X5M8S5_CAEEL Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession X5M8S5, Species CAEEL (Caenorhabditis elegans), Gene exc-5, Length 759 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	39.6	Very low	31.7	Very low	249 Å²	249	167.8 Å²	167.8	100%	1.227	81%	0.813	S	S	*	*				0	124.7	0	-76.2	179.8	-90.8	0	0	106.2
2	E	33	Very low	31.9	Very low	199 Å²	199	162.8 Å²	162.8	93%	0.93	79%	0.791	S	S	*	*			trans	-77.7	161.1	-178.6	-69.6	169.6	112.2	0	0	111.4
3	E	38.3	Very low	32.2	Very low	154 Å²	154	161.7 Å²	161.7	72%	0.72	78%	0.78	S	S	*	*			trans	-70.3	153.3	176	-59.7	177.5	71.9	0	0	112.4	T5	E3-T5 WeakPolarHBondContact CB-OG1 3.33Å; E3-T5 WeakPolarHBondContact OE1-CG2 3.32Å; E3-T5 PolarHBondContact OE1-OG1 2.88Å
4	L	28.9	Very low	32.6	Very low	176 Å²	176	156.5 Å²	156.5	92%	0.921	75%	0.752	S	S	*	*			trans	-129.8	64.6	154.1	-109.7	166.3	0	0	0	109.6	K6	L4-K6 PolarHBondContact O-N 2.97Å
5	T	31.2	Very low	32.9	Very low	93 Å²	93	151.9 Å²	151.9	57%	0.571	73%	0.733	S	S	*	*			trans	-66.4	83.6	-173.4	-4.5	0	0	0	0	112.1	E3 T7	E3-T5 WeakPolarHBondContact CB-OG1 3.33Å; E3-T5 WeakPolarHBondContact OE1-CG2 3.32Å; E3-T5 PolarHBondContact OE1-OG1 2.88Å; T5-T7 VanDerWaalsContact C-N 3.29Å; T5-T7 PolarHBondContact O-N 3.27Å; T5-T7 PolarHBondContact O-OG1 3.08Å
6	K	28	Very low	32.8	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.857	71%	0.714	S	S	*	*			trans	-75.1	77.4	-176.1	-151	174.5	-170.3	179	0	112.1	L4 V8	L4-K6 PolarHBondContact O-N 2.97Å; K6-V8 PolarHBondContact O-N 2.65Å; K6-V8 VanDerWaalsContact O-N 3.12Å
7	T	28.6	Very low	33	Very low	106 Å²	106	143.5 Å²	143.5	65%	0.65	71%	0.708	S	S	*	*			trans	-69.1	102	-172.1	-58.4	0	0	0	0	112.5	T5 R9	T5-T7 VanDerWaalsContact C-N 3.29Å; T5-T7 PolarHBondContact O-N 3.27Å; T5-T7 PolarHBondContact O-OG1 3.08Å; T7-R9 HydrophobicContact CG2-CG 4.3Å
8	V	28.5	Very low	33.2	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	70%	0.695	S	S	*	*			trans	-87.9	111.8	172.2	-178.8	0	0	0	0	110.2	K6	K6-V8 PolarHBondContact O-N 2.65Å; K6-V8 VanDerWaalsContact O-N 3.12Å
9	R	28.6	Very low	33.4	Very low	224 Å²	224	137.7 Å²	137.7	85%	0.845	68%	0.682	S	S	*	*			trans	-96.4	105.7	171.7	-70.4	-179.8	176.9	162.5	-0.2	110.5	T7	T7-R9 HydrophobicContact CG2-CG 4.3Å
10	Q	32.8	Very low	33.6	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.813	68%	0.679	S	S	*	*			trans	-77.2	135.5	161.8	-75.8	-172.1	-14	0	0	110.2
11	K	31	Very low	33.9	Very low	146 Å²	146	137.5 Å²	137.5	64%	0.635	67%	0.673	S	S	*	*			trans	-101.5	106.5	171.6	-80.1	-172.6	168.4	-137.1	0	109.4	K13 D42	K11-K13 PolarHBondContact O-N 2.8Å; K11-D42 WeakPolarHBondContact CD-OD2 3.49Å; K11-D42 VanDerWaalsContact CE-OD2 3.24Å; K11-D42 WeakPolarHBondContact CE-OD2 3.36Å; K11-D42 IonicContact NZ-OD2 3.18Å; K11-D42 PolarHBondContact NZ-OD2 2.59Å
12	I	34.3	Very low	34	Very low	108 Å²	108	128.7 Å²	128.7	55%	0.554	64%	0.636	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.6	102.3	169	-58.5	177	0	0	0	107.3	D42 I43	I12-D42 WeakPolarHBondContact O-CA 3.26Å; I12-I43 PolarHBondContact O-N 2.92Å
13	K	35.4	Very low	34.4	Very low	148 Å²	148	124.4 Å²	124.4	64%	0.643	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.6	123.2	167.9	-71.6	-173.9	176.6	-174.6	0	109.7	K11 G41	K11-K13 PolarHBondContact O-N 2.8Å; K13-G41 WeakPolarHBondContact CA-O 3.29Å
14	F	38.3	Very low	34.6	Very low	89 Å²	89	124.1 Å²	124.1	39%	0.39	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	163.3	160.3	69.5	-93.7	0	0	0	110.5	I39 S40 G41	F14-I39 HydrophobicContact CE2-CG2 4.03Å; F14-I39 HydrophobicContact CZ-CG2 4.4Å; F14-S40 WeakPolarHBondContact O-CA 3.31Å; F14-S40 WeakPolarHBondContact O-CB 3.43Å; F14-G41 WeakPolarHBondContact CD1-O 3.43Å; F14-G41 WeakPolarHBondContact CE1-O 3.2Å; F14-G41 PolarHBondContact N-O 2.97Å
15	D	36.6	Very low	35.3	Very low	88 Å²	88	121.1 Å²	121.1	47%	0.471	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.2	116.9	178.3	-175.8	24	0	0	0	108.5	R38 I39	D15-R38 VanDerWaalsContact CG-NE 3.34Å; D15-R38 WeakPolarHBondContact OD1-CD 3.38Å; D15-R38 WeakPolarHBondContact OD1-CG 3.36Å; D15-R38 IonicContact OD1-CZ 2.66Å; D15-R38 IonicContact OD1-NE 2.66Å; D15-R38 PolarHBondContact OD1-NE 3.26Å; D15-R38 IonicContact OD1-NH2 3.27Å; D15-R38 IonicContact OD2-CZ 2.67Å; D15-R38 VanDerWaalsContact OD2-CZ 3.27Å; D15-R38 IonicContact OD2-NE 3.74Å; D15-R38 PolarHBondContact OD2-NE 2.91Å; D15-R38 VanDerWaalsContact OD2-NE 3.08Å; D15-R38 IonicContact OD2-NH2 3.89Å; D15-R38 PolarHBondContact OD2-NH2 3.48Å; D15-I39 WeakPolarHBondContact CA-O 3.33Å
16	C	32.3	Very low	35.9	Very low	62 Å²	62	122.5 Å²	122.5	42%	0.419	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.2	157.5	179	74.5	0	0	0	0	112.4	R38 I39	C16-R38 CarbonylContact O-C 3.58Å; C16-R38 WeakPolarHBondContact O-CA 3.39Å; C16-I39 PolarHBondContact N-O 2.99Å; C16-I39 PolarHBondContact O-N 2.66Å
17	T	35.3	Very low	37.6	Very low	99 Å²	99	116.6 Å²	116.6	61%	0.607	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.7	112.5	178.5	-51.8	0	0	0	0	109.7
18	Q	36.6	Very low	38.4	Very low	103 Å²	103	117.2 Å²	117.2	48%	0.481	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89	121.2	169.5	-175	-177.2	35.2	0	0	109.1	S36 Q37 I39	Q18-S36 CarbonylContact O-C 3.4Å; Q18-S36 WeakPolarHBondContact O-CA 3.27Å; Q18-Q37 PolarHBondContact N-O 2.8Å; Q18-Q37 PolarHBondContact O-N 2.67Å; Q18-I39 HydrophobicContact CB-CD1 3.83Å
19	T	36.2	Very low	38.7	Very low	73 Å²	73	118.3 Å²	118.3	45%	0.448	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.6	119	173.8	-56.1	0	0	0	0	110	E34 S36	T19-E34 HydrophobicContact CG2-CG 3.62Å; T19-E34 WeakPolarHBondContact CG2-OE1 3.41Å; T19-S36 PolarHBondContact OG1-OG 3.18Å
20	M	37.4	Very low	39.2	Very low	126 Å²	126	110.2 Å²	110.2	62%	0.621	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.1	130.7	169.5	-75.1	-179.1	62.1	0	0	110	K35	M20-K35 PolarHBondContact N-O 2.82Å; M20-K35 PolarHBondContact O-N 2.87Å
21	R	41.1	Very low	39.5	Very low	145 Å²	145	106.1 Å²	106.1	55%	0.547	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.9	119	175.7	-161.2	179.8	-122.1	-149	-0.3	109.5	V32 E34	R21-V32 HydrophobicContact CG-CG1 3.7Å; R21-E34 HydrophobicContact CB-CG 4.44Å; R21-E34 HydrophobicContact CG-CB 4.36Å; R21-E34 HydrophobicContact CG-CG 4.29Å; R21-E34 IonicContact CZ-OE2 2.66Å; R21-E34 IonicContact NE-OE2 3.52Å; R21-E34 PolarHBondContact NE-OE2 2.76Å; R21-E34 IonicContact NH2-OE2 3.86Å; R21-E34 PolarHBondContact NH2-OE2 3.27Å
22	S	41.2	Very low	40.1	Very low	64 Å²	64	102.2 Å²	102.2	45%	0.448	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114	126.5	179.9	-176.6	0	0	0	0	109.8	V33	S22-V33 PolarHBondContact N-O 2.9Å; S22-V33 PolarHBondContact O-N 2.91Å
23	L	42.2	Very low	40.4	Very low	109 Å²	109	100.9 Å²	100.9	57%	0.571	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.9	165.1	-102.5	80	0	0	0	109.7	A30 V32	L23-A30 HydrophobicContact CD2-CB 4.16Å; L23-V32 HydrophobicContact CD1-CB 4.46Å; L23-V32 HydrophobicContact CD1-CG1 4.1Å; L23-V32 HydrophobicContact CD1-CG2 3.85Å; L23-V32 HydrophobicContact CG-CG2 4.08Å
24	K	41.1	Very low	40.6	Very low	149 Å²	149	98.5 Å²	98.5	65%	0.648	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	120	158	-85.9	-170.1	169.8	-173.3	0	109.6	N31	K24-N31 PolarHBondContact N-O 2.78Å; K24-N31 WeakPolarHBondContact O-CA 3.3Å; K24-N31 VanDerWaalsContact O-CB 3.32Å; K24-N31 WeakPolarHBondContact O-CB 3.24Å; K24-N31 PolarHBondContact O-N 3.17Å
25	M	44.7	Very low	40.5	Very low	113 Å²	113	101.4 Å²	101.4	56%	0.557	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.7	134.4	167.7	-57.4	-53.3	-61.7	0	0	109.3	E29 A30	M25-E29 WeakPolarHBondContact CA-O 3.35Å; M25-A30 HydrophobicContact CE-CB 3.97Å; M25-A30 HydrophobicContact SD-CB 3.58Å; M25-A30 VanDerWaalsContact SD-CB 3.58Å
26	I	44.1	Very low	40.6	Very low	122 Å²	122	100.8 Å²	100.8	63%	0.626	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.7	101.4	168.9	-57.3	-179.5	0	0	0	106.4	E29	I26-E29 PolarHBondContact N-O 3.12Å; I26-E29 PolarHBondContact O-N 2.81Å
27	G	62.5	Low	40.7	Very low	72 Å²	72	104 Å²	104	74%	0.742	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.4	-134.7	-166.3	0	0	0	0	0	111.3	E29	G27-E29 VanDerWaalsContact C-N 3.32Å
28	S	45.5	Very low	40.9	Very low	120 Å²	120	108 Å²	108	84%	0.839	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-6.8	179.6	48.6	0	0	0	0	114.8
29	E	34.6	Very low	40.9	Very low	151 Å²	151	106.1 Å²	106.1	71%	0.706	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.4	141.2	-174.4	-65.4	-168.6	160.8	0	0	113.2	M25 I26 G27	M25-E29 WeakPolarHBondContact CA-O 3.35Å; I26-E29 PolarHBondContact N-O 3.12Å; I26-E29 PolarHBondContact O-N 2.81Å; G27-E29 VanDerWaalsContact C-N 3.32Å
30	A	40.9	Very low	40.8	Very low	54 Å²	54	106.4 Å²	106.4	45%	0.446	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	103	-178.9	0	0	0	0	0	110.9	L23 M25 V32	L23-A30 HydrophobicContact CD2-CB 4.16Å; M25-A30 HydrophobicContact CE-CB 3.97Å; M25-A30 HydrophobicContact SD-CB 3.58Å; M25-A30 VanDerWaalsContact SD-CB 3.58Å; A30-V32 PolarHBondContact O-N 3.45Å
31	N	37.9	Very low	40.7	Very low	88 Å²	88	101.6 Å²	101.6	47%	0.471	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108	175.1	-157.9	-53	0	0	0	109.7	K24	K24-N31 PolarHBondContact N-O 2.78Å; K24-N31 WeakPolarHBondContact O-CA 3.3Å; K24-N31 VanDerWaalsContact O-CB 3.32Å; K24-N31 WeakPolarHBondContact O-CB 3.24Å; K24-N31 PolarHBondContact O-N 3.17Å
32	V	43.3	Very low	40.6	Very low	64 Å²	64	98 Å²	98	39%	0.388	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	103.3	-177.9	-172.2	0	0	0	0	109.7	R21 L23 A30	R21-V32 HydrophobicContact CG-CG1 3.7Å; L23-V32 HydrophobicContact CD1-CB 4.46Å; L23-V32 HydrophobicContact CD1-CG1 4.1Å; L23-V32 HydrophobicContact CD1-CG2 3.85Å; L23-V32 HydrophobicContact CG-CG2 4.08Å; A30-V32 PolarHBondContact O-N 3.45Å
33	V	41.3	Very low	40.4	Very low	79 Å²	79	100.4 Å²	100.4	48%	0.479	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	104.8	176	-177.1	0	0	0	0	109.2	S22	S22-V33 PolarHBondContact N-O 2.9Å; S22-V33 PolarHBondContact O-N 2.91Å
34	E	39	Very low	39.9	Very low	98 Å²	98	105 Å²	105	46%	0.458	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	126	174.6	-163.9	164.9	160.6	0	0	109.9	T19 R21	T19-E34 HydrophobicContact CG2-CG 3.62Å; T19-E34 WeakPolarHBondContact CG2-OE1 3.41Å; R21-E34 HydrophobicContact CB-CG 4.44Å; R21-E34 HydrophobicContact CG-CB 4.36Å; R21-E34 HydrophobicContact CG-CG 4.29Å; R21-E34 IonicContact CZ-OE2 2.66Å; R21-E34 IonicContact NE-OE2 3.52Å; R21-E34 PolarHBondContact NE-OE2 2.76Å; R21-E34 IonicContact NH2-OE2 3.86Å; R21-E34 PolarHBondContact NH2-OE2 3.27Å
35	K	36.7	Very low	39.5	Very low	150 Å²	150	101.8 Å²	101.8	65%	0.652	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.6	111.1	-173.1	-164.1	176	-174.1	-178.8	0	110.3	M20	M20-K35 PolarHBondContact N-O 2.82Å; M20-K35 PolarHBondContact O-N 2.87Å
36	S	38.4	Very low	38.8	Very low	75 Å²	75	104.9 Å²	104.9	52%	0.524	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	127.9	179.5	-48.9	0	0	0	0	110.9	Q18 T19	Q18-S36 CarbonylContact O-C 3.4Å; Q18-S36 WeakPolarHBondContact O-CA 3.27Å; T19-S36 PolarHBondContact OG1-OG 3.18Å
37	Q	35.8	Very low	38.1	Very low	131 Å²	131	108.3 Å²	108.3	61%	0.612	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.7	138	178.3	-176.4	166.4	-14.6	0	0	110.9	Q18	Q18-Q37 PolarHBondContact N-O 2.8Å; Q18-Q37 PolarHBondContact O-N 2.67Å
38	R	38.5	Very low	36.5	Very low	181 Å²	181	110.7 Å²	110.7	68%	0.683	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.2	130	179.4	-169.6	176.6	-179.9	-177.1	1.5	110.1	D15 C16	D15-R38 VanDerWaalsContact CG-NE 3.34Å; D15-R38 WeakPolarHBondContact OD1-CD 3.38Å; D15-R38 WeakPolarHBondContact OD1-CG 3.36Å; D15-R38 IonicContact OD1-CZ 2.66Å; D15-R38 IonicContact OD1-NE 2.66Å; D15-R38 PolarHBondContact OD1-NE 3.26Å; D15-R38 IonicContact OD1-NH2 3.27Å; D15-R38 IonicContact OD2-CZ 2.67Å; D15-R38 VanDerWaalsContact OD2-CZ 3.27Å; D15-R38 IonicContact OD2-NE 3.74Å; D15-R38 PolarHBondContact OD2-NE 2.91Å; D15-R38 VanDerWaalsContact OD2-NE 3.08Å; D15-R38 IonicContact OD2-NH2 3.89Å; D15-R38 PolarHBondContact OD2-NH2 3.48Å; C16-R38 CarbonylContact O-C 3.58Å; C16-R38 WeakPolarHBondContact O-CA 3.39Å
39	I	35.9	Very low	35.8	Very low	64 Å²	64	111.6 Å²	111.6	33%	0.328	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	135.2	-176	-52.8	179.2	0	0	0	109.1	F14 D15 C16 Q18	F14-I39 HydrophobicContact CE2-CG2 4.03Å; F14-I39 HydrophobicContact CZ-CG2 4.4Å; D15-I39 WeakPolarHBondContact CA-O 3.33Å; C16-I39 PolarHBondContact N-O 2.99Å; C16-I39 PolarHBondContact O-N 2.66Å; Q18-I39 HydrophobicContact CB-CD1 3.83Å
40	S	34.4	Very low	35.3	Very low	79 Å²	79	113.4 Å²	113.4	55%	0.552	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-144.7	149	174.6	58.6	0	0	0	0	111.9	F14	F14-S40 WeakPolarHBondContact O-CA 3.31Å; F14-S40 WeakPolarHBondContact O-CB 3.43Å
41	G	36.6	Very low	34.9	Very low	25 Å²	25	119 Å²	119	26%	0.258	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-168.6	166.4	-178.4	0	0	0	0	0	112.8	K13 F14	K13-G41 WeakPolarHBondContact CA-O 3.29Å; F14-G41 WeakPolarHBondContact CD1-O 3.43Å; F14-G41 WeakPolarHBondContact CE1-O 3.2Å; F14-G41 PolarHBondContact N-O 2.97Å
42	D	38.7	Very low	34.4	Very low	70 Å²	70	119.9 Å²	119.9	37%	0.374	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	136.8	-177.5	-61.3	-38.5	0	0	0	112.3	K11 I12	K11-D42 WeakPolarHBondContact CD-OD2 3.49Å; K11-D42 VanDerWaalsContact CE-OD2 3.24Å; K11-D42 WeakPolarHBondContact CE-OD2 3.36Å; K11-D42 IonicContact NZ-OD2 3.18Å; K11-D42 PolarHBondContact NZ-OD2 2.59Å; I12-D42 WeakPolarHBondContact O-CA 3.26Å
43	I	36.9	Very low	33.8	Very low	114 Å²	114	124.2 Å²	124.2	59%	0.585	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.5	142.1	167	-60.9	175.4	0	0	0	110.2	I12	I12-I43 PolarHBondContact O-N 2.92Å
44	K	31.8	Very low	33.6	Very low	205 Å²	205	128.9 Å²	128.9	89%	0.891	67%	0.674	S	S	*	*			trans	-118.5	136.8	172	-64.8	177.1	-178.7	172.8	0	109.5
45	G	32.5	Very low	33.2	Very low	82 Å²	82	129.1 Å²	129.1	85%	0.845	69%	0.686	S	S	*	*			trans	169.4	-20.4	170.4	0	0	0	0	0	119.1
46	M	29.4	Very low	33.4	Very low	179 Å²	179	131.7 Å²	131.7	88%	0.882	70%	0.697	S	S	*	*			trans	-104	143.7	-172.2	-70.4	-177.8	167.6	0	0	114.4
47	K	30.3	Very low	33	Very low	194 Å²	194	136.5 Å²	136.5	84%	0.843	71%	0.711	S	S	*	*			trans	-106.2	160	166.4	-96.8	-170.2	173.9	-173.3	0	110.3
48	P	29	Very low	32.7	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-73.3	157.2	172.1	32.6	-35.4	0	0	0	112.1
49	I	29.8	Very low	32.2	Very low	140 Å²	140	132.3 Å²	132.3	72%	0.718	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-89.2	137.1	175.7	-62.4	168.7	0	0	0	109.3
50	E	25.3	Very low	31.9	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.883	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-91.8	140.4	168.3	-66.6	-172.7	170.5	0	0	110.7
51	F	31	Very low	32	Very low	172 Å²	172	137.5 Å²	137.5	75%	0.754	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-99.7	127.7	-178	-66.2	-86.4	0	0	0	111.3
52	S	28.7	Very low	31.9	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	74%	0.74	S	S	*	*			trans	-112.9	116.7	168.3	57	0	0	0	0	111.7
53	N	29.4	Very low	31.9	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	76%	0.761	S	S	*	*	S	Bend	trans	70	151.4	170.5	-63.1	-37.7	0	0	0	119.6	S55	N53-S55 PolarHBondContact O-N 2.85Å; N53-S55 VanDerWaalsContact O-N 3.17Å
54	N	37.6	Very low	32	Very low	177 Å²	177	144.2 Å²	144.2	95%	0.947	76%	0.762	S	S	*	*			trans	-87.4	68.4	-169.5	-76.4	-44.1	0	0	0	113.6
55	S	30.2	Very low	32.5	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	74%	0.742	S	S	*	*			trans	-92.3	129.6	161.9	46.3	0	0	0	0	110.7	N53	N53-S55 PolarHBondContact O-N 2.85Å; N53-S55 VanDerWaalsContact O-N 3.17Å
56	K	41.2	Very low	33	Very low	204 Å²	204	144.3 Å²	144.3	89%	0.887	75%	0.745	S	S	*	*			trans	-76.8	155	171	-69.8	179.1	178.9	177	0	109.6
57	Q	30.6	Very low	33.9	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	72%	0.717	S	S	*	*			trans	74.6	102.3	173.5	-163.6	172.6	6	0	0	114.5
58	I	29.8	Very low	34.9	Very low	134 Å²	134	132.9 Å²	132.9	69%	0.687	70%	0.697	S	S	*	*			trans	-115	107.9	166	-60	175.3	0	0	0	107.3
59	C	28.3	Very low	35.8	Very low	89 Å²	89	131.9 Å²	131.9	60%	0.601	69%	0.691	S	S	*	*			trans	-86.4	135.7	156.2	-68.9	0	0	0	0	107.7	D61	C59-D61 PolarHBondContact O-N 2.9Å
60	L	29.6	Very low	36.9	Very low	171 Å²	171	131.7 Å²	131.7	90%	0.895	69%	0.691	S	S	*	*			trans	-79.6	65.2	171.3	-73.6	167.4	0	0	0	110
61	D	34.7	Very low	38.8	Very low	82 Å²	82	126 Å²	126	44%	0.439	67%	0.667	S	S	.	*			trans	-86.1	128.5	168.1	-177.9	-2.8	0	0	0	109.1	C59 H63 S64	C59-D61 PolarHBondContact O-N 2.9Å; D61-H63 PolarHBondContact O-N 2.76Å; D61-H63 VanDerWaalsContact O-N 3.15Å; D61-H63 IonicContact OD1-CD2 2.8Å; D61-H63 PolarHBondContact OD1-N 3.41Å; D61-H63 VanDerWaalsContact OD1-N 3.08Å; D61-S64 PolarHBondContact O-N 3.49Å
62	Q	36.3	Very low	39.4	Very low	88 Å²	88	124.6 Å²	124.6	41%	0.411	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	-19.8	-177.4	-152.1	167.4	13.8	0	0	112.6	L81	Q62-L81 PolarHBondContact NE2-O 3.02Å
63	H	38	Very low	40.1	Very low	177 Å²	177	126.1 Å²	126.1	82%	0.819	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-5.4	173.6	-68.2	-69.1	0	0	0	115	D61	D61-H63 PolarHBondContact O-N 2.76Å; D61-H63 VanDerWaalsContact O-N 3.15Å; D61-H63 IonicContact OD1-CD2 2.8Å; D61-H63 PolarHBondContact OD1-N 3.41Å; D61-H63 VanDerWaalsContact OD1-N 3.08Å
64	S	38.8	Very low	40.9	Very low	85 Å²	85	120.7 Å²	120.7	59%	0.594	63%	0.629	S	S	*	*	S	Bend	trans	-91.3	-7.3	178.7	-66.5	0	0	0	0	113.9	D61	D61-S64 PolarHBondContact O-N 3.49Å
65	L	42.5	Very low	41.3	Very low	90 Å²	90	115.1 Å²	115.1	47%	0.471	60%	0.597	S	S	.	*			trans	-88.3	106.3	175.7	-72.6	164.3	0	0	0	110.2	L67 L81	L65-L67 HydrophobicContact CB-CD2 4.32Å; L65-L67 HydrophobicContact CB-CG 4.09Å; L65-L67 PolarHBondContact O-N 2.96Å; L65-L81 HydrophobicContact CD1-CD1 4Å
66	Q	43.1	Very low	42	Very low	198 Å²	198	115.4 Å²	115.4	93%	0.925	59%	0.587	S	S	*	*			trans	-76.5	77	168.5	-70.2	-174.6	-21	0	0	109.9
67	L	48.2	Very low	42.1	Very low	54 Å²	54	109.4 Å²	109.4	28%	0.283	56%	0.564	S	S	.	*			trans	-76.2	131	174.2	-59.9	176.3	0	0	0	110	L65 P69 D74 I77	L65-L67 HydrophobicContact CB-CD2 4.32Å; L65-L67 HydrophobicContact CB-CG 4.09Å; L65-L67 PolarHBondContact O-N 2.96Å; L67-P69 WeakPolarHBondContact O-CD 3.46Å; L67-D74 VanDerWaalsContact CA-OD2 3.27Å; L67-D74 WeakPolarHBondContact CA-OD2 3.4Å; L67-D74 HydrophobicContact CB-CB 4.04Å; L67-D74 HydrophobicContact CD2-CB 4.21Å; L67-D74 WeakPolarHBondContact CD2-OD1 3.29Å; L67-I77 HydrophobicContact CD1-CG2 4.31Å; L67-I77 HydrophobicContact CD2-CG2 4.14Å
68	D	51.1	Low	42.8	Very low	80 Å²	80	103.1 Å²	103.1	43%	0.428	54%	0.54	S	S	.	.			trans	-75	119.7	175.5	-167.7	-35.6	0	0	0	109.8	N70 D71 D74	D68-N70 PolarHBondContact O-N 3.45Å; D68-N70 VanDerWaalsContact O-N 3.09Å; D68-N70 WeakPolarHBondContact OD1-CB 3.43Å; D68-N70 PolarHBondContact OD1-N 3.39Å; D68-N70 PolarHBondContact OD1-ND2 3.09Å; D68-D71 HydrophobicContact CB-CB 4.27Å; D68-D71 PolarHBondContact O-N 3.09Å; D68-D74 PolarHBondContact N-OD2 3.08Å
69	P	48.3	Very low	43.6	Very low	100 Å²	100	102.6 Å²	102.6	65%	0.649	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.3	179.4	28.3	-35.8	0	0	0	114	L67 Q75	L67-P69 WeakPolarHBondContact O-CD 3.46Å; P69-Q75 PolarHBondContact O-NE2 2.95Å
70	N	53.3	Low	44	Very low	135 Å²	135	101.7 Å²	101.7	72%	0.722	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-14.4	179.2	-51.6	-80.8	0	0	0	113.7	D68	D68-N70 PolarHBondContact O-N 3.45Å; D68-N70 VanDerWaalsContact O-N 3.09Å; D68-N70 WeakPolarHBondContact OD1-CB 3.43Å; D68-N70 PolarHBondContact OD1-N 3.39Å; D68-N70 PolarHBondContact OD1-ND2 3.09Å
71	D	63.4	Low	44.4	Very low	71 Å²	71	96.3 Å²	96.3	38%	0.38	49%	0.493	S	S	.	.			trans	-85.6	132.5	177.6	178.5	-88.1	0	0	0	111.6	D68 Q73 D74 Q75	D68-D71 HydrophobicContact CB-CB 4.27Å; D68-D71 PolarHBondContact O-N 3.09Å; D71-Q73 VanDerWaalsContact C-N 3.32Å; D71-Q73 PolarHBondContact O-N 2.8Å; D71-Q73 VanDerWaalsContact OD1-CA 3.29Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.31Å; D71-Q73 VanDerWaalsContact OD1-CB 3.31Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.43Å; D71-Q73 PolarHBondContact OD1-N 2.85Å; D71-D74 HydrophobicContact CB-CB 4.22Å; D71-D74 PolarHBondContact OD1-N 3.15Å; D71-Q75 WeakPolarHBondContact O-CB 3.26Å; D71-Q75 VanDerWaalsContact O-CG 3.26Å; D71-Q75 WeakPolarHBondContact O-CG 3.48Å; D71-Q75 PolarHBondContact O-N 3.49Å
72	E	44.8	Very low	44.6	Very low	141 Å²	141	98.1 Å²	98.1	66%	0.659	50%	0.502	S	S	*	.	H	α-helix	trans	-68.5	-27.6	-176.3	-74.3	-160.3	119.3	0	0	113.7	Q76	E72-Q76 WeakPolarHBondContact O-CB 3.19Å; E72-Q76 WeakPolarHBondContact O-CG 3.49Å; E72-Q76 PolarHBondContact O-N 3.25Å; E72-Q76 VanDerWaalsContact O-N 3.09Å; E72-Q76 PolarHBondContact O-NE2 2.83Å
73	Q	42.9	Very low	44.5	Very low	139 Å²	139	100.7 Å²	100.7	65%	0.65	51%	0.514	S	S	*	.	H	α-helix	trans	-79.4	-42	177.9	-59.9	-171.7	14.8	0	0	110.8	D71 Q75 Q76 I77	D71-Q73 VanDerWaalsContact C-N 3.32Å; D71-Q73 PolarHBondContact O-N 2.8Å; D71-Q73 VanDerWaalsContact OD1-CA 3.29Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.31Å; D71-Q73 VanDerWaalsContact OD1-CB 3.31Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.43Å; D71-Q73 PolarHBondContact OD1-N 2.85Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-Q75 PolarHBondContact O-N 3.28Å; Q73-Q76 CarbonylContact O-C 3.51Å; Q73-Q76 WeakPolarHBondContact O-CA 3.45Å; Q73-Q76 WeakPolarHBondContact O-CB 3.3Å; Q73-Q76 PolarHBondContact O-N 3.31Å; Q73-I77 WeakPolarHBondContact O-CG1 3.42Å; Q73-I77 PolarHBondContact O-N 2.96Å
74	D	46.1	Very low	44.3	Very low	40 Å²	40	96.4 Å²	96.4	21%	0.214	50%	0.5	C	S	.	.	H	α-helix	trans	-65.1	-37.7	173.6	-90.2	-0.9	0	0	0	112	L67 D68 D71 Q76 I77 S78	L67-D74 VanDerWaalsContact CA-OD2 3.27Å; L67-D74 WeakPolarHBondContact CA-OD2 3.4Å; L67-D74 HydrophobicContact CB-CB 4.04Å; L67-D74 HydrophobicContact CD2-CB 4.21Å; L67-D74 WeakPolarHBondContact CD2-OD1 3.29Å; D68-D74 PolarHBondContact N-OD2 3.08Å; D71-D74 HydrophobicContact CB-CB 4.22Å; D71-D74 PolarHBondContact OD1-N 3.15Å; D74-Q76 VanDerWaalsContact C-N 3.32Å; D74-Q76 PolarHBondContact O-N 2.94Å; D74-I77 PolarHBondContact O-N 2.8Å; D74-S78 VanDerWaalsContact O-CB 3.31Å; D74-S78 WeakPolarHBondContact O-CB 3.38Å; D74-S78 PolarHBondContact O-N 2.89Å
75	Q	46.9	Very low	44.3	Very low	61 Å²	61	97.5 Å²	97.5	29%	0.285	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-36.7	167.9	-71.7	-179.6	17.4	0	0	112.4	P69 D71 Q73 R79	P69-Q75 PolarHBondContact O-NE2 2.95Å; D71-Q75 WeakPolarHBondContact O-CB 3.26Å; D71-Q75 VanDerWaalsContact O-CG 3.26Å; D71-Q75 WeakPolarHBondContact O-CG 3.48Å; D71-Q75 PolarHBondContact O-N 3.49Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-Q75 PolarHBondContact O-N 3.28Å; Q75-R79 VanDerWaalsContact CB-NH1 3.34Å; Q75-R79 WeakPolarHBondContact O-CB 3.44Å; Q75-R79 WeakPolarHBondContact O-CD 3.36Å; Q75-R79 WeakPolarHBondContact O-CG 3.46Å; Q75-R79 PolarHBondContact O-N 3.29Å
76	Q	44.8	Very low	44.6	Very low	108 Å²	108	97.3 Å²	97.3	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-71	-39.8	175.3	-77.5	173.5	46.8	0	0	112.3	E72 Q73 D74 R79 V80	E72-Q76 WeakPolarHBondContact O-CB 3.19Å; E72-Q76 WeakPolarHBondContact O-CG 3.49Å; E72-Q76 PolarHBondContact O-N 3.25Å; E72-Q76 VanDerWaalsContact O-N 3.09Å; E72-Q76 PolarHBondContact O-NE2 2.83Å; Q73-Q76 CarbonylContact O-C 3.51Å; Q73-Q76 WeakPolarHBondContact O-CA 3.45Å; Q73-Q76 WeakPolarHBondContact O-CB 3.3Å; Q73-Q76 PolarHBondContact O-N 3.31Å; D74-Q76 VanDerWaalsContact C-N 3.32Å; D74-Q76 PolarHBondContact O-N 2.94Å; Q76-R79 PolarHBondContact O-N 3.35Å; Q76-V80 WeakPolarHBondContact O-CG2 3.45Å; Q76-V80 PolarHBondContact O-N 3.43Å
77	I	42.3	Very low	45.3	Very low	77 Å²	77	92 Å²	92	40%	0.395	49%	0.486	S	S	.	.	H	α-helix	trans	-61.2	-45.9	173.2	-70.6	163.7	0	0	0	109.6	L67 Q73 D74 R79 V80 L81	L67-I77 HydrophobicContact CD1-CG2 4.31Å; L67-I77 HydrophobicContact CD2-CG2 4.14Å; Q73-I77 WeakPolarHBondContact O-CG1 3.42Å; Q73-I77 PolarHBondContact O-N 2.96Å; D74-I77 PolarHBondContact O-N 2.8Å; I77-R79 PolarHBondContact O-N 3.22Å; I77-V80 PolarHBondContact O-N 3.23Å; I77-L81 HydrophobicContact CG2-CD1 3.76Å; I77-L81 HydrophobicContact CG2-CG 4.25Å; I77-L81 WeakPolarHBondContact O-CB 3.45Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.13Å; I77-L81 PolarHBondContact O-N 3.38Å
78	S	46.3	Very low	45.9	Very low	46 Å²	46	91 Å²	91	32%	0.322	48%	0.479	S	S	.	.	H	α-helix	trans	-58.4	-46.8	172.9	-179.7	0	0	0	0	112	D74 V80 L81 N82	D74-S78 VanDerWaalsContact O-CB 3.31Å; D74-S78 WeakPolarHBondContact O-CB 3.38Å; D74-S78 PolarHBondContact O-N 2.89Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 2.79Å; S78-L81 PolarHBondContact O-N 3.12Å; S78-N82 WeakPolarHBondContact O-CB 3.35Å; S78-N82 PolarHBondContact O-N 3.15Å; S78-N82 PolarHBondContact O-ND2 3.39Å; S78-N82 PolarHBondContact OG-ND2 3.37Å
79	R	45.2	Very low	46.3	Very low	122 Å²	122	90.1 Å²	90.1	46%	0.46	47%	0.473	S	S	.	.	H	α-helix	trans	-59.2	-41.2	175.3	-72.2	164.8	-167.5	124.2	3.3	112.1	Q75 Q76 I77 Q83	Q75-R79 VanDerWaalsContact CB-NH1 3.34Å; Q75-R79 WeakPolarHBondContact O-CB 3.44Å; Q75-R79 WeakPolarHBondContact O-CD 3.36Å; Q75-R79 WeakPolarHBondContact O-CG 3.46Å; Q75-R79 PolarHBondContact O-N 3.29Å; Q76-R79 PolarHBondContact O-N 3.35Å; I77-R79 PolarHBondContact O-N 3.22Å; R79-Q83 WeakPolarHBondContact O-CG 3.44Å; R79-Q83 PolarHBondContact O-N 3.45Å; R79-Q83 VanDerWaalsContact O-N 3.14Å
80	V	37.8	Very low	46.8	Very low	71 Å²	71	88 Å²	88	43%	0.43	46%	0.461	S	S	.	.	H	α-helix	trans	-72.1	-42.2	178.7	171.1	0	0	0	0	111.9	Q76 I77 S78 N82 Q83 V84	Q76-V80 WeakPolarHBondContact O-CG2 3.45Å; Q76-V80 PolarHBondContact O-N 3.43Å; I77-V80 PolarHBondContact O-N 3.23Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 2.79Å; V80-N82 VanDerWaalsContact C-N 3.26Å; V80-N82 PolarHBondContact O-N 2.85Å; V80-Q83 CarbonylContact O-C 3.56Å; V80-Q83 WeakPolarHBondContact O-CA 3.01Å; V80-Q83 WeakPolarHBondContact O-CB 3.18Å; V80-Q83 PolarHBondContact O-N 2.92Å; V80-V84 PolarHBondContact O-N 3.12Å
81	L	37.6	Very low	47.3	Very low	58 Å²	58	83.1 Å²	83.1	30%	0.304	44%	0.435	S	S	.	.	H	α-helix	trans	-62.8	-33.1	175.2	-72.6	172.6	0	0	0	112.1	Q62 L65 I77 S78 Q83	Q62-L81 PolarHBondContact NE2-O 3.02Å; L65-L81 HydrophobicContact CD1-CD1 4Å; I77-L81 HydrophobicContact CG2-CD1 3.76Å; I77-L81 HydrophobicContact CG2-CG 4.25Å; I77-L81 WeakPolarHBondContact O-CB 3.45Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.13Å; I77-L81 PolarHBondContact O-N 3.38Å; S78-L81 PolarHBondContact O-N 3.12Å; L81-Q83 VanDerWaalsContact C-N 3.3Å
82	N	39	Very low	47.4	Very low	120 Å²	120	79.7 Å²	79.7	64%	0.642	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.9	171.7	-71	-55.2	0	0	0	113.7	S78 V80	S78-N82 WeakPolarHBondContact O-CB 3.35Å; S78-N82 PolarHBondContact O-N 3.15Å; S78-N82 PolarHBondContact O-ND2 3.39Å; S78-N82 PolarHBondContact OG-ND2 3.37Å; V80-N82 VanDerWaalsContact C-N 3.26Å; V80-N82 PolarHBondContact O-N 2.85Å
83	Q	33.7	Very low	48.4	Very low	142 Å²	142	75 Å²	75	66%	0.664	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-18.2	172.8	-75.8	165.5	13.1	0	0	113.2	R79 V80 L81 P85	R79-Q83 WeakPolarHBondContact O-CG 3.44Å; R79-Q83 PolarHBondContact O-N 3.45Å; R79-Q83 VanDerWaalsContact O-N 3.14Å; V80-Q83 CarbonylContact O-C 3.56Å; V80-Q83 WeakPolarHBondContact O-CA 3.01Å; V80-Q83 WeakPolarHBondContact O-CB 3.18Å; V80-Q83 PolarHBondContact O-N 2.92Å; L81-Q83 VanDerWaalsContact C-N 3.3Å; Q83-P85 VanDerWaalsContact O-CD 3.28Å; Q83-P85 WeakPolarHBondContact O-CD 3.43Å
84	V	34.1	Very low	49.7	Very low	87 Å²	87	75 Å²	75	53%	0.527	39%	0.393	S	S	.	.	S	Bend	trans	-69.3	118.4	170	176.8	0	0	0	0	108.2	V80 N86	V80-V84 PolarHBondContact O-N 3.12Å; V84-N86 PolarHBondContact O-N 3.41Å
85	P	38.3	Very low	51.1	Low	107 Å²	107	73.5 Å²	73.5	70%	0.695	39%	0.385	S	S	*	.			trans	-61.6	131.1	175.1	-20.9	33.6	0	0	0	109.5	Q83 T87	Q83-P85 VanDerWaalsContact O-CD 3.28Å; Q83-P85 WeakPolarHBondContact O-CD 3.43Å; P85-T87 PolarHBondContact O-N 3.21Å
86	N	48.8	Very low	52.4	Low	86 Å²	86	71.1 Å²	71.1	46%	0.46	37%	0.374	S	S	.	.			trans	-59.9	100.4	175.6	-107.9	-50.3	0	0	0	109.4	V84 S90 L91	V84-N86 PolarHBondContact O-N 3.41Å; N86-S90 PolarHBondContact OD1-OG 2.95Å; N86-L91 HydrophobicContact CB-CD1 4.2Å; N86-L91 HydrophobicContact CB-CD2 3.91Å; N86-L91 HydrophobicContact CB-CG 4.01Å
87	T	58.3	Low	53.8	Low	87 Å²	87	69.7 Å²	69.7	53%	0.534	37%	0.369	S	S	.	.			trans	-61.7	147.3	-175.3	68.4	0	0	0	0	110.6	P85 M89 S90 L91	P85-T87 PolarHBondContact O-N 3.21Å; T87-M89 PolarHBondContact O-N 2.94Å; T87-S90 WeakPolarHBondContact O-CA 3.34Å; T87-S90 VanDerWaalsContact O-CB 3.3Å; T87-S90 WeakPolarHBondContact O-CB 3.29Å; T87-S90 PolarHBondContact O-N 3.14Å; T87-L91 PolarHBondContact O-N 3.4Å
88	F	60.2	Low	55.4	Low	33 Å²	33	69.7 Å²	69.7	15%	0.145	37%	0.368	C	S	.	.	H	α-helix	trans	-48.2	-37.4	179.3	-171	-80.8	0	0	0	112.7	L91 L92 M705 E729 Q732 M733 L736	F88-L91 PolarHBondContact O-N 3.05Å; F88-L92 HydrophobicContact CD1-CB 4.44Å; F88-L92 HydrophobicContact CE1-CB 4.44Å; F88-L92 HydrophobicContact CE1-CD2 4.33Å; F88-L92 WeakPolarHBondContact O-CB 3.5Å; F88-L92 PolarHBondContact O-N 3.41Å; F88-M705 HydrophobicContact CD1-CE 3.6Å; F88-M705 HydrophobicContact CD1-SD 3.77Å; F88-M705 HydrophobicContact CD2-CE 4.36Å; F88-M705 HydrophobicContact CE1-CE 3.26Å; F88-M705 HydrophobicContact CE1-SD 3.49Å; F88-M705 WeakPolarHBondContact CE1-SD 3.45Å; F88-M705 HydrophobicContact CE2-CE 4.06Å; F88-M705 HydrophobicContact CG-CE 4.16Å; F88-M705 HydrophobicContact CZ-CE 3.5Å; F88-M705 HydrophobicContact CZ-SD 4.28Å; F88-E729 HydrophobicContact CD2-CG 3.89Å; F88-E729 WeakPolarHBondContact CD2-OE1 3.17Å; F88-E729 HydrophobicContact CE2-CG 3.76Å; F88-Q732 HydrophobicContact CZ-CG 4.25Å; F88-M733 HydrophobicContact CD1-CG 4.33Å; F88-M733 HydrophobicContact CD2-CG 3.86Å; F88-M733 HydrophobicContact CD2-SD 3.95Å; F88-M733 HydrophobicContact CE1-CG 3.83Å; F88-M733 HydrophobicContact CE2-CG 3.33Å; F88-M733 HydrophobicContact CE2-SD 4.04Å; F88-M733 HydrophobicContact CG-CG 4.33Å; F88-M733 HydrophobicContact CG-SD 4.31Å; F88-M733 HydrophobicContact CZ-CB 4.4Å; F88-M733 HydrophobicContact CZ-CG 3.31Å; F88-M733 HydrophobicContact CZ-SD 4.43Å; F88-L736 HydrophobicContact CE1-CD1 3.73Å; F88-L736 HydrophobicContact CZ-CD1 3.66Å
89	M	60.2	Low	57.1	Low	61 Å²	61	67.9 Å²	67.9	30%	0.3	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-35.1	178	-61.1	-51.3	-56.3	0	0	113.9	T87 L92 S93 L116 I117 M705	T87-M89 PolarHBondContact O-N 2.94Å; M89-L92 HydrophobicContact CE-CD2 4.02Å; M89-L92 HydrophobicContact SD-CD2 4.38Å; M89-S93 PolarHBondContact O-N 3.13Å; M89-L116 WeakPolarHBondContact CE-O 3.31Å; M89-I117 HydrophobicContact CE-CG1 3.92Å; M89-M705 HydrophobicContact SD-SD 4.49Å
90	S	58.1	Low	58.8	Low	55 Å²	55	64.9 Å²	64.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-50.9	173.4	178.7	0	0	0	0	110.4	N86 T87 L92 S93 R94	N86-S90 PolarHBondContact OD1-OG 2.95Å; T87-S90 WeakPolarHBondContact O-CA 3.34Å; T87-S90 VanDerWaalsContact O-CB 3.3Å; T87-S90 WeakPolarHBondContact O-CB 3.29Å; T87-S90 PolarHBondContact O-N 3.14Å; S90-L92 PolarHBondContact O-N 3.36Å; S90-S93 WeakPolarHBondContact O-CB 3.36Å; S90-S93 PolarHBondContact O-N 3.08Å; S90-R94 PolarHBondContact O-N 2.73Å
91	L	64.5	Low	60.7	Low	33 Å²	33	69.5 Å²	69.5	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-44.5	178.9	-64	175.2	0	0	0	111.5	N86 T87 F88 S93 R94 E95 M733	N86-L91 HydrophobicContact CB-CD1 4.2Å; N86-L91 HydrophobicContact CB-CD2 3.91Å; N86-L91 HydrophobicContact CB-CG 4.01Å; T87-L91 PolarHBondContact O-N 3.4Å; F88-L91 PolarHBondContact O-N 3.05Å; L91-S93 VanDerWaalsContact C-N 3.34Å; L91-S93 PolarHBondContact O-N 2.66Å; L91-R94 WeakPolarHBondContact O-CB 3.42Å; L91-R94 PolarHBondContact O-N 3.28Å; L91-E95 WeakPolarHBondContact O-CG 3.37Å; L91-E95 PolarHBondContact O-N 3.32Å; L91-M733 HydrophobicContact CB-CE 4.16Å; L91-M733 HydrophobicContact CB-SD 3.32Å; L91-M733 WeakPolarHBondContact CB-SD 3.5Å; L91-M733 HydrophobicContact CD1-CE 3.96Å; L91-M733 HydrophobicContact CD1-SD 3.91Å; L91-M733 HydrophobicContact CG-SD 4.26Å
92	L	65.8	Low	62.7	Low	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.8	-41.4	174.4	178.1	63.6	0	0	0	112.5	F88 M89 S90 K96 L116 M733 L736 A737	F88-L92 HydrophobicContact CD1-CB 4.44Å; F88-L92 HydrophobicContact CE1-CB 4.44Å; F88-L92 HydrophobicContact CE1-CD2 4.33Å; F88-L92 WeakPolarHBondContact O-CB 3.5Å; F88-L92 PolarHBondContact O-N 3.41Å; M89-L92 HydrophobicContact CE-CD2 4.02Å; M89-L92 HydrophobicContact SD-CD2 4.38Å; S90-L92 PolarHBondContact O-N 3.36Å; L92-K96 WeakPolarHBondContact O-CG 3.48Å; L92-K96 PolarHBondContact O-N 2.81Å; L92-K96 VanDerWaalsContact O-N 3.09Å; L92-L116 HydrophobicContact CD2-CD1 4.43Å; L92-M733 WeakPolarHBondContact CD1-O 3.1Å; L92-L736 HydrophobicContact CD1-CB 3.63Å; L92-A737 HydrophobicContact CD1-CB 4.03Å
93	S	65.9	Low	64.7	Low	41 Å²	41	69.8 Å²	69.8	29%	0.287	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-47.2	174.6	-162.6	0	0	0	0	110.8	M89 S90 L91 E95 K96 D97	M89-S93 PolarHBondContact O-N 3.13Å; S90-S93 WeakPolarHBondContact O-CB 3.36Å; S90-S93 PolarHBondContact O-N 3.08Å; L91-S93 VanDerWaalsContact C-N 3.34Å; L91-S93 PolarHBondContact O-N 2.66Å; S93-E95 PolarHBondContact O-N 3.08Å; S93-K96 WeakPolarHBondContact O-CB 3.31Å; S93-K96 PolarHBondContact O-N 2.8Å; S93-K96 VanDerWaalsContact O-N 3.09Å; S93-D97 PolarHBondContact O-N 3.25Å
94	R	69.4	Low	66.8	Low	139 Å²	139	66.8 Å²	66.8	53%	0.525	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-39	179.6	-166.5	-164.8	69	172.9	2.3	112.8	S90 L91 D97 M98	S90-R94 PolarHBondContact O-N 2.73Å; L91-R94 WeakPolarHBondContact O-CB 3.42Å; L91-R94 PolarHBondContact O-N 3.28Å; R94-D97 PolarHBondContact O-N 3.01Å; R94-M98 WeakPolarHBondContact O-CB 3.42Å; R94-M98 PolarHBondContact O-N 2.83Å
