3.33Å; L208-E257 WeakPolarHBondContact CA-O 3.43Å; L208-E257 HydrophobicContact CD1-CB 4.13Å; L208-Y259 HydrophobicContact CD1-CD2 3.63Å; L208-Y259 HydrophobicContact CD1-CE2 3.49Å; L208-Y259 VanDerWaalsContact CD1-CE2 3.49Å; L208-R270 HydrophobicContact CD1-CB 4.31Å; L208-R270 HydrophobicContact CD2-CB 4.24Å; L208-I271 HydrophobicContact CD2-CB 4.49Å; L208-I271 HydrophobicContact CD2-CG1 3.81Å; L208-A274 HydrophobicContact CD2-CB 4.23Å; L208-V285 PolarHBondContact N-O 3.01Å; L208-V286 HydrophobicContact CB-CG2 4.3Å; L208-V286 HydrophobicContact CD2-CG1 4.4Å; L208-V286 HydrophobicContact CD2-CG2 4.38Å; L208-V286 CarbonylContact O-C 3.55Å; L208-V286 WeakPolarHBondContact O-CA 3.44Å; L208-F287 PolarHBondContact O-N 3.29Å
209	I	98.9	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.5	-179.3	-50.5	171.3	0	0	0	109.5	K242 L245 I246 V256 E257 A258 Y259 F287 L289	I209-K242 HydrophobicContact CG2-CG 4.25Å; I209-L245 HydrophobicContact CD1-CB 3.67Å; I209-L245 HydrophobicContact CG2-CD1 4.38Å; I209-I246 HydrophobicContact CD1-CG1 3.76Å; I209-V256 HydrophobicContact CD1-CG1 3.6Å; I209-V256 HydrophobicContact CG1-CG1 4.26Å; I209-E257 PolarHBondContact N-O 3.01Å; I209-A258 HydrophobicContact CB-CB 4.14Å; I209-A258 CarbonylContact O-C 3.55Å; I209-A258 WeakPolarHBondContact O-CA 3.38Å; I209-Y259 PolarHBondContact O-N 3.34Å; I209-F287 HydrophobicContact CB-CB 4.46Å; I209-F287 HydrophobicContact CG1-CB 4.34Å; I209-F287 HydrophobicContact CG1-CD2 3.94Å; I209-F287 HydrophobicContact CG1-CG 4.47Å; I209-F287 HydrophobicContact CG2-CB 4.22Å; I209-L289 HydrophobicContact CG2-CD1 4.31Å
210	I	98.9	Very high	94.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.1	171.6	-56.1	-57.2	0	0	0	108.4	L208 Q212 Y259 I267 R270 F287 L289	L208-I210 HydrophobicContact CD1-CD1 4.22Å; L208-I210 HydrophobicContact CG-CD1 4.25Å; I210-Q212 HydrophobicContact CG2-CG 4.31Å; I210-Y259 HydrophobicContact CD1-CD2 4.25Å; I210-I267 HydrophobicContact CG2-CD1 3.99Å; I210-I267 HydrophobicContact CG2-CG1 3.85Å; I210-R270 HydrophobicContact CD1-CB 4.49Å; I210-F287 PolarHBondContact N-O 2.98Å; I210-L289 PolarHBondContact O-N 2.87Å
211	N	98.7	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.7	-175.1	179.7	49.5	0	0	0	111.4	T238 D239 K242 Y259 D260 N261 L289	N211-T238 WeakPolarHBondContact OD1-CB 3.17Å; N211-T238 WeakPolarHBondContact OD1-CG2 3.5Å; N211-T238 PolarHBondContact OD1-O 3.3Å; N211-T238 PolarHBondContact OD1-OG1 2.77Å; N211-D239 PolarHBondContact ND2-OD1 3.25Å; N211-K242 HydrophobicContact CB-CB 4.37Å; N211-K242 HydrophobicContact CB-CD 3.96Å; N211-K242 HydrophobicContact CB-CG 4.41Å; N211-Y259 PolarHBondContact N-O 2.94Å; N211-D260 WeakPolarHBondContact CB-OD1 3.38Å; N211-D260 PolarHBondContact ND2-OD1 3.16Å; N211-D260 CarbonylContact O-C 3.45Å; N211-D260 VanDerWaalsContact O-CA 3.3Å; N211-D260 WeakPolarHBondContact O-CA 3.41Å; N211-N261 PolarHBondContact O-N 3.4Å; N211-L289 HydrophobicContact CB-CD1 4.48Å
212	Q	98.2	Very high	95.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.			trans	-101.2	103.2	-177.6	-54.9	-67.7	-6.4	0	0	110	I210 F215 R235 V262 L289 S290 S300	I210-Q212 HydrophobicContact CG2-CG 4.31Å; Q212-F215 HydrophobicContact CB-CE1 3.92Å; Q212-F215 HydrophobicContact CB-CE2 4.43Å; Q212-F215 HydrophobicContact CB-CZ 3.55Å; Q212-R235 WeakPolarHBondContact O-CD 3.14Å; Q212-R235 PolarHBondContact O-NH1 3.38Å; Q212-V262 PolarHBondContact NE2-O 2.85Å; Q212-V262 PolarHBondContact OE1-O 2.96Å; Q212-L289 WeakPolarHBondContact CB-O 3.21Å; Q212-L289 PolarHBondContact N-O 3.15Å; Q212-S290 WeakPolarHBondContact CB-OG 3.07Å; Q212-S290 WeakPolarHBondContact CG-OG 3.5Å; Q212-S300 VanDerWaalsContact OE1-CB 3.26Å
213	Q	96.9	Very high	95.7	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	23%	0.229	C	C	.	.			trans	-99.3	-45.4	177.7	-171.2	-178.1	66.7	0	0	112.4	R234 R235 T238 D239 N261	Q213-R234 HydrophobicContact CG-CG 4.11Å; Q213-R234 CarbonylContact O-C 3.58Å; Q213-R234 WeakPolarHBondContact O-CA 3.42Å; Q213-R234 WeakPolarHBondContact O-CG 3.29Å; Q213-R235 PolarHBondContact O-N 3.18Å; Q213-T238 HydrophobicContact CB-CG2 3.68Å; Q213-T238 HydrophobicContact CG-CG2 3.91Å; Q213-D239 PolarHBondContact NE2-OD2 3.42Å; Q213-N261 WeakPolarHBondContact CA-OD1 3.33Å; Q213-N261 PolarHBondContact N-OD1 2.64Å
214	K	97.8	Very high	96.1	Very high	110 Å²	110	49.8 Å²	49.8	48%	0.478	24%	0.238	S	C	.	.			trans	-117.8	142.5	-173.3	-62.9	178.2	-174.8	173.3	0	109.5	R234 N261	K214-R234 HydrophobicContact CG-CG 4.37Å; K214-N261 PolarHBondContact N-OD1 2.8Å; K214-N261 PolarHBondContact O-OD1 2.81Å
215	F	98.2	Very high	96.2	Very high	33 Å²	33	53.9 Å²	53.9	15%	0.145	26%	0.256	C	S	.	.			trans	-126.6	140.9	-176.3	-60.6	-94.1	0	0	0	110.7	Q212 L232 R235 H291 A299 S300	Q212-F215 HydrophobicContact CB-CE1 3.92Å; Q212-F215 HydrophobicContact CB-CE2 4.43Å; Q212-F215 HydrophobicContact CB-CZ 3.55Å; F215-L232 HydrophobicContact CB-CB 3.82Å; F215-L232 HydrophobicContact CB-CD1 4.46Å; F215-L232 HydrophobicContact CD1-CB 4.26Å; F215-L232 HydrophobicContact CD1-CD1 3.65Å; F215-L232 HydrophobicContact CD2-CB 4.08Å; F215-L232 HydrophobicContact CE1-CD1 4.08Å; F215-L232 HydrophobicContact CG-CB 3.78Å; F215-L232 HydrophobicContact CG-CD1 4.05Å; F215-R235 HydrophobicContact CE2-CG 3.97Å; F215-H291 AromaticContact CD2-CD2 3.81Å; F215-H291 AromaticContact CE2-CD2 3.29Å; F215-H291 WeakPolarHBondContact CE2-CD2 3.4Å; F215-H291 AromaticContact CE2-NE2 3.81Å; F215-H291 HydrophobicContact CZ-CB 4.38Å; F215-H291 AromaticContact CZ-CD2 3.48Å; F215-H291 VanDerWaalsContact CZ-CD2 3.48Å; F215-H291 WeakPolarHBondContact CZ-CD2 3.32Å; F215-A299 WeakPolarHBondContact CD1-O 3.22Å; F215-S300 CarbonylContact C-O 3.57Å; F215-S300 WeakPolarHBondContact CA-O 3.36Å
216	H	97.1	Very high	96.2	Very high	78 Å²	78	54.7 Å²	54.7	36%	0.361	26%	0.259	S	S	.	.			trans	-129.1	169.6	172.6	67.7	93.2	0	0	0	109.9	N218 S300 N301 S302	H216-N218 PolarHBondContact ND1-N 2.98Å; H216-S300 PolarHBondContact CD2-O 2.75Å; H216-S300 PolarHBondContact N-O 2.81Å; H216-N301 VanDerWaalsContact CE1-CB 3.41Å; H216-N301 WeakPolarHBondContact CE1-CB 3.27Å; H216-N301 CarbonylContact O-C 3.04Å; H216-N301 VanDerWaalsContact O-CA 3.26Å; H216-N301 WeakPolarHBondContact O-CA 3.18Å; H216-N301 VanDerWaalsContact O-O 3.12Å; H216-S302 WeakPolarHBondContact O-CB 3.32Å; H216-S302 PolarHBondContact O-N 2.83Å; H216-S302 PolarHBondContact O-OG 2.85Å
217	R	96.4	Very high	96	Very high	83 Å²	83	55.6 Å²	55.6	31%	0.313	26%	0.263	S	S	.	.			trans	-122.2	10	-179	-58.9	172.9	67.1	85.1	4	112.9	V219 L227 S228 P229 D230	R217-V219 PolarHBondContact O-N 2.9Å; R217-V219 VanDerWaalsContact O-N 3.08Å; R217-L227 HydrophobicContact CB-CD2 4.44Å; R217-S228 PolarHBondContact NH1-O 2.74Å; R217-S228 PolarHBondContact NH2-O 2.82Å; R217-P229 PolarHBondContact NH2-O 3.21Å; R217-D230 PolarHBondContact NH1-O 3.21Å
218	N	94.4	Very high	95.7	Very high	141 Å²	141	55.9 Å²	55.9	75%	0.754	27%	0.266	S	S	*	.			trans	-71.9	98.9	177.8	-59	-11.4	0	0	0	109.4	H216	H216-N218 PolarHBondContact ND1-N 2.98Å
219	V	94.5	Very high	95.4	Very high	29 Å²	29	58.1 Å²	58.1	18%	0.176	28%	0.28	C	S	.	.			trans	-137.7	161.5	-179.7	-59.7	0	0	0	0	110.5	R217 N223 M224 L227 N301 I303	R217-V219 PolarHBondContact O-N 2.9Å; R217-V219 VanDerWaalsContact O-N 3.08Å; V219-N223 HydrophobicContact CB-CB 4.04Å; V219-N223 HydrophobicContact CG2-CB 4.21Å; V219-M224 HydrophobicContact CG2-CG 4.18Å; V219-L227 HydrophobicContact CG1-CD2 3.89Å; V219-L227 HydrophobicContact CG2-CD1 3.65Å; V219-L227 HydrophobicContact CG2-CD2 3.85Å; V219-L227 HydrophobicContact CG2-CG 3.83Å; V219-N301 HydrophobicContact CG1-CB 3.95Å; V219-I303 HydrophobicContact CG1-CD1 4.08Å; V219-I303 HydrophobicContact CG1-CG1 4.26Å
220	S	93.8	Very high	95	Very high	61 Å²	61	62.6 Å²	62.6	43%	0.427	30%	0.304	S	S	.	.			trans	-62.6	158.5	171.7	59.2	0	0	0	0	111.5	D222 N223 M224	S220-D222 PolarHBondContact O-N 3.05Å; S220-N223 PolarHBondContact O-N 3.2Å; S220-N223 PolarHBondContact OG-ND2 3.46Å; S220-M224 PolarHBondContact O-N 3.25Å
221	R	92.5	Very high	94.7	Very high	216 Å²	216	67.4 Å²	67.4	82%	0.815	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-55	-41.3	178.8	-73	-174.7	-179.1	-179.3	0.9	112.3	N223 M224	R221-N223 PolarHBondContact O-N 3.1Å; R221-M224 HydrophobicContact CG-CE 4.47Å; R221-M224 WeakPolarHBondContact O-CB 3.45Å; R221-M224 PolarHBondContact O-N 3.03Å
222	D	92.6	Very high	94.4	Very high	131 Å²	131	69.1 Å²	69.1	70%	0.701	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.3	-178.5	-55.7	-29.5	0	0	0	112.9	S220	S220-D222 PolarHBondContact O-N 3.05Å
223	N	94.1	Very high	94.2	Very high	32 Å²	32	79.3 Å²	79.3	17%	0.171	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-92.1	-7.9	-179	-76.8	-21.4	0	0	0	113.8	V219 S220 R221 K225 F226 I303	V219-N223 HydrophobicContact CB-CB 4.04Å; V219-N223 HydrophobicContact CG2-CB 4.21Å; S220-N223 PolarHBondContact O-N 3.2Å; S220-N223 PolarHBondContact OG-ND2 3.46Å; R221-N223 PolarHBondContact O-N 3.1Å; N223-K225 PolarHBondContact O-N 3.48Å; N223-K225 VanDerWaalsContact O-N 3.17Å; N223-F226 HydrophobicContact CB-CD2 4.35Å; N223-F226 PolarHBondContact O-N 3.41Å; N223-F226 VanDerWaalsContact O-N 3.1Å; N223-I303 HydrophobicContact CB-CD1 3.8Å
224	M	93.4	Very high	94.2	Very high	111 Å²	111	84.8 Å²	84.8	55%	0.547	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-59.6	-30.4	-177.3	-73.4	-176.6	171.4	0	0	113	V219 S220 R221 F226 L227	V219-M224 HydrophobicContact CG2-CG 4.18Å; S220-M224 PolarHBondContact O-N 3.25Å; R221-M224 HydrophobicContact CG-CE 4.47Å; R221-M224 WeakPolarHBondContact O-CB 3.45Å; R221-M224 PolarHBondContact O-N 3.03Å; M224-F226 PolarHBondContact O-N 2.76Å; M224-L227 HydrophobicContact CB-CD1 4.43Å; M224-L227 HydrophobicContact CG-CD1 4.4Å; M224-L227 WeakPolarHBondContact O-CB 3.42Å; M224-L227 PolarHBondContact O-N 3.17Å
225	K	93.6	Very high	94	Very high	85 Å²	85	79.9 Å²	79.9	37%	0.37	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-67.4	-19.5	179.2	61.1	-177.2	-177.5	151	0	114.5	N223 N343 E344	N223-K225 PolarHBondContact O-N 3.48Å; N223-K225 VanDerWaalsContact O-N 3.17Å; K225-N343 PolarHBondContact O-N 3.31Å; K225-E344 WeakPolarHBondContact CE-OE2 3.34Å; K225-E344 IonicContact NZ-OE1 3.58Å; K225-E344 IonicContact NZ-OE2 2.75Å; K225-E344 PolarHBondContact NZ-OE2 2.92Å; K225-E344 PolarHBondContact O-N 3.22Å; K225-E344 VanDerWaalsContact O-N 3.16Å
226	F	94.6	Very high	93.6	Very high	20 Å²	20	81.6 Å²	81.6	9%	0.088	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-95.9	-7.1	179.1	-47.5	-61.9	0	0	0	113.6	N223 M224 I303 A304 E344 F346	N223-F226 HydrophobicContact CB-CD2 4.35Å; N223-F226 PolarHBondContact O-N 3.41Å; N223-F226 VanDerWaalsContact O-N 3.1Å; M224-F226 PolarHBondContact O-N 2.76Å; F226-I303 HydrophobicContact CB-CB 4.48Å; F226-I303 HydrophobicContact CB-CG1 4.32Å; F226-I303 HydrophobicContact CB-CG2 3.81Å; F226-A304 PolarHBondContact O-N 2.81Å; F226-A304 VanDerWaalsContact O-N 3.08Å; F226-E344 WeakPolarHBondContact CA-O 3.48Å; F226-E344 HydrophobicContact CD1-CB 3.72Å; F226-E344 HydrophobicContact CE1-CB 3.73Å; F226-F346 HydrophobicContact CB-CB 4.38Å; F226-F346 HydrophobicContact CD1-CB 4.24Å; F226-F346 HydrophobicContact CD2-CB 4.4Å; F226-F346 AromaticContact CD2-CD2 3.88Å; F226-F346 HydrophobicContact CD2-CD2 3.88Å; F226-F346 AromaticContact CE2-CD2 3.77Å; F226-F346 HydrophobicContact CE2-CD2 3.77Å; F226-F346 HydrophobicContact CE2-CE2 4.46Å; F226-F346 HydrophobicContact CG-CB 4.11Å; F226-F346 HydrophobicContact CG-CD2 4.42Å; F226-F346 HydrophobicContact CZ-CD2 4.2Å
227	L	94.2	Very high	93.2	Very high	20 Å²	20	78.3 Å²	78.3	11%	0.105	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-65.2	142.7	-179.2	-74.5	174	0	0	0	110.9	R217 V219 M224 N301 S302 I303 P342	R217-L227 HydrophobicContact CB-CD2 4.44Å; V219-L227 HydrophobicContact CG1-CD2 3.89Å; V219-L227 HydrophobicContact CG2-CD1 3.65Å; V219-L227 HydrophobicContact CG2-CD2 3.85Å; V219-L227 HydrophobicContact CG2-CG 3.83Å; M224-L227 HydrophobicContact CB-CD1 4.43Å; M224-L227 HydrophobicContact CG-CD1 4.4Å; M224-L227 WeakPolarHBondContact O-CB 3.42Å; M224-L227 PolarHBondContact O-N 3.17Å; L227-N301 VanDerWaalsContact CD2-O 3.23Å; L227-N301 WeakPolarHBondContact CD2-O 3.1Å; L227-S302 CarbonylContact C-O 3.6Å; L227-S302 WeakPolarHBondContact CA-O 3.5Å; L227-I303 HydrophobicContact CD2-CG1 4.28Å; L227-P342 VanDerWaalsContact O-CB 3.31Å; L227-P342 WeakPolarHBondContact O-CB 3.19Å
228	S	93	Very high	93.2	Very high	7 Å²	7	74.4 Å²	74.4	5%	0.049	36%	0.364	C	S	.	.			trans	-47.1	140.8	161.6	-168.9	0	0	0	0	110.3	R217 D230 Y298 S302	R217-S228 PolarHBondContact NH1-O 2.74Å; R217-S228 PolarHBondContact NH2-O 2.82Å; S228-D230 VanDerWaalsContact C-N 3.3Å; S228-D230 WeakPolarHBondContact CB-O 3.26Å; S228-D230 PolarHBondContact O-N 2.68Å; S228-D230 PolarHBondContact OG-O 3.05Å; S228-Y298 VanDerWaalsContact CB-CE1 3.5Å; S228-Y298 PolarHBondContact OG-OH 3.31Å; S228-S302 PolarHBondContact N-O 2.78Å
229	P	90.9	Very high	93.3	Very high	46 Å²	46	70 Å²	70	30%	0.299	34%	0.341	S	S	.	.	S	Bend	trans	-62.4	-39.3	176.8	-29.5	40.5	0	0	0	112.6	R217 K340 K341	R217-P229 PolarHBondContact NH2-O 3.21Å; P229-K340 WeakPolarHBondContact CD-O 3.48Å; P229-K340 WeakPolarHBondContact CG-O 3.43Å; P229-K341 VanDerWaalsContact CG-C 3.44Å; P229-K341 WeakPolarHBondContact CG-O 3.39Å
230	D	90.3	Very high	93.4	Very high	94 Å²	94	71.6 Å²	71.6	50%	0.503	35%	0.35	S	S	.	.	S	Bend	trans	-110.2	155.3	-177.2	-63.4	-52.2	0	0	0	111.7	R217 S228 L232	R217-D230 PolarHBondContact NH1-O 3.21Å; S228-D230 VanDerWaalsContact C-N 3.3Å; S228-D230 WeakPolarHBondContact CB-O 3.26Å; S228-D230 PolarHBondContact O-N 2.68Å; S228-D230 PolarHBondContact OG-O 3.05Å; D230-L232 PolarHBondContact O-N 3.18Å
231	P	93.3	Very high	93.6	Very high	102 Å²	102	68.8 Å²	68.8	66%	0.662	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-59.4	128.6	170	-23.5	34.5	0	0	0	112.2
232	L	93.6	Very high	93.9	Very high	35 Å²	35	59.3 Å²	59.3	18%	0.183	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-79.4	135.3	177.6	-63.6	175.8	0	0	0	110.7	F215 D230 H291 Y298	F215-L232 HydrophobicContact CB-CB 3.82Å; F215-L232 HydrophobicContact CB-CD1 4.46Å; F215-L232 HydrophobicContact CD1-CB 4.26Å; F215-L232 HydrophobicContact CD1-CD1 3.65Å; F215-L232 HydrophobicContact CD2-CB 4.08Å; F215-L232 HydrophobicContact CE1-CD1 4.08Å; F215-L232 HydrophobicContact CG-CB 3.78Å; F215-L232 HydrophobicContact CG-CD1 4.05Å; D230-L232 PolarHBondContact O-N 3.18Å; L232-H291 HydrophobicContact CD1-CB 4.33Å; L232-H291 HydrophobicContact CD2-CB 4.4Å; L232-Y298 HydrophobicContact CD1-CD1 3.98Å; L232-Y298 HydrophobicContact CD1-CD2 3.74Å; L232-Y298 HydrophobicContact CD1-CE2 4.3Å; L232-Y298 HydrophobicContact CD1-CG 3.54Å; L232-Y298 HydrophobicContact CD2-CD2 4.24Å; L232-Y298 HydrophobicContact CD2-CE2 4.15Å
233	R	93.9	Very high	94.1	Very high	214 Å²	214	58.1 Å²	58.1	81%	0.808	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-72.1	154.9	179.6	-63.4	-177.8	-178.4	176.7	0.1	111.3	H291	R233-H291 PolarHBondContact O-NE2 3.36Å
234	R	95.1	Very high	94.3	Very high	132 Å²	132	59 Å²	59	50%	0.498	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-59.9	140.6	170.3	-170.8	178.4	178.5	177.2	-2.4	110.5	Q213 K214 D236	Q213-R234 HydrophobicContact CG-CG 4.11Å; Q213-R234 CarbonylContact O-C 3.58Å; Q213-R234 WeakPolarHBondContact O-CA 3.42Å; Q213-R234 WeakPolarHBondContact O-CG 3.29Å; K214-R234 HydrophobicContact CG-CG 4.37Å; R234-D236 WeakPolarHBondContact CD-OD1 3.3Å; R234-D236 WeakPolarHBondContact CG-OD1 3.48Å; R234-D236 IonicContact CZ-OD1 3.99Å; R234-D236 IonicContact NE-OD1 2.82Å; R234-D236 PolarHBondContact NE-OD1 3.16Å; R234-D236 VanDerWaalsContact NE-OD1 3.11Å
235	R	94.2	Very high	94.6	Very high	8 Å²	8	53.7 Å²	53.7	3%	0.03	26%	0.26	C	S	.	.			trans	-98	76.1	177.8	-72.2	-179.4	71.4	-102.5	2.2	110.8	Q212 Q213 F215 T238 L289 S290 H291 R375	Q212-R235 WeakPolarHBondContact O-CD 3.14Å; Q212-R235 PolarHBondContact O-NH1 3.38Å; Q213-R235 PolarHBondContact O-N 3.18Å; F215-R235 HydrophobicContact CE2-CG 3.97Å; R235-T238 HydrophobicContact CB-CG2 4.38Å; R235-T238 PolarHBondContact NH1-OG1 3.49Å; R235-T238 VanDerWaalsContact O-CG2 3.27Å; R235-T238 WeakPolarHBondContact O-CG2 3.48Å; R235-T238 PolarHBondContact O-N 2.97Å; R235-L289 VanDerWaalsContact NH1-C 3.29Å; R235-L289 PolarHBondContact NH1-O 3.35Å; R235-S290 PolarHBondContact NE-O 3.19Å; R235-S290 VanDerWaalsContact NE-O 3.13Å; R235-S290 PolarHBondContact NH2-O 3.28Å; R235-H291 WeakPolarHBondContact CG-NE2 3.37Å; R235-R375 VanDerWaalsContact C-CZ 3.49Å; R235-R375 PolarHBondContact O-NH1 3.42Å
236	D	90.2	Very high	94.8	Very high	69 Å²	69	51.8 Å²	51.8	37%	0.369	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	132.9	176.2	-58.6	-45.6	0	0	0	112.8	R234 R375 T377	R234-D236 WeakPolarHBondContact CD-OD1 3.3Å; R234-D236 WeakPolarHBondContact CG-OD1 3.48Å; R234-D236 IonicContact CZ-OD1 3.99Å; R234-D236 IonicContact NE-OD1 2.82Å; R234-D236 PolarHBondContact NE-OD1 3.16Å; R234-D236 VanDerWaalsContact NE-OD1 3.11Å; D236-R375 VanDerWaalsContact C-NH1 3.3Å; D236-R375 VanDerWaalsContact N-NH2 3.13Å; D236-R375 PolarHBondContact O-NH1 3.33Å; D236-R375 PolarHBondContact O-NH2 3.04Å; D236-T377 HydrophobicContact CB-CG2 4.39Å
237	G	89.6	Confident	95	Very high	9 Å²	9	55.9 Å²	55.9	9%	0.093	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-4	-175.3	0	0	0	0	0	115.5	D239 V240 T377	G237-D239 PolarHBondContact O-N 3.31Å; G237-V240 WeakPolarHBondContact O-CB 3.47Å; G237-V240 PolarHBondContact O-N 2.79Å; G237-T377 WeakPolarHBondContact CA-O 3.11Å; G237-T377 PolarHBondContact N-O 3.09Å
238	T	95.3	Very high	95.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-25.8	176.5	-163.1	0	0	0	0	112	N211 Q213 R235 V240 D241 K242	N211-T238 WeakPolarHBondContact OD1-CB 3.17Å; N211-T238 WeakPolarHBondContact OD1-CG2 3.5Å; N211-T238 PolarHBondContact OD1-O 3.3Å; N211-T238 PolarHBondContact OD1-OG1 2.77Å; Q213-T238 HydrophobicContact CB-CG2 3.68Å; Q213-T238 HydrophobicContact CG-CG2 3.91Å; R235-T238 HydrophobicContact CB-CG2 4.38Å; R235-T238 PolarHBondContact NH1-OG1 3.49Å; R235-T238 VanDerWaalsContact O-CG2 3.27Å; R235-T238 WeakPolarHBondContact O-CG2 3.48Å; R235-T238 PolarHBondContact O-N 2.97Å; T238-V240 VanDerWaalsContact C-N 3.26Å; T238-V240 PolarHBondContact O-N 2.8Å; T238-D241 WeakPolarHBondContact O-CB 3.2Å; T238-D241 PolarHBondContact O-N 3.07Å; T238-K242 PolarHBondContact O-N 3.44Å
239	D	96.9	Very high	95.3	Very high	50 Å²	50	54.6 Å²	54.6	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-68.9	-30.4	176.4	-60	-33.4	0	0	0	110.9	N211 Q213 G237 D241 K242 E243	N211-D239 PolarHBondContact ND2-OD1 3.25Å; Q213-D239 PolarHBondContact NE2-OD2 3.42Å; G237-D239 PolarHBondContact O-N 3.31Å; D239-D241 VanDerWaalsContact C-N 3.32Å; D239-D241 PolarHBondContact O-N 3.26Å; D239-K242 WeakPolarHBondContact O-CB 3.46Å; D239-K242 PolarHBondContact O-N 2.88Å; D239-K242 IonicContact OD1-NZ 3.35Å; D239-E243 WeakPolarHBondContact O-CG 3.48Å; D239-E243 PolarHBondContact O-N 2.91Å
240	V	96.6	Very high	95.6	Very high	61 Å²	61	55.1 Å²	55.1	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-43.3	173.4	-176.7	0	0	0	0	110.5	G237 T238 R244	G237-V240 WeakPolarHBondContact O-CB 3.47Å; G237-V240 PolarHBondContact O-N 2.79Å; T238-V240 VanDerWaalsContact C-N 3.26Å; T238-V240 PolarHBondContact O-N 2.8Å; V240-R244 WeakPolarHBondContact O-CB 3.26Å; V240-R244 PolarHBondContact O-N 2.97Å; V240-R244 VanDerWaalsContact O-N 3.08Å
241	D	97.3	Very high	95.9	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-45	174.5	-70.6	-22.3	0	0	0	111.4	T238 D239 R244 L245 L289 G380 S381 I384	T238-D241 WeakPolarHBondContact O-CB 3.2Å; T238-D241 PolarHBondContact O-N 3.07Å; D239-D241 VanDerWaalsContact C-N 3.32Å; D239-D241 PolarHBondContact O-N 3.26Å; D241-R244 PolarHBondContact O-N 2.92Å; D241-L245 VanDerWaalsContact O-CG 3.31Å; D241-L245 WeakPolarHBondContact O-CG 3.39Å; D241-L245 PolarHBondContact O-N 3.41Å; D241-L289 HydrophobicContact CB-CD1 3.88Å; D241-G380 VanDerWaalsContact OD1-CA 3.25Å; D241-G380 WeakPolarHBondContact OD1-CA 3.48Å; D241-S381 VanDerWaalsContact CG-OG 3.23Å; D241-S381 PolarHBondContact OD1-N 3.31Å; D241-S381 PolarHBondContact OD1-OG 3.36Å; D241-S381 VanDerWaalsContact OD2-CB 3.24Å; D241-S381 WeakPolarHBondContact OD2-CB 3.47Å; D241-S381 PolarHBondContact OD2-N 2.93Å; D241-S381 PolarHBondContact OD2-OG 3.14Å; D241-I384 HydrophobicContact CB-CB 4.12Å; D241-I384 HydrophobicContact CB-CG1 4.33Å; D241-I384 HydrophobicContact CB-CG2 3.84Å
242	K	98.4	Very high	96	Very high	17 Å²	17	46.8 Å²	46.8	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-52.6	177.2	176.3	-175.1	66.8	-178.5	0	111.6	I209 N211 T238 D239 R244 L245 I246 A258 D260 L289	I209-K242 HydrophobicContact CG2-CG 4.25Å; N211-K242 HydrophobicContact CB-CB 4.37Å; N211-K242 HydrophobicContact CB-CD 3.96Å; N211-K242 HydrophobicContact CB-CG 4.41Å; T238-K242 PolarHBondContact O-N 3.44Å; D239-K242 WeakPolarHBondContact O-CB 3.46Å; D239-K242 PolarHBondContact O-N 2.88Å; D239-K242 IonicContact OD1-NZ 3.35Å; K242-R244 VanDerWaalsContact C-N 3.3Å; K242-R244 PolarHBondContact O-N 3.29Å; K242-L245 PolarHBondContact O-N 2.9Å; K242-I246 HydrophobicContact CG-CD1 3.94Å; K242-I246 WeakPolarHBondContact O-CG1 3.47Å; K242-I246 PolarHBondContact O-N 2.88Å; K242-A258 HydrophobicContact CD-CB 4.14Å; K242-A258 HydrophobicContact CG-CB 4.29Å; K242-D260 IonicContact NZ-OD1 3.68Å; K242-D260 PolarHBondContact NZ-OD1 2.97Å; K242-D260 IonicContact NZ-OD2 3.72Å; K242-D260 PolarHBondContact NZ-OD2 3.08Å; K242-L289 HydrophobicContact CB-CD1 4.39Å
243	E	98.4	Very high	96	Very high	106 Å²	106	46.4 Å²	46.4	50%	0.495	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-39.7	-178.2	-66.3	-47.7	138.2	0	0	111.5	D239 L245 I246 E247	D239-E243 WeakPolarHBondContact O-CG 3.48Å; D239-E243 PolarHBondContact O-N 2.91Å; E243-L245 PolarHBondContact O-N 3.38Å; E243-I246 PolarHBondContact O-N 3.24Å; E243-E247 PolarHBondContact O-N 2.94Å
244	R	97.9	Very high	96.2	Very high	50 Å²	50	36.7 Å²	36.7	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-41.6	176.6	-169.6	65.3	174.5	127.8	7.6	112.1	V240 D241 K242 E247 V248 C388 D389 D392	V240-R244 WeakPolarHBondContact O-CB 3.26Å; V240-R244 PolarHBondContact O-N 2.97Å; V240-R244 VanDerWaalsContact O-N 3.08Å; D241-R244 PolarHBondContact O-N 2.92Å; K242-R244 VanDerWaalsContact C-N 3.3Å; K242-R244 PolarHBondContact O-N 3.29Å; R244-E247 IonicContact CZ-OE2 2.76Å; R244-E247 IonicContact NH1-OE1 3.31Å; R244-E247 PolarHBondContact NH1-OE1 3.19Å; R244-E247 VanDerWaalsContact NH1-OE1 3.16Å; R244-E247 IonicContact NH1-OE2 3.42Å; R244-E247 PolarHBondContact NH1-OE2 3.32Å; R244-E247 PolarHBondContact O-N 3.48Å; R244-V248 WeakPolarHBondContact O-CG2 3.39Å; R244-V248 PolarHBondContact O-N 2.91Å; R244-V248 VanDerWaalsContact O-N 3.08Å; R244-C388 HydrophobicContact CG-CB 3.55Å; R244-D389 IonicContact CZ-OD1 2.8Å; R244-D389 IonicContact NE-OD1 3.11Å; R244-D389 IonicContact NH2-OD1 3.67Å; R244-D389 PolarHBondContact NH2-OD1 3.46Å; R244-D392 IonicContact CZ-OD2 3.94Å; R244-D392 IonicContact NH1-OD2 3.18Å; R244-D392 PolarHBondContact NH1-OD2 2.9Å; R244-D392 IonicContact NH2-OD2 3.04Å; R244-D392 PolarHBondContact NH2-OD2 2.84Å
245	L	98.6	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-41.3	174.9	-73.2	169.1	0	0	0	112	I209 D241 K242 E243 F249 F287 L289 I384	I209-L245 HydrophobicContact CD1-CB 3.67Å; I209-L245 HydrophobicContact CG2-CD1 4.38Å; D241-L245 VanDerWaalsContact O-CG 3.31Å; D241-L245 WeakPolarHBondContact O-CG 3.39Å; D241-L245 PolarHBondContact O-N 3.41Å; K242-L245 PolarHBondContact O-N 2.9Å; E243-L245 PolarHBondContact O-N 3.38Å; L245-F249 HydrophobicContact CD2-CD2 4.35Å; L245-F249 HydrophobicContact CD2-CE2 4.14Å; L245-F249 WeakPolarHBondContact O-CB 3.41Å; L245-F249 WeakPolarHBondContact O-CD2 3.3Å; L245-F249 PolarHBondContact O-N 2.88Å; L245-F287 HydrophobicContact CD1-CB 4.12Å; L245-F287 HydrophobicContact CD1-CD1 3.7Å; L245-F287 HydrophobicContact CD1-CD2 4.42Å; L245-F287 HydrophobicContact CD1-CE1 4.23Å; L245-F287 HydrophobicContact CD1-CG 3.82Å; L245-F287 HydrophobicContact CD2-CD1 3.78Å; L245-F287 HydrophobicContact CD2-CE1 3.39Å; L245-F287 HydrophobicContact CD2-CE2 4.24Å; L245-F287 HydrophobicContact CD2-CG 4.36Å; L245-F287 HydrophobicContact CD2-CZ 3.68Å; L245-F287 HydrophobicContact CG-CD1 4.4Å; L245-F287 HydrophobicContact CG-CE1 4.45Å; L245-L289 HydrophobicContact CD1-CD1 4.24Å; L245-L289 HydrophobicContact CD1-CD2 4.26Å; L245-I384 HydrophobicContact CD1-CD1 4.46Å; L245-I384 HydrophobicContact CD1-CG2 4Å; L245-I384 HydrophobicContact CD2-CG2 4.04Å; L245-I384 HydrophobicContact CG-CG2 3.76Å
246	I	98.7	Very high	96.5	Very high	45 Å²	45	34.8 Å²	34.8	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-53.6	175.4	-68.3	166.8	0	0	0	110	I209 K242 E243 V248 S250 V256 A258	I209-I246 HydrophobicContact CD1-CG1 3.76Å; K242-I246 HydrophobicContact CG-CD1 3.94Å; K242-I246 WeakPolarHBondContact O-CG1 3.47Å; K242-I246 PolarHBondContact O-N 2.88Å; E243-I246 PolarHBondContact O-N 3.24Å; I246-V248 PolarHBondContact O-N 2.9Å; I246-S250 WeakPolarHBondContact O-CB 3.31Å; I246-S250 PolarHBondContact O-N 3.42Å; I246-S250 PolarHBondContact O-OG 3.1Å; I246-V256 HydrophobicContact CB-CG1 4.41Å; I246-V256 HydrophobicContact CG1-CG1 3.87Å; I246-A258 HydrophobicContact CD1-CB 4Å; I246-A258 HydrophobicContact CG1-CB 4.45Å
247	E	97.9	Very high	96.9	Very high	105 Å²	105	32.7 Å²	32.7	49%	0.491	18%	0.179	S	C	.	.	H	α-helix	trans	-53.7	-52.7	180	-173.3	-161	162.5	0	0	112.1	E243 R244 S251	E243-E247 PolarHBondContact O-N 2.94Å; R244-E247 IonicContact CZ-OE2 2.76Å; R244-E247 IonicContact NH1-OE1 3.31Å; R244-E247 PolarHBondContact NH1-OE1 3.19Å; R244-E247 VanDerWaalsContact NH1-OE1 3.16Å; R244-E247 IonicContact NH1-OE2 3.42Å; R244-E247 PolarHBondContact NH1-OE2 3.32Å; R244-E247 PolarHBondContact O-N 3.48Å; E247-S251 WeakPolarHBondContact O-CB 3.28Å; E247-S251 PolarHBondContact O-N 3.44Å; E247-S251 VanDerWaalsContact O-N 3.12Å
248	V	97.4	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-49.5	-175.3	172.9	0	0	0	0	111.5	R244 I246 S251 M252 C388 I391 D392	R244-V248 WeakPolarHBondContact O-CG2 3.39Å; R244-V248 PolarHBondContact O-N 2.91Å; R244-V248 VanDerWaalsContact O-N 3.08Å; I246-V248 PolarHBondContact O-N 2.9Å; V248-S251 PolarHBondContact O-N 3.26Å; V248-S251 PolarHBondContact O-OG 3.22Å; V248-M252 HydrophobicContact CG1-CE 4.09Å; V248-M252 PolarHBondContact O-N 2.85Å; V248-C388 HydrophobicContact CG2-CB 3.89Å; V248-I391 HydrophobicContact CG1-CB 4.18Å; V248-I391 HydrophobicContact CG1-CG2 3.58Å; V248-D392 WeakPolarHBondContact CG2-OD1 3.27Å
249	F	97.6	Very high	97.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-72.7	-34.8	-176.3	-80.9	-97	0	0	0	112.7	A207 L245 S251 M252 G253 Y254 V256 V285 F287 I391 F436	A207-F249 HydrophobicContact CB-CB 3.97Å; A207-F249 HydrophobicContact CB-CD1 3.91Å; A207-F249 HydrophobicContact CB-CG 4.08Å; L245-F249 HydrophobicContact CD2-CD2 4.35Å; L245-F249 HydrophobicContact CD2-CE2 4.14Å; L245-F249 WeakPolarHBondContact O-CB 3.41Å; L245-F249 WeakPolarHBondContact O-CD2 3.3Å; L245-F249 PolarHBondContact O-N 2.88Å; F249-S251 VanDerWaalsContact C-N 3.32Å; F249-S251 PolarHBondContact O-N 3.47Å; F249-M252 HydrophobicContact CB-CE 4.46Å; F249-M252 HydrophobicContact CD1-CE 3.64Å; F249-M252 HydrophobicContact CD2-CE 4.13Å; F249-M252 HydrophobicContact CE1-CE 3.68Å; F249-M252 HydrophobicContact CE2-CE 4.17Å; F249-M252 HydrophobicContact CG-CE 3.86Å; F249-M252 HydrophobicContact CZ-CE 3.93Å; F249-M252 PolarHBondContact O-N 3.24Å; F249-G253 PolarHBondContact O-N 3.01Å; F249-Y254 HydrophobicContact CB-CD2 4.4Å; F249-Y254 HydrophobicContact CB-CG 4.39Å; F249-Y254 HydrophobicContact CD1-CD1 4.27Å; F249-Y254 AromaticContact CD1-CD2 3.63Å; F249-Y254 HydrophobicContact CD1-CD2 3.63Å; F249-Y254 HydrophobicContact CD1-CE1 4.49Å; F249-Y254 AromaticContact CD1-CE2 3.86Å; F249-Y254 HydrophobicContact CD1-CE2 3.86Å; F249-Y254 AromaticContact CD1-CG 3.86Å; F249-Y254 HydrophobicContact CD1-CG 3.86Å; F249-Y254 HydrophobicContact CE1-CD2 4.4Å; F249-Y254 HydrophobicContact CE1-CE2 4.17Å; F249-Y254 HydrophobicContact CG-CD2 4.48Å; F249-Y254 WeakPolarHBondContact O-CB 3.39Å; F249-Y254 PolarHBondContact O-N 2.73Å; F249-Y254 VanDerWaalsContact O-N 3.13Å; F249-V256 HydrophobicContact CB-CG2 3.82Å; F249-V285 HydrophobicContact CE1-CB 4.42Å; F249-V285 HydrophobicContact CE1-CG1 4.22Å; F249-V285 HydrophobicContact CE1-CG2 4.12Å; F249-V285 HydrophobicContact CZ-CG1 4.46Å; F249-F287 HydrophobicContact CD2-CE2 4.19Å; F249-F287 HydrophobicContact CD2-CZ 4.06Å; F249-F287 HydrophobicContact CE1-CE2 4.31Å; F249-F287 HydrophobicContact CE1-CZ 4.15Å; F249-F287 HydrophobicContact CE2-CE1 4.35Å; F249-F287 AromaticContact CE2-CE2 3.95Å; F249-F287 HydrophobicContact CE2-CE2 3.95Å; F249-F287 AromaticContact CE2-CZ 3.39Å; F249-F287 HydrophobicContact CE2-CZ 3.39Å; F249-F287 HydrophobicContact CG-CE2 4.49Å; F249-F287 HydrophobicContact CZ-CE2 4.03Å; F249-F287 AromaticContact CZ-CZ 3.46Å; F249-F287 HydrophobicContact CZ-CZ 3.46Å; F249-F287 VanDerWaalsContact CZ-CZ 3.46Å; F249-I391 HydrophobicContact CE2-CD1 4.01Å; F249-I391 HydrophobicContact CZ-CD1 3.96Å; F249-F436 HydrophobicContact CE1-CE1 4.21Å; F249-F436 HydrophobicContact CE1-CZ 4.02Å; F249-F436 HydrophobicContact CZ-CE2 4.35Å; F249-F436 HydrophobicContact CZ-CZ 4.13Å
250	S	97.1	Very high	97.5	Very high	56 Å²	56	39 Å²	39	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-40.4	171.5	-68.9	0	0	0	0	111.8	I246 M252 G253 V256	I246-S250 WeakPolarHBondContact O-CB 3.31Å; I246-S250 PolarHBondContact O-N 3.42Å; I246-S250 PolarHBondContact O-OG 3.1Å; S250-M252 PolarHBondContact O-N 3.08Å; S250-G253 PolarHBondContact O-N 3.41Å; S250-V256 WeakPolarHBondContact OG-CG2 3.21Å
251	S	95.8	Very high	97.6	Very high	21 Å²	21	38.5 Å²	38.5	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-28.1	177.3	75.4	0	0	0	0	113.2	R201 E247 V248 F249 G253 R439 L440	R201-S251 PolarHBondContact NH2-O 3.02Å; E247-S251 WeakPolarHBondContact O-CB 3.28Å; E247-S251 PolarHBondContact O-N 3.44Å; E247-S251 VanDerWaalsContact O-N 3.12Å; V248-S251 PolarHBondContact O-N 3.26Å; V248-S251 PolarHBondContact O-OG 3.22Å; F249-S251 VanDerWaalsContact C-N 3.32Å; F249-S251 PolarHBondContact O-N 3.47Å; S251-G253 VanDerWaalsContact C-N 3.33Å; S251-R439 PolarHBondContact OG-NE 2.77Å; S251-L440 PolarHBondContact O-N 3.27Å
252	M	94.9	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.5	176.5	-64.1	-173.6	-61.3	0	0	113.8	V248 F249 S250 Y254 I391 F436 P437 R439	V248-M252 HydrophobicContact CG1-CE 4.09Å; V248-M252 PolarHBondContact O-N 2.85Å; F249-M252 HydrophobicContact CB-CE 4.46Å; F249-M252 HydrophobicContact CD1-CE 3.64Å; F249-M252 HydrophobicContact CD2-CE 4.13Å; F249-M252 HydrophobicContact CE1-CE 3.68Å; F249-M252 HydrophobicContact CE2-CE 4.17Å; F249-M252 HydrophobicContact CG-CE 3.86Å; F249-M252 HydrophobicContact CZ-CE 3.93Å; F249-M252 PolarHBondContact O-N 3.24Å; S250-M252 PolarHBondContact O-N 3.08Å; M252-Y254 HydrophobicContact CB-CD2 4Å; M252-Y254 HydrophobicContact CB-CE2 4.3Å; M252-Y254 HydrophobicContact CE-CD2 4.4Å; M252-Y254 HydrophobicContact CE-CE2 4.27Å; M252-I391 HydrophobicContact CE-CG2 3.85Å; M252-I391 HydrophobicContact SD-CG2 3.63Å; M252-F436 HydrophobicContact CE-CD2 4.47Å; M252-F436 HydrophobicContact CE-CG 4.41Å; M252-F436 HydrophobicContact SD-CB 3.77Å; M252-F436 HydrophobicContact SD-CD2 4.37Å; M252-F436 HydrophobicContact SD-CG 4.13Å; M252-P437 HydrophobicContact CB-CB 4.47Å; M252-P437 WeakPolarHBondContact O-CB 3.35Å; M252-P437 WeakPolarHBondContact O-CG 3.43Å; M252-R439 HydrophobicContact CG-CG 3.64Å
253	G	95	Very high	97.7	Very high	28 Å²	28	41.8 Å²	41.8	29%	0.289	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	10.2	178.6	0	0	0	0	0	115.1	F249 S250 S251	F249-G253 PolarHBondContact O-N 3.01Å; S250-G253 PolarHBondContact O-N 3.41Å; S251-G253 VanDerWaalsContact C-N 3.33Å
254	Y	97.2	Very high	97.7	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	20%	0.204	C	C	.	.			trans	-69.7	142.6	173	-78.4	-97	0	0	0	111.5	L199 A204 A207 F249 M252 V256 S283 V285 F436	L199-Y254 WeakPolarHBondContact CD1-OH 3.47Å; A204-Y254 HydrophobicContact CB-CD1 4.33Å; A204-Y254 HydrophobicContact CB-CD2 3.79Å; A204-Y254 HydrophobicContact CB-CE1 4.35Å; A204-Y254 HydrophobicContact CB-CE2 3.84Å; A204-Y254 HydrophobicContact CB-CG 4.05Å; A204-Y254 WeakPolarHBondContact O-CE1 3.49Å; A207-Y254 HydrophobicContact CB-CD1 4.02Å; A207-Y254 HydrophobicContact CB-CG 4.21Å; F249-Y254 HydrophobicContact CB-CD2 4.4Å; F249-Y254 HydrophobicContact CB-CG 4.39Å; F249-Y254 HydrophobicContact CD1-CD1 4.27Å; F249-Y254 AromaticContact CD1-CD2 3.63Å; F249-Y254 HydrophobicContact CD1-CD2 3.63Å; F249-Y254 HydrophobicContact CD1-CE1 4.49Å; F249-Y254 AromaticContact CD1-CE2 3.86Å; F249-Y254 HydrophobicContact CD1-CE2 3.86Å; F249-Y254 AromaticContact CD1-CG 3.86Å; F249-Y254 HydrophobicContact CD1-CG 3.86Å; F249-Y254 HydrophobicContact CE1-CD2 4.4Å; F249-Y254 HydrophobicContact CE1-CE2 4.17Å; F249-Y254 HydrophobicContact CG-CD2 4.48Å; F249-Y254 WeakPolarHBondContact O-CB 3.39Å; F249-Y254 PolarHBondContact O-N 2.73Å; F249-Y254 VanDerWaalsContact O-N 3.13Å; M252-Y254 HydrophobicContact CB-CD2 4Å; M252-Y254 HydrophobicContact CB-CE2 4.3Å; M252-Y254 HydrophobicContact CE-CD2 4.4Å; M252-Y254 HydrophobicContact CE-CE2 4.27Å; Y254-V256 PolarHBondContact O-N 3.46Å; Y254-S283 VanDerWaalsContact CE1-OG 3.32Å; Y254-S283 WeakPolarHBondContact CE1-OG 3.36Å; Y254-S283 PolarHBondContact OH-OG 2.8Å; Y254-V285 HydrophobicContact CE1-CG2 3.83Å; Y254-F436 HydrophobicContact CE2-CD1 4.1Å; Y254-F436 HydrophobicContact CE2-CE1 4.36Å; Y254-F436 VanDerWaalsContact OH-CD1 3.28Å; Y254-F436 WeakPolarHBondContact OH-CD1 3.15Å; Y254-F436 WeakPolarHBondContact OH-CE1 3.42Å
255	N	96.7	Very high	97.6	Very high	70 Å²	70	39.1 Å²	39.1	37%	0.374	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	100.1	160.7	178	38.2	0	0	0	108.5	G205 I206 A207 E257	G205-N255 PolarHBondContact O-N 2.9Å; I206-N255 WeakPolarHBondContact CA-O 3.4Å; A207-N255 PolarHBondContact N-O 2.87Å; N255-E257 PolarHBondContact ND2-OE1 3.05Å
256	V	98.4	Very high	97.6	Very high	30 Å²	30	39.6 Å²	39.6	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.8	-177.4	-171	0	0	0	0	110.4	A207 I209 I246 F249 S250 Y254	A207-V256 HydrophobicContact CB-CG1 4.44Å; A207-V256 HydrophobicContact CB-CG2 4.19Å; A207-V256 WeakPolarHBondContact O-CA 3.41Å; I209-V256 HydrophobicContact CD1-CG1 3.6Å; I209-V256 HydrophobicContact CG1-CG1 4.26Å; I246-V256 HydrophobicContact CB-CG1 4.41Å; I246-V256 HydrophobicContact CG1-CG1 3.87Å; F249-V256 HydrophobicContact CB-CG2 3.82Å; S250-V256 WeakPolarHBondContact OG-CG2 3.21Å; Y254-V256 PolarHBondContact O-N 3.46Å
257	E	98.4	Very high	97.6	Very high	25 Å²	25	37.6 Å²	37.6	12%	0.117	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.8	179	-66.3	172.3	-162.4	0	0	108.8	A207 L208 I209 N255 Y259 R277	A207-E257 PolarHBondContact O-N 2.9Å; L208-E257 CarbonylContact C-O 3.33Å; L208-E257 WeakPolarHBondContact CA-O 3.43Å; L208-E257 HydrophobicContact CD1-CB 4.13Å; I209-E257 PolarHBondContact N-O 3.01Å; N255-E257 PolarHBondContact ND2-OE1 3.05Å; E257-Y259 HydrophobicContact CB-CE2 3.9Å; E257-R277 IonicContact OE1-CZ 3.73Å; E257-R277 IonicContact OE1-NH1 3.4Å; E257-R277 PolarHBondContact OE1-NH1 3.01Å; E257-R277 IonicContact OE1-NH2 2.7Å; E257-R277 PolarHBondContact OE1-NH2 3.38Å; E257-R277 VanDerWaalsContact OE1-NH2 3.17Å; E257-R277 IonicContact OE2-CZ 3.71Å; E257-R277 IonicContact OE2-NH1 3.45Å; E257-R277 IonicContact OE2-NH2 3.68Å; E257-R277 PolarHBondContact OE2-NH2 3.11Å
258	A	98.6	Very high	97.6	Very high	39 Å²	39	32.9 Å²	32.9	32%	0.322	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.7	-178	0	0	0	0	0	111.7	I209 K242 I246	I209-A258 HydrophobicContact CB-CB 4.14Å; I209-A258 CarbonylContact O-C 3.55Å; I209-A258 WeakPolarHBondContact O-CA 3.38Å; K242-A258 HydrophobicContact CD-CB 4.14Å; K242-A258 HydrophobicContact CG-CB 4.29Å; I246-A258 HydrophobicContact CD1-CB 4Å; I246-A258 HydrophobicContact CG1-CB 4.45Å
259	Y	98.8	Very high	97.7	Very high	73 Å²	73	38.1 Å²	38.1	29%	0.286	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.2	-179.9	-58.9	-83.9	0	0	0	111.4	L208 I209 I210 N211 E257 V262 R270	L208-Y259 HydrophobicContact CD1-CD2 3.63Å; L208-Y259 HydrophobicContact CD1-CE2 3.49Å; L208-Y259 VanDerWaalsContact CD1-CE2 3.49Å; I209-Y259 PolarHBondContact O-N 3.34Å; I210-Y259 HydrophobicContact CD1-CD2 4.25Å; N211-Y259 PolarHBondContact N-O 2.94Å; E257-Y259 HydrophobicContact CB-CE2 3.9Å; Y259-V262 VanDerWaalsContact CB-CG2 3.45Å; Y259-R270 HydrophobicContact CD2-CG 4.18Å; Y259-R270 HydrophobicContact CE2-CB 4.46Å; Y259-R270 HydrophobicContact CE2-CG 4.11Å; Y259-R270 HydrophobicContact CG-CG 4.46Å
260	D	98.7	Very high	97.7	Very high	78 Å²	78	41.6 Å²	41.6	42%	0.417	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.3	-179.1	-66.5	-45.5	0	0	0	111.9	N211 K242 V262	N211-D260 WeakPolarHBondContact CB-OD1 3.38Å; N211-D260 PolarHBondContact ND2-OD1 3.16Å; N211-D260 CarbonylContact O-C 3.45Å; N211-D260 VanDerWaalsContact O-CA 3.3Å; N211-D260 WeakPolarHBondContact O-CA 3.41Å; K242-D260 IonicContact NZ-OD1 3.68Å; K242-D260 PolarHBondContact NZ-OD1 2.97Å; K242-D260 IonicContact NZ-OD2 3.72Å; K242-D260 PolarHBondContact NZ-OD2 3.08Å; D260-V262 VanDerWaalsContact C-N 3.33Å; D260-V262 PolarHBondContact O-N 3.42Å
261	N	98.4	Very high	97.7	Very high	51 Å²	51	39 Å²	39	27%	0.273	21%	0.209	S	C	.	.	S	Bend	trans	55.4	42.2	167.6	-49.2	-53.3	0	0	0	114.3	N211 Q213 K214 S300	N211-N261 PolarHBondContact O-N 3.4Å; Q213-N261 WeakPolarHBondContact CA-OD1 3.33Å; Q213-N261 PolarHBondContact N-OD1 2.64Å; K214-N261 PolarHBondContact N-OD1 2.8Å; K214-N261 PolarHBondContact O-OD1 2.81Å; N261-S300 VanDerWaalsContact C-OG 3.29Å; N261-S300 WeakPolarHBondContact O-CB 3.49Å; N261-S300 PolarHBondContact O-OG 2.7Å
262	V	98.4	Very high	97.7	Very high	23 Å²	23	41.9 Å²	41.9	14%	0.139	22%	0.216	C	C	.	.			trans	-80.6	138.3	-178.1	-162.6	0	0	0	0	111.2	Q212 Y259 D260 G266 I267 S300	Q212-V262 PolarHBondContact NE2-O 2.85Å; Q212-V262 PolarHBondContact OE1-O 2.96Å; Y259-V262 VanDerWaalsContact CB-CG2 3.45Å; D260-V262 VanDerWaalsContact C-N 3.33Å; D260-V262 PolarHBondContact O-N 3.42Å; V262-G266 VanDerWaalsContact CG1-C 3.42Å; V262-I267 HydrophobicContact CB-CG1 4.15Å; V262-I267 HydrophobicContact CG1-CG1 4.35Å; V262-S300 WeakPolarHBondContact O-CB 3.46Å; V262-S300 PolarHBondContact O-N 2.75Å; V262-S300 PolarHBondContact O-OG 2.77Å; V262-S300 VanDerWaalsContact O-OG 3.1Å
263	D	98.4	Very high	97.7	Very high	67 Å²	67	44 Å²	44	36%	0.358	23%	0.231	S	C	.	.			trans	-73.2	170.2	174.4	77.6	19.2	0	0	0	112.2	M265 G266 I267 S300 N301	D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 2.85Å; D263-M265 PolarHBondContact OD1-N 2.76Å; D263-G266 PolarHBondContact O-N 3.23Å; D263-G266 PolarHBondContact OD1-N 2.66Å; D263-I267 WeakPolarHBondContact O-CG1 3.47Å; D263-I267 PolarHBondContact O-N 2.93Å; D263-S300 PolarHBondContact N-OG 2.9Å; D263-N301 HydrophobicContact CB-CB 4.03Å
264	H	97.9	Very high	97.6	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-55	-38.1	-176.8	65.4	-46.1	0	0	0	114.7	I268 A299 N301 I303 M305 F346	H264-I268 WeakPolarHBondContact O-CD1 3.45Å; H264-I268 VanDerWaalsContact O-CG1 3.3Å; H264-I268 WeakPolarHBondContact O-CG1 3.4Å; H264-I268 PolarHBondContact O-N 3.28Å; H264-A299 HydrophobicContact CB-CB 3.87Å; H264-N301 PolarHBondContact CE1-ND2 2.92Å; H264-N301 VanDerWaalsContact CE1-ND2 3.31Å; H264-N301 PolarHBondContact N-OD1 2.78Å; H264-N301 PolarHBondContact ND1-ND2 3.4Å; H264-I303 HydrophobicContact CB-CB 4.21Å; H264-I303 HydrophobicContact CB-CG2 3.98Å; H264-M305 HydrophobicContact CB-CG 4.16Å; H264-M305 HydrophobicContact CB-SD 3.69Å; H264-F346 AromaticContact CD2-CD2 3.81Å; H264-F346 AromaticContact CD2-CE2 3.71Å; H264-F346 AromaticContact CD2-CZ 3.89Å; H264-F346 AromaticContact NE2-CE2 3.98Å