95	E	75.7	Confident	68.8	Low	10 Å²	10	70.4 Å²	70.4	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-37.7	174.2	-61.7	-65	128.8	0	0	111.4	L91 S93 M98 F99 K734 A737	L91-E95 WeakPolarHBondContact O-CG 3.37Å; L91-E95 PolarHBondContact O-N 3.32Å; S93-E95 PolarHBondContact O-N 3.08Å; E95-M98 WeakPolarHBondContact O-CB 3.41Å; E95-M98 PolarHBondContact O-N 3.04Å; E95-M98 VanDerWaalsContact OE2-CE 3.28Å; E95-M98 WeakPolarHBondContact OE2-CE 3.16Å; E95-F99 WeakPolarHBondContact O-CD2 3.1Å; E95-F99 PolarHBondContact O-N 3.02Å; E95-K734 WeakPolarHBondContact OE2-CE 3.49Å; E95-K734 WeakPolarHBondContact OE2-CG 3.48Å; E95-A737 HydrophobicContact CB-CB 3.96Å
96	K	75.4	Confident	70.5	Confident	11 Å²	11	67 Å²	67	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-47.2	171.3	-71	-175.4	-171.7	-167.7	0	111.8	L92 S93 M98 F99 V100 S114 I117 A737 D740 L741	L92-K96 WeakPolarHBondContact O-CG 3.48Å; L92-K96 PolarHBondContact O-N 2.81Å; L92-K96 VanDerWaalsContact O-N 3.09Å; S93-K96 WeakPolarHBondContact O-CB 3.31Å; S93-K96 PolarHBondContact O-N 2.8Å; S93-K96 VanDerWaalsContact O-N 3.09Å; K96-M98 PolarHBondContact O-N 2.91Å; K96-F99 PolarHBondContact O-N 3.21Å; K96-F99 VanDerWaalsContact O-N 3.12Å; K96-V100 WeakPolarHBondContact O-CG2 3.36Å; K96-V100 PolarHBondContact O-N 3.02Å; K96-S114 PolarHBondContact NZ-OG 2.85Å; K96-I117 HydrophobicContact CD-CD1 4.1Å; K96-A737 HydrophobicContact CG-CB 3.69Å; K96-D740 WeakPolarHBondContact CE-OD2 3.49Å; K96-D740 IonicContact NZ-OD1 3.87Å; K96-D740 IonicContact NZ-OD2 2.88Å; K96-D740 PolarHBondContact NZ-OD2 2.99Å; K96-L741 HydrophobicContact CB-CD1 4.37Å; K96-L741 HydrophobicContact CG-CD1 4.47Å; K96-L741 HydrophobicContact CG-CG 4.37Å
97	D	72.5	Confident	71.8	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-34.9	178.1	-66.7	-40	0	0	0	111.6	S93 R94 K101	S93-D97 PolarHBondContact O-N 3.25Å; R94-D97 PolarHBondContact O-N 3.01Å; D97-K101 WeakPolarHBondContact O-CB 3.47Å; D97-K101 WeakPolarHBondContact O-CD 3.34Å; D97-K101 WeakPolarHBondContact O-CG 3.38Å; D97-K101 PolarHBondContact O-N 2.85Å
98	M	76.8	Confident	72.2	Confident	77 Å²	77	65.8 Å²	65.8	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-48.3	172.1	-176.6	-177.4	67.3	0	0	111.7	R94 E95 K96 V100 K101 L102	R94-M98 WeakPolarHBondContact O-CB 3.42Å; R94-M98 PolarHBondContact O-N 2.83Å; E95-M98 WeakPolarHBondContact O-CB 3.41Å; E95-M98 PolarHBondContact O-N 3.04Å; E95-M98 VanDerWaalsContact OE2-CE 3.28Å; E95-M98 WeakPolarHBondContact OE2-CE 3.16Å; K96-M98 PolarHBondContact O-N 2.91Å; M98-V100 VanDerWaalsContact C-N 3.34Å; M98-V100 PolarHBondContact O-N 3Å; M98-K101 PolarHBondContact O-N 3.23Å; M98-L102 HydrophobicContact CG-CD1 3.88Å; M98-L102 HydrophobicContact CG-CG 4.39Å; M98-L102 WeakPolarHBondContact O-CB 3.49Å; M98-L102 VanDerWaalsContact O-CG 3.3Å; M98-L102 WeakPolarHBondContact O-CG 3.3Å; M98-L102 PolarHBondContact O-N 3.22Å
99	F	81.3	Confident	72.1	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.039	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-39.7	176.3	-81	-64.8	0	0	0	112.8	E95 K96 L102 Y103 F107 H655 A737 I738 L741	E95-F99 WeakPolarHBondContact O-CD2 3.1Å; E95-F99 PolarHBondContact O-N 3.02Å; K96-F99 PolarHBondContact O-N 3.21Å; K96-F99 VanDerWaalsContact O-N 3.12Å; F99-L102 PolarHBondContact O-N 3.11Å; F99-Y103 HydrophobicContact CD1-CD2 4.3Å; F99-Y103 HydrophobicContact CD1-CE2 4.13Å; F99-Y103 PolarHBondContact O-N 3.36Å; F99-F107 HydrophobicContact CB-CE2 4.36Å; F99-H655 HydrophobicContact CZ-CB 4.26Å; F99-A737 HydrophobicContact CD2-CB 3.97Å; F99-A737 HydrophobicContact CE2-CB 4.06Å; F99-I738 HydrophobicContact CD1-CD1 3.86Å; F99-I738 HydrophobicContact CD2-CB 4.41Å; F99-I738 HydrophobicContact CE1-CB 4.43Å; F99-I738 HydrophobicContact CE1-CD1 4.01Å; F99-I738 HydrophobicContact CE1-CG1 4.38Å; F99-I738 HydrophobicContact CE2-CB 3.99Å; F99-I738 HydrophobicContact CG-CD1 4.14Å; F99-I738 HydrophobicContact CZ-CB 4Å; F99-I738 HydrophobicContact CZ-CD1 4.42Å; F99-I738 HydrophobicContact CZ-CG1 4.42Å; F99-L741 HydrophobicContact CB-CD1 3.52Å; F99-L741 HydrophobicContact CG-CD1 4.33Å
100	V	80.8	Confident	72.2	Confident	58 Å²	58	70.6 Å²	70.6	35%	0.352	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-38.8	175.6	174.4	0	0	0	0	111.6	K96 M98 Y103 P104 F107 L741	K96-V100 WeakPolarHBondContact O-CG2 3.36Å; K96-V100 PolarHBondContact O-N 3.02Å; M98-V100 VanDerWaalsContact C-N 3.34Å; M98-V100 PolarHBondContact O-N 3Å; V100-Y103 CarbonylContact O-C 3.53Å; V100-P104 WeakPolarHBondContact O-CA 3.1Å; V100-F107 HydrophobicContact CG2-CB 4.17Å; V100-F107 HydrophobicContact CG2-CD2 4.46Å; V100-F107 HydrophobicContact CG2-CG 4.46Å; V100-L741 HydrophobicContact CG2-CD1 4.24Å; V100-L741 HydrophobicContact CG2-CD2 4.02Å
101	K	77.6	Confident	72.1	Confident	168 Å²	168	72.3 Å²	72.3	73%	0.73	34%	0.344	S	S	*	.	H	α-helix	trans	-69.5	-33.2	175.3	-73.2	164.5	-172.8	170.6	0	113.2	D97 M98	D97-K101 WeakPolarHBondContact O-CB 3.47Å; D97-K101 WeakPolarHBondContact O-CD 3.34Å; D97-K101 WeakPolarHBondContact O-CG 3.38Å; D97-K101 PolarHBondContact O-N 2.85Å; M98-K101 PolarHBondContact O-N 3.23Å
102	L	80.9	Confident	71.5	Confident	106 Å²	106	74.9 Å²	74.9	56%	0.555	36%	0.361	S	S	*	.	H	α-helix	trans	-76.9	-34.8	177.6	-72.2	170.5	0	0	0	112.8	M98 F99 P104	M98-L102 HydrophobicContact CG-CD1 3.88Å; M98-L102 HydrophobicContact CG-CG 4.39Å; M98-L102 WeakPolarHBondContact O-CB 3.49Å; M98-L102 VanDerWaalsContact O-CG 3.3Å; M98-L102 WeakPolarHBondContact O-CG 3.3Å; M98-L102 PolarHBondContact O-N 3.22Å; F99-L102 PolarHBondContact O-N 3.11Å; L102-P104 VanDerWaalsContact C-CD 3.44Å
103	Y	81.5	Confident	70.7	Confident	78 Å²	78	82.4 Å²	82.4	31%	0.306	40%	0.397	S	S	.	.			trans	-128.7	58.7	-175.1	-53.4	-79.1	0	0	0	112.8	F99 V100 E105 L106 F107 L654	F99-Y103 HydrophobicContact CD1-CD2 4.3Å; F99-Y103 HydrophobicContact CD1-CE2 4.13Å; F99-Y103 PolarHBondContact O-N 3.36Å; V100-Y103 CarbonylContact O-C 3.53Å; Y103-E105 PolarHBondContact O-N 3.18Å; Y103-L106 WeakPolarHBondContact O-CB 2.9Å; Y103-L106 PolarHBondContact O-N 3Å; Y103-L106 VanDerWaalsContact O-N 3.08Å; Y103-F107 HydrophobicContact CD2-CE2 4.36Å; Y103-F107 WeakPolarHBondContact O-CD2 3.28Å; Y103-F107 PolarHBondContact O-N 3.09Å; Y103-L654 HydrophobicContact CD1-CD2 3.93Å; Y103-L654 HydrophobicContact CD2-CD2 4.13Å; Y103-L654 HydrophobicContact CE1-CD2 3.7Å; Y103-L654 HydrophobicContact CE2-CD2 3.93Å; Y103-L654 HydrophobicContact CG-CD2 4.13Å
104	P	76.4	Confident	69.8	Low	79 Å²	79	82.1 Å²	82.1	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-39.5	-171.8	24.3	-34.4	0	0	0	113.6	V100 L102 L106 F107 E108	V100-P104 WeakPolarHBondContact O-CA 3.1Å; L102-P104 VanDerWaalsContact C-CD 3.44Å; P104-L106 PolarHBondContact O-N 2.98Å; P104-F107 PolarHBondContact O-N 3.39Å; P104-E108 PolarHBondContact O-N 2.88Å
105	E	75.9	Confident	68.7	Low	164 Å²	164	79.7 Å²	79.7	77%	0.766	40%	0.399	S	S	*	.	H	α-helix	trans	-68	-16	177	-62.7	-167.4	-178.2	0	0	114.1	Y103	Y103-E105 PolarHBondContact O-N 3.18Å
106	L	75	Confident	67.3	Low	35 Å²	35	80.4 Å²	80.4	18%	0.183	40%	0.403	C	S	.	.	H	α-helix	trans	-87.9	-42.9	180	-170	64.6	0	0	0	110.6	Y103 P104 L654 D677 F679	Y103-L106 WeakPolarHBondContact O-CB 2.9Å; Y103-L106 PolarHBondContact O-N 3Å; Y103-L106 VanDerWaalsContact O-N 3.08Å; P104-L106 PolarHBondContact O-N 2.98Å; L106-L654 HydrophobicContact CD2-CD1 3.69Å; L106-L654 HydrophobicContact CD2-CD2 3.86Å; L106-L654 HydrophobicContact CD2-CG 4.44Å; L106-D677 WeakPolarHBondContact CD1-O 3.49Å; L106-D677 HydrophobicContact CD2-CB 4.44Å; L106-F679 HydrophobicContact CD1-CE1 3.72Å; L106-F679 HydrophobicContact CD1-CE2 3.98Å; L106-F679 HydrophobicContact CD1-CZ 3.31Å; L106-F679 HydrophobicContact CD2-CE1 3.98Å; L106-F679 HydrophobicContact CD2-CZ 4.39Å; L106-F679 HydrophobicContact CG-CE1 3.58Å; L106-F679 HydrophobicContact CG-CZ 3.53Å
107	F	76.7	Confident	65.8	Low	11 Å²	11	82.3 Å²	82.3	5%	0.048	41%	0.413	C	S	.	.	H	α-helix	trans	-98.8	5.1	-177.1	-58.6	-61.9	0	0	0	114.7	F99 V100 Y103 P104 K109 M110 L654 F679 I738 L741	F99-F107 HydrophobicContact CB-CE2 4.36Å; V100-F107 HydrophobicContact CG2-CB 4.17Å; V100-F107 HydrophobicContact CG2-CD2 4.46Å; V100-F107 HydrophobicContact CG2-CG 4.46Å; Y103-F107 HydrophobicContact CD2-CE2 4.36Å; Y103-F107 WeakPolarHBondContact O-CD2 3.28Å; Y103-F107 PolarHBondContact O-N 3.09Å; P104-F107 PolarHBondContact O-N 3.39Å; F107-K109 PolarHBondContact O-N 3.35Å; F107-M110 HydrophobicContact CD1-SD 4.29Å; F107-L654 HydrophobicContact CZ-CD1 4.46Å; F107-F679 HydrophobicContact CD1-CE1 4.32Å; F107-F679 AromaticContact CE1-CE1 3.74Å; F107-F679 HydrophobicContact CE1-CE1 3.74Å; F107-F679 HydrophobicContact CZ-CE1 4.43Å; F107-I738 HydrophobicContact CZ-CD1 3.9Å; F107-L741 HydrophobicContact CD1-CB 4.01Å; F107-L741 HydrophobicContact CE1-CB 3.59Å; F107-L741 HydrophobicContact CE1-CD1 4.47Å; F107-L741 HydrophobicContact CE2-CD1 4.32Å; F107-L741 HydrophobicContact CZ-CB 4.04Å; F107-L741 HydrophobicContact CZ-CD1 4.28Å
108	E	65.6	Low	64.1	Low	136 Å²	136	79.9 Å²	79.9	64%	0.636	40%	0.402	S	S	*	.	S	Bend	trans	-49.4	-29.7	175.5	-162.8	-151.9	178.2	0	0	113.7	P104	P104-E108 PolarHBondContact O-N 2.88Å
109	K	58.9	Low	62.1	Low	129 Å²	129	79.2 Å²	79.2	56%	0.561	41%	0.405	S	S	*	.			trans	-134.9	97.2	-173.3	-59.9	-170.4	-175.3	-175.2	0	112.6	F107 H746	F107-K109 PolarHBondContact O-N 3.35Å; K109-H746 WeakPolarHBondContact O-CB 3.34Å; K109-H746 PolarHBondContact O-N 2.96Å
110	M	61.9	Low	60	Low	67 Å²	67	82.9 Å²	82.9	33%	0.33	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-93.7	145.3	175.4	-57.4	-64.7	-87.9	0	0	110.5	F107 L741 N744 A745	F107-M110 HydrophobicContact CD1-SD 4.29Å; M110-L741 HydrophobicContact CE-CD2 3.69Å; M110-N744 HydrophobicContact CE-CB 3.5Å; M110-N744 HydrophobicContact SD-CB 4.44Å; M110-A745 HydrophobicContact SD-CB 4.44Å
111	R	55.1	Low	57.7	Low	90 Å²	90	83.8 Å²	83.8	34%	0.34	43%	0.434	S	S	.	.	S	Bend	trans	-70.4	-35.3	176.4	-70.3	-171.5	-169.7	77.5	13.8	113.1	A743 N744 A745	R111-A743 PolarHBondContact NH1-O 2.84Å; R111-N744 WeakPolarHBondContact CB-O 3.34Å; R111-N744 WeakPolarHBondContact CG-O 3.49Å; R111-N744 PolarHBondContact N-O 3.48Å; R111-A745 PolarHBondContact NH1-O 3.3Å; R111-A745 PolarHBondContact NH2-O 3.02Å; R111-A745 VanDerWaalsContact NH2-O 3.07Å
112	T	53.1	Low	55.7	Low	87 Å²	87	79.8 Å²	79.8	53%	0.534	42%	0.424	S	S	.	.	S	Bend	trans	-157.3	156.3	-163.6	31.4	0	0	0	0	109.9	N744	T112-N744 PolarHBondContact OG1-OD1 2.94Å
113	E	47.7	Very low	53.6	Low	158 Å²	158	78.4 Å²	78.4	74%	0.738	41%	0.414	S	S	*	.			trans	-65.5	149	168.2	-65.9	-176.1	175.3	0	0	111.2	S115	E113-S115 PolarHBondContact O-N 3.17Å
114	S	47.8	Very low	51.5	Low	35 Å²	35	80 Å²	80	25%	0.245	43%	0.427	C	S	.	.			trans	-63.4	118	-174.6	126.5	0	0	0	0	111.6	K96 L116 I117 D740	K96-S114 PolarHBondContact NZ-OG 2.85Å; S114-L116 VanDerWaalsContact C-N 3.33Å; S114-L116 PolarHBondContact O-N 3.23Å; S114-I117 PolarHBondContact O-N 3.5Å; S114-I117 PolarHBondContact OG-N 2.84Å; S114-D740 WeakPolarHBondContact CB-OD2 3.24Å
115	S	47.2	Very low	49.9	Very low	88 Å²	88	79.2 Å²	79.2	62%	0.615	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.7	-179.8	63.3	0	0	0	0	114.2	E113 I117	E113-S115 PolarHBondContact O-N 3.17Å; S115-I117 VanDerWaalsContact C-N 3.35Å
116	L	44.3	Very low	48.5	Very low	25 Å²	25	76.1 Å²	76.1	13%	0.131	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-27	171.8	-76.2	-175.2	0	0	0	113.7	M89 L92 S114 V703 L736 D740	M89-L116 WeakPolarHBondContact CE-O 3.31Å; L92-L116 HydrophobicContact CD2-CD1 4.43Å; S114-L116 VanDerWaalsContact C-N 3.33Å; S114-L116 PolarHBondContact O-N 3.23Å; L116-V703 HydrophobicContact CD1-CG1 4.18Å; L116-V703 VanDerWaalsContact CD2-O 3.27Å; L116-V703 WeakPolarHBondContact CD2-O 3.47Å; L116-L736 HydrophobicContact CD1-CB 4.29Å; L116-L736 HydrophobicContact CD1-CD2 4.06Å; L116-D740 HydrophobicContact CD1-CB 3.65Å; L116-D740 HydrophobicContact CG-CB 4.28Å
117	I	44.4	Very low	47.9	Very low	51 Å²	51	76.9 Å²	76.9	26%	0.262	41%	0.414	S	S	.	.	S	Bend	trans	-114.6	109.4	-178.6	-57.1	176.7	0	0	0	107.5	M89 K96 S114 S115 S119	M89-I117 HydrophobicContact CE-CG1 3.92Å; K96-I117 HydrophobicContact CD-CD1 4.1Å; S114-I117 PolarHBondContact O-N 3.5Å; S114-I117 PolarHBondContact OG-N 2.84Å; S115-I117 VanDerWaalsContact C-N 3.35Å; I117-S119 PolarHBondContact O-N 3.08Å
118	P	37.2	Very low	46.5	Very low	27 Å²	27	83.3 Å²	83.3	18%	0.175	46%	0.457	C	S	.	.			trans	-63.8	125.7	-176.4	24.5	-33.1	0	0	0	111.2	T120 S139	P118-T120 PolarHBondContact O-N 3.15Å; P118-T120 VanDerWaalsContact O-N 3.12Å; P118-T120 PolarHBondContact O-OG1 3.22Å; P118-S139 WeakPolarHBondContact CB-OG 3.37Å
119	S	35	Very low	45.8	Very low	63 Å²	63	83 Å²	83	44%	0.441	46%	0.459	S	S	.	.			trans	-58.8	119.1	179	53	0	0	0	0	110.4	I117 T121	I117-S119 PolarHBondContact O-N 3.08Å; S119-T121 PolarHBondContact O-N 3.5Å
120	T	36.2	Very low	45	Very low	86 Å²	86	79.5 Å²	79.5	53%	0.528	46%	0.46	S	S	.	.			trans	-93.7	100.5	-175.6	-64.9	0	0	0	0	108.2	P118 V136 K137	P118-T120 PolarHBondContact O-N 3.15Å; P118-T120 VanDerWaalsContact O-N 3.12Å; P118-T120 PolarHBondContact O-OG1 3.22Å; T120-V136 HydrophobicContact CG2-CG1 3.43Å; T120-V136 VanDerWaalsContact CG2-CG1 3.43Å; T120-K137 WeakPolarHBondContact CA-O 3.08Å
121	T	34.1	Very low	44.1	Very low	77 Å²	77	78.7 Å²	78.7	47%	0.472	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121	-178.1	42.6	0	0	0	0	110.4	S119 K137	S119-T121 PolarHBondContact O-N 3.5Å; T121-K137 PolarHBondContact N-O 3.42Å; T121-K137 PolarHBondContact O-N 3.06Å; T121-K137 WeakPolarHBondContact OG1-CB 3.26Å; T121-K137 PolarHBondContact OG1-O 3.02Å
122	T	34.9	Very low	43.4	Very low	84 Å²	84	78.6 Å²	78.6	52%	0.515	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	107.1	-175.8	-59.8	0	0	0	0	109.9	T134 V136	T122-T134 HydrophobicContact CG2-CG2 3.44Å; T122-T134 VanDerWaalsContact CG2-CG2 3.44Å; T122-V136 HydrophobicContact CG2-CG2 4.39Å
123	E	36.3	Very low	42.6	Very low	77 Å²	77	77.7 Å²	77.7	36%	0.36	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108	-175.1	176.7	-178.4	-123.4	0	0	109.2	I125 R135 K137	E123-I125 HydrophobicContact CG-CG1 4.09Å; E123-I125 PolarHBondContact O-N 2.79Å; E123-R135 HydrophobicContact CB-CB 4.31Å; E123-R135 PolarHBondContact N-O 3.47Å; E123-R135 WeakPolarHBondContact O-CB 3.36Å; E123-R135 PolarHBondContact O-N 3Å; E123-R135 VanDerWaalsContact OE2-CD 3.3Å; E123-R135 WeakPolarHBondContact OE2-CD 3.41Å; E123-K137 IonicContact OE1-NZ 3.83Å; E123-K137 PolarHBondContact OE1-NZ 2.83Å; E123-K137 WeakPolarHBondContact OE2-CE 3.32Å; E123-K137 IonicContact OE2-NZ 3.74Å; E123-K137 PolarHBondContact OE2-NZ 2.8Å
124	I	38.8	Very low	42.1	Very low	112 Å²	112	73.8 Å²	73.8	57%	0.574	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.9	177.6	-56.8	176.6	0	0	0	108.6	T132 T134	I124-T132 HydrophobicContact CG2-CG2 4.06Å; I124-T134 HydrophobicContact CG1-CG2 4.47Å
125	I	42.2	Very low	41.5	Very low	62 Å²	62	78.7 Å²	78.7	32%	0.318	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.7	178.6	-58.1	175.3	0	0	0	108.3	E123 T133 R135	E123-I125 HydrophobicContact CG-CG1 4.09Å; E123-I125 PolarHBondContact O-N 2.79Å; I125-T133 PolarHBondContact N-O 2.73Å; I125-T133 PolarHBondContact O-N 3.29Å; I125-R135 HydrophobicContact CD1-CB 4.25Å
126	T	46.8	Very low	40.8	Very low	98 Å²	98	78.7 Å²	78.7	60%	0.601	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.9	169.9	-49.5	0	0	0	0	109.2
127	N	61.2	Low	40.3	Very low	52 Å²	52	81.9 Å²	81.9	28%	0.278	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-75.7	161.6	178.2	-68.2	-33.8	0	0	0	111.3	D129 G130 S131 T133	N127-D129 VanDerWaalsContact CB-OD1 3.26Å; N127-D129 WeakPolarHBondContact CB-OD1 3.23Å; N127-D129 PolarHBondContact O-N 3.45Å; N127-D129 VanDerWaalsContact O-N 3.08Å; N127-G130 PolarHBondContact O-N 3.44Å; N127-S131 WeakPolarHBondContact CB-O 3.4Å; N127-S131 WeakPolarHBondContact CB-OG 3.39Å; N127-S131 PolarHBondContact N-O 2.71Å; N127-S131 PolarHBondContact ND2-OG 3.03Å; N127-T133 PolarHBondContact ND2-OG1 3.19Å
128	P	47.5	Very low	39.8	Very low	145 Å²	145	83.3 Å²	83.3	94%	0.942	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.3	178.4	-24.3	35.3	0	0	0	115.4
129	D	52.2	Low	39.4	Very low	129 Å²	129	85.4 Å²	85.4	69%	0.69	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	3.8	175.2	65.6	1	0	0	0	113.6	N127 S131	N127-D129 VanDerWaalsContact CB-OD1 3.26Å; N127-D129 WeakPolarHBondContact CB-OD1 3.23Å; N127-D129 PolarHBondContact O-N 3.45Å; N127-D129 VanDerWaalsContact O-N 3.08Å; D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 VanDerWaalsContact OD1-CB 3.29Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 2.83Å; D129-S131 PolarHBondContact OD1-OG 2.74Å
130	G	42.1	Very low	39.2	Very low	56 Å²	56	90.5 Å²	90.5	58%	0.577	52%	0.518	S	S	*	.	S	Bend	trans	84.9	-5.2	-177.6	0	0	0	0	0	115	N127	N127-G130 PolarHBondContact O-N 3.44Å
131	S	41.5	Very low	38.8	Very low	50 Å²	50	90.7 Å²	90.7	35%	0.35	52%	0.523	S	S	.	.			trans	-73.3	144	175.6	66.7	0	0	0	0	112.1	N127 D129	N127-S131 WeakPolarHBondContact CB-O 3.4Å; N127-S131 WeakPolarHBondContact CB-OG 3.39Å; N127-S131 PolarHBondContact N-O 2.71Å; N127-S131 PolarHBondContact ND2-OG 3.03Å; D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 VanDerWaalsContact OD1-CB 3.29Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 2.83Å; D129-S131 PolarHBondContact OD1-OG 2.74Å
132	T	40.8	Very low	38.6	Very low	89 Å²	89	96.9 Å²	96.9	55%	0.546	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.2	178.6	47.5	0	0	0	0	111.6	I124	I124-T132 HydrophobicContact CG2-CG2 4.06Å
133	T	36.7	Very low	38.3	Very low	67 Å²	67	97.6 Å²	97.6	41%	0.411	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.4	176.8	-59.8	0	0	0	0	110.1	I125 N127 R135	I125-T133 PolarHBondContact N-O 2.73Å; I125-T133 PolarHBondContact O-N 3.29Å; N127-T133 PolarHBondContact ND2-OG1 3.19Å; T133-R135 PolarHBondContact O-N 3.45Å
134	T	36.3	Very low	37.8	Very low	76 Å²	76	97.1 Å²	97.1	47%	0.466	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	101.4	178.1	-56.7	0	0	0	0	110.7	T122 I124 V136	T122-T134 HydrophobicContact CG2-CG2 3.44Å; T122-T134 VanDerWaalsContact CG2-CG2 3.44Å; I124-T134 HydrophobicContact CG1-CG2 4.47Å; T134-V136 HydrophobicContact CG2-CG2 4.32Å; T134-V136 PolarHBondContact O-N 2.94Å
135	R	34.9	Very low	37.3	Very low	139 Å²	139	100.1 Å²	100.1	53%	0.525	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.4	101.9	-179.9	-167.7	-175.2	-155.6	166.9	9	110.7	E123 I125 T133	E123-R135 HydrophobicContact CB-CB 4.31Å; E123-R135 PolarHBondContact N-O 3.47Å; E123-R135 WeakPolarHBondContact O-CB 3.36Å; E123-R135 PolarHBondContact O-N 3Å; E123-R135 VanDerWaalsContact OE2-CD 3.3Å; E123-R135 WeakPolarHBondContact OE2-CD 3.41Å; I125-R135 HydrophobicContact CD1-CB 4.25Å; T133-R135 PolarHBondContact O-N 3.45Å
136	V	33.6	Very low	36.7	Very low	88 Å²	88	102.9 Å²	102.9	53%	0.533	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	118.9	174.7	-175.8	0	0	0	0	109.9	T120 T122 T134	T120-V136 HydrophobicContact CG2-CG1 3.43Å; T120-V136 VanDerWaalsContact CG2-CG1 3.43Å; T122-V136 HydrophobicContact CG2-CG2 4.39Å; T134-V136 HydrophobicContact CG2-CG2 4.32Å; T134-V136 PolarHBondContact O-N 2.94Å
137	K	33.6	Very low	35.9	Very low	92 Å²	92	102.9 Å²	102.9	40%	0.4	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.8	112.3	173.9	-72.3	159.8	172.4	158.1	0	109.2	T120 T121 E123	T120-K137 WeakPolarHBondContact CA-O 3.08Å; T121-K137 PolarHBondContact N-O 3.42Å; T121-K137 PolarHBondContact O-N 3.06Å; T121-K137 WeakPolarHBondContact OG1-CB 3.26Å; T121-K137 PolarHBondContact OG1-O 3.02Å; E123-K137 IonicContact OE1-NZ 3.83Å; E123-K137 PolarHBondContact OE1-NZ 2.83Å; E123-K137 WeakPolarHBondContact OE2-CE 3.32Å; E123-K137 IonicContact OE2-NZ 3.74Å; E123-K137 PolarHBondContact OE2-NZ 2.8Å
138	S	33.5	Very low	34.7	Very low	80 Å²	80	108.1 Å²	108.1	56%	0.559	59%	0.594	S	S	*	*			trans	-110.5	135.5	167.6	59.2	0	0	0	0	110.7	K140	S138-K140 PolarHBondContact O-N 2.8Å; S138-K140 VanDerWaalsContact O-N 3.08Å
139	S	30.3	Very low	34.2	Very low	72 Å²	72	106.3 Å²	106.3	50%	0.503	57%	0.574	S	S	.	*			trans	-85.4	75	-172.1	46.7	0	0	0	0	113.8	P118	P118-S139 WeakPolarHBondContact CB-OG 3.37Å
140	K	30.2	Very low	33.5	Very low	169 Å²	169	104.7 Å²	104.7	74%	0.735	56%	0.562	S	S	*	*			trans	42.5	90.5	161.3	-65.1	-173.3	179	-176.4	0	117.4	S138	S138-K140 PolarHBondContact O-N 2.8Å; S138-K140 VanDerWaalsContact O-N 3.08Å
141	S	27.9	Very low	33.4	Very low	91 Å²	91	104.7 Å²	104.7	64%	0.636	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-87.9	121.7	159.6	-54.2	0	0	0	0	110.9
142	Y	29.9	Very low	33.3	Very low	206 Å²	206	109.4 Å²	109.4	81%	0.808	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-93.6	129.3	167	-77.9	-91	0	0	0	109.7
143	S	27.6	Very low	33.2	Very low	99 Å²	99	109.5 Å²	109.5	69%	0.692	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-99.5	138.5	162.1	178.4	0	0	0	0	109.3
144	S	26.2	Very low	33.1	Very low	68 Å²	68	114.2 Å²	114.2	48%	0.476	59%	0.585	S	S	.	*			trans	-128.9	95.1	172.5	63.5	0	0	0	0	109.4
145	H	28	Very low	33.4	Very low	175 Å²	175	114 Å²	114	81%	0.81	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-77.6	134.6	168.4	-83.5	-87.9	0	0	0	110.9
146	F	30.7	Very low	33.1	Very low	119 Å²	119	112.2 Å²	112.2	52%	0.522	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-99.7	131.5	162.5	-65.1	-77.8	0	0	0	109.6	K163	F146-K163 HydrophobicContact CE1-CG 4.26Å
147	S	30.3	Very low	33.3	Very low	99 Å²	99	112.5 Å²	112.5	69%	0.692	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-86.8	145.4	168.2	-169.2	0	0	0	0	110.2
148	R	34.7	Very low	33.4	Very low	161 Å²	161	114.3 Å²	114.3	61%	0.608	60%	0.603	S	S	*	*			trans	-126.1	124.9	170.2	-116.3	174.5	155.8	158.2	-10.7	106.1	K161	R148-K161 HydrophobicContact CG-CG 4.35Å
149	Q	37.4	Very low	33.6	Very low	108 Å²	108	115.1 Å²	115.1	51%	0.505	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.5	135	177.7	-165.3	167.1	2.7	0	0	109.3	S160	Q149-S160 PolarHBondContact O-N 3.21Å
150	E	38.4	Very low	33.8	Very low	94 Å²	94	114.5 Å²	114.5	44%	0.439	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	133.7	175.7	-53.6	-165.6	144.3	0	0	108.5	K157 M159	E150-K157 WeakPolarHBondContact OE1-CE 3.48Å; E150-K157 IonicContact OE1-NZ 3.66Å; E150-K157 PolarHBondContact OE1-NZ 3.45Å; E150-K157 WeakPolarHBondContact OE2-CE 3.4Å; E150-K157 IonicContact OE2-NZ 3.92Å; E150-K157 PolarHBondContact OE2-NZ 2.66Å; E150-M159 HydrophobicContact CG-CE 4.14Å; E150-M159 HydrophobicContact CG-CG 4.48Å; E150-M159 WeakPolarHBondContact OE1-CE 3.19Å
151	T	38.5	Very low	34	Very low	57 Å²	57	113.1 Å²	113.1	35%	0.35	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.6	142.3	175.9	40.6	0	0	0	0	110.3	K158	T151-K158 PolarHBondContact N-O 3.38Å; T151-K158 PolarHBondContact O-N 3.42Å; T151-K158 VanDerWaalsContact O-O 3.07Å
152	Y	39.9	Very low	34.2	Very low	149 Å²	149	112.2 Å²	112.2	58%	0.584	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.8	130.2	176.1	-69.1	-104.7	0	0	0	108.6	V156 K157	Y152-V156 WeakPolarHBondContact CA-O 3.46Å; Y152-K157 HydrophobicContact CD1-CB 3.99Å; Y152-K157 HydrophobicContact CE1-CB 3.61Å; Y152-K157 HydrophobicContact CE1-CD 4.35Å; Y152-K157 HydrophobicContact CE1-CG 3.99Å; Y152-K157 HydrophobicContact CE2-CD 4.48Å; Y152-K157 HydrophobicContact CE2-CG 4.16Å; Y152-K157 WeakPolarHBondContact OH-CD 3.37Å
153	V	38.9	Very low	34.2	Very low	91 Å²	91	110.2 Å²	110.2	55%	0.552	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.2	125	175.7	-177.2	0	0	0	0	107.5	G155 V156	V153-G155 PolarHBondContact O-N 2.91Å; V153-G155 VanDerWaalsContact O-N 3.17Å; V153-V156 PolarHBondContact N-O 2.9Å; V153-V156 PolarHBondContact O-N 2.88Å
154	N	34.6	Very low	34.5	Very low	166 Å²	166	111.4 Å²	111.4	89%	0.888	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.8	40.4	-175.9	-60.2	-4.6	0	0	0	113.4	V156	N154-V156 VanDerWaalsContact C-N 3.3Å; N154-V156 PolarHBondContact O-N 3.22Å
155	G	41.8	Very low	34.8	Very low	70 Å²	70	116.8 Å²	116.8	72%	0.722	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.5	-19.3	179	0	0	0	0	0	115.5	V153	V153-G155 PolarHBondContact O-N 2.91Å; V153-G155 VanDerWaalsContact O-N 3.17Å
156	V	28.9	Very low	35	Very low	102 Å²	102	111.2 Å²	111.2	62%	0.618	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.7	135.6	-177.4	-175.1	0	0	0	0	111	Y152 V153 N154	Y152-V156 WeakPolarHBondContact CA-O 3.46Å; V153-V156 PolarHBondContact N-O 2.9Å; V153-V156 PolarHBondContact O-N 2.88Å; N154-V156 VanDerWaalsContact C-N 3.3Å; N154-V156 PolarHBondContact O-N 3.22Å
157	K	39.1	Very low	35.1	Very low	94 Å²	94	112 Å²	112	41%	0.409	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78	119.9	177	-171.4	177.9	-174.5	166.3	0	110.7	E150 Y152	E150-K157 WeakPolarHBondContact OE1-CE 3.48Å; E150-K157 IonicContact OE1-NZ 3.66Å; E150-K157 PolarHBondContact OE1-NZ 3.45Å; E150-K157 WeakPolarHBondContact OE2-CE 3.4Å; E150-K157 IonicContact OE2-NZ 3.92Å; E150-K157 PolarHBondContact OE2-NZ 2.66Å; Y152-K157 HydrophobicContact CD1-CB 3.99Å; Y152-K157 HydrophobicContact CE1-CB 3.61Å; Y152-K157 HydrophobicContact CE1-CD 4.35Å; Y152-K157 HydrophobicContact CE1-CG 3.99Å; Y152-K157 HydrophobicContact CE2-CD 4.48Å; Y152-K157 HydrophobicContact CE2-CG 4.16Å; Y152-K157 WeakPolarHBondContact OH-CD 3.37Å
158	K	33.7	Very low	35.2	Very low	130 Å²	130	111.9 Å²	111.9	57%	0.565	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.5	133.3	164.8	-92.3	-169.5	168.8	-173.7	0	110.8	T151	T151-K158 PolarHBondContact N-O 3.38Å; T151-K158 PolarHBondContact O-N 3.42Å; T151-K158 VanDerWaalsContact O-O 3.07Å
159	M	38.3	Very low	35.2	Very low	98 Å²	98	109.5 Å²	109.5	48%	0.483	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.8	151	163.6	-84.4	-159.2	166.6	0	0	110	E150	E150-M159 HydrophobicContact CG-CE 4.14Å; E150-M159 HydrophobicContact CG-CG 4.48Å; E150-M159 WeakPolarHBondContact OE1-CE 3.19Å
160	S	35.3	Very low	35	Very low	58 Å²	58	110.5 Å²	110.5	41%	0.406	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	148.5	160.8	65.5	0	0	0	0	111.6	Q149	Q149-S160 PolarHBondContact O-N 3.21Å
161	K	33.1	Very low	35	Very low	141 Å²	141	112.6 Å²	112.6	61%	0.613	57%	0.567	S	S	*	*			trans	-138.6	92.3	173	-74.7	-174.6	-179.6	178.6	0	109.6	R148	R148-K161 HydrophobicContact CG-CG 4.35Å
162	S	33.3	Very low	34.8	Very low	72 Å²	72	110.7 Å²	110.7	50%	0.503	56%	0.559	S	S	.	*			trans	-78.9	138.5	174.4	-51.7	0	0	0	0	111.3
163	K	30.1	Very low	34.4	Very low	163 Å²	163	109.1 Å²	109.1	71%	0.709	57%	0.567	S	S	*	*			trans	-126.2	60.1	-176.6	-163	-174.9	179.6	173.5	0	112.5	F146 R165	F146-K163 HydrophobicContact CE1-CG 4.26Å; K163-R165 PolarHBondContact O-N 3.03Å
164	F	34.4	Very low	34.3	Very low	125 Å²	125	112.8 Å²	112.8	55%	0.548	58%	0.584	S	S	.	*			trans	-57.3	115.5	179.9	-62.4	-56.1	0	0	0	113	A166 L181 D183	F164-A166 PolarHBondContact O-N 3.09Å; F164-L181 HydrophobicContact CB-CD1 3.99Å; F164-L181 HydrophobicContact CB-CD2 3.7Å; F164-L181 HydrophobicContact CB-CG 4.46Å; F164-L181 HydrophobicContact CD1-CD1 3.92Å; F164-L181 HydrophobicContact CG-CD1 4.08Å; F164-D183 VanDerWaalsContact CE1-OD2 3.28Å; F164-D183 WeakPolarHBondContact CE1-OD2 3.41Å
165	R	30.7	Very low	34.6	Very low	180 Å²	180	107.4 Å²	107.4	68%	0.679	57%	0.568	S	S	*	*			trans	-97.5	74	-178.6	-166.9	175.2	-178.6	159.2	0	112.4	K163 F167 L181	K163-R165 PolarHBondContact O-N 3.03Å; R165-F167 HydrophobicContact CG-CE2 3.87Å; R165-F167 HydrophobicContact CG-CZ 4.18Å; R165-L181 VanDerWaalsContact C-CD2 3.46Å
166	A	32.4	Very low	34.5	Very low	59 Å²	59	105.5 Å²	105.5	49%	0.488	55%	0.548	S	S	.	.			trans	-70.7	133.7	179.5	0	0	0	0	0	112.5	F164 V179 L181	F164-A166 PolarHBondContact O-N 3.09Å; A166-V179 HydrophobicContact CB-CG1 3.66Å; A166-L181 HydrophobicContact CB-CD2 3.9Å; A166-L181 VanDerWaalsContact N-CD2 3.3Å
167	F	33.4	Very low	34.7	Very low	135 Å²	135	107.7 Å²	107.7	59%	0.592	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	143.3	165.4	-68.1	-73.2	0	0	0	110.1	R165 V179	R165-F167 HydrophobicContact CG-CE2 3.87Å; R165-F167 HydrophobicContact CG-CZ 4.18Å; F167-V179 WeakPolarHBondContact O-CA 3.19Å
168	V	32.9	Very low	34.4	Very low	96 Å²	96	109.8 Å²	109.8	58%	0.582	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.6	114.9	-177.9	-167.4	0	0	0	0	109.2	F177 Q178 V179	V168-F177 HydrophobicContact CG1-CB 3.77Å; V168-F177 HydrophobicContact CG1-CD1 3.68Å; V168-F177 HydrophobicContact CG1-CG 4.1Å; V168-Q178 WeakPolarHBondContact CA-O 3.45Å; V168-V179 HydrophobicContact CB-CG2 4.46Å; V168-V179 HydrophobicContact CG1-CG2 4.42Å; V168-V179 HydrophobicContact CG2-CG2 3.97Å
169	E	34.3	Very low	34.3	Very low	111 Å²	111	107.2 Å²	107.2	52%	0.519	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.5	139.1	172.2	-162.8	-175.2	-177.3	0	0	109.7	K171 F177 Q178	E169-K171 WeakPolarHBondContact OE1-CE 3.49Å; E169-K171 IonicContact OE1-NZ 3.08Å; E169-K171 PolarHBondContact OE1-NZ 3.47Å; E169-K171 WeakPolarHBondContact OE2-CE 3.25Å; E169-K171 IonicContact OE2-NZ 3.85Å; E169-K171 PolarHBondContact OE2-NZ 2.84Å; E169-F177 VanDerWaalsContact O-CA 3.29Å; E169-F177 WeakPolarHBondContact O-CA 3.41Å; E169-Q178 PolarHBondContact N-O 3.01Å; E169-Q178 PolarHBondContact O-N 3.08Å
170	Y	33.3	Very low	34.1	Very low	129 Å²	129	110.4 Å²	110.4	51%	0.506	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.6	131.9	177.3	179.2	-120.7	0	0	0	110.8	G172 G176 F177	Y170-G172 WeakPolarHBondContact CE2-O 3.46Å; Y170-G172 VanDerWaalsContact CZ-CA 3.42Å; Y170-G172 VanDerWaalsContact OH-C 3.23Å; Y170-G172 WeakPolarHBondContact OH-CA 3.3Å; Y170-G176 WeakPolarHBondContact CD2-O 3.44Å; Y170-F177 AromaticContact CD2-CD1 3.66Å; Y170-F177 HydrophobicContact CD2-CD1 3.66Å; Y170-F177 HydrophobicContact CD2-CD2 4.21Å; Y170-F177 AromaticContact CD2-CE1 3.33Å; Y170-F177 HydrophobicContact CD2-CE1 3.33Å; Y170-F177 AromaticContact CD2-CE2 3.9Å; Y170-F177 HydrophobicContact CD2-CE2 3.9Å; Y170-F177 HydrophobicContact CD2-CG 4.11Å; Y170-F177 AromaticContact CD2-CZ 3.45Å; Y170-F177 HydrophobicContact CD2-CZ 3.45Å; Y170-F177 VanDerWaalsContact CD2-CZ 3.45Å; Y170-F177 HydrophobicContact CE2-CE1 4.23Å; Y170-F177 HydrophobicContact CE2-CE2 4.11Å; Y170-F177 AromaticContact CE2-CZ 3.89Å; Y170-F177 HydrophobicContact CE2-CZ 3.89Å; Y170-F177 HydrophobicContact CG-CD1 4.12Å; Y170-F177 AromaticContact CG-CE1 3.69Å; Y170-F177 HydrophobicContact CG-CE1 3.69Å; Y170-F177 HydrophobicContact CG-CZ 4.14Å
171	K	38.8	Very low	33.8	Very low	138 Å²	138	112 Å²	112	60%	0.6	57%	0.57	S	S	*	*			trans	-122	26.2	-177.9	-56.2	-151.8	-178.3	-155.6	0	115	E169 G176	E169-K171 WeakPolarHBondContact OE1-CE 3.49Å; E169-K171 IonicContact OE1-NZ 3.08Å; E169-K171 PolarHBondContact OE1-NZ 3.47Å; E169-K171 WeakPolarHBondContact OE2-CE 3.25Å; E169-K171 IonicContact OE2-NZ 3.85Å; E169-K171 PolarHBondContact OE2-NZ 2.84Å; K171-G176 PolarHBondContact N-O 2.84Å; K171-G176 VanDerWaalsContact N-O 3.13Å
172	G	32.7	Very low	33.7	Very low	17 Å²	17	110 Å²	110	18%	0.175	58%	0.575	C	S	.	*			trans	92.8	-176.8	174.8	0	0	0	0	0	114.2	Y170 D174 G175 G176	Y170-G172 WeakPolarHBondContact CE2-O 3.46Å; Y170-G172 VanDerWaalsContact CZ-CA 3.42Å; Y170-G172 VanDerWaalsContact OH-C 3.23Å; Y170-G172 WeakPolarHBondContact OH-CA 3.3Å; G172-D174 PolarHBondContact O-N 3.06Å; G172-G175 PolarHBondContact O-N 2.67Å; G172-G176 PolarHBondContact O-N 3.32Å
173	P	32.9	Very low	33.6	Very low	117 Å²	117	111.6 Å²	111.6	76%	0.76	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-45	-170.3	-27.5	36.4	0	0	0	114.1
174	D	36.8	Very low	33.6	Very low	168 Å²	168	107.1 Å²	107.1	90%	0.898	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-10.2	-175.5	-47.3	-67.7	0	0	0	113.3	G172	G172-D174 PolarHBondContact O-N 3.06Å
175	G	40.7	Very low	33.3	Very low	53 Å²	53	108.5 Å²	108.5	55%	0.546	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	-19.8	-175.8	0	0	0	0	0	115.3	G172	G172-G175 PolarHBondContact O-N 2.67Å
176	G	39.4	Very low	33.3	Very low	30 Å²	30	108.1 Å²	108.1	31%	0.309	60%	0.596	S	S	.	*			trans	64.8	-146.4	177.1	0	0	0	0	0	114.8	Y170 K171 G172	Y170-G176 WeakPolarHBondContact CD2-O 3.44Å; K171-G176 PolarHBondContact N-O 2.84Å; K171-G176 VanDerWaalsContact N-O 3.13Å; G172-G176 PolarHBondContact O-N 3.32Å
177	F	33.8	Very low	33.1	Very low	148 Å²	148	112 Å²	112	65%	0.649	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.1	141.7	-176.3	-62.2	-88.2	0	0	0	111.2	V168 E169 Y170	V168-F177 HydrophobicContact CG1-CB 3.77Å; V168-F177 HydrophobicContact CG1-CD1 3.68Å; V168-F177 HydrophobicContact CG1-CG 4.1Å; E169-F177 VanDerWaalsContact O-CA 3.29Å; E169-F177 WeakPolarHBondContact O-CA 3.41Å; Y170-F177 AromaticContact CD2-CD1 3.66Å; Y170-F177 HydrophobicContact CD2-CD1 3.66Å; Y170-F177 HydrophobicContact CD2-CD2 4.21Å; Y170-F177 AromaticContact CD2-CE1 3.33Å; Y170-F177 HydrophobicContact CD2-CE1 3.33Å; Y170-F177 AromaticContact CD2-CE2 3.9Å; Y170-F177 HydrophobicContact CD2-CE2 3.9Å; Y170-F177 HydrophobicContact CD2-CG 4.11Å; Y170-F177 AromaticContact CD2-CZ 3.45Å; Y170-F177 HydrophobicContact CD2-CZ 3.45Å; Y170-F177 VanDerWaalsContact CD2-CZ 3.45Å; Y170-F177 HydrophobicContact CE2-CE1 4.23Å; Y170-F177 HydrophobicContact CE2-CE2 4.11Å; Y170-F177 AromaticContact CE2-CZ 3.89Å; Y170-F177 HydrophobicContact CE2-CZ 3.89Å; Y170-F177 HydrophobicContact CG-CD1 4.12Å; Y170-F177 AromaticContact CG-CE1 3.69Å; Y170-F177 HydrophobicContact CG-CE1 3.69Å; Y170-F177 HydrophobicContact CG-CZ 4.14Å
178	Q	31.8	Very low	32.9	Very low	137 Å²	137	112.9 Å²	112.9	64%	0.64	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-133.5	152.7	177.9	-161.7	177.2	59.9	0	0	112.5	V168 E169	V168-Q178 WeakPolarHBondContact CA-O 3.45Å; E169-Q178 PolarHBondContact N-O 3.01Å; E169-Q178 PolarHBondContact O-N 3.08Å
179	V	31.7	Very low	32.5	Very low	77 Å²	77	115.1 Å²	115.1	47%	0.467	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.4	145.7	-173.5	-177.9	0	0	0	0	112	A166 F167 V168	A166-V179 HydrophobicContact CB-CG1 3.66Å; F167-V179 WeakPolarHBondContact O-CA 3.19Å; V168-V179 HydrophobicContact CB-CG2 4.46Å; V168-V179 HydrophobicContact CG1-CG2 4.42Å; V168-V179 HydrophobicContact CG2-CG2 3.97Å
180	K	34	Very low	32	Very low	164 Å²	164	114.3 Å²	114.3	71%	0.713	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.9	160.9	173.9	-68.8	-172.7	177.8	-178.3	0	112.1
181	L	29.9	Very low	31.7	Very low	92 Å²	92	114.1 Å²	114.1	48%	0.482	63%	0.626	S	S	.	*			trans	-145.4	159.5	-173.2	-68.3	177.4	0	0	0	112.2	F164 R165 A166	F164-L181 HydrophobicContact CB-CD1 3.99Å; F164-L181 HydrophobicContact CB-CD2 3.7Å; F164-L181 HydrophobicContact CB-CG 4.46Å; F164-L181 HydrophobicContact CD1-CD1 3.92Å; F164-L181 HydrophobicContact CG-CD1 4.08Å; R165-L181 VanDerWaalsContact C-CD2 3.46Å; A166-L181 HydrophobicContact CB-CD2 3.9Å; A166-L181 VanDerWaalsContact N-CD2 3.3Å
182	S	30.7	Very low	31	Very low	100 Å²	100	115 Å²	115	70%	0.699	64%	0.638	S	S	*	*			trans	-166.4	141.8	175.9	58.2	0	0	0	0	111.4
183	D	30.8	Very low	30.6	Very low	104 Å²	104	122.8 Å²	122.8	56%	0.556	67%	0.67	S	S	*	*			trans	-128.7	173.7	-173.4	-58.5	-68.1	0	0	0	113.5	F164	F164-D183 VanDerWaalsContact CE1-OD2 3.28Å; F164-D183 WeakPolarHBondContact CE1-OD2 3.41Å
184	G	29.7	Very low	30.2	Very low	69 Å²	69	124.3 Å²	124.3	71%	0.711	67%	0.667	S	S	*	*			trans	176.2	149.8	175.7	0	0	0	0	0	112.8
185	D	28.9	Very low	29.6	Very low	154 Å²	154	123 Å²	123	82%	0.824	66%	0.655	S	S	*	*			trans	-125.1	-166.3	-152.5	-69.7	-68.3	0	0	0	116.8
186	E	31.1	Very low	28.8	Very low	173 Å²	173	127.7 Å²	127.7	81%	0.808	67%	0.668	S	S	*	*			trans	99.6	104.8	161	-45.9	-157.2	131.3	0	0	118.4
187	F	27.2	Very low	28.1	Very low	141 Å²	141	132.9 Å²	132.9	62%	0.618	69%	0.688	S	S	*	*				79.8	126	83.7	-73.7	-72.4	0	0	0	113.7
188	E	28.5	Very low	27.7	Very low	153 Å²	153	131.8 Å²	131.8	72%	0.715	69%	0.689	S	S	*	*			cis	90.9	136	36.9	-75.5	170.4	-157.2	0	0	113.1
189	L	25.2	Very low	27.3	Very low	143 Å²	143	130.3 Å²	130.3	75%	0.749	69%	0.69	S	S	*	*			cis	-137	-161.9	6.6	-79.3	128.9	0	0	0	109.8	E191	L189-E191 WeakPolarHBondContact CD2-OE2 3.16Å
190	S	25.2	Very low	27	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	70%	0.702	S	S	*	*			cis	-145.6	-176.4	6.6	67.6	0	0	0	0	110.2
191	E	25.7	Very low	26.5	Very low	125 Å²	125	131.3 Å²	131.3	58%	0.584	71%	0.708	S	S	*	*			cis	72.3	133.9	25	-53.9	92.9	-124.1	0	0	117.4	L189	L189-E191 WeakPolarHBondContact CD2-OE2 3.16Å
192	D	24.5	Very low	26.3	Very low	157 Å²	157	131.7 Å²	131.7	84%	0.84	72%	0.718	S	S	*	*			cis	-133.1	-121	-19.5	-84.5	-38.9	0	0	0	113.5
193	E	24.7	Very low	26	Very low	181 Å²	181	135.6 Å²	135.6	85%	0.846	73%	0.725	S	S	*	*			cis	-152.6	-145.8	13	-156.4	170.1	-114.9	0	0	111.5
194	Q	24.4	Very low	25.7	Very low	149 Å²	149	135.7 Å²	135.7	70%	0.696	73%	0.734	S	S	*	*			trans	-128.1	-173.9	-163.8	-58.7	149.5	-110.5	0	0	114.6
195	E	24.3	Very low	25.3	Very low	141 Å²	141	137.9 Å²	137.9	66%	0.659	74%	0.737	S	S	*	*			cis	-164.3	167.9	0.6	-143.5	120.8	-109.4	0	0	112.1
196	D	24.2	Very low	25.1	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	74%	0.74	S	S	*	*			trans	38.3	160.6	146.7	-70.3	7.1	0	0	0	125.4
197	D	24.3	Very low	24.7	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	73%	0.73	S	S	*	*			cis	-166.8	169.2	-18.6	-176.5	32.3	0	0	0	112
198	D	24.2	Very low	24.6	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	74%	0.74	S	S	*	*			trans	66.8	103.8	152.4	-121.2	18.3	0	0	0	125.8
199	T	24.5	Very low	24.5	Very low	107 Å²	107	138.4 Å²	138.4	66%	0.656	74%	0.741	S	S	*	*				75.5	120.9	112.5	-70.7	0	0	0	0	126.3
200	S	24.7	Very low	24.4	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	74%	0.739	S	S	*	*			trans	81	157.8	143.9	84.2	0	0	0	0	120.6
201	L	24.8	Very low	24.5	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	74%	0.742	S	S	*	*			cis	-160.9	-175.5	-8.8	-126.8	172.2	0	0	0	111.3
202	S	24.8	Very low	24.7	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	75%	0.754	S	S	*	*			trans	74.2	152.2	169.2	81	0	0	0	0	116.1
203	Q	24.1	Very low	24.8	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	75%	0.754	S	S	*	*			cis	-157.5	169.6	-5.9	-124.3	171.9	-0.8	0	0	106.4
204	S	23.9	Very low	25.1	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	76%	0.755	S	S	*	*			cis	-156.6	172.8	5	49.6	0	0	0	0	110
205	C	22.3	Very low	25.4	Very low	116 Å²	116	137.6 Å²	137.6	78%	0.784	76%	0.755	S	S	*	*			trans	-89.9	172.8	-179.4	-45.8	0	0	0	0	113.6
206	Y	24.4	Very low	25.7	Very low	225 Å²	225	137.7 Å²	137.7	88%	0.882	77%	0.766	S	S	*	*				-171.6	142.8	123.8	-111.7	-77.5	0	0	0	114.1
207	S	24.1	Very low	26.1	Very low	87 Å²	87	133.9 Å²	133.9	61%	0.608	76%	0.762	S	S	*	*			trans	9.1	142.8	161.5	57.9	0	0	0	0	122.3
208	E	23.9	Very low	27.1	Very low	173 Å²	173	133.3 Å²	133.3	81%	0.808	77%	0.766	S	S	*	*				65.7	144.1	53.3	-64.7	179.8	177.8	0	0	113.5
209	I	26.3	Very low	27.8	Very low	146 Å²	146	132.5 Å²	132.5	75%	0.749	77%	0.77	S	S	*	*			cis	-153.4	172.8	18.8	-132.7	154.4	0	0	0	113.9
210	D	23.4	Very low	29	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	77%	0.772	S	S	*	*			trans	-26	173.9	163.3	-146.5	47.1	0	0	0	119.5
211	S	26.8	Very low	30	Very low	102 Å²	102	135 Å²	135	71%	0.713	77%	0.77	S	S	*	*			cis	-158	-171.3	34	-59.3	0	0	0	0	116.5
212	E	29.7	Very low	31.6	Very low	178 Å²	178	131.9 Å²	131.9	83%	0.832	76%	0.757	S	S	*	*			trans	-84.8	173.5	-173.1	-44.7	172.8	102.9	0	0	117.6
213	S	27.6	Very low	33.5	Very low	120 Å²	120	133 Å²	133	84%	0.839	76%	0.756	S	S	*	*				157.3	151.2	114.4	54.7	0	0	0	0	115.5
214	D	30	Very low	35.7	Very low	161 Å²	161	129.2 Å²	129.2	86%	0.861	74%	0.74	S	S	*	*			trans	-158.3	124.4	178.4	-176	17.3	0	0	0	112.7
215	I	31.1	Very low	38.2	Very low	137 Å²	137	128.9 Å²	128.9	70%	0.703	73%	0.73	S	S	*	*			trans	-151.2	116.3	-169.4	-60.5	-170.8	0	0	0	115.8
216	T	29.8	Very low	41.2	Very low	143 Å²	143	124.9 Å²	124.9	88%	0.877	70%	0.7	S	S	*	*			trans	71.9	162	151.5	66.8	0	0	0	0	124
217	G	33.9	Very low	44.5	Very low	70 Å²	70	115.6 Å²	115.6	72%	0.722	66%	0.663	S	S	*	*			trans	-170.2	176	165.1	0	0	0	0	0	115.2
218	P	44	Very low	47.6	Very low	128 Å²	128	114.2 Å²	114.2	83%	0.831	65%	0.645	S	S	*	*			trans	-112.3	-178.7	177.6	8.6	16.4	0	0	0	113.2
219	S	40.1	Very low	50.8	Low	108 Å²	108	109.2 Å²	109.2	76%	0.755	62%	0.622	S	S	*	*			cis	-161.6	173.1	-17.5	57.6	0	0	0	0	109.3
220	P	49.8	Very low	53.9	Low	108 Å²	108	107.4 Å²	107.4	70%	0.701	61%	0.608	S	S	*	*			trans	-119.4	136.6	-160.5	38.5	-27.5	0	0	0	120.4	K226	P220-K226 HydrophobicContact CB-CD 4.39Å
221	K	44.3	Very low	57.2	Low	155 Å²	155	101 Å²	101	67%	0.674	57%	0.574	S	S	*	*	S	Bend	trans	-79.2	179.5	150.9	-46.4	179.9	-180	-177.6	0	111.2	K226	K221-K226 HydrophobicContact CB-CD 4.43Å; K221-K226 HydrophobicContact CB-CG 3.78Å; K221-K226 HydrophobicContact CG-CG 4.42Å; K221-K226 WeakPolarHBondContact O-CE 3.22Å; K221-K226 PolarHBondContact O-NZ 3.38Å
222	T	59.3	Low	60.5	Low	93 Å²	93	98.7 Å²	98.7	57%	0.571	55%	0.55	S	S	*	.			trans	-43.8	137.7	169.5	33.6	0	0	0	0	112.6	D225 K226	T222-D225 WeakPolarHBondContact CB-OD2 3.45Å; T222-D225 PolarHBondContact O-N 2.93Å; T222-D225 WeakPolarHBondContact OG1-CB 3.33Å; T222-D225 PolarHBondContact OG1-OD2 2.97Å; T222-K226 WeakPolarHBondContact O-CB 3.43Å; T222-K226 WeakPolarHBondContact O-CG 3.21Å; T222-K226 PolarHBondContact O-N 3.39Å
223	D	64	Low	63.4	Low	122 Å²	122	96.8 Å²	96.8	65%	0.652	54%	0.536	S	S	*	.	H	α-helix	trans	-76.2	-38.6	-162.3	-150.6	49	0	0	0	114.5	K226 R227	D223-K226 PolarHBondContact O-N 3.12Å; D223-K226 IonicContact OD1-NZ 3.13Å; D223-K226 PolarHBondContact OD1-NZ 3.42Å; D223-R227 VanDerWaalsContact O-CB 3.24Å; D223-R227 WeakPolarHBondContact O-CB 3.47Å; D223-R227 PolarHBondContact O-N 3.03Å
224	L	71.5	Confident	66.2	Low	102 Å²	102	91.7 Å²	91.7	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-45.3	171.4	-69.9	172.1	0	0	0	111.9	R227 Y228	L224-R227 WeakPolarHBondContact O-CB 3.41Å; L224-R227 PolarHBondContact O-N 3.32Å; L224-R227 VanDerWaalsContact O-N 3.17Å; L224-Y228 WeakPolarHBondContact O-CD2 3.45Å; L224-Y228 PolarHBondContact O-N 2.92Å
225	D	76.2	Confident	69.3	Low	99 Å²	99	84 Å²	84	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-67.8	-38	179.3	-55.4	-57.4	0	0	0	111.8	T222 R227 Q229	T222-D225 WeakPolarHBondContact CB-OD2 3.45Å; T222-D225 PolarHBondContact O-N 2.93Å; T222-D225 WeakPolarHBondContact OG1-CB 3.33Å; T222-D225 PolarHBondContact OG1-OD2 2.97Å; D225-R227 VanDerWaalsContact C-N 3.34Å; D225-Q229 WeakPolarHBondContact O-CB 3.32Å; D225-Q229 PolarHBondContact O-N 2.89Å
226	K	85.1	Confident	72.3	Confident	33 Å²	33	80.9 Å²	80.9	14%	0.143	44%	0.441	C	S	.	.	H	α-helix	trans	-59.9	-44.4	169.3	-85.5	-150.9	-80	26	0	112	P220 K221 T222 D223 Q229 K230	P220-K226 HydrophobicContact CB-CD 4.39Å; K221-K226 HydrophobicContact CB-CD 4.43Å; K221-K226 HydrophobicContact CB-CG 3.78Å; K221-K226 HydrophobicContact CG-CG 4.42Å; K221-K226 WeakPolarHBondContact O-CE 3.22Å; K221-K226 PolarHBondContact O-NZ 3.38Å; T222-K226 WeakPolarHBondContact O-CB 3.43Å; T222-K226 WeakPolarHBondContact O-CG 3.21Å; T222-K226 PolarHBondContact O-N 3.39Å; D223-K226 PolarHBondContact O-N 3.12Å; D223-K226 IonicContact OD1-NZ 3.13Å; D223-K226 PolarHBondContact OD1-NZ 3.42Å; K226-Q229 PolarHBondContact O-N 2.63Å; K226-K230 WeakPolarHBondContact O-CG 3.3Å; K226-K230 PolarHBondContact O-N 3.16Å
227	R	92.7	Very high	75.3	Confident	30 Å²	30	77.3 Å²	77.3	11%	0.113	42%	0.415	C	S	.	.	H	α-helix	trans	-61.2	-51.4	-179.5	-177.6	175.5	74.3	70.6	-18	110	D223 L224 D225 Q229 K230 A231 H385 D390	D223-R227 VanDerWaalsContact O-CB 3.24Å; D223-R227 WeakPolarHBondContact O-CB 3.47Å; D223-R227 PolarHBondContact O-N 3.03Å; L224-R227 WeakPolarHBondContact O-CB 3.41Å; L224-R227 PolarHBondContact O-N 3.32Å; L224-R227 VanDerWaalsContact O-N 3.17Å; D225-R227 VanDerWaalsContact C-N 3.34Å; R227-Q229 VanDerWaalsContact C-N 3.35Å; R227-Q229 PolarHBondContact O-N 3.06Å; R227-K230 PolarHBondContact O-N 3.36Å; R227-A231 PolarHBondContact O-N 2.96Å; R227-H385 WeakPolarHBondContact CD-O 3.35Å; R227-H385 HydrophobicContact CG-CB 4.32Å; R227-H385 WeakPolarHBondContact CG-O 3.29Å; R227-H385 PolarHBondContact NH1-O 3.45Å; R227-D390 IonicContact CZ-OD1 2.58Å; R227-D390 IonicContact CZ-OD2 2.8Å; R227-D390 VanDerWaalsContact CZ-OD2 3.25Å; R227-D390 IonicContact NH1-OD1 2.87Å; R227-D390 IonicContact NH1-OD2 3.94Å; R227-D390 PolarHBondContact NH1-OD2 2.96Å; R227-D390 IonicContact NH2-OD1 2.71Å; R227-D390 PolarHBondContact NH2-OD1 3.26Å; R227-D390 IonicContact NH2-OD2 3.49Å; R227-D390 PolarHBondContact NH2-OD2 2.87Å; R227-D390 VanDerWaalsContact NH2-OD2 3.09Å
228	Y	90.8	Very high	78	Confident	58 Å²	58	74.2 Å²	74.2	23%	0.227	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-35.1	173.9	-78.5	-65.8	0	0	0	113.4	L224 A231 W232 W300 K304 D390	L224-Y228 WeakPolarHBondContact O-CD2 3.45Å; L224-Y228 PolarHBondContact O-N 2.92Å; Y228-A231 PolarHBondContact O-N 3.17Å; Y228-W232 WeakPolarHBondContact O-CB 3.45Å; Y228-W232 PolarHBondContact O-N 2.93Å; Y228-W300 AromaticContact CD1-CH2 3.9Å; Y228-W300 HydrophobicContact CD1-CH2 3.9Å; Y228-W300 VanDerWaalsContact O-CH2 3.24Å; Y228-W300 WeakPolarHBondContact O-CH2 3.26Å; Y228-K304 HydrophobicContact CD1-CD 3.87Å; Y228-K304 HydrophobicContact CD1-CG 4.36Å; Y228-K304 HydrophobicContact CE1-CB 4.37Å; Y228-K304 HydrophobicContact CE1-CD 3.98Å; Y228-K304 HydrophobicContact CE1-CG 3.94Å; Y228-D390 PolarHBondContact OH-OD1 2.86Å; Y228-D390 VanDerWaalsContact OH-OD1 3.1Å
229	Q	91.1	Very high	80.5	Confident	68 Å²	68	68.3 Å²	68.3	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-39.3	175.7	-175.8	66.1	74.1	0	0	112.1	D225 K226 R227 W232 Y233	D225-Q229 WeakPolarHBondContact O-CB 3.32Å; D225-Q229 PolarHBondContact O-N 2.89Å; K226-Q229 PolarHBondContact O-N 2.63Å; R227-Q229 VanDerWaalsContact C-N 3.35Å; R227-Q229 PolarHBondContact O-N 3.06Å; Q229-W232 VanDerWaalsContact NE2-CE3 3.33Å; Q229-W232 PolarHBondContact O-N 3.24Å; Q229-Y233 HydrophobicContact CG-CD2 4.11Å; Q229-Y233 HydrophobicContact CG-CE2 3.64Å; Q229-Y233 WeakPolarHBondContact O-CD2 3.4Å; Q229-Y233 PolarHBondContact O-N 3.07Å
230	K	90.9	Very high	82.9	Confident	107 Å²	107	66.1 Å²	66.1	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-68.5	-42.4	173.2	-70.7	178.9	-179.1	-176.6	0	111.7	K226 R227 W232 Y233 A234 H385	K226-K230 WeakPolarHBondContact O-CG 3.3Å; K226-K230 PolarHBondContact O-N 3.16Å; R227-K230 PolarHBondContact O-N 3.36Å; K230-W232 VanDerWaalsContact C-N 3.31Å; K230-W232 PolarHBondContact O-N 3Å; K230-Y233 PolarHBondContact O-N 3.25Å; K230-A234 PolarHBondContact O-N 2.74Å; K230-H385 HydrophobicContact CB-CB 4.26Å
231	A	92.6	Very high	84.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58	-43.3	173.1	0	0	0	0	0	111.4	R227 Y228 A234 A235 W300 Y382 H385 L386	R227-A231 PolarHBondContact O-N 2.96Å; Y228-A231 PolarHBondContact O-N 3.17Å; A231-A234 PolarHBondContact O-N 2.99Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.32Å; A231-W300 HydrophobicContact CB-CH2 4.05Å; A231-W300 HydrophobicContact CB-CZ2 3.89Å; A231-Y382 HydrophobicContact CB-CD2 4.25Å; A231-Y382 HydrophobicContact CB-CE2 4Å; A231-Y382 VanDerWaalsContact O-CD2 3.28Å; A231-Y382 WeakPolarHBondContact O-CD2 3.15Å; A231-Y382 WeakPolarHBondContact O-CE2 3.5Å; A231-H385 HydrophobicContact CB-CB 3.84Å; A231-L386 HydrophobicContact CB-CD2 4.43Å
232	W	96	Very high	87.2	Confident	52 Å²	52	54 Å²	54	20%	0.197	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-43.5	174.7	-176.8	74	0	0	0	112.7	Y228 Q229 K230 A234 A235 K236 W300 H301	Y228-W232 WeakPolarHBondContact O-CB 3.45Å; Y228-W232 PolarHBondContact O-N 2.93Å; Q229-W232 VanDerWaalsContact NE2-CE3 3.33Å; Q229-W232 PolarHBondContact O-N 3.24Å; K230-W232 VanDerWaalsContact C-N 3.31Å; K230-W232 PolarHBondContact O-N 3Å; W232-A234 VanDerWaalsContact C-N 3.34Å; W232-A234 PolarHBondContact O-N 2.83Å; W232-A235 PolarHBondContact O-N 2.94Å; W232-K236 HydrophobicContact CH2-CD 3.8Å; W232-K236 HydrophobicContact CZ2-CD 4.1Å; W232-K236 HydrophobicContact CZ3-CD 4.11Å; W232-K236 VanDerWaalsContact O-CB 3.29Å; W232-K236 WeakPolarHBondContact O-CB 3.06Å; W232-K236 PolarHBondContact O-N 2.7Å; W232-W300 HydrophobicContact CB-CE3 3.96Å; W232-W300 HydrophobicContact CB-CH2 3.95Å; W232-W300 HydrophobicContact CB-CZ3 3.62Å; W232-W300 AromaticContact CD1-CD2 3.91Å; W232-W300 AromaticContact CD1-CE3 3.47Å; W232-W300 VanDerWaalsContact CD1-CE3 3.47Å; W232-W300 HydrophobicContact CG-CE3 4.08Å; W232-W300 HydrophobicContact CG-CZ3 4.2Å; W232-H301 AromaticContact CD1-CE1 3.89Å; W232-H301 AromaticContact CD1-NE2 3.73Å; W232-H301 AromaticContact CE2-CE1 3.87Å; W232-H301 AromaticContact CE2-NE2 3.44Å; W232-H301 AromaticContact CZ2-NE2 3.81Å; W232-H301 AromaticContact NE1-CD2 3.89Å; W232-H301 AromaticContact NE1-CE1 3.68Å; W232-H301 AromaticContact NE1-NE2 3.12Å; W232-H301 PolarHBondContact NE1-NE2 2.88Å; W232-H301 VanDerWaalsContact NE1-NE2 3.12Å
233	Y	91.6	Very high	88.9	Confident	139 Å²	139	53 Å²	53	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-39.1	176.2	-75.1	-56.4	0	0	0	112.4	Q229 K230 K236 E237	Q229-Y233 HydrophobicContact CG-CD2 4.11Å; Q229-Y233 HydrophobicContact CG-CE2 3.64Å; Q229-Y233 WeakPolarHBondContact O-CD2 3.4Å; Q229-Y233 PolarHBondContact O-N 3.07Å; K230-Y233 PolarHBondContact O-N 3.25Å; Y233-K236 PolarHBondContact O-N 2.68Å; Y233-E237 PolarHBondContact O-N 3.06Å
234	A	86.4	Confident	90.2	Very high	13 Å²	13	52.5 Å²	52.5	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-41.7	174.8	0	0	0	0	0	112.2	K230 A231 W232 K236 L238 E381 Y382	K230-A234 PolarHBondContact O-N 2.74Å; A231-A234 PolarHBondContact O-N 2.99Å; W232-A234 VanDerWaalsContact C-N 3.34Å; W232-A234 PolarHBondContact O-N 2.83Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-L238 PolarHBondContact O-N 3.21Å; A234-L238 VanDerWaalsContact O-N 3.08Å; A234-E381 HydrophobicContact CB-CG 4.38Å; A234-Y382 HydrophobicContact CB-CD2 4.29Å
235	A	94.6	Very high	91.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-39.2	172.9	0	0	0	0	0	111.9	A231 W232 L238 V239 I297 I306 Y382	A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.32Å; W232-A235 PolarHBondContact O-N 2.94Å; A235-L238 WeakPolarHBondContact O-CB 3.27Å; A235-L238 PolarHBondContact O-N 3.3Å; A235-V239 WeakPolarHBondContact O-CG2 3.37Å; A235-V239 PolarHBondContact O-N 3.07Å; A235-I297 HydrophobicContact CB-CD1 3.75Å; A235-I306 HydrophobicContact CB-CB 4.34Å; A235-I306 HydrophobicContact CB-CG1 4.41Å; A235-I306 HydrophobicContact CB-CG2 3.92Å; A235-Y382 HydrophobicContact CB-CD2 4.12Å; A235-Y382 HydrophobicContact CB-CE2 3.9Å
236	K	93.6	Very high	92.2	Very high	70 Å²	70	43.6 Å²	43.6	30%	0.304	19%	0.19	S	C	.	.	H	α-helix	trans	-67.2	-46.7	177.3	-167.4	-172.8	-173.5	-53.4	0	111.7	W232 Y233 A234 L238 V239 D240 I297	W232-K236 HydrophobicContact CH2-CD 3.8Å; W232-K236 HydrophobicContact CZ2-CD 4.1Å; W232-K236 HydrophobicContact CZ3-CD 4.11Å; W232-K236 VanDerWaalsContact O-CB 3.29Å; W232-K236 WeakPolarHBondContact O-CB 3.06Å; W232-K236 PolarHBondContact O-N 2.7Å; Y233-K236 PolarHBondContact O-N 2.68Å; A234-K236 VanDerWaalsContact C-N 3.34Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.41Å; K236-V239 PolarHBondContact O-N 3.47Å; K236-V239 VanDerWaalsContact O-N 3.08Å; K236-D240 IonicContact NZ-OD1 2.73Å; K236-D240 PolarHBondContact NZ-OD1 2.86Å; K236-D240 IonicContact NZ-OD2 2.7Å; K236-D240 PolarHBondContact NZ-OD2 2.75Å; K236-D240 WeakPolarHBondContact O-CB 3.4Å; K236-D240 PolarHBondContact O-N 3.28Å; K236-I297 HydrophobicContact CB-CD1 4.49Å
237	E	91.9	Very high	92.7	Very high	69 Å²	69	44.8 Å²	44.8	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-32	176.3	175.1	56.4	-165	0	0	111.8	Y233 V239 S241 R244 L378	Y233-E237 PolarHBondContact O-N 3.06Å; E237-V239 VanDerWaalsContact C-N 3.34Å; E237-V239 PolarHBondContact O-N 2.82Å; E237-S241 WeakPolarHBondContact O-CB 3.46Å; E237-S241 PolarHBondContact O-N 2.85Å; E237-S241 PolarHBondContact O-OG 2.86Å; E237-R244 VanDerWaalsContact CD-NH2 3.27Å; E237-R244 IonicContact OE1-CZ 3.41Å; E237-R244 IonicContact OE1-NH2 3.47Å; E237-R244 PolarHBondContact OE1-NH2 3.47Å; E237-R244 IonicContact OE2-NH2 2.79Å; E237-R244 PolarHBondContact OE2-NH2 2.84Å; E237-L378 HydrophobicContact CG-CD2 4.08Å
238	L	91.4	Very high	92.6	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-45.9	170.5	169	64	0	0	0	111.7	A234 A235 K236 S241 E242 L293 I306 V310 R371 Y375 L378	A234-L238 PolarHBondContact O-N 3.21Å; A234-L238 VanDerWaalsContact O-N 3.08Å; A235-L238 WeakPolarHBondContact O-CB 3.27Å; A235-L238 PolarHBondContact O-N 3.3Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.41Å; L238-S241 PolarHBondContact O-OG 2.91Å; L238-E242 WeakPolarHBondContact O-CB 3.1Å; L238-E242 PolarHBondContact O-N 3.47Å; L238-E242 VanDerWaalsContact O-N 3.11Å; L238-L293 HydrophobicContact CD2-CD2 4.33Å; L238-I306 HydrophobicContact CD2-CG1 4.09Å; L238-V310 HydrophobicContact CD2-CG2 3.88Å; L238-R371 PolarHBondContact O-NH2 3.29Å; L238-Y375 HydrophobicContact CD1-CD1 4.12Å; L238-Y375 HydrophobicContact CD1-CE1 4.38Å; L238-L378 HydrophobicContact CB-CB 4.47Å; L238-L378 HydrophobicContact CD1-CB 4.17Å; L238-L378 HydrophobicContact CD1-CD1 3.83Å
239	V	96.9	Very high	92.9	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-78.2	-45	-179.8	-169.7	0	0	0	0	112.6	A235 K236 E237 S241 E242 Q243 L290 L293 L294 I297 I306	A235-V239 WeakPolarHBondContact O-CG2 3.37Å; A235-V239 PolarHBondContact O-N 3.07Å; K236-V239 PolarHBondContact O-N 3.47Å; K236-V239 VanDerWaalsContact O-N 3.08Å; E237-V239 VanDerWaalsContact C-N 3.34Å; E237-V239 PolarHBondContact O-N 2.82Å; V239-S241 PolarHBondContact O-N 3.39Å; V239-E242 WeakPolarHBondContact O-CA 3.5Å; V239-E242 WeakPolarHBondContact O-CB 3.46Å; V239-E242 PolarHBondContact O-N 3.1Å; V239-Q243 PolarHBondContact O-N 3.39Å; V239-L290 HydrophobicContact CG1-CD1 4.23Å; V239-L293 HydrophobicContact CG1-CB 4.18Å; V239-L293 HydrophobicContact CG2-CB 3.89Å; V239-L294 HydrophobicContact CG1-CD2 3.75Å; V239-L294 HydrophobicContact CG1-CG 4.11Å; V239-I297 HydrophobicContact CB-CG2 4.4Å; V239-I297 HydrophobicContact CG1-CG2 4.22Å; V239-I297 HydrophobicContact CG2-CB 3.96Å; V239-I297 HydrophobicContact CG2-CG1 4.35Å; V239-I297 HydrophobicContact CG2-CG2 4.09Å; V239-I306 HydrophobicContact CG2-CD1 4.19Å
240	D	90.2	Very high	93.1	Very high	62 Å²	62	42.1 Å²	42.1	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-59.3	-35.6	176.8	-70.3	-4.9	0	0	0	111.5	K236 R244	K236-D240 IonicContact NZ-OD1 2.73Å; K236-D240 PolarHBondContact NZ-OD1 2.86Å; K236-D240 IonicContact NZ-OD2 2.7Å; K236-D240 PolarHBondContact NZ-OD2 2.75Å; K236-D240 WeakPolarHBondContact O-CB 3.4Å; K236-D240 PolarHBondContact O-N 3.28Å; D240-R244 WeakPolarHBondContact O-CG 3.49Å; D240-R244 PolarHBondContact O-N 2.9Å; D240-R244 PolarHBondContact O-NE 3.41Å
241	S	86.9	Confident	93.2	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-82.9	-16.8	174.7	68.6	0	0	0	0	113.7	E237 L238 V239 Y245 R371	E237-S241 WeakPolarHBondContact O-CB 3.46Å; E237-S241 PolarHBondContact O-N 2.85Å; E237-S241 PolarHBondContact O-OG 2.86Å; L238-S241 PolarHBondContact O-OG 2.91Å; V239-S241 PolarHBondContact O-N 3.39Å; S241-Y245 VanDerWaalsContact O-CB 3.3Å; S241-Y245 WeakPolarHBondContact O-CB 3.19Å; S241-Y245 PolarHBondContact O-N 3.33Å; S241-R371 VanDerWaalsContact CB-NH1 3.31Å; S241-R371 PolarHBondContact O-NH1 2.89Å; S241-R371 PolarHBondContact OG-NH1 2.98Å; S241-R371 PolarHBondContact OG-NH2 3.27Å
242	E	96.6	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-76.7	-44.1	170.1	-172.1	69.6	-174.5	0	0	110.8	L238 V239 Y245 V246 H285 F289 L290 L293 R371 Y375	L238-E242 WeakPolarHBondContact O-CB 3.1Å; L238-E242 PolarHBondContact O-N 3.47Å; L238-E242 VanDerWaalsContact O-N 3.11Å; V239-E242 WeakPolarHBondContact O-CA 3.5Å; V239-E242 WeakPolarHBondContact O-CB 3.46Å; V239-E242 PolarHBondContact O-N 3.1Å; E242-Y245 CarbonylContact O-C 3.59Å; E242-Y245 WeakPolarHBondContact O-CB 3.49Å; E242-Y245 PolarHBondContact O-N 2.94Å; E242-Y245 VanDerWaalsContact O-N 3.09Å; E242-V246 PolarHBondContact O-N 3.23Å; E242-H285 IonicContact OE1-CE1 3.69Å; E242-H285 IonicContact OE1-CG 2.64Å; E242-H285 IonicContact OE1-ND1 3.8Å; E242-H285 PolarHBondContact OE1-ND1 3.03Å; E242-F289 VanDerWaalsContact OE1-CD1 3.26Å; E242-F289 WeakPolarHBondContact OE1-CD1 3.4Å; E242-L290 HydrophobicContact CB-CD1 4.18Å; E242-L290 HydrophobicContact CG-CB 4.1Å; E242-L290 HydrophobicContact CG-CD1 4.01Å; E242-L293 HydrophobicContact CB-CD1 4.19Å; E242-L293 HydrophobicContact CG-CD1 3.91Å; E242-R371 VanDerWaalsContact CA-NH2 3.29Å; E242-R371 IonicContact OE2-CZ 2.84Å; E242-R371 IonicContact OE2-NE 2.97Å; E242-R371 PolarHBondContact OE2-NE 2.99Å; E242-R371 IonicContact OE2-NH2 3.94Å; E242-R371 PolarHBondContact OE2-NH2 3.34Å; E242-Y375 PolarHBondContact OE1-OH 3.47Å; E242-Y375 WeakPolarHBondContact OE2-CE1 2.97Å; E242-Y375 PolarHBondContact OE2-OH 2.89Å
243	Q	95.9	Very high	93.1	Very high	70 Å²	70	34.8 Å²	34.8	33%	0.327	16%	0.158	S	C	.	.	H	α-helix	trans	-54.1	-57.2	175.1	179.3	59.7	71	0	0	110.5	V239 Y245 V246 D247 L290	V239-Q243 PolarHBondContact O-N 3.39Å; Q243-Y245 PolarHBondContact O-N 3.44Å; Q243-Y245 VanDerWaalsContact O-N 3.13Å; Q243-V246 WeakPolarHBondContact O-CB 3.31Å; Q243-V246 PolarHBondContact O-N 3.12Å; Q243-D247 PolarHBondContact NE2-OD1 3.27Å; Q243-D247 PolarHBondContact NE2-OD2 3.04Å; Q243-D247 PolarHBondContact O-N 2.95Å; Q243-L290 HydrophobicContact CB-CD1 4.26Å
244	R	90.3	Very high	93.1	Very high	113 Å²	113	31 Å²	31	43%	0.426	15%	0.147	S	C	.	.	H	α-helix	trans	-52.4	-37.2	175.2	-73.9	175.8	-77.4	162.3	-4.9	113	E237 D240 K248	E237-R244 VanDerWaalsContact CD-NH2 3.27Å; E237-R244 IonicContact OE1-CZ 3.41Å; E237-R244 IonicContact OE1-NH2 3.47Å; E237-R244 PolarHBondContact OE1-NH2 3.47Å; E237-R244 IonicContact OE2-NH2 2.79Å; E237-R244 PolarHBondContact OE2-NH2 2.84Å; D240-R244 WeakPolarHBondContact O-CG 3.49Å; D240-R244 PolarHBondContact O-N 2.9Å; D240-R244 PolarHBondContact O-NE 3.41Å; R244-K248 WeakPolarHBondContact O-CG 3.28Å; R244-K248 PolarHBondContact O-N 3.41Å
245	Y	94.6	Very high	93.5	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-73.9	-38.6	178.6	174.2	-110.2	0	0	0	113.1	S241 E242 Q243 D247 K248 L249 H285 Y320 C367 P368 R371	S241-Y245 VanDerWaalsContact O-CB 3.3Å; S241-Y245 WeakPolarHBondContact O-CB 3.19Å; S241-Y245 PolarHBondContact O-N 3.33Å; E242-Y245 CarbonylContact O-C 3.59Å; E242-Y245 WeakPolarHBondContact O-CB 3.49Å; E242-Y245 PolarHBondContact O-N 2.94Å; E242-Y245 VanDerWaalsContact O-N 3.09Å; Q243-Y245 PolarHBondContact O-N 3.44Å; Q243-Y245 VanDerWaalsContact O-N 3.13Å; Y245-D247 VanDerWaalsContact C-N 3.27Å; Y245-D247 PolarHBondContact O-N 3.15Å; Y245-K248 PolarHBondContact O-N 2.91Å; Y245-L249 HydrophobicContact CD1-CD1 3.94Å; Y245-L249 HydrophobicContact CD1-CG 4.43Å; Y245-L249 HydrophobicContact CE1-CD1 3.26Å; Y245-L249 HydrophobicContact CE1-CG 3.88Å; Y245-L249 HydrophobicContact CE2-CD1 4.3Å; Y245-L249 HydrophobicContact CE2-CD2 4.35Å; Y245-L249 HydrophobicContact CE2-CG 3.99Å; Y245-L249 VanDerWaalsContact CZ-CD1 3.47Å; Y245-L249 PolarHBondContact O-N 3.4Å; Y245-H285 AromaticContact CE1-CD2 3.99Å; Y245-H285 AromaticContact CE1-CE1 3.96Å; Y245-H285 AromaticContact CE1-CG 3.97Å; Y245-H285 AromaticContact CE1-ND1 3.92Å; Y245-Y320 VanDerWaalsContact CE1-OH 3.24Å; Y245-Y320 WeakPolarHBondContact CE1-OH 3.27Å; Y245-Y320 VanDerWaalsContact OH-CE1 3.28Å; Y245-Y320 WeakPolarHBondContact OH-CE1 3.16Å; Y245-Y320 PolarHBondContact OH-OH 3.32Å; Y245-C367 HydrophobicContact CE2-CB 4.45Å; Y245-P368 HydrophobicContact CE2-CB 4.5Å; Y245-P368 HydrophobicContact CE2-CG 4.41Å; Y245-P368 WeakPolarHBondContact OH-CA 3.16Å; Y245-R371 HydrophobicContact CD1-CB 4.32Å; Y245-R371 HydrophobicContact CD1-CG 3.59Å; Y245-R371 HydrophobicContact CD2-CB 3.8Å; Y245-R371 HydrophobicContact CD2-CG 3.88Å; Y245-R371 HydrophobicContact CE1-CB 4.09Å; Y245-R371 HydrophobicContact CE1-CG 3.62Å; Y245-R371 HydrophobicContact CE2-CB 3.55Å; Y245-R371 HydrophobicContact CE2-CG 3.93Å; Y245-R371 HydrophobicContact CG-CB 4.18Å; Y245-R371 HydrophobicContact CG-CG 3.71Å
246	V	97	Very high	93.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-39.4	171.2	166.5	0	0	0	0	110.7	E242 Q243 K248 L249 K250 Y282 H285 N286 L290	E242-V246 PolarHBondContact O-N 3.23Å; Q243-V246 WeakPolarHBondContact O-CB 3.31Å; Q243-V246 PolarHBondContact O-N 3.12Å; V246-K248 PolarHBondContact O-N 3.32Å; V246-L249 PolarHBondContact O-N 2.92Å; V246-K250 WeakPolarHBondContact O-CB 3.29Å; V246-K250 PolarHBondContact O-N 3.17Å; V246-Y282 HydrophobicContact CG1-CD2 4.39Å; V246-Y282 HydrophobicContact CG1-CE2 3.95Å; V246-H285 HydrophobicContact CG2-CB 3.71Å; V246-N286 HydrophobicContact CG1-CB 3.88Å; V246-N286 WeakPolarHBondContact CG1-OD1 3.28Å; V246-L290 HydrophobicContact CB-CD2 3.91Å; V246-L290 HydrophobicContact CG1-CD2 4.01Å; V246-L290 HydrophobicContact CG2-CB 4.11Å; V246-L290 HydrophobicContact CG2-CD2 3.76Å
247	D	94.1	Very high	93.5	Very high	59 Å²	59	33.2 Å²	33.2	32%	0.316	16%	0.155	S	C	.	.	H	α-helix	trans	-65.7	-37.8	176.6	-60.3	-44.2	0	0	0	111.9	Q243 Y245 K250 L251	Q243-D247 PolarHBondContact NE2-OD1 3.27Å; Q243-D247 PolarHBondContact NE2-OD2 3.04Å; Q243-D247 PolarHBondContact O-N 2.95Å; Y245-D247 VanDerWaalsContact C-N 3.27Å; Y245-D247 PolarHBondContact O-N 3.15Å; D247-K250 WeakPolarHBondContact O-CB 3.5Å; D247-K250 PolarHBondContact O-N 3.23Å; D247-L251 WeakPolarHBondContact O-CB 3.37Å; D247-L251 PolarHBondContact O-N 3.12Å
248	K	91.6	Very high	93.6	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.065	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-38.9	170.3	-59.2	-34.1	-168.3	-164.9	0	113	R244 Y245 V246 K250 L251 L252 E355 E357	R244-K248 WeakPolarHBondContact O-CG 3.28Å; R244-K248 PolarHBondContact O-N 3.41Å; Y245-K248 PolarHBondContact O-N 2.91Å; V246-K248 PolarHBondContact O-N 3.32Å; K248-K250 VanDerWaalsContact C-N 3.31Å; K248-K250 PolarHBondContact O-N 2.68Å; K248-L251 WeakPolarHBondContact O-CB 3.12Å; K248-L251 PolarHBondContact O-N 3.36Å; K248-L252 PolarHBondContact O-N 2.9Å; K248-L252 VanDerWaalsContact O-N 3.14Å; K248-E355 PolarHBondContact NZ-O 2.94Å; K248-E357 WeakPolarHBondContact CE-OE2 3.1Å; K248-E357 IonicContact NZ-OE1 3.59Å; K248-E357 PolarHBondContact NZ-OE1 3.45Å; K248-E357 IonicContact NZ-OE2 3.59Å; K248-E357 PolarHBondContact NZ-OE2 3.18Å
249	L	95.6	Very high	93.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-36.5	175.5	-81	179.3	0	0	0	111.8	Y245 V246 G253 V278 L281 Y282 H285 P368	Y245-L249 HydrophobicContact CD1-CD1 3.94Å; Y245-L249 HydrophobicContact CD1-CG 4.43Å; Y245-L249 HydrophobicContact CE1-CD1 3.26Å; Y245-L249 HydrophobicContact CE1-CG 3.88Å; Y245-L249 HydrophobicContact CE2-CD1 4.3Å; Y245-L249 HydrophobicContact CE2-CD2 4.35Å; Y245-L249 HydrophobicContact CE2-CG 3.99Å; Y245-L249 VanDerWaalsContact CZ-CD1 3.47Å; Y245-L249 PolarHBondContact O-N 3.4Å; V246-L249 PolarHBondContact O-N 2.92Å; L249-G253 WeakPolarHBondContact O-CA 3.48Å; L249-G253 PolarHBondContact O-N 2.9Å; L249-V278 HydrophobicContact CD2-CG1 3.92Å; L249-L281 HydrophobicContact CD1-CB 4.16Å; L249-L281 HydrophobicContact CD2-CB 3.9Å; L249-Y282 HydrophobicContact CB-CD2 3.9Å; L249-Y282 HydrophobicContact CB-CG 4.34Å; L249-H285 HydrophobicContact CD1-CB 3.88Å; L249-P368 HydrophobicContact CD2-CG 4.27Å
250	K	95.6	Very high	93.5	Very high	83 Å²	83	35.6 Å²	35.6	36%	0.361	17%	0.165	S	C	.	.	H	α-helix	trans	-64.1	-49.4	172.5	-172.3	-177.3	176	-167.5	0	111.5	V246 D247 K248 L252 D254 T255 Y282	V246-K250 WeakPolarHBondContact O-CB 3.29Å; V246-K250 PolarHBondContact O-N 3.17Å; D247-K250 WeakPolarHBondContact O-CB 3.5Å; D247-K250 PolarHBondContact O-N 3.23Å; K248-K250 VanDerWaalsContact C-N 3.31Å; K248-K250 PolarHBondContact O-N 2.68Å; K250-L252 VanDerWaalsContact C-N 3.27Å; K250-L252 PolarHBondContact O-N 3.29Å; K250-D254 HydrophobicContact CG-CB 4.42Å; K250-D254 WeakPolarHBondContact O-CA 3.46Å; K250-D254 WeakPolarHBondContact O-CB 3.42Å; K250-D254 PolarHBondContact O-N 2.86Å; K250-T255 PolarHBondContact O-N 2.9Å; K250-Y282 HydrophobicContact CB-CD2 4.01Å; K250-Y282 HydrophobicContact CB-CE1 4.48Å; K250-Y282 HydrophobicContact CB-CE2 3.5Å; K250-Y282 VanDerWaalsContact CB-CE2 3.5Å; K250-Y282 HydrophobicContact CG-CE1 4.33Å; K250-Y282 HydrophobicContact CG-CE2 4.02Å
251	L	94.6	Very high	93.6	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.166	C	C	.	.	I	π-helix	trans	-52.1	-44.5	178	176	67	0	0	0	112.1	D247 K248 T255 F256 I350 E355 L361	D247-L251 WeakPolarHBondContact O-CB 3.37Å; D247-L251 PolarHBondContact O-N 3.12Å; K248-L251 WeakPolarHBondContact O-CB 3.12Å; K248-L251 PolarHBondContact O-N 3.36Å; L251-T255 WeakPolarHBondContact O-CB 3.38Å; L251-F256 VanDerWaalsContact O-CB 3.26Å; L251-F256 WeakPolarHBondContact O-CB 3.46Å; L251-F256 PolarHBondContact O-N 3.31Å; L251-I350 HydrophobicContact CD1-CG2 3.67Å; L251-E355 HydrophobicContact CD1-CB 4.35Å; L251-L361 HydrophobicContact CD2-CD1 4.12Å; L251-L361 HydrophobicContact CG-CD1 4.16Å
252	L	94.5	Very high	93.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	20%	0.2	C	C	.	.	I	π-helix	trans	-84	-50.9	-179.8	-66.1	174.6	0	0	0	113.5	K248 K250 F256 R257 V278 L361 H364 L365	K248-L252 PolarHBondContact O-N 2.9Å; K248-L252 VanDerWaalsContact O-N 3.14Å; K250-L252 VanDerWaalsContact C-N 3.27Å; K250-L252 PolarHBondContact O-N 3.29Å; L252-F256 HydrophobicContact CD2-CD1 4.35Å; L252-R257 PolarHBondContact O-N 2.82Å; L252-V278 HydrophobicContact CB-CG1 3.83Å; L252-L361 HydrophobicContact CD2-CD1 3.93Å; L252-L361 HydrophobicContact CD2-CG 4.44Å; L252-H364 HydrophobicContact CD1-CB 4.14Å; L252-H364 WeakPolarHBondContact CD1-O 3.43Å; L252-H364 HydrophobicContact CD2-CB 4.3Å; L252-H364 HydrophobicContact CG-CB 4.35Å; L252-L365 HydrophobicContact CD1-CD2 4.24Å; L252-L365 HydrophobicContact CD2-CD2 3.91Å
253	G	91.1	Very high	93.6	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	22%	0.217	C	C	.	.	I	π-helix	trans	-82.3	-16.9	-168.7	0	0	0	0	0	115.4	L249 R257 S279	L249-G253 WeakPolarHBondContact O-CA 3.48Å; L249-G253 PolarHBondContact O-N 2.9Å; G253-R257 WeakPolarHBondContact O-CD 3.48Å; G253-S279 PolarHBondContact O-OG 2.92Å
254	D	92.5	Very high	93.3	Very high	59 Å²	59	52.6 Å²	52.6	32%	0.316	24%	0.241	S	C	.	.	I	π-helix	trans	-123.4	-67.6	177.6	-170.7	51	0	0	0	110.5	K250 F256 R257 N258 Y282	K250-D254 HydrophobicContact CG-CB 4.42Å; K250-D254 WeakPolarHBondContact O-CA 3.46Å; K250-D254 WeakPolarHBondContact O-CB 3.42Å; K250-D254 PolarHBondContact O-N 2.86Å; D254-F256 PolarHBondContact O-N 2.93Å; D254-R257 PolarHBondContact O-N 3.13Å; D254-N258 WeakPolarHBondContact O-CB 3.4Å; D254-N258 PolarHBondContact O-N 2.76Å; D254-N258 PolarHBondContact O-ND2 2.87Å; D254-N258 VanDerWaalsContact O-ND2 3.16Å; D254-N258 PolarHBondContact OD1-ND2 3.32Å; D254-Y282 HydrophobicContact CB-CD1 4.45Å; D254-Y282 HydrophobicContact CB-CE1 4.29Å
255	T	93.6	Very high	93.2	Very high	36 Å²	36	48.7 Å²	48.7	22%	0.221	23%	0.228	C	C	.	.	I	π-helix	trans	-57.9	-57.6	-173.2	-52.7	0	0	0	0	113	K250 L251 R259	K250-T255 PolarHBondContact O-N 2.9Å; L251-T255 WeakPolarHBondContact O-CB 3.38Å; T255-R259 WeakPolarHBondContact O-CG 3.41Å; T255-R259 PolarHBondContact O-N 2.87Å; T255-R259 VanDerWaalsContact O-N 3.17Å
256	F	94.9	Very high	93.1	Very high	1 Å²	1	49 Å²	49	0%	0.004	23%	0.23	C	C	.	.	I	π-helix	trans	-66.4	-46.1	179.8	178.6	-142.8	0	0	0	111.7	L251 L252 D254 N258 R259 L260 L274 L275 F334 F343 V347 I350 L361	L251-F256 VanDerWaalsContact O-CB 3.26Å; L251-F256 WeakPolarHBondContact O-CB 3.46Å; L251-F256 PolarHBondContact O-N 3.31Å; L252-F256 HydrophobicContact CD2-CD1 4.35Å; D254-F256 PolarHBondContact O-N 2.93Å; F256-N258 VanDerWaalsContact C-N 3.31Å; F256-N258 PolarHBondContact O-N 3.23Å; F256-R259 PolarHBondContact O-N 2.85Å; F256-L260 HydrophobicContact CD1-CD1 4.25Å; F256-L260 HydrophobicContact CD2-CD1 4.12Å; F256-L260 HydrophobicContact CD2-CD2 4.29Å; F256-L260 HydrophobicContact CD2-CG 3.92Å; F256-L260 HydrophobicContact CE1-CD1 4Å; F256-L260 HydrophobicContact CE2-CD1 3.88Å; F256-L260 HydrophobicContact CE2-CD2 3.63Å; F256-L260 HydrophobicContact CE2-CG 3.72Å; F256-L260 HydrophobicContact CG-CD1 4.32Å; F256-L260 HydrophobicContact CZ-CD1 3.82Å; F256-L260 HydrophobicContact CZ-CD2 4.03Å; F256-L260 HydrophobicContact CZ-CG 4.16Å; F256-L260 WeakPolarHBondContact O-CG 3.38Å; F256-L260 PolarHBondContact O-N 3.23Å; F256-L274 HydrophobicContact CE1-CD2 4.07Å; F256-L274 HydrophobicContact CZ-CD2 4.13Å; F256-L275 HydrophobicContact CD1-CD2 4.11Å; F256-L275 HydrophobicContact CE1-CD2 4.31Å; F256-F334 HydrophobicContact CE1-CD2 4.48Å; F256-F334 HydrophobicContact CE1-CE2 4.2Å; F256-F334 HydrophobicContact CZ-CD2 4.37Å; F256-F334 AromaticContact CZ-CE2 3.94Å; F256-F334 HydrophobicContact CZ-CE2 3.94Å; F256-F343 HydrophobicContact CZ-CE2 4.23Å; F256-F343 AromaticContact CZ-CZ 3.9Å; F256-F343 HydrophobicContact CZ-CZ 3.9Å; F256-V347 HydrophobicContact CE2-CG2 4.18Å; F256-V347 HydrophobicContact CZ-CG2 4.4Å; F256-I350 HydrophobicContact CB-CD1 4.13Å; F256-I350 HydrophobicContact CD2-CD1 3.49Å; F256-I350 VanDerWaalsContact CD2-CD1 3.49Å; F256-I350 HydrophobicContact CE2-CD1 4.31Å; F256-I350 HydrophobicContact CG-CD1 4.2Å; F256-L361 HydrophobicContact CB-CD2 4.5Å; F256-L361 HydrophobicContact CD1-CD2 3.99Å; F256-L361 HydrophobicContact CD2-CD2 3.85Å; F256-L361 HydrophobicContact CE1-CD2 4.06Å; F256-L361 HydrophobicContact CE2-CD2 3.91Å; F256-L361 HydrophobicContact CG-CD2 3.87Å; F256-L361 HydrophobicContact CZ-CD2 4.02Å