265	M	97.8	Very high	97.3	Very high	92 Å²	92	42.1 Å²	42.1	45%	0.453	22%	0.215	S	C	.	.	H	α-helix	trans	-76.5	-38.8	-179.7	-71.9	-57	-63.4	0	0	110.9	D263 I267 I268 E269 F346	D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 2.85Å; D263-M265 PolarHBondContact OD1-N 2.76Å; M265-I267 VanDerWaalsContact C-N 3.32Å; M265-I267 PolarHBondContact O-N 3.44Å; M265-I268 PolarHBondContact O-N 2.97Å; M265-I268 HydrophobicContact SD-CD1 4.02Å; M265-E269 WeakPolarHBondContact O-CB 3.48Å; M265-E269 PolarHBondContact O-N 3.01Å; M265-F346 HydrophobicContact SD-CZ 3.98Å
266	G	98.2	Very high	96.7	Very high	10 Å²	10	43.3 Å²	43.3	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-37.9	173.8	0	0	0	0	0	112.1	V262 D263 I268 E269 R270	V262-G266 VanDerWaalsContact CG1-C 3.42Å; D263-G266 PolarHBondContact O-N 3.23Å; D263-G266 PolarHBondContact OD1-N 2.66Å; G266-I268 VanDerWaalsContact C-N 3.34Å; G266-I268 PolarHBondContact O-N 3.14Å; G266-E269 PolarHBondContact O-N 3.34Å; G266-R270 VanDerWaalsContact O-CG 3.23Å; G266-R270 WeakPolarHBondContact O-CG 3.49Å; G266-R270 PolarHBondContact O-N 3.38Å
267	I	98.6	Very high	96.1	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-49.4	172.6	-67	174.4	0	0	0	110.3	I210 V262 D263 M265 E269 R270 I271 A299 M305	I210-I267 HydrophobicContact CG2-CD1 3.99Å; I210-I267 HydrophobicContact CG2-CG1 3.85Å; V262-I267 HydrophobicContact CB-CG1 4.15Å; V262-I267 HydrophobicContact CG1-CG1 4.35Å; D263-I267 WeakPolarHBondContact O-CG1 3.47Å; D263-I267 PolarHBondContact O-N 2.93Å; M265-I267 VanDerWaalsContact C-N 3.32Å; M265-I267 PolarHBondContact O-N 3.44Å; I267-E269 PolarHBondContact O-N 3Å; I267-R270 PolarHBondContact O-N 3.07Å; I267-I271 HydrophobicContact CG2-CD1 3.86Å; I267-I271 WeakPolarHBondContact O-CG1 3.38Å; I267-I271 PolarHBondContact O-N 3.01Å; I267-A299 HydrophobicContact CD1-CB 3.67Å; I267-M305 HydrophobicContact CB-CE 4.42Å; I267-M305 HydrophobicContact CB-SD 4.46Å; I267-M305 HydrophobicContact CD1-SD 4.04Å; I267-M305 HydrophobicContact CG2-CE 4.18Å
268	I	98.3	Very high	95.3	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-48.7	179.6	-64.3	162.6	0	0	0	110.2	H264 M265 G266 R270 I271 R272 M305 L313 F346 I348	H264-I268 WeakPolarHBondContact O-CD1 3.45Å; H264-I268 VanDerWaalsContact O-CG1 3.3Å; H264-I268 WeakPolarHBondContact O-CG1 3.4Å; H264-I268 PolarHBondContact O-N 3.28Å; M265-I268 PolarHBondContact O-N 2.97Å; M265-I268 HydrophobicContact SD-CD1 4.02Å; G266-I268 VanDerWaalsContact C-N 3.34Å; G266-I268 PolarHBondContact O-N 3.14Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 3.46Å; I268-I271 PolarHBondContact O-N 2.8Å; I268-R272 HydrophobicContact CG2-CG 4.24Å; I268-R272 VanDerWaalsContact CG2-CZ 3.46Å; I268-R272 WeakPolarHBondContact O-CB 3.23Å; I268-R272 VanDerWaalsContact O-CG 3.28Å; I268-R272 WeakPolarHBondContact O-CG 3.48Å; I268-R272 PolarHBondContact O-N 3.11Å; I268-M305 HydrophobicContact CD1-CE 4.12Å; I268-M305 HydrophobicContact CG1-CE 3.76Å; I268-L313 HydrophobicContact CG2-CD2 4.17Å; I268-F346 HydrophobicContact CD1-CE1 3.69Å; I268-F346 HydrophobicContact CD1-CZ 4.45Å; I268-I348 HydrophobicContact CD1-CD1 4.47Å; I268-I348 HydrophobicContact CD1-CG1 3.84Å; I268-I348 HydrophobicContact CD1-CG2 4.38Å; I268-I348 HydrophobicContact CG1-CD1 4.09Å; I268-I348 HydrophobicContact CG1-CG1 3.99Å; I268-I348 HydrophobicContact CG1-CG2 4.45Å; I268-I348 HydrophobicContact CG2-CG2 4.35Å
269	E	97.8	Very high	94.2	Very high	110 Å²	110	47.1 Å²	47.1	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-43.1	-179.4	-169.7	-165.7	138.8	0	0	112.3	M265 G266 I267 R272 S273	M265-E269 WeakPolarHBondContact O-CB 3.48Å; M265-E269 PolarHBondContact O-N 3.01Å; G266-E269 PolarHBondContact O-N 3.34Å; I267-E269 PolarHBondContact O-N 3Å; E269-R272 PolarHBondContact O-N 3.18Å; E269-S273 WeakPolarHBondContact O-CB 3.47Å; E269-S273 PolarHBondContact O-N 2.92Å
270	R	98.3	Very high	93	Very high	75 Å²	75	48 Å²	48	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-67.6	-41	178.9	-64.4	-60.8	174.7	-111.8	-6.8	112.2	L208 I210 Y259 G266 I267 I268 S273 A274	L208-R270 HydrophobicContact CD1-CB 4.31Å; L208-R270 HydrophobicContact CD2-CB 4.24Å; I210-R270 HydrophobicContact CD1-CB 4.49Å; Y259-R270 HydrophobicContact CD2-CG 4.18Å; Y259-R270 HydrophobicContact CE2-CB 4.46Å; Y259-R270 HydrophobicContact CE2-CG 4.11Å; Y259-R270 HydrophobicContact CG-CG 4.46Å; G266-R270 VanDerWaalsContact O-CG 3.23Å; G266-R270 WeakPolarHBondContact O-CG 3.49Å; G266-R270 PolarHBondContact O-N 3.38Å; I267-R270 PolarHBondContact O-N 3.07Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 3.46Å; R270-S273 PolarHBondContact O-N 2.96Å; R270-A274 WeakPolarHBondContact O-CB 3.35Å; R270-A274 PolarHBondContact O-N 3.3Å
271	I	98.1	Very high	92.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-48	175.1	-66.2	173.6	0	0	0	110.2	L208 I267 I268 S273 A274 C275 V286 I310 L313 L314	L208-I271 HydrophobicContact CD2-CB 4.49Å; L208-I271 HydrophobicContact CD2-CG1 3.81Å; I267-I271 HydrophobicContact CG2-CD1 3.86Å; I267-I271 WeakPolarHBondContact O-CG1 3.38Å; I267-I271 PolarHBondContact O-N 3.01Å; I268-I271 PolarHBondContact O-N 2.8Å; I271-S273 VanDerWaalsContact C-N 3.34Å; I271-S273 PolarHBondContact O-N 3.2Å; I271-A274 PolarHBondContact O-N 2.89Å; I271-A274 VanDerWaalsContact O-N 3.14Å; I271-C275 PolarHBondContact O-N 3.17Å; I271-C275 PolarHBondContact O-SG 2.92Å; I271-V286 HydrophobicContact CD1-CG1 4.33Å; I271-V286 HydrophobicContact CG1-CG1 4.36Å; I271-I310 HydrophobicContact CD1-CG2 3.78Å; I271-L313 HydrophobicContact CB-CD2 3.96Å; I271-L313 HydrophobicContact CG2-CD2 3.65Å; I271-L313 HydrophobicContact CG2-CG 3.98Å; I271-L314 HydrophobicContact CG2-CD2 3.77Å; I271-L314 HydrophobicContact CG2-CG 4.37Å
272	R	95.1	Very high	91.6	Very high	82 Å²	82	47.9 Å²	47.9	31%	0.309	24%	0.235	S	C	.	.	H	α-helix	trans	-56.1	-48.3	176.8	-70.8	-171	172.3	143.9	-3.7	111.9	I268 E269 A274 C275 D276 L313 Y317	I268-R272 HydrophobicContact CG2-CG 4.24Å; I268-R272 VanDerWaalsContact CG2-CZ 3.46Å; I268-R272 WeakPolarHBondContact O-CB 3.23Å; I268-R272 VanDerWaalsContact O-CG 3.28Å; I268-R272 WeakPolarHBondContact O-CG 3.48Å; I268-R272 PolarHBondContact O-N 3.11Å; E269-R272 PolarHBondContact O-N 3.18Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 3.46Å; R272-C275 WeakPolarHBondContact O-CB 3.23Å; R272-C275 PolarHBondContact O-N 3.38Å; R272-D276 PolarHBondContact O-N 3.41Å; R272-L313 HydrophobicContact CG-CD1 3.97Å; R272-L313 HydrophobicContact CG-CD2 4.3Å; R272-Y317 WeakPolarHBondContact CB-OH 3.45Å; R272-Y317 WeakPolarHBondContact CG-OH 3.49Å
273	S	94.1	Very high	91.4	Very high	43 Å²	43	46.8 Å²	46.8	30%	0.301	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-40.4	177.3	-178.9	0	0	0	0	112.7	E269 R270 I271 R277	E269-S273 WeakPolarHBondContact O-CB 3.47Å; E269-S273 PolarHBondContact O-N 2.92Å; R270-S273 PolarHBondContact O-N 2.96Å; I271-S273 VanDerWaalsContact C-N 3.34Å; I271-S273 PolarHBondContact O-N 3.2Å; S273-R277 WeakPolarHBondContact O-CG 3.18Å; S273-R277 PolarHBondContact O-N 3.06Å; S273-R277 VanDerWaalsContact O-N 3.16Å; S273-R277 PolarHBondContact O-NE 3.04Å; S273-R277 PolarHBondContact OG-NE 3.18Å
274	A	93.6	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-42	176.4	0	0	0	0	0	111.5	I206 L208 R270 I271 R272 R277 S278 L284	I206-A274 HydrophobicContact CD1-CB 4.38Å; I206-A274 HydrophobicContact CG2-CB 4.27Å; L208-A274 HydrophobicContact CD2-CB 4.23Å; R270-A274 WeakPolarHBondContact O-CB 3.35Å; R270-A274 PolarHBondContact O-N 3.3Å; I271-A274 PolarHBondContact O-N 2.89Å; I271-A274 VanDerWaalsContact O-N 3.14Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 3.46Å; A274-R277 PolarHBondContact O-N 2.93Å; A274-S278 WeakPolarHBondContact O-CB 3.26Å; A274-S278 PolarHBondContact O-N 3.3Å; A274-S278 PolarHBondContact O-OG 3.24Å; A274-L284 HydrophobicContact CB-CD1 3.92Å; A274-L284 HydrophobicContact CB-CD2 4.46Å
275	C	90.2	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-45.9	174.7	-64.8	0	0	0	0	112.1	I271 R272 R277 S278 Y317 T319 L320	I271-C275 PolarHBondContact O-N 3.17Å; I271-C275 PolarHBondContact O-SG 2.92Å; R272-C275 WeakPolarHBondContact O-CB 3.23Å; R272-C275 PolarHBondContact O-N 3.38Å; C275-R277 VanDerWaalsContact C-N 3.31Å; C275-R277 PolarHBondContact O-N 2.95Å; C275-S278 WeakPolarHBondContact O-CB 3.21Å; C275-S278 PolarHBondContact O-N 3.41Å; C275-Y317 HydrophobicContact CB-CD1 3.65Å; C275-Y317 HydrophobicContact CB-CD2 3.56Å; C275-Y317 HydrophobicContact CB-CE1 3.94Å; C275-Y317 HydrophobicContact CB-CE2 3.85Å; C275-Y317 HydrophobicContact CB-CG 3.46Å; C275-Y317 VanDerWaalsContact CB-CG 3.46Å; C275-T319 PolarHBondContact O-OG1 2.89Å; C275-L320 HydrophobicContact CB-CD1 3.96Å
276	D	84.9	Confident	91.4	Very high	95 Å²	95	38.9 Å²	38.9	51%	0.508	19%	0.188	S	C	.	.	H	α-helix	trans	-61	-39.5	179.1	-72.8	-34.7	0	0	0	112.3	R272 S278 Y317	R272-D276 PolarHBondContact O-N 3.41Å; D276-S278 VanDerWaalsContact C-N 3.28Å; D276-S278 PolarHBondContact O-N 3.47Å; D276-Y317 VanDerWaalsContact OD1-CE1 3.23Å; D276-Y317 WeakPolarHBondContact OD1-CE1 3Å
277	R	84.8	Confident	91.5	Very high	93 Å²	93	38.4 Å²	38.4	35%	0.351	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2	-179.3	-67.4	178.4	-65.2	110.9	-5.2	114.1	I206 E257 S273 A274 C275 L279	I206-R277 HydrophobicContact CD1-CB 4.02Å; E257-R277 IonicContact OE1-CZ 3.73Å; E257-R277 IonicContact OE1-NH1 3.4Å; E257-R277 PolarHBondContact OE1-NH1 3.01Å; E257-R277 IonicContact OE1-NH2 2.7Å; E257-R277 PolarHBondContact OE1-NH2 3.38Å; E257-R277 VanDerWaalsContact OE1-NH2 3.17Å; E257-R277 IonicContact OE2-CZ 3.71Å; E257-R277 IonicContact OE2-NH1 3.45Å; E257-R277 IonicContact OE2-NH2 3.68Å; E257-R277 PolarHBondContact OE2-NH2 3.11Å; S273-R277 WeakPolarHBondContact O-CG 3.18Å; S273-R277 PolarHBondContact O-N 3.06Å; S273-R277 VanDerWaalsContact O-N 3.16Å; S273-R277 PolarHBondContact O-NE 3.04Å; S273-R277 PolarHBondContact OG-NE 3.18Å; A274-R277 PolarHBondContact O-N 2.93Å; C275-R277 VanDerWaalsContact C-N 3.31Å; C275-R277 PolarHBondContact O-N 2.95Å; R277-L279 VanDerWaalsContact C-N 3.35Å
278	S	82.6	Confident	91.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.5	-177.1	-66.5	0	0	0	0	114.2	A274 C275 D276 V280 R281 L320 K323	A274-S278 WeakPolarHBondContact O-CB 3.26Å; A274-S278 PolarHBondContact O-N 3.3Å; A274-S278 PolarHBondContact O-OG 3.24Å; C275-S278 WeakPolarHBondContact O-CB 3.21Å; C275-S278 PolarHBondContact O-N 3.41Å; D276-S278 VanDerWaalsContact C-N 3.28Å; D276-S278 PolarHBondContact O-N 3.47Å; S278-V280 VanDerWaalsContact C-N 3.29Å; S278-V280 PolarHBondContact O-N 3.3Å; S278-R281 PolarHBondContact O-N 3.19Å; S278-L320 VanDerWaalsContact CB-CD2 3.43Å; S278-K323 PolarHBondContact O-NZ 2.79Å
279	L	75.5	Confident	91.5	Very high	81 Å²	81	38 Å²	38	42%	0.424	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-41.1	-177.2	178.9	63.8	0	0	0	113.7	R277 T319 K323	R277-L279 VanDerWaalsContact C-N 3.35Å; L279-T319 HydrophobicContact CB-CG2 4.09Å; L279-T319 HydrophobicContact CD1-CG2 4.18Å; L279-K323 VanDerWaalsContact C-NZ 3.32Å; L279-K323 PolarHBondContact O-NZ 2.74Å
280	V	73.3	Confident	91.4	Very high	91 Å²	91	32.9 Å²	32.9	55%	0.552	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	8.3	-179.4	-61.8	0	0	0	0	113.5	S278	S278-V280 VanDerWaalsContact C-N 3.29Å; S278-V280 PolarHBondContact O-N 3.3Å
281	R	80.8	Confident	91.3	Very high	81 Å²	81	31.3 Å²	31.3	31%	0.306	15%	0.153	S	C	.	.	S	Bend	trans	-103.8	152.8	-178.7	-60.7	-52.6	-175.8	173.8	1.4	111	S278 K323	S278-R281 PolarHBondContact O-N 3.19Å; R281-K323 VanDerWaalsContact O-CD 3.26Å; R281-K323 WeakPolarHBondContact O-CD 3.4Å; R281-K323 WeakPolarHBondContact O-CE 3.27Å; R281-K323 PolarHBondContact O-NZ 3.34Å
282	D	86.2	Confident	91	Very high	46 Å²	46	31.9 Å²	31.9	25%	0.246	16%	0.159	C	C	.	.	S	Bend	trans	-79.1	-31.8	-177.4	-62.8	-15.6	0	0	0	111.8	L199 T200 N203 P324	L199-D282 HydrophobicContact CD2-CB 3.55Å; T200-D282 PolarHBondContact N-OD2 3.01Å; T200-D282 PolarHBondContact OG1-OD2 2.91Å; N203-D282 VanDerWaalsContact CB-CG 3.49Å; N203-D282 WeakPolarHBondContact CB-OD1 3.23Å; N203-D282 WeakPolarHBondContact CB-OD2 3.4Å; N203-D282 WeakPolarHBondContact O-CB 3.39Å; N203-D282 PolarHBondContact O-N 2.99Å; D282-P324 WeakPolarHBondContact O-CD 3.15Å
283	S	95.1	Very high	90.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	166.8	-179	72.3	0	0	0	0	114.1	A204 G205 I206 Y254 P324	A204-S283 PolarHBondContact O-N 2.96Å; A204-S283 VanDerWaalsContact O-N 3.15Å; A204-S283 PolarHBondContact O-OG 3.01Å; G205-S283 WeakPolarHBondContact CA-O 3.41Å; I206-S283 PolarHBondContact N-O 3.02Å; Y254-S283 VanDerWaalsContact CE1-OG 3.32Å; Y254-S283 WeakPolarHBondContact CE1-OG 3.36Å; Y254-S283 PolarHBondContact OH-OG 2.8Å; S283-P324 WeakPolarHBondContact CA-O 3.33Å; S283-P324 WeakPolarHBondContact CB-O 3.28Å
284	L	97.8	Very high	90.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.8	169.3	174.7	62.4	0	0	0	109.7	I206 A274 V286 L314 L320 P324 K325 L326	I206-L284 HydrophobicContact CB-CD1 3.77Å; I206-L284 HydrophobicContact CG2-CD1 4.01Å; A274-L284 HydrophobicContact CB-CD1 3.92Å; A274-L284 HydrophobicContact CB-CD2 4.46Å; L284-V286 HydrophobicContact CD1-CG2 4.32Å; L284-V286 HydrophobicContact CD2-CG2 4.45Å; L284-V286 HydrophobicContact CG-CG2 4.18Å; L284-L314 HydrophobicContact CD2-CD2 3.66Å; L284-L314 HydrophobicContact CG-CD2 4.46Å; L284-L320 HydrophobicContact CB-CD2 3.83Å; L284-L320 HydrophobicContact CD2-CD1 3.65Å; L284-L320 HydrophobicContact CD2-CD2 4.32Å; L284-P324 PolarHBondContact N-O 2.8Å; L284-K325 WeakPolarHBondContact O-CA 3.3Å; L284-L326 PolarHBondContact O-N 3.49Å
285	V	98.5	Very high	90.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.6	176.2	-170.4	0	0	0	0	108.8	I206 A207 L208 F249 Y254 F287 L326 I328 F436	I206-V285 PolarHBondContact O-N 3.39Å; A207-V285 CarbonylContact C-O 3.59Å; A207-V285 WeakPolarHBondContact CA-O 3.17Å; L208-V285 PolarHBondContact N-O 3.01Å; F249-V285 HydrophobicContact CE1-CB 4.42Å; F249-V285 HydrophobicContact CE1-CG1 4.22Å; F249-V285 HydrophobicContact CE1-CG2 4.12Å; F249-V285 HydrophobicContact CZ-CG1 4.46Å; Y254-V285 HydrophobicContact CE1-CG2 3.83Å; V285-F287 HydrophobicContact CB-CE2 4.17Å; V285-F287 HydrophobicContact CG1-CD2 4.03Å; V285-F287 HydrophobicContact CG1-CE1 4.34Å; V285-F287 HydrophobicContact CG1-CE2 3.29Å; V285-F287 HydrophobicContact CG1-CZ 3.45Å; V285-F287 VanDerWaalsContact CG1-CZ 3.45Å; V285-L326 CarbonylContact C-O 3.56Å; V285-L326 WeakPolarHBondContact CA-O 3.23Å; V285-L326 HydrophobicContact CB-CB 4.35Å; V285-L326 HydrophobicContact CG1-CB 3.93Å; V285-L326 HydrophobicContact CG2-CB 4.19Å; V285-L326 HydrophobicContact CG2-CD1 4.39Å; V285-L326 HydrophobicContact CG2-CD2 4.46Å; V285-I328 HydrophobicContact CG1-CD1 4.14Å; V285-F436 HydrophobicContact CG2-CE1 4.4Å
286	V	98.8	Very high	90.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.8	176.6	-177.5	0	0	0	0	109.6	L208 I271 L284 I288 L314 L326 L327 I328	L208-V286 HydrophobicContact CB-CG2 4.3Å; L208-V286 HydrophobicContact CD2-CG1 4.4Å; L208-V286 HydrophobicContact CD2-CG2 4.38Å; L208-V286 CarbonylContact O-C 3.55Å; L208-V286 WeakPolarHBondContact O-CA 3.44Å; I271-V286 HydrophobicContact CD1-CG1 4.33Å; I271-V286 HydrophobicContact CG1-CG1 4.36Å; L284-V286 HydrophobicContact CD1-CG2 4.32Å; L284-V286 HydrophobicContact CD2-CG2 4.45Å; L284-V286 HydrophobicContact CG-CG2 4.18Å; V286-I288 HydrophobicContact CG1-CG1 4.25Å; V286-L314 HydrophobicContact CG2-CD1 4.34Å; V286-L314 HydrophobicContact CG2-CD2 3.78Å; V286-L326 PolarHBondContact N-O 3.47Å; V286-L327 HydrophobicContact CB-CD1 4.16Å; V286-L327 HydrophobicContact CG1-CD1 4.14Å; V286-L327 WeakPolarHBondContact O-CA 3.27Å; V286-I328 PolarHBondContact O-N 3.41Å
287	F	98.9	Very high	91.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.6	172.8	-62.5	-87.1	0	0	0	110.1	A207 L208 I209 I210 L245 F249 V285 I328 L387	A207-F287 HydrophobicContact CB-CE2 4.5Å; L208-F287 PolarHBondContact O-N 3.29Å; I209-F287 HydrophobicContact CB-CB 4.46Å; I209-F287 HydrophobicContact CG1-CB 4.34Å; I209-F287 HydrophobicContact CG1-CD2 3.94Å; I209-F287 HydrophobicContact CG1-CG 4.47Å; I209-F287 HydrophobicContact CG2-CB 4.22Å; I210-F287 PolarHBondContact N-O 2.98Å; L245-F287 HydrophobicContact CD1-CB 4.12Å; L245-F287 HydrophobicContact CD1-CD1 3.7Å; L245-F287 HydrophobicContact CD1-CD2 4.42Å; L245-F287 HydrophobicContact CD1-CE1 4.23Å; L245-F287 HydrophobicContact CD1-CG 3.82Å; L245-F287 HydrophobicContact CD2-CD1 3.78Å; L245-F287 HydrophobicContact CD2-CE1 3.39Å; L245-F287 HydrophobicContact CD2-CE2 4.24Å; L245-F287 HydrophobicContact CD2-CG 4.36Å; L245-F287 HydrophobicContact CD2-CZ 3.68Å; L245-F287 HydrophobicContact CG-CD1 4.4Å; L245-F287 HydrophobicContact CG-CE1 4.45Å; F249-F287 HydrophobicContact CD2-CE2 4.19Å; F249-F287 HydrophobicContact CD2-CZ 4.06Å; F249-F287 HydrophobicContact CE1-CE2 4.31Å; F249-F287 HydrophobicContact CE1-CZ 4.15Å; F249-F287 HydrophobicContact CE2-CE1 4.35Å; F249-F287 AromaticContact CE2-CE2 3.95Å; F249-F287 HydrophobicContact CE2-CE2 3.95Å; F249-F287 AromaticContact CE2-CZ 3.39Å; F249-F287 HydrophobicContact CE2-CZ 3.39Å; F249-F287 HydrophobicContact CG-CE2 4.49Å; F249-F287 HydrophobicContact CZ-CE2 4.03Å; F249-F287 AromaticContact CZ-CZ 3.46Å; F249-F287 HydrophobicContact CZ-CZ 3.46Å; F249-F287 VanDerWaalsContact CZ-CZ 3.46Å; V285-F287 HydrophobicContact CB-CE2 4.17Å; V285-F287 HydrophobicContact CG1-CD2 4.03Å; V285-F287 HydrophobicContact CG1-CE1 4.34Å; V285-F287 HydrophobicContact CG1-CE2 3.29Å; V285-F287 HydrophobicContact CG1-CZ 3.45Å; V285-F287 VanDerWaalsContact CG1-CZ 3.45Å; F287-I328 CarbonylContact C-O 3.59Å; F287-I328 VanDerWaalsContact CA-O 3.32Å; F287-I328 WeakPolarHBondContact CA-O 3.3Å; F287-I328 HydrophobicContact CD1-CB 3.67Å; F287-I328 HydrophobicContact CD1-CD1 4.24Å; F287-I328 HydrophobicContact CD1-CG1 4.49Å; F287-I328 HydrophobicContact CD1-CG2 3.8Å; F287-I328 HydrophobicContact CE1-CB 3.77Å; F287-I328 HydrophobicContact CE1-CD1 3.44Å; F287-I328 VanDerWaalsContact CE1-CD1 3.44Å; F287-I328 HydrophobicContact CE1-CG1 4.14Å; F287-I328 HydrophobicContact CE1-CG2 3.85Å; F287-I328 HydrophobicContact CZ-CD1 3.83Å; F287-L387 HydrophobicContact CE1-CD2 4.19Å
288	I	98.7	Very high	92.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.6	171	-57.9	-179.4	0	0	0	108.7	V286 V297 I310 L327 I328 I329 Q330	V286-I288 HydrophobicContact CG1-CG1 4.25Å; I288-V297 HydrophobicContact CG2-CB 4.37Å; I288-V297 HydrophobicContact CG2-CG1 4.35Å; I288-V297 HydrophobicContact CG2-CG2 4.31Å; I288-I310 HydrophobicContact CD1-CD1 3.81Å; I288-I310 HydrophobicContact CD1-CG2 4.14Å; I288-L327 HydrophobicContact CD1-CD1 4.07Å; I288-L327 HydrophobicContact CG1-CD1 4.39Å; I288-I328 PolarHBondContact N-O 3.43Å; I288-I329 HydrophobicContact CB-CG1 4.49Å; I288-Q330 PolarHBondContact O-N 3.38Å
289	L	98.3	Very high	92.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	99	177	-44	179.7	0	0	0	108.2	I209 I210 N211 Q212 R235 D241 K242 L245 Q330 I384	I209-L289 HydrophobicContact CG2-CD1 4.31Å; I210-L289 PolarHBondContact O-N 2.87Å; N211-L289 HydrophobicContact CB-CD1 4.48Å; Q212-L289 WeakPolarHBondContact CB-O 3.21Å; Q212-L289 PolarHBondContact N-O 3.15Å; R235-L289 VanDerWaalsContact NH1-C 3.29Å; R235-L289 PolarHBondContact NH1-O 3.35Å; D241-L289 HydrophobicContact CB-CD1 3.88Å; K242-L289 HydrophobicContact CB-CD1 4.39Å; L245-L289 HydrophobicContact CD1-CD1 4.24Å; L245-L289 HydrophobicContact CD1-CD2 4.26Å; L289-Q330 HydrophobicContact CD2-CB 3.62Å; L289-Q330 HydrophobicContact CD2-CG 4.38Å; L289-I384 HydrophobicContact CD2-CD1 3.95Å; L289-I384 HydrophobicContact CD2-CG1 3.98Å
290	S	97.1	Very high	93.9	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	9%	0.093	C	C	.	.	S	Bend	trans	-150.4	-177.5	-174.7	-162	0	0	0	0	114.2	Q212 R235 Y298 Q330 A331	Q212-S290 WeakPolarHBondContact CB-OG 3.07Å; Q212-S290 WeakPolarHBondContact CG-OG 3.5Å; R235-S290 PolarHBondContact NE-O 3.19Å; R235-S290 VanDerWaalsContact NE-O 3.13Å; R235-S290 PolarHBondContact NH2-O 3.28Å; S290-Y298 WeakPolarHBondContact CB-O 3.3Å; S290-Y298 PolarHBondContact OG-O 3.48Å; S290-Q330 PolarHBondContact N-O 3.21Å; S290-Q330 VanDerWaalsContact O-O 3.12Å; S290-A331 WeakPolarHBondContact O-CA 3.46Å; S290-A331 WeakPolarHBondContact O-CB 3.12Å