257	R	93.9	Very high	92.8	Very high	93 Å²	93	53 Å²	53	35%	0.351	26%	0.255	S	S	.	.	H	α-helix	trans	-54.1	-45.3	176.8	-174.1	171.8	173.7	-96.2	2.5	112.5	L252 G253 D254 L260 I261 I271 L275 S279	L252-R257 PolarHBondContact O-N 2.82Å; G253-R257 WeakPolarHBondContact O-CD 3.48Å; D254-R257 PolarHBondContact O-N 3.13Å; R257-L260 PolarHBondContact O-N 3.11Å; R257-I261 HydrophobicContact CG-CD1 4.06Å; R257-I261 WeakPolarHBondContact O-CG1 3.42Å; R257-I261 PolarHBondContact O-N 3.35Å; R257-I261 VanDerWaalsContact O-N 3.09Å; R257-I271 HydrophobicContact CG-CG2 4.17Å; R257-L275 HydrophobicContact CB-CD1 3.7Å; R257-L275 HydrophobicContact CG-CD1 3.99Å; R257-S279 WeakPolarHBondContact CD-OG 3.4Å
258	N	93.3	Very high	92.5	Very high	68 Å²	68	55.7 Å²	55.7	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-34.2	-178.6	-64.8	-18.5	0	0	0	112	D254 F256 K262	D254-N258 WeakPolarHBondContact O-CB 3.4Å; D254-N258 PolarHBondContact O-N 2.76Å; D254-N258 PolarHBondContact O-ND2 2.87Å; D254-N258 VanDerWaalsContact O-ND2 3.16Å; D254-N258 PolarHBondContact OD1-ND2 3.32Å; F256-N258 VanDerWaalsContact C-N 3.31Å; F256-N258 PolarHBondContact O-N 3.23Å; N258-K262 WeakPolarHBondContact O-CB 3.41Å; N258-K262 PolarHBondContact O-N 2.86Å
259	R	93.7	Very high	92.3	Very high	59 Å²	59	58.6 Å²	58.6	22%	0.223	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-47	169.5	-68.2	-68.6	-56	-100.9	7.5	111.4	T255 F256 I261 K262 E263 V346 E349 I350	T255-R259 WeakPolarHBondContact O-CG 3.41Å; T255-R259 PolarHBondContact O-N 2.87Å; T255-R259 VanDerWaalsContact O-N 3.17Å; F256-R259 PolarHBondContact O-N 2.85Å; R259-I261 VanDerWaalsContact C-N 3.32Å; R259-I261 PolarHBondContact O-N 2.93Å; R259-K262 PolarHBondContact O-N 3Å; R259-E263 IonicContact CZ-OE1 3.22Å; R259-E263 IonicContact NE-OE1 2.78Å; R259-E263 PolarHBondContact NE-OE1 2.94Å; R259-E263 IonicContact NH2-OE1 2.72Å; R259-E263 PolarHBondContact NH2-OE1 2.92Å; R259-E263 IonicContact NH2-OE2 2.7Å; R259-E263 PolarHBondContact O-N 3.4Å; R259-E263 VanDerWaalsContact O-N 3.12Å; R259-V346 HydrophobicContact CB-CG1 4.02Å; R259-E349 IonicContact CZ-OE2 3.3Å; R259-E349 IonicContact NH1-OE2 2.68Å; R259-E349 PolarHBondContact NH1-OE2 3.34Å; R259-E349 IonicContact NH2-OE2 3.12Å; R259-E349 PolarHBondContact NH2-OE2 2.94Å; R259-I350 HydrophobicContact CB-CD1 4.33Å; R259-I350 HydrophobicContact CG-CD1 4.14Å
260	L	92.8	Very high	92.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-40.9	178.6	-67.9	173	0	0	0	112.9	F256 R257 E264 L265 I266 I271 L274 L275 F343	F256-L260 HydrophobicContact CD1-CD1 4.25Å; F256-L260 HydrophobicContact CD2-CD1 4.12Å; F256-L260 HydrophobicContact CD2-CD2 4.29Å; F256-L260 HydrophobicContact CD2-CG 3.92Å; F256-L260 HydrophobicContact CE1-CD1 4Å; F256-L260 HydrophobicContact CE2-CD1 3.88Å; F256-L260 HydrophobicContact CE2-CD2 3.63Å; F256-L260 HydrophobicContact CE2-CG 3.72Å; F256-L260 HydrophobicContact CG-CD1 4.32Å; F256-L260 HydrophobicContact CZ-CD1 3.82Å; F256-L260 HydrophobicContact CZ-CD2 4.03Å; F256-L260 HydrophobicContact CZ-CG 4.16Å; F256-L260 WeakPolarHBondContact O-CG 3.38Å; F256-L260 PolarHBondContact O-N 3.23Å; R257-L260 PolarHBondContact O-N 3.11Å; L260-E264 PolarHBondContact O-N 2.73Å; L260-L265 HydrophobicContact CD2-CB 4.41Å; L260-L265 HydrophobicContact CD2-CD1 4.17Å; L260-L265 PolarHBondContact O-N 2.99Å; L260-I266 HydrophobicContact CD1-CD1 4.3Å; L260-I266 HydrophobicContact CD2-CD1 4.32Å; L260-I266 HydrophobicContact CD2-CG1 4.34Å; L260-I271 HydrophobicContact CB-CD1 4.11Å; L260-I271 HydrophobicContact CB-CG1 4.41Å; L260-L274 HydrophobicContact CD1-CD2 3.96Å; L260-L275 HydrophobicContact CD1-CD1 4.36Å; L260-F343 HydrophobicContact CD2-CD2 3.86Å; L260-F343 HydrophobicContact CD2-CE2 3.52Å
261	I	91.8	Very high	92	Very high	70 Å²	70	58.8 Å²	58.8	36%	0.359	29%	0.286	S	S	.	.	H	α-helix	trans	-71.6	-51.8	177.4	-64.7	168.4	0	0	0	110.6	R257 R259 E263 E264 I271	R257-I261 HydrophobicContact CG-CD1 4.06Å; R257-I261 WeakPolarHBondContact O-CG1 3.42Å; R257-I261 PolarHBondContact O-N 3.35Å; R257-I261 VanDerWaalsContact O-N 3.09Å; R259-I261 VanDerWaalsContact C-N 3.32Å; R259-I261 PolarHBondContact O-N 2.93Å; I261-E263 VanDerWaalsContact C-N 3.25Å; I261-E263 PolarHBondContact O-N 3.47Å; I261-E264 PolarHBondContact O-N 3.2Å; I261-I271 HydrophobicContact CG1-CD1 3.59Å
262	K	92.3	Very high	91.7	Very high	178 Å²	178	63 Å²	63	77%	0.774	31%	0.313	S	S	*	.	H	α-helix	trans	-62.2	-29.4	-173.7	-177.2	179.9	176.6	-174.5	0	113.7	N258 R259	N258-K262 WeakPolarHBondContact O-CB 3.41Å; N258-K262 PolarHBondContact O-N 2.86Å; R259-K262 PolarHBondContact O-N 3Å
263	E	92.1	Very high	91.5	Very high	76 Å²	76	69.7 Å²	69.7	36%	0.355	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	9.1	-179.1	-68.3	174.1	-116.6	0	0	113.5	R259 I261 L265 V346	R259-E263 IonicContact CZ-OE1 3.22Å; R259-E263 IonicContact NE-OE1 2.78Å; R259-E263 PolarHBondContact NE-OE1 2.94Å; R259-E263 IonicContact NH2-OE1 2.72Å; R259-E263 PolarHBondContact NH2-OE1 2.92Å; R259-E263 IonicContact NH2-OE2 2.7Å; R259-E263 PolarHBondContact O-N 3.4Å; R259-E263 VanDerWaalsContact O-N 3.12Å; I261-E263 VanDerWaalsContact C-N 3.25Å; I261-E263 PolarHBondContact O-N 3.47Å; E263-L265 HydrophobicContact CB-CD1 4.2Å; E263-L265 HydrophobicContact CB-CD2 3.97Å; E263-L265 HydrophobicContact CB-CG 3.77Å; E263-L265 PolarHBondContact O-N 3.39Å; E263-V346 VanDerWaalsContact OE2-CG2 3.25Å; E263-V346 WeakPolarHBondContact OE2-CG2 3.36Å
264	E	90.5	Very high	91.6	Very high	175 Å²	175	69.6 Å²	69.6	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	30.2	175.6	-56.2	-170.5	152.9	0	0	114.3	L260 I261 I266	L260-E264 PolarHBondContact O-N 2.73Å; I261-E264 PolarHBondContact O-N 3.2Å; E264-I266 PolarHBondContact O-N 3.38Å
265	L	87.5	Confident	91.6	Very high	30 Å²	30	67 Å²	67	16%	0.157	32%	0.323	C	S	.	.			trans	-66	-28.4	-168.5	-60.9	175.1	0	0	0	113	L260 E263 K342 V346	L260-L265 HydrophobicContact CD2-CB 4.41Å; L260-L265 HydrophobicContact CD2-CD1 4.17Å; L260-L265 PolarHBondContact O-N 2.99Å; E263-L265 HydrophobicContact CB-CD1 4.2Å; E263-L265 HydrophobicContact CB-CD2 3.97Å; E263-L265 HydrophobicContact CB-CG 3.77Å; E263-L265 PolarHBondContact O-N 3.39Å; L265-K342 HydrophobicContact CD2-CB 3.99Å; L265-V346 HydrophobicContact CD1-CB 4.01Å; L265-V346 HydrophobicContact CD1-CG1 4.07Å; L265-V346 HydrophobicContact CD1-CG2 3.93Å
266	I	91.7	Very high	91.5	Very high	18 Å²	18	66.5 Å²	66.5	9%	0.092	32%	0.322	C	S	.	.	S	Bend	trans	-148.9	155.3	177.1	52.8	171.5	0	0	0	110.8	L260 E264 K270 I271 L274 L337 F343	L260-I266 HydrophobicContact CD1-CD1 4.3Å; L260-I266 HydrophobicContact CD2-CD1 4.32Å; L260-I266 HydrophobicContact CD2-CG1 4.34Å; E264-I266 PolarHBondContact O-N 3.38Å; I266-K270 HydrophobicContact CB-CB 4.11Å; I266-K270 HydrophobicContact CD1-CB 4.09Å; I266-I271 HydrophobicContact CD1-CG1 3.73Å; I266-I271 HydrophobicContact CG1-CD1 4.39Å; I266-I271 HydrophobicContact CG1-CG1 3.65Å; I266-L274 HydrophobicContact CD1-CD2 4.03Å; I266-L337 HydrophobicContact CD1-CD1 3.97Å; I266-L337 HydrophobicContact CG2-CD1 3.84Å; I266-L337 HydrophobicContact CG2-CD2 3.5Å; I266-L337 HydrophobicContact CG2-CG 4.31Å; I266-F343 HydrophobicContact CD1-CE2 4.49Å
267	T	91.1	Very high	91.5	Very high	87 Å²	87	66.8 Å²	66.8	53%	0.534	32%	0.324	S	S	.	.			trans	-64.3	150.4	175.4	50.9	0	0	0	0	112.2	D269 K270 I271	T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.09Å; T267-K270 WeakPolarHBondContact O-CA 3.47Å; T267-K270 WeakPolarHBondContact O-CB 3.38Å; T267-K270 PolarHBondContact O-N 2.76Å; T267-I271 PolarHBondContact O-N 2.58Å
268	N	87.5	Confident	91.5	Very high	114 Å²	114	62.4 Å²	62.4	61%	0.61	31%	0.307	S	S	*	.	H	α-helix	trans	-52.7	-40.2	179.1	-82.1	-50.2	0	0	0	113.6	K270 I271 T272	N268-K270 VanDerWaalsContact C-N 3.26Å; N268-K270 PolarHBondContact O-N 3.29Å; N268-I271 WeakPolarHBondContact O-CB 3.47Å; N268-I271 PolarHBondContact O-N 2.81Å; N268-T272 PolarHBondContact O-N 2.91Å; N268-T272 PolarHBondContact O-OG1 3.09Å
269	D	88.6	Confident	91.5	Very high	76 Å²	76	60.7 Å²	60.7	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-52.7	-41.5	171.4	163.1	79.8	0	0	0	112.7	T267 T272 R273	T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.09Å; D269-T272 PolarHBondContact O-N 3.18Å; D269-R273 VanDerWaalsContact O-CG 3.28Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 2.71Å; D269-R273 IonicContact OD1-CZ 3.29Å; D269-R273 IonicContact OD1-NE 2.79Å; D269-R273 PolarHBondContact OD1-NE 3.34Å; D269-R273 IonicContact OD1-NH2 2.76Å; D269-R273 PolarHBondContact OD1-NH2 2.84Å; D269-R273 IonicContact OD2-CZ 3.24Å; D269-R273 IonicContact OD2-NE 2.71Å; D269-R273 PolarHBondContact OD2-NE 2.8Å; D269-R273 IonicContact OD2-NH2 2.81Å; D269-R273 PolarHBondContact OD2-NH2 2.87Å
270	K	90.9	Very high	91.6	Very high	83 Å²	83	60.6 Å²	60.6	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-76.2	-29.4	177.3	-68.5	-173.8	179.8	-168.5	0	112.6	I266 T267 N268 R273 L274	I266-K270 HydrophobicContact CB-CB 4.11Å; I266-K270 HydrophobicContact CD1-CB 4.09Å; T267-K270 WeakPolarHBondContact O-CA 3.47Å; T267-K270 WeakPolarHBondContact O-CB 3.38Å; T267-K270 PolarHBondContact O-N 2.76Å; N268-K270 VanDerWaalsContact C-N 3.26Å; N268-K270 PolarHBondContact O-N 3.29Å; K270-R273 PolarHBondContact O-N 2.72Å; K270-L274 WeakPolarHBondContact O-CB 3.28Å; K270-L274 PolarHBondContact O-N 2.85Å
271	I	92.5	Very high	91.7	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-46.4	170.2	-56.7	179.3	0	0	0	109.6	R257 L260 I261 I266 T267 N268 R273 L274 L275	R257-I271 HydrophobicContact CG-CG2 4.17Å; L260-I271 HydrophobicContact CB-CD1 4.11Å; L260-I271 HydrophobicContact CB-CG1 4.41Å; I261-I271 HydrophobicContact CG1-CD1 3.59Å; I266-I271 HydrophobicContact CD1-CG1 3.73Å; I266-I271 HydrophobicContact CG1-CD1 4.39Å; I266-I271 HydrophobicContact CG1-CG1 3.65Å; T267-I271 PolarHBondContact O-N 2.58Å; N268-I271 WeakPolarHBondContact O-CB 3.47Å; N268-I271 PolarHBondContact O-N 2.81Å; I271-R273 PolarHBondContact O-N 3.24Å; I271-L274 PolarHBondContact O-N 3.24Å; I271-L274 VanDerWaalsContact O-N 3.15Å; I271-L275 HydrophobicContact CG2-CD1 4.17Å; I271-L275 PolarHBondContact O-N 2.9Å
272	T	89.4	Confident	92	Very high	92 Å²	92	59.2 Å²	59.2	56%	0.564	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-42.1	175.1	-55.8	0	0	0	0	111.9	N268 D269 L274 A276	N268-T272 PolarHBondContact O-N 2.91Å; N268-T272 PolarHBondContact O-OG1 3.09Å; D269-T272 PolarHBondContact O-N 3.18Å; T272-L274 VanDerWaalsContact C-N 3.29Å; T272-L274 PolarHBondContact O-N 2.91Å; T272-A276 WeakPolarHBondContact O-CA 3.46Å; T272-A276 PolarHBondContact O-N 2.73Å
273	R	89	Confident	92.1	Very high	140 Å²	140	56.6 Å²	56.6	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-24	174.4	-68.7	172.9	-159.8	-141.6	6.9	113.9	D269 K270 I271 N326 L333	D269-R273 VanDerWaalsContact O-CG 3.28Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 2.71Å; D269-R273 IonicContact OD1-CZ 3.29Å; D269-R273 IonicContact OD1-NE 2.79Å; D269-R273 PolarHBondContact OD1-NE 3.34Å; D269-R273 IonicContact OD1-NH2 2.76Å; D269-R273 PolarHBondContact OD1-NH2 2.84Å; D269-R273 IonicContact OD2-CZ 3.24Å; D269-R273 IonicContact OD2-NE 2.71Å; D269-R273 PolarHBondContact OD2-NE 2.8Å; D269-R273 IonicContact OD2-NH2 2.81Å; D269-R273 PolarHBondContact OD2-NH2 2.87Å; K270-R273 PolarHBondContact O-N 2.72Å; I271-R273 PolarHBondContact O-N 3.24Å; R273-N326 PolarHBondContact O-ND2 3.31Å; R273-L333 HydrophobicContact CB-CD2 3.77Å
274	L	93	Very high	92.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-86.6	-35.2	-179.8	-176.2	62.5	0	0	0	112.8	F256 L260 I266 K270 I271 T272 A330 L333 F334 L337 F343	F256-L274 HydrophobicContact CE1-CD2 4.07Å; F256-L274 HydrophobicContact CZ-CD2 4.13Å; L260-L274 HydrophobicContact CD1-CD2 3.96Å; I266-L274 HydrophobicContact CD1-CD2 4.03Å; K270-L274 WeakPolarHBondContact O-CB 3.28Å; K270-L274 PolarHBondContact O-N 2.85Å; I271-L274 PolarHBondContact O-N 3.24Å; I271-L274 VanDerWaalsContact O-N 3.15Å; T272-L274 VanDerWaalsContact C-N 3.29Å; T272-L274 PolarHBondContact O-N 2.91Å; L274-A330 WeakPolarHBondContact CD1-O 3.19Å; L274-A330 VanDerWaalsContact O-CB 3.27Å; L274-A330 WeakPolarHBondContact O-CB 3.44Å; L274-L333 HydrophobicContact CB-CD2 4.15Å; L274-L333 HydrophobicContact CD1-CG 4.47Å; L274-F334 HydrophobicContact CD1-CB 3.78Å; L274-F334 HydrophobicContact CD1-CD2 4.17Å; L274-F334 HydrophobicContact CD1-CG 4.49Å; L274-L337 HydrophobicContact CD2-CD1 4.29Å; L274-F343 HydrophobicContact CD2-CE2 4.22Å; L274-F343 HydrophobicContact CD2-CZ 4.1Å
275	L	93.5	Very high	92.7	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-117.9	-8.1	-172.7	-60.4	177.9	0	0	0	114.3	F256 R257 L260 I271 N277 V278	F256-L275 HydrophobicContact CD1-CD2 4.11Å; F256-L275 HydrophobicContact CE1-CD2 4.31Å; R257-L275 HydrophobicContact CB-CD1 3.7Å; R257-L275 HydrophobicContact CG-CD1 3.99Å; L260-L275 HydrophobicContact CD1-CD1 4.36Å; I271-L275 HydrophobicContact CG2-CD1 4.17Å; I271-L275 PolarHBondContact O-N 2.9Å; L275-N277 PolarHBondContact O-N 2.86Å; L275-N277 VanDerWaalsContact O-N 3.16Å; L275-V278 WeakPolarHBondContact O-CB 3.48Å; L275-V278 WeakPolarHBondContact O-CG2 3.42Å; L275-V278 PolarHBondContact O-N 3.31Å
276	A	91.9	Very high	93.1	Very high	26 Å²	26	46.7 Å²	46.7	22%	0.215	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.8	-118.7	-174.9	0	0	0	0	0	111.9	T272 Y323 N326	T272-A276 WeakPolarHBondContact O-CA 3.46Å; T272-A276 PolarHBondContact O-N 2.73Å; A276-Y323 HydrophobicContact CB-CD2 4.08Å; A276-N326 HydrophobicContact CB-CB 4Å
277	N	93.4	Very high	93.3	Very high	8 Å²	8	49 Å²	49	4%	0.043	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	24.2	-179.8	71.7	-7.4	0	0	0	114.4	L275 S279 S280 L281 M319 E322	L275-N277 PolarHBondContact O-N 2.86Å; L275-N277 VanDerWaalsContact O-N 3.16Å; N277-S279 PolarHBondContact O-N 2.64Å; N277-S280 WeakPolarHBondContact O-CA 3.22Å; N277-S280 VanDerWaalsContact O-CB 3.3Å; N277-S280 WeakPolarHBondContact O-CB 3.39Å; N277-S280 PolarHBondContact O-N 2.81Å; N277-L281 PolarHBondContact O-N 3.35Å; N277-M319 PolarHBondContact ND2-O 2.9Å; N277-E322 HydrophobicContact CB-CG 4.41Å; N277-E322 WeakPolarHBondContact CB-OE2 3.41Å; N277-E322 WeakPolarHBondContact ND2-CB 3.09Å; N277-E322 PolarHBondContact ND2-OE2 2.82Å
278	V	95.2	Very high	93.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.1	-34	-179.7	171.5	0	0	0	0	113	L249 L252 L275 S280 L281 Y282 Y323	L249-V278 HydrophobicContact CD2-CG1 3.92Å; L252-V278 HydrophobicContact CB-CG1 3.83Å; L275-V278 WeakPolarHBondContact O-CB 3.48Å; L275-V278 WeakPolarHBondContact O-CG2 3.42Å; L275-V278 PolarHBondContact O-N 3.31Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-S280 PolarHBondContact O-N 3.02Å; V278-L281 PolarHBondContact O-N 3.29Å; V278-Y282 WeakPolarHBondContact O-CB 3.45Å; V278-Y282 PolarHBondContact O-N 2.85Å; V278-Y323 HydrophobicContact CG2-CD2 3.5Å; V278-Y323 HydrophobicContact CG2-CE2 3.18Å
279	S	93.4	Very high	93.9	Very high	33 Å²	33	44 Å²	44	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-35.2	173.6	-53	0	0	0	0	112.5	G253 R257 N277 Y282 Q283	G253-S279 PolarHBondContact O-OG 2.92Å; R257-S279 WeakPolarHBondContact CD-OG 3.4Å; N277-S279 PolarHBondContact O-N 2.64Å; S279-Y282 PolarHBondContact O-N 3.07Å; S279-Q283 WeakPolarHBondContact O-CB 3.42Å; S279-Q283 PolarHBondContact O-N 2.91Å
280	S	94.8	Very high	94.4	Very high	57 Å²	57	40.7 Å²	40.7	40%	0.399	21%	0.209	S	C	.	.	H	α-helix	trans	-70.7	-40.3	175.2	-45.5	0	0	0	0	111.5	N277 V278 Q283 F284	N277-S280 WeakPolarHBondContact O-CA 3.22Å; N277-S280 VanDerWaalsContact O-CB 3.3Å; N277-S280 WeakPolarHBondContact O-CB 3.39Å; N277-S280 PolarHBondContact O-N 2.81Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-S280 PolarHBondContact O-N 3.02Å; S280-Q283 PolarHBondContact O-N 2.98Å; S280-F284 PolarHBondContact O-N 3.16Å
281	L	95.9	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-51.8	170.4	-72.4	169.4	0	0	0	110	L249 N277 V278 Q283 F284 H285 M319 Y320 Y323 P368	L249-L281 HydrophobicContact CD1-CB 4.16Å; L249-L281 HydrophobicContact CD2-CB 3.9Å; N277-L281 PolarHBondContact O-N 3.35Å; V278-L281 PolarHBondContact O-N 3.29Å; L281-Q283 VanDerWaalsContact C-N 3.32Å; L281-Q283 PolarHBondContact O-N 2.86Å; L281-F284 PolarHBondContact O-N 2.8Å; L281-H285 PolarHBondContact O-CD2 3.24Å; L281-H285 PolarHBondContact O-N 2.77Å; L281-M319 HydrophobicContact CD2-CE 4.09Å; L281-M319 HydrophobicContact CD2-CG 3.68Å; L281-M319 HydrophobicContact CD2-SD 3.97Å; L281-M319 HydrophobicContact CG-CE 4.31Å; L281-Y320 HydrophobicContact CD2-CD1 4.25Å; L281-Y320 HydrophobicContact CD2-CD2 3.65Å; L281-Y320 HydrophobicContact CD2-CE1 4.21Å; L281-Y320 HydrophobicContact CD2-CE2 3.61Å; L281-Y320 HydrophobicContact CD2-CG 4.03Å; L281-Y323 HydrophobicContact CD1-CG 4.4Å; L281-P368 HydrophobicContact CD1-CB 4.26Å
282	Y	97.1	Very high	95	Very high	41 Å²	41	41.3 Å²	41.3	16%	0.161	22%	0.218	C	C	.	.	H	α-helix	trans	-53.5	-49.1	177.6	176.4	-124.7	0	0	0	111.5	V246 L249 K250 D254 V278 S279 H285 N286	V246-Y282 HydrophobicContact CG1-CD2 4.39Å; V246-Y282 HydrophobicContact CG1-CE2 3.95Å; L249-Y282 HydrophobicContact CB-CD2 3.9Å; L249-Y282 HydrophobicContact CB-CG 4.34Å; K250-Y282 HydrophobicContact CB-CD2 4.01Å; K250-Y282 HydrophobicContact CB-CE1 4.48Å; K250-Y282 HydrophobicContact CB-CE2 3.5Å; K250-Y282 VanDerWaalsContact CB-CE2 3.5Å; K250-Y282 HydrophobicContact CG-CE1 4.33Å; K250-Y282 HydrophobicContact CG-CE2 4.02Å; D254-Y282 HydrophobicContact CB-CD1 4.45Å; D254-Y282 HydrophobicContact CB-CE1 4.29Å; V278-Y282 WeakPolarHBondContact O-CB 3.45Å; V278-Y282 PolarHBondContact O-N 2.85Å; S279-Y282 PolarHBondContact O-N 3.07Å; Y282-H285 PolarHBondContact O-N 2.95Å; Y282-N286 HydrophobicContact CD2-CB 3.98Å; Y282-N286 HydrophobicContact CE2-CB 3.61Å; Y282-N286 WeakPolarHBondContact O-CB 3.43Å; Y282-N286 PolarHBondContact O-N 3.17Å
283	Q	95.6	Very high	95.4	Very high	123 Å²	123	36.9 Å²	36.9	58%	0.575	19%	0.191	S	C	*	.	H	α-helix	trans	-57	-54	177.2	-173.4	175.7	1.5	0	0	111.7	S279 S280 L281 H285 N286 T287	S279-Q283 WeakPolarHBondContact O-CB 3.42Å; S279-Q283 PolarHBondContact O-N 2.91Å; S280-Q283 PolarHBondContact O-N 2.98Å; L281-Q283 VanDerWaalsContact C-N 3.32Å; L281-Q283 PolarHBondContact O-N 2.86Å; Q283-H285 PolarHBondContact O-N 2.79Å; Q283-N286 PolarHBondContact O-N 2.74Å; Q283-T287 HydrophobicContact CG-CG2 4.41Å; Q283-T287 WeakPolarHBondContact O-CB 3.38Å; Q283-T287 PolarHBondContact O-N 3.19Å; Q283-T287 PolarHBondContact O-OG1 2.97Å
284	F	96.5	Very high	95.8	Very high	15 Å²	15	34 Å²	34	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-48	-179.6	166	-107.4	0	0	0	113	S280 L281 H288 F289 Q313 F316 L317 M319	S280-F284 PolarHBondContact O-N 3.16Å; L281-F284 PolarHBondContact O-N 2.8Å; F284-H288 HydrophobicContact CD2-CB 4.4Å; F284-H288 WeakPolarHBondContact O-CB 3.07Å; F284-H288 PolarHBondContact O-N 2.76Å; F284-H288 VanDerWaalsContact O-N 3.12Å; F284-F289 HydrophobicContact CE1-CB 4.43Å; F284-F289 HydrophobicContact CZ-CB 4.32Å; F284-F289 PolarHBondContact O-N 2.73Å; F284-F289 VanDerWaalsContact O-N 3.1Å; F284-Q313 HydrophobicContact CE2-CB 4.47Å; F284-Q313 HydrophobicContact CZ-CB 4.05Å; F284-F316 HydrophobicContact CD2-CB 4.13Å; F284-F316 HydrophobicContact CD2-CG 4.41Å; F284-F316 HydrophobicContact CE1-CB 4.28Å; F284-F316 HydrophobicContact CE2-CB 3.51Å; F284-F316 AromaticContact CE2-CD2 3.89Å; F284-F316 HydrophobicContact CE2-CD2 3.89Å; F284-F316 AromaticContact CE2-CG 3.81Å; F284-F316 HydrophobicContact CE2-CG 3.81Å; F284-F316 HydrophobicContact CZ-CB 3.6Å; F284-F316 HydrophobicContact CZ-CD2 4.42Å; F284-F316 HydrophobicContact CZ-CG 4.32Å; F284-L317 HydrophobicContact CE1-CD2 4.1Å; F284-M319 HydrophobicContact CB-SD 4.17Å; F284-M319 HydrophobicContact CD1-SD 4.11Å; F284-M319 HydrophobicContact CG-SD 4.18Å
285	H	97.6	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-68.5	-43.4	-178.3	-73.8	-83	0	0	0	111.8	E242 Y245 V246 L249 L281 Y282 Q283 F289 L290 Y320 Y375	E242-H285 IonicContact OE1-CE1 3.69Å; E242-H285 IonicContact OE1-CG 2.64Å; E242-H285 IonicContact OE1-ND1 3.8Å; E242-H285 PolarHBondContact OE1-ND1 3.03Å; Y245-H285 AromaticContact CE1-CD2 3.99Å; Y245-H285 AromaticContact CE1-CE1 3.96Å; Y245-H285 AromaticContact CE1-CG 3.97Å; Y245-H285 AromaticContact CE1-ND1 3.92Å; V246-H285 HydrophobicContact CG2-CB 3.71Å; L249-H285 HydrophobicContact CD1-CB 3.88Å; L281-H285 PolarHBondContact O-CD2 3.24Å; L281-H285 PolarHBondContact O-N 2.77Å; Y282-H285 PolarHBondContact O-N 2.95Å; Q283-H285 PolarHBondContact O-N 2.79Å; H285-F289 AromaticContact CE1-CD1 3.98Å; H285-F289 AromaticContact ND1-CD1 3.69Å; H285-F289 PolarHBondContact O-N 3.02Å; H285-L290 VanDerWaalsContact O-CB 3.26Å; H285-L290 WeakPolarHBondContact O-CB 3.4Å; H285-L290 PolarHBondContact O-N 3.44Å; H285-Y320 PolarHBondContact CE1-OH 3.18Å; H285-Y320 VanDerWaalsContact CE1-OH 3.23Å; H285-Y320 AromaticContact NE2-CE2 3.39Å; H285-Y320 WeakPolarHBondContact NE2-CE2 3.49Å; H285-Y320 AromaticContact NE2-CZ 3.52Å; H285-Y320 PolarHBondContact NE2-OH 2.81Å; H285-Y375 PolarHBondContact CE1-OH 3.08Å; H285-Y375 PolarHBondContact ND1-OH 3.07Å
286	N	97.2	Very high	96.1	Very high	57 Å²	57	39.5 Å²	39.5	31%	0.305	21%	0.213	S	C	.	.	I	π-helix	trans	-74.1	-42.4	-177.9	-174	83.9	0	0	0	113.9	V246 Y282 Q283 P291	V246-N286 HydrophobicContact CG1-CB 3.88Å; V246-N286 WeakPolarHBondContact CG1-OD1 3.28Å; Y282-N286 HydrophobicContact CD2-CB 3.98Å; Y282-N286 HydrophobicContact CE2-CB 3.61Å; Y282-N286 WeakPolarHBondContact O-CB 3.43Å; Y282-N286 PolarHBondContact O-N 3.17Å; Q283-N286 PolarHBondContact O-N 2.74Å; N286-P291 VanDerWaalsContact O-CD 3.32Å; N286-P291 WeakPolarHBondContact O-CD 3.45Å; N286-P291 VanDerWaalsContact O-CG 3.26Å; N286-P291 WeakPolarHBondContact O-CG 3.35Å
287	T	95.4	Very high	96.3	Very high	67 Å²	67	39.4 Å²	39.4	41%	0.411	21%	0.209	S	C	.	.	I	π-helix	trans	-95.4	-15.1	-173.5	69.6	0	0	0	0	114.2	Q283	Q283-T287 HydrophobicContact CG-CG2 4.41Å; Q283-T287 WeakPolarHBondContact O-CB 3.38Å; Q283-T287 PolarHBondContact O-N 3.19Å; Q283-T287 PolarHBondContact O-OG1 2.97Å
288	H	94.3	Very high	96.4	Very high	95 Å²	95	46.5 Å²	46.5	44%	0.44	24%	0.235	S	C	.	.	I	π-helix	trans	-126	-59.2	-177.6	-57	-37.7	0	0	0	113	F284 Q292	F284-H288 HydrophobicContact CD2-CB 4.4Å; F284-H288 WeakPolarHBondContact O-CB 3.07Å; F284-H288 PolarHBondContact O-N 2.76Å; F284-H288 VanDerWaalsContact O-N 3.12Å; H288-Q292 PolarHBondContact O-NE2 3.28Å
289	F	97.4	Very high	96.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.25	C	S	.	.	I	π-helix	trans	-73.6	-54.8	-167.8	-168.4	-157.8	0	0	0	113.3	E242 F284 H285 Q292 L293 V309 V310 Q313 Y375	E242-F289 VanDerWaalsContact OE1-CD1 3.26Å; E242-F289 WeakPolarHBondContact OE1-CD1 3.4Å; F284-F289 HydrophobicContact CE1-CB 4.43Å; F284-F289 HydrophobicContact CZ-CB 4.32Å; F284-F289 PolarHBondContact O-N 2.73Å; F284-F289 VanDerWaalsContact O-N 3.1Å; H285-F289 AromaticContact CE1-CD1 3.98Å; H285-F289 AromaticContact ND1-CD1 3.69Å; H285-F289 PolarHBondContact O-N 3.02Å; F289-Q292 PolarHBondContact O-N 3.18Å; F289-L293 HydrophobicContact CD1-CD1 4.33Å; F289-L293 HydrophobicContact CD2-CD1 3.75Å; F289-L293 HydrophobicContact CD2-CG 3.89Å; F289-L293 HydrophobicContact CE1-CD1 4.17Å; F289-L293 HydrophobicContact CE2-CD1 3.57Å; F289-L293 HydrophobicContact CE2-CD2 3.96Å; F289-L293 HydrophobicContact CE2-CG 3.77Å; F289-L293 HydrophobicContact CG-CD1 4.15Å; F289-L293 HydrophobicContact CZ-CD1 3.8Å; F289-L293 HydrophobicContact CZ-CG 4.45Å; F289-L293 WeakPolarHBondContact O-CG 3.34Å; F289-L293 PolarHBondContact O-N 2.95Å; F289-L293 VanDerWaalsContact O-N 3.08Å; F289-V309 HydrophobicContact CD2-CG1 4.1Å; F289-V309 HydrophobicContact CE2-CG1 4.12Å; F289-V310 HydrophobicContact CE2-CB 4.47Å; F289-V310 HydrophobicContact CE2-CG2 4.14Å; F289-V310 HydrophobicContact CZ-CB 4.45Å; F289-V310 HydrophobicContact CZ-CG1 4.17Å; F289-V310 HydrophobicContact CZ-CG2 4.11Å; F289-Q313 HydrophobicContact CD2-CB 3.76Å; F289-Q313 HydrophobicContact CD2-CG 3.76Å; F289-Q313 HydrophobicContact CE2-CB 4.04Å; F289-Q313 HydrophobicContact CE2-CG 4.34Å; F289-Q313 HydrophobicContact CG-CB 4.24Å; F289-Q313 HydrophobicContact CG-CG 4.41Å; F289-Y375 HydrophobicContact CE1-CD1 4.5Å; F289-Y375 AromaticContact CE1-CE1 3.7Å; F289-Y375 HydrophobicContact CE1-CE1 3.7Å; F289-Y375 AromaticContact CE1-CZ 3.8Å; F289-Y375 HydrophobicContact CZ-CE1 4.32Å
290	L	98.1	Very high	96.5	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-44.1	-179.3	173.7	65.8	0	0	0	113.3	V239 E242 Q243 V246 H285 Q292 L293 L294	V239-L290 HydrophobicContact CG1-CD1 4.23Å; E242-L290 HydrophobicContact CB-CD1 4.18Å; E242-L290 HydrophobicContact CG-CB 4.1Å; E242-L290 HydrophobicContact CG-CD1 4.01Å; Q243-L290 HydrophobicContact CB-CD1 4.26Å; V246-L290 HydrophobicContact CB-CD2 3.91Å; V246-L290 HydrophobicContact CG1-CD2 4.01Å; V246-L290 HydrophobicContact CG2-CB 4.11Å; V246-L290 HydrophobicContact CG2-CD2 3.76Å; H285-L290 VanDerWaalsContact O-CB 3.26Å; H285-L290 WeakPolarHBondContact O-CB 3.4Å; H285-L290 PolarHBondContact O-N 3.44Å; L290-Q292 PolarHBondContact O-N 3.02Å; L290-L293 PolarHBondContact O-N 2.97Å; L290-L293 VanDerWaalsContact O-N 3.17Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CD2 4.46Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CG-CD1 3.83Å; L290-L294 HydrophobicContact CG-CG 4.28Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.98Å
291	P	98.1	Very high	96.4	Very high	59 Å²	59	50.1 Å²	50.1	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-42.1	177.2	-27.4	36.3	0	0	0	114	N286 L293 L294 E295	N286-P291 VanDerWaalsContact O-CD 3.32Å; N286-P291 WeakPolarHBondContact O-CD 3.45Å; N286-P291 VanDerWaalsContact O-CG 3.26Å; N286-P291 WeakPolarHBondContact O-CG 3.35Å; P291-L293 VanDerWaalsContact C-N 3.34Å; P291-L294 PolarHBondContact O-N 2.89Å; P291-E295 PolarHBondContact O-N 3.39Å
292	Q	97.8	Very high	96.2	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-33.1	176.8	-75	166.4	95.4	0	0	111.9	H288 F289 L290 S296 V309	H288-Q292 PolarHBondContact O-NE2 3.28Å; F289-Q292 PolarHBondContact O-N 3.18Å; L290-Q292 PolarHBondContact O-N 3.02Å; Q292-S296 WeakPolarHBondContact O-CB 3.48Å; Q292-S296 PolarHBondContact O-N 3.11Å; Q292-V309 HydrophobicContact CB-CG1 3.52Å; Q292-V309 HydrophobicContact CB-CG2 4.29Å
293	L	97.6	Very high	96.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-41.9	173.5	-73.9	173.5	0	0	0	112.1	L238 V239 E242 F289 L290 P291 S296 I297 I306 V309 V310	L238-L293 HydrophobicContact CD2-CD2 4.33Å; V239-L293 HydrophobicContact CG1-CB 4.18Å; V239-L293 HydrophobicContact CG2-CB 3.89Å; E242-L293 HydrophobicContact CB-CD1 4.19Å; E242-L293 HydrophobicContact CG-CD1 3.91Å; F289-L293 HydrophobicContact CD1-CD1 4.33Å; F289-L293 HydrophobicContact CD2-CD1 3.75Å; F289-L293 HydrophobicContact CD2-CG 3.89Å; F289-L293 HydrophobicContact CE1-CD1 4.17Å; F289-L293 HydrophobicContact CE2-CD1 3.57Å; F289-L293 HydrophobicContact CE2-CD2 3.96Å; F289-L293 HydrophobicContact CE2-CG 3.77Å; F289-L293 HydrophobicContact CG-CD1 4.15Å; F289-L293 HydrophobicContact CZ-CD1 3.8Å; F289-L293 HydrophobicContact CZ-CG 4.45Å; F289-L293 WeakPolarHBondContact O-CG 3.34Å; F289-L293 PolarHBondContact O-N 2.95Å; F289-L293 VanDerWaalsContact O-N 3.08Å; L290-L293 PolarHBondContact O-N 2.97Å; L290-L293 VanDerWaalsContact O-N 3.17Å; P291-L293 VanDerWaalsContact C-N 3.34Å; L293-S296 PolarHBondContact O-N 3.3Å; L293-I297 WeakPolarHBondContact O-CG2 3.12Å; L293-I297 PolarHBondContact O-N 2.57Å; L293-I306 HydrophobicContact CD2-CD1 3.57Å; L293-I306 HydrophobicContact CD2-CG1 3.99Å; L293-V309 HydrophobicContact CD2-CB 4.16Å; L293-V309 HydrophobicContact CD2-CG1 3.95Å; L293-V309 HydrophobicContact CG-CG1 4.06Å; L293-V310 HydrophobicContact CD2-CG2 4.17Å
294	L	97.6	Very high	96	Very high	80 Å²	80	54 Å²	54	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.5	-74.7	168.2	0	0	0	112.3	V239 L290 P291 I297 R298	V239-L294 HydrophobicContact CG1-CD2 3.75Å; V239-L294 HydrophobicContact CG1-CG 4.11Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CD2 4.46Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CG-CD1 3.83Å; L290-L294 HydrophobicContact CG-CG 4.28Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.98Å; P291-L294 PolarHBondContact O-N 2.89Å; L294-I297 WeakPolarHBondContact O-CG2 3.42Å; L294-R298 WeakPolarHBondContact O-CB 3.33Å; L294-R298 PolarHBondContact O-N 3.08Å
295	E	96.6	Very high	95.9	Very high	105 Å²	105	57.8 Å²	57.8	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-49.1	171.7	173.1	156.5	-113.7	0	0	111.8	P291 I297 R298 D299	P291-E295 PolarHBondContact O-N 3.39Å; E295-I297 PolarHBondContact O-N 3.25Å; E295-R298 WeakPolarHBondContact O-CB 3.19Å; E295-R298 PolarHBondContact O-N 3.26Å; E295-R298 IonicContact OE1-NH2 2.83Å; E295-R298 PolarHBondContact OE1-NH2 2.76Å; E295-D299 PolarHBondContact O-N 2.89Å
296	S	96.1	Very high	95.9	Very high	14 Å²	14	57.8 Å²	57.8	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-30.7	-176.1	-156.3	0	0	0	0	113.2	Q292 L293 W300 R305	Q292-S296 WeakPolarHBondContact O-CB 3.48Å; Q292-S296 PolarHBondContact O-N 3.11Å; L293-S296 PolarHBondContact O-N 3.3Å; S296-W300 WeakPolarHBondContact O-CA 3.17Å; S296-W300 WeakPolarHBondContact O-CB 3.48Å; S296-W300 PolarHBondContact O-N 3Å; S296-R305 PolarHBondContact OG-O 2.86Å
297	I	96.5	Very high	95.9	Very high	24 Å²	24	55.1 Å²	55.1	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-75.6	-33	175.3	-164.6	61.4	0	0	0	112.6	A235 K236 V239 L293 L294 E295 D299 W300	A235-I297 HydrophobicContact CB-CD1 3.75Å; K236-I297 HydrophobicContact CB-CD1 4.49Å; V239-I297 HydrophobicContact CB-CG2 4.4Å; V239-I297 HydrophobicContact CG1-CG2 4.22Å; V239-I297 HydrophobicContact CG2-CB 3.96Å; V239-I297 HydrophobicContact CG2-CG1 4.35Å; V239-I297 HydrophobicContact CG2-CG2 4.09Å; L293-I297 WeakPolarHBondContact O-CG2 3.12Å; L293-I297 PolarHBondContact O-N 2.57Å; L294-I297 WeakPolarHBondContact O-CG2 3.42Å; E295-I297 PolarHBondContact O-N 3.25Å; I297-D299 VanDerWaalsContact C-N 3.33Å; I297-W300 HydrophobicContact CD1-CB 4.2Å; I297-W300 HydrophobicContact CD1-CG 4.39Å; I297-W300 WeakPolarHBondContact O-CB 3.08Å; I297-W300 PolarHBondContact O-N 3.07Å
298	R	95.9	Very high	95.9	Very high	156 Å²	156	54.2 Å²	54.2	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-57	-48.6	171.9	179.4	-166.9	71	-147.4	-5.9	110.5	L294 E295	L294-R298 WeakPolarHBondContact O-CB 3.33Å; L294-R298 PolarHBondContact O-N 3.08Å; E295-R298 WeakPolarHBondContact O-CB 3.19Å; E295-R298 PolarHBondContact O-N 3.26Å; E295-R298 IonicContact OE1-NH2 2.83Å; E295-R298 PolarHBondContact OE1-NH2 2.76Å
299	D	94.8	Very high	96	Very high	61 Å²	61	50.1 Å²	50.1	33%	0.326	25%	0.249	S	C	.	.	S	Bend	trans	-90	-2.1	-174.1	-58.5	-19	0	0	0	113	E295 I297 H301 T302 T303	E295-D299 PolarHBondContact O-N 2.89Å; I297-D299 VanDerWaalsContact C-N 3.33Å; D299-H301 VanDerWaalsContact C-N 3.26Å; D299-H301 PolarHBondContact O-N 3.43Å; D299-H301 VanDerWaalsContact O-N 3.16Å; D299-T302 PolarHBondContact O-N 3.45Å; D299-T303 HydrophobicContact CB-CG2 4.13Å; D299-T303 PolarHBondContact O-N 3.49Å; D299-T303 PolarHBondContact O-OG1 3.12Å
300	W	96	Very high	95.9	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-35.3	-174	-169.1	96.2	0	0	0	113.5	Y228 A231 W232 S296 I297 T302 T303 K304 Y382	Y228-W300 AromaticContact CD1-CH2 3.9Å; Y228-W300 HydrophobicContact CD1-CH2 3.9Å; Y228-W300 VanDerWaalsContact O-CH2 3.24Å; Y228-W300 WeakPolarHBondContact O-CH2 3.26Å; A231-W300 HydrophobicContact CB-CH2 4.05Å; A231-W300 HydrophobicContact CB-CZ2 3.89Å; W232-W300 HydrophobicContact CB-CE3 3.96Å; W232-W300 HydrophobicContact CB-CH2 3.95Å; W232-W300 HydrophobicContact CB-CZ3 3.62Å; W232-W300 AromaticContact CD1-CD2 3.91Å; W232-W300 AromaticContact CD1-CE3 3.47Å; W232-W300 VanDerWaalsContact CD1-CE3 3.47Å; W232-W300 HydrophobicContact CG-CE3 4.08Å; W232-W300 HydrophobicContact CG-CZ3 4.2Å; S296-W300 WeakPolarHBondContact O-CA 3.17Å; S296-W300 WeakPolarHBondContact O-CB 3.48Å; S296-W300 PolarHBondContact O-N 3Å; I297-W300 HydrophobicContact CD1-CB 4.2Å; I297-W300 HydrophobicContact CD1-CG 4.39Å; I297-W300 WeakPolarHBondContact O-CB 3.08Å; I297-W300 PolarHBondContact O-N 3.07Å; W300-T302 PolarHBondContact O-N 3.39Å; W300-T303 WeakPolarHBondContact CA-OG1 3.28Å; W300-T303 PolarHBondContact O-N 2.79Å; W300-K304 HydrophobicContact CD2-CD 4.5Å; W300-K304 HydrophobicContact CE3-CD 4.08Å; W300-K304 HydrophobicContact CH2-CD 3.86Å; W300-K304 HydrophobicContact CZ2-CD 4.27Å; W300-K304 HydrophobicContact CZ3-CD 3.74Å; W300-K304 VanDerWaalsContact O-CA 3.31Å; W300-K304 WeakPolarHBondContact O-CA 3.49Å; W300-K304 PolarHBondContact O-N 2.68Å; W300-Y382 HydrophobicContact CZ2-CE2 4.17Å; W300-Y382 AromaticContact NE1-CE2 3.93Å; W300-Y382 AromaticContact NE1-CZ 3.92Å; W300-Y382 PolarHBondContact NE1-OH 3.06Å; W300-Y382 VanDerWaalsContact NE1-OH 3.08Å
301	H	92.4	Very high	95.9	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-30.8	179	-72.3	-80.6	0	0	0	112.4	W232 D299 K304	W232-H301 AromaticContact CD1-CE1 3.89Å; W232-H301 AromaticContact CD1-NE2 3.73Å; W232-H301 AromaticContact CE2-CE1 3.87Å; W232-H301 AromaticContact CE2-NE2 3.44Å; W232-H301 AromaticContact CZ2-NE2 3.81Å; W232-H301 AromaticContact NE1-CD2 3.89Å; W232-H301 AromaticContact NE1-CE1 3.68Å; W232-H301 AromaticContact NE1-NE2 3.12Å; W232-H301 PolarHBondContact NE1-NE2 2.88Å; W232-H301 VanDerWaalsContact NE1-NE2 3.12Å; D299-H301 VanDerWaalsContact C-N 3.26Å; D299-H301 PolarHBondContact O-N 3.43Å; D299-H301 VanDerWaalsContact O-N 3.16Å; H301-K304 PolarHBondContact O-NZ 3.15Å
302	T	92.4	Very high	95.8	Very high	130 Å²	130	58.2 Å²	58.2	80%	0.798	28%	0.275	S	S	*	.	H	α-helix	trans	-92	-44.2	176.5	-51.2	0	0	0	0	112.1	D299 W300	D299-T302 PolarHBondContact O-N 3.45Å; W300-T302 PolarHBondContact O-N 3.39Å
303	T	93.4	Very high	95.7	Very high	58 Å²	58	56.9 Å²	56.9	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-87.4	-25.3	-171.4	64.1	0	0	0	0	114.6	D299 W300 R305 V391	D299-T303 HydrophobicContact CB-CG2 4.13Å; D299-T303 PolarHBondContact O-N 3.49Å; D299-T303 PolarHBondContact O-OG1 3.12Å; W300-T303 WeakPolarHBondContact CA-OG1 3.28Å; W300-T303 PolarHBondContact O-N 2.79Å; T303-R305 WeakPolarHBondContact O-CG 3.39Å; T303-R305 PolarHBondContact O-N 3.21Å; T303-R305 PolarHBondContact OG1-N 3.07Å; T303-V391 WeakPolarHBondContact O-CG2 3.37Å
304	K	94.2	Very high	95.5	Very high	59 Å²	59	57 Å²	57	26%	0.257	27%	0.269	S	S	.	.			trans	53.4	24.9	-167.1	-52.3	-54.1	-171.3	-149.4	0	114.7	Y228 W300 H301 Y382 V391 D392	Y228-K304 HydrophobicContact CD1-CD 3.87Å; Y228-K304 HydrophobicContact CD1-CG 4.36Å; Y228-K304 HydrophobicContact CE1-CB 4.37Å; Y228-K304 HydrophobicContact CE1-CD 3.98Å; Y228-K304 HydrophobicContact CE1-CG 3.94Å; W300-K304 HydrophobicContact CD2-CD 4.5Å; W300-K304 HydrophobicContact CE3-CD 4.08Å; W300-K304 HydrophobicContact CH2-CD 3.86Å; W300-K304 HydrophobicContact CZ2-CD 4.27Å; W300-K304 HydrophobicContact CZ3-CD 3.74Å; W300-K304 VanDerWaalsContact O-CA 3.31Å; W300-K304 WeakPolarHBondContact O-CA 3.49Å; W300-K304 PolarHBondContact O-N 2.68Å; H301-K304 PolarHBondContact O-NZ 3.15Å; K304-Y382 PolarHBondContact O-OH 2.86Å; K304-V391 HydrophobicContact CB-CG2 4.04Å; K304-D392 WeakPolarHBondContact O-CB 3.42Å
305	R	95.2	Very high	95.2	Very high	93 Å²	93	56 Å²	56	35%	0.351	27%	0.268	S	S	.	.			trans	-121.5	138.2	-174.5	-67.9	175.1	98.3	158.3	7.8	114	S296 T303 V391 D392 D395	S296-R305 PolarHBondContact OG-O 2.86Å; T303-R305 WeakPolarHBondContact O-CG 3.39Å; T303-R305 PolarHBondContact O-N 3.21Å; T303-R305 PolarHBondContact OG1-N 3.07Å; R305-V391 HydrophobicContact CG-CG2 3.88Å; R305-V391 PolarHBondContact NE-O 2.93Å; R305-D392 WeakPolarHBondContact CA-OD2 3.36Å; R305-D392 HydrophobicContact CG-CB 3.99Å; R305-D392 IonicContact NE-OD1 2.68Å; R305-D395 IonicContact CZ-OD2 2.68Å; R305-D395 IonicContact NE-OD2 3.23Å; R305-D395 IonicContact NH2-OD2 2.77Å; R305-D395 PolarHBondContact NH2-OD2 3.31Å
306	I	96.8	Very high	95	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	-147.7	-30.9	171.2	-166.7	60.7	0	0	0	111	A235 L238 V239 L293 N308 V309 Y382 D392	A235-I306 HydrophobicContact CB-CB 4.34Å; A235-I306 HydrophobicContact CB-CG1 4.41Å; A235-I306 HydrophobicContact CB-CG2 3.92Å; L238-I306 HydrophobicContact CD2-CG1 4.09Å; V239-I306 HydrophobicContact CG2-CD1 4.19Å; L293-I306 HydrophobicContact CD2-CD1 3.57Å; L293-I306 HydrophobicContact CD2-CG1 3.99Å; I306-N308 VanDerWaalsContact C-N 3.33Å; I306-N308 VanDerWaalsContact C-OD1 3.29Å; I306-N308 PolarHBondContact N-OD1 2.83Å; I306-N308 PolarHBondContact O-N 3.35Å; I306-N308 PolarHBondContact O-OD1 3.02Å; I306-V309 WeakPolarHBondContact O-CB 3.26Å; I306-V309 PolarHBondContact O-N 2.86Å; I306-Y382 HydrophobicContact CG2-CD1 4.12Å; I306-Y382 HydrophobicContact CG2-CD2 4.41Å; I306-Y382 HydrophobicContact CG2-CE1 3.55Å; I306-Y382 HydrophobicContact CG2-CE2 3.9Å; I306-Y382 VanDerWaalsContact CG2-CZ 3.42Å; I306-D392 PolarHBondContact N-OD2 2.81Å
307	A	96.6	Very high	94.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.3	-25.7	-176.1	0	0	0	0	0	112.8	V309 V310 R311 L379 Y382 D392 D395 T396	A307-V309 PolarHBondContact O-N 2.96Å; A307-V310 PolarHBondContact O-N 2.77Å; A307-V310 VanDerWaalsContact O-N 3.11Å; A307-R311 VanDerWaalsContact O-CB 3.27Å; A307-R311 WeakPolarHBondContact O-CB 3.49Å; A307-R311 PolarHBondContact O-N 2.88Å; A307-L379 HydrophobicContact CB-CD2 4.5Å; A307-Y382 HydrophobicContact CB-CE1 4.26Å; A307-D392 PolarHBondContact N-OD1 2.84Å; A307-D392 PolarHBondContact N-OD2 2.92Å; A307-D395 HydrophobicContact CB-CB 4.19Å; A307-T396 VanDerWaalsContact CB-CA 3.49Å; A307-T396 HydrophobicContact CB-CG2 4.41Å; A307-T396 WeakPolarHBondContact CB-OG1 3.48Å
308	N	95.2	Very high	94.5	Very high	49 Å²	49	59 Å²	59	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-49.8	-39.1	166.9	66.8	-37.2	0	0	0	113.1	I306 K312 D392 D395	I306-N308 VanDerWaalsContact C-N 3.33Å; I306-N308 VanDerWaalsContact C-OD1 3.29Å; I306-N308 PolarHBondContact N-OD1 2.83Å; I306-N308 PolarHBondContact O-N 3.35Å; I306-N308 PolarHBondContact O-OD1 3.02Å; N308-K312 WeakPolarHBondContact O-CB 3.23Å; N308-K312 PolarHBondContact O-N 3.08Å; N308-D392 PolarHBondContact N-OD1 2.89Å; N308-D395 WeakPolarHBondContact CB-OD2 3.45Å
309	V	97.3	Very high	94.2	Very high	9 Å²	9	54 Å²	54	6%	0.055	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-49.3	175.2	179.7	0	0	0	0	110.4	F289 Q292 L293 I306 A307 R311 K312 Q313	F289-V309 HydrophobicContact CD2-CG1 4.1Å; F289-V309 HydrophobicContact CE2-CG1 4.12Å; Q292-V309 HydrophobicContact CB-CG1 3.52Å; Q292-V309 HydrophobicContact CB-CG2 4.29Å; L293-V309 HydrophobicContact CD2-CB 4.16Å; L293-V309 HydrophobicContact CD2-CG1 3.95Å; L293-V309 HydrophobicContact CG-CG1 4.06Å; I306-V309 WeakPolarHBondContact O-CB 3.26Å; I306-V309 PolarHBondContact O-N 2.86Å; A307-V309 PolarHBondContact O-N 2.96Å; V309-R311 VanDerWaalsContact C-N 3.34Å; V309-R311 PolarHBondContact O-N 2.98Å; V309-K312 WeakPolarHBondContact O-CB 3.44Å; V309-K312 PolarHBondContact O-N 2.83Å; V309-K312 VanDerWaalsContact O-N 3.15Å; V309-Q313 HydrophobicContact CG1-CG 4.45Å; V309-Q313 WeakPolarHBondContact O-CG 3.26Å; V309-Q313 PolarHBondContact O-N 2.77Å; V309-Q313 VanDerWaalsContact O-N 3.07Å
310	V	96.2	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-43.3	-179.6	-170	0	0	0	0	110.8	L238 F289 L293 A307 K312 Q313 A314 L379 A399 V403	L238-V310 HydrophobicContact CD2-CG2 3.88Å; F289-V310 HydrophobicContact CE2-CB 4.47Å; F289-V310 HydrophobicContact CE2-CG2 4.14Å; F289-V310 HydrophobicContact CZ-CB 4.45Å; F289-V310 HydrophobicContact CZ-CG1 4.17Å; F289-V310 HydrophobicContact CZ-CG2 4.11Å; L293-V310 HydrophobicContact CD2-CG2 4.17Å; A307-V310 PolarHBondContact O-N 2.77Å; A307-V310 VanDerWaalsContact O-N 3.11Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 3.06Å; V310-Q313 PolarHBondContact O-N 2.81Å; V310-Q313 VanDerWaalsContact O-N 3.13Å; V310-A314 WeakPolarHBondContact O-CB 3.45Å; V310-A314 PolarHBondContact O-N 3.29Å; V310-L379 HydrophobicContact CB-CD2 4.3Å; V310-L379 HydrophobicContact CG1-CD1 3.99Å; V310-L379 HydrophobicContact CG1-CD2 4.23Å; V310-L379 HydrophobicContact CG1-CG 4.49Å; V310-L379 HydrophobicContact CG2-CD2 4.27Å; V310-A399 HydrophobicContact CB-CB 4.14Å; V310-A399 HydrophobicContact CG1-CB 4.2Å; V310-V403 HydrophobicContact CG1-CG2 4.34Å
311	R	96.7	Very high	93.5	Very high	108 Å²	108	51.8 Å²	51.8	41%	0.408	25%	0.25	S	S	.	.	H	α-helix	trans	-54.8	-42.7	174.1	-170.2	-172.1	71.6	158.2	7.8	112.5	A307 V309 D395 V398 A399 L402	A307-R311 VanDerWaalsContact O-CB 3.27Å; A307-R311 WeakPolarHBondContact O-CB 3.49Å; A307-R311 PolarHBondContact O-N 2.88Å; V309-R311 VanDerWaalsContact C-N 3.34Å; V309-R311 PolarHBondContact O-N 2.98Å; R311-D395 WeakPolarHBondContact CD-OD1 3.47Å; R311-D395 IonicContact CZ-OD1 3.82Å; R311-D395 IonicContact NE-OD1 3.12Å; R311-D395 PolarHBondContact NE-OD1 3.37Å; R311-D395 IonicContact NH1-OD1 3.35Å; R311-D395 PolarHBondContact NH1-OD1 3.32Å; R311-D395 IonicContact NH2-OD1 2.79Å; R311-V398 HydrophobicContact CG-CB 4.15Å; R311-V398 HydrophobicContact CG-CG1 3.88Å; R311-A399 HydrophobicContact CB-CB 4.06Å; R311-L402 HydrophobicContact CG-CD1 4.32Å
312	K	96.3	Very high	93.3	Very high	129 Å²	129	52 Å²	52	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-69.1	-33.8	178.8	-177.8	-174.9	174	-168.5	0	112.5	N308 V309 V310	N308-K312 WeakPolarHBondContact O-CB 3.23Å; N308-K312 PolarHBondContact O-N 3.08Å; V309-K312 WeakPolarHBondContact O-CB 3.44Å; V309-K312 PolarHBondContact O-N 2.83Å; V309-K312 VanDerWaalsContact O-N 3.15Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 3.06Å
313	Q	95.7	Very high	93.2	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.065	21%	0.214	C	C	.	.	H	α-helix	trans	-99.8	-20.4	-173.3	-58.4	-54	-26	0	0	114.1	F284 F289 V309 V310 F316	F284-Q313 HydrophobicContact CE2-CB 4.47Å; F284-Q313 HydrophobicContact CZ-CB 4.05Å; F289-Q313 HydrophobicContact CD2-CB 3.76Å; F289-Q313 HydrophobicContact CD2-CG 3.76Å; F289-Q313 HydrophobicContact CE2-CB 4.04Å; F289-Q313 HydrophobicContact CE2-CG 4.34Å; F289-Q313 HydrophobicContact CG-CB 4.24Å; F289-Q313 HydrophobicContact CG-CG 4.41Å; V309-Q313 HydrophobicContact CG1-CG 4.45Å; V309-Q313 WeakPolarHBondContact O-CG 3.26Å; V309-Q313 PolarHBondContact O-N 2.77Å; V309-Q313 VanDerWaalsContact O-N 3.07Å; V310-Q313 PolarHBondContact O-N 2.81Å; V310-Q313 VanDerWaalsContact O-N 3.13Å; Q313-F316 WeakPolarHBondContact O-CB 3.5Å; Q313-F316 PolarHBondContact O-N 2.72Å; Q313-F316 VanDerWaalsContact O-N 3.1Å
314	A	93	Very high	92.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-54.8	-35.1	-178.9	0	0	0	0	0	115.5	V310 F316 L317 L402 V403	V310-A314 WeakPolarHBondContact O-CB 3.45Å; V310-A314 PolarHBondContact O-N 3.29Å; A314-F316 PolarHBondContact O-N 3.38Å; A314-L317 HydrophobicContact CB-CD1 4.3Å; A314-L317 VanDerWaalsContact O-CB 3.3Å; A314-L317 WeakPolarHBondContact O-CB 3.46Å; A314-L317 PolarHBondContact O-N 2.9Å; A314-L317 VanDerWaalsContact O-N 3.07Å; A314-L402 HydrophobicContact CB-CB 3.62Å; A314-L402 HydrophobicContact CB-CD1 4.4Å; A314-V403 HydrophobicContact CB-CG2 4.1Å
315	P	91.9	Very high	92.3	Very high	60 Å²	60	42.1 Å²	42.1	39%	0.39	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-58.1	-31.6	176.2	-27.6	37	0	0	0	114.1	L317 L402	P315-L317 VanDerWaalsContact C-N 3.33Å; P315-L402 HydrophobicContact CG-CD1 4.45Å
316	F	93.2	Very high	91.9	Very high	117 Å²	117	38.4 Å²	38.4	51%	0.513	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-73.6	-22.9	178.6	-61.7	-79.6	0	0	0	112.8	F284 Q313 A314 K318 M319	F284-F316 HydrophobicContact CD2-CB 4.13Å; F284-F316 HydrophobicContact CD2-CG 4.41Å; F284-F316 HydrophobicContact CE1-CB 4.28Å; F284-F316 HydrophobicContact CE2-CB 3.51Å; F284-F316 AromaticContact CE2-CD2 3.89Å; F284-F316 HydrophobicContact CE2-CD2 3.89Å; F284-F316 AromaticContact CE2-CG 3.81Å; F284-F316 HydrophobicContact CE2-CG 3.81Å; F284-F316 HydrophobicContact CZ-CB 3.6Å; F284-F316 HydrophobicContact CZ-CD2 4.42Å; F284-F316 HydrophobicContact CZ-CG 4.32Å; Q313-F316 WeakPolarHBondContact O-CB 3.5Å; Q313-F316 PolarHBondContact O-N 2.72Å; Q313-F316 VanDerWaalsContact O-N 3.1Å; A314-F316 PolarHBondContact O-N 3.38Å; F316-K318 PolarHBondContact O-N 2.95Å; F316-M319 WeakPolarHBondContact O-CB 3.35Å; F316-M319 WeakPolarHBondContact O-CG 3.25Å; F316-M319 PolarHBondContact O-N 2.89Å
317	L	92.8	Very high	91.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.7	-14.9	176.8	-59	175.5	0	0	0	113	F284 A314 P315 M319 Y320 Y375 V403 A406	F284-L317 HydrophobicContact CE1-CD2 4.1Å; A314-L317 HydrophobicContact CB-CD1 4.3Å; A314-L317 VanDerWaalsContact O-CB 3.3Å; A314-L317 WeakPolarHBondContact O-CB 3.46Å; A314-L317 PolarHBondContact O-N 2.9Å; A314-L317 VanDerWaalsContact O-N 3.07Å; P315-L317 VanDerWaalsContact C-N 3.33Å; L317-M319 PolarHBondContact O-N 3.37Å; L317-M319 VanDerWaalsContact O-N 3.16Å; L317-Y320 HydrophobicContact CB-CD2 4.36Å; L317-Y320 HydrophobicContact CD2-CD2 4.24Å; L317-Y320 HydrophobicContact CD2-CE2 3.63Å; L317-Y320 WeakPolarHBondContact O-CB 3.31Å; L317-Y320 VanDerWaalsContact O-CD2 3.31Å; L317-Y320 WeakPolarHBondContact O-CD2 3.36Å; L317-Y320 PolarHBondContact O-N 2.87Å; L317-Y320 VanDerWaalsContact O-N 3.1Å; L317-Y375 HydrophobicContact CD1-CD2 3.88Å; L317-Y375 HydrophobicContact CD1-CE2 4.21Å; L317-Y375 HydrophobicContact CD2-CD2 4.33Å; L317-Y375 HydrophobicContact CD2-CE2 3.82Å; L317-V403 HydrophobicContact CD1-CG2 3.91Å; L317-A406 HydrophobicContact CB-CB 3.85Å
318	K	88.1	Confident	90.6	Very high	89 Å²	89	44.6 Å²	44.6	39%	0.387	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-56.9	-25	169.5	-68.4	178.9	-180	179	0	112.8	F316 Y320 S321 A406	F316-K318 PolarHBondContact O-N 2.95Å; K318-Y320 PolarHBondContact O-N 3.3Å; K318-S321 PolarHBondContact O-N 2.71Å; K318-S321 VanDerWaalsContact O-N 3.14Å; K318-S321 PolarHBondContact O-OG 3.49Å; K318-A406 HydrophobicContact CG-CB 4.08Å
319	M	90.1	Very high	90.2	Very high	50 Å²	50	49.1 Å²	49.1	25%	0.246	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.7	-20.5	175.5	76.6	-169.2	-70	0	0	114	N277 L281 F284 F316 L317 S321 E322	N277-M319 PolarHBondContact ND2-O 2.9Å; L281-M319 HydrophobicContact CD2-CE 4.09Å; L281-M319 HydrophobicContact CD2-CG 3.68Å; L281-M319 HydrophobicContact CD2-SD 3.97Å; L281-M319 HydrophobicContact CG-CE 4.31Å; F284-M319 HydrophobicContact CB-SD 4.17Å; F284-M319 HydrophobicContact CD1-SD 4.11Å; F284-M319 HydrophobicContact CG-SD 4.18Å; F316-M319 WeakPolarHBondContact O-CB 3.35Å; F316-M319 WeakPolarHBondContact O-CG 3.25Å; F316-M319 PolarHBondContact O-N 2.89Å; L317-M319 PolarHBondContact O-N 3.37Å; L317-M319 VanDerWaalsContact O-N 3.16Å; M319-S321 PolarHBondContact O-N 3.44Å; M319-E322 PolarHBondContact O-N 2.78Å
320	Y	90.1	Very high	89.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-23.2	174.7	-82.6	-103.1	0	0	0	112.8	Y245 L281 H285 L317 K318 E322 Y323 T324 P368 V372	Y245-Y320 VanDerWaalsContact CE1-OH 3.24Å; Y245-Y320 WeakPolarHBondContact CE1-OH 3.27Å; Y245-Y320 VanDerWaalsContact OH-CE1 3.28Å; Y245-Y320 WeakPolarHBondContact OH-CE1 3.16Å; Y245-Y320 PolarHBondContact OH-OH 3.32Å; L281-Y320 HydrophobicContact CD2-CD1 4.25Å; L281-Y320 HydrophobicContact CD2-CD2 3.65Å; L281-Y320 HydrophobicContact CD2-CE1 4.21Å; L281-Y320 HydrophobicContact CD2-CE2 3.61Å; L281-Y320 HydrophobicContact CD2-CG 4.03Å; H285-Y320 PolarHBondContact CE1-OH 3.18Å; H285-Y320 VanDerWaalsContact CE1-OH 3.23Å; H285-Y320 AromaticContact NE2-CE2 3.39Å; H285-Y320 WeakPolarHBondContact NE2-CE2 3.49Å; H285-Y320 AromaticContact NE2-CZ 3.52Å; H285-Y320 PolarHBondContact NE2-OH 2.81Å; L317-Y320 HydrophobicContact CB-CD2 4.36Å; L317-Y320 HydrophobicContact CD2-CD2 4.24Å; L317-Y320 HydrophobicContact CD2-CE2 3.63Å; L317-Y320 WeakPolarHBondContact O-CB 3.31Å; L317-Y320 VanDerWaalsContact O-CD2 3.31Å; L317-Y320 WeakPolarHBondContact O-CD2 3.36Å; L317-Y320 PolarHBondContact O-N 2.87Å; L317-Y320 VanDerWaalsContact O-N 3.1Å; K318-Y320 PolarHBondContact O-N 3.3Å; Y320-E322 PolarHBondContact O-N 3.21Å; Y320-Y323 PolarHBondContact O-N 3.47Å; Y320-T324 PolarHBondContact O-N 3.23Å; Y320-T324 PolarHBondContact O-OG1 2.68Å; Y320-P368 HydrophobicContact CD1-CB 4.18Å; Y320-P368 WeakPolarHBondContact CD1-O 3.09Å; Y320-P368 HydrophobicContact CE1-CB 3.89Å; Y320-P368 WeakPolarHBondContact CE1-O 3.12Å; Y320-V372 HydrophobicContact CD1-CB 3.72Å; Y320-V372 HydrophobicContact CD1-CG1 3.99Å; Y320-V372 HydrophobicContact CD1-CG2 4.49Å; Y320-V372 HydrophobicContact CD2-CB 4.34Å; Y320-V372 HydrophobicContact CD2-CG2 4.37Å; Y320-V372 HydrophobicContact CE1-CB 3.96Å; Y320-V372 HydrophobicContact CG-CB 3.89Å; Y320-V372 HydrophobicContact CG-CG1 4.34Å; Y320-V372 HydrophobicContact CG-CG2 4.15Å
321	S	86.8	Confident	89.3	Confident	16 Å²	16	50.6 Å²	50.6	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-33.1	179.8	63.8	0	0	0	0	112.6	K318 M319 T324 N325 H409	K318-S321 PolarHBondContact O-N 2.71Å; K318-S321 VanDerWaalsContact O-N 3.14Å; K318-S321 PolarHBondContact O-OG 3.49Å; M319-S321 PolarHBondContact O-N 3.44Å; S321-T324 WeakPolarHBondContact CA-OG1 3.09Å; S321-T324 PolarHBondContact O-OG1 2.87Å; S321-N325 WeakPolarHBondContact O-CB 3.49Å; S321-N325 PolarHBondContact O-N 2.84Å; S321-N325 PolarHBondContact O-ND2 2.88Å; S321-N325 PolarHBondContact O-OD1 2.91Å; S321-H409 PolarHBondContact OG-CE1 2.98Å
322	E	87.1	Confident	89	Confident	108 Å²	108	52.5 Å²	52.5	51%	0.505	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-40	175.4	-177	-176.2	177.5	0	0	111.8	N277 M319 Y320 N326	N277-E322 HydrophobicContact CB-CG 4.41Å; N277-E322 WeakPolarHBondContact CB-OE2 3.41Å; N277-E322 WeakPolarHBondContact ND2-CB 3.09Å; N277-E322 PolarHBondContact ND2-OE2 2.82Å; M319-E322 PolarHBondContact O-N 2.78Å; Y320-E322 PolarHBondContact O-N 3.21Å; E322-N326 PolarHBondContact O-N 2.9Å
323	Y	89.6	Confident	88.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-48.6	176.1	-168.4	-97.2	0	0	0	112.3	A276 V278 L281 Y320 N325 N326 Y327 L365 P368 V369	A276-Y323 HydrophobicContact CB-CD2 4.08Å; V278-Y323 HydrophobicContact CG2-CD2 3.5Å; V278-Y323 HydrophobicContact CG2-CE2 3.18Å; L281-Y323 HydrophobicContact CD1-CG 4.4Å; Y320-Y323 PolarHBondContact O-N 3.47Å; Y323-N325 VanDerWaalsContact C-N 3.29Å; Y323-N325 PolarHBondContact O-N 3.25Å; Y323-N326 CarbonylContact O-C 3.55Å; Y323-N326 WeakPolarHBondContact O-CA 3.27Å; Y323-N326 PolarHBondContact O-N 3.2Å; Y323-Y327 HydrophobicContact CE1-CD2 4.14Å; Y323-Y327 PolarHBondContact O-N 3.17Å; Y323-L365 WeakPolarHBondContact CE1-O 3.44Å; Y323-L365 PolarHBondContact OH-O 2.79Å; Y323-P368 HydrophobicContact CD1-CB 3.68Å; Y323-P368 HydrophobicContact CD1-CG 4.07Å; Y323-P368 HydrophobicContact CE1-CB 3.84Å; Y323-P368 HydrophobicContact CE1-CG 3.75Å; Y323-P368 HydrophobicContact CG-CB 4.32Å; Y323-V369 HydrophobicContact CD1-CG2 4.15Å; Y323-V369 HydrophobicContact CE1-CG2 4.11Å
324	T	86.6	Confident	88.7	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-39.6	-179.1	60.8	0	0	0	0	111.2	Y320 S321 N326 Y327 V369 A410 M414	Y320-T324 PolarHBondContact O-N 3.23Å; Y320-T324 PolarHBondContact O-OG1 2.68Å; S321-T324 WeakPolarHBondContact CA-OG1 3.09Å; S321-T324 PolarHBondContact O-OG1 2.87Å; T324-N326 PolarHBondContact O-N 3.1Å; T324-N326 VanDerWaalsContact O-N 3.16Å; T324-Y327 PolarHBondContact O-N 3.24Å; T324-V369 HydrophobicContact CG2-CG1 4.28Å; T324-V369 HydrophobicContact CG2-CG2 4.3Å; T324-A410 HydrophobicContact CG2-CB 4.22Å; T324-M414 WeakPolarHBondContact O-CE 3.42Å
325	N	82.6	Confident	88.7	Confident	36 Å²	36	50.7 Å²	50.7	19%	0.193	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-23.3	171.8	-75.1	-11.1	0	0	0	114.4	S321 Y323 R329 M413 M414 L417	S321-N325 WeakPolarHBondContact O-CB 3.49Å; S321-N325 PolarHBondContact O-N 2.84Å; S321-N325 PolarHBondContact O-ND2 2.88Å; S321-N325 PolarHBondContact O-OD1 2.91Å; Y323-N325 VanDerWaalsContact C-N 3.29Å; Y323-N325 PolarHBondContact O-N 3.25Å; N325-R329 PolarHBondContact O-NH2 3.15Å; N325-M413 WeakPolarHBondContact ND2-CB 3.36Å; N325-M413 VanDerWaalsContact OD1-CB 3.31Å; N325-M413 WeakPolarHBondContact OD1-CB 3.5Å; N325-M414 WeakPolarHBondContact OD1-CA 3.32Å; N325-M414 WeakPolarHBondContact OD1-CG 3.48Å; N325-M414 PolarHBondContact OD1-N 2.9Å; N325-L417 HydrophobicContact CB-CD1 3.58Å; N325-L417 VanDerWaalsContact CG-CD1 3.44Å
326	N	86.5	Confident	88.8	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.08	25%	0.248	C	C	.	.	H	α-helix	trans	-107.1	-19.1	-176.2	-168	68	0	0	0	113.6	R273 A276 E322 Y323 T324 D328 R329 A330	R273-N326 PolarHBondContact O-ND2 3.31Å; A276-N326 HydrophobicContact CB-CB 4Å; E322-N326 PolarHBondContact O-N 2.9Å; Y323-N326 CarbonylContact O-C 3.55Å; Y323-N326 WeakPolarHBondContact O-CA 3.27Å; Y323-N326 PolarHBondContact O-N 3.2Å; T324-N326 PolarHBondContact O-N 3.1Å; T324-N326 VanDerWaalsContact O-N 3.16Å; N326-D328 PolarHBondContact O-N 2.88Å; N326-R329 WeakPolarHBondContact O-CA 3.25Å; N326-R329 WeakPolarHBondContact O-CB 3.35Å; N326-R329 PolarHBondContact O-N 3.13Å; N326-A330 PolarHBondContact O-N 2.89Å
327	Y	86.2	Confident	88.8	Confident	44 Å²	44	48.2 Å²	48.2	17%	0.173	22%	0.224	C	C	.	.	H	α-helix	trans	-48.9	-49.2	-172.4	171.7	-100.3	0	0	0	114.2	Y323 T324 R329 A330 T331 L365 I366 V369	Y323-Y327 HydrophobicContact CE1-CD2 4.14Å; Y323-Y327 PolarHBondContact O-N 3.17Å; T324-Y327 PolarHBondContact O-N 3.24Å; Y327-R329 VanDerWaalsContact C-N 3.26Å; Y327-R329 PolarHBondContact O-N 3.49Å; Y327-A330 PolarHBondContact O-N 2.86Å; Y327-T331 VanDerWaalsContact CE2-OG1 3.24Å; Y327-T331 WeakPolarHBondContact CE2-OG1 3.4Å; Y327-T331 WeakPolarHBondContact O-CB 3.42Å; Y327-T331 PolarHBondContact O-N 2.99Å; Y327-T331 PolarHBondContact O-OG1 2.99Å; Y327-L365 WeakPolarHBondContact CD2-O 3.48Å; Y327-L365 HydrophobicContact CE2-CB 4.05Å; Y327-L365 WeakPolarHBondContact CE2-O 3.37Å; Y327-I366 HydrophobicContact CD1-CD1 4.23Å; Y327-I366 HydrophobicContact CD2-CD1 4.47Å; Y327-I366 HydrophobicContact CE1-CD1 3.62Å; Y327-I366 HydrophobicContact CE2-CB 3.95Å; Y327-I366 HydrophobicContact CE2-CD1 3.91Å; Y327-I366 VanDerWaalsContact CZ-CD1 3.45Å; Y327-V369 HydrophobicContact CD1-CG2 4.43Å; Y327-V369 HydrophobicContact CD2-CG2 4.05Å; Y327-V369 HydrophobicContact CG-CG2 3.89Å
328	D	80.8	Confident	88.7	Confident	87 Å²	87	51.5 Å²	51.5	47%	0.465	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-30.4	-179.8	-63.5	-42.5	0	0	0	113.3	N326 K332	N326-D328 PolarHBondContact O-N 2.88Å; D328-K332 WeakPolarHBondContact O-CD 3.47Å; D328-K332 VanDerWaalsContact O-CG 3.26Å; D328-K332 WeakPolarHBondContact O-CG 3.24Å; D328-K332 PolarHBondContact O-N 3.25Å
329	R	86.6	Confident	88.9	Confident	143 Å²	143	55.6 Å²	55.6	54%	0.54	26%	0.257	S	S	.	.	H	α-helix	trans	-78.2	-41	177.1	-68.1	179.1	-78.2	158	-3.5	110.8	N325 N326 Y327 L333	N325-R329 PolarHBondContact O-NH2 3.15Å; N326-R329 WeakPolarHBondContact O-CA 3.25Å; N326-R329 WeakPolarHBondContact O-CB 3.35Å; N326-R329 PolarHBondContact O-N 3.13Å; Y327-R329 VanDerWaalsContact C-N 3.26Å; Y327-R329 PolarHBondContact O-N 3.49Å; R329-L333 VanDerWaalsContact O-CB 3.25Å; R329-L333 WeakPolarHBondContact O-CB 3.28Å; R329-L333 PolarHBondContact O-N 2.96Å
330	A	89.4	Confident	89.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-47.7	172.6	0	0	0	0	0	111.9	L274 N326 Y327 L333 F334	L274-A330 WeakPolarHBondContact CD1-O 3.19Å; L274-A330 VanDerWaalsContact O-CB 3.27Å; L274-A330 WeakPolarHBondContact O-CB 3.44Å; N326-A330 PolarHBondContact O-N 2.89Å; Y327-A330 PolarHBondContact O-N 2.86Å; A330-L333 PolarHBondContact O-N 3.44Å; A330-F334 WeakPolarHBondContact O-CB 3.47Å; A330-F334 PolarHBondContact O-N 2.84Å
331	T	85.8	Confident	89.3	Confident	41 Å²	41	66.4 Å²	66.4	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-42.5	-178.5	-59.5	0	0	0	0	112.2	Y327 F334 E335	Y327-T331 VanDerWaalsContact CE2-OG1 3.24Å; Y327-T331 WeakPolarHBondContact CE2-OG1 3.4Å; Y327-T331 WeakPolarHBondContact O-CB 3.42Å; Y327-T331 PolarHBondContact O-N 2.99Å; Y327-T331 PolarHBondContact O-OG1 2.99Å; T331-F334 PolarHBondContact O-N 2.88Å; T331-E335 PolarHBondContact O-N 3.28Å
332	K	89.6	Confident	89.5	Confident	148 Å²	148	73.6 Å²	73.6	64%	0.643	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-46.1	172.9	-72.5	170.1	-175.9	174.4	0	111.6	D328 F334 E335 E336	D328-K332 WeakPolarHBondContact O-CD 3.47Å; D328-K332 VanDerWaalsContact O-CG 3.26Å; D328-K332 WeakPolarHBondContact O-CG 3.24Å; D328-K332 PolarHBondContact O-N 3.25Å; K332-F334 VanDerWaalsContact C-N 3.33Å; K332-F334 PolarHBondContact O-N 2.65Å; K332-E335 PolarHBondContact O-N 3.47Å; K332-E336 WeakPolarHBondContact O-CG 3.3Å; K332-E336 PolarHBondContact O-N 2.89Å
333	L	92.4	Very high	89.9	Confident	22 Å²	22	68.6 Å²	68.6	12%	0.115	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-36.7	176.7	179.7	60.8	0	0	0	112.3	R273 L274 R329 A330 E336 L337	R273-L333 HydrophobicContact CB-CD2 3.77Å; L274-L333 HydrophobicContact CB-CD2 4.15Å; L274-L333 HydrophobicContact CD1-CG 4.47Å; R329-L333 VanDerWaalsContact O-CB 3.25Å; R329-L333 WeakPolarHBondContact O-CB 3.28Å; R329-L333 PolarHBondContact O-N 2.96Å; A330-L333 PolarHBondContact O-N 3.44Å; L333-E336 PolarHBondContact O-N 3.17Å; L333-L337 HydrophobicContact CD1-CD1 3.95Å; L333-L337 HydrophobicContact CD1-CG 4.04Å; L333-L337 HydrophobicContact CG-CD1 3.89Å; L333-L337 HydrophobicContact CG-CG 4.38Å; L333-L337 WeakPolarHBondContact O-CB 3.21Å; L333-L337 WeakPolarHBondContact O-CG 3.18Å; L333-L337 PolarHBondContact O-N 3.01Å
334	F	94.4	Very high	90.1	Very high	1 Å²	1	69.2 Å²	69.2	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-51.7	176.2	-175.8	-98.6	0	0	0	111.2	F256 L274 A330 T331 K332 E336 L337 K338 F343 V347 L361 L365	F256-F334 HydrophobicContact CE1-CD2 4.48Å; F256-F334 HydrophobicContact CE1-CE2 4.2Å; F256-F334 HydrophobicContact CZ-CD2 4.37Å; F256-F334 AromaticContact CZ-CE2 3.94Å; F256-F334 HydrophobicContact CZ-CE2 3.94Å; L274-F334 HydrophobicContact CD1-CB 3.78Å; L274-F334 HydrophobicContact CD1-CD2 4.17Å; L274-F334 HydrophobicContact CD1-CG 4.49Å; A330-F334 WeakPolarHBondContact O-CB 3.47Å; A330-F334 PolarHBondContact O-N 2.84Å; T331-F334 PolarHBondContact O-N 2.88Å; K332-F334 VanDerWaalsContact C-N 3.33Å; K332-F334 PolarHBondContact O-N 2.65Å; F334-E336 VanDerWaalsContact C-N 3.33Å; F334-E336 PolarHBondContact O-N 3.32Å; F334-L337 PolarHBondContact O-N 3.22Å; F334-L337 VanDerWaalsContact O-N 3.17Å; F334-K338 HydrophobicContact CD1-CD 4.38Å; F334-K338 HydrophobicContact CE1-CD 3.89Å; F334-K338 VanDerWaalsContact O-CB 3.29Å; F334-K338 WeakPolarHBondContact O-CB 3.32Å; F334-K338 PolarHBondContact O-N 2.94Å; F334-F343 HydrophobicContact CD2-CE1 4.14Å; F334-F343 HydrophobicContact CD2-CZ 4.03Å; F334-F343 HydrophobicContact CE2-CE1 4.09Å; F334-F343 HydrophobicContact CE2-CZ 4.2Å; F334-V347 HydrophobicContact CE2-CG2 4.09Å; F334-V347 HydrophobicContact CZ-CG1 4.05Å; F334-V347 HydrophobicContact CZ-CG2 4.15Å; F334-L361 HydrophobicContact CE2-CD2 4.44Å; F334-L361 HydrophobicContact CZ-CB 4.13Å; F334-L361 HydrophobicContact CZ-CG 4.5Å; F334-L365 HydrophobicContact CB-CD1 4.04Å; F334-L365 HydrophobicContact CD1-CD1 4.46Å; F334-L365 HydrophobicContact CD2-CD1 4.2Å; F334-L365 HydrophobicContact CG-CD1 3.99Å
335	E	92.1	Very high	90.5	Very high	83 Å²	83	71.6 Å²	71.6	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-71.3	-24.2	179.9	-67.3	-61.9	134	0	0	113.2	T331 K332 K338 K339	T331-E335 PolarHBondContact O-N 3.28Å; K332-E335 PolarHBondContact O-N 3.47Å; E335-K338 VanDerWaalsContact OE1-CD 3.3Å; E335-K338 WeakPolarHBondContact OE1-CD 3.46Å; E335-K338 IonicContact OE1-NZ 3.1Å; E335-K338 PolarHBondContact OE1-NZ 3.31Å; E335-K338 WeakPolarHBondContact OE2-CD 3.4Å; E335-K338 IonicContact OE2-NZ 2.75Å; E335-K338 PolarHBondContact OE2-NZ 2.77Å; E335-K339 WeakPolarHBondContact O-CE 3.27Å
336	E	93.2	Very high	91.1	Very high	120 Å²	120	70.2 Å²	70.2	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-67	-45.8	165.3	-77.9	178.4	-164.4	0	0	112.4	K332 L333 F334 K339	K332-E336 WeakPolarHBondContact O-CG 3.3Å; K332-E336 PolarHBondContact O-N 2.89Å; L333-E336 PolarHBondContact O-N 3.17Å; F334-E336 VanDerWaalsContact C-N 3.33Å; F334-E336 PolarHBondContact O-N 3.32Å; E336-K339 WeakPolarHBondContact O-CB 3.23Å; E336-K339 PolarHBondContact O-N 2.64Å
337	L	93.1	Very high	91.4	Very high	4 Å²	4	69.6 Å²	69.6	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-70.6	-33.1	-179.1	-70.7	172.4	0	0	0	112.4	I266 L274 L333 F334 K339 K340 F343	I266-L337 HydrophobicContact CD1-CD1 3.97Å; I266-L337 HydrophobicContact CG2-CD1 3.84Å; I266-L337 HydrophobicContact CG2-CD2 3.5Å; I266-L337 HydrophobicContact CG2-CG 4.31Å; L274-L337 HydrophobicContact CD2-CD1 4.29Å; L333-L337 HydrophobicContact CD1-CD1 3.95Å; L333-L337 HydrophobicContact CD1-CG 4.04Å; L333-L337 HydrophobicContact CG-CD1 3.89Å; L333-L337 HydrophobicContact CG-CG 4.38Å; L333-L337 WeakPolarHBondContact O-CB 3.21Å; L333-L337 WeakPolarHBondContact O-CG 3.18Å; L333-L337 PolarHBondContact O-N 3.01Å; F334-L337 PolarHBondContact O-N 3.22Å; F334-L337 VanDerWaalsContact O-N 3.17Å; L337-K339 PolarHBondContact O-N 3.17Å; L337-K339 VanDerWaalsContact O-N 3.14Å; L337-K340 HydrophobicContact CD2-CD 4.27Å; L337-K340 VanDerWaalsContact O-CB 3.27Å; L337-K340 WeakPolarHBondContact O-CB 3.44Å; L337-K340 PolarHBondContact O-N 3.35Å; L337-F343 VanDerWaalsContact C-CD1 3.45Å; L337-F343 HydrophobicContact CB-CD1 3.78Å; L337-F343 HydrophobicContact CB-CD2 3.99Å; L337-F343 HydrophobicContact CB-CE1 3.59Å; L337-F343 HydrophobicContact CB-CE2 3.81Å; L337-F343 HydrophobicContact CB-CG 3.96Å; L337-F343 HydrophobicContact CB-CZ 3.6Å; L337-F343 HydrophobicContact CD1-CD2 4.43Å; L337-F343 HydrophobicContact CD1-CE2 3.78Å; L337-F343 HydrophobicContact CD1-CZ 3.97Å; L337-F343 HydrophobicContact CG-CE2 4.38Å; L337-F343 HydrophobicContact CG-CZ 4.46Å; L337-F343 WeakPolarHBondContact O-CD1 3.15Å
338	K	91.9	Very high	91.8	Very high	71 Å²	71	72.5 Å²	72.5	31%	0.309	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.2	175.2	-166.2	174.7	172.9	-171.5	0	114	F334 E335 K340 A344	F334-K338 HydrophobicContact CD1-CD 4.38Å; F334-K338 HydrophobicContact CE1-CD 3.89Å; F334-K338 VanDerWaalsContact O-CB 3.29Å; F334-K338 WeakPolarHBondContact O-CB 3.32Å; F334-K338 PolarHBondContact O-N 2.94Å; E335-K338 VanDerWaalsContact OE1-CD 3.3Å; E335-K338 WeakPolarHBondContact OE1-CD 3.46Å; E335-K338 IonicContact OE1-NZ 3.1Å; E335-K338 PolarHBondContact OE1-NZ 3.31Å; E335-K338 WeakPolarHBondContact OE2-CD 3.4Å; E335-K338 IonicContact OE2-NZ 2.75Å; E335-K338 PolarHBondContact OE2-NZ 2.77Å; K338-K340 VanDerWaalsContact C-N 3.27Å; K338-A344 WeakPolarHBondContact O-CB 3.09Å
339	K	92.3	Very high	92.3	Very high	175 Å²	175	72.8 Å²	72.8	76%	0.761	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.1	169	-62.3	167	-171.5	174.5	0	112.9	E335 E336 L337	E335-K339 WeakPolarHBondContact O-CE 3.27Å; E336-K339 WeakPolarHBondContact O-CB 3.23Å; E336-K339 PolarHBondContact O-N 2.64Å; L337-K339 PolarHBondContact O-N 3.17Å; L337-K339 VanDerWaalsContact O-N 3.14Å
340	K	94.1	Very high	92.6	Very high	113 Å²	113	66 Å²	66	49%	0.491	30%	0.302	S	S	.	.	S	Bend	trans	-91.1	119.1	178.3	-58.3	-177.7	176.5	-172.5	0	110.5	L337 K338 K342 F343 A344	L337-K340 HydrophobicContact CD2-CD 4.27Å; L337-K340 VanDerWaalsContact O-CB 3.27Å; L337-K340 WeakPolarHBondContact O-CB 3.44Å; L337-K340 PolarHBondContact O-N 3.35Å; K338-K340 VanDerWaalsContact C-N 3.27Å; K340-K342 PolarHBondContact O-N 2.63Å; K340-F343 HydrophobicContact CB-CB 4.37Å; K340-F343 PolarHBondContact O-N 2.85Å; K340-A344 PolarHBondContact O-N 2.97Å
341	K	93.3	Very high	92.8	Very high	163 Å²	163	68.2 Å²	68.2	71%	0.709	31%	0.312	S	S	*	.	H	α-helix	trans	-44.3	-56.3	-176.3	-177.7	170.6	180	179.7	0	114.3	F343 A344 D345	K341-F343 VanDerWaalsContact C-N 3.32Å; K341-F343 PolarHBondContact O-N 3.15Å; K341-A344 PolarHBondContact O-N 3.35Å; K341-A344 VanDerWaalsContact O-N 3.14Å; K341-D345 WeakPolarHBondContact CE-OD2 3.26Å; K341-D345 WeakPolarHBondContact CG-OD2 3.46Å; K341-D345 WeakPolarHBondContact O-CB 3.46Å; K341-D345 VanDerWaalsContact O-CG 3.26Å; K341-D345 PolarHBondContact O-N 2.87Å
342	K	92	Very high	93.1	Very high	167 Å²	167	74.4 Å²	74.4	73%	0.726	34%	0.336	S	S	*	.	H	α-helix	trans	-54.8	-42.6	-179.6	-71.7	-169.4	173.6	-168.7	0	113.6	L265 K340 V346	L265-K342 HydrophobicContact CD2-CB 3.99Å; K340-K342 PolarHBondContact O-N 2.63Å; K342-V346 WeakPolarHBondContact O-CG2 3.43Å; K342-V346 PolarHBondContact O-N 3.26Å
343	F	95.4	Very high	93.1	Very high	4 Å²	4	70.5 Å²	70.5	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-71.2	-43.1	178.6	-177.5	-83.4	0	0	0	110.9	F256 L260 I266 L274 F334 L337 K340 K341 D345 V346 V347	F256-F343 HydrophobicContact CZ-CE2 4.23Å; F256-F343 AromaticContact CZ-CZ 3.9Å; F256-F343 HydrophobicContact CZ-CZ 3.9Å; L260-F343 HydrophobicContact CD2-CD2 3.86Å; L260-F343 HydrophobicContact CD2-CE2 3.52Å; I266-F343 HydrophobicContact CD1-CE2 4.49Å; L274-F343 HydrophobicContact CD2-CE2 4.22Å; L274-F343 HydrophobicContact CD2-CZ 4.1Å; F334-F343 HydrophobicContact CD2-CE1 4.14Å; F334-F343 HydrophobicContact CD2-CZ 4.03Å; F334-F343 HydrophobicContact CE2-CE1 4.09Å; F334-F343 HydrophobicContact CE2-CZ 4.2Å; L337-F343 VanDerWaalsContact C-CD1 3.45Å; L337-F343 HydrophobicContact CB-CD1 3.78Å; L337-F343 HydrophobicContact CB-CD2 3.99Å; L337-F343 HydrophobicContact CB-CE1 3.59Å; L337-F343 HydrophobicContact CB-CE2 3.81Å; L337-F343 HydrophobicContact CB-CG 3.96Å; L337-F343 HydrophobicContact CB-CZ 3.6Å; L337-F343 HydrophobicContact CD1-CD2 4.43Å; L337-F343 HydrophobicContact CD1-CE2 3.78Å; L337-F343 HydrophobicContact CD1-CZ 3.97Å; L337-F343 HydrophobicContact CG-CE2 4.38Å; L337-F343 HydrophobicContact CG-CZ 4.46Å; L337-F343 WeakPolarHBondContact O-CD1 3.15Å; K340-F343 HydrophobicContact CB-CB 4.37Å; K340-F343 PolarHBondContact O-N 2.85Å; K341-F343 VanDerWaalsContact C-N 3.32Å; K341-F343 PolarHBondContact O-N 3.15Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 2.84Å; F343-V346 PolarHBondContact O-N 3.48Å; F343-V347 HydrophobicContact CD1-CG2 3.9Å; F343-V347 HydrophobicContact CE1-CG2 3.72Å; F343-V347 HydrophobicContact CZ-CG2 4.36Å; F343-V347 WeakPolarHBondContact O-CB 3.37Å; F343-V347 VanDerWaalsContact O-CG2 3.29Å; F343-V347 WeakPolarHBondContact O-CG2 3.18Å; F343-V347 PolarHBondContact O-N 3.48Å
344	A	94.4	Very high	92.8	Very high	13 Å²	13	73.6 Å²	73.6	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-37.8	176.9	0	0	0	0	0	112.9	K338 K340 K341 V347 K348	K338-A344 WeakPolarHBondContact O-CB 3.09Å; K340-A344 PolarHBondContact O-N 2.97Å; K341-A344 PolarHBondContact O-N 3.35Å; K341-A344 VanDerWaalsContact O-N 3.14Å; A344-V347 PolarHBondContact O-N 3.43Å; A344-K348 VanDerWaalsContact O-CG 3.24Å; A344-K348 WeakPolarHBondContact O-CG 3.21Å; A344-K348 PolarHBondContact O-N 2.75Å