291	H	94.9	Very high	95.1	Very high	42 Å²	42	14.2 Å²	14.2	19%	0.194	7%	0.068	C	C	.	.			trans	-74.9	158.7	156.4	-72.7	-58	0	0	0	109.7	F215 L232 R233 R235 Y298	F215-H291 AromaticContact CD2-CD2 3.81Å; F215-H291 AromaticContact CE2-CD2 3.29Å; F215-H291 WeakPolarHBondContact CE2-CD2 3.4Å; F215-H291 AromaticContact CE2-NE2 3.81Å; F215-H291 HydrophobicContact CZ-CB 4.38Å; F215-H291 AromaticContact CZ-CD2 3.48Å; F215-H291 VanDerWaalsContact CZ-CD2 3.48Å; F215-H291 WeakPolarHBondContact CZ-CD2 3.32Å; L232-H291 HydrophobicContact CD1-CB 4.33Å; L232-H291 HydrophobicContact CD2-CB 4.4Å; R233-H291 PolarHBondContact O-NE2 3.36Å; R235-H291 WeakPolarHBondContact CG-NE2 3.37Å; H291-Y298 HydrophobicContact CB-CD2 3.84Å; H291-Y298 PolarHBondContact O-N 3.42Å
292	G	92.8	Very high	95.9	Very high	13 Å²	13	10.4 Å²	10.4	13%	0.134	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	-178.5	177.7	0	0	0	0	0	111.6	A296 C332	G292-A296 VanDerWaalsContact CA-O 3.23Å; G292-A296 WeakPolarHBondContact CA-O 3.42Å; G292-C332 CarbonylContact C-O 3.54Å
293	F	91.6	Very high	96.4	Very high	7 Å²	7	8.2 Å²	8.2	3%	0.031	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	179.9	169.9	58.2	-88.1	0	0	0	107.9	E295 A296 Y298 A304 C332 Q333 L336 P342 L345	F293-E295 PolarHBondContact O-N 3.26Å; F293-A296 HydrophobicContact CD1-CB 4.16Å; F293-A296 HydrophobicContact CD2-CB 4.05Å; F293-A296 HydrophobicContact CE1-CB 3.8Å; F293-A296 HydrophobicContact CE2-CB 3.7Å; F293-A296 HydrophobicContact CG-CB 4.29Å; F293-A296 HydrophobicContact CZ-CB 3.59Å; F293-A296 PolarHBondContact N-O 2.71Å; F293-A296 PolarHBondContact O-N 3.22Å; F293-Y298 AromaticContact CD1-CE2 3.75Å; F293-Y298 HydrophobicContact CD1-CE2 3.75Å; F293-Y298 AromaticContact CD1-CZ 3.87Å; F293-Y298 HydrophobicContact CE1-CE1 4.29Å; F293-Y298 AromaticContact CE1-CE2 3.97Å; F293-Y298 HydrophobicContact CE1-CE2 3.97Å; F293-Y298 AromaticContact CE1-CZ 3.63Å; F293-Y298 WeakPolarHBondContact CE1-OH 3.39Å; F293-A304 HydrophobicContact CE1-CB 3.84Å; F293-A304 HydrophobicContact CZ-CB 4.05Å; F293-C332 PolarHBondContact N-O 2.89Å; F293-Q333 PolarHBondContact O-NE2 2.8Å; F293-Q333 VanDerWaalsContact O-NE2 3.16Å; F293-Q333 PolarHBondContact O-OE1 3.02Å; F293-L336 HydrophobicContact CB-CD1 3.41Å; F293-L336 VanDerWaalsContact CB-CD1 3.41Å; F293-L336 HydrophobicContact CB-CG 3.63Å; F293-L336 HydrophobicContact CD1-CD1 3.57Å; F293-L336 HydrophobicContact CD2-CD1 3.96Å; F293-L336 HydrophobicContact CE1-CD1 4.26Å; F293-L336 HydrophobicContact CG-CD1 3.38Å; F293-L336 HydrophobicContact CG-CG 4.08Å; F293-P342 HydrophobicContact CE1-CG 4.15Å; F293-P342 HydrophobicContact CZ-CG 3.77Å; F293-L345 HydrophobicContact CE2-CD2 4.17Å; F293-L345 HydrophobicContact CZ-CD2 3.6Å
294	E	90.4	Very high	96.4	Very high	51 Å²	51	8.2 Å²	8.2	24%	0.238	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	114.3	-177	-173	176.2	-139	0	0	113.6	A296 E334 K335 N369	E294-A296 PolarHBondContact O-N 2.76Å; E294-E334 PolarHBondContact N-O 3.42Å; E294-K335 WeakPolarHBondContact OE1-CE 3.21Å; E294-K335 IonicContact OE1-NZ 3.89Å; E294-K335 WeakPolarHBondContact OE2-CE 3.25Å; E294-K335 VanDerWaalsContact OE2-CG 3.27Å; E294-K335 WeakPolarHBondContact OE2-CG 3.39Å; E294-N369 HydrophobicContact CG-CB 4.3Å
295	E	92.3	Very high	96.4	Very high	39 Å²	39	8.2 Å²	8.2	18%	0.182	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	20.2	-179.6	-58.5	-70.8	142.6	0	0	115.7	F293 I307 R363 N369	F293-E295 PolarHBondContact O-N 3.26Å; E295-I307 PolarHBondContact O-N 3.2Å; E295-R363 IonicContact OE1-NH2 2.68Å; E295-R363 PolarHBondContact OE1-NH2 2.9Å; E295-R363 IonicContact OE2-CZ 3.45Å; E295-R363 IonicContact OE2-NH1 3.34Å; E295-R363 IonicContact OE2-NH2 3.79Å; E295-R363 PolarHBondContact OE2-NH2 2.89Å; E295-N369 PolarHBondContact OE1-ND2 3.29Å
296	A	95.1	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152	178.3	0	0	0	0	0	113.7	G292 F293 E294 M305 L345	G292-A296 VanDerWaalsContact CA-O 3.23Å; G292-A296 WeakPolarHBondContact CA-O 3.42Å; F293-A296 HydrophobicContact CD1-CB 4.16Å; F293-A296 HydrophobicContact CD2-CB 4.05Å; F293-A296 HydrophobicContact CE1-CB 3.8Å; F293-A296 HydrophobicContact CE2-CB 3.7Å; F293-A296 HydrophobicContact CG-CB 4.29Å; F293-A296 HydrophobicContact CZ-CB 3.59Å; F293-A296 PolarHBondContact N-O 2.71Å; F293-A296 PolarHBondContact O-N 3.22Å; E294-A296 PolarHBondContact O-N 2.76Å; A296-M305 VanDerWaalsContact CA-O 3.27Å; A296-M305 WeakPolarHBondContact CA-O 3.24Å; A296-L345 HydrophobicContact CB-CD2 3.81Å
297	V	96.9	Very high	96.2	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.5	173.1	-67.4	0	0	0	0	110.4	I288 M305 I307 I310 I329 A331	I288-V297 HydrophobicContact CG2-CB 4.37Å; I288-V297 HydrophobicContact CG2-CG1 4.35Å; I288-V297 HydrophobicContact CG2-CG2 4.31Å; V297-M305 HydrophobicContact CG2-CB 4.44Å; V297-M305 PolarHBondContact N-O 3.24Å; V297-M305 PolarHBondContact O-N 2.76Å; V297-I307 HydrophobicContact CG1-CD1 4.05Å; V297-I307 HydrophobicContact CG1-CG1 4.05Å; V297-I310 HydrophobicContact CG2-CD1 3.82Å; V297-I329 HydrophobicContact CG1-CG2 3.73Å; V297-A331 HydrophobicContact CG1-CB 4.03Å
298	Y	97.8	Very high	96	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.027	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.1	175.1	-72.8	-72	0	0	0	111.8	S228 L232 S290 H291 F293 S302 I303 A304	S228-Y298 VanDerWaalsContact CB-CE1 3.5Å; S228-Y298 PolarHBondContact OG-OH 3.31Å; L232-Y298 HydrophobicContact CD1-CD1 3.98Å; L232-Y298 HydrophobicContact CD1-CD2 3.74Å; L232-Y298 HydrophobicContact CD1-CE2 4.3Å; L232-Y298 HydrophobicContact CD1-CG 3.54Å; L232-Y298 HydrophobicContact CD2-CD2 4.24Å; L232-Y298 HydrophobicContact CD2-CE2 4.15Å; S290-Y298 WeakPolarHBondContact CB-O 3.3Å; S290-Y298 PolarHBondContact OG-O 3.48Å; H291-Y298 HydrophobicContact CB-CD2 3.84Å; H291-Y298 PolarHBondContact O-N 3.42Å; F293-Y298 AromaticContact CD1-CE2 3.75Å; F293-Y298 HydrophobicContact CD1-CE2 3.75Å; F293-Y298 AromaticContact CD1-CZ 3.87Å; F293-Y298 HydrophobicContact CE1-CE1 4.29Å; F293-Y298 AromaticContact CE1-CE2 3.97Å; F293-Y298 HydrophobicContact CE1-CE2 3.97Å; F293-Y298 AromaticContact CE1-CZ 3.63Å; F293-Y298 WeakPolarHBondContact CE1-OH 3.39Å; Y298-S302 WeakPolarHBondContact CD1-O 3.37Å; Y298-I303 WeakPolarHBondContact CA-O 3.36Å; Y298-A304 HydrophobicContact CD1-CB 3.99Å; Y298-A304 HydrophobicContact CE1-CB 3.64Å
299	A	98.3	Very high	95.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.			trans	-83.6	172.4	162	0	0	0	0	0	111.4	F215 H264 I267 N301 S302 I303 M305	F215-A299 WeakPolarHBondContact CD1-O 3.22Å; H264-A299 HydrophobicContact CB-CB 3.87Å; I267-A299 HydrophobicContact CD1-CB 3.67Å; A299-N301 WeakPolarHBondContact CB-OD1 3.41Å; A299-N301 PolarHBondContact O-N 3.11Å; A299-S302 WeakPolarHBondContact O-CA 3.38Å; A299-S302 PolarHBondContact O-N 3.41Å; A299-I303 PolarHBondContact N-O 3.2Å; A299-M305 HydrophobicContact CB-SD 4.24Å
300	S	98.2	Very high	95.8	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.021	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	-177.9	65.7	0	0	0	0	113.4	Q212 F215 H216 N261 V262 D263 S302	Q212-S300 VanDerWaalsContact OE1-CB 3.26Å; F215-S300 CarbonylContact C-O 3.57Å; F215-S300 WeakPolarHBondContact CA-O 3.36Å; H216-S300 PolarHBondContact CD2-O 2.75Å; H216-S300 PolarHBondContact N-O 2.81Å; N261-S300 VanDerWaalsContact C-OG 3.29Å; N261-S300 WeakPolarHBondContact O-CB 3.49Å; N261-S300 PolarHBondContact O-OG 2.7Å; V262-S300 WeakPolarHBondContact O-CB 3.46Å; V262-S300 PolarHBondContact O-N 2.75Å; V262-S300 PolarHBondContact O-OG 2.77Å; V262-S300 VanDerWaalsContact O-OG 3.1Å; D263-S300 PolarHBondContact N-OG 2.9Å; S300-S302 PolarHBondContact O-N 2.81Å; S300-S302 VanDerWaalsContact O-N 3.16Å
301	N	98	Very high	95.8	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.027	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	16.6	174.8	70.6	-26.5	0	0	0	113.3	H216 V219 L227 D263 H264 A299 I303	H216-N301 VanDerWaalsContact CE1-CB 3.41Å; H216-N301 WeakPolarHBondContact CE1-CB 3.27Å; H216-N301 CarbonylContact O-C 3.04Å; H216-N301 VanDerWaalsContact O-CA 3.26Å; H216-N301 WeakPolarHBondContact O-CA 3.18Å; H216-N301 VanDerWaalsContact O-O 3.12Å; V219-N301 HydrophobicContact CG1-CB 3.95Å; L227-N301 VanDerWaalsContact CD2-O 3.23Å; L227-N301 WeakPolarHBondContact CD2-O 3.1Å; D263-N301 HydrophobicContact CB-CB 4.03Å; H264-N301 PolarHBondContact CE1-ND2 2.92Å; H264-N301 VanDerWaalsContact CE1-ND2 3.31Å; H264-N301 PolarHBondContact N-OD1 2.78Å; H264-N301 PolarHBondContact ND1-ND2 3.4Å; A299-N301 WeakPolarHBondContact CB-OD1 3.41Å; A299-N301 PolarHBondContact O-N 3.11Å; N301-I303 WeakPolarHBondContact ND2-CD1 3.34Å; N301-I303 PolarHBondContact O-N 2.64Å; N301-I303 VanDerWaalsContact O-N 3.16Å
302	S	97.5	Very high	95.9	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.075	C	C	.	.			trans	60.8	18.1	178.3	-49.5	0	0	0	0	114.9	H216 L227 S228 Y298 A299 S300	H216-S302 WeakPolarHBondContact O-CB 3.32Å; H216-S302 PolarHBondContact O-N 2.83Å; H216-S302 PolarHBondContact O-OG 2.85Å; L227-S302 CarbonylContact C-O 3.6Å; L227-S302 WeakPolarHBondContact CA-O 3.5Å; S228-S302 PolarHBondContact N-O 2.78Å; Y298-S302 WeakPolarHBondContact CD1-O 3.37Å; A299-S302 WeakPolarHBondContact O-CA 3.38Å; A299-S302 PolarHBondContact O-N 3.41Å; S300-S302 PolarHBondContact O-N 2.81Å; S300-S302 VanDerWaalsContact O-N 3.16Å
303	I	97.4	Very high	96	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-81	130	172.5	-71.7	-175.1	0	0	0	109.6	V219 N223 F226 L227 H264 Y298 A299 N301 F346	V219-I303 HydrophobicContact CG1-CD1 4.08Å; V219-I303 HydrophobicContact CG1-CG1 4.26Å; N223-I303 HydrophobicContact CB-CD1 3.8Å; F226-I303 HydrophobicContact CB-CB 4.48Å; F226-I303 HydrophobicContact CB-CG1 4.32Å; F226-I303 HydrophobicContact CB-CG2 3.81Å; L227-I303 HydrophobicContact CD2-CG1 4.28Å; H264-I303 HydrophobicContact CB-CB 4.21Å; H264-I303 HydrophobicContact CB-CG2 3.98Å; Y298-I303 WeakPolarHBondContact CA-O 3.36Å; A299-I303 PolarHBondContact N-O 3.2Å; N301-I303 WeakPolarHBondContact ND2-CD1 3.34Å; N301-I303 PolarHBondContact O-N 2.64Å; N301-I303 VanDerWaalsContact O-N 3.16Å; I303-F346 HydrophobicContact CG2-CB 3.64Å; I303-F346 HydrophobicContact CG2-CG 4.21Å
304	A	96.2	Very high	96.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.1	176	0	0	0	0	0	111.1	F226 F293 Y298 P342 L345 F346	F226-A304 PolarHBondContact O-N 2.81Å; F226-A304 VanDerWaalsContact O-N 3.08Å; F293-A304 HydrophobicContact CE1-CB 3.84Å; F293-A304 HydrophobicContact CZ-CB 4.05Å; Y298-A304 HydrophobicContact CD1-CB 3.99Å; Y298-A304 HydrophobicContact CE1-CB 3.64Å; A304-P342 HydrophobicContact CB-CG 3.8Å; A304-L345 HydrophobicContact CB-CD2 3.64Å; A304-F346 WeakPolarHBondContact O-CB 3.41Å; A304-F346 PolarHBondContact O-N 2.87Å
305	M	96.8	Very high	96.4	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.6	177.3	-60.7	173.4	67.4	0	0	109.6	H264 I267 I268 A296 V297 A299 I310 I348	H264-M305 HydrophobicContact CB-CG 4.16Å; H264-M305 HydrophobicContact CB-SD 3.69Å; I267-M305 HydrophobicContact CB-CE 4.42Å; I267-M305 HydrophobicContact CB-SD 4.46Å; I267-M305 HydrophobicContact CD1-SD 4.04Å; I267-M305 HydrophobicContact CG2-CE 4.18Å; I268-M305 HydrophobicContact CD1-CE 4.12Å; I268-M305 HydrophobicContact CG1-CE 3.76Å; A296-M305 VanDerWaalsContact CA-O 3.27Å; A296-M305 WeakPolarHBondContact CA-O 3.24Å; V297-M305 HydrophobicContact CG2-CB 4.44Å; V297-M305 PolarHBondContact N-O 3.24Å; V297-M305 PolarHBondContact O-N 2.76Å; A299-M305 HydrophobicContact CB-SD 4.24Å; M305-I310 HydrophobicContact CB-CD1 4.37Å; M305-I310 HydrophobicContact CE-CD1 4.36Å; M305-I310 HydrophobicContact CE-CG1 4.39Å; M305-I348 HydrophobicContact CE-CD1 3.88Å; M305-I348 HydrophobicContact CE-CG1 4.23Å
306	K	96.1	Very high	96.3	Very high	73 Å²	73	11.3 Å²	11.3	32%	0.317	6%	0.059	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.7	178.9	-164.8	177.2	174.8	-138.7	0	110.5	T308 D309 I310 L345	K306-T308 VanDerWaalsContact C-N 3.31Å; K306-T308 VanDerWaalsContact CD-OG1 3.28Å; K306-T308 WeakPolarHBondContact CD-OG1 3.39Å; K306-T308 WeakPolarHBondContact CE-OG1 3.42Å; K306-T308 WeakPolarHBondContact CG-OG1 3.38Å; K306-T308 PolarHBondContact NZ-OG1 3.47Å; K306-T308 PolarHBondContact O-N 2.97Å; K306-D309 HydrophobicContact CB-CB 4.31Å; K306-D309 IonicContact NZ-OD1 3.9Å; K306-D309 PolarHBondContact O-N 3.12Å; K306-I310 PolarHBondContact O-N 3.48Å; K306-L345 HydrophobicContact CB-CD1 4.35Å; K306-L345 HydrophobicContact CD-CD1 4.48Å; K306-L345 HydrophobicContact CG-CD1 4.3Å
307	I	96.2	Very high	95.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63.4	-38.8	-178.2	-69	173.1	0	0	0	111.2	E295 V297 D309 I310 E311 L327 I329 M365	E295-I307 PolarHBondContact O-N 3.2Å; V297-I307 HydrophobicContact CG1-CD1 4.05Å; V297-I307 HydrophobicContact CG1-CG1 4.05Å; I307-D309 PolarHBondContact O-N 2.8Å; I307-I310 WeakPolarHBondContact O-CB 3.45Å; I307-I310 PolarHBondContact O-N 2.78Å; I307-I310 VanDerWaalsContact O-N 3.15Å; I307-E311 PolarHBondContact O-N 2.82Å; I307-L327 HydrophobicContact CG2-CD2 4.34Å; I307-I329 HydrophobicContact CB-CD1 4.33Å; I307-I329 HydrophobicContact CD1-CD1 3.81Å; I307-I329 HydrophobicContact CG1-CD1 3.9Å; I307-I329 HydrophobicContact CG2-CD1 3.51Å; I307-M365 HydrophobicContact CD1-SD 4.39Å
308	T	95.2	Very high	94.9	Very high	32 Å²	32	18.4 Å²	18.4	20%	0.196	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-35	177.7	62	0	0	0	0	112.3	K306 I310 E311 D312	K306-T308 VanDerWaalsContact C-N 3.31Å; K306-T308 VanDerWaalsContact CD-OG1 3.28Å; K306-T308 WeakPolarHBondContact CD-OG1 3.39Å; K306-T308 WeakPolarHBondContact CE-OG1 3.42Å; K306-T308 WeakPolarHBondContact CG-OG1 3.38Å; K306-T308 PolarHBondContact NZ-OG1 3.47Å; K306-T308 PolarHBondContact O-N 2.97Å; T308-I310 VanDerWaalsContact C-N 3.3Å; T308-I310 PolarHBondContact O-N 3.45Å; T308-E311 WeakPolarHBondContact O-CB 3.3Å; T308-E311 PolarHBondContact O-N 2.84Å; T308-D312 WeakPolarHBondContact O-CB 3.42Å; T308-D312 PolarHBondContact O-N 2.77Å
309	D	96.3	Very high	93.9	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-72.9	-29.3	-179.1	-63.5	11.7	0	0	0	110.6	K306 I307 L313 R347 I348 V350	K306-D309 HydrophobicContact CB-CB 4.31Å; K306-D309 IonicContact NZ-OD1 3.9Å; K306-D309 PolarHBondContact O-N 3.12Å; I307-D309 PolarHBondContact O-N 2.8Å; D309-L313 WeakPolarHBondContact O-CB 3.37Å; D309-L313 PolarHBondContact O-N 2.8Å; D309-R347 VanDerWaalsContact OD2-CA 3.3Å; D309-R347 WeakPolarHBondContact OD2-CA 3.45Å; D309-I348 HydrophobicContact CB-CB 4.05Å; D309-I348 HydrophobicContact CB-CD1 4.07Å; D309-I348 HydrophobicContact CB-CG1 4.17Å; D309-I348 PolarHBondContact OD2-N 3.31Å; D309-V350 WeakPolarHBondContact O-CG1 3.3Å
310	I	97.8	Very high	93.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-71.4	-40.9	172.2	-61.5	172.2	0	0	0	110.4	I271 I288 V297 M305 K306 I307 T308 L313 L314 L327 I348	I271-I310 HydrophobicContact CD1-CG2 3.78Å; I288-I310 HydrophobicContact CD1-CD1 3.81Å; I288-I310 HydrophobicContact CD1-CG2 4.14Å; V297-I310 HydrophobicContact CG2-CD1 3.82Å; M305-I310 HydrophobicContact CB-CD1 4.37Å; M305-I310 HydrophobicContact CE-CD1 4.36Å; M305-I310 HydrophobicContact CE-CG1 4.39Å; K306-I310 PolarHBondContact O-N 3.48Å; I307-I310 WeakPolarHBondContact O-CB 3.45Å; I307-I310 PolarHBondContact O-N 2.78Å; I307-I310 VanDerWaalsContact O-N 3.15Å; T308-I310 VanDerWaalsContact C-N 3.3Å; T308-I310 PolarHBondContact O-N 3.45Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 PolarHBondContact O-N 3.09Å; I310-L314 PolarHBondContact O-N 2.79Å; I310-L314 VanDerWaalsContact O-N 3.16Å; I310-L327 HydrophobicContact CB-CD2 4.5Å; I310-L327 HydrophobicContact CG2-CD1 4.08Å; I310-L327 HydrophobicContact CG2-CD2 4.08Å; I310-I348 HydrophobicContact CB-CD1 4.5Å; I310-I348 HydrophobicContact CG1-CD1 3.71Å
311	E	96.5	Very high	92.3	Very high	36 Å²	36	22.3 Å²	22.3	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-48.1	173.3	-179.4	176	133.3	0	0	111.1	I307 T308 L313 L314 C315 L327 H358 M361 R363	I307-E311 PolarHBondContact O-N 2.82Å; T308-E311 WeakPolarHBondContact O-CB 3.3Å; T308-E311 PolarHBondContact O-N 2.84Å; E311-L313 PolarHBondContact O-N 2.89Å; E311-L314 WeakPolarHBondContact O-CB 3.37Å; E311-L314 PolarHBondContact O-N 2.83Å; E311-C315 PolarHBondContact O-N 3.33Å; E311-C315 PolarHBondContact O-SG 3.13Å; E311-C315 VanDerWaalsContact O-SG 3.33Å; E311-L327 HydrophobicContact CB-CD2 4.21Å; E311-H358 IonicContact OE1-CD2 3.55Å; E311-M361 HydrophobicContact CB-CE 4.49Å; E311-M361 HydrophobicContact CG-CE 3.88Å; E311-M361 HydrophobicContact CG-CG 4.24Å; E311-R363 WeakPolarHBondContact OE2-CD 3.37Å; E311-R363 IonicContact OE2-CZ 3.7Å; E311-R363 IonicContact OE2-NE 3.17Å; E311-R363 IonicContact OE2-NH1 2.76Å; E311-R363 PolarHBondContact OE2-NH1 2.98Å
312	D	95.8	Very high	91.2	Very high	34 Å²	34	27.2 Å²	27.2	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-34.6	176.2	-68.8	-20.9	0	0	0	111.6	T308 L314 C315 S316 V350 T352 H358	T308-D312 WeakPolarHBondContact O-CB 3.42Å; T308-D312 PolarHBondContact O-N 2.77Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 3.1Å; D312-C315 CarbonylContact O-C 3.58Å; D312-C315 PolarHBondContact O-N 3.36Å; D312-S316 VanDerWaalsContact O-CB 3.32Å; D312-S316 WeakPolarHBondContact O-CB 3.5Å; D312-S316 PolarHBondContact O-N 3.47Å; D312-V350 HydrophobicContact CB-CG1 4Å; D312-T352 HydrophobicContact CB-CG2 4.14Å; D312-H358 IonicContact OD1-CD2 2.9Å; D312-H358 IonicContact OD1-CE1 3.63Å; D312-H358 IonicContact OD1-NE2 3.97Å; D312-H358 PolarHBondContact OD1-NE2 3.45Å
313	L	96.3	Very high	90.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-35.1	172.9	-174.6	65.3	0	0	0	113.3	I268 I271 R272 D309 I310 E311 S316 Y317 I348 V350	I268-L313 HydrophobicContact CG2-CD2 4.17Å; I271-L313 HydrophobicContact CB-CD2 3.96Å; I271-L313 HydrophobicContact CG2-CD2 3.65Å; I271-L313 HydrophobicContact CG2-CG 3.98Å; R272-L313 HydrophobicContact CG-CD1 3.97Å; R272-L313 HydrophobicContact CG-CD2 4.3Å; D309-L313 WeakPolarHBondContact O-CB 3.37Å; D309-L313 PolarHBondContact O-N 2.8Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 PolarHBondContact O-N 3.09Å; E311-L313 PolarHBondContact O-N 2.89Å; L313-S316 PolarHBondContact O-OG 3.01Å; L313-Y317 HydrophobicContact CD1-CE2 3.98Å; L313-Y317 WeakPolarHBondContact O-CD2 3.16Å; L313-Y317 WeakPolarHBondContact O-CE2 2.95Å; L313-I348 HydrophobicContact CD1-CG2 4.44Å; L313-I348 HydrophobicContact CD2-CD1 4.49Å; L313-I348 HydrophobicContact CD2-CG2 4.43Å; L313-V350 HydrophobicContact CB-CG1 4.37Å; L313-V350 HydrophobicContact CD1-CB 4.39Å; L313-V350 HydrophobicContact CD1-CG2 4.27Å
314	L	95.6	Very high	90.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-73	-34.3	174	-67.7	169.1	0	0	0	111.5	I271 L284 V286 I310 E311 D312 K325 L327 M361	I271-L314 HydrophobicContact CG2-CD2 3.77Å; I271-L314 HydrophobicContact CG2-CG 4.37Å; L284-L314 HydrophobicContact CD2-CD2 3.66Å; L284-L314 HydrophobicContact CG-CD2 4.46Å; V286-L314 HydrophobicContact CG2-CD1 4.34Å; V286-L314 HydrophobicContact CG2-CD2 3.78Å; I310-L314 PolarHBondContact O-N 2.79Å; I310-L314 VanDerWaalsContact O-N 3.16Å; E311-L314 WeakPolarHBondContact O-CB 3.37Å; E311-L314 PolarHBondContact O-N 2.83Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 3.1Å; L314-K325 WeakPolarHBondContact O-CD 3.4Å; L314-L327 HydrophobicContact CD1-CB 3.99Å; L314-L327 HydrophobicContact CD1-CD1 4.32Å; L314-L327 HydrophobicContact CD1-CD2 4.47Å; L314-L327 HydrophobicContact CD1-CG 4.49Å; L314-M361 HydrophobicContact CD1-CE 3.97Å
315	C	94.3	Very high	90.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-82.2	-19.1	-177.7	-64.6	0	0	0	0	113.4	E311 D312 Y317 T352 Q357	E311-C315 PolarHBondContact O-N 3.33Å; E311-C315 PolarHBondContact O-SG 3.13Å; E311-C315 VanDerWaalsContact O-SG 3.33Å; D312-C315 CarbonylContact O-C 3.58Å; D312-C315 PolarHBondContact O-N 3.36Å; C315-Y317 PolarHBondContact O-N 3.48Å; C315-T352 HydrophobicContact CB-CG2 4.05Å; C315-Q357 HydrophobicContact CB-CB 4.41Å; C315-Q357 WeakPolarHBondContact CB-O 3.38Å; C315-Q357 WeakPolarHBondContact O-CB 3.4Å