345	D	94.6	Very high	92.2	Very high	54 Å²	54	78 Å²	78	29%	0.289	37%	0.369	S	S	.	.	H	α-helix	trans	-72.2	-38.8	-179.2	-65.7	-24.3	0	0	0	111.2	K341 F343 K348 E349	K341-D345 WeakPolarHBondContact CE-OD2 3.26Å; K341-D345 WeakPolarHBondContact CG-OD2 3.46Å; K341-D345 WeakPolarHBondContact O-CB 3.46Å; K341-D345 VanDerWaalsContact O-CG 3.26Å; K341-D345 PolarHBondContact O-N 2.87Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 2.84Å; D345-K348 PolarHBondContact O-N 3.04Å; D345-K348 IonicContact OD1-NZ 3Å; D345-K348 PolarHBondContact OD1-NZ 3.37Å; D345-E349 PolarHBondContact O-N 3.43Å; D345-E349 VanDerWaalsContact O-N 3.08Å
346	V	94.3	Very high	91.8	Very high	7 Å²	7	74 Å²	74	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-67.8	-37.7	171.8	172.3	0	0	0	0	112.5	R259 E263 L265 K342 F343 E349 I350	R259-V346 HydrophobicContact CB-CG1 4.02Å; E263-V346 VanDerWaalsContact OE2-CG2 3.25Å; E263-V346 WeakPolarHBondContact OE2-CG2 3.36Å; L265-V346 HydrophobicContact CD1-CB 4.01Å; L265-V346 HydrophobicContact CD1-CG1 4.07Å; L265-V346 HydrophobicContact CD1-CG2 3.93Å; K342-V346 WeakPolarHBondContact O-CG2 3.43Å; K342-V346 PolarHBondContact O-N 3.26Å; F343-V346 PolarHBondContact O-N 3.48Å; V346-E349 PolarHBondContact O-N 2.76Å; V346-I350 HydrophobicContact CG1-CD1 4.11Å; V346-I350 WeakPolarHBondContact O-CG1 3.43Å; V346-I350 PolarHBondContact O-N 2.79Å; V346-I350 VanDerWaalsContact O-N 3.13Å
347	V	94.1	Very high	91.1	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-47.5	171.5	166.1	0	0	0	0	110.6	F256 F334 F343 A344 E349 I350 E351 L361	F256-V347 HydrophobicContact CE2-CG2 4.18Å; F256-V347 HydrophobicContact CZ-CG2 4.4Å; F334-V347 HydrophobicContact CE2-CG2 4.09Å; F334-V347 HydrophobicContact CZ-CG1 4.05Å; F334-V347 HydrophobicContact CZ-CG2 4.15Å; F343-V347 HydrophobicContact CD1-CG2 3.9Å; F343-V347 HydrophobicContact CE1-CG2 3.72Å; F343-V347 HydrophobicContact CZ-CG2 4.36Å; F343-V347 WeakPolarHBondContact O-CB 3.37Å; F343-V347 VanDerWaalsContact O-CG2 3.29Å; F343-V347 WeakPolarHBondContact O-CG2 3.18Å; F343-V347 PolarHBondContact O-N 3.48Å; A344-V347 PolarHBondContact O-N 3.43Å; V347-E349 VanDerWaalsContact C-N 3.26Å; V347-E349 PolarHBondContact O-N 2.82Å; V347-I350 PolarHBondContact O-N 2.73Å; V347-I350 VanDerWaalsContact O-N 3.14Å; V347-E351 HydrophobicContact CG1-CG 4.19Å; V347-E351 WeakPolarHBondContact CG1-OE1 3.36Å; V347-E351 WeakPolarHBondContact O-CB 3.37Å; V347-E351 VanDerWaalsContact O-CG 3.27Å; V347-E351 WeakPolarHBondContact O-CG 3.42Å; V347-E351 PolarHBondContact O-N 3.1Å; V347-L361 HydrophobicContact CG1-CB 4.11Å; V347-L361 HydrophobicContact CG1-CD2 4.41Å; V347-L361 HydrophobicContact CG2-CD2 4.29Å
348	K	93.4	Very high	90.2	Very high	105 Å²	105	77.2 Å²	77.2	46%	0.457	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-24.1	176.2	-70.1	166.6	-165.3	160.5	0	114.5	A344 D345 K352	A344-K348 VanDerWaalsContact O-CG 3.24Å; A344-K348 WeakPolarHBondContact O-CG 3.21Å; A344-K348 PolarHBondContact O-N 2.75Å; D345-K348 PolarHBondContact O-N 3.04Å; D345-K348 IonicContact OD1-NZ 3Å; D345-K348 PolarHBondContact OD1-NZ 3.37Å; K348-K352 WeakPolarHBondContact O-CD 3.44Å; K348-K352 WeakPolarHBondContact O-CE 3.42Å; K348-K352 WeakPolarHBondContact O-CG 3.28Å
349	E	93.3	Very high	89.5	Confident	93 Å²	93	77.9 Å²	77.9	44%	0.435	39%	0.39	S	S	.	.	H	α-helix	trans	-74.1	-41.8	172.4	-76.4	180	-172.8	0	0	111.5	R259 D345 V346 V347 K352	R259-E349 IonicContact CZ-OE2 3.3Å; R259-E349 IonicContact NH1-OE2 2.68Å; R259-E349 PolarHBondContact NH1-OE2 3.34Å; R259-E349 IonicContact NH2-OE2 3.12Å; R259-E349 PolarHBondContact NH2-OE2 2.94Å; D345-E349 PolarHBondContact O-N 3.43Å; D345-E349 VanDerWaalsContact O-N 3.08Å; V346-E349 PolarHBondContact O-N 2.76Å; V347-E349 VanDerWaalsContact C-N 3.26Å; V347-E349 PolarHBondContact O-N 2.82Å; E349-K352 PolarHBondContact O-N 3.41Å
350	I	92.7	Very high	89	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.2	-40.3	177.1	-63.8	166	0	0	0	110.1	L251 F256 R259 V346 V347 K352 Q353 C356 L361	L251-I350 HydrophobicContact CD1-CG2 3.67Å; F256-I350 HydrophobicContact CB-CD1 4.13Å; F256-I350 HydrophobicContact CD2-CD1 3.49Å; F256-I350 VanDerWaalsContact CD2-CD1 3.49Å; F256-I350 HydrophobicContact CE2-CD1 4.31Å; F256-I350 HydrophobicContact CG-CD1 4.2Å; R259-I350 HydrophobicContact CB-CD1 4.33Å; R259-I350 HydrophobicContact CG-CD1 4.14Å; V346-I350 HydrophobicContact CG1-CD1 4.11Å; V346-I350 WeakPolarHBondContact O-CG1 3.43Å; V346-I350 PolarHBondContact O-N 2.79Å; V346-I350 VanDerWaalsContact O-N 3.13Å; V347-I350 PolarHBondContact O-N 2.73Å; V347-I350 VanDerWaalsContact O-N 3.14Å; I350-K352 PolarHBondContact O-N 2.79Å; I350-Q353 VanDerWaalsContact O-CB 3.27Å; I350-Q353 WeakPolarHBondContact O-CB 3.43Å; I350-Q353 WeakPolarHBondContact O-CG 3.17Å; I350-Q353 PolarHBondContact O-N 3.28Å; I350-C356 PolarHBondContact O-SG 2.88Å; I350-L361 HydrophobicContact CB-CD2 4.33Å; I350-L361 HydrophobicContact CD1-CD2 4.35Å; I350-L361 HydrophobicContact CG2-CD1 3.98Å; I350-L361 HydrophobicContact CG2-CD2 4Å
351	E	92.5	Very high	88.7	Confident	47 Å²	47	66.6 Å²	66.6	22%	0.22	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.7	176.5	-72.9	171.8	160.1	0	0	114.2	V347 P360 L361	V347-E351 HydrophobicContact CG1-CG 4.19Å; V347-E351 WeakPolarHBondContact CG1-OE1 3.36Å; V347-E351 WeakPolarHBondContact O-CB 3.37Å; V347-E351 VanDerWaalsContact O-CG 3.27Å; V347-E351 WeakPolarHBondContact O-CG 3.42Å; V347-E351 PolarHBondContact O-N 3.1Å; E351-P360 WeakPolarHBondContact OE1-CA 3.26Å; E351-P360 WeakPolarHBondContact OE1-CB 3.01Å; E351-L361 HydrophobicContact CG-CB 3.92Å; E351-L361 PolarHBondContact OE1-N 3.07Å
352	K	91.8	Very high	88.1	Confident	170 Å²	170	59.6 Å²	59.6	74%	0.739	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.9	173.1	-65.9	165.4	-171	173.8	0	114.1	K348 E349 I350	K348-K352 WeakPolarHBondContact O-CD 3.44Å; K348-K352 WeakPolarHBondContact O-CE 3.42Å; K348-K352 WeakPolarHBondContact O-CG 3.28Å; E349-K352 PolarHBondContact O-N 3.41Å; I350-K352 PolarHBondContact O-N 2.79Å
353	Q	89.7	Confident	87.5	Confident	67 Å²	67	57.1 Å²	57.1	31%	0.313	31%	0.312	S	S	.	.	S	Bend	trans	-71.7	146.1	178.3	-63.1	-176.2	-35.1	0	0	110.1	I350 E355 C356	I350-Q353 VanDerWaalsContact O-CB 3.27Å; I350-Q353 WeakPolarHBondContact O-CB 3.43Å; I350-Q353 WeakPolarHBondContact O-CG 3.17Å; I350-Q353 PolarHBondContact O-N 3.28Å; Q353-E355 PolarHBondContact O-N 2.75Å; Q353-C356 WeakPolarHBondContact O-CB 3.12Å; Q353-C356 PolarHBondContact O-N 2.7Å
354	A	86.5	Confident	87.1	Confident	87 Å²	87	57 Å²	57	72%	0.719	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-60.5	-33.5	-177.4	0	0	0	0	0	111.6	C356 E357	A354-C356 PolarHBondContact O-N 2.95Å; A354-E357 PolarHBondContact O-N 3.09Å
355	E	82.1	Confident	86.7	Confident	92 Å²	92	56.4 Å²	56.4	43%	0.43	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-59.5	-22.9	175.7	-61.2	93.5	141.4	0	0	113.6	K248 L251 Q353 E357	K248-E355 PolarHBondContact NZ-O 2.94Å; L251-E355 HydrophobicContact CD1-CB 4.35Å; Q353-E355 PolarHBondContact O-N 2.75Å; E355-E357 VanDerWaalsContact C-N 3.34Å
356	C	82.4	Confident	86.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-78	-14.1	172.7	-75.4	0	0	0	0	113.8	I350 Q353 A354 G358 L359 H364	I350-C356 PolarHBondContact O-SG 2.88Å; Q353-C356 WeakPolarHBondContact O-CB 3.12Å; Q353-C356 PolarHBondContact O-N 2.7Å; A354-C356 PolarHBondContact O-N 2.95Å; C356-G358 PolarHBondContact O-N 3.37Å; C356-G358 VanDerWaalsContact O-N 3.1Å; C356-L359 PolarHBondContact O-N 3.4Å; C356-H364 PolarHBondContact O-CE1 2.67Å; C356-H364 PolarHBondContact O-NE2 2.92Å
357	E	78.9	Confident	85.6	Confident	122 Å²	122	56.8 Å²	56.8	57%	0.57	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	27.5	-177.9	-74.1	157.1	-156.2	0	0	114.1	K248 A354 E355 L359	K248-E357 WeakPolarHBondContact CE-OE2 3.1Å; K248-E357 IonicContact NZ-OE1 3.59Å; K248-E357 PolarHBondContact NZ-OE1 3.45Å; K248-E357 IonicContact NZ-OE2 3.59Å; K248-E357 PolarHBondContact NZ-OE2 3.18Å; A354-E357 PolarHBondContact O-N 3.09Å; E355-E357 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 3.32Å
358	G	75.4	Confident	85.4	Confident	70 Å²	70	56.8 Å²	56.8	72%	0.722	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	4.4	-175.8	0	0	0	0	0	115	C356	C356-G358 PolarHBondContact O-N 3.37Å; C356-G358 VanDerWaalsContact O-N 3.1Å
359	L	75.9	Confident	84.8	Confident	84 Å²	84	53 Å²	53	44%	0.44	30%	0.295	S	S	.	.			trans	-88.2	136.1	175.8	-62.8	177	0	0	0	111	C356 E357	C356-L359 PolarHBondContact O-N 3.4Å; E357-L359 PolarHBondContact O-N 3.32Å
360	P	83.2	Confident	84	Confident	52 Å²	52	52.9 Å²	52.9	34%	0.338	29%	0.294	S	S	.	.			trans	-57.5	142.2	175.4	-23.8	31.2	0	0	0	112.3	E351 G362 H363	E351-P360 WeakPolarHBondContact OE1-CA 3.26Å; E351-P360 WeakPolarHBondContact OE1-CB 3.01Å; P360-G362 PolarHBondContact O-N 2.8Å; P360-H363 WeakPolarHBondContact CD-ND1 3.43Å; P360-H363 WeakPolarHBondContact O-CB 3.38Å; P360-H363 PolarHBondContact O-N 2.88Å; P360-H363 PolarHBondContact O-ND1 3.27Å
361	L	87.5	Confident	83.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.6	-30.4	-165	-174	61.2	0	0	0	113.6	L251 L252 F256 F334 V347 I350 E351 H363 H364	L251-L361 HydrophobicContact CD2-CD1 4.12Å; L251-L361 HydrophobicContact CG-CD1 4.16Å; L252-L361 HydrophobicContact CD2-CD1 3.93Å; L252-L361 HydrophobicContact CD2-CG 4.44Å; F256-L361 HydrophobicContact CB-CD2 4.5Å; F256-L361 HydrophobicContact CD1-CD2 3.99Å; F256-L361 HydrophobicContact CD2-CD2 3.85Å; F256-L361 HydrophobicContact CE1-CD2 4.06Å; F256-L361 HydrophobicContact CE2-CD2 3.91Å; F256-L361 HydrophobicContact CG-CD2 3.87Å; F256-L361 HydrophobicContact CZ-CD2 4.02Å; F334-L361 HydrophobicContact CE2-CD2 4.44Å; F334-L361 HydrophobicContact CZ-CB 4.13Å; F334-L361 HydrophobicContact CZ-CG 4.5Å; V347-L361 HydrophobicContact CG1-CB 4.11Å; V347-L361 HydrophobicContact CG1-CD2 4.41Å; V347-L361 HydrophobicContact CG2-CD2 4.29Å; I350-L361 HydrophobicContact CB-CD2 4.33Å; I350-L361 HydrophobicContact CD1-CD2 4.35Å; I350-L361 HydrophobicContact CG2-CD1 3.98Å; I350-L361 HydrophobicContact CG2-CD2 4Å; E351-L361 HydrophobicContact CG-CB 3.92Å; E351-L361 PolarHBondContact OE1-N 3.07Å; L361-H363 VanDerWaalsContact C-N 3.25Å; L361-H363 PolarHBondContact O-N 3.12Å; L361-H364 PolarHBondContact O-N 2.68Å; L361-H364 VanDerWaalsContact O-N 3.12Å
362	G	80.6	Confident	83.5	Confident	16 Å²	16	51.4 Å²	51.4	17%	0.165	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.7	173.8	0	0	0	0	0	114.1	P360 H364 L365	P360-G362 PolarHBondContact O-N 2.8Å; G362-H364 VanDerWaalsContact C-N 3.26Å; G362-H364 PolarHBondContact O-N 2.84Å; G362-L365 WeakPolarHBondContact O-CB 3.37Å; G362-L365 PolarHBondContact O-N 3.2Å
363	H	79	Confident	82.6	Confident	114 Å²	114	47.8 Å²	47.8	53%	0.528	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-71	-19	175.9	-65.8	96.2	0	0	0	113.1	P360 L361 L365 I366	P360-H363 WeakPolarHBondContact CD-ND1 3.43Å; P360-H363 WeakPolarHBondContact O-CB 3.38Å; P360-H363 PolarHBondContact O-N 2.88Å; P360-H363 PolarHBondContact O-ND1 3.27Å; L361-H363 VanDerWaalsContact C-N 3.25Å; L361-H363 PolarHBondContact O-N 3.12Å; H363-L365 VanDerWaalsContact C-N 3.32Å; H363-I366 WeakPolarHBondContact O-CG2 3.35Å
364	H	86.3	Confident	82.1	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-79.1	-18.3	174.1	-61.4	-60.9	0	0	0	112	L252 C356 L361 G362 I366 C367	L252-H364 HydrophobicContact CD1-CB 4.14Å; L252-H364 WeakPolarHBondContact CD1-O 3.43Å; L252-H364 HydrophobicContact CD2-CB 4.3Å; L252-H364 HydrophobicContact CG-CB 4.35Å; C356-H364 PolarHBondContact O-CE1 2.67Å; C356-H364 PolarHBondContact O-NE2 2.92Å; L361-H364 PolarHBondContact O-N 2.68Å; L361-H364 VanDerWaalsContact O-N 3.12Å; G362-H364 VanDerWaalsContact C-N 3.26Å; G362-H364 PolarHBondContact O-N 2.84Å; H364-I366 VanDerWaalsContact C-N 3.29Å; H364-I366 PolarHBondContact O-N 2.88Å; H364-C367 VanDerWaalsContact O-CB 3.28Å; H364-C367 WeakPolarHBondContact O-CB 3.24Å; H364-C367 PolarHBondContact O-N 2.88Å; H364-C367 VanDerWaalsContact O-N 3.14Å; H364-C367 PolarHBondContact O-SG 2.91Å
365	L	87.6	Confident	82.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.2	179	-61	175.3	0	0	0	113.2	L252 Y323 Y327 F334 G362 H363 C367 P368	L252-L365 HydrophobicContact CD1-CD2 4.24Å; L252-L365 HydrophobicContact CD2-CD2 3.91Å; Y323-L365 WeakPolarHBondContact CE1-O 3.44Å; Y323-L365 PolarHBondContact OH-O 2.79Å; Y327-L365 WeakPolarHBondContact CD2-O 3.48Å; Y327-L365 HydrophobicContact CE2-CB 4.05Å; Y327-L365 WeakPolarHBondContact CE2-O 3.37Å; F334-L365 HydrophobicContact CB-CD1 4.04Å; F334-L365 HydrophobicContact CD1-CD1 4.46Å; F334-L365 HydrophobicContact CD2-CD1 4.2Å; F334-L365 HydrophobicContact CG-CD1 3.99Å; G362-L365 WeakPolarHBondContact O-CB 3.37Å; G362-L365 PolarHBondContact O-N 3.2Å; H363-L365 VanDerWaalsContact C-N 3.32Å; L365-C367 VanDerWaalsContact C-N 3.32Å; L365-P368 WeakPolarHBondContact O-CD 3.49Å
366	I	80.1	Confident	82.2	Confident	43 Å²	43	44.5 Å²	44.5	22%	0.221	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.8	177	-169.7	65.1	0	0	0	112.5	Y327 H363 H364 V369 Q370	Y327-I366 HydrophobicContact CD1-CD1 4.23Å; Y327-I366 HydrophobicContact CD2-CD1 4.47Å; Y327-I366 HydrophobicContact CE1-CD1 3.62Å; Y327-I366 HydrophobicContact CE2-CB 3.95Å; Y327-I366 HydrophobicContact CE2-CD1 3.91Å; Y327-I366 VanDerWaalsContact CZ-CD1 3.45Å; H363-I366 WeakPolarHBondContact O-CG2 3.35Å; H364-I366 VanDerWaalsContact C-N 3.29Å; H364-I366 PolarHBondContact O-N 2.88Å; I366-V369 HydrophobicContact CD1-CB 3.8Å; I366-V369 HydrophobicContact CD1-CG1 4.2Å; I366-V369 HydrophobicContact CD1-CG2 3.99Å; I366-V369 WeakPolarHBondContact O-CB 3.32Å; I366-V369 PolarHBondContact O-N 3.39Å; I366-V369 VanDerWaalsContact O-N 3.08Å; I366-Q370 HydrophobicContact CG1-CG 4.06Å; I366-Q370 PolarHBondContact O-N 2.9Å
367	C	84.1	Confident	81.9	Confident	26 Å²	26	48.9 Å²	48.9	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-39.6	-172.9	-65.6	0	0	0	0	114.5	Y245 H364 L365 Q370 R371	Y245-C367 HydrophobicContact CE2-CB 4.45Å; H364-C367 VanDerWaalsContact O-CB 3.28Å; H364-C367 WeakPolarHBondContact O-CB 3.24Å; H364-C367 PolarHBondContact O-N 2.88Å; H364-C367 VanDerWaalsContact O-N 3.14Å; H364-C367 PolarHBondContact O-SG 2.91Å; L365-C367 VanDerWaalsContact C-N 3.32Å; C367-Q370 PolarHBondContact O-N 2.8Å; C367-R371 WeakPolarHBondContact O-CB 3.43Å; C367-R371 PolarHBondContact O-N 3.41Å
368	P	89.7	Confident	82.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-40.9	175.1	-22.5	34.9	0	0	0	112.9	Y245 L249 L281 Y320 Y323 L365 Q370 R371 V372	Y245-P368 HydrophobicContact CE2-CB 4.5Å; Y245-P368 HydrophobicContact CE2-CG 4.41Å; Y245-P368 WeakPolarHBondContact OH-CA 3.16Å; L249-P368 HydrophobicContact CD2-CG 4.27Å; L281-P368 HydrophobicContact CD1-CB 4.26Å; Y320-P368 HydrophobicContact CD1-CB 4.18Å; Y320-P368 WeakPolarHBondContact CD1-O 3.09Å; Y320-P368 HydrophobicContact CE1-CB 3.89Å; Y320-P368 WeakPolarHBondContact CE1-O 3.12Å; Y323-P368 HydrophobicContact CD1-CB 3.68Å; Y323-P368 HydrophobicContact CD1-CG 4.07Å; Y323-P368 HydrophobicContact CE1-CB 3.84Å; Y323-P368 HydrophobicContact CE1-CG 3.75Å; Y323-P368 HydrophobicContact CG-CB 4.32Å; L365-P368 WeakPolarHBondContact O-CD 3.49Å; P368-Q370 VanDerWaalsContact C-N 3.3Å; P368-Q370 PolarHBondContact O-N 2.83Å; P368-R371 PolarHBondContact O-N 2.71Å; P368-V372 PolarHBondContact O-N 3.44Å
369	V	81.6	Confident	82.8	Confident	27 Å²	27	40.9 Å²	40.9	16%	0.164	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176.6	-169.9	0	0	0	0	110.3	Y323 T324 Y327 I366 V372	Y323-V369 HydrophobicContact CD1-CG2 4.15Å; Y323-V369 HydrophobicContact CE1-CG2 4.11Å; T324-V369 HydrophobicContact CG2-CG1 4.28Å; T324-V369 HydrophobicContact CG2-CG2 4.3Å; Y327-V369 HydrophobicContact CD1-CG2 4.43Å; Y327-V369 HydrophobicContact CD2-CG2 4.05Å; Y327-V369 HydrophobicContact CG-CG2 3.89Å; I366-V369 HydrophobicContact CD1-CB 3.8Å; I366-V369 HydrophobicContact CD1-CG1 4.2Å; I366-V369 HydrophobicContact CD1-CG2 3.99Å; I366-V369 WeakPolarHBondContact O-CB 3.32Å; I366-V369 PolarHBondContact O-N 3.39Å; I366-V369 VanDerWaalsContact O-N 3.08Å; V369-V372 WeakPolarHBondContact O-CG1 3.31Å
370	Q	77.4	Confident	83.3	Confident	90 Å²	90	41 Å²	41	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-67.3	-41.3	174.8	-71.9	168.4	-2.2	0	0	112.6	I366 C367 P368 M373 R374	I366-Q370 HydrophobicContact CG1-CG 4.06Å; I366-Q370 PolarHBondContact O-N 2.9Å; C367-Q370 PolarHBondContact O-N 2.8Å; P368-Q370 VanDerWaalsContact C-N 3.3Å; P368-Q370 PolarHBondContact O-N 2.83Å; Q370-M373 PolarHBondContact O-N 2.8Å; Q370-R374 VanDerWaalsContact O-CG 3.28Å; Q370-R374 WeakPolarHBondContact O-CG 3.41Å; Q370-R374 PolarHBondContact O-N 2.95Å
371	R	89.7	Confident	83.4	Confident	11 Å²	11	42.2 Å²	42.2	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-46.3	-174.1	-171.1	75.4	-178	153.6	6	112.1	L238 S241 E242 Y245 C367 P368 M373 R374 Y375	L238-R371 PolarHBondContact O-NH2 3.29Å; S241-R371 VanDerWaalsContact CB-NH1 3.31Å; S241-R371 PolarHBondContact O-NH1 2.89Å; S241-R371 PolarHBondContact OG-NH1 2.98Å; S241-R371 PolarHBondContact OG-NH2 3.27Å; E242-R371 VanDerWaalsContact CA-NH2 3.29Å; E242-R371 IonicContact OE2-CZ 2.84Å; E242-R371 IonicContact OE2-NE 2.97Å; E242-R371 PolarHBondContact OE2-NE 2.99Å; E242-R371 IonicContact OE2-NH2 3.94Å; E242-R371 PolarHBondContact OE2-NH2 3.34Å; Y245-R371 HydrophobicContact CD1-CB 4.32Å; Y245-R371 HydrophobicContact CD1-CG 3.59Å; Y245-R371 HydrophobicContact CD2-CB 3.8Å; Y245-R371 HydrophobicContact CD2-CG 3.88Å; Y245-R371 HydrophobicContact CE1-CB 4.09Å; Y245-R371 HydrophobicContact CE1-CG 3.62Å; Y245-R371 HydrophobicContact CE2-CB 3.55Å; Y245-R371 HydrophobicContact CE2-CG 3.93Å; Y245-R371 HydrophobicContact CG-CB 4.18Å; Y245-R371 HydrophobicContact CG-CG 3.71Å; C367-R371 WeakPolarHBondContact O-CB 3.43Å; C367-R371 PolarHBondContact O-N 3.41Å; P368-R371 PolarHBondContact O-N 2.71Å; R371-M373 PolarHBondContact O-N 2.85Å; R371-R374 PolarHBondContact O-N 3.42Å; R371-Y375 HydrophobicContact CG-CE1 4.33Å; R371-Y375 HydrophobicContact CG-CE2 3.73Å; R371-Y375 WeakPolarHBondContact CG-OH 3.31Å; R371-Y375 PolarHBondContact NE-OH 3.06Å; R371-Y375 VanDerWaalsContact O-CD2 3.31Å; R371-Y375 WeakPolarHBondContact O-CD2 3.33Å; R371-Y375 PolarHBondContact O-N 2.59Å
372	V	84.1	Confident	83.7	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.024	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-34.8	179.8	65.7	0	0	0	0	112	Y320 P368 V369	Y320-V372 HydrophobicContact CD1-CB 3.72Å; Y320-V372 HydrophobicContact CD1-CG1 3.99Å; Y320-V372 HydrophobicContact CD1-CG2 4.49Å; Y320-V372 HydrophobicContact CD2-CB 4.34Å; Y320-V372 HydrophobicContact CD2-CG2 4.37Å; Y320-V372 HydrophobicContact CE1-CB 3.96Å; Y320-V372 HydrophobicContact CG-CB 3.89Å; Y320-V372 HydrophobicContact CG-CG1 4.34Å; Y320-V372 HydrophobicContact CG-CG2 4.15Å; P368-V372 PolarHBondContact O-N 3.44Å; V369-V372 WeakPolarHBondContact O-CG1 3.31Å
373	M	73.9	Confident	84.3	Confident	95 Å²	95	44.2 Å²	44.2	47%	0.468	21%	0.209	S	C	.	.	H	α-helix	trans	-72.8	-36.7	173.1	-61.5	178.7	70.8	0	0	112.8	Q370 R371 Y375 Q376	Q370-M373 PolarHBondContact O-N 2.8Å; R371-M373 PolarHBondContact O-N 2.85Å; M373-Y375 VanDerWaalsContact C-N 3.35Å; M373-Y375 PolarHBondContact O-N 3.06Å; M373-Q376 WeakPolarHBondContact O-CG 3.37Å; M373-Q376 PolarHBondContact O-N 3.17Å
374	R	78.4	Confident	84.9	Confident	127 Å²	127	45.4 Å²	45.4	48%	0.479	21%	0.213	S	C	.	.	H	α-helix	trans	-69.2	-26.2	-176.7	-74.8	176	83.5	102	1.4	113.9	Q370 R371 Q376 L377 L378	Q370-R374 VanDerWaalsContact O-CG 3.28Å; Q370-R374 WeakPolarHBondContact O-CG 3.41Å; Q370-R374 PolarHBondContact O-N 2.95Å; R371-R374 PolarHBondContact O-N 3.42Å; R374-Q376 PolarHBondContact O-N 3.07Å; R374-L377 PolarHBondContact O-N 3.2Å; R374-L377 VanDerWaalsContact O-N 3.1Å; R374-L378 WeakPolarHBondContact O-CG 3.4Å; R374-L378 PolarHBondContact O-N 2.82Å
375	Y	89.6	Confident	85.3	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-35.6	176.2	-67.7	-56.4	0	0	0	112.9	L238 E242 H285 F289 L317 R371 M373 L377 L378 L379	L238-Y375 HydrophobicContact CD1-CD1 4.12Å; L238-Y375 HydrophobicContact CD1-CE1 4.38Å; E242-Y375 PolarHBondContact OE1-OH 3.47Å; E242-Y375 WeakPolarHBondContact OE2-CE1 2.97Å; E242-Y375 PolarHBondContact OE2-OH 2.89Å; H285-Y375 PolarHBondContact CE1-OH 3.08Å; H285-Y375 PolarHBondContact ND1-OH 3.07Å; F289-Y375 HydrophobicContact CE1-CD1 4.5Å; F289-Y375 AromaticContact CE1-CE1 3.7Å; F289-Y375 HydrophobicContact CE1-CE1 3.7Å; F289-Y375 AromaticContact CE1-CZ 3.8Å; F289-Y375 HydrophobicContact CZ-CE1 4.32Å; L317-Y375 HydrophobicContact CD1-CD2 3.88Å; L317-Y375 HydrophobicContact CD1-CE2 4.21Å; L317-Y375 HydrophobicContact CD2-CD2 4.33Å; L317-Y375 HydrophobicContact CD2-CE2 3.82Å; R371-Y375 HydrophobicContact CG-CE1 4.33Å; R371-Y375 HydrophobicContact CG-CE2 3.73Å; R371-Y375 WeakPolarHBondContact CG-OH 3.31Å; R371-Y375 PolarHBondContact NE-OH 3.06Å; R371-Y375 VanDerWaalsContact O-CD2 3.31Å; R371-Y375 WeakPolarHBondContact O-CD2 3.33Å; R371-Y375 PolarHBondContact O-N 2.59Å; M373-Y375 VanDerWaalsContact C-N 3.35Å; M373-Y375 PolarHBondContact O-N 3.06Å; Y375-L377 VanDerWaalsContact C-N 3.32Å; Y375-L377 PolarHBondContact O-N 3.12Å; Y375-L378 PolarHBondContact O-N 2.98Å; Y375-L379 WeakPolarHBondContact O-CB 3.37Å; Y375-L379 WeakPolarHBondContact O-CG 3.29Å; Y375-L379 PolarHBondContact O-N 3.27Å
376	Q	81.6	Confident	85.6	Confident	48 Å²	48	46.9 Å²	46.9	22%	0.224	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-38.9	178.7	89.4	-165.6	12.1	0	0	111.2	M373 R374 Q380 L400 V403 L404	M373-Q376 WeakPolarHBondContact O-CG 3.37Å; M373-Q376 PolarHBondContact O-N 3.17Å; R374-Q376 PolarHBondContact O-N 3.07Å; Q376-Q380 VanDerWaalsContact O-CB 3.3Å; Q376-Q380 WeakPolarHBondContact O-CB 3.5Å; Q376-Q380 WeakPolarHBondContact O-CG 3.49Å; Q376-Q380 PolarHBondContact O-N 3.39Å; Q376-L400 HydrophobicContact CB-CD1 3.95Å; Q376-V403 HydrophobicContact CB-CG1 4.04Å; Q376-L404 HydrophobicContact CB-CD2 4.22Å
377	L	75.1	Confident	86.2	Confident	93 Å²	93	48.9 Å²	48.9	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-71.4	-41.4	-179	-55.1	178.3	0	0	0	111.1	R374 Y375 Q380 E381	R374-L377 PolarHBondContact O-N 3.2Å; R374-L377 VanDerWaalsContact O-N 3.1Å; Y375-L377 VanDerWaalsContact C-N 3.32Å; Y375-L377 PolarHBondContact O-N 3.12Å; L377-Q380 PolarHBondContact O-N 3.43Å; L377-E381 PolarHBondContact O-N 2.8Å
378	L	83.9	Confident	86.6	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-43.1	177.2	-68	164.5	0	0	0	111.4	E237 L238 R374 Y375 Y382	E237-L378 HydrophobicContact CG-CD2 4.08Å; L238-L378 HydrophobicContact CB-CB 4.47Å; L238-L378 HydrophobicContact CD1-CB 4.17Å; L238-L378 HydrophobicContact CD1-CD1 3.83Å; R374-L378 WeakPolarHBondContact O-CG 3.4Å; R374-L378 PolarHBondContact O-N 2.82Å; Y375-L378 PolarHBondContact O-N 2.98Å; L378-Y382 WeakPolarHBondContact O-CB 3.05Å; L378-Y382 PolarHBondContact O-N 3.47Å
379	L	90.6	Very high	86.7	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-35.4	174.3	-70.8	173.6	0	0	0	112.8	A307 V310 Y375 K383 T396 A399 L400 V403	A307-L379 HydrophobicContact CB-CD2 4.5Å; V310-L379 HydrophobicContact CB-CD2 4.3Å; V310-L379 HydrophobicContact CG1-CD1 3.99Å; V310-L379 HydrophobicContact CG1-CD2 4.23Å; V310-L379 HydrophobicContact CG1-CG 4.49Å; V310-L379 HydrophobicContact CG2-CD2 4.27Å; Y375-L379 WeakPolarHBondContact O-CB 3.37Å; Y375-L379 WeakPolarHBondContact O-CG 3.29Å; Y375-L379 PolarHBondContact O-N 3.27Å; L379-K383 VanDerWaalsContact O-CB 3.29Å; L379-K383 WeakPolarHBondContact O-CB 3.44Å; L379-K383 PolarHBondContact O-N 2.8Å; L379-T396 HydrophobicContact CB-CG2 4.48Å; L379-T396 HydrophobicContact CD2-CG2 4.29Å; L379-A399 HydrophobicContact CD1-CB 3.88Å; L379-A399 HydrophobicContact CD2-CB 4.22Å; L379-L400 HydrophobicContact CB-CB 4.38Å; L379-L400 HydrophobicContact CB-CD1 4.2Å; L379-L400 HydrophobicContact CD1-CB 4.29Å; L379-V403 HydrophobicContact CD1-CB 4.37Å; L379-V403 HydrophobicContact CD1-CG2 3.86Å
380	Q	84.9	Confident	87.3	Confident	87 Å²	87	56.9 Å²	56.9	41%	0.407	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-47.9	175.2	-79.5	166.5	-11.9	0	0	112	Q376 L377 Y382 K383 K384 L400	Q376-Q380 VanDerWaalsContact O-CB 3.3Å; Q376-Q380 WeakPolarHBondContact O-CB 3.5Å; Q376-Q380 WeakPolarHBondContact O-CG 3.49Å; Q376-Q380 PolarHBondContact O-N 3.39Å; L377-Q380 PolarHBondContact O-N 3.43Å; Q380-Y382 VanDerWaalsContact C-N 3.33Å; Q380-Y382 PolarHBondContact O-N 3.28Å; Q380-K383 PolarHBondContact O-N 2.86Å; Q380-K384 WeakPolarHBondContact O-CB 3.44Å; Q380-K384 PolarHBondContact O-N 3.37Å; Q380-L400 HydrophobicContact CG-CD1 4.01Å; Q380-L400 HydrophobicContact CG-CD2 3.83Å
381	E	85.8	Confident	88.1	Confident	78 Å²	78	56.8 Å²	56.8	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-33	177.5	-172.3	60.4	-150.9	0	0	111.7	A234 L377 K384 H385	A234-E381 HydrophobicContact CB-CG 4.38Å; L377-E381 PolarHBondContact O-N 2.8Å; E381-K384 WeakPolarHBondContact OE1-CD 3.41Å; E381-K384 IonicContact OE1-NZ 3.72Å; E381-K384 PolarHBondContact OE1-NZ 2.84Å; E381-K384 WeakPolarHBondContact OE2-CD 3.02Å; E381-K384 IonicContact OE2-NZ 2.59Å; E381-K384 PolarHBondContact OE2-NZ 3.1Å; E381-H385 PolarHBondContact O-CD2 2.71Å; E381-H385 PolarHBondContact O-NE2 3.36Å; E381-H385 IonicContact OE1-CD2 3.88Å; E381-H385 IonicContact OE1-CE1 2.76Å; E381-H385 PolarHBondContact OE1-CE1 2.91Å; E381-H385 IonicContact OE1-NE2 2.63Å; E381-H385 PolarHBondContact OE1-NE2 2.88Å
382	Y	93.4	Very high	88.3	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-50.7	169.9	-177.4	-116.2	0	0	0	111.7	A231 A234 A235 W300 K304 I306 A307 L378 Q380 K384 H385 L386 D392 T396	A231-Y382 HydrophobicContact CB-CD2 4.25Å; A231-Y382 HydrophobicContact CB-CE2 4Å; A231-Y382 VanDerWaalsContact O-CD2 3.28Å; A231-Y382 WeakPolarHBondContact O-CD2 3.15Å; A231-Y382 WeakPolarHBondContact O-CE2 3.5Å; A234-Y382 HydrophobicContact CB-CD2 4.29Å; A235-Y382 HydrophobicContact CB-CD2 4.12Å; A235-Y382 HydrophobicContact CB-CE2 3.9Å; W300-Y382 HydrophobicContact CZ2-CE2 4.17Å; W300-Y382 AromaticContact NE1-CE2 3.93Å; W300-Y382 AromaticContact NE1-CZ 3.92Å; W300-Y382 PolarHBondContact NE1-OH 3.06Å; W300-Y382 VanDerWaalsContact NE1-OH 3.08Å; K304-Y382 PolarHBondContact O-OH 2.86Å; I306-Y382 HydrophobicContact CG2-CD1 4.12Å; I306-Y382 HydrophobicContact CG2-CD2 4.41Å; I306-Y382 HydrophobicContact CG2-CE1 3.55Å; I306-Y382 HydrophobicContact CG2-CE2 3.9Å; I306-Y382 VanDerWaalsContact CG2-CZ 3.42Å; A307-Y382 HydrophobicContact CB-CE1 4.26Å; L378-Y382 WeakPolarHBondContact O-CB 3.05Å; L378-Y382 PolarHBondContact O-N 3.47Å; Q380-Y382 VanDerWaalsContact C-N 3.33Å; Q380-Y382 PolarHBondContact O-N 3.28Å; Y382-K384 VanDerWaalsContact C-N 3.27Å; Y382-K384 PolarHBondContact O-N 2.95Å; Y382-H385 PolarHBondContact O-N 2.76Å; Y382-L386 HydrophobicContact CD1-CD1 4.06Å; Y382-L386 HydrophobicContact CE1-CD1 3.7Å; Y382-L386 HydrophobicContact CE1-CG 4.44Å; Y382-D392 HydrophobicContact CE1-CB 4.48Å; Y382-D392 WeakPolarHBondContact CE1-OD2 3.33Å; Y382-D392 PolarHBondContact OH-OD2 3.45Å; Y382-T396 HydrophobicContact CD1-CG2 3.9Å; Y382-T396 WeakPolarHBondContact CD1-OG1 3.14Å; Y382-T396 WeakPolarHBondContact CE1-OG1 3.3Å
383	K	93.8	Very high	88.9	Confident	54 Å²	54	57.8 Å²	57.8	24%	0.235	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-35.2	-179.6	-170.1	168.9	173.5	173.8	0	113.2	L379 Q380 H385 L386 F393 T396 T397	L379-K383 VanDerWaalsContact O-CB 3.29Å; L379-K383 WeakPolarHBondContact O-CB 3.44Å; L379-K383 PolarHBondContact O-N 2.8Å; Q380-K383 PolarHBondContact O-N 2.86Å; K383-H385 PolarHBondContact O-N 2.88Å; K383-H385 VanDerWaalsContact O-N 3.15Å; K383-L386 PolarHBondContact O-N 2.66Å; K383-F393 HydrophobicContact CG-CE2 4.32Å; K383-T396 HydrophobicContact CB-CG2 3.68Å; K383-T396 HydrophobicContact CD-CG2 4.43Å; K383-T396 HydrophobicContact CG-CG2 4.25Å; K383-T397 WeakPolarHBondContact CE-OG1 3.35Å; K383-T397 PolarHBondContact NZ-OG1 2.92Å
384	K	92.8	Very high	90	Very high	138 Å²	138	58.8 Å²	58.8	60%	0.6	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.8	176.6	-178.2	-170	-179.6	-169.2	0	113.5	Q380 E381 Y382	Q380-K384 WeakPolarHBondContact O-CB 3.44Å; Q380-K384 PolarHBondContact O-N 3.37Å; E381-K384 WeakPolarHBondContact OE1-CD 3.41Å; E381-K384 IonicContact OE1-NZ 3.72Å; E381-K384 PolarHBondContact OE1-NZ 2.84Å; E381-K384 WeakPolarHBondContact OE2-CD 3.02Å; E381-K384 IonicContact OE2-NZ 2.59Å; E381-K384 PolarHBondContact OE2-NZ 3.1Å; Y382-K384 VanDerWaalsContact C-N 3.27Å; Y382-K384 PolarHBondContact O-N 2.95Å
385	H	93.6	Very high	90.9	Very high	20 Å²	20	53 Å²	53	9%	0.093	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	11.4	176	-51.5	-59.1	0	0	0	112.9	R227 K230 A231 E381 Y382 K383	R227-H385 WeakPolarHBondContact CD-O 3.35Å; R227-H385 HydrophobicContact CG-CB 4.32Å; R227-H385 WeakPolarHBondContact CG-O 3.29Å; R227-H385 PolarHBondContact NH1-O 3.45Å; K230-H385 HydrophobicContact CB-CB 4.26Å; A231-H385 HydrophobicContact CB-CB 3.84Å; E381-H385 PolarHBondContact O-CD2 2.71Å; E381-H385 PolarHBondContact O-NE2 3.36Å; E381-H385 IonicContact OE1-CD2 3.88Å; E381-H385 IonicContact OE1-CE1 2.76Å; E381-H385 PolarHBondContact OE1-CE1 2.91Å; E381-H385 IonicContact OE1-NE2 2.63Å; E381-H385 PolarHBondContact OE1-NE2 2.88Å; Y382-H385 PolarHBondContact O-N 2.76Å; K383-H385 PolarHBondContact O-N 2.88Å; K383-H385 VanDerWaalsContact O-N 3.15Å
386	L	93.1	Very high	91.2	Very high	15 Å²	15	53 Å²	53	8%	0.079	28%	0.278	C	S	.	.			trans	-107.7	149.9	173.4	-60.5	-176.4	0	0	0	111.8	A231 Y382 K383 D390 D392 F393 T396	A231-L386 HydrophobicContact CB-CD2 4.43Å; Y382-L386 HydrophobicContact CD1-CD1 4.06Å; Y382-L386 HydrophobicContact CE1-CD1 3.7Å; Y382-L386 HydrophobicContact CE1-CG 4.44Å; K383-L386 PolarHBondContact O-N 2.66Å; L386-D390 VanDerWaalsContact CA-OD2 3.29Å; L386-D390 WeakPolarHBondContact CA-OD2 3.48Å; L386-D390 HydrophobicContact CD2-CB 4.29Å; L386-D392 HydrophobicContact CD1-CB 4.33Å; L386-F393 HydrophobicContact CB-CD2 3.86Å; L386-T396 WeakPolarHBondContact CD1-OG1 3.36Å
387	Q	92.9	Very high	91.9	Very high	85 Å²	85	53.1 Å²	53.1	40%	0.397	28%	0.282	S	S	.	.			trans	-107.2	156.2	169.8	-70.8	174.2	-42.5	0	0	109.8	S389 D390 F393	Q387-S389 PolarHBondContact O-N 3.32Å; Q387-D390 PolarHBondContact N-OD2 2.9Å; Q387-D390 WeakPolarHBondContact O-CB 3.36Å; Q387-D390 PolarHBondContact O-N 3.25Å; Q387-F393 VanDerWaalsContact C-CD2 3.49Å; Q387-F393 WeakPolarHBondContact O-CB 3.46Å; Q387-F393 WeakPolarHBondContact O-CD2 3.39Å
388	P	92.6	Very high	92.9	Very high	104 Å²	104	51.8 Å²	51.8	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.7	179.1	-26	35.3	0	0	0	115.6	F393	P388-F393 HydrophobicContact CB-CD1 4.37Å; P388-F393 HydrophobicContact CB-CE1 4.21Å; P388-F393 HydrophobicContact CB-CZ 4.4Å; P388-F393 HydrophobicContact CG-CE1 4.23Å; P388-F393 HydrophobicContact CG-CE2 4.2Å; P388-F393 HydrophobicContact CG-CZ 3.93Å
389	S	91.6	Very high	93.5	Very high	100 Å²	100	50.8 Å²	50.8	70%	0.699	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8	174.2	52.6	0	0	0	0	114.5	Q387	Q387-S389 PolarHBondContact O-N 3.32Å
390	D	94.4	Very high	93.6	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.091	28%	0.278	C	S	.	.	S	Bend	trans	-85	139.9	-177.3	-58.4	-23.6	0	0	0	111.5	R227 Y228 L386 Q387 D392 F393	R227-D390 IonicContact CZ-OD1 2.58Å; R227-D390 IonicContact CZ-OD2 2.8Å; R227-D390 VanDerWaalsContact CZ-OD2 3.25Å; R227-D390 IonicContact NH1-OD1 2.87Å; R227-D390 IonicContact NH1-OD2 3.94Å; R227-D390 PolarHBondContact NH1-OD2 2.96Å; R227-D390 IonicContact NH2-OD1 2.71Å; R227-D390 PolarHBondContact NH2-OD1 3.26Å; R227-D390 IonicContact NH2-OD2 3.49Å; R227-D390 PolarHBondContact NH2-OD2 2.87Å; R227-D390 VanDerWaalsContact NH2-OD2 3.09Å; Y228-D390 PolarHBondContact OH-OD1 2.86Å; Y228-D390 VanDerWaalsContact OH-OD1 3.1Å; L386-D390 VanDerWaalsContact CA-OD2 3.29Å; L386-D390 WeakPolarHBondContact CA-OD2 3.48Å; L386-D390 HydrophobicContact CD2-CB 4.29Å; Q387-D390 PolarHBondContact N-OD2 2.9Å; Q387-D390 WeakPolarHBondContact O-CB 3.36Å; Q387-D390 PolarHBondContact O-N 3.25Å; D390-D392 PolarHBondContact O-N 3.46Å; D390-F393 WeakPolarHBondContact O-CB 3.23Å; D390-F393 PolarHBondContact O-N 2.83Å
391	V	93.7	Very high	94.1	Very high	88 Å²	88	53 Å²	53	53%	0.533	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-7.9	-171.4	-62.1	0	0	0	0	117.1	T303 K304 R305	T303-V391 WeakPolarHBondContact O-CG2 3.37Å; K304-V391 HydrophobicContact CB-CG2 4.04Å; R305-V391 HydrophobicContact CG-CG2 3.88Å; R305-V391 PolarHBondContact NE-O 2.93Å
392	D	95.7	Very high	94.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	1.6	-177.7	-146.6	33.5	0	0	0	112.2	K304 R305 I306 A307 N308 Y382 L386 D390 D395 T396	K304-D392 WeakPolarHBondContact O-CB 3.42Å; R305-D392 WeakPolarHBondContact CA-OD2 3.36Å; R305-D392 HydrophobicContact CG-CB 3.99Å; R305-D392 IonicContact NE-OD1 2.68Å; I306-D392 PolarHBondContact N-OD2 2.81Å; A307-D392 PolarHBondContact N-OD1 2.84Å; A307-D392 PolarHBondContact N-OD2 2.92Å; N308-D392 PolarHBondContact N-OD1 2.89Å; Y382-D392 HydrophobicContact CE1-CB 4.48Å; Y382-D392 WeakPolarHBondContact CE1-OD2 3.33Å; Y382-D392 PolarHBondContact OH-OD2 3.45Å; L386-D392 HydrophobicContact CD1-CB 4.33Å; D390-D392 PolarHBondContact O-N 3.46Å; D392-D395 PolarHBondContact O-N 2.82Å; D392-T396 VanDerWaalsContact O-CB 3.31Å; D392-T396 WeakPolarHBondContact O-CB 3.48Å; D392-T396 PolarHBondContact O-N 2.83Å; D392-T396 PolarHBondContact O-OG1 3.08Å
393	F	96.1	Very high	94.3	Very high	36 Å²	36	50.9 Å²	50.9	16%	0.158	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-47.5	-175.5	-178.2	-87.3	0	0	0	112.7	K383 L386 Q387 P388 D390 T396 T397	K383-F393 HydrophobicContact CG-CE2 4.32Å; L386-F393 HydrophobicContact CB-CD2 3.86Å; Q387-F393 VanDerWaalsContact C-CD2 3.49Å; Q387-F393 WeakPolarHBondContact O-CB 3.46Å; Q387-F393 WeakPolarHBondContact O-CD2 3.39Å; P388-F393 HydrophobicContact CB-CD1 4.37Å; P388-F393 HydrophobicContact CB-CE1 4.21Å; P388-F393 HydrophobicContact CB-CZ 4.4Å; P388-F393 HydrophobicContact CG-CE1 4.23Å; P388-F393 HydrophobicContact CG-CE2 4.2Å; P388-F393 HydrophobicContact CG-CZ 3.93Å; D390-F393 WeakPolarHBondContact O-CB 3.23Å; D390-F393 PolarHBondContact O-N 2.83Å; F393-T396 PolarHBondContact O-N 2.84Å; F393-T397 WeakPolarHBondContact O-CB 3.3Å; F393-T397 PolarHBondContact O-N 3.5Å; F393-T397 PolarHBondContact O-OG1 2.79Å