316	S	90.8	Very high	90.7	Very high	33 Å²	33	28.9 Å²	28.9	23%	0.231	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4	-176	68.2	0	0	0	0	115	D312 L313 V350	D312-S316 VanDerWaalsContact O-CB 3.32Å; D312-S316 WeakPolarHBondContact O-CB 3.5Å; D312-S316 PolarHBondContact O-N 3.47Å; L313-S316 PolarHBondContact O-OG 3.01Å; S316-V350 VanDerWaalsContact CB-CG2 3.47Å; S316-V350 WeakPolarHBondContact OG-CG2 3.4Å
317	Y	84.9	Confident	90.8	Very high	40 Å²	40	25.4 Å²	25.4	16%	0.157	12%	0.124	C	C	.	.			trans	-103.3	119.2	-175	-76.9	-97.7	0	0	0	112.2	R272 C275 D276 L313 C315 T319 L320	R272-Y317 WeakPolarHBondContact CB-OH 3.45Å; R272-Y317 WeakPolarHBondContact CG-OH 3.49Å; C275-Y317 HydrophobicContact CB-CD1 3.65Å; C275-Y317 HydrophobicContact CB-CD2 3.56Å; C275-Y317 HydrophobicContact CB-CE1 3.94Å; C275-Y317 HydrophobicContact CB-CE2 3.85Å; C275-Y317 HydrophobicContact CB-CG 3.46Å; C275-Y317 VanDerWaalsContact CB-CG 3.46Å; D276-Y317 VanDerWaalsContact OD1-CE1 3.23Å; D276-Y317 WeakPolarHBondContact OD1-CE1 3Å; L313-Y317 HydrophobicContact CD1-CE2 3.98Å; L313-Y317 WeakPolarHBondContact O-CD2 3.16Å; L313-Y317 WeakPolarHBondContact O-CE2 2.95Å; C315-Y317 PolarHBondContact O-N 3.48Å; Y317-T319 PolarHBondContact O-N 2.9Å; Y317-T319 VanDerWaalsContact O-N 3.11Å; Y317-L320 PolarHBondContact O-N 3.46Å
318	D	77.9	Confident	90.9	Very high	110 Å²	110	25.4 Å²	25.4	59%	0.588	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-60	-23.8	176.9	-64.8	-9.9	0	0	0	112.8	L320 Y321	D318-L320 PolarHBondContact O-N 3.39Å; D318-Y321 HydrophobicContact CB-CD2 4.1Å; D318-Y321 HydrophobicContact CB-CE2 3.91Å; D318-Y321 PolarHBondContact O-N 3.26Å; D318-Y321 WeakPolarHBondContact OD1-CE2 3.48Å; D318-Y321 PolarHBondContact OD1-OH 3.04Å
319	T	75.4	Confident	91.1	Very high	31 Å²	31	24 Å²	24	19%	0.19	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.8	176	56	0	0	0	0	113.6	C275 L279 Y317 K323	C275-T319 PolarHBondContact O-OG1 2.89Å; L279-T319 HydrophobicContact CB-CG2 4.09Å; L279-T319 HydrophobicContact CD1-CG2 4.18Å; Y317-T319 PolarHBondContact O-N 2.9Å; Y317-T319 VanDerWaalsContact O-N 3.11Å; T319-K323 PolarHBondContact O-NZ 3.06Å
320	L	82.4	Confident	91.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-113	7.9	-177.8	-67.3	171.7	0	0	0	113.2	C275 S278 L284 Y317 D318 Y322 K323 K325	C275-L320 HydrophobicContact CB-CD1 3.96Å; S278-L320 VanDerWaalsContact CB-CD2 3.43Å; L284-L320 HydrophobicContact CB-CD2 3.83Å; L284-L320 HydrophobicContact CD2-CD1 3.65Å; L284-L320 HydrophobicContact CD2-CD2 4.32Å; Y317-L320 PolarHBondContact O-N 3.46Å; D318-L320 PolarHBondContact O-N 3.39Å; L320-Y322 PolarHBondContact O-N 3.3Å; L320-K323 PolarHBondContact O-N 3.22Å; L320-K325 HydrophobicContact CB-CD 3.94Å; L320-K325 HydrophobicContact CB-CG 4.11Å; L320-K325 HydrophobicContact CD1-CD 4.43Å; L320-K325 HydrophobicContact CD1-CG 4.31Å; L320-K325 PolarHBondContact O-NZ 3.47Å
321	Y	80.1	Confident	90.9	Very high	60 Å²	60	23.8 Å²	23.8	24%	0.235	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	137.4	170.6	-75.5	-26	0	0	0	111.1	D318 K323 Q357	D318-Y321 HydrophobicContact CB-CD2 4.1Å; D318-Y321 HydrophobicContact CB-CE2 3.91Å; D318-Y321 PolarHBondContact O-N 3.26Å; D318-Y321 WeakPolarHBondContact OD1-CE2 3.48Å; D318-Y321 PolarHBondContact OD1-OH 3.04Å; Y321-K323 PolarHBondContact O-N 3.26Å; Y321-Q357 HydrophobicContact CE1-CB 3.9Å; Y321-Q357 HydrophobicContact CE1-CG 3.61Å; Y321-Q357 WeakPolarHBondContact OH-CG 3.31Å; Y321-Q357 PolarHBondContact OH-NE2 3.17Å
322	Y	75.5	Confident	90.3	Very high	109 Å²	109	23.6 Å²	23.6	43%	0.427	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	15.2	-179.7	-49.7	-54.1	0	0	0	115.4	L320 I359 D360	L320-Y322 PolarHBondContact O-N 3.3Å; Y322-I359 HydrophobicContact CD1-CG2 4.12Å; Y322-I359 HydrophobicContact CE1-CD1 4.44Å; Y322-I359 HydrophobicContact CE1-CG2 4.45Å; Y322-D360 WeakPolarHBondContact CA-OD2 3.27Å
323	K	87.5	Confident	89.8	Confident	34 Å²	34	22 Å²	22	15%	0.148	11%	0.108	C	C	.	.	S	Bend	trans	-108.4	142.6	173.1	-65.5	180	-177	-178.1	0	110.4	S278 L279 R281 T319 L320 Y321 K325	S278-K323 PolarHBondContact O-NZ 2.79Å; L279-K323 VanDerWaalsContact C-NZ 3.32Å; L279-K323 PolarHBondContact O-NZ 2.74Å; R281-K323 VanDerWaalsContact O-CD 3.26Å; R281-K323 WeakPolarHBondContact O-CD 3.4Å; R281-K323 WeakPolarHBondContact O-CE 3.27Å; R281-K323 PolarHBondContact O-NZ 3.34Å; T319-K323 PolarHBondContact O-NZ 3.06Å; L320-K323 PolarHBondContact O-N 3.22Å; Y321-K323 PolarHBondContact O-N 3.26Å; K323-K325 PolarHBondContact O-N 3.21Å; K323-K325 PolarHBondContact O-NZ 3.21Å
324	P	95.3	Very high	89.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.			trans	-58.9	122.3	173.6	-24.4	34.8	0	0	0	111.2	L197 L199 D282 S283 L284 L326 D360 F430 V434	L197-P324 HydrophobicContact CD2-CG 3.27Å; L199-P324 HydrophobicContact CD2-CG 4.36Å; D282-P324 WeakPolarHBondContact O-CD 3.15Å; S283-P324 WeakPolarHBondContact CA-O 3.33Å; S283-P324 WeakPolarHBondContact CB-O 3.28Å; L284-P324 PolarHBondContact N-O 2.8Å; P324-L326 HydrophobicContact CB-CD1 3.78Å; P324-D360 WeakPolarHBondContact CA-O 3.37Å; P324-F430 HydrophobicContact CB-CE1 4Å; P324-F430 HydrophobicContact CB-CZ 4.37Å; P324-V434 HydrophobicContact CB-CG1 3.97Å; P324-V434 HydrophobicContact CB-CG2 4.42Å; P324-V434 HydrophobicContact CG-CB 4.43Å; P324-V434 HydrophobicContact CG-CG1 3.6Å; P324-V434 HydrophobicContact CG-CG2 3.91Å
325	K	96.5	Very high	88.4	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.9	171.3	-64.9	162.5	-70.5	-62	0	107.4	L284 L314 L320 K323 I359 D360 M361 L362	L284-K325 WeakPolarHBondContact O-CA 3.3Å; L314-K325 WeakPolarHBondContact O-CD 3.4Å; L320-K325 HydrophobicContact CB-CD 3.94Å; L320-K325 HydrophobicContact CB-CG 4.11Å; L320-K325 HydrophobicContact CD1-CD 4.43Å; L320-K325 HydrophobicContact CD1-CG 4.31Å; L320-K325 PolarHBondContact O-NZ 3.47Å; K323-K325 PolarHBondContact O-N 3.21Å; K323-K325 PolarHBondContact O-NZ 3.21Å; K325-I359 WeakPolarHBondContact CE-O 3.25Å; K325-I359 PolarHBondContact NZ-O 3.3Å; K325-D360 PolarHBondContact N-O 2.98Å; K325-M361 HydrophobicContact CB-SD 3.42Å; K325-M361 WeakPolarHBondContact CB-SD 3.2Å; K325-M361 HydrophobicContact CD-SD 4.49Å; K325-M361 CarbonylContact O-C 3.6Å; K325-M361 WeakPolarHBondContact O-CA 3.44Å; K325-M361 VanDerWaalsContact O-SD 3.41Å; K325-L362 PolarHBondContact O-N 3.39Å
326	L	98.3	Very high	87.6	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.8	-179.3	-72	77.5	0	0	0	109.2	L284 V285 V286 P324 L362 I400 F430 F436	L284-L326 PolarHBondContact O-N 3.49Å; V285-L326 CarbonylContact C-O 3.56Å; V285-L326 WeakPolarHBondContact CA-O 3.23Å; V285-L326 HydrophobicContact CB-CB 4.35Å; V285-L326 HydrophobicContact CG1-CB 3.93Å; V285-L326 HydrophobicContact CG2-CB 4.19Å; V285-L326 HydrophobicContact CG2-CD1 4.39Å; V285-L326 HydrophobicContact CG2-CD2 4.46Å; V286-L326 PolarHBondContact N-O 3.47Å; P324-L326 HydrophobicContact CB-CD1 3.78Å; L326-L362 CarbonylContact C-O 3.43Å; L326-L362 WeakPolarHBondContact CA-O 3.36Å; L326-L362 HydrophobicContact CG-CB 4.42Å; L326-I400 HydrophobicContact CD2-CG1 3.85Å; L326-F430 HydrophobicContact CD1-CZ 4.02Å; L326-F430 HydrophobicContact CG-CZ 4.27Å; L326-F436 HydrophobicContact CD2-CE1 4.31Å; L326-F436 HydrophobicContact CD2-CZ 3.74Å
327	L	98.6	Very high	86.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.1	172	179.6	60.2	0	0	0	109	V286 I288 I307 I310 E311 L314 I329 M361 L362 R363 A364	V286-L327 HydrophobicContact CB-CD1 4.16Å; V286-L327 HydrophobicContact CG1-CD1 4.14Å; V286-L327 WeakPolarHBondContact O-CA 3.27Å; I288-L327 HydrophobicContact CD1-CD1 4.07Å; I288-L327 HydrophobicContact CG1-CD1 4.39Å; I307-L327 HydrophobicContact CG2-CD2 4.34Å; I310-L327 HydrophobicContact CB-CD2 4.5Å; I310-L327 HydrophobicContact CG2-CD1 4.08Å; I310-L327 HydrophobicContact CG2-CD2 4.08Å; E311-L327 HydrophobicContact CB-CD2 4.21Å; L314-L327 HydrophobicContact CD1-CB 3.99Å; L314-L327 HydrophobicContact CD1-CD1 4.32Å; L314-L327 HydrophobicContact CD1-CD2 4.47Å; L314-L327 HydrophobicContact CD1-CG 4.49Å; L327-I329 HydrophobicContact CD1-CD1 4.37Å; L327-I329 HydrophobicContact CD1-CG1 4.21Å; L327-I329 HydrophobicContact CD2-CD1 4.06Å; L327-I329 HydrophobicContact CG-CD1 3.94Å; L327-I329 HydrophobicContact CG-CG1 4.02Å; L327-M361 HydrophobicContact CB-CE 3.37Å; L327-M361 HydrophobicContact CD2-CE 4.34Å; L327-L362 PolarHBondContact N-O 2.93Å; L327-R363 CarbonylContact O-C 3.57Å; L327-R363 VanDerWaalsContact O-CA 3.31Å; L327-R363 WeakPolarHBondContact O-CA 3.36Å; L327-A364 PolarHBondContact O-N 3.07Å
328	I	98.6	Very high	85.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.1	-175	-59.2	174.4	0	0	0	108.9	V285 V286 F287 I288 A364 F383 I384 L387	V285-I328 HydrophobicContact CG1-CD1 4.14Å; V286-I328 PolarHBondContact O-N 3.41Å; F287-I328 CarbonylContact C-O 3.59Å; F287-I328 VanDerWaalsContact CA-O 3.32Å; F287-I328 WeakPolarHBondContact CA-O 3.3Å; F287-I328 HydrophobicContact CD1-CB 3.67Å; F287-I328 HydrophobicContact CD1-CD1 4.24Å; F287-I328 HydrophobicContact CD1-CG1 4.49Å; F287-I328 HydrophobicContact CD1-CG2 3.8Å; F287-I328 HydrophobicContact CE1-CB 3.77Å; F287-I328 HydrophobicContact CE1-CD1 3.44Å; F287-I328 VanDerWaalsContact CE1-CD1 3.44Å; F287-I328 HydrophobicContact CE1-CG1 4.14Å; F287-I328 HydrophobicContact CE1-CG2 3.85Å; F287-I328 HydrophobicContact CZ-CD1 3.83Å; I288-I328 PolarHBondContact N-O 3.43Å; I328-A364 CarbonylContact C-O 3.52Å; I328-A364 WeakPolarHBondContact CA-O 3.29Å; I328-A364 HydrophobicContact CG1-CB 4.36Å; I328-F383 HydrophobicContact CG2-CE1 3.78Å; I328-F383 HydrophobicContact CG2-CZ 4.14Å; I328-I384 HydrophobicContact CG2-CD1 4.36Å; I328-L387 HydrophobicContact CD1-CD2 4.07Å; I328-L387 HydrophobicContact CG2-CD2 4.02Å
329	I	98.3	Very high	85	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.7	-168.7	-56.7	177.7	0	0	0	110.5	I288 V297 I307 L327 A331 A364 M365 S366	I288-I329 HydrophobicContact CB-CG1 4.49Å; V297-I329 HydrophobicContact CG1-CG2 3.73Å; I307-I329 HydrophobicContact CB-CD1 4.33Å; I307-I329 HydrophobicContact CD1-CD1 3.81Å; I307-I329 HydrophobicContact CG1-CD1 3.9Å; I307-I329 HydrophobicContact CG2-CD1 3.51Å; L327-I329 HydrophobicContact CD1-CD1 4.37Å; L327-I329 HydrophobicContact CD1-CG1 4.21Å; L327-I329 HydrophobicContact CD2-CD1 4.06Å; L327-I329 HydrophobicContact CG-CD1 3.94Å; L327-I329 HydrophobicContact CG-CG1 4.02Å; I329-A331 HydrophobicContact CG2-CB 3.91Å; I329-A364 PolarHBondContact N-O 2.56Å; I329-M365 HydrophobicContact CB-CG 4.48Å; I329-M365 WeakPolarHBondContact O-CA 3.36Å; I329-S366 PolarHBondContact O-N 3.45Å
330	Q	96.9	Very high	84.9	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	90.8	167.1	175	57.8	39	0	0	109	I288 L289 S290 I384	I288-Q330 PolarHBondContact O-N 3.38Å; L289-Q330 HydrophobicContact CD2-CB 3.62Å; L289-Q330 HydrophobicContact CD2-CG 4.38Å; S290-Q330 PolarHBondContact N-O 3.21Å; S290-Q330 VanDerWaalsContact O-O 3.12Å; Q330-I384 HydrophobicContact CB-CD1 4.16Å; Q330-I384 HydrophobicContact CB-CG1 3.95Å; Q330-I384 HydrophobicContact CG-CG1 4.16Å
331	A	92.6	Very high	84.5	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.008	26%	0.257	C	S	.	.	S	Bend	trans	-153.5	152	176	0	0	0	0	0	110.4	S290 V297 I329 S366 A373	S290-A331 WeakPolarHBondContact O-CA 3.46Å; S290-A331 WeakPolarHBondContact O-CB 3.12Å; V297-A331 HydrophobicContact CG1-CB 4.03Å; I329-A331 HydrophobicContact CG2-CB 3.91Å; A331-S366 PolarHBondContact O-OG 3.22Å; A331-A373 WeakPolarHBondContact O-CB 3.45Å
332	C	84.9	Confident	84.6	Confident	32 Å²	32	53.6 Å²	53.6	22%	0.216	25%	0.251	C	S	.	.			trans	-58.8	145.8	169.8	-61.6	0	0	0	0	110.1	G292 F293 A373	G292-C332 CarbonylContact C-O 3.54Å; F293-C332 PolarHBondContact N-O 2.89Å; C332-A373 PolarHBondContact SG-N 3.31Å; C332-A373 VanDerWaalsContact SG-N 3.42Å
333	Q	85.9	Confident	85	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.			trans	-123.6	26	177.3	-68.9	-61.7	-60.1	0	0	111.4	F293 M365 T367 G370 Y371	F293-Q333 PolarHBondContact O-NE2 2.8Å; F293-Q333 VanDerWaalsContact O-NE2 3.16Å; F293-Q333 PolarHBondContact O-OE1 3.02Å; Q333-M365 HydrophobicContact CG-SD 4.49Å; Q333-T367 HydrophobicContact CB-CG2 4.2Å; Q333-G370 WeakPolarHBondContact O-CA 3.43Å; Q333-G370 PolarHBondContact O-N 3.16Å; Q333-Y371 CarbonylContact C-O 3.55Å; Q333-Y371 PolarHBondContact N-O 3.32Å
334	E	82	Confident	85.1	Confident	84 Å²	84	58.1 Å²	58.1	39%	0.393	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-61.4	148.5	-178.8	-66.4	-179.1	175.6	0	0	112.8	E294 L336 Y371 A372	E294-E334 PolarHBondContact N-O 3.42Å; E334-L336 PolarHBondContact O-N 2.88Å; E334-Y371 WeakPolarHBondContact CG-O 3.42Å; E334-Y371 PolarHBondContact N-O 3.02Å; E334-A372 HydrophobicContact CG-CB 4.39Å; E334-A372 WeakPolarHBondContact OE1-CA 3.35Å; E334-A372 WeakPolarHBondContact OE1-CB 3.33Å
335	K	80.3	Confident	84.9	Confident	140 Å²	140	60.8 Å²	60.8	61%	0.609	30%	0.295	S	S	*	.			trans	-75.4	105.1	169.6	-84	-179.8	178.9	179.7	0	109.8	E294	E294-K335 WeakPolarHBondContact OE1-CE 3.21Å; E294-K335 IonicContact OE1-NZ 3.89Å; E294-K335 WeakPolarHBondContact OE2-CE 3.25Å; E294-K335 VanDerWaalsContact OE2-CG 3.27Å; E294-K335 WeakPolarHBondContact OE2-CG 3.39Å
336	L	77.1	Confident	84.8	Confident	41 Å²	41	62.1 Å²	62.1	22%	0.215	30%	0.301	C	S	.	.			trans	-73.3	133.6	170.6	-64.2	176.6	0	0	0	110.6	F293 E334 K340 K341	F293-L336 HydrophobicContact CB-CD1 3.41Å; F293-L336 VanDerWaalsContact CB-CD1 3.41Å; F293-L336 HydrophobicContact CB-CG 3.63Å; F293-L336 HydrophobicContact CD1-CD1 3.57Å; F293-L336 HydrophobicContact CD2-CD1 3.96Å; F293-L336 HydrophobicContact CE1-CD1 4.26Å; F293-L336 HydrophobicContact CG-CD1 3.38Å; F293-L336 HydrophobicContact CG-CG 4.08Å; E334-L336 PolarHBondContact O-N 2.88Å; L336-K340 HydrophobicContact CB-CB 4.31Å; L336-K340 WeakPolarHBondContact CD1-O 3.24Å; L336-K340 HydrophobicContact CD2-CB 4.14Å; L336-K341 HydrophobicContact CB-CD 4.18Å; L336-K341 HydrophobicContact CB-CG 3.38Å; L336-K341 HydrophobicContact CD1-CG 4.09Å; L336-K341 HydrophobicContact CG-CG 4.38Å; L336-K341 WeakPolarHBondContact O-CE 3.38Å
337	V	72	Confident	84.4	Confident	108 Å²	108	71 Å²	71	66%	0.655	33%	0.334	S	S	*	.			trans	-66.1	151.5	168.5	-169.1	0	0	0	0	108.7	K339 K340 K341	V337-K339 PolarHBondContact O-N 2.61Å; V337-K340 PolarHBondContact O-N 3.32Å; V337-K341 PolarHBondContact O-N 2.89Å
338	H	63.3	Low	84.1	Confident	174 Å²	174	71.3 Å²	71.3	81%	0.806	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-46.8	-36.3	-175.9	-76.9	-5	0	0	0	114.7	K340 K341	H338-K340 PolarHBondContact O-N 3.49Å; H338-K341 PolarHBondContact O-N 3.13Å
339	K	62.7	Low	83.6	Confident	196 Å²	196	78.4 Å²	78.4	85%	0.852	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.5	-14.9	178.5	-64.9	-173.5	178.6	-177.7	0	115.1	V337	V337-K339 PolarHBondContact O-N 2.61Å
340	K	73.4	Confident	83	Confident	121 Å²	121	79.6 Å²	79.6	53%	0.526	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-111.1	-2.2	-177.9	-66.7	-170.5	175.2	-176.2	0	113.3	P229 L336 V337 H338	P229-K340 WeakPolarHBondContact CD-O 3.48Å; P229-K340 WeakPolarHBondContact CG-O 3.43Å; L336-K340 HydrophobicContact CB-CB 4.31Å; L336-K340 WeakPolarHBondContact CD1-O 3.24Å; L336-K340 HydrophobicContact CD2-CB 4.14Å; V337-K340 PolarHBondContact O-N 3.32Å; H338-K340 PolarHBondContact O-N 3.49Å
341	K	74.6	Confident	82.2	Confident	65 Å²	65	84.6 Å²	84.6	28%	0.283	41%	0.412	S	S	.	.	S	Bend	trans	-88.8	146.4	173.8	-73.6	-171.2	170.5	-180	0	111	P229 L336 V337 H338	P229-K341 VanDerWaalsContact CG-C 3.44Å; P229-K341 WeakPolarHBondContact CG-O 3.39Å; L336-K341 HydrophobicContact CB-CD 4.18Å; L336-K341 HydrophobicContact CB-CG 3.38Å; L336-K341 HydrophobicContact CD1-CG 4.09Å; L336-K341 HydrophobicContact CG-CG 4.38Å; L336-K341 WeakPolarHBondContact O-CE 3.38Å; V337-K341 PolarHBondContact O-N 2.89Å; H338-K341 PolarHBondContact O-N 3.13Å
342	P	82.8	Confident	81.8	Confident	14 Å²	14	86.2 Å²	86.2	9%	0.091	42%	0.421	C	S	.	.			trans	-59	155.1	165.7	28.5	-35.1	0	0	0	110.1	L227 F293 A304 E344 L345	L227-P342 VanDerWaalsContact O-CB 3.31Å; L227-P342 WeakPolarHBondContact O-CB 3.19Å; F293-P342 HydrophobicContact CE1-CG 4.15Å; F293-P342 HydrophobicContact CZ-CG 3.77Å; A304-P342 HydrophobicContact CB-CG 3.8Å; P342-E344 VanDerWaalsContact C-N 3.28Å; P342-E344 PolarHBondContact O-N 2.99Å; P342-L345 HydrophobicContact CG-CD2 4.43Å
343	N	82.9	Confident	81.6	Confident	146 Å²	146	91 Å²	91	78%	0.781	45%	0.449	S	S	*	.	S	Bend	trans	-62.8	-39.4	-179.8	-71.3	-10.6	0	0	0	111.2	K225	K225-N343 PolarHBondContact O-N 3.31Å
344	E	91.1	Very high	81.5	Confident	92 Å²	92	92.9 Å²	92.9	43%	0.43	46%	0.463	S	S	.	.	S	Bend	trans	-136.9	157.5	177.1	-69.7	176.4	-146.3	0	0	110.4	K225 F226 P342	K225-E344 WeakPolarHBondContact CE-OE2 3.34Å; K225-E344 IonicContact NZ-OE1 3.58Å; K225-E344 IonicContact NZ-OE2 2.75Å; K225-E344 PolarHBondContact NZ-OE2 2.92Å; K225-E344 PolarHBondContact O-N 3.22Å; K225-E344 VanDerWaalsContact O-N 3.16Å; F226-E344 WeakPolarHBondContact CA-O 3.48Å; F226-E344 HydrophobicContact CD1-CB 3.72Å; F226-E344 HydrophobicContact CE1-CB 3.73Å; P342-E344 VanDerWaalsContact C-N 3.28Å; P342-E344 PolarHBondContact O-N 2.99Å
345	L	90.2	Very high	81.7	Confident	55 Å²	55	94.1 Å²	94.1	29%	0.288	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-92.4	137.9	166.8	-70	171.6	0	0	0	109	F293 A296 A304 K306 P342 R347	F293-L345 HydrophobicContact CE2-CD2 4.17Å; F293-L345 HydrophobicContact CZ-CD2 3.6Å; A296-L345 HydrophobicContact CB-CD2 3.81Å; A304-L345 HydrophobicContact CB-CD2 3.64Å; K306-L345 HydrophobicContact CB-CD1 4.35Å; K306-L345 HydrophobicContact CD-CD1 4.48Å; K306-L345 HydrophobicContact CG-CD1 4.3Å; P342-L345 HydrophobicContact CG-CD2 4.43Å; L345-R347 PolarHBondContact O-N 3.45Å
346	F	93.4	Very high	81.9	Confident	30 Å²	30	92 Å²	92	13%	0.132	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-66.4	124.6	169.9	-174.6	-88.8	0	0	0	108.7	F226 H264 M265 I268 I303 A304	F226-F346 HydrophobicContact CB-CB 4.38Å; F226-F346 HydrophobicContact CD1-CB 4.24Å; F226-F346 HydrophobicContact CD2-CB 4.4Å; F226-F346 AromaticContact CD2-CD2 3.88Å; F226-F346 HydrophobicContact CD2-CD2 3.88Å; F226-F346 AromaticContact CE2-CD2 3.77Å; F226-F346 HydrophobicContact CE2-CD2 3.77Å; F226-F346 HydrophobicContact CE2-CE2 4.46Å; F226-F346 HydrophobicContact CG-CB 4.11Å; F226-F346 HydrophobicContact CG-CD2 4.42Å; F226-F346 HydrophobicContact CZ-CD2 4.2Å; H264-F346 AromaticContact CD2-CD2 3.81Å; H264-F346 AromaticContact CD2-CE2 3.71Å; H264-F346 AromaticContact CD2-CZ 3.89Å; H264-F346 AromaticContact NE2-CE2 3.98Å; M265-F346 HydrophobicContact SD-CZ 3.98Å; I268-F346 HydrophobicContact CD1-CE1 3.69Å; I268-F346 HydrophobicContact CD1-CZ 4.45Å; I303-F346 HydrophobicContact CG2-CB 3.64Å; I303-F346 HydrophobicContact CG2-CG 4.21Å; A304-F346 WeakPolarHBondContact O-CB 3.41Å; A304-F346 PolarHBondContact O-N 2.87Å
347	R	91.7	Very high	82.5	Confident	186 Å²	186	90.4 Å²	90.4	70%	0.702	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-96.4	132.7	176.7	-63	-169.8	68.2	-178.3	-2.8	109.4	D309 L345	D309-R347 VanDerWaalsContact OD2-CA 3.3Å; D309-R347 WeakPolarHBondContact OD2-CA 3.45Å; L345-R347 PolarHBondContact O-N 3.45Å
348	I	91.6	Very high	83.4	Confident	8 Å²	8	87.1 Å²	87.1	4%	0.041	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-80.3	129.5	170.6	-57.8	165.3	0	0	0	106.3	I268 M305 D309 I310 L313 V350	I268-I348 HydrophobicContact CD1-CD1 4.47Å; I268-I348 HydrophobicContact CD1-CG1 3.84Å; I268-I348 HydrophobicContact CD1-CG2 4.38Å; I268-I348 HydrophobicContact CG1-CD1 4.09Å; I268-I348 HydrophobicContact CG1-CG1 3.99Å; I268-I348 HydrophobicContact CG1-CG2 4.45Å; I268-I348 HydrophobicContact CG2-CG2 4.35Å; M305-I348 HydrophobicContact CE-CD1 3.88Å; M305-I348 HydrophobicContact CE-CG1 4.23Å; D309-I348 HydrophobicContact CB-CB 4.05Å; D309-I348 HydrophobicContact CB-CD1 4.07Å; D309-I348 HydrophobicContact CB-CG1 4.17Å; D309-I348 PolarHBondContact OD2-N 3.31Å; I310-I348 HydrophobicContact CB-CD1 4.5Å; I310-I348 HydrophobicContact CG1-CD1 3.71Å; L313-I348 HydrophobicContact CD1-CG2 4.44Å; L313-I348 HydrophobicContact CD2-CD1 4.49Å; L313-I348 HydrophobicContact CD2-CG2 4.43Å; I348-V350 HydrophobicContact CB-CG1 4.15Å; I348-V350 HydrophobicContact CG2-CB 4.24Å; I348-V350 HydrophobicContact CG2-CG1 3.97Å; I348-V350 PolarHBondContact O-N 2.96Å