394	D	96.1	Very high	93.9	Very high	115 Å²	115	51.8 Å²	51.8	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-67.1	-41.2	176.3	-71.2	-21	0	0	0	111.1	T396 T397 V398	D394-T396 VanDerWaalsContact C-N 3.31Å; D394-T396 PolarHBondContact O-N 3.08Å; D394-T397 WeakPolarHBondContact O-CA 3.36Å; D394-T397 WeakPolarHBondContact O-CB 3.4Å; D394-T397 PolarHBondContact O-N 3.25Å; D394-V398 WeakPolarHBondContact O-CG2 3.41Å; D394-V398 PolarHBondContact O-N 2.84Å
395	D	97.1	Very high	93.6	Very high	7 Å²	7	49 Å²	49	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-40.1	175.6	-79.1	-18	0	0	0	111.9	R305 A307 N308 R311 D392 T397 A399	R305-D395 IonicContact CZ-OD2 2.68Å; R305-D395 IonicContact NE-OD2 3.23Å; R305-D395 IonicContact NH2-OD2 2.77Å; R305-D395 PolarHBondContact NH2-OD2 3.31Å; A307-D395 HydrophobicContact CB-CB 4.19Å; N308-D395 WeakPolarHBondContact CB-OD2 3.45Å; R311-D395 WeakPolarHBondContact CD-OD1 3.47Å; R311-D395 IonicContact CZ-OD1 3.82Å; R311-D395 IonicContact NE-OD1 3.12Å; R311-D395 PolarHBondContact NE-OD1 3.37Å; R311-D395 IonicContact NH1-OD1 3.35Å; R311-D395 PolarHBondContact NH1-OD1 3.32Å; R311-D395 IonicContact NH2-OD1 2.79Å; D392-D395 PolarHBondContact O-N 2.82Å; D395-T397 VanDerWaalsContact C-N 3.33Å; D395-A399 WeakPolarHBondContact O-CB 3.19Å; D395-A399 PolarHBondContact O-N 3.25Å
396	T	96.8	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-35.9	173.3	-52.7	0	0	0	0	111.8	A307 L379 Y382 K383 L386 D392 F393 D394 L400	A307-T396 VanDerWaalsContact CB-CA 3.49Å; A307-T396 HydrophobicContact CB-CG2 4.41Å; A307-T396 WeakPolarHBondContact CB-OG1 3.48Å; L379-T396 HydrophobicContact CB-CG2 4.48Å; L379-T396 HydrophobicContact CD2-CG2 4.29Å; Y382-T396 HydrophobicContact CD1-CG2 3.9Å; Y382-T396 WeakPolarHBondContact CD1-OG1 3.14Å; Y382-T396 WeakPolarHBondContact CE1-OG1 3.3Å; K383-T396 HydrophobicContact CB-CG2 3.68Å; K383-T396 HydrophobicContact CD-CG2 4.43Å; K383-T396 HydrophobicContact CG-CG2 4.25Å; L386-T396 WeakPolarHBondContact CD1-OG1 3.36Å; D392-T396 VanDerWaalsContact O-CB 3.31Å; D392-T396 WeakPolarHBondContact O-CB 3.48Å; D392-T396 PolarHBondContact O-N 2.83Å; D392-T396 PolarHBondContact O-OG1 3.08Å; F393-T396 PolarHBondContact O-N 2.84Å; D394-T396 VanDerWaalsContact C-N 3.31Å; D394-T396 PolarHBondContact O-N 3.08Å; T396-L400 VanDerWaalsContact O-CB 3.26Å; T396-L400 WeakPolarHBondContact O-CB 3.25Å; T396-L400 PolarHBondContact O-N 2.8Å
397	T	95.6	Very high	92.2	Very high	51 Å²	51	47.7 Å²	47.7	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-49	178.4	-57	0	0	0	0	111.4	K383 F393 D394 D395 L400 E401	K383-T397 WeakPolarHBondContact CE-OG1 3.35Å; K383-T397 PolarHBondContact NZ-OG1 2.92Å; F393-T397 WeakPolarHBondContact O-CB 3.3Å; F393-T397 PolarHBondContact O-N 3.5Å; F393-T397 PolarHBondContact O-OG1 2.79Å; D394-T397 WeakPolarHBondContact O-CA 3.36Å; D394-T397 WeakPolarHBondContact O-CB 3.4Å; D394-T397 PolarHBondContact O-N 3.25Å; D395-T397 VanDerWaalsContact C-N 3.33Å; T397-L400 PolarHBondContact O-N 2.99Å; T397-E401 PolarHBondContact O-N 3.14Å; T397-E401 VanDerWaalsContact O-N 3.14Å
398	V	96.8	Very high	91.5	Very high	64 Å²	64	46.3 Å²	46.3	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-69.1	-38.6	177.7	-179.3	0	0	0	0	111.2	R311 D394 L400 E401 L402	R311-V398 HydrophobicContact CG-CB 4.15Å; R311-V398 HydrophobicContact CG-CG1 3.88Å; D394-V398 WeakPolarHBondContact O-CG2 3.41Å; D394-V398 PolarHBondContact O-N 2.84Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 PolarHBondContact O-N 3.5Å; V398-E401 PolarHBondContact O-N 3.3Å; V398-L402 HydrophobicContact CG1-CD1 3.96Å; V398-L402 HydrophobicContact CG1-CG 4.35Å; V398-L402 VanDerWaalsContact O-CG 3.31Å; V398-L402 WeakPolarHBondContact O-CG 3.35Å; V398-L402 PolarHBondContact O-N 3.37Å
399	A	96.4	Very high	90.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-43.6	174	0	0	0	0	0	112	V310 R311 L379 D395 L402 V403	V310-A399 HydrophobicContact CB-CB 4.14Å; V310-A399 HydrophobicContact CG1-CB 4.2Å; R311-A399 HydrophobicContact CB-CB 4.06Å; L379-A399 HydrophobicContact CD1-CB 3.88Å; L379-A399 HydrophobicContact CD2-CB 4.22Å; D395-A399 WeakPolarHBondContact O-CB 3.19Å; D395-A399 PolarHBondContact O-N 3.25Å; A399-L402 PolarHBondContact O-N 3.4Å; A399-V403 WeakPolarHBondContact O-CB 3.27Å; A399-V403 VanDerWaalsContact O-CG2 3.28Å; A399-V403 WeakPolarHBondContact O-CG2 3.35Å; A399-V403 PolarHBondContact O-N 3.13Å
400	L	92.9	Very high	89.7	Confident	24 Å²	24	40.2 Å²	40.2	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-41.5	179.5	178.7	59.5	0	0	0	111.5	Q376 L379 Q380 T396 T397 V398 V403 L404	Q376-L400 HydrophobicContact CB-CD1 3.95Å; L379-L400 HydrophobicContact CB-CB 4.38Å; L379-L400 HydrophobicContact CB-CD1 4.2Å; L379-L400 HydrophobicContact CD1-CB 4.29Å; Q380-L400 HydrophobicContact CG-CD1 4.01Å; Q380-L400 HydrophobicContact CG-CD2 3.83Å; T396-L400 VanDerWaalsContact O-CB 3.26Å; T396-L400 WeakPolarHBondContact O-CB 3.25Å; T396-L400 PolarHBondContact O-N 2.8Å; T397-L400 PolarHBondContact O-N 2.99Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 PolarHBondContact O-N 3.5Å; L400-V403 PolarHBondContact O-N 2.88Å; L400-L404 HydrophobicContact CD1-CD1 4.16Å; L400-L404 HydrophobicContact CD1-CG 4.33Å; L400-L404 HydrophobicContact CG-CD1 4.07Å; L400-L404 WeakPolarHBondContact O-CB 3.27Å; L400-L404 VanDerWaalsContact O-CG 3.26Å; L400-L404 WeakPolarHBondContact O-CG 3.25Å; L400-L404 PolarHBondContact O-N 3.18Å
401	E	94.1	Very high	88.4	Confident	111 Å²	111	43 Å²	43	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-48	175	-161.8	-161.6	145.3	0	0	111.8	T397 V398 V403 L404 Q405	T397-E401 PolarHBondContact O-N 3.14Å; T397-E401 VanDerWaalsContact O-N 3.14Å; V398-E401 PolarHBondContact O-N 3.3Å; E401-V403 VanDerWaalsContact C-N 3.32Å; E401-V403 PolarHBondContact O-N 3.42Å; E401-L404 PolarHBondContact O-N 2.64Å; E401-L404 VanDerWaalsContact O-N 3.17Å; E401-Q405 WeakPolarHBondContact O-CG 3.29Å; E401-Q405 PolarHBondContact O-N 2.87Å; E401-Q405 PolarHBondContact OE1-NE2 3.02Å
402	L	93.8	Very high	87.1	Confident	39 Å²	39	41.8 Å²	41.8	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-37.8	179.5	-69.8	171	0	0	0	112.6	R311 A314 P315 V398 A399 A406	R311-L402 HydrophobicContact CG-CD1 4.32Å; A314-L402 HydrophobicContact CB-CB 3.62Å; A314-L402 HydrophobicContact CB-CD1 4.4Å; P315-L402 HydrophobicContact CG-CD1 4.45Å; V398-L402 HydrophobicContact CG1-CD1 3.96Å; V398-L402 HydrophobicContact CG1-CG 4.35Å; V398-L402 VanDerWaalsContact O-CG 3.31Å; V398-L402 WeakPolarHBondContact O-CG 3.35Å; V398-L402 PolarHBondContact O-N 3.37Å; A399-L402 PolarHBondContact O-N 3.4Å; L402-A406 WeakPolarHBondContact O-CB 3.35Å; L402-A406 PolarHBondContact O-N 3.29Å
403	V	89.9	Confident	85.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-45.8	173.1	165.2	0	0	0	0	111.2	V310 A314 L317 Q376 L379 A399 L400 E401 Q405 A406 A407	V310-V403 HydrophobicContact CG1-CG2 4.34Å; A314-V403 HydrophobicContact CB-CG2 4.1Å; L317-V403 HydrophobicContact CD1-CG2 3.91Å; Q376-V403 HydrophobicContact CB-CG1 4.04Å; L379-V403 HydrophobicContact CD1-CB 4.37Å; L379-V403 HydrophobicContact CD1-CG2 3.86Å; A399-V403 WeakPolarHBondContact O-CB 3.27Å; A399-V403 VanDerWaalsContact O-CG2 3.28Å; A399-V403 WeakPolarHBondContact O-CG2 3.35Å; A399-V403 PolarHBondContact O-N 3.13Å; L400-V403 PolarHBondContact O-N 2.88Å; E401-V403 VanDerWaalsContact C-N 3.32Å; E401-V403 PolarHBondContact O-N 3.42Å; V403-Q405 PolarHBondContact O-N 3.39Å; V403-A406 PolarHBondContact O-N 3Å; V403-A407 PolarHBondContact O-N 2.82Å
404	L	85.7	Confident	83.8	Confident	73 Å²	73	45.2 Å²	45.2	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-41.6	176.6	-74.1	166.4	0	0	0	111.7	Q376 L400 E401 A406 A407 A408	Q376-L404 HydrophobicContact CB-CD2 4.22Å; L400-L404 HydrophobicContact CD1-CD1 4.16Å; L400-L404 HydrophobicContact CD1-CG 4.33Å; L400-L404 HydrophobicContact CG-CD1 4.07Å; L400-L404 WeakPolarHBondContact O-CB 3.27Å; L400-L404 VanDerWaalsContact O-CG 3.26Å; L400-L404 WeakPolarHBondContact O-CG 3.25Å; L400-L404 PolarHBondContact O-N 3.18Å; E401-L404 PolarHBondContact O-N 2.64Å; E401-L404 VanDerWaalsContact O-N 3.17Å; L404-A406 VanDerWaalsContact C-N 3.34Å; L404-A406 PolarHBondContact O-N 3.3Å; L404-A407 PolarHBondContact O-N 2.75Å; L404-A408 VanDerWaalsContact O-CB 3.23Å; L404-A408 WeakPolarHBondContact O-CB 3.48Å; L404-A408 PolarHBondContact O-N 3.31Å
405	Q	87.7	Confident	82.4	Confident	80 Å²	80	45.1 Å²	45.1	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-39.6	173.6	-70.2	-178	18.5	0	0	112.2	E401 V403 H409	E401-Q405 WeakPolarHBondContact O-CG 3.29Å; E401-Q405 PolarHBondContact O-N 2.87Å; E401-Q405 PolarHBondContact OE1-NE2 3.02Å; V403-Q405 PolarHBondContact O-N 3.39Å; Q405-H409 WeakPolarHBondContact O-CB 3.38Å; Q405-H409 PolarHBondContact O-N 3.05Å
406	A	82.6	Confident	80.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-43.4	177.6	0	0	0	0	0	112.5	L317 K318 L402 V403 L404 H409 A410	L317-A406 HydrophobicContact CB-CB 3.85Å; K318-A406 HydrophobicContact CG-CB 4.08Å; L402-A406 WeakPolarHBondContact O-CB 3.35Å; L402-A406 PolarHBondContact O-N 3.29Å; V403-A406 PolarHBondContact O-N 3Å; L404-A406 VanDerWaalsContact C-N 3.34Å; L404-A406 PolarHBondContact O-N 3.3Å; A406-H409 WeakPolarHBondContact O-CB 3.26Å; A406-H409 PolarHBondContact O-N 3.44Å; A406-A410 PolarHBondContact O-N 3.09Å
407	A	74.8	Confident	79	Confident	7 Å²	7	53 Å²	53	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-40.3	175.1	0	0	0	0	0	112.2	V403 L404 A410 N411	V403-A407 PolarHBondContact O-N 2.82Å; L404-A407 PolarHBondContact O-N 2.75Å; A407-A410 PolarHBondContact O-N 2.99Å; A407-N411 PolarHBondContact O-N 2.89Å; A407-N411 VanDerWaalsContact O-N 3.07Å; A407-N411 PolarHBondContact O-ND2 3.49Å
408	A	77.6	Confident	77.7	Confident	56 Å²	56	54.6 Å²	54.6	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-42	173.7	0	0	0	0	0	111.9	L404 N411 E412	L404-A408 VanDerWaalsContact O-CB 3.23Å; L404-A408 WeakPolarHBondContact O-CB 3.48Å; L404-A408 PolarHBondContact O-N 3.31Å; A408-N411 PolarHBondContact O-N 2.82Å; A408-E412 WeakPolarHBondContact O-CB 3.2Å; A408-E412 PolarHBondContact O-N 3.16Å
409	H	77.4	Confident	76.6	Confident	73 Å²	73	55.4 Å²	55.4	34%	0.338	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-45.7	174.8	-178	-99.9	0	0	0	112.1	S321 Q405 A406 N411 E412 M413	S321-H409 PolarHBondContact OG-CE1 2.98Å; Q405-H409 WeakPolarHBondContact O-CB 3.38Å; Q405-H409 PolarHBondContact O-N 3.05Å; A406-H409 WeakPolarHBondContact O-CB 3.26Å; A406-H409 PolarHBondContact O-N 3.44Å; H409-N411 PolarHBondContact O-N 2.95Å; H409-E412 PolarHBondContact O-N 2.69Å; H409-M413 WeakPolarHBondContact O-CG 3.4Å; H409-M413 PolarHBondContact O-N 2.77Å
410	A	68.4	Low	75.4	Confident	2 Å²	2	59.3 Å²	59.3	2%	0.017	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-45.7	177	0	0	0	0	0	112.6	T324 A406 A407 M414	T324-A410 HydrophobicContact CG2-CB 4.22Å; A406-A410 PolarHBondContact O-N 3.09Å; A407-A410 PolarHBondContact O-N 2.99Å; A410-M414 PolarHBondContact O-N 3.43Å
411	N	66.4	Low	74.1	Confident	77 Å²	77	59.4 Å²	59.4	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-66.9	-37.4	177.5	-73.6	-34.4	0	0	0	113.2	A407 A408 H409 M414 K415	A407-N411 PolarHBondContact O-N 2.89Å; A407-N411 VanDerWaalsContact O-N 3.07Å; A407-N411 PolarHBondContact O-ND2 3.49Å; A408-N411 PolarHBondContact O-N 2.82Å; H409-N411 PolarHBondContact O-N 2.95Å; N411-M414 PolarHBondContact O-N 3.26Å; N411-K415 WeakPolarHBondContact O-CG 3.33Å; N411-K415 PolarHBondContact O-N 3.31Å
412	E	67.9	Low	73.5	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.29	29%	0.291	S	S	.	.	H	α-helix	trans	-72.3	-33.5	180	-176.2	59.7	-168.9	0	0	112.2	A408 H409 K415 K416	A408-E412 WeakPolarHBondContact O-CB 3.2Å; A408-E412 PolarHBondContact O-N 3.16Å; H409-E412 PolarHBondContact O-N 2.69Å; E412-K415 PolarHBondContact O-N 3.32Å; E412-K416 WeakPolarHBondContact O-CG 3.39Å; E412-K416 PolarHBondContact O-N 3.33Å; E412-K416 WeakPolarHBondContact OE1-CE 3.46Å; E412-K416 IonicContact OE1-NZ 2.72Å
413	M	62.3	Low	73	Confident	50 Å²	50	56 Å²	56	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-38.5	173.1	-67.2	-56.8	102	0	0	112.1	N325 H409 K415 K416 L417	N325-M413 WeakPolarHBondContact ND2-CB 3.36Å; N325-M413 VanDerWaalsContact OD1-CB 3.31Å; N325-M413 WeakPolarHBondContact OD1-CB 3.5Å; H409-M413 WeakPolarHBondContact O-CG 3.4Å; H409-M413 PolarHBondContact O-N 2.77Å; M413-K415 PolarHBondContact O-N 3.01Å; M413-K416 HydrophobicContact CE-CD 4.01Å; M413-K416 PolarHBondContact O-N 2.79Å; M413-L417 WeakPolarHBondContact O-CG 3.28Å; M413-L417 PolarHBondContact O-N 2.99Å
414	M	59.8	Low	72.2	Confident	58 Å²	58	58.5 Å²	58.5	29%	0.286	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-45	174.3	-68.9	-179.6	75.7	0	0	111.4	T324 N325 A410 N411 K416 L417 D418	T324-M414 WeakPolarHBondContact O-CE 3.42Å; N325-M414 WeakPolarHBondContact OD1-CA 3.32Å; N325-M414 WeakPolarHBondContact OD1-CG 3.48Å; N325-M414 PolarHBondContact OD1-N 2.9Å; A410-M414 PolarHBondContact O-N 3.43Å; N411-M414 PolarHBondContact O-N 3.26Å; M414-K416 PolarHBondContact O-N 3.13Å; M414-L417 PolarHBondContact O-N 3.48Å; M414-D418 PolarHBondContact O-N 3.05Å
415	K	66.3	Low	72	Confident	113 Å²	113	60 Å²	60	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.6	-71.5	173.5	-177.8	176.4	0	112.3	N411 E412 M413 L417 D418 R419	N411-K415 WeakPolarHBondContact O-CG 3.33Å; N411-K415 PolarHBondContact O-N 3.31Å; E412-K415 PolarHBondContact O-N 3.32Å; M413-K415 PolarHBondContact O-N 3.01Å; K415-L417 VanDerWaalsContact C-N 3.34Å; K415-L417 PolarHBondContact O-N 3.47Å; K415-D418 PolarHBondContact O-N 2.78Å; K415-R419 WeakPolarHBondContact O-CG 3.44Å; K415-R419 PolarHBondContact O-N 3.13Å
416	K	62.4	Low	71.9	Confident	94 Å²	94	56.4 Å²	56.4	41%	0.409	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-35.1	177.8	-73.6	-178.4	-176.3	179.3	0	112.7	E412 M413 M414 F420	E412-K416 WeakPolarHBondContact O-CG 3.39Å; E412-K416 PolarHBondContact O-N 3.33Å; E412-K416 WeakPolarHBondContact OE1-CE 3.46Å; E412-K416 IonicContact OE1-NZ 2.72Å; M413-K416 HydrophobicContact CE-CD 4.01Å; M413-K416 PolarHBondContact O-N 2.79Å; M414-K416 PolarHBondContact O-N 3.13Å; K416-F420 WeakPolarHBondContact O-CB 3.36Å; K416-F420 PolarHBondContact O-N 2.94Å
417	L	59.8	Low	71.8	Confident	80 Å²	80	57.3 Å²	57.3	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-38	174	-71.2	177.3	0	0	0	112.9	N325 M413 M414 K415 G421	N325-L417 HydrophobicContact CB-CD1 3.58Å; N325-L417 VanDerWaalsContact CG-CD1 3.44Å; M413-L417 WeakPolarHBondContact O-CG 3.28Å; M413-L417 PolarHBondContact O-N 2.99Å; M414-L417 PolarHBondContact O-N 3.48Å; K415-L417 VanDerWaalsContact C-N 3.34Å; K415-L417 PolarHBondContact O-N 3.47Å; L417-G421 PolarHBondContact O-N 3.28Å
418	D	69.4	Low	71.9	Confident	83 Å²	83	63.5 Å²	63.5	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-49.7	171.4	163.2	81.3	0	0	0	111.9	M414 K415 F420 G421 K422	M414-D418 PolarHBondContact O-N 3.05Å; K415-D418 PolarHBondContact O-N 2.78Å; D418-F420 VanDerWaalsContact C-N 3.35Å; D418-F420 PolarHBondContact O-N 2.99Å; D418-G421 PolarHBondContact O-N 3.34Å; D418-K422 PolarHBondContact O-N 3.2Å; D418-K422 VanDerWaalsContact O-N 3.11Å; D418-K422 VanDerWaalsContact OD1-CE 3.28Å; D418-K422 WeakPolarHBondContact OD1-CE 3.08Å; D418-K422 IonicContact OD1-NZ 2.65Å; D418-K422 PolarHBondContact OD1-NZ 3.23Å; D418-K422 IonicContact OD2-NZ 2.93Å; D418-K422 PolarHBondContact OD2-NZ 2.85Å
419	R	73.2	Confident	72.3	Confident	82 Å²	82	63.7 Å²	63.7	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-41.1	177.2	-68.1	-178	-160.6	154.6	7.5	112.2	K415 K422 V423 E442	K415-R419 WeakPolarHBondContact O-CG 3.44Å; K415-R419 PolarHBondContact O-N 3.13Å; R419-K422 PolarHBondContact O-N 3.4Å; R419-V423 PolarHBondContact O-N 3.43Å; R419-E442 HydrophobicContact CB-CB 4.38Å; R419-E442 HydrophobicContact CB-CG 4.17Å; R419-E442 WeakPolarHBondContact CD-OE1 3.45Å; R419-E442 WeakPolarHBondContact CD-OE2 3.45Å; R419-E442 IonicContact CZ-OE1 2.69Å; R419-E442 IonicContact CZ-OE2 2.7Å; R419-E442 IonicContact NE-OE2 3.41Å; R419-E442 VanDerWaalsContact NH1-CD 3.28Å; R419-E442 IonicContact NH1-OE1 3.19Å; R419-E442 PolarHBondContact NH1-OE1 3.45Å; R419-E442 IonicContact NH1-OE2 3.62Å; R419-E442 PolarHBondContact NH1-OE2 3.37Å
420	F	69.9	Low	72.6	Confident	81 Å²	81	60.3 Å²	60.3	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-38.4	175.8	-174.6	-103.3	0	0	0	112	K416 D418 K422 V423 I424 V437	K416-F420 WeakPolarHBondContact O-CB 3.36Å; K416-F420 PolarHBondContact O-N 2.94Å; D418-F420 VanDerWaalsContact C-N 3.35Å; D418-F420 PolarHBondContact O-N 2.99Å; F420-K422 VanDerWaalsContact C-N 3.3Å; F420-K422 PolarHBondContact O-N 3.38Å; F420-V423 WeakPolarHBondContact O-CA 3.47Å; F420-V423 WeakPolarHBondContact O-CB 3.29Å; F420-V423 PolarHBondContact O-N 2.9Å; F420-I424 HydrophobicContact CD1-CG1 4.36Å; F420-I424 HydrophobicContact CE1-CD1 4.05Å; F420-I424 HydrophobicContact CE1-CG1 4.15Å; F420-I424 HydrophobicContact CZ-CD1 4.11Å; F420-I424 PolarHBondContact O-N 2.99Å; F420-I424 VanDerWaalsContact O-N 3.13Å; F420-V437 HydrophobicContact CE2-CG1 4.15Å; F420-V437 HydrophobicContact CZ-CG1 3.86Å
421	G	67.2	Low	72.6	Confident	26 Å²	26	62 Å²	62	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-54.4	-45.7	172.5	0	0	0	0	0	112.1	L417 D418 V423 I424 E425	L417-G421 PolarHBondContact O-N 3.28Å; D418-G421 PolarHBondContact O-N 3.34Å; G421-V423 VanDerWaalsContact C-N 3.26Å; G421-V423 PolarHBondContact O-N 3.2Å; G421-I424 WeakPolarHBondContact O-CA 3.38Å; G421-I424 WeakPolarHBondContact O-CB 3.5Å; G421-I424 PolarHBondContact O-N 3.27Å; G421-E425 PolarHBondContact O-N 3.3Å
422	K	81.6	Confident	72.7	Confident	78 Å²	78	64.8 Å²	64.8	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-29.2	174.6	-70.8	157.4	-177.3	162.8	0	113.5	D418 R419 F420 V426 L443	D418-K422 PolarHBondContact O-N 3.2Å; D418-K422 VanDerWaalsContact O-N 3.11Å; D418-K422 VanDerWaalsContact OD1-CE 3.28Å; D418-K422 WeakPolarHBondContact OD1-CE 3.08Å; D418-K422 IonicContact OD1-NZ 2.65Å; D418-K422 PolarHBondContact OD1-NZ 3.23Å; D418-K422 IonicContact OD2-NZ 2.93Å; D418-K422 PolarHBondContact OD2-NZ 2.85Å; R419-K422 PolarHBondContact O-N 3.4Å; F420-K422 VanDerWaalsContact C-N 3.3Å; F420-K422 PolarHBondContact O-N 3.38Å; K422-V426 WeakPolarHBondContact O-CG2 3.42Å; K422-V426 PolarHBondContact O-N 3.11Å; K422-L443 HydrophobicContact CB-CB 4.42Å; K422-L443 HydrophobicContact CB-CD2 4.24Å
423	V	82.4	Confident	72.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.7	-38.6	171.5	-175.6	0	0	0	0	111.2	R419 F420 G421 V426 Q427 L436 F467	R419-V423 PolarHBondContact O-N 3.43Å; F420-V423 WeakPolarHBondContact O-CA 3.47Å; F420-V423 WeakPolarHBondContact O-CB 3.29Å; F420-V423 PolarHBondContact O-N 2.9Å; G421-V423 VanDerWaalsContact C-N 3.26Å; G421-V423 PolarHBondContact O-N 3.2Å; V423-V426 PolarHBondContact O-N 3Å; V423-Q427 WeakPolarHBondContact O-CB 3.38Å; V423-Q427 PolarHBondContact O-N 2.95Å; V423-L436 HydrophobicContact CG1-CB 3.73Å; V423-L436 WeakPolarHBondContact CG1-O 3.5Å; V423-F467 HydrophobicContact CB-CE1 4.48Å; V423-F467 HydrophobicContact CG1-CE1 4.2Å; V423-F467 HydrophobicContact CG2-CD1 4.35Å; V423-F467 HydrophobicContact CG2-CE1 4.06Å
424	I	72.4	Confident	73.6	Confident	53 Å²	53	64.2 Å²	64.2	27%	0.272	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-43.2	174.9	-54.1	-53.8	0	0	0	111.2	F420 G421 V426 Q427 E428 V437	F420-I424 HydrophobicContact CD1-CG1 4.36Å; F420-I424 HydrophobicContact CE1-CD1 4.05Å; F420-I424 HydrophobicContact CE1-CG1 4.15Å; F420-I424 HydrophobicContact CZ-CD1 4.11Å; F420-I424 PolarHBondContact O-N 2.99Å; F420-I424 VanDerWaalsContact O-N 3.13Å; G421-I424 WeakPolarHBondContact O-CA 3.38Å; G421-I424 WeakPolarHBondContact O-CB 3.5Å; G421-I424 PolarHBondContact O-N 3.27Å; I424-V426 VanDerWaalsContact C-N 3.3Å; I424-V426 PolarHBondContact O-N 3.49Å; I424-Q427 WeakPolarHBondContact O-CB 3.37Å; I424-Q427 PolarHBondContact O-N 3.36Å; I424-Q427 VanDerWaalsContact O-N 3.09Å; I424-E428 PolarHBondContact O-N 2.9Å; I424-V437 HydrophobicContact CD1-CG2 3.75Å
425	E	82.3	Confident	74.4	Confident	106 Å²	106	65.4 Å²	65.4	50%	0.495	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-43.1	175.6	-70.4	172.7	-167	0	0	111.9	G421 E428 Q429	G421-E425 PolarHBondContact O-N 3.3Å; E425-E428 PolarHBondContact O-N 3.01Å; E425-Q429 WeakPolarHBondContact O-CB 3.21Å; E425-Q429 WeakPolarHBondContact O-CG 3.46Å; E425-Q429 PolarHBondContact O-N 3.36Å; E425-Q429 PolarHBondContact O-NE2 3.5Å
426	V	86.6	Confident	75	Confident	4 Å²	4	60 Å²	60	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-33.2	176.7	179.5	0	0	0	0	112.1	K422 V423 I424 Q429 L430 L436 L443 F465 F467	K422-V426 WeakPolarHBondContact O-CG2 3.42Å; K422-V426 PolarHBondContact O-N 3.11Å; V423-V426 PolarHBondContact O-N 3Å; I424-V426 VanDerWaalsContact C-N 3.3Å; I424-V426 PolarHBondContact O-N 3.49Å; V426-Q429 PolarHBondContact O-N 3.44Å; V426-L430 HydrophobicContact CG1-CD1 3.79Å; V426-L430 HydrophobicContact CG1-CG 4.36Å; V426-L430 WeakPolarHBondContact O-CB 3.44Å; V426-L430 WeakPolarHBondContact O-CG 3.32Å; V426-L430 PolarHBondContact O-N 2.91Å; V426-L436 HydrophobicContact CB-CD1 4.19Å; V426-L436 HydrophobicContact CG1-CD1 3.75Å; V426-L443 HydrophobicContact CG2-CD2 3.97Å; V426-F465 HydrophobicContact CB-CD1 4.36Å; V426-F465 HydrophobicContact CB-CE1 4.28Å; V426-F465 HydrophobicContact CG1-CD1 3.62Å; V426-F465 HydrophobicContact CG1-CD2 4.06Å; V426-F465 HydrophobicContact CG1-CE1 3.66Å; V426-F465 HydrophobicContact CG1-CE2 4.09Å; V426-F465 HydrophobicContact CG1-CG 3.82Å; V426-F465 HydrophobicContact CG1-CZ 3.89Å; V426-F465 HydrophobicContact CG2-CD1 3.68Å; V426-F465 HydrophobicContact CG2-CE1 3.59Å; V426-F465 HydrophobicContact CG2-CZ 4.46Å; V426-F467 HydrophobicContact CB-CZ 4.22Å; V426-F467 HydrophobicContact CG1-CZ 3.92Å
427	Q	78.7	Confident	75.4	Confident	18 Å²	18	59.1 Å²	59.1	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-46.2	172.5	176.5	66.9	26.9	0	0	111.5	V423 I424 L430 G431 N432 I434 L436	V423-Q427 WeakPolarHBondContact O-CB 3.38Å; V423-Q427 PolarHBondContact O-N 2.95Å; I424-Q427 WeakPolarHBondContact O-CB 3.37Å; I424-Q427 PolarHBondContact O-N 3.36Å; I424-Q427 VanDerWaalsContact O-N 3.09Å; Q427-L430 PolarHBondContact O-N 3.49Å; Q427-G431 PolarHBondContact O-N 2.98Å; Q427-N432 PolarHBondContact NE2-OD1 3.18Å; Q427-I434 PolarHBondContact NE2-O 3.47Å; Q427-I434 PolarHBondContact OE1-O 2.98Å; Q427-I434 VanDerWaalsContact OE1-O 3.1Å; Q427-L436 HydrophobicContact CB-CB 4.49Å
428	E	78.3	Confident	75.5	Confident	138 Å²	138	57.2 Å²	57.2	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-65	-46.5	176.3	-69.5	179	178.2	0	0	111.4	I424 E425 L430 G431	I424-E428 PolarHBondContact O-N 2.9Å; E425-E428 PolarHBondContact O-N 3.01Å; E428-L430 PolarHBondContact O-N 3.04Å; E428-G431 PolarHBondContact O-N 3.4Å
429	Q	86	Confident	74.9	Confident	60 Å²	60	59.3 Å²	59.3	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-26.2	178.4	-70.2	171.7	41.4	0	0	113.5	E425 V426 S483 K484 Y485	E425-Q429 WeakPolarHBondContact O-CB 3.21Å; E425-Q429 WeakPolarHBondContact O-CG 3.46Å; E425-Q429 PolarHBondContact O-N 3.36Å; E425-Q429 PolarHBondContact O-NE2 3.5Å; V426-Q429 PolarHBondContact O-N 3.44Å; Q429-S483 CarbonylContact O-C 3.43Å; Q429-S483 WeakPolarHBondContact O-CB 3.31Å; Q429-K484 HydrophobicContact CB-CB 4.32Å; Q429-K484 HydrophobicContact CG-CB 4.47Å; Q429-K484 PolarHBondContact O-N 3.15Å; Q429-Y485 HydrophobicContact CB-CD2 4.07Å; Q429-Y485 PolarHBondContact O-N 3.42Å
430	L	83.9	Confident	74.6	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-90.1	-13.1	172.6	-73.7	168.4	0	0	0	113.7	V426 Q427 E428 S433 I434 L436 F465 I472 A474 S483	V426-L430 HydrophobicContact CG1-CD1 3.79Å; V426-L430 HydrophobicContact CG1-CG 4.36Å; V426-L430 WeakPolarHBondContact O-CB 3.44Å; V426-L430 WeakPolarHBondContact O-CG 3.32Å; V426-L430 PolarHBondContact O-N 2.91Å; Q427-L430 PolarHBondContact O-N 3.49Å; E428-L430 PolarHBondContact O-N 3.04Å; L430-S433 PolarHBondContact O-OG 3.02Å; L430-I434 HydrophobicContact CD1-CG2 4.1Å; L430-L436 HydrophobicContact CD1-CD1 4.02Å; L430-F465 HydrophobicContact CD2-CE2 4.46Å; L430-I472 HydrophobicContact CD1-CD1 3.94Å; L430-I472 HydrophobicContact CD1-CG2 4.46Å; L430-A474 HydrophobicContact CD2-CB 4.09Å; L430-S483 PolarHBondContact O-OG 3.07Å
431	G	67.1	Low	75.3	Confident	37 Å²	37	55.9 Å²	55.9	38%	0.381	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	59.6	171.1	0	0	0	0	0	114.3	Q427 E428 S433 S483	Q427-G431 PolarHBondContact O-N 2.98Å; E428-G431 PolarHBondContact O-N 3.4Å; G431-S433 PolarHBondContact O-N 2.71Å; G431-S483 VanDerWaalsContact CA-CB 3.47Å
432	N	68.5	Low	76.2	Confident	136 Å²	136	56.3 Å²	56.3	73%	0.727	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	15.4	175.7	-64.7	-19.8	0	0	0	116.1	Q427 I434	Q427-N432 PolarHBondContact NE2-OD1 3.18Å; N432-I434 PolarHBondContact O-N 3.18Å
433	S	73	Confident	76.8	Confident	60 Å²	60	54.2 Å²	54.2	42%	0.42	32%	0.322	S	S	.	.	S	Bend	trans	-72.4	-8	174.7	55.9	0	0	0	0	114	L430 G431 L487	L430-S433 PolarHBondContact O-OG 3.02Å; G431-S433 PolarHBondContact O-N 2.71Å; S433-L487 WeakPolarHBondContact O-CD2 3.08Å
434	I	77.3	Confident	77.3	Confident	39 Å²	39	58.5 Å²	58.5	20%	0.2	34%	0.344	C	S	.	.	S	Bend	trans	-153.1	163.8	172.7	178.9	159.1	0	0	0	107.3	Q427 L430 N432 L436 L487 V490	Q427-I434 PolarHBondContact NE2-O 3.47Å; Q427-I434 PolarHBondContact OE1-O 2.98Å; Q427-I434 VanDerWaalsContact OE1-O 3.1Å; L430-I434 HydrophobicContact CD1-CG2 4.1Å; N432-I434 PolarHBondContact O-N 3.18Å; I434-L436 HydrophobicContact CB-CD2 4.49Å; I434-L436 HydrophobicContact CD1-CD2 3.85Å; I434-L436 HydrophobicContact CG1-CD2 3.87Å; I434-L436 HydrophobicContact CG2-CD2 3.82Å; I434-L436 HydrophobicContact CG2-CG 3.99Å; I434-L487 HydrophobicContact CB-CD2 4.13Å; I434-L487 HydrophobicContact CG2-CD2 4.36Å; I434-V490 HydrophobicContact CD1-CG1 4.38Å; I434-V490 HydrophobicContact CD1-CG2 3.94Å
435	S	76.8	Confident	78.4	Confident	84 Å²	84	58.7 Å²	58.7	59%	0.587	34%	0.343	S	S	*	.			trans	-105.5	109.7	164.5	-174.7	0	0	0	0	110
436	L	78.8	Confident	79.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.339	C	S	.	.			trans	-90.8	-13.6	177.1	-57.9	-176.2	0	0	0	113.3	V423 V426 Q427 L430 I434 S438 R441 F467 I472	V423-L436 HydrophobicContact CG1-CB 3.73Å; V423-L436 WeakPolarHBondContact CG1-O 3.5Å; V426-L436 HydrophobicContact CB-CD1 4.19Å; V426-L436 HydrophobicContact CG1-CD1 3.75Å; Q427-L436 HydrophobicContact CB-CB 4.49Å; L430-L436 HydrophobicContact CD1-CD1 4.02Å; I434-L436 HydrophobicContact CB-CD2 4.49Å; I434-L436 HydrophobicContact CD1-CD2 3.85Å; I434-L436 HydrophobicContact CG1-CD2 3.87Å; I434-L436 HydrophobicContact CG2-CD2 3.82Å; I434-L436 HydrophobicContact CG2-CG 3.99Å; L436-S438 PolarHBondContact O-N 2.87Å; L436-R441 VanDerWaalsContact C-NH1 3.27Å; L436-R441 WeakPolarHBondContact O-CD 3.32Å; L436-R441 PolarHBondContact O-NH1 3.35Å; L436-F467 HydrophobicContact CD1-CE1 4.49Å; L436-F467 HydrophobicContact CD1-CE2 4.28Å; L436-F467 HydrophobicContact CD1-CZ 3.75Å; L436-I472 HydrophobicContact CD1-CD1 4.14Å; L436-I472 HydrophobicContact CD2-CD1 3.6Å
437	V	69.2	Low	79.6	Confident	75 Å²	75	57 Å²	57	46%	0.455	35%	0.345	S	S	.	.			trans	-71	105.3	-178.4	-169.7	0	0	0	0	109.9	F420 I424	F420-V437 HydrophobicContact CE2-CG1 4.15Å; F420-V437 HydrophobicContact CZ-CG1 3.86Å; I424-V437 HydrophobicContact CD1-CG2 3.75Å
438	S	63.5	Low	80.4	Confident	39 Å²	39	58.8 Å²	58.8	27%	0.273	36%	0.36	S	S	.	.			trans	-143.5	141.1	176.9	-178.6	0	0	0	0	109.7	L436 G440 R441	L436-S438 PolarHBondContact O-N 2.87Å; S438-G440 PolarHBondContact O-N 3.26Å; S438-R441 PolarHBondContact O-N 2.87Å
439	P	56.6	Low	81.2	Confident	128 Å²	128	52.5 Å²	52.5	83%	0.831	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	131	169.1	-23.9	34.1	0	0	0	110.7	R441	P439-R441 VanDerWaalsContact C-N 3.26Å; P439-R441 PolarHBondContact O-N 2.63Å
440	G	67.4	Low	81.7	Confident	59 Å²	59	52.2 Å²	52.2	61%	0.608	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	2.5	176.5	0	0	0	0	0	116.7	S438 N468	S438-G440 PolarHBondContact O-N 3.26Å; G440-N468 PolarHBondContact O-ND2 3.03Å
441	R	82.9	Confident	82.2	Confident	32 Å²	32	53.9 Å²	53.9	12%	0.121	34%	0.337	C	S	.	.			trans	-75.9	132.9	169.8	-175.6	173.7	-66.4	130.9	-1.4	110	L436 S438 P439 F467 N468 D469	L436-R441 VanDerWaalsContact C-NH1 3.27Å; L436-R441 WeakPolarHBondContact O-CD 3.32Å; L436-R441 PolarHBondContact O-NH1 3.35Å; S438-R441 PolarHBondContact O-N 2.87Å; P439-R441 VanDerWaalsContact C-N 3.26Å; P439-R441 PolarHBondContact O-N 2.63Å; R441-F467 HydrophobicContact CG-CB 4.09Å; R441-F467 HydrophobicContact CG-CD1 3.8Å; R441-F467 HydrophobicContact CG-CG 4.22Å; R441-N468 WeakPolarHBondContact CA-OD1 3.39Å; R441-D469 WeakPolarHBondContact CD-OD1 3.42Å; R441-D469 IonicContact CZ-OD1 2.73Å; R441-D469 IonicContact CZ-OD2 3.78Å; R441-D469 VanDerWaalsContact CZ-OD2 3.3Å; R441-D469 VanDerWaalsContact NE-CG 3.33Å; R441-D469 IonicContact NE-OD1 2.82Å; R441-D469 PolarHBondContact NE-OD1 3.1Å; R441-D469 IonicContact NE-OD2 3.77Å; R441-D469 PolarHBondContact NE-OD2 3.21Å; R441-D469 VanDerWaalsContact NE-OD2 3.12Å; R441-D469 IonicContact NH2-OD1 3.2Å; R441-D469 IonicContact NH2-OD2 2.84Å; R441-D469 PolarHBondContact NH2-OD2 3.16Å
442	E	87.2	Confident	83.3	Confident	35 Å²	35	52.4 Å²	52.4	16%	0.164	32%	0.32	C	S	.	.			trans	-135.5	139.2	-179.4	-59.6	-171.7	159.5	0	0	110.2	R419 F467 N468	R419-E442 HydrophobicContact CB-CB 4.38Å; R419-E442 HydrophobicContact CB-CG 4.17Å; R419-E442 WeakPolarHBondContact CD-OE1 3.45Å; R419-E442 WeakPolarHBondContact CD-OE2 3.45Å; R419-E442 IonicContact CZ-OE1 2.69Å; R419-E442 IonicContact CZ-OE2 2.7Å; R419-E442 IonicContact NE-OE2 3.41Å; R419-E442 VanDerWaalsContact NH1-CD 3.28Å; R419-E442 IonicContact NH1-OE1 3.19Å; R419-E442 PolarHBondContact NH1-OE1 3.45Å; R419-E442 IonicContact NH1-OE2 3.62Å; R419-E442 PolarHBondContact NH1-OE2 3.37Å; E442-F467 WeakPolarHBondContact O-CA 3.41Å; E442-F467 WeakPolarHBondContact O-CB 3.39Å; E442-N468 PolarHBondContact N-OD1 3.25Å; E442-N468 PolarHBondContact O-N 3.06Å; E442-N468 VanDerWaalsContact O-N 3.08Å; E442-N468 PolarHBondContact O-OD1 3.46Å
443	L	93.1	Very high	84.1	Confident	34 Å²	34	46.4 Å²	46.4	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.9	173	-178.8	71.8	0	0	0	109.5	K422 V426 F465 F467	K422-L443 HydrophobicContact CB-CB 4.42Å; K422-L443 HydrophobicContact CB-CD2 4.24Å; V426-L443 HydrophobicContact CG2-CD2 3.97Å; L443-F465 HydrophobicContact CD1-CB 4.11Å; L443-F465 HydrophobicContact CD1-CD1 4.26Å; L443-F467 HydrophobicContact CB-CD1 4.06Å; L443-F467 HydrophobicContact CB-CE1 3.88Å; L443-F467 HydrophobicContact CD1-CD1 4.12Å; L443-F467 HydrophobicContact CD1-CD2 4.42Å; L443-F467 HydrophobicContact CD1-CE1 3.76Å; L443-F467 HydrophobicContact CD1-CE2 4.09Å; L443-F467 HydrophobicContact CD1-CG 4.44Å; L443-F467 HydrophobicContact CD1-CZ 3.75Å; L443-F467 HydrophobicContact CG-CE1 4.41Å
444	L	94.3	Very high	84.2	Confident	90 Å²	90	47.9 Å²	47.9	47%	0.471	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-43.2	-177.2	-56.6	-178.4	0	0	0	112.9	L466 N468 I544	L444-L466 HydrophobicContact CB-CD2 4.41Å; L444-L466 HydrophobicContact CB-CG 4.33Å; L444-L466 PolarHBondContact N-O 3.34Å; L444-N468 HydrophobicContact CD1-CB 4.05Å; L444-N468 HydrophobicContact CD2-CB 4.44Å; L444-N468 HydrophobicContact CG-CB 4.34Å; L444-I544 HydrophobicContact CD1-CG2 3.61Å
445	K	95.9	Very high	84.1	Confident	56 Å²	56	50.4 Å²	50.4	24%	0.243	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149	-176.6	-164	179.5	179.2	-171.1	0	110.9	L466 D536 W537	K445-L466 HydrophobicContact CB-CB 4.1Å; K445-L466 HydrophobicContact CB-CD2 3.91Å; K445-L466 PolarHBondContact N-O 3.06Å; K445-L466 WeakPolarHBondContact O-CB 3.37Å; K445-L466 PolarHBondContact O-N 3.23Å; K445-D536 PolarHBondContact NZ-O 3.1Å; K445-W537 HydrophobicContact CB-CH2 4.24Å; K445-W537 HydrophobicContact CB-CZ3 4.04Å; K445-W537 HydrophobicContact CD-CD2 4.14Å; K445-W537 HydrophobicContact CD-CE3 3.77Å; K445-W537 HydrophobicContact CD-CH2 3.9Å; K445-W537 HydrophobicContact CD-CZ2 4.25Å; K445-W537 HydrophobicContact CD-CZ3 3.64Å; K445-W537 HydrophobicContact CG-CE3 4.45Å; K445-W537 HydrophobicContact CG-CH2 3.73Å; K445-W537 HydrophobicContact CG-CZ2 4.31Å; K445-W537 HydrophobicContact CG-CZ3 3.82Å
446	S	96.7	Very high	84.2	Confident	58 Å²	58	50.3 Å²	50.3	41%	0.406	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.2	172.2	59	0	0	0	0	111.7	I464	S446-I464 WeakPolarHBondContact CA-O 3.09Å; S446-I464 WeakPolarHBondContact CB-O 3.06Å
447	G	96	Very high	84.2	Confident	16 Å²	16	51.8 Å²	51.8	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	172.2	178.1	0	0	0	0	0	113.8	F463 I464	G447-F463 WeakPolarHBondContact O-CA 3.3Å; G447-I464 PolarHBondContact N-O 3.01Å; G447-I464 VanDerWaalsContact N-O 3.16Å; G447-I464 PolarHBondContact O-N 3.45Å
448	S	95.4	Very high	85	Confident	56 Å²	56	55.5 Å²	55.5	39%	0.392	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	152.1	175.1	-74.2	0	0	0	0	112.6	E461 R462	S448-E461 VanDerWaalsContact CB-OE1 3.3Å; S448-E461 WeakPolarHBondContact CB-OE1 3.39Å; S448-E461 PolarHBondContact OG-OE1 3Å; S448-R462 CarbonylContact C-O 3.55Å; S448-R462 VanDerWaalsContact CA-O 3.29Å; S448-R462 WeakPolarHBondContact CA-O 3.29Å
449	V	95.8	Very high	86.2	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.1	172.9	72.2	0	0	0	0	108.7	R462 I464 L526 F527 T528	V449-R462 HydrophobicContact CG1-CB 3.92Å; V449-R462 PolarHBondContact N-O 3.41Å; V449-R462 PolarHBondContact O-N 3.36Å; V449-R462 VanDerWaalsContact O-O 3.06Å; V449-I464 HydrophobicContact CB-CD1 3.88Å; V449-I464 HydrophobicContact CB-CG1 4.01Å; V449-I464 HydrophobicContact CG1-CD1 3.75Å; V449-I464 HydrophobicContact CG1-CG1 3.52Å; V449-I464 HydrophobicContact CG2-CD1 4.23Å; V449-L526 HydrophobicContact CG1-CD1 4.49Å; V449-L526 HydrophobicContact CG1-CD2 3.99Å; V449-L526 HydrophobicContact CG2-CB 4.01Å; V449-L526 HydrophobicContact CG2-CD1 4.44Å; V449-L526 HydrophobicContact CG2-CD2 4.39Å; V449-F527 WeakPolarHBondContact CG2-O 3.35Å; V449-T528 HydrophobicContact CG2-CG2 4.28Å