349	D	88.6	Confident	84.7	Confident	149 Å²	149	80.4 Å²	80.4	80%	0.797	41%	0.412	S	S	*	.	S	Bend	trans	-71.2	83.7	173.4	-170	20.8	0	0	0	109.2
350	V	85.9	Confident	86.1	Confident	27 Å²	27	71.1 Å²	71.1	16%	0.164	37%	0.371	C	S	.	.			trans	-146.6	144.4	177.5	65.9	0	0	0	0	109	D309 D312 L313 S316 I348	D309-V350 WeakPolarHBondContact O-CG1 3.3Å; D312-V350 HydrophobicContact CB-CG1 4Å; L313-V350 HydrophobicContact CB-CG1 4.37Å; L313-V350 HydrophobicContact CD1-CB 4.39Å; L313-V350 HydrophobicContact CD1-CG2 4.27Å; S316-V350 VanDerWaalsContact CB-CG2 3.47Å; S316-V350 WeakPolarHBondContact OG-CG2 3.4Å; I348-V350 HydrophobicContact CB-CG1 4.15Å; I348-V350 HydrophobicContact CG2-CB 4.24Å; I348-V350 HydrophobicContact CG2-CG1 3.97Å; I348-V350 PolarHBondContact O-N 2.96Å
351	T	80.4	Confident	87.2	Confident	108 Å²	108	65.6 Å²	65.6	66%	0.663	35%	0.348	S	S	*	.			trans	-140.6	130.7	176.1	-37.4	0	0	0	0	109.1
352	T	82.5	Confident	88.3	Confident	34 Å²	34	62.5 Å²	62.5	21%	0.209	33%	0.334	C	S	.	.			trans	-89	128	164.7	54.7	0	0	0	0	109.1	D312 C315 Q357 H358	D312-T352 HydrophobicContact CB-CG2 4.14Å; C315-T352 HydrophobicContact CB-CG2 4.05Å; T352-Q357 VanDerWaalsContact C-OE1 3.24Å; T352-Q357 HydrophobicContact CG2-CB 4.39Å; T352-H358 PolarHBondContact OG1-CE1 2.89Å
353	V	80.6	Confident	89	Confident	132 Å²	132	62.2 Å²	62.2	80%	0.8	33%	0.331	S	S	*	.	S	Bend	trans	-90.1	-18.6	-178.6	-62.7	0	0	0	0	113.9
354	S	85.2	Confident	89.7	Confident	41 Å²	41	55.3 Å²	55.3	29%	0.287	29%	0.294	S	S	.	.	S	Bend	trans	-143.1	144.6	178.7	179.8	0	0	0	0	111.9	D356 Q357	S354-D356 PolarHBondContact O-N 3.05Å; S354-D356 VanDerWaalsContact O-N 3.16Å; S354-D356 PolarHBondContact OG-N 2.79Å; S354-D356 PolarHBondContact OG-OD2 2.82Å; S354-Q357 VanDerWaalsContact N-OE1 3.07Å; S354-Q357 WeakPolarHBondContact O-CB 3.47Å; S354-Q357 VanDerWaalsContact O-CG 3.3Å; S354-Q357 WeakPolarHBondContact O-CG 3.4Å; S354-Q357 PolarHBondContact O-N 2.9Å; S354-Q357 VanDerWaalsContact O-N 3.14Å
355	P	84.8	Confident	90	Very high	109 Å²	109	51 Å²	51	71%	0.708	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.7	171.4	-24.8	34.7	0	0	0	114.2	Q357 H358	P355-Q357 PolarHBondContact O-N 2.81Å; P355-Q357 VanDerWaalsContact O-N 3.09Å; P355-H358 PolarHBondContact O-N 3.19Å; P355-H358 VanDerWaalsContact O-N 3.09Å
356	D	85.1	Confident	90	Very high	95 Å²	95	48.3 Å²	48.3	51%	0.508	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-60.4	-21.7	179.3	-62.7	-36.1	0	0	0	112.7	S354 H358 I359	S354-D356 PolarHBondContact O-N 3.05Å; S354-D356 VanDerWaalsContact O-N 3.16Å; S354-D356 PolarHBondContact OG-N 2.79Å; S354-D356 PolarHBondContact OG-OD2 2.82Å; D356-H358 VanDerWaalsContact C-N 3.25Å; D356-H358 PolarHBondContact O-N 3.45Å; D356-I359 HydrophobicContact CB-CD1 4.11Å; D356-I359 VanDerWaalsContact O-CB 3.27Å; D356-I359 WeakPolarHBondContact O-CB 3.49Å; D356-I359 WeakPolarHBondContact O-CG1 3.36Å; D356-I359 PolarHBondContact O-N 3.01Å
357	Q	88.9	Confident	89.7	Confident	9 Å²	9	47 Å²	47	4%	0.042	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-69	-26	179.3	-60.8	-170.4	-88.8	0	0	112.9	C315 Y321 T352 S354 P355 I359	C315-Q357 HydrophobicContact CB-CB 4.41Å; C315-Q357 WeakPolarHBondContact CB-O 3.38Å; C315-Q357 WeakPolarHBondContact O-CB 3.4Å; Y321-Q357 HydrophobicContact CE1-CB 3.9Å; Y321-Q357 HydrophobicContact CE1-CG 3.61Å; Y321-Q357 WeakPolarHBondContact OH-CG 3.31Å; Y321-Q357 PolarHBondContact OH-NE2 3.17Å; T352-Q357 VanDerWaalsContact C-OE1 3.24Å; T352-Q357 HydrophobicContact CG2-CB 4.39Å; S354-Q357 VanDerWaalsContact N-OE1 3.07Å; S354-Q357 WeakPolarHBondContact O-CB 3.47Å; S354-Q357 VanDerWaalsContact O-CG 3.3Å; S354-Q357 WeakPolarHBondContact O-CG 3.4Å; S354-Q357 PolarHBondContact O-N 2.9Å; S354-Q357 VanDerWaalsContact O-N 3.14Å; P355-Q357 PolarHBondContact O-N 2.81Å; P355-Q357 VanDerWaalsContact O-N 3.09Å; Q357-I359 VanDerWaalsContact C-N 3.29Å
358	H	90.9	Very high	89.2	Confident	38 Å²	38	40.1 Å²	40.1	18%	0.176	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-86.1	1.4	176.5	-63.1	80.8	0	0	0	113	E311 D312 T352 P355 D356 M361 T429	E311-H358 IonicContact OE1-CD2 3.55Å; D312-H358 IonicContact OD1-CD2 2.9Å; D312-H358 IonicContact OD1-CE1 3.63Å; D312-H358 IonicContact OD1-NE2 3.97Å; D312-H358 PolarHBondContact OD1-NE2 3.45Å; T352-H358 PolarHBondContact OG1-CE1 2.89Å; P355-H358 PolarHBondContact O-N 3.19Å; P355-H358 VanDerWaalsContact O-N 3.09Å; D356-H358 VanDerWaalsContact C-N 3.25Å; D356-H358 PolarHBondContact O-N 3.45Å; H358-M361 VanDerWaalsContact O-CB 3.25Å; H358-M361 WeakPolarHBondContact O-CB 3.43Å; H358-M361 PolarHBondContact O-N 2.86Å; H358-T429 WeakPolarHBondContact O-CB 3.47Å; H358-T429 PolarHBondContact O-OG1 3.29Å
359	I	90.6	Very high	88.6	Confident	33 Å²	33	42.3 Å²	42.3	17%	0.169	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	142.3	175.4	-73.4	173.6	0	0	0	110.3	Y322 K325 D356 Q357 M361 R431	Y322-I359 HydrophobicContact CD1-CG2 4.12Å; Y322-I359 HydrophobicContact CE1-CD1 4.44Å; Y322-I359 HydrophobicContact CE1-CG2 4.45Å; K325-I359 WeakPolarHBondContact CE-O 3.25Å; K325-I359 PolarHBondContact NZ-O 3.3Å; D356-I359 HydrophobicContact CB-CD1 4.11Å; D356-I359 VanDerWaalsContact O-CB 3.27Å; D356-I359 WeakPolarHBondContact O-CB 3.49Å; D356-I359 WeakPolarHBondContact O-CG1 3.36Å; D356-I359 PolarHBondContact O-N 3.01Å; Q357-I359 VanDerWaalsContact C-N 3.29Å; I359-M361 VanDerWaalsContact C-N 3.26Å; I359-M361 PolarHBondContact O-N 3.46Å; I359-R431 VanDerWaalsContact CG2-CD 3.45Å; I359-R431 HydrophobicContact CG2-CG 4.02Å
360	D	93.3	Very high	87.8	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	36.6	-179.9	-54.4	-40.7	0	0	0	113.2	Y322 P324 K325 T429 F430 R431	Y322-D360 WeakPolarHBondContact CA-OD2 3.27Å; P324-D360 WeakPolarHBondContact CA-O 3.37Å; K325-D360 PolarHBondContact N-O 2.98Å; D360-T429 PolarHBondContact N-O 2.75Å; D360-F430 HydrophobicContact CB-CD1 4.13Å; D360-F430 WeakPolarHBondContact O-CE1 3.42Å; D360-R431 PolarHBondContact OD1-N 2.8Å; D360-R431 IonicContact OD1-NE 3.16Å; D360-R431 PolarHBondContact OD1-NE 3.3Å; D360-R431 IonicContact OD2-CZ 3.82Å; D360-R431 IonicContact OD2-NE 2.91Å; D360-R431 PolarHBondContact OD2-NE 3.17Å; D360-R431 IonicContact OD2-NH2 2.82Å; D360-R431 PolarHBondContact OD2-NH2 3.18Å
361	M	96.3	Very high	87.3	Confident	5 Å²	5	42 Å²	42	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.7	172.5	-177.9	64.9	-165.1	0	0	110.1	E311 L314 K325 L327 H358 I359 S428 T429	E311-M361 HydrophobicContact CB-CE 4.49Å; E311-M361 HydrophobicContact CG-CE 3.88Å; E311-M361 HydrophobicContact CG-CG 4.24Å; L314-M361 HydrophobicContact CD1-CE 3.97Å; K325-M361 HydrophobicContact CB-SD 3.42Å; K325-M361 WeakPolarHBondContact CB-SD 3.2Å; K325-M361 HydrophobicContact CD-SD 4.49Å; K325-M361 CarbonylContact O-C 3.6Å; K325-M361 WeakPolarHBondContact O-CA 3.44Å; K325-M361 VanDerWaalsContact O-SD 3.41Å; L327-M361 HydrophobicContact CB-CE 3.37Å; L327-M361 HydrophobicContact CD2-CE 4.34Å; H358-M361 VanDerWaalsContact O-CB 3.25Å; H358-M361 WeakPolarHBondContact O-CB 3.43Å; H358-M361 PolarHBondContact O-N 2.86Å; I359-M361 VanDerWaalsContact C-N 3.26Å; I359-M361 PolarHBondContact O-N 3.46Å; M361-S428 WeakPolarHBondContact O-CA 3.4Å; M361-T429 WeakPolarHBondContact CB-OG1 3.4Å; M361-T429 PolarHBondContact N-OG1 3.1Å; M361-T429 PolarHBondContact O-N 3.41Å; M361-T429 PolarHBondContact O-OG1 3.13Å
362	L	97.9	Very high	86.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.9	168.5	-179.3	150.5	0	0	0	109.8	K325 L326 L327 A364 A401 L404 V426 K427 F430	K325-L362 PolarHBondContact O-N 3.39Å; L326-L362 CarbonylContact C-O 3.43Å; L326-L362 WeakPolarHBondContact CA-O 3.36Å; L326-L362 HydrophobicContact CG-CB 4.42Å; L327-L362 PolarHBondContact N-O 2.93Å; L362-A364 HydrophobicContact CD2-CB 4.05Å; L362-A401 HydrophobicContact CD1-CB 4.37Å; L362-L404 HydrophobicContact CD1-CD1 3.73Å; L362-L404 HydrophobicContact CD2-CD1 3.53Å; L362-L404 HydrophobicContact CG-CD1 4.27Å; L362-V426 HydrophobicContact CD1-CG1 4.01Å; L362-V426 HydrophobicContact CD2-CG1 4.37Å; L362-V426 HydrophobicContact CG-CG1 4.16Å; L362-K427 CarbonylContact C-O 3.29Å; L362-K427 WeakPolarHBondContact CA-O 3.35Å; L362-F430 HydrophobicContact CB-CD2 4.32Å; L362-F430 HydrophobicContact CB-CE1 4.11Å; L362-F430 HydrophobicContact CB-CE2 3.55Å; L362-F430 HydrophobicContact CB-CZ 3.39Å; L362-F430 HydrophobicContact CD1-CD2 3.99Å; L362-F430 HydrophobicContact CD1-CE2 3.38Å; L362-F430 HydrophobicContact CD1-CZ 4.11Å; L362-F430 HydrophobicContact CG-CE2 4.08Å; L362-F430 HydrophobicContact CG-CZ 4.36Å
363	R	97.8	Very high	86.4	Confident	9 Å²	9	37.5 Å²	37.5	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.2	170.1	-175	174.4	78.9	-165.4	28.6	109.7	E295 E311 L327 M365 V426 K427	E295-R363 IonicContact OE1-NH2 2.68Å; E295-R363 PolarHBondContact OE1-NH2 2.9Å; E295-R363 IonicContact OE2-CZ 3.45Å; E295-R363 IonicContact OE2-NH1 3.34Å; E295-R363 IonicContact OE2-NH2 3.79Å; E295-R363 PolarHBondContact OE2-NH2 2.89Å; E311-R363 WeakPolarHBondContact OE2-CD 3.37Å; E311-R363 IonicContact OE2-CZ 3.7Å; E311-R363 IonicContact OE2-NE 3.17Å; E311-R363 IonicContact OE2-NH1 2.76Å; E311-R363 PolarHBondContact OE2-NH1 2.98Å; L327-R363 CarbonylContact O-C 3.57Å; L327-R363 VanDerWaalsContact O-CA 3.31Å; L327-R363 WeakPolarHBondContact O-CA 3.36Å; R363-M365 HydrophobicContact CG-CG 4.35Å; R363-V426 CarbonylContact O-C 3.47Å; R363-V426 WeakPolarHBondContact O-CA 3.28Å; R363-K427 PolarHBondContact N-O 2.82Å; R363-K427 PolarHBondContact O-N 3.04Å
364	A	97.8	Very high	86.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.2	172.2	0	0	0	0	0	110.5	L327 I328 I329 L362 F383 L404 N425 V426	L327-A364 PolarHBondContact O-N 3.07Å; I328-A364 CarbonylContact C-O 3.52Å; I328-A364 WeakPolarHBondContact CA-O 3.29Å; I328-A364 HydrophobicContact CG1-CB 4.36Å; I329-A364 PolarHBondContact N-O 2.56Å; L362-A364 HydrophobicContact CD2-CB 4.05Å; A364-F383 HydrophobicContact CB-CZ 4.11Å; A364-L404 HydrophobicContact CB-CD1 4.11Å; A364-L404 HydrophobicContact CB-CD2 3.96Å; A364-N425 CarbonylContact C-O 3.58Å; A364-N425 WeakPolarHBondContact CA-O 3.48Å; A364-V426 HydrophobicContact CB-CG2 4.37Å
365	M	96.2	Very high	85.6	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142	178.7	-58.5	-174.9	-61.1	0	0	109.5	I307 I329 Q333 R363 T367 N369 P424 N425	I307-M365 HydrophobicContact CD1-SD 4.39Å; I329-M365 HydrophobicContact CB-CG 4.48Å; I329-M365 WeakPolarHBondContact O-CA 3.36Å; Q333-M365 HydrophobicContact CG-SD 4.49Å; R363-M365 HydrophobicContact CG-CG 4.35Å; M365-T367 PolarHBondContact O-N 2.8Å; M365-T367 VanDerWaalsContact O-N 3.11Å; M365-N369 WeakPolarHBondContact CE-OD1 3.36Å; M365-P424 CarbonylContact O-C 2.93Å; M365-P424 VanDerWaalsContact O-CA 3.28Å; M365-P424 WeakPolarHBondContact O-CA 3.27Å; M365-N425 HydrophobicContact CE-CB 4.06Å; M365-N425 WeakPolarHBondContact CE-OD1 3.01Å; M365-N425 PolarHBondContact N-O 3.39Å; M365-N425 PolarHBondContact O-N 2.88Å
366	S	90.9	Very high	84.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-60.3	-22.7	-176.8	64.3	0	0	0	0	115.6	I329 A331 A373 F383 M422	I329-S366 PolarHBondContact O-N 3.45Å; A331-S366 PolarHBondContact O-OG 3.22Å; S366-A373 VanDerWaalsContact OG-CB 3.31Å; S366-A373 WeakPolarHBondContact OG-CB 3.14Å; S366-F383 VanDerWaalsContact CA-CD1 3.46Å; S366-F383 VanDerWaalsContact CB-CD1 3.44Å; S366-M422 WeakPolarHBondContact O-CE 3.4Å
367	T	86.6	Confident	83.9	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.169	C	C	.	.	S	Bend	trans	-152.2	158.4	177.4	-160.7	0	0	0	0	110.3	Q333 M365 Y371 A373 V423	Q333-T367 HydrophobicContact CB-CG2 4.2Å; M365-T367 PolarHBondContact O-N 2.8Å; M365-T367 VanDerWaalsContact O-N 3.11Å; T367-Y371 VanDerWaalsContact CG2-O 3.28Å; T367-Y371 WeakPolarHBondContact CG2-O 3.42Å; T367-A373 HydrophobicContact CG2-CB 4.38Å; T367-V423 CarbonylContact C-O 3.57Å; T367-V423 VanDerWaalsContact C-O 3.29Å; T367-V423 WeakPolarHBondContact CA-O 3.41Å
368	V	81.9	Confident	82.7	Confident	43 Å²	43	39.2 Å²	39.2	26%	0.261	20%	0.201	S	C	.	.			trans	-66.7	155.2	173.3	-75.3	0	0	0	0	111.9	G370 Y371 V423 N425	V368-G370 PolarHBondContact O-N 2.58Å; V368-Y371 HydrophobicContact CG2-CD2 3.62Å; V368-Y371 HydrophobicContact CG2-CE2 3.99Å; V368-Y371 HydrophobicContact CG2-CG 4.39Å; V368-Y371 PolarHBondContact O-N 2.97Å; V368-V423 HydrophobicContact CG1-CG1 4.47Å; V368-V423 HydrophobicContact CG2-CB 4.39Å; V368-V423 PolarHBondContact N-O 3.22Å; V368-N425 HydrophobicContact CG1-CB 3.96Å
369	N	79.1	Confident	82.1	Confident	54 Å²	54	42 Å²	42	29%	0.289	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	135.8	179.3	-65	5.6	0	0	0	111.4	E294 E295 M365 Y371	E294-N369 HydrophobicContact CG-CB 4.3Å; E295-N369 PolarHBondContact OE1-ND2 3.29Å; M365-N369 WeakPolarHBondContact CE-OD1 3.36Å; N369-Y371 WeakPolarHBondContact O-CD2 3.47Å
370	G	71.6	Confident	81.8	Confident	26 Å²	26	40.5 Å²	40.5	27%	0.268	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	100.9	-7.7	-178	0	0	0	0	0	115.1	Q333 V368	Q333-G370 WeakPolarHBondContact O-CA 3.43Å; Q333-G370 PolarHBondContact O-N 3.16Å; V368-G370 PolarHBondContact O-N 2.58Å
371	Y	75.9	Confident	81.8	Confident	144 Å²	144	40.6 Å²	40.6	57%	0.565	22%	0.215	S	C	*	.	S	Bend	trans	-123.6	159	-169.9	-62.6	-94.1	0	0	0	114.7	Q333 E334 T367 V368 N369	Q333-Y371 CarbonylContact C-O 3.55Å; Q333-Y371 PolarHBondContact N-O 3.32Å; E334-Y371 WeakPolarHBondContact CG-O 3.42Å; E334-Y371 PolarHBondContact N-O 3.02Å; T367-Y371 VanDerWaalsContact CG2-O 3.28Å; T367-Y371 WeakPolarHBondContact CG2-O 3.42Å; V368-Y371 HydrophobicContact CG2-CD2 3.62Å; V368-Y371 HydrophobicContact CG2-CE2 3.99Å; V368-Y371 HydrophobicContact CG2-CG 4.39Å; V368-Y371 PolarHBondContact O-N 2.97Å; N369-Y371 WeakPolarHBondContact O-CD2 3.47Å
372	A	71.8	Confident	81.7	Confident	31 Å²	31	42.7 Å²	42.7	26%	0.256	22%	0.222	S	C	.	.			trans	-69.7	147	176.8	0	0	0	0	0	111.7	E334	E334-A372 HydrophobicContact CG-CB 4.39Å; E334-A372 WeakPolarHBondContact OE1-CA 3.35Å; E334-A372 WeakPolarHBondContact OE1-CB 3.33Å
373	A	71	Confident	81.6	Confident	15 Å²	15	42.7 Å²	42.7	12%	0.124	22%	0.222	C	C	.	.			trans	-102.4	113.6	165.7	0	0	0	0	0	109.5	A331 C332 S366 T367 M422	A331-A373 WeakPolarHBondContact O-CB 3.45Å; C332-A373 PolarHBondContact SG-N 3.31Å; C332-A373 VanDerWaalsContact SG-N 3.42Å; S366-A373 VanDerWaalsContact OG-CB 3.31Å; S366-A373 WeakPolarHBondContact OG-CB 3.14Å; T367-A373 HydrophobicContact CG2-CB 4.38Å; A373-M422 HydrophobicContact CB-CE 4.2Å
374	L	74.3	Confident	81.6	Confident	34 Å²	34	42.2 Å²	42.2	18%	0.178	22%	0.221	C	C	.	.			trans	-81.6	148.4	-177.7	-53.9	167.8	0	0	0	111.2	W382 E420 M422	L374-W382 HydrophobicContact CB-CE3 4.47Å; L374-W382 HydrophobicContact CB-CZ3 4.43Å; L374-W382 HydrophobicContact CD1-CE3 4.16Å; L374-W382 HydrophobicContact CD1-CH2 3.48Å; L374-W382 VanDerWaalsContact CD1-CH2 3.48Å; L374-W382 HydrophobicContact CD1-CZ2 4.39Å; L374-W382 HydrophobicContact CD1-CZ3 3.39Å; L374-E420 HydrophobicContact CD1-CB 3.62Å; L374-E420 HydrophobicContact CD2-CB 4.13Å; L374-E420 HydrophobicContact CD2-CG 4.48Å; L374-E420 HydrophobicContact CG-CB 4.45Å; L374-M422 HydrophobicContact CB-CG 4.29Å; L374-M422 HydrophobicContact CB-SD 3.47Å; L374-M422 WeakPolarHBondContact CB-SD 3.46Å; L374-M422 HydrophobicContact CD1-CG 3.94Å; L374-M422 HydrophobicContact CD1-SD 4.13Å; L374-M422 HydrophobicContact CG-CG 3.96Å; L374-M422 HydrophobicContact CG-SD 3.82Å; L374-M422 PolarHBondContact N-SD 3.41Å
375	R	74.1	Confident	81.5	Confident	67 Å²	67	43.2 Å²	43.2	25%	0.253	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	137.7	179.4	-177.4	173.6	61	119.8	23.9	110.3	R235 D236	R235-R375 VanDerWaalsContact C-CZ 3.49Å; R235-R375 PolarHBondContact O-NH1 3.42Å; D236-R375 VanDerWaalsContact C-NH1 3.3Å; D236-R375 VanDerWaalsContact N-NH2 3.13Å; D236-R375 PolarHBondContact O-NH1 3.33Å; D236-R375 PolarHBondContact O-NH2 3.04Å
376	H	68.4	Low	81.5	Confident	86 Å²	86	43.8 Å²	43.8	40%	0.398	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.4	172.8	-162.6	-103.7	0	0	0	109.7	Q378 T379 G380	H376-Q378 PolarHBondContact O-N 3.4Å; H376-T379 VanDerWaalsContact CB-OG1 3.27Å; H376-T379 WeakPolarHBondContact CB-OG1 3.35Å; H376-T379 PolarHBondContact ND1-OG1 3.23Å; H376-G380 PolarHBondContact N-O 3.14Å; H376-G380 PolarHBondContact O-N 3.09Å
377	T	67.7	Low	81.9	Confident	82 Å²	82	43.8 Å²	43.8	50%	0.503	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.9	-174	49.7	0	0	0	0	113.4	D236 G237	D236-T377 HydrophobicContact CB-CG2 4.39Å; G237-T377 WeakPolarHBondContact CA-O 3.11Å; G237-T377 PolarHBondContact N-O 3.09Å
378	Q	63.4	Low	82.4	Confident	153 Å²	153	43.7 Å²	43.7	72%	0.715	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-26.8	-175.6	-60.7	-178.6	23.9	0	0	114.3	H376	H376-Q378 PolarHBondContact O-N 3.4Å
379	T	76.8	Confident	83.1	Confident	98 Å²	98	44.6 Å²	44.6	60%	0.601	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	8.2	-170.6	60.8	0	0	0	0	113	H376	H376-T379 VanDerWaalsContact CB-OG1 3.27Å; H376-T379 WeakPolarHBondContact CB-OG1 3.35Å; H376-T379 PolarHBondContact ND1-OG1 3.23Å
380	G	85.9	Confident	83.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.7	-169	-176.9	0	0	0	0	0	113.9	D241 H376	D241-G380 VanDerWaalsContact OD1-CA 3.25Å; D241-G380 WeakPolarHBondContact OD1-CA 3.48Å; H376-G380 PolarHBondContact N-O 3.14Å; H376-G380 PolarHBondContact O-N 3.09Å
381	S	92.4	Very high	85.1	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.3	180	62.2	0	0	0	0	111.8	D241 F383 I384 G385	D241-S381 VanDerWaalsContact CG-OG 3.23Å; D241-S381 PolarHBondContact OD1-N 3.31Å; D241-S381 PolarHBondContact OD1-OG 3.36Å; D241-S381 VanDerWaalsContact OD2-CB 3.24Å; D241-S381 WeakPolarHBondContact OD2-CB 3.47Å; D241-S381 PolarHBondContact OD2-N 2.93Å; D241-S381 PolarHBondContact OD2-OG 3.14Å; S381-F383 VanDerWaalsContact C-N 3.26Å; S381-F383 PolarHBondContact O-N 3.21Å; S381-I384 WeakPolarHBondContact OG-CB 3.38Å; S381-I384 WeakPolarHBondContact OG-CG1 3.32Å; S381-I384 PolarHBondContact OG-N 3.01Å; S381-G385 PolarHBondContact O-N 3.01Å
382	W	93.8	Very high	85.9	Confident	48 Å²	48	36.2 Å²	36.2	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-38.3	178.6	-67.5	-10.5	0	0	0	112.4	L374 S386 K414 M422	L374-W382 HydrophobicContact CB-CE3 4.47Å; L374-W382 HydrophobicContact CB-CZ3 4.43Å; L374-W382 HydrophobicContact CD1-CE3 4.16Å; L374-W382 HydrophobicContact CD1-CH2 3.48Å; L374-W382 VanDerWaalsContact CD1-CH2 3.48Å; L374-W382 HydrophobicContact CD1-CZ2 4.39Å; L374-W382 HydrophobicContact CD1-CZ3 3.39Å; W382-S386 WeakPolarHBondContact O-CB 3.35Å; W382-S386 PolarHBondContact O-N 2.78Å; W382-S386 PolarHBondContact O-OG 3.38Å; W382-K414 HydrophobicContact CB-CD 3.71Å; W382-K414 HydrophobicContact CD2-CB 3.82Å; W382-K414 HydrophobicContact CD2-CD 3.68Å; W382-K414 HydrophobicContact CD2-CG 4.36Å; W382-K414 HydrophobicContact CE3-CB 3.52Å; W382-K414 HydrophobicContact CE3-CD 4.03Å; W382-K414 HydrophobicContact CE3-CG 4.42Å; W382-K414 HydrophobicContact CG-CD 3.53Å; W382-K414 HydrophobicContact CH2-CB 4.05Å; W382-K414 HydrophobicContact CZ2-CB 4.28Å; W382-K414 HydrophobicContact CZ3-CB 3.62Å; W382-M422 HydrophobicContact CE3-CG 4.4Å; W382-M422 HydrophobicContact CE3-SD 3.87Å; W382-M422 HydrophobicContact CZ3-SD 4.43Å
383	F	96.3	Very high	87	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-53	-178.5	175.2	-120.3	0	0	0	112.1	I328 A364 S366 S381 S386 L387 V407 M422 P424	I328-F383 HydrophobicContact CG2-CE1 3.78Å; I328-F383 HydrophobicContact CG2-CZ 4.14Å; A364-F383 HydrophobicContact CB-CZ 4.11Å; S366-F383 VanDerWaalsContact CA-CD1 3.46Å; S366-F383 VanDerWaalsContact CB-CD1 3.44Å; S381-F383 VanDerWaalsContact C-N 3.26Å; S381-F383 PolarHBondContact O-N 3.21Å; F383-S386 PolarHBondContact O-N 3.49Å; F383-L387 VanDerWaalsContact O-CB 3.3Å; F383-L387 WeakPolarHBondContact O-CB 3.43Å; F383-L387 PolarHBondContact O-N 3.48Å; F383-V407 HydrophobicContact CD2-CG1 3.68Å; F383-V407 HydrophobicContact CE2-CG1 3.78Å; F383-M422 HydrophobicContact CB-CE 4.43Å; F383-P424 HydrophobicContact CD2-CB 3.94Å; F383-P424 HydrophobicContact CD2-CG 3.7Å; F383-P424 HydrophobicContact CE2-CB 3.83Å; F383-P424 HydrophobicContact CE2-CG 4.09Å
384	I	97.6	Very high	88	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-42.3	-179	-61.3	-60.9	0	0	0	111.3	D241 L245 L289 I328 Q330 S381 S386 L387 C388	D241-I384 HydrophobicContact CB-CB 4.12Å; D241-I384 HydrophobicContact CB-CG1 4.33Å; D241-I384 HydrophobicContact CB-CG2 3.84Å; L245-I384 HydrophobicContact CD1-CD1 4.46Å; L245-I384 HydrophobicContact CD1-CG2 4Å; L245-I384 HydrophobicContact CD2-CG2 4.04Å; L245-I384 HydrophobicContact CG-CG2 3.76Å; L289-I384 HydrophobicContact CD2-CD1 3.95Å; L289-I384 HydrophobicContact CD2-CG1 3.98Å; I328-I384 HydrophobicContact CG2-CD1 4.36Å; Q330-I384 HydrophobicContact CB-CD1 4.16Å; Q330-I384 HydrophobicContact CB-CG1 3.95Å; Q330-I384 HydrophobicContact CG-CG1 4.16Å; S381-I384 WeakPolarHBondContact OG-CB 3.38Å; S381-I384 WeakPolarHBondContact OG-CG1 3.32Å; S381-I384 PolarHBondContact OG-N 3.01Å; I384-S386 PolarHBondContact O-N 3.16Å; I384-L387 PolarHBondContact O-N 2.85Å; I384-C388 WeakPolarHBondContact O-CB 3.39Å; I384-C388 PolarHBondContact O-N 3.38Å; I384-C388 PolarHBondContact O-SG 3.31Å
385	G	95.9	Very high	88.7	Confident	21 Å²	21	46.7 Å²	46.7	22%	0.216	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-49	175.4	0	0	0	0	0	112	S381 L387 C388 D389	S381-G385 PolarHBondContact O-N 3.01Å; G385-L387 VanDerWaalsContact C-N 3.32Å; G385-L387 PolarHBondContact O-N 2.91Å; G385-C388 PolarHBondContact O-N 2.91Å; G385-D389 WeakPolarHBondContact O-CB 3.41Å; G385-D389 VanDerWaalsContact O-CG 3.27Å; G385-D389 PolarHBondContact O-N 3.24Å
386	S	97.1	Very high	89.3	Confident	12 Å²	12	47.5 Å²	47.5	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-34.7	178.9	-52.1	0	0	0	0	112.2	W382 F383 I384 A390 K414	W382-S386 WeakPolarHBondContact O-CB 3.35Å; W382-S386 PolarHBondContact O-N 2.78Å; W382-S386 PolarHBondContact O-OG 3.38Å; F383-S386 PolarHBondContact O-N 3.49Å; I384-S386 PolarHBondContact O-N 3.16Å; S386-A390 WeakPolarHBondContact O-CB 3.26Å; S386-A390 PolarHBondContact O-N 2.78Å; S386-K414 WeakPolarHBondContact OG-CE 3.23Å
387	L	97.8	Very high	90.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-51	173.6	175.5	64.2	0	0	0	111.6	F287 I328 F383 I384 G385 D389 A390 I391 L404 V407	F287-L387 HydrophobicContact CE1-CD2 4.19Å; I328-L387 HydrophobicContact CD1-CD2 4.07Å; I328-L387 HydrophobicContact CG2-CD2 4.02Å; F383-L387 VanDerWaalsContact O-CB 3.3Å; F383-L387 WeakPolarHBondContact O-CB 3.43Å; F383-L387 PolarHBondContact O-N 3.48Å; I384-L387 PolarHBondContact O-N 2.85Å; G385-L387 VanDerWaalsContact C-N 3.32Å; G385-L387 PolarHBondContact O-N 2.91Å; L387-D389 VanDerWaalsContact C-N 3.34Å; L387-D389 PolarHBondContact O-N 3.2Å; L387-A390 PolarHBondContact O-N 2.97Å; L387-I391 HydrophobicContact CD1-CD1 3.78Å; L387-I391 HydrophobicContact CD1-CG1 4.14Å; L387-I391 HydrophobicContact CG-CD1 3.9Å; L387-I391 WeakPolarHBondContact O-CB 3.42Å; L387-I391 VanDerWaalsContact O-CG1 3.3Å; L387-I391 WeakPolarHBondContact O-CG1 3.33Å; L387-I391 PolarHBondContact O-N 2.91Å; L387-L404 HydrophobicContact CD1-CD2 3.83Å; L387-V407 HydrophobicContact CB-CG1 4.46Å; L387-V407 HydrophobicContact CB-CG2 4.22Å; L387-V407 HydrophobicContact CD1-CG2 4.12Å
388	C	97.5	Very high	91.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-45.8	178.7	-66.9	0	0	0	0	110.9	R244 V248 I384 G385 A390 I391 D392	R244-C388 HydrophobicContact CG-CB 3.55Å; V248-C388 HydrophobicContact CG2-CB 3.89Å; I384-C388 WeakPolarHBondContact O-CB 3.39Å; I384-C388 PolarHBondContact O-N 3.38Å; I384-C388 PolarHBondContact O-SG 3.31Å; G385-C388 PolarHBondContact O-N 2.91Å; C388-A390 VanDerWaalsContact C-N 3.33Å; C388-A390 PolarHBondContact O-N 3.07Å; C388-I391 PolarHBondContact O-N 3.07Å; C388-D392 VanDerWaalsContact O-CB 3.31Å; C388-D392 WeakPolarHBondContact O-CB 3.35Å; C388-D392 PolarHBondContact O-N 2.96Å
389	D	96.4	Very high	92.8	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.332	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-34.5	178.7	-69.2	-10.2	0	0	0	113.2	R244 G385 L387 R393	R244-D389 IonicContact CZ-OD1 2.8Å; R244-D389 IonicContact NE-OD1 3.11Å; R244-D389 IonicContact NH2-OD1 3.67Å; R244-D389 PolarHBondContact NH2-OD1 3.46Å; G385-D389 WeakPolarHBondContact O-CB 3.41Å; G385-D389 VanDerWaalsContact O-CG 3.27Å; G385-D389 PolarHBondContact O-N 3.24Å; L387-D389 VanDerWaalsContact C-N 3.34Å; L387-D389 PolarHBondContact O-N 3.2Å; D389-R393 WeakPolarHBondContact O-CD 3.48Å; D389-R393 VanDerWaalsContact O-CG 3.3Å; D389-R393 WeakPolarHBondContact O-CG 3.43Å; D389-R393 PolarHBondContact O-N 3.11Å
390	A	96.4	Very high	93.7	Very high	9 Å²	9	33.8 Å²	33.8	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-71.7	-45.1	176.3	0	0	0	0	0	111.3	S386 L387 C388 D392 R393 R394 I403 I406 V407	S386-A390 WeakPolarHBondContact O-CB 3.26Å; S386-A390 PolarHBondContact O-N 2.78Å; L387-A390 PolarHBondContact O-N 2.97Å; C388-A390 VanDerWaalsContact C-N 3.33Å; C388-A390 PolarHBondContact O-N 3.07Å; A390-D392 VanDerWaalsContact C-N 3.3Å; A390-D392 PolarHBondContact O-N 3.09Å; A390-R393 PolarHBondContact O-N 2.94Å; A390-R394 VanDerWaalsContact O-CB 3.26Å; A390-R394 WeakPolarHBondContact O-CB 3.22Å; A390-R394 WeakPolarHBondContact O-CG 3.35Å; A390-R394 PolarHBondContact O-N 3.46Å; A390-I403 HydrophobicContact CB-CG2 3.78Å; A390-I406 HydrophobicContact CB-CG2 4.44Å; A390-V407 HydrophobicContact CB-CG2 3.67Å
391	I	95.8	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57	-47.7	173.7	-70.7	172.1	0	0	0	109.6	V248 F249 M252 L387 C388 R393 R394 S395 I403 F436	V248-I391 HydrophobicContact CG1-CB 4.18Å; V248-I391 HydrophobicContact CG1-CG2 3.58Å; F249-I391 HydrophobicContact CE2-CD1 4.01Å; F249-I391 HydrophobicContact CZ-CD1 3.96Å; M252-I391 HydrophobicContact CE-CG2 3.85Å; M252-I391 HydrophobicContact SD-CG2 3.63Å; L387-I391 HydrophobicContact CD1-CD1 3.78Å; L387-I391 HydrophobicContact CD1-CG1 4.14Å; L387-I391 HydrophobicContact CG-CD1 3.9Å; L387-I391 WeakPolarHBondContact O-CB 3.42Å; L387-I391 VanDerWaalsContact O-CG1 3.3Å; L387-I391 WeakPolarHBondContact O-CG1 3.33Å; L387-I391 PolarHBondContact O-N 2.91Å; C388-I391 PolarHBondContact O-N 3.07Å; I391-R393 PolarHBondContact O-N 2.79Å; I391-R393 VanDerWaalsContact O-N 3.14Å; I391-R394 PolarHBondContact O-N 2.83Å; I391-S395 WeakPolarHBondContact O-CB 3.3Å; I391-S395 PolarHBondContact O-N 2.78Å; I391-S395 PolarHBondContact O-OG 2.9Å; I391-I403 HydrophobicContact CG1-CG2 3.98Å; I391-F436 HydrophobicContact CD1-CD2 4.5Å; I391-F436 HydrophobicContact CD1-CE2 4.01Å; I391-F436 HydrophobicContact CG1-CD2 4.49Å; I391-F436 HydrophobicContact CG1-CE2 4.37Å
392	D	94.3	Very high	94.2	Very high	39 Å²	39	38.2 Å²	38.2	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-54.7	-36	-179.1	-84.4	13.1	0	0	0	113.8	R244 V248 C388 A390 R439	R244-D392 IonicContact CZ-OD2 3.94Å; R244-D392 IonicContact NH1-OD2 3.18Å; R244-D392 PolarHBondContact NH1-OD2 2.9Å; R244-D392 IonicContact NH2-OD2 3.04Å; R244-D392 PolarHBondContact NH2-OD2 2.84Å; V248-D392 WeakPolarHBondContact CG2-OD1 3.27Å; C388-D392 VanDerWaalsContact O-CB 3.31Å; C388-D392 WeakPolarHBondContact O-CB 3.35Å; C388-D392 PolarHBondContact O-N 2.96Å; A390-D392 VanDerWaalsContact C-N 3.3Å; A390-D392 PolarHBondContact O-N 3.09Å; D392-R439 IonicContact OD1-CZ 2.72Å; D392-R439 IonicContact OD1-NE 2.9Å; D392-R439 PolarHBondContact OD1-NE 2.82Å; D392-R439 IonicContact OD1-NH1 2.93Å; D392-R439 PolarHBondContact OD1-NH1 2.96Å; D392-R439 IonicContact OD1-NH2 2.92Å; D392-R439 PolarHBondContact OD1-NH2 3.44Å; D392-R439 VanDerWaalsContact OD1-NH2 3.13Å; D392-R439 IonicContact OD2-CZ 3.24Å; D392-R439 IonicContact OD2-NH1 3.45Å; D392-R439 PolarHBondContact OD2-NH1 3.42Å; D392-R439 VanDerWaalsContact OD2-NH1 3.11Å; D392-R439 IonicContact OD2-NH2 3.53Å; D392-R439 PolarHBondContact OD2-NH2 3.24Å
393	R	93.3	Very high	94.4	Very high	182 Å²	182	35.9 Å²	35.9	69%	0.687	20%	0.196	S	C	*	.	H	α-helix	trans	-93.8	-24.3	-175.7	-66.1	172.2	-169	169.9	6.9	113.5	D389 A390 I391	D389-R393 WeakPolarHBondContact O-CD 3.48Å; D389-R393 VanDerWaalsContact O-CG 3.3Å; D389-R393 WeakPolarHBondContact O-CG 3.43Å; D389-R393 PolarHBondContact O-N 3.11Å; A390-R393 PolarHBondContact O-N 2.94Å; I391-R393 PolarHBondContact O-N 2.79Å; I391-R393 VanDerWaalsContact O-N 3.14Å
394	R	92.5	Very high	94.5	Very high	114 Å²	114	36 Å²	36	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-128	-11.5	-163.3	-57.9	-57.1	-162	-149.4	-0.5	115.1	A390 I391 A396 S397 E398 I403 I406	A390-R394 VanDerWaalsContact O-CB 3.26Å; A390-R394 WeakPolarHBondContact O-CB 3.22Å; A390-R394 WeakPolarHBondContact O-CG 3.35Å; A390-R394 PolarHBondContact O-N 3.46Å; I391-R394 PolarHBondContact O-N 2.83Å; R394-A396 PolarHBondContact O-N 3.06Å; R394-S397 PolarHBondContact O-N 2.97Å; R394-S397 PolarHBondContact O-OG 3.4Å; R394-E398 HydrophobicContact CB-CB 4.17Å; R394-E398 HydrophobicContact CB-CG 4.23Å; R394-E398 WeakPolarHBondContact CD-OE1 3.27Å; R394-E398 IonicContact NE-OE1 3.53Å; R394-E398 PolarHBondContact NE-OE1 2.8Å; R394-E398 PolarHBondContact O-N 3.16Å; R394-I403 HydrophobicContact CB-CD1 4.35Å; R394-I403 HydrophobicContact CB-CG1 4.09Å; R394-I406 HydrophobicContact CG-CD1 4.21Å
395	S	89.9	Confident	94.5	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.4	-174.3	63.2	0	0	0	0	114.3	I391	I391-S395 WeakPolarHBondContact O-CB 3.3Å; I391-S395 PolarHBondContact O-N 2.78Å; I391-S395 PolarHBondContact O-OG 2.9Å
396	A	85.4	Confident	94.5	Very high	84 Å²	84	41.8 Å²	41.8	69%	0.694	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.4	179.1	0	0	0	0	0	114.4	R394	R394-A396 PolarHBondContact O-N 3.06Å
397	S	87	Confident	94.5	Very high	77 Å²	77	41.2 Å²	41.2	54%	0.538	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-18.7	-170.2	60.2	0	0	0	0	114.6	R394	R394-S397 PolarHBondContact O-N 2.97Å; R394-S397 PolarHBondContact O-OG 3.4Å
398	E	92.4	Very high	94.5	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.192	23%	0.231	C	C	.	.	S	Bend	trans	-126.1	145.8	-175.6	-62.4	-177.9	-154.1	0	0	111.1	R394 D402 I403 I406 Y435	R394-E398 HydrophobicContact CB-CB 4.17Å; R394-E398 HydrophobicContact CB-CG 4.23Å; R394-E398 WeakPolarHBondContact CD-OE1 3.27Å; R394-E398 IonicContact NE-OE1 3.53Å; R394-E398 PolarHBondContact NE-OE1 2.8Å; R394-E398 PolarHBondContact O-N 3.16Å; E398-D402 HydrophobicContact CB-CB 4.46Å; E398-I403 HydrophobicContact CB-CG1 4.01Å; E398-I406 WeakPolarHBondContact OE2-CD1 3.23Å; E398-Y435 VanDerWaalsContact C-CD1 3.48Å; E398-Y435 VanDerWaalsContact C-CE1 3.42Å; E398-Y435 WeakPolarHBondContact O-CD1 2.94Å
399	H	94.1	Very high	94.4	Very high	13 Å²	13	46.7 Å²	46.7	6%	0.06	25%	0.252	C	S	.	.			trans	-80.6	156.9	176.6	73.3	89.7	0	0	0	110.8	A401 D402 I403 H433 V434 Y435	H399-A401 VanDerWaalsContact C-N 3.28Å; H399-A401 PolarHBondContact ND1-N 3.32Å; H399-A401 PolarHBondContact O-N 3.15Å; H399-A401 VanDerWaalsContact O-N 3.11Å; H399-D402 IonicContact CD2-OD2 3.79Å; H399-D402 PolarHBondContact CD2-OD2 3.35Å; H399-D402 IonicContact CE1-OD1 2.97Å; H399-D402 IonicContact CE1-OD2 2.8Å; H399-D402 IonicContact NE2-OD1 3.11Å; H399-D402 PolarHBondContact NE2-OD1 2.93Å; H399-D402 IonicContact NE2-OD2 3.86Å; H399-D402 PolarHBondContact NE2-OD2 3.16Å; H399-D402 PolarHBondContact O-N 2.82Å; H399-I403 PolarHBondContact O-N 3.33Å; H399-H433 HydrophobicContact CB-CB 3.79Å; H399-H433 AromaticContact CD2-CD2 3.47Å; H399-H433 PolarHBondContact CD2-CD2 3.2Å; H399-H433 VanDerWaalsContact CD2-CD2 3.47Å; H399-H433 AromaticContact CD2-CE1 3.77Å; H399-H433 AromaticContact CD2-CG 3.44Å; H399-H433 VanDerWaalsContact CD2-CG 3.44Å; H399-H433 AromaticContact CD2-ND1 3.61Å; H399-H433 AromaticContact CD2-NE2 3.75Å; H399-H433 AromaticContact CE1-CE1 3.92Å; H399-H433 AromaticContact CE1-ND1 3.73Å; H399-H433 AromaticContact CG-CG 3.78Å; H399-H433 AromaticContact CG-ND1 3.97Å; H399-H433 AromaticContact NE2-CD2 3.82Å; H399-H433 AromaticContact NE2-CE1 3.3Å; H399-H433 PolarHBondContact NE2-CE1 3.41Å; H399-H433 VanDerWaalsContact NE2-CE1 3.3Å; H399-H433 AromaticContact NE2-CG 3.76Å; H399-H433 AromaticContact NE2-ND1 3.41Å; H399-H433 PolarHBondContact NE2-ND1 3.48Å; H399-H433 AromaticContact NE2-NE2 3.61Å; H399-V434 CarbonylContact C-O 3.58Å; H399-V434 VanDerWaalsContact CA-O 3.23Å; H399-V434 WeakPolarHBondContact CA-O 3.47Å; H399-V434 VanDerWaalsContact CB-O 3.3Å; H399-V434 WeakPolarHBondContact CB-O 3.21Å; H399-Y435 HydrophobicContact CB-CD1 4.31Å; H399-Y435 HydrophobicContact CB-CD2 4.24Å; H399-Y435 HydrophobicContact CB-CE1 4.09Å; H399-Y435 HydrophobicContact CB-CE2 4.02Å; H399-Y435 HydrophobicContact CB-CG 4.38Å
400	I	95.6	Very high	94.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-31.9	-169.6	-175.9	50.9	0	0	0	114.8	L326 I403 L404 F430 V434 F436	L326-I400 HydrophobicContact CD2-CG1 3.85Å; I400-I403 HydrophobicContact CD1-CB 4.22Å; I400-I403 HydrophobicContact CD1-CG2 4.27Å; I400-I403 PolarHBondContact O-N 3.37Å; I400-L404 HydrophobicContact CD1-CD1 4.32Å; I400-L404 HydrophobicContact CD1-CG 4.13Å; I400-L404 HydrophobicContact CG1-CD1 4.13Å; I400-L404 HydrophobicContact CG1-CG 4.45Å; I400-L404 WeakPolarHBondContact O-CB 3.28Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.18Å; I400-L404 PolarHBondContact O-N 3.35Å; I400-F430 HydrophobicContact CG2-CD2 4.42Å; I400-F430 HydrophobicContact CG2-CE2 3.54Å; I400-F430 HydrophobicContact CG2-CZ 4.21Å; I400-V434 HydrophobicContact CG2-CB 4.13Å; I400-V434 PolarHBondContact N-O 3.16Å; I400-F436 HydrophobicContact CB-CE2 4.19Å; I400-F436 HydrophobicContact CD1-CD2 4.21Å; I400-F436 HydrophobicContact CD1-CE2 3.4Å; I400-F436 HydrophobicContact CD1-CZ 4.07Å; I400-F436 HydrophobicContact CG1-CE2 3.82Å; I400-F436 HydrophobicContact CG1-CZ 4.08Å
401	A	94.8	Very high	94.3	Very high	22 Å²	22	47.2 Å²	47.2	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-32.8	177.6	0	0	0	0	0	112.6	L362 H399 L404 T405	L362-A401 HydrophobicContact CD1-CB 4.37Å; H399-A401 VanDerWaalsContact C-N 3.28Å; H399-A401 PolarHBondContact ND1-N 3.32Å; H399-A401 PolarHBondContact O-N 3.15Å; H399-A401 VanDerWaalsContact O-N 3.11Å; A401-L404 PolarHBondContact O-N 3.19Å; A401-T405 PolarHBondContact O-N 3.32Å; A401-T405 PolarHBondContact O-OG1 3.16Å
402	D	95.4	Very high	94.2	Very high	74 Å²	74	49 Å²	49	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-69.9	-42.9	170.7	-76	-11.2	0	0	0	111.1	E398 H399 L404 T405 I406	E398-D402 HydrophobicContact CB-CB 4.46Å; H399-D402 IonicContact CD2-OD2 3.79Å; H399-D402 PolarHBondContact CD2-OD2 3.35Å; H399-D402 IonicContact CE1-OD1 2.97Å; H399-D402 IonicContact CE1-OD2 2.8Å; H399-D402 IonicContact NE2-OD1 3.11Å; H399-D402 PolarHBondContact NE2-OD1 2.93Å; H399-D402 IonicContact NE2-OD2 3.86Å; H399-D402 PolarHBondContact NE2-OD2 3.16Å; H399-D402 PolarHBondContact O-N 2.82Å; D402-L404 VanDerWaalsContact C-N 3.26Å; D402-L404 PolarHBondContact O-N 2.74Å; D402-T405 WeakPolarHBondContact O-CA 3.31Å; D402-T405 VanDerWaalsContact O-CB 3.27Å; D402-T405 WeakPolarHBondContact O-CB 3.45Å; D402-T405 PolarHBondContact O-N 2.81Å; D402-I406 PolarHBondContact O-N 3.47Å
403	I	97.1	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-54.7	-46	173.2	-65.2	175.9	0	0	0	110	A390 I391 R394 E398 H399 I400 T405 I406 V407	A390-I403 HydrophobicContact CB-CG2 3.78Å; I391-I403 HydrophobicContact CG1-CG2 3.98Å; R394-I403 HydrophobicContact CB-CD1 4.35Å; R394-I403 HydrophobicContact CB-CG1 4.09Å; E398-I403 HydrophobicContact CB-CG1 4.01Å; H399-I403 PolarHBondContact O-N 3.33Å; I400-I403 HydrophobicContact CD1-CB 4.22Å; I400-I403 HydrophobicContact CD1-CG2 4.27Å; I400-I403 PolarHBondContact O-N 3.37Å; I403-T405 VanDerWaalsContact C-N 3.28Å; I403-T405 PolarHBondContact O-N 3.08Å; I403-I406 WeakPolarHBondContact O-CB 3.35Å; I403-I406 PolarHBondContact O-N 2.82Å; I403-I406 VanDerWaalsContact O-N 3.17Å; I403-V407 VanDerWaalsContact O-CG2 3.26Å; I403-V407 WeakPolarHBondContact O-CG2 3.41Å; I403-V407 PolarHBondContact O-N 3.39Å
404	L	97.8	Very high	94.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-27.3	177.6	-73.4	165.7	0	0	0	113.4	L362 A364 L387 I400 A401 D402 V407 T408 V426	L362-L404 HydrophobicContact CD1-CD1 3.73Å; L362-L404 HydrophobicContact CD2-CD1 3.53Å; L362-L404 HydrophobicContact CG-CD1 4.27Å; A364-L404 HydrophobicContact CB-CD1 4.11Å; A364-L404 HydrophobicContact CB-CD2 3.96Å; L387-L404 HydrophobicContact CD1-CD2 3.83Å; I400-L404 HydrophobicContact CD1-CD1 4.32Å; I400-L404 HydrophobicContact CD1-CG 4.13Å; I400-L404 HydrophobicContact CG1-CD1 4.13Å; I400-L404 HydrophobicContact CG1-CG 4.45Å; I400-L404 WeakPolarHBondContact O-CB 3.28Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.18Å; I400-L404 PolarHBondContact O-N 3.35Å; A401-L404 PolarHBondContact O-N 3.19Å; D402-L404 VanDerWaalsContact C-N 3.26Å; D402-L404 PolarHBondContact O-N 2.74Å; L404-V407 PolarHBondContact O-N 2.82Å; L404-T408 WeakPolarHBondContact O-CB 3.48Å; L404-T408 PolarHBondContact O-N 3.08Å; L404-T408 PolarHBondContact O-OG1 2.85Å; L404-V426 HydrophobicContact CB-CG2 3.85Å; L404-V426 HydrophobicContact CD1-CG1 3.99Å; L404-V426 HydrophobicContact CD1-CG2 4.23Å; L404-V426 HydrophobicContact CG-CG2 4.46Å
405	T	97.1	Very high	93.9	Very high	91 Å²	91	48.9 Å²	48.9	56%	0.558	27%	0.266	S	S	*	.	H	α-helix	trans	-67.7	-42.5	171.1	-59.4	0	0	0	0	110.7	A401 D402 I403 T408 N409	A401-T405 PolarHBondContact O-N 3.32Å; A401-T405 PolarHBondContact O-OG1 3.16Å; D402-T405 WeakPolarHBondContact O-CA 3.31Å; D402-T405 VanDerWaalsContact O-CB 3.27Å; D402-T405 WeakPolarHBondContact O-CB 3.45Å; D402-T405 PolarHBondContact O-N 2.81Å; I403-T405 VanDerWaalsContact C-N 3.28Å; I403-T405 PolarHBondContact O-N 3.08Å; T405-T408 WeakPolarHBondContact O-CB 3.4Å; T405-T408 PolarHBondContact O-N 3.18Å; T405-N409 PolarHBondContact O-N 3.27Å
406	I	96.6	Very high	93.6	Very high	52 Å²	52	49.6 Å²	49.6	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-46.6	172	-65.9	175.3	0	0	0	110.4	A390 R394 E398 D402 I403 T408 N409 E410	A390-I406 HydrophobicContact CB-CG2 4.44Å; R394-I406 HydrophobicContact CG-CD1 4.21Å; E398-I406 WeakPolarHBondContact OE2-CD1 3.23Å; D402-I406 PolarHBondContact O-N 3.47Å; I403-I406 WeakPolarHBondContact O-CB 3.35Å; I403-I406 PolarHBondContact O-N 2.82Å; I403-I406 VanDerWaalsContact O-N 3.17Å; I406-T408 VanDerWaalsContact C-N 3.25Å; I406-T408 PolarHBondContact O-N 3.06Å; I406-N409 WeakPolarHBondContact O-CB 3.3Å; I406-N409 PolarHBondContact O-N 2.83Å; I406-N409 VanDerWaalsContact O-N 3.13Å; I406-E410 HydrophobicContact CG2-CG 4.29Å; I406-E410 WeakPolarHBondContact O-CG 3.43Å; I406-E410 PolarHBondContact O-N 3.2Å
407	V	97.6	Very high	93.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-42.2	176.4	173.9	0	0	0	0	111	F383 L387 A390 I403 L404 E410 V411	F383-V407 HydrophobicContact CD2-CG1 3.68Å; F383-V407 HydrophobicContact CE2-CG1 3.78Å; L387-V407 HydrophobicContact CB-CG1 4.46Å; L387-V407 HydrophobicContact CB-CG2 4.22Å; L387-V407 HydrophobicContact CD1-CG2 4.12Å; A390-V407 HydrophobicContact CB-CG2 3.67Å; I403-V407 VanDerWaalsContact O-CG2 3.26Å; I403-V407 WeakPolarHBondContact O-CG2 3.41Å; I403-V407 PolarHBondContact O-N 3.39Å; L404-V407 PolarHBondContact O-N 2.82Å; V407-E410 PolarHBondContact O-N 3.22Å; V407-V411 HydrophobicContact CG1-CG2 4.12Å; V407-V411 WeakPolarHBondContact O-CB 3.35Å; V407-V411 VanDerWaalsContact O-CG2 3.24Å; V407-V411 WeakPolarHBondContact O-CG2 3.45Å; V407-V411 PolarHBondContact O-N 2.78Å
408	T	96.9	Very high	93.3	Very high	33 Å²	33	54.3 Å²	54.3	20%	0.202	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-45.5	177.1	-58.1	0	0	0	0	111.4	L404 T405 I406 E410 S412 V423	L404-T408 WeakPolarHBondContact O-CB 3.48Å; L404-T408 PolarHBondContact O-N 3.08Å; L404-T408 PolarHBondContact O-OG1 2.85Å; T405-T408 WeakPolarHBondContact O-CB 3.4Å; T405-T408 PolarHBondContact O-N 3.18Å; I406-T408 VanDerWaalsContact C-N 3.25Å; I406-T408 PolarHBondContact O-N 3.06Å; T408-E410 PolarHBondContact O-N 3.06Å; T408-S412 VanDerWaalsContact O-CB 3.27Å; T408-S412 WeakPolarHBondContact O-CB 3.3Å; T408-S412 PolarHBondContact O-N 3.25Å; T408-S412 PolarHBondContact O-OG 3.43Å; T408-S412 VanDerWaalsContact O-OG 3.07Å; T408-V423 HydrophobicContact CG2-CG1 4.12Å
409	N	96.6	Very high	93	Very high	81 Å²	81	58 Å²	58	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-45.3	175.6	-174.5	42.6	0	0	0	111.7	T405 I406 S412 K413	T405-N409 PolarHBondContact O-N 3.27Å; I406-N409 WeakPolarHBondContact O-CB 3.3Å; I406-N409 PolarHBondContact O-N 2.83Å; I406-N409 VanDerWaalsContact O-N 3.13Å; N409-S412 PolarHBondContact O-OG 3.38Å; N409-K413 PolarHBondContact ND2-NZ 3.19Å; N409-K413 WeakPolarHBondContact O-CG 3.5Å; N409-K413 PolarHBondContact O-N 3.21Å; N409-K413 WeakPolarHBondContact OD1-CE 3.43Å
410	E	95.8	Very high	92.5	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-70.4	-40.3	-178.1	-68.6	-54.1	111.7	0	0	112.8	I406 V407 T408 K413	I406-E410 HydrophobicContact CG2-CG 4.29Å; I406-E410 WeakPolarHBondContact O-CG 3.43Å; I406-E410 PolarHBondContact O-N 3.2Å; V407-E410 PolarHBondContact O-N 3.22Å; T408-E410 PolarHBondContact O-N 3.06Å; E410-K413 IonicContact OE1-NZ 3.13Å; E410-K413 PolarHBondContact OE1-NZ 3.02Å
411	V	94.6	Very high	92.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.8	-40.3	177.4	175.4	0	0	0	0	111.1	V407 K413 K414 M422 P424	V407-V411 HydrophobicContact CG1-CG2 4.12Å; V407-V411 WeakPolarHBondContact O-CB 3.35Å; V407-V411 VanDerWaalsContact O-CG2 3.24Å; V407-V411 WeakPolarHBondContact O-CG2 3.45Å; V407-V411 PolarHBondContact O-N 2.78Å; V411-K413 PolarHBondContact O-N 3.06Å; V411-K414 WeakPolarHBondContact O-CB 3.42Å; V411-K414 PolarHBondContact O-N 2.79Å; V411-M422 HydrophobicContact CG1-CB 3.62Å; V411-P424 HydrophobicContact CB-CG 3.81Å; V411-P424 HydrophobicContact CG1-CG 3.89Å; V411-P424 HydrophobicContact CG2-CG 4.04Å
412	S	93.6	Very high	92	Very high	39 Å²	39	62.6 Å²	62.6	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-19.4	-178.9	68.2	0	0	0	0	114.5	T408 N409 R415 M422	T408-S412 VanDerWaalsContact O-CB 3.27Å; T408-S412 WeakPolarHBondContact O-CB 3.3Å; T408-S412 PolarHBondContact O-N 3.25Å; T408-S412 PolarHBondContact O-OG 3.43Å; T408-S412 VanDerWaalsContact O-OG 3.07Å; N409-S412 PolarHBondContact O-OG 3.38Å; S412-R415 PolarHBondContact O-NH1 3.04Å; S412-M422 WeakPolarHBondContact CA-O 3.28Å
413	K	93.3	Very high	92	Very high	121 Å²	121	62 Å²	62	53%	0.526	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-18.2	174.3	-67.2	168.1	-166.6	165.6	0	113.6	N409 E410 V411	N409-K413 PolarHBondContact ND2-NZ 3.19Å; N409-K413 WeakPolarHBondContact O-CG 3.5Å; N409-K413 PolarHBondContact O-N 3.21Å; N409-K413 WeakPolarHBondContact OD1-CE 3.43Å; E410-K413 IonicContact OE1-NZ 3.13Å; E410-K413 PolarHBondContact OE1-NZ 3.02Å; V411-K413 PolarHBondContact O-N 3.06Å
414	K	91.2	Very high	91.9	Very high	78 Å²	78	62.3 Å²	62.3	34%	0.339	34%	0.338	S	S	.	.			trans	-75.2	149.5	-179.1	-64.7	170.9	-170.3	-92.1	0	110.3	W382 S386 V411	W382-K414 HydrophobicContact CB-CD 3.71Å; W382-K414 HydrophobicContact CD2-CB 3.82Å; W382-K414 HydrophobicContact CD2-CD 3.68Å; W382-K414 HydrophobicContact CD2-CG 4.36Å; W382-K414 HydrophobicContact CE3-CB 3.52Å; W382-K414 HydrophobicContact CE3-CD 4.03Å; W382-K414 HydrophobicContact CE3-CG 4.42Å; W382-K414 HydrophobicContact CG-CD 3.53Å; W382-K414 HydrophobicContact CH2-CB 4.05Å; W382-K414 HydrophobicContact CZ2-CB 4.28Å; W382-K414 HydrophobicContact CZ3-CB 3.62Å; S386-K414 WeakPolarHBondContact OG-CE 3.23Å; V411-K414 WeakPolarHBondContact O-CB 3.42Å; V411-K414 PolarHBondContact O-N 2.79Å
415	R	88.8	Confident	91.8	Very high	132 Å²	132	64.3 Å²	64.3	50%	0.498	35%	0.349	S	S	.	.			trans	-132.8	139.1	177.7	-68.8	-61.9	-177.3	-84.5	-0.7	110.9	S412 D419 E420	S412-R415 PolarHBondContact O-NH1 3.04Å; R415-D419 VanDerWaalsContact CD-OD1 3.27Å; R415-D419 WeakPolarHBondContact CD-OD1 3.32Å; R415-D419 IonicContact NE-OD1 3.29Å; R415-E420 WeakPolarHBondContact CA-O 3.27Å
416	G	83.9	Confident	91.7	Very high	20 Å²	20	62.3 Å²	62.3	21%	0.206	34%	0.337	C	S	.	.			trans	-84.3	173.8	178.3	0	0	0	0	0	110.8	N418 D419 E420	G416-N418 PolarHBondContact O-N 3.29Å; G416-D419 PolarHBondContact O-N 2.95Å; G416-E420 WeakPolarHBondContact CA-OE2 3.31Å; G416-E420 PolarHBondContact N-O 2.9Å
417	S	82.7	Confident	91.7	Very high	127 Å²	127	64.5 Å²	64.5	89%	0.888	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24	179.5	-52.3	0	0	0	0	113.2	E420	S417-E420 PolarHBondContact N-OE2 3.29Å
418	N	84.3	Confident	91.6	Very high	132 Å²	132	67.2 Å²	67.2	71%	0.706	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	32.7	175.1	-41.3	-62.8	0	0	0	111.6	G416 E420	G416-N418 PolarHBondContact O-N 3.29Å; N418-E420 VanDerWaalsContact CA-OE2 3.31Å; N418-E420 WeakPolarHBondContact CA-OE2 3.34Å; N418-E420 VanDerWaalsContact CB-CD 3.49Å; N418-E420 HydrophobicContact CB-CG 4.47Å; N418-E420 WeakPolarHBondContact CB-OE1 3.05Å; N418-E420 PolarHBondContact N-OE2 2.89Å; N418-E420 PolarHBondContact ND2-OE1 2.9Å; N418-E420 PolarHBondContact O-N 3.2Å
419	D	84.2	Confident	91.5	Very high	120 Å²	120	68.9 Å²	68.9	64%	0.642	37%	0.373	S	S	*	.	S	Bend	trans	60.1	24.4	-178.5	-160.4	37.1	0	0	0	113.9	R415 G416	R415-D419 VanDerWaalsContact CD-OD1 3.27Å; R415-D419 WeakPolarHBondContact CD-OD1 3.32Å; R415-D419 IonicContact NE-OD1 3.29Å; G416-D419 PolarHBondContact O-N 2.95Å
420	E	85.3	Confident	91.3	Very high	67 Å²	67	66.7 Å²	66.7	31%	0.313	36%	0.36	S	S	.	.			trans	-69.1	143.3	175.8	-53.4	98.6	146.7	0	0	111	L374 R415 G416 S417 N418	L374-E420 HydrophobicContact CD1-CB 3.62Å; L374-E420 HydrophobicContact CD2-CB 4.13Å; L374-E420 HydrophobicContact CD2-CG 4.48Å; L374-E420 HydrophobicContact CG-CB 4.45Å; R415-E420 WeakPolarHBondContact CA-O 3.27Å; G416-E420 WeakPolarHBondContact CA-OE2 3.31Å; G416-E420 PolarHBondContact N-O 2.9Å; S417-E420 PolarHBondContact N-OE2 3.29Å; N418-E420 VanDerWaalsContact CA-OE2 3.31Å; N418-E420 WeakPolarHBondContact CA-OE2 3.34Å; N418-E420 VanDerWaalsContact CB-CD 3.49Å; N418-E420 HydrophobicContact CB-CG 4.47Å; N418-E420 WeakPolarHBondContact CB-OE1 3.05Å; N418-E420 PolarHBondContact N-OE2 2.89Å; N418-E420 PolarHBondContact ND2-OE1 2.9Å; N418-E420 PolarHBondContact O-N 3.2Å
421	S	88.8	Confident	91	Very high	62 Å²	62	69.1 Å²	69.1	43%	0.434	37%	0.366	S	S	.	.			trans	-126.8	156.2	177.8	72.8	0	0	0	0	111.3
422	M	91.4	Very high	90.7	Very high	1 Å²	1	71 Å²	71	1%	0.005	37%	0.374	C	S	.	.			trans	-127.7	144.2	175	-70.9	172.7	65.2	0	0	110.1	S366 A373 L374 W382 F383 V411 S412	S366-M422 WeakPolarHBondContact O-CE 3.4Å; A373-M422 HydrophobicContact CB-CE 4.2Å; L374-M422 HydrophobicContact CB-CG 4.29Å; L374-M422 HydrophobicContact CB-SD 3.47Å; L374-M422 WeakPolarHBondContact CB-SD 3.46Å; L374-M422 HydrophobicContact CD1-CG 3.94Å; L374-M422 HydrophobicContact CD1-SD 4.13Å; L374-M422 HydrophobicContact CG-CG 3.96Å; L374-M422 HydrophobicContact CG-SD 3.82Å; L374-M422 PolarHBondContact N-SD 3.41Å; W382-M422 HydrophobicContact CE3-CG 4.4Å; W382-M422 HydrophobicContact CE3-SD 3.87Å; W382-M422 HydrophobicContact CZ3-SD 4.43Å; F383-M422 HydrophobicContact CB-CE 4.43Å; V411-M422 HydrophobicContact CG1-CB 3.62Å; S412-M422 WeakPolarHBondContact CA-O 3.28Å
423	V	93.9	Very high	90.7	Very high	61 Å²	61	72.1 Å²	72.1	37%	0.37	38%	0.375	S	S	.	.			trans	-131.4	104.9	173.2	-178.3	0	0	0	0	108.1	T367 V368 T408	T367-V423 CarbonylContact C-O 3.57Å; T367-V423 VanDerWaalsContact C-O 3.29Å; T367-V423 WeakPolarHBondContact CA-O 3.41Å; V368-V423 HydrophobicContact CG1-CG1 4.47Å; V368-V423 HydrophobicContact CG2-CB 4.39Å; V368-V423 PolarHBondContact N-O 3.22Å; T408-V423 HydrophobicContact CG2-CG1 4.12Å
424	P	95.8	Very high	90.7	Very high	7 Å²	7	66.4 Å²	66.4	5%	0.045	35%	0.351	C	S	.	.			trans	-54.3	147.4	175.5	-27.2	35.2	0	0	0	112.5	M365 F383 V411	M365-P424 CarbonylContact O-C 2.93Å; M365-P424 VanDerWaalsContact O-CA 3.28Å; M365-P424 WeakPolarHBondContact O-CA 3.27Å; F383-P424 HydrophobicContact CD2-CB 3.94Å; F383-P424 HydrophobicContact CD2-CG 3.7Å; F383-P424 HydrophobicContact CE2-CB 3.83Å; F383-P424 HydrophobicContact CE2-CG 4.09Å; V411-P424 HydrophobicContact CB-CG 3.81Å; V411-P424 HydrophobicContact CG1-CG 3.89Å; V411-P424 HydrophobicContact CG2-CG 4.04Å
425	N	94.9	Very high	90.8	Very high	44 Å²	44	64.7 Å²	64.7	24%	0.235	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.1	176.6	-176.7	-110	0	0	0	110.4	A364 M365 V368	A364-N425 CarbonylContact C-O 3.58Å; A364-N425 WeakPolarHBondContact CA-O 3.48Å; M365-N425 HydrophobicContact CE-CB 4.06Å; M365-N425 WeakPolarHBondContact CE-OD1 3.01Å; M365-N425 PolarHBondContact N-O 3.39Å; M365-N425 PolarHBondContact O-N 2.88Å; V368-N425 HydrophobicContact CG1-CB 3.96Å
426	V	96.4	Very high	91.1	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.297	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.1	179.9	-175	0	0	0	0	108.8	L362 R363 A364 L404	L362-V426 HydrophobicContact CD1-CG1 4.01Å; L362-V426 HydrophobicContact CD2-CG1 4.37Å; L362-V426 HydrophobicContact CG-CG1 4.16Å; R363-V426 CarbonylContact O-C 3.47Å; R363-V426 WeakPolarHBondContact O-CA 3.28Å; A364-V426 HydrophobicContact CB-CG2 4.37Å; L404-V426 HydrophobicContact CB-CG2 3.85Å; L404-V426 HydrophobicContact CD1-CG1 3.99Å; L404-V426 HydrophobicContact CD1-CG2 4.23Å; L404-V426 HydrophobicContact CG-CG2 4.46Å
427	K	96.1	Very high	91.3	Very high	97 Å²	97	57.8 Å²	57.8	42%	0.422	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.1	169.7	-64.8	-178	-176.2	174.8	0	107.8	L362 R363	L362-K427 CarbonylContact C-O 3.29Å; L362-K427 WeakPolarHBondContact CA-O 3.35Å; R363-K427 PolarHBondContact N-O 2.82Å; R363-K427 PolarHBondContact O-N 3.04Å
428	S	95.7	Very high	91.3	Very high	58 Å²	58	55.3 Å²	55.3	41%	0.406	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.9	-177.1	-176.2	0	0	0	0	111.3	M361 F430	M361-S428 WeakPolarHBondContact O-CA 3.4Å; S428-F430 WeakPolarHBondContact OG-CD2 3.31Å; S428-F430 WeakPolarHBondContact OG-CG 3.35Å; S428-F430 PolarHBondContact OG-N 3.3Å; S428-F430 VanDerWaalsContact OG-N 3.17Å
429	T	94.9	Very high	91.2	Very high	68 Å²	68	52.7 Å²	52.7	42%	0.417	27%	0.271	S	S	.	.			trans	-122.3	22.6	170.6	55.6	0	0	0	0	110.5	H358 D360 M361 R431	H358-T429 WeakPolarHBondContact O-CB 3.47Å; H358-T429 PolarHBondContact O-OG1 3.29Å; D360-T429 PolarHBondContact N-O 2.75Å; M361-T429 WeakPolarHBondContact CB-OG1 3.4Å; M361-T429 PolarHBondContact N-OG1 3.1Å; M361-T429 PolarHBondContact O-N 3.41Å; M361-T429 PolarHBondContact O-OG1 3.13Å; T429-R431 PolarHBondContact O-N 2.65Å
430	F	92.4	Very high	90.7	Very high	35 Å²	35	56 Å²	56	15%	0.154	29%	0.288	C	S	.	.			trans	-60.6	134.5	172.7	-69.9	-36.3	0	0	0	110.3	P324 L326 D360 L362 I400 S428 V434	P324-F430 HydrophobicContact CB-CE1 4Å; P324-F430 HydrophobicContact CB-CZ 4.37Å; L326-F430 HydrophobicContact CD1-CZ 4.02Å; L326-F430 HydrophobicContact CG-CZ 4.27Å; D360-F430 HydrophobicContact CB-CD1 4.13Å; D360-F430 WeakPolarHBondContact O-CE1 3.42Å; L362-F430 HydrophobicContact CB-CD2 4.32Å; L362-F430 HydrophobicContact CB-CE1 4.11Å; L362-F430 HydrophobicContact CB-CE2 3.55Å; L362-F430 HydrophobicContact CB-CZ 3.39Å; L362-F430 HydrophobicContact CD1-CD2 3.99Å; L362-F430 HydrophobicContact CD1-CE2 3.38Å; L362-F430 HydrophobicContact CD1-CZ 4.11Å; L362-F430 HydrophobicContact CG-CE2 4.08Å; L362-F430 HydrophobicContact CG-CZ 4.36Å; I400-F430 HydrophobicContact CG2-CD2 4.42Å; I400-F430 HydrophobicContact CG2-CE2 3.54Å; I400-F430 HydrophobicContact CG2-CZ 4.21Å; S428-F430 WeakPolarHBondContact OG-CD2 3.31Å; S428-F430 WeakPolarHBondContact OG-CG 3.35Å; S428-F430 PolarHBondContact OG-N 3.3Å; S428-F430 VanDerWaalsContact OG-N 3.17Å; F430-V434 HydrophobicContact CD1-CG2 3.98Å; F430-V434 HydrophobicContact CD2-CG2 4.22Å; F430-V434 HydrophobicContact CE1-CG2 4.13Å; F430-V434 HydrophobicContact CE2-CB 4.48Å; F430-V434 HydrophobicContact CE2-CG2 4.28Å; F430-V434 HydrophobicContact CG-CG2 4.1Å; F430-V434 HydrophobicContact CZ-CG2 4.27Å
431	R	89	Confident	91	Very high	133 Å²	133	55.5 Å²	55.5	50%	0.502	29%	0.287	S	S	.	.	S	Bend	trans	-89.5	-17.7	176.8	-61.7	174.9	-63.5	160.1	2.2	113.2	I359 D360 T429	I359-R431 VanDerWaalsContact CG2-CD 3.45Å; I359-R431 HydrophobicContact CG2-CG 4.02Å; D360-R431 PolarHBondContact OD1-N 2.8Å; D360-R431 IonicContact OD1-NE 3.16Å; D360-R431 PolarHBondContact OD1-NE 3.3Å; D360-R431 IonicContact OD2-CZ 3.82Å; D360-R431 IonicContact OD2-NE 2.91Å; D360-R431 PolarHBondContact OD2-NE 3.17Å; D360-R431 IonicContact OD2-NH2 2.82Å; D360-R431 PolarHBondContact OD2-NH2 3.18Å; T429-R431 PolarHBondContact O-N 2.65Å
432	Q	88.1	Confident	91.1	Very high	40 Å²	40	55.2 Å²	55.2	19%	0.187	28%	0.279	C	S	.	.	S	Bend	trans	-145.2	163.2	-174.5	49.7	179	-18	0	0	109.9	D195 L197	D195-Q432 HydrophobicContact CB-CB 4.27Å; D195-Q432 WeakPolarHBondContact O-CA 3.48Å; D195-Q432 WeakPolarHBondContact O-CB 3.42Å; D195-Q432 PolarHBondContact OD1-OE1 3.38Å; L197-Q432 HydrophobicContact CB-CG 4.31Å
433	H	93.4	Very high	91	Very high	63 Å²	63	58.2 Å²	58.2	29%	0.292	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.9	174.1	-70.8	-7.5	0	0	0	110.5	I194 D195 A196 L197 H399 Y435	I194-H433 HydrophobicContact CG2-CB 4.06Å; I194-H433 WeakPolarHBondContact CG2-CD2 3.46Å; D195-H433 PolarHBondContact O-N 3.22Å; A196-H433 CarbonylContact C-O 3.58Å; A196-H433 VanDerWaalsContact CA-O 3.27Å; A196-H433 WeakPolarHBondContact CA-O 3.43Å; A196-H433 HydrophobicContact CB-CB 4.12Å; L197-H433 PolarHBondContact N-O 2.75Å; H399-H433 HydrophobicContact CB-CB 3.79Å; H399-H433 AromaticContact CD2-CD2 3.47Å; H399-H433 PolarHBondContact CD2-CD2 3.2Å; H399-H433 VanDerWaalsContact CD2-CD2 3.47Å; H399-H433 AromaticContact CD2-CE1 3.77Å; H399-H433 AromaticContact CD2-CG 3.44Å; H399-H433 VanDerWaalsContact CD2-CG 3.44Å; H399-H433 AromaticContact CD2-ND1 3.61Å; H399-H433 AromaticContact CD2-NE2 3.75Å; H399-H433 AromaticContact CE1-CE1 3.92Å; H399-H433 AromaticContact CE1-ND1 3.73Å; H399-H433 AromaticContact CG-CG 3.78Å; H399-H433 AromaticContact CG-ND1 3.97Å; H399-H433 AromaticContact NE2-CD2 3.82Å; H399-H433 AromaticContact NE2-CE1 3.3Å; H399-H433 PolarHBondContact NE2-CE1 3.41Å; H399-H433 VanDerWaalsContact NE2-CE1 3.3Å; H399-H433 AromaticContact NE2-CG 3.76Å; H399-H433 AromaticContact NE2-ND1 3.41Å; H399-H433 PolarHBondContact NE2-ND1 3.48Å; H399-H433 AromaticContact NE2-NE2 3.61Å; H433-Y435 HydrophobicContact CB-CD2 4.34Å; H433-Y435 HydrophobicContact CB-CE2 3.58Å
434	V	93.2	Very high	90.9	Very high	1 Å²	1	58 Å²	58	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.7	179.3	-179.3	0	0	0	0	109.6	L197 L199 P324 H399 I400 F430	L197-V434 HydrophobicContact CB-CG2 4.42Å; L197-V434 WeakPolarHBondContact O-CA 3.41Å; L199-V434 HydrophobicContact CD1-CG1 4.18Å; L199-V434 HydrophobicContact CG-CG1 4.42Å; P324-V434 HydrophobicContact CB-CG1 3.97Å; P324-V434 HydrophobicContact CB-CG2 4.42Å; P324-V434 HydrophobicContact CG-CB 4.43Å; P324-V434 HydrophobicContact CG-CG1 3.6Å; P324-V434 HydrophobicContact CG-CG2 3.91Å; H399-V434 CarbonylContact C-O 3.58Å; H399-V434 VanDerWaalsContact CA-O 3.23Å; H399-V434 WeakPolarHBondContact CA-O 3.47Å; H399-V434 VanDerWaalsContact CB-O 3.3Å; H399-V434 WeakPolarHBondContact CB-O 3.21Å; I400-V434 HydrophobicContact CG2-CB 4.13Å; I400-V434 PolarHBondContact N-O 3.16Å; F430-V434 HydrophobicContact CD1-CG2 3.98Å; F430-V434 HydrophobicContact CD2-CG2 4.22Å; F430-V434 HydrophobicContact CE1-CG2 4.13Å; F430-V434 HydrophobicContact CE2-CB 4.48Å; F430-V434 HydrophobicContact CE2-CG2 4.28Å; F430-V434 HydrophobicContact CG-CG2 4.1Å; F430-V434 HydrophobicContact CZ-CG2 4.27Å
435	Y	94.1	Very high	90.6	Very high	42 Å²	42	61.2 Å²	61.2	17%	0.165	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.1	179.2	-65	-96.3	0	0	0	110	A196 L197 K198 L199 E398 H399 H433	A196-Y435 HydrophobicContact CB-CD2 4.17Å; A196-Y435 HydrophobicContact CB-CE2 3.77Å; L197-Y435 PolarHBondContact O-N 3.31Å; K198-Y435 HydrophobicContact CG-CD2 4.27Å; L199-Y435 WeakPolarHBondContact CB-O 3.27Å; L199-Y435 WeakPolarHBondContact CG-O 3.43Å; L199-Y435 PolarHBondContact N-O 3.26Å; E398-Y435 VanDerWaalsContact C-CD1 3.48Å; E398-Y435 VanDerWaalsContact C-CE1 3.42Å; E398-Y435 WeakPolarHBondContact O-CD1 2.94Å; H399-Y435 HydrophobicContact CB-CD1 4.31Å; H399-Y435 HydrophobicContact CB-CD2 4.24Å; H399-Y435 HydrophobicContact CB-CE1 4.09Å; H399-Y435 HydrophobicContact CB-CE2 4.02Å; H399-Y435 HydrophobicContact CB-CG 4.38Å; H433-Y435 HydrophobicContact CB-CD2 4.34Å; H433-Y435 HydrophobicContact CB-CE2 3.58Å
436	F	93.8	Very high	90.3	Very high	7 Å²	7	62.3 Å²	62.3	3%	0.031	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-68.8	158.2	172.3	-77.7	-48.6	0	0	0	111.1	L199 F249 M252 Y254 V285 L326 I391 I400	L199-F436 HydrophobicContact CD1-CD1 3.95Å; L199-F436 HydrophobicContact CD1-CE1 4.42Å; F249-F436 HydrophobicContact CE1-CE1 4.21Å; F249-F436 HydrophobicContact CE1-CZ 4.02Å; F249-F436 HydrophobicContact CZ-CE2 4.35Å; F249-F436 HydrophobicContact CZ-CZ 4.13Å; M252-F436 HydrophobicContact CE-CD2 4.47Å; M252-F436 HydrophobicContact CE-CG 4.41Å; M252-F436 HydrophobicContact SD-CB 3.77Å; M252-F436 HydrophobicContact SD-CD2 4.37Å; M252-F436 HydrophobicContact SD-CG 4.13Å; Y254-F436 HydrophobicContact CE2-CD1 4.1Å; Y254-F436 HydrophobicContact CE2-CE1 4.36Å; Y254-F436 VanDerWaalsContact OH-CD1 3.28Å; Y254-F436 WeakPolarHBondContact OH-CD1 3.15Å; Y254-F436 WeakPolarHBondContact OH-CE1 3.42Å; V285-F436 HydrophobicContact CG2-CE1 4.4Å; L326-F436 HydrophobicContact CD2-CE1 4.31Å; L326-F436 HydrophobicContact CD2-CZ 3.74Å; I391-F436 HydrophobicContact CD1-CD2 4.5Å; I391-F436 HydrophobicContact CD1-CE2 4.01Å; I391-F436 HydrophobicContact CG1-CD2 4.49Å; I391-F436 HydrophobicContact CG1-CE2 4.37Å; I400-F436 HydrophobicContact CB-CE2 4.19Å; I400-F436 HydrophobicContact CD1-CD2 4.21Å; I400-F436 HydrophobicContact CD1-CE2 3.4Å; I400-F436 HydrophobicContact CD1-CZ 4.07Å; I400-F436 HydrophobicContact CG1-CE2 3.82Å; I400-F436 HydrophobicContact CG1-CZ 4.08Å
437	P	89.3	Confident	89.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-62.7	152.5	175.3	-17.1	30.7	0	0	0	111.6	L199 T200 R201 A204 M252	L199-P437 HydrophobicContact CB-CG 3.83Å; L199-P437 WeakPolarHBondContact O-CA 3.16Å; T200-P437 WeakPolarHBondContact O-CG 3.46Å; R201-P437 HydrophobicContact CB-CB 4.38Å; R201-P437 HydrophobicContact CG-CB 3.55Å; A204-P437 HydrophobicContact CB-CG 3.72Å; M252-P437 HydrophobicContact CB-CB 4.47Å; M252-P437 WeakPolarHBondContact O-CB 3.35Å; M252-P437 WeakPolarHBondContact O-CG 3.43Å
438	P	82.2	Confident	89.4	Confident	74 Å²	74	60.7 Å²	60.7	48%	0.481	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-62	150.9	170.9	26.6	-32.5	0	0	0	110.9	R201	R201-P438 WeakPolarHBondContact CD-O 3.4Å; R201-P438 HydrophobicContact CG-CG 4.45Å; R201-P438 PolarHBondContact NE-O 2.75Å; R201-P438 VanDerWaalsContact NE-O 3.16Å
439	R	82.3	Confident	88.8	Confident	78 Å²	78	60.9 Å²	60.9	29%	0.294	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-84.4	156.4	177.8	-60.9	177.7	67.1	-155.7	12.1	111	S251 M252 D392	S251-R439 PolarHBondContact OG-NE 2.77Å; M252-R439 HydrophobicContact CG-CG 3.64Å; D392-R439 IonicContact OD1-CZ 2.72Å; D392-R439 IonicContact OD1-NE 2.9Å; D392-R439 PolarHBondContact OD1-NE 2.82Å; D392-R439 IonicContact OD1-NH1 2.93Å; D392-R439 PolarHBondContact OD1-NH1 2.96Å; D392-R439 IonicContact OD1-NH2 2.92Å; D392-R439 PolarHBondContact OD1-NH2 3.44Å; D392-R439 VanDerWaalsContact OD1-NH2 3.13Å; D392-R439 IonicContact OD2-CZ 3.24Å; D392-R439 IonicContact OD2-NH1 3.45Å; D392-R439 PolarHBondContact OD2-NH1 3.42Å; D392-R439 VanDerWaalsContact OD2-NH1 3.11Å; D392-R439 IonicContact OD2-NH2 3.53Å; D392-R439 PolarHBondContact OD2-NH2 3.24Å
440	L	73.4	Confident	88.3	Confident	190 Å²	190	60.3 Å²	60.3	100%	0.995	28%	0.282	S	S	*	.			trans	-80.1	0	166.4	-86.8	167.8	0	0	0	112.5	S251	S251-L440 PolarHBondContact O-N 3.27Å

Retrieved 440 of 440 residues in 102.9 ms (Link to these results)

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