450	Q	95.4	Very high	87.9	Confident	55 Å²	55	53.7 Å²	53.7	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.4	169.2	-64.3	-61.9	-30.8	0	0	109.7	T459 L526 F527	Q450-T459 HydrophobicContact CB-CG2 4.09Å; Q450-L526 CarbonylContact O-C 3.5Å; Q450-L526 WeakPolarHBondContact O-CA 3.2Å; Q450-F527 HydrophobicContact CB-CB 4.37Å; Q450-F527 HydrophobicContact CB-CD1 3.97Å; Q450-F527 HydrophobicContact CG-CD1 4.25Å; Q450-F527 PolarHBondContact N-O 3.37Å; Q450-F527 VanDerWaalsContact N-O 3.08Å; Q450-F527 PolarHBondContact O-N 3.17Å
451	K	95.1	Very high	89.2	Confident	37 Å²	37	56.3 Å²	56.3	16%	0.161	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134	166.5	162.6	-92.6	178.7	-177.8	0	108.6	T459 E460 R462 V524 L526	K451-T459 CarbonylContact O-C 3.56Å; K451-T459 WeakPolarHBondContact O-CA 3.47Å; K451-E460 HydrophobicContact CD-CB 4.08Å; K451-E460 HydrophobicContact CD-CG 4.42Å; K451-E460 WeakPolarHBondContact CD-OE2 3.2Å; K451-E460 PolarHBondContact N-O 2.76Å; K451-E460 IonicContact NZ-OE1 2.68Å; K451-E460 PolarHBondContact NZ-OE1 2.85Å; K451-E460 IonicContact NZ-OE2 3.38Å; K451-E460 PolarHBondContact NZ-OE2 2.76Å; K451-E460 PolarHBondContact O-N 3.45Å; K451-R462 HydrophobicContact CB-CG 3.64Å; K451-V524 HydrophobicContact CG-CG1 3.91Å; K451-L526 HydrophobicContact CB-CD2 3.96Å
452	I	90.4	Very high	89.8	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.4	172.4	-68.7	156.6	0	0	0	109	S454 T459 R506 E525 F527	I452-S454 PolarHBondContact O-N 3.5Å; I452-T459 HydrophobicContact CG1-CG2 4.01Å; I452-R506 VanDerWaalsContact CD1-CD 3.41Å; I452-E525 HydrophobicContact CB-CB 4.06Å; I452-E525 HydrophobicContact CB-CG 4.13Å; I452-E525 HydrophobicContact CD1-CG 3.86Å; I452-E525 WeakPolarHBondContact CD1-OE1 3.49Å; I452-E525 PolarHBondContact N-O 3.16Å; I452-F527 HydrophobicContact CD1-CB 3.83Å; I452-F527 HydrophobicContact CG1-CB 4.41Å
453	S	84.9	Confident	90.3	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.07	31%	0.306	C	S	.	.			trans	-81.7	113.4	178.1	-176.9	0	0	0	0	111.6	T455 T456 E457 K458	S453-T455 PolarHBondContact O-N 3.38Å; S453-T456 WeakPolarHBondContact CB-OG1 3.38Å; S453-T456 PolarHBondContact O-N 2.9Å; S453-T456 PolarHBondContact OG-N 3.4Å; S453-T456 PolarHBondContact OG-OG1 3.14Å; S453-E457 WeakPolarHBondContact O-CA 3.48Å; S453-E457 PolarHBondContact O-N 3.06Å; S453-K458 VanDerWaalsContact CB-O 3.25Å; S453-K458 WeakPolarHBondContact CB-O 3.44Å; S453-K458 PolarHBondContact N-O 2.99Å
454	S	75.1	Confident	90.5	Very high	90 Å²	90	54.7 Å²	54.7	63%	0.629	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.7	176	55.9	0	0	0	0	115	I452 R719	I452-S454 PolarHBondContact O-N 3.5Å; S454-R719 WeakPolarHBondContact O-CD 3.42Å; S454-R719 PolarHBondContact O-NH1 2.71Å
455	T	75.1	Confident	90.6	Very high	92 Å²	92	50.5 Å²	50.5	56%	0.564	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-30.5	-179.4	-65.7	0	0	0	0	114.2	S453 R719	S453-T455 PolarHBondContact O-N 3.38Å; T455-R719 PolarHBondContact OG1-NH1 2.76Å
456	T	79.3	Confident	90.7	Very high	82 Å²	82	47.9 Å²	47.9	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-3.1	-179.7	54.2	0	0	0	0	113.4	S453 K458	S453-T456 WeakPolarHBondContact CB-OG1 3.38Å; S453-T456 PolarHBondContact O-N 2.9Å; S453-T456 PolarHBondContact OG-N 3.4Å; S453-T456 PolarHBondContact OG-OG1 3.14Å; T456-K458 PolarHBondContact O-N 2.75Å
457	E	78.6	Confident	90.7	Very high	31 Å²	31	45.1 Å²	45.1	15%	0.145	25%	0.245	C	C	.	.			trans	53.4	-4.8	-173.1	-58.2	-165.2	177.7	0	0	116.5	S453 R506 S664 R720	S453-E457 WeakPolarHBondContact O-CA 3.48Å; S453-E457 PolarHBondContact O-N 3.06Å; E457-R506 PolarHBondContact O-NH1 2.84Å; E457-R506 PolarHBondContact O-NH2 3.1Å; E457-S664 VanDerWaalsContact OE2-CB 3.25Å; E457-S664 WeakPolarHBondContact OE2-CB 3.43Å; E457-S664 PolarHBondContact OE2-OG 2.99Å; E457-R720 VanDerWaalsContact OE1-CG 3.27Å; E457-R720 WeakPolarHBondContact OE1-CG 3.27Å
458	K	85.6	Confident	90.6	Very high	153 Å²	153	46.7 Å²	46.7	67%	0.665	25%	0.249	S	C	*	.			trans	-63.3	145	172.2	-64	-172.7	178.8	-172	0	111.3	S453 T456	S453-K458 VanDerWaalsContact CB-O 3.25Å; S453-K458 WeakPolarHBondContact CB-O 3.44Å; S453-K458 PolarHBondContact N-O 2.99Å; T456-K458 PolarHBondContact O-N 2.75Å
459	T	89.7	Confident	90.4	Very high	68 Å²	68	46.6 Å²	46.6	42%	0.417	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	145.7	168.5	40.9	0	0	0	0	110.5	Q450 K451 I452	Q450-T459 HydrophobicContact CB-CG2 4.09Å; K451-T459 CarbonylContact O-C 3.56Å; K451-T459 WeakPolarHBondContact O-CA 3.47Å; I452-T459 HydrophobicContact CG1-CG2 4.01Å
460	E	92.6	Very high	90.4	Very high	61 Å²	61	46.9 Å²	46.9	29%	0.285	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123.5	176.5	-62	165.8	-151.9	0	0	108.6	K451 R462	K451-E460 HydrophobicContact CD-CB 4.08Å; K451-E460 HydrophobicContact CD-CG 4.42Å; K451-E460 WeakPolarHBondContact CD-OE2 3.2Å; K451-E460 PolarHBondContact N-O 2.76Å; K451-E460 IonicContact NZ-OE1 2.68Å; K451-E460 PolarHBondContact NZ-OE1 2.85Å; K451-E460 IonicContact NZ-OE2 3.38Å; K451-E460 PolarHBondContact NZ-OE2 2.76Å; K451-E460 PolarHBondContact O-N 3.45Å; E460-R462 PolarHBondContact O-N 3.22Å; E460-R462 IonicContact OE2-CZ 3.3Å; E460-R462 IonicContact OE2-NH1 3.03Å; E460-R462 IonicContact OE2-NH2 2.73Å; E460-R462 PolarHBondContact OE2-NH2 3.03Å
461	E	94.5	Very high	90.5	Very high	114 Å²	114	44.3 Å²	44.3	53%	0.533	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	138.7	-180	-172.4	174.9	-167.7	0	0	111.7	S448	S448-E461 VanDerWaalsContact CB-OE1 3.3Å; S448-E461 WeakPolarHBondContact CB-OE1 3.39Å; S448-E461 PolarHBondContact OG-OE1 3Å
462	R	95.5	Very high	90.5	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.117	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.2	175.2	-68.9	-63	-178	-80.8	-4.6	109.6	S448 V449 K451 E460 A474	S448-R462 CarbonylContact C-O 3.55Å; S448-R462 VanDerWaalsContact CA-O 3.29Å; S448-R462 WeakPolarHBondContact CA-O 3.29Å; V449-R462 HydrophobicContact CG1-CB 3.92Å; V449-R462 PolarHBondContact N-O 3.41Å; V449-R462 PolarHBondContact O-N 3.36Å; V449-R462 VanDerWaalsContact O-O 3.06Å; K451-R462 HydrophobicContact CB-CG 3.64Å; E460-R462 PolarHBondContact O-N 3.22Å; E460-R462 IonicContact OE2-CZ 3.3Å; E460-R462 IonicContact OE2-NH1 3.03Å; E460-R462 IonicContact OE2-NH2 2.73Å; E460-R462 PolarHBondContact OE2-NH2 3.03Å; R462-A474 CarbonylContact C-O 3.6Å; R462-A474 VanDerWaalsContact CA-O 3.29Å; R462-A474 WeakPolarHBondContact CA-O 3.42Å; R462-A474 WeakPolarHBondContact CB-O 3.16Å; R462-A474 WeakPolarHBondContact CD-O 2.88Å
463	F	96.6	Very high	90.8	Very high	36 Å²	36	42.5 Å²	42.5	16%	0.158	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.8	171	-153.8	-100.6	0	0	0	108.7	G447 F465 A474 Y485	G447-F463 WeakPolarHBondContact O-CA 3.3Å; F463-F465 HydrophobicContact CD1-CD1 4.32Å; F463-F465 HydrophobicContact CD1-CD2 4.28Å; F463-F465 AromaticContact CD1-CE1 3.82Å; F463-F465 HydrophobicContact CD1-CE1 3.82Å; F463-F465 AromaticContact CD1-CE2 3.78Å; F463-F465 HydrophobicContact CD1-CE2 3.78Å; F463-F465 AromaticContact CD1-CZ 3.53Å; F463-F465 HydrophobicContact CD1-CZ 3.53Å; F463-F465 HydrophobicContact CE1-CD1 4.16Å; F463-F465 AromaticContact CE1-CE1 3.58Å; F463-F465 HydrophobicContact CE1-CE1 3.58Å; F463-F465 HydrophobicContact CE1-CE2 4.4Å; F463-F465 AromaticContact CE1-CZ 3.73Å; F463-F465 HydrophobicContact CE1-CZ 3.73Å; F463-A474 PolarHBondContact N-O 3.14Å; F463-A474 PolarHBondContact O-N 3.07Å; F463-Y485 HydrophobicContact CB-CD1 4.07Å; F463-Y485 HydrophobicContact CB-CE1 3.7Å; F463-Y485 HydrophobicContact CD1-CE1 4.04Å; F463-Y485 HydrophobicContact CD1-CE2 4.33Å; F463-Y485 AromaticContact CD1-CZ 3.86Å; F463-Y485 HydrophobicContact CD2-CE1 4.12Å; F463-Y485 HydrophobicContact CE1-CE2 4.45Å; F463-Y485 HydrophobicContact CG-CD1 4.44Å; F463-Y485 AromaticContact CG-CE1 3.7Å; F463-Y485 HydrophobicContact CG-CE1 3.7Å; F463-Y485 AromaticContact CG-CZ 3.9Å
464	I	97.8	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.1	173.7	-47	-173	0	0	0	108.8	S446 G447 V449 V471 I472 L473 L526 W537	S446-I464 WeakPolarHBondContact CA-O 3.09Å; S446-I464 WeakPolarHBondContact CB-O 3.06Å; G447-I464 PolarHBondContact N-O 3.01Å; G447-I464 VanDerWaalsContact N-O 3.16Å; G447-I464 PolarHBondContact O-N 3.45Å; V449-I464 HydrophobicContact CB-CD1 3.88Å; V449-I464 HydrophobicContact CB-CG1 4.01Å; V449-I464 HydrophobicContact CG1-CD1 3.75Å; V449-I464 HydrophobicContact CG1-CG1 3.52Å; V449-I464 HydrophobicContact CG2-CD1 4.23Å; I464-V471 HydrophobicContact CG2-CG1 3.8Å; I464-I472 WeakPolarHBondContact CA-O 3.17Å; I464-L473 HydrophobicContact CB-CD2 4.43Å; I464-L473 HydrophobicContact CD1-CD2 4.38Å; I464-L473 HydrophobicContact CG1-CD2 3.81Å; I464-L473 HydrophobicContact CG2-CD2 4.38Å; I464-L526 HydrophobicContact CD1-CD1 4.2Å; I464-W537 HydrophobicContact CB-CH2 3.72Å; I464-W537 HydrophobicContact CB-CZ2 4.24Å; I464-W537 HydrophobicContact CB-CZ3 3.99Å; I464-W537 HydrophobicContact CD1-CD2 4.06Å; I464-W537 HydrophobicContact CD1-CE3 4.08Å; I464-W537 HydrophobicContact CD1-CH2 4.27Å; I464-W537 HydrophobicContact CD1-CZ2 4.24Å; I464-W537 HydrophobicContact CD1-CZ3 4.19Å; I464-W537 HydrophobicContact CG1-CH2 4.41Å; I464-W537 HydrophobicContact CG2-CE3 4.45Å; I464-W537 HydrophobicContact CG2-CH2 4.01Å; I464-W537 HydrophobicContact CG2-CZ3 3.77Å
465	F	97.6	Very high	92.2	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.6	156.2	-56.2	-86.7	0	0	0	108.7	V426 L430 L443 F463 F467 I472 A474 Y485	V426-F465 HydrophobicContact CB-CD1 4.36Å; V426-F465 HydrophobicContact CB-CE1 4.28Å; V426-F465 HydrophobicContact CG1-CD1 3.62Å; V426-F465 HydrophobicContact CG1-CD2 4.06Å; V426-F465 HydrophobicContact CG1-CE1 3.66Å; V426-F465 HydrophobicContact CG1-CE2 4.09Å; V426-F465 HydrophobicContact CG1-CG 3.82Å; V426-F465 HydrophobicContact CG1-CZ 3.89Å; V426-F465 HydrophobicContact CG2-CD1 3.68Å; V426-F465 HydrophobicContact CG2-CE1 3.59Å; V426-F465 HydrophobicContact CG2-CZ 4.46Å; L430-F465 HydrophobicContact CD2-CE2 4.46Å; L443-F465 HydrophobicContact CD1-CB 4.11Å; L443-F465 HydrophobicContact CD1-CD1 4.26Å; F463-F465 HydrophobicContact CD1-CD1 4.32Å; F463-F465 HydrophobicContact CD1-CD2 4.28Å; F463-F465 AromaticContact CD1-CE1 3.82Å; F463-F465 HydrophobicContact CD1-CE1 3.82Å; F463-F465 AromaticContact CD1-CE2 3.78Å; F463-F465 HydrophobicContact CD1-CE2 3.78Å; F463-F465 AromaticContact CD1-CZ 3.53Å; F463-F465 HydrophobicContact CD1-CZ 3.53Å; F463-F465 HydrophobicContact CE1-CD1 4.16Å; F463-F465 AromaticContact CE1-CE1 3.58Å; F463-F465 HydrophobicContact CE1-CE1 3.58Å; F463-F465 HydrophobicContact CE1-CE2 4.4Å; F463-F465 AromaticContact CE1-CZ 3.73Å; F463-F465 HydrophobicContact CE1-CZ 3.73Å; F465-F467 HydrophobicContact CB-CD2 4.32Å; F465-F467 HydrophobicContact CB-CE2 3.59Å; F465-F467 HydrophobicContact CB-CZ 4.23Å; F465-I472 HydrophobicContact CB-CB 4.22Å; F465-I472 HydrophobicContact CD2-CB 4.36Å; F465-I472 HydrophobicContact CD2-CG2 4.44Å; F465-I472 PolarHBondContact N-O 3.1Å; F465-I472 PolarHBondContact O-N 2.96Å; F465-A474 HydrophobicContact CE2-CB 4.37Å; F465-Y485 HydrophobicContact CE2-CD2 4.09Å; F465-Y485 HydrophobicContact CE2-CG 4.28Å; F465-Y485 AromaticContact CZ-CD2 3.61Å; F465-Y485 HydrophobicContact CZ-CD2 3.61Å; F465-Y485 AromaticContact CZ-CE2 3.73Å; F465-Y485 HydrophobicContact CZ-CE2 3.73Å; F465-Y485 HydrophobicContact CZ-CG 4.23Å
466	L	97.9	Very high	93	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.9	176.7	175.8	68.8	0	0	0	108.5	L444 K445 V471 W537 I541 I544	L444-L466 HydrophobicContact CB-CD2 4.41Å; L444-L466 HydrophobicContact CB-CG 4.33Å; L444-L466 PolarHBondContact N-O 3.34Å; K445-L466 HydrophobicContact CB-CB 4.1Å; K445-L466 HydrophobicContact CB-CD2 3.91Å; K445-L466 PolarHBondContact N-O 3.06Å; K445-L466 WeakPolarHBondContact O-CB 3.37Å; K445-L466 PolarHBondContact O-N 3.23Å; L466-V471 HydrophobicContact CD1-CG2 3.59Å; L466-W537 HydrophobicContact CB-CZ3 4.14Å; L466-I541 HydrophobicContact CD1-CG1 3.9Å; L466-I541 HydrophobicContact CD2-CG1 4.5Å; L466-I544 HydrophobicContact CD1-CD1 3.4Å; L466-I544 HydrophobicContact CD1-CG1 4.18Å
467	F	96.1	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	166.1	170.2	-60.9	-93.4	0	0	0	109.6	V423 V426 L436 R441 E442 L443 F465 D469 L470 I472 I544	V423-F467 HydrophobicContact CB-CE1 4.48Å; V423-F467 HydrophobicContact CG1-CE1 4.2Å; V423-F467 HydrophobicContact CG2-CD1 4.35Å; V423-F467 HydrophobicContact CG2-CE1 4.06Å; V426-F467 HydrophobicContact CB-CZ 4.22Å; V426-F467 HydrophobicContact CG1-CZ 3.92Å; L436-F467 HydrophobicContact CD1-CE1 4.49Å; L436-F467 HydrophobicContact CD1-CE2 4.28Å; L436-F467 HydrophobicContact CD1-CZ 3.75Å; R441-F467 HydrophobicContact CG-CB 4.09Å; R441-F467 HydrophobicContact CG-CD1 3.8Å; R441-F467 HydrophobicContact CG-CG 4.22Å; E442-F467 WeakPolarHBondContact O-CA 3.41Å; E442-F467 WeakPolarHBondContact O-CB 3.39Å; L443-F467 HydrophobicContact CB-CD1 4.06Å; L443-F467 HydrophobicContact CB-CE1 3.88Å; L443-F467 HydrophobicContact CD1-CD1 4.12Å; L443-F467 HydrophobicContact CD1-CD2 4.42Å; L443-F467 HydrophobicContact CD1-CE1 3.76Å; L443-F467 HydrophobicContact CD1-CE2 4.09Å; L443-F467 HydrophobicContact CD1-CG 4.44Å; L443-F467 HydrophobicContact CD1-CZ 3.75Å; L443-F467 HydrophobicContact CG-CE1 4.41Å; F465-F467 HydrophobicContact CB-CD2 4.32Å; F465-F467 HydrophobicContact CB-CE2 3.59Å; F465-F467 HydrophobicContact CB-CZ 4.23Å; F467-D469 PolarHBondContact O-N 2.79Å; F467-L470 HydrophobicContact CB-CD1 4.41Å; F467-L470 HydrophobicContact CB-CG 4.3Å; F467-L470 HydrophobicContact CD2-CD1 3.59Å; F467-L470 HydrophobicContact CD2-CG 4.35Å; F467-L470 HydrophobicContact CE2-CD1 4.26Å; F467-L470 HydrophobicContact CG-CD1 4.29Å; F467-L470 PolarHBondContact N-O 2.94Å; F467-I472 HydrophobicContact CD2-CD1 4.33Å; F467-I472 HydrophobicContact CD2-CG1 4.42Å; F467-I472 HydrophobicContact CE2-CD1 3.67Å; F467-I472 HydrophobicContact CE2-CG1 4.12Å; F467-I544 VanDerWaalsContact O-CD1 3.3Å; F467-I544 WeakPolarHBondContact O-CD1 3.41Å
468	N	93.4	Very high	93.4	Very high	48 Å²	48	46.9 Å²	46.9	26%	0.257	22%	0.218	S	C	.	.	S	Bend	trans	-63.7	-16.4	177	60.7	-22.1	0	0	0	115.1	G440 R441 E442 L444	G440-N468 PolarHBondContact O-ND2 3.03Å; R441-N468 WeakPolarHBondContact CA-OD1 3.39Å; E442-N468 PolarHBondContact N-OD1 3.25Å; E442-N468 PolarHBondContact O-N 3.06Å; E442-N468 VanDerWaalsContact O-N 3.08Å; E442-N468 PolarHBondContact O-OD1 3.46Å; L444-N468 HydrophobicContact CD1-CB 4.05Å; L444-N468 HydrophobicContact CD2-CB 4.44Å; L444-N468 HydrophobicContact CG-CB 4.34Å
469	D	91.9	Very high	92.9	Very high	54 Å²	54	45.8 Å²	45.8	29%	0.289	22%	0.217	S	C	.	.	S	Bend	trans	-121.6	-10.3	-180	73.8	-38	0	0	0	115.1	R441 F467 A493	R441-D469 WeakPolarHBondContact CD-OD1 3.42Å; R441-D469 IonicContact CZ-OD1 2.73Å; R441-D469 IonicContact CZ-OD2 3.78Å; R441-D469 VanDerWaalsContact CZ-OD2 3.3Å; R441-D469 VanDerWaalsContact NE-CG 3.33Å; R441-D469 IonicContact NE-OD1 2.82Å; R441-D469 PolarHBondContact NE-OD1 3.1Å; R441-D469 IonicContact NE-OD2 3.77Å; R441-D469 PolarHBondContact NE-OD2 3.21Å; R441-D469 VanDerWaalsContact NE-OD2 3.12Å; R441-D469 IonicContact NH2-OD1 3.2Å; R441-D469 IonicContact NH2-OD2 2.84Å; R441-D469 PolarHBondContact NH2-OD2 3.16Å; F467-D469 PolarHBondContact O-N 2.79Å; D469-A493 VanDerWaalsContact O-CB 3.26Å; D469-A493 WeakPolarHBondContact O-CB 3.34Å; D469-A493 PolarHBondContact O-N 3.49Å
470	L	94.9	Very high	91.5	Very high	13 Å²	13	51 Å²	51	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	159.2	-176.6	63.2	88.5	0	0	0	114.4	F467 I472 V490 F491	F467-L470 HydrophobicContact CB-CD1 4.41Å; F467-L470 HydrophobicContact CB-CG 4.3Å; F467-L470 HydrophobicContact CD2-CD1 3.59Å; F467-L470 HydrophobicContact CD2-CG 4.35Å; F467-L470 HydrophobicContact CE2-CD1 4.26Å; F467-L470 HydrophobicContact CG-CD1 4.29Å; F467-L470 PolarHBondContact N-O 2.94Å; L470-I472 HydrophobicContact CD1-CD1 3.86Å; L470-I472 HydrophobicContact CD1-CG1 3.42Å; L470-I472 VanDerWaalsContact CD1-CG1 3.42Å; L470-V490 HydrophobicContact CD1-CG1 4.5Å; L470-F491 CarbonylContact C-O 3.54Å; L470-F491 VanDerWaalsContact CA-O 3.23Å; L470-F491 WeakPolarHBondContact CA-O 3.46Å; L470-F491 WeakPolarHBondContact CB-O 3.45Å
471	V	97.5	Very high	90	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.7	171.2	179.7	0	0	0	0	110	I464 L466 V490 F491 M496 L512 I541 I544	I464-V471 HydrophobicContact CG2-CG1 3.8Å; L466-V471 HydrophobicContact CD1-CG2 3.59Å; V471-V490 CarbonylContact O-C 3.51Å; V471-V490 WeakPolarHBondContact O-CA 3.35Å; V471-F491 HydrophobicContact CB-CB 4.4Å; V471-F491 PolarHBondContact N-O 2.77Å; V471-F491 PolarHBondContact O-N 3.11Å; V471-M496 HydrophobicContact CB-SD 4.34Å; V471-M496 HydrophobicContact CG2-CE 3.65Å; V471-M496 HydrophobicContact CG2-SD 3.93Å; V471-L512 HydrophobicContact CG1-CD1 4.07Å; V471-I541 HydrophobicContact CG2-CG1 4.32Å; V471-I544 HydrophobicContact CG2-CD1 4.13Å
472	I	96.3	Very high	88.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.3	173.3	-51.8	-175.5	0	0	0	109.5	L430 L436 I464 F465 F467 L470 L487	L430-I472 HydrophobicContact CD1-CD1 3.94Å; L430-I472 HydrophobicContact CD1-CG2 4.46Å; L436-I472 HydrophobicContact CD1-CD1 4.14Å; L436-I472 HydrophobicContact CD2-CD1 3.6Å; I464-I472 WeakPolarHBondContact CA-O 3.17Å; F465-I472 HydrophobicContact CB-CB 4.22Å; F465-I472 HydrophobicContact CD2-CB 4.36Å; F465-I472 HydrophobicContact CD2-CG2 4.44Å; F465-I472 PolarHBondContact N-O 3.1Å; F465-I472 PolarHBondContact O-N 2.96Å; F467-I472 HydrophobicContact CD2-CD1 4.33Å; F467-I472 HydrophobicContact CD2-CG1 4.42Å; F467-I472 HydrophobicContact CE2-CD1 3.67Å; F467-I472 HydrophobicContact CE2-CG1 4.12Å; L470-I472 HydrophobicContact CD1-CD1 3.86Å; L470-I472 HydrophobicContact CD1-CG1 3.42Å; L470-I472 VanDerWaalsContact CD1-CG1 3.42Å; I472-L487 HydrophobicContact CG2-CD1 3.33Å
473	L	96.6	Very high	88.1	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.5	162.4	-59.5	-178.1	0	0	0	109.4	I464 R488 A489 F491 V524 L526	I464-L473 HydrophobicContact CB-CD2 4.43Å; I464-L473 HydrophobicContact CD1-CD2 4.38Å; I464-L473 HydrophobicContact CG1-CD2 3.81Å; I464-L473 HydrophobicContact CG2-CD2 4.38Å; L473-R488 WeakPolarHBondContact O-CA 3.5Å; L473-R488 WeakPolarHBondContact O-CB 3.37Å; L473-R488 PolarHBondContact O-N 3.47Å; L473-A489 HydrophobicContact CB-CB 4.28Å; L473-A489 HydrophobicContact CD1-CB 4.48Å; L473-A489 PolarHBondContact N-O 3.21Å; L473-A489 PolarHBondContact O-N 3.25Å; L473-A489 VanDerWaalsContact O-N 3.07Å; L473-F491 HydrophobicContact CD1-CE2 3.96Å; L473-F491 HydrophobicContact CG-CE2 4.26Å; L473-V524 HydrophobicContact CD1-CB 4.31Å; L473-V524 HydrophobicContact CD1-CG1 3.9Å; L473-V524 HydrophobicContact CD1-CG2 4.36Å; L473-L526 HydrophobicContact CD1-CD2 4.33Å; L473-L526 HydrophobicContact CD2-CD1 4.27Å
474	A	95.6	Very high	87.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	167.3	177.3	0	0	0	0	0	111.8	L430 R462 F463 F465 K486	L430-A474 HydrophobicContact CD2-CB 4.09Å; R462-A474 CarbonylContact C-O 3.6Å; R462-A474 VanDerWaalsContact CA-O 3.29Å; R462-A474 WeakPolarHBondContact CA-O 3.42Å; R462-A474 WeakPolarHBondContact CB-O 3.16Å; R462-A474 WeakPolarHBondContact CD-O 2.88Å; F463-A474 PolarHBondContact N-O 3.14Å; F463-A474 PolarHBondContact O-N 3.07Å; F465-A474 HydrophobicContact CE2-CB 4.37Å; A474-K486 CarbonylContact C-O 3.6Å; A474-K486 VanDerWaalsContact CA-O 3.28Å; A474-K486 WeakPolarHBondContact CA-O 3.48Å; A474-K486 WeakPolarHBondContact CB-O 3.28Å
475	S	94.1	Very high	87.4	Confident	12 Å²	12	52.9 Å²	52.9	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.5	167.3	64.8	0	0	0	0	109.6	K486 R488	S475-K486 PolarHBondContact N-O 3.45Å; S475-K486 PolarHBondContact O-N 2.93Å; S475-R488 VanDerWaalsContact OG-CZ 3.31Å; S475-R488 PolarHBondContact OG-NE 3.26Å; S475-R488 PolarHBondContact OG-NH2 3.18Å
476	E	91.1	Very high	87.2	Confident	100 Å²	100	57.6 Å²	57.6	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	152.6	177.4	-160.4	168.1	-120.1	0	0	112.4	K484 Y485	E476-K484 CarbonylContact C-O 3.49Å; E476-K484 HydrophobicContact CG-CG 4.37Å; E476-K484 WeakPolarHBondContact OE1-CE 3.49Å; E476-K484 IonicContact OE1-NZ 3.74Å; E476-K484 PolarHBondContact OE1-NZ 3.33Å; E476-Y485 HydrophobicContact CB-CD1 3.98Å; E476-Y485 HydrophobicContact CB-CE1 3.8Å; E476-Y485 HydrophobicContact CG-CD1 4.21Å; E476-Y485 HydrophobicContact CG-CE1 3.84Å; E476-Y485 PolarHBondContact OE1-OH 2.75Å
477	R	86.9	Confident	86.9	Confident	82 Å²	82	59.5 Å²	59.5	31%	0.309	31%	0.311	S	S	.	.			trans	-116.5	129.8	171.4	-64.7	-167.3	-177.7	106.4	-13.6	109.2	M479 S483 K484 Y485 K486	R477-M479 VanDerWaalsContact C-N 3.27Å; R477-M479 PolarHBondContact O-N 3.33Å; R477-S483 WeakPolarHBondContact CD-O 3.36Å; R477-S483 PolarHBondContact NH1-O 3.07Å; R477-S483 PolarHBondContact NH1-OG 3.13Å; R477-K484 PolarHBondContact N-O 3.27Å; R477-Y485 PolarHBondContact NH1-O 3.38Å; R477-K486 HydrophobicContact CG-CB 4.37Å
478	K	78.9	Confident	86.7	Confident	203 Å²	203	65.6 Å²	65.6	88%	0.883	33%	0.334	S	S	*	.			trans	-88.5	26.8	176.7	-58	-169	177.5	-171.2	0	113.8
479	M	74.9	Confident	86.7	Confident	130 Å²	130	63.8 Å²	63.8	64%	0.64	33%	0.325	S	S	*	.			trans	-114.1	127.2	-178.8	-62.7	-156.3	-51.8	0	0	111.7	R477 V482	R477-M479 VanDerWaalsContact C-N 3.27Å; R477-M479 PolarHBondContact O-N 3.33Å; M479-V482 HydrophobicContact CE-CG2 4.35Å
480	I	62	Low	86.8	Confident	178 Å²	178	62 Å²	62	91%	0.913	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	143.6	176.8	-59.3	170.8	0	0	0	109.3	V482	I480-V482 VanDerWaalsContact C-N 3.32Å; I480-V482 PolarHBondContact O-N 3.37Å
481	G	60.8	Low	86.8	Confident	86 Å²	86	61.3 Å²	61.3	89%	0.887	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	1.4	178.9	0	0	0	0	0	115.6
482	V	69.5	Low	86.7	Confident	70 Å²	70	62.4 Å²	62.4	42%	0.424	32%	0.32	S	S	.	.	S	Bend	trans	-120	152.5	174.2	-176.1	0	0	0	0	108.9	M479 I480 K484	M479-V482 HydrophobicContact CE-CG2 4.35Å; I480-V482 VanDerWaalsContact C-N 3.32Å; I480-V482 PolarHBondContact O-N 3.37Å; V482-K484 PolarHBondContact O-N 3.06Å
483	S	79.1	Confident	86.6	Confident	27 Å²	27	62.5 Å²	62.5	19%	0.189	32%	0.321	C	S	.	.			trans	-56.4	131.1	-178.6	69.6	0	0	0	0	112.2	Q429 L430 G431 R477 Y485	Q429-S483 CarbonylContact O-C 3.43Å; Q429-S483 WeakPolarHBondContact O-CB 3.31Å; L430-S483 PolarHBondContact O-OG 3.07Å; G431-S483 VanDerWaalsContact CA-CB 3.47Å; R477-S483 WeakPolarHBondContact CD-O 3.36Å; R477-S483 PolarHBondContact NH1-O 3.07Å; R477-S483 PolarHBondContact NH1-OG 3.13Å; S483-Y485 PolarHBondContact O-N 3.45Å; S483-Y485 VanDerWaalsContact O-N 3.13Å
484	K	87.3	Confident	86.4	Confident	92 Å²	92	65.9 Å²	65.9	40%	0.4	35%	0.345	S	S	.	.	S	Bend	trans	-53.6	-37.4	-168.8	-174.7	-178.2	178.4	-156.3	0	113	Q429 E476 R477 V482	Q429-K484 HydrophobicContact CB-CB 4.32Å; Q429-K484 HydrophobicContact CG-CB 4.47Å; Q429-K484 PolarHBondContact O-N 3.15Å; E476-K484 CarbonylContact C-O 3.49Å; E476-K484 HydrophobicContact CG-CG 4.37Å; E476-K484 WeakPolarHBondContact OE1-CE 3.49Å; E476-K484 IonicContact OE1-NZ 3.74Å; E476-K484 PolarHBondContact OE1-NZ 3.33Å; R477-K484 PolarHBondContact N-O 3.27Å; V482-K484 PolarHBondContact O-N 3.06Å
485	Y	92.8	Very high	86.1	Confident	7 Å²	7	70.6 Å²	70.6	3%	0.027	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.5	-178.5	-65.6	-71.6	0	0	0	111.8	Q429 F463 F465 E476 R477 S483	Q429-Y485 HydrophobicContact CB-CD2 4.07Å; Q429-Y485 PolarHBondContact O-N 3.42Å; F463-Y485 HydrophobicContact CB-CD1 4.07Å; F463-Y485 HydrophobicContact CB-CE1 3.7Å; F463-Y485 HydrophobicContact CD1-CE1 4.04Å; F463-Y485 HydrophobicContact CD1-CE2 4.33Å; F463-Y485 AromaticContact CD1-CZ 3.86Å; F463-Y485 HydrophobicContact CD2-CE1 4.12Å; F463-Y485 HydrophobicContact CE1-CE2 4.45Å; F463-Y485 HydrophobicContact CG-CD1 4.44Å; F463-Y485 AromaticContact CG-CE1 3.7Å; F463-Y485 HydrophobicContact CG-CE1 3.7Å; F463-Y485 AromaticContact CG-CZ 3.9Å; F465-Y485 HydrophobicContact CE2-CD2 4.09Å; F465-Y485 HydrophobicContact CE2-CG 4.28Å; F465-Y485 AromaticContact CZ-CD2 3.61Å; F465-Y485 HydrophobicContact CZ-CD2 3.61Å; F465-Y485 AromaticContact CZ-CE2 3.73Å; F465-Y485 HydrophobicContact CZ-CE2 3.73Å; F465-Y485 HydrophobicContact CZ-CG 4.23Å; E476-Y485 HydrophobicContact CB-CD1 3.98Å; E476-Y485 HydrophobicContact CB-CE1 3.8Å; E476-Y485 HydrophobicContact CG-CD1 4.21Å; E476-Y485 HydrophobicContact CG-CE1 3.84Å; E476-Y485 PolarHBondContact OE1-OH 2.75Å; R477-Y485 PolarHBondContact NH1-O 3.38Å; S483-Y485 PolarHBondContact O-N 3.45Å; S483-Y485 VanDerWaalsContact O-N 3.13Å
486	K	92.8	Very high	86	Confident	101 Å²	101	70.8 Å²	70.8	44%	0.439	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.6	167.9	-178.7	171.4	-178.8	172.1	0	109.3	A474 S475 R477	A474-K486 CarbonylContact C-O 3.6Å; A474-K486 VanDerWaalsContact CA-O 3.28Å; A474-K486 WeakPolarHBondContact CA-O 3.48Å; A474-K486 WeakPolarHBondContact CB-O 3.28Å; S475-K486 PolarHBondContact N-O 3.45Å; S475-K486 PolarHBondContact O-N 2.93Å; R477-K486 HydrophobicContact CG-CB 4.37Å
487	L	92.6	Very high	85.9	Confident	42 Å²	42	71.4 Å²	71.4	22%	0.22	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	136.8	171.8	-172.8	60.5	0	0	0	111.8	S433 I434 I472 V490	S433-L487 WeakPolarHBondContact O-CD2 3.08Å; I434-L487 HydrophobicContact CB-CD2 4.13Å; I434-L487 HydrophobicContact CG2-CD2 4.36Å; I472-L487 HydrophobicContact CG2-CD1 3.33Å; L487-V490 HydrophobicContact CD1-CG2 3.78Å; L487-V490 HydrophobicContact CD2-CG2 4.38Å; L487-V490 HydrophobicContact CG-CG2 4.48Å
488	R	92.9	Very high	86.1	Confident	128 Å²	128	68.3 Å²	68.3	48%	0.483	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	-41.2	179.5	-61.5	-61.3	-171.6	144.5	6.9	113.9	L473 S475	L473-R488 WeakPolarHBondContact O-CA 3.5Å; L473-R488 WeakPolarHBondContact O-CB 3.37Å; L473-R488 PolarHBondContact O-N 3.47Å; S475-R488 VanDerWaalsContact OG-CZ 3.31Å; S475-R488 PolarHBondContact OG-NE 3.26Å; S475-R488 PolarHBondContact OG-NH2 3.18Å
489	A	92.8	Very high	86.5	Confident	9 Å²	9	59.7 Å²	59.7	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154	174.2	0	0	0	0	0	110.5	L473 F491	L473-A489 HydrophobicContact CB-CB 4.28Å; L473-A489 HydrophobicContact CD1-CB 4.48Å; L473-A489 PolarHBondContact N-O 3.21Å; L473-A489 PolarHBondContact O-N 3.25Å; L473-A489 VanDerWaalsContact O-N 3.07Å; A489-F491 HydrophobicContact CB-CE2 3.93Å; A489-F491 HydrophobicContact CB-CZ 4.37Å
490	V	93.8	Very high	87.1	Confident	16 Å²	16	54.1 Å²	54.1	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.2	171.5	-178.9	0	0	0	0	108.1	I434 L470 V471 L487 D516 R522	I434-V490 HydrophobicContact CD1-CG1 4.38Å; I434-V490 HydrophobicContact CD1-CG2 3.94Å; L470-V490 HydrophobicContact CD1-CG1 4.5Å; V471-V490 CarbonylContact O-C 3.51Å; V471-V490 WeakPolarHBondContact O-CA 3.35Å; L487-V490 HydrophobicContact CD1-CG2 3.78Å; L487-V490 HydrophobicContact CD2-CG2 4.38Å; L487-V490 HydrophobicContact CG-CG2 4.48Å; V490-D516 HydrophobicContact CB-CB 4.06Å; V490-D516 HydrophobicContact CG1-CB 4.03Å; V490-R522 PolarHBondContact O-NH1 2.92Å
491	F	95.6	Very high	88.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.7	175.7	-59.1	-90.9	0	0	0	108.5	L470 V471 L473 A489 M496 L512 S515 R522 V524	L470-F491 CarbonylContact C-O 3.54Å; L470-F491 VanDerWaalsContact CA-O 3.23Å; L470-F491 WeakPolarHBondContact CA-O 3.46Å; L470-F491 WeakPolarHBondContact CB-O 3.45Å; V471-F491 HydrophobicContact CB-CB 4.4Å; V471-F491 PolarHBondContact N-O 2.77Å; V471-F491 PolarHBondContact O-N 3.11Å; L473-F491 HydrophobicContact CD1-CE2 3.96Å; L473-F491 HydrophobicContact CG-CE2 4.26Å; A489-F491 HydrophobicContact CB-CE2 3.93Å; A489-F491 HydrophobicContact CB-CZ 4.37Å; F491-M496 HydrophobicContact CB-CB 4Å; F491-M496 HydrophobicContact CB-CG 4.41Å; F491-M496 HydrophobicContact CB-SD 3.56Å; F491-M496 VanDerWaalsContact CB-SD 3.56Å; F491-L512 HydrophobicContact CD2-CD1 4.32Å; F491-L512 HydrophobicContact CE1-CB 4.21Å; F491-L512 HydrophobicContact CE2-CB 4.14Å; F491-L512 HydrophobicContact CE2-CD1 4.2Å; F491-L512 HydrophobicContact CZ-CB 3.94Å; F491-S515 CarbonylContact C-O 3.48Å; F491-S515 WeakPolarHBondContact CA-O 3.48Å; F491-R522 HydrophobicContact CE1-CB 3.94Å; F491-R522 HydrophobicContact CZ-CB 4.17Å; F491-V524 HydrophobicContact CZ-CB 4.45Å; F491-V524 HydrophobicContact CZ-CG2 3.99Å
492	S	94.2	Very high	89.5	Confident	23 Å²	23	42.9 Å²	42.9	16%	0.161	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	135.5	172.4	163.9	0	0	0	0	109.1	S494 H495 M496 S515	S492-S494 VanDerWaalsContact C-N 3.25Å; S492-S494 PolarHBondContact O-N 2.97Å; S492-H495 CarbonylContact O-C 3.59Å; S492-H495 WeakPolarHBondContact O-CA 3.5Å; S492-H495 PolarHBondContact O-N 2.97Å; S492-H495 PolarHBondContact OG-ND1 3.38Å; S492-H495 VanDerWaalsContact OG-ND1 3.08Å; S492-M496 WeakPolarHBondContact O-CB 3.31Å; S492-M496 WeakPolarHBondContact O-CG 3.37Å; S492-M496 PolarHBondContact O-N 3.35Å; S492-M496 VanDerWaalsContact O-N 3.11Å; S492-S515 PolarHBondContact N-O 2.93Å
493	A	94.4	Very high	90.3	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55.8	-40.1	-178.4	0	0	0	0	0	112.7	D469 H495 M496 I544 A548	D469-A493 VanDerWaalsContact O-CB 3.26Å; D469-A493 WeakPolarHBondContact O-CB 3.34Å; D469-A493 PolarHBondContact O-N 3.49Å; A493-H495 PolarHBondContact O-N 2.69Å; A493-M496 HydrophobicContact CB-CE 4.44Å; A493-I544 HydrophobicContact CB-CB 4.46Å; A493-I544 HydrophobicContact CB-CD1 4.18Å; A493-I544 HydrophobicContact CB-CG1 4.29Å; A493-A548 HydrophobicContact CB-CB 3.73Å
494	S	91.8	Very high	90.8	Very high	75 Å²	75	38.4 Å²	38.4	52%	0.524	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-66.1	-18.4	175.7	-44.5	0	0	0	0	114.4	S492	S492-S494 VanDerWaalsContact C-N 3.25Å; S492-S494 PolarHBondContact O-N 2.97Å
495	H	89.5	Confident	90.8	Very high	100 Å²	100	34.8 Å²	34.8	46%	0.463	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-123.2	16.5	-171.2	-57.9	99.7	0	0	0	113.1	S492 A493 G514 S515	S492-H495 CarbonylContact O-C 3.59Å; S492-H495 WeakPolarHBondContact O-CA 3.5Å; S492-H495 PolarHBondContact O-N 2.97Å; S492-H495 PolarHBondContact OG-ND1 3.38Å; S492-H495 VanDerWaalsContact OG-ND1 3.08Å; A493-H495 PolarHBondContact O-N 2.69Å; H495-G514 WeakPolarHBondContact O-CA 3.23Å; H495-S515 PolarHBondContact O-N 2.87Å
496	M	91.8	Very high	90.5	Very high	15 Å²	15	35.6 Å²	35.6	7%	0.074	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.1	-179.2	78.3	179.5	-171.2	0	0	113.9	V471 F491 S492 A493 R513 I541 I544 I545	V471-M496 HydrophobicContact CB-SD 4.34Å; V471-M496 HydrophobicContact CG2-CE 3.65Å; V471-M496 HydrophobicContact CG2-SD 3.93Å; F491-M496 HydrophobicContact CB-CB 4Å; F491-M496 HydrophobicContact CB-CG 4.41Å; F491-M496 HydrophobicContact CB-SD 3.56Å; F491-M496 VanDerWaalsContact CB-SD 3.56Å; S492-M496 WeakPolarHBondContact O-CB 3.31Å; S492-M496 WeakPolarHBondContact O-CG 3.37Å; S492-M496 PolarHBondContact O-N 3.35Å; S492-M496 VanDerWaalsContact O-N 3.11Å; A493-M496 HydrophobicContact CB-CE 4.44Å; M496-R513 CarbonylContact C-O 3.59Å; M496-R513 VanDerWaalsContact CA-O 3.32Å; M496-R513 WeakPolarHBondContact CA-O 3.34Å; M496-I541 HydrophobicContact CE-CG2 3.79Å; M496-I544 HydrophobicContact CE-CD1 3.63Å; M496-I544 HydrophobicContact CE-CG1 3.92Å; M496-I545 HydrophobicContact CE-CD1 3.79Å; M496-I545 HydrophobicContact CE-CG1 3.44Å; M496-I545 VanDerWaalsContact CE-CG1 3.44Å; M496-I545 HydrophobicContact CG-CD1 3.89Å; M496-I545 HydrophobicContact CG-CG1 3.77Å; M496-I545 HydrophobicContact SD-CG1 4.48Å
497	Q	89.5	Confident	90.3	Very high	114 Å²	114	32.7 Å²	32.7	53%	0.533	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.1	176.1	-176.7	-177.3	12.1	0	0	107.9	C499 R513	Q497-C499 VanDerWaalsContact CD-SG 3.52Å; Q497-R513 PolarHBondContact N-O 3.43Å; Q497-R513 PolarHBondContact O-N 2.82Å
498	V	92.1	Very high	90.2	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.2	165.5	66.8	0	0	0	0	109.3	F510 Y511 L512 V538 I541 F542 I545	V498-F510 HydrophobicContact CG2-CD2 3.91Å; V498-F510 HydrophobicContact CG2-CE2 4.48Å; V498-Y511 WeakPolarHBondContact CA-O 3.44Å; V498-L512 HydrophobicContact CB-CD2 4.18Å; V498-L512 HydrophobicContact CG2-CD2 3.96Å; V498-V538 HydrophobicContact CB-CG1 4.44Å; V498-V538 HydrophobicContact CG1-CG1 3.88Å; V498-V538 HydrophobicContact CG2-CB 4.26Å; V498-V538 HydrophobicContact CG2-CG1 3.68Å; V498-V538 HydrophobicContact CG2-CG2 3.94Å; V498-I541 HydrophobicContact CB-CG2 3.91Å; V498-I541 HydrophobicContact CG1-CG2 4.17Å; V498-I541 HydrophobicContact CG2-CG2 4.31Å; V498-F542 HydrophobicContact CG1-CB 4.41Å; V498-I545 HydrophobicContact CB-CD1 4.48Å; V498-I545 HydrophobicContact CG1-CD1 4.19Å
499	C	86.9	Confident	90.2	Very high	21 Å²	21	26.6 Å²	26.6	14%	0.142	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.8	179.7	-56.9	0	0	0	0	110.9	Q497 F510 Y511	Q497-C499 VanDerWaalsContact CD-SG 3.52Å; C499-F510 CarbonylContact O-C 3.58Å; C499-F510 WeakPolarHBondContact O-CA 3.49Å; C499-F510 WeakPolarHBondContact O-CB 3.46Å; C499-Y511 PolarHBondContact N-O 2.96Å; C499-Y511 PolarHBondContact O-N 3.2Å
500	E	86.1	Confident	90.2	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	150.8	166.2	-72.8	-57.4	145.9	0	0	112	Y511 K534 R640 L643 L644 M695	E500-Y511 WeakPolarHBondContact O-CD2 3.47Å; E500-K534 WeakPolarHBondContact OE2-CE 3.5Å; E500-K534 IonicContact OE2-NZ 2.69Å; E500-K534 PolarHBondContact OE2-NZ 2.65Å; E500-R640 IonicContact OE1-CZ 2.63Å; E500-R640 IonicContact OE1-NH2 3.06Å; E500-R640 PolarHBondContact OE1-NH2 2.58Å; E500-L643 HydrophobicContact CG-CB 4.12Å; E500-L643 HydrophobicContact CG-CD1 4.18Å; E500-L644 HydrophobicContact CG-CG 4.46Å; E500-M695 HydrophobicContact CB-SD 3.91Å; E500-M695 HydrophobicContact CG-SD 4.39Å
501	G	86.6	Confident	90.2	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	14%	0.137	C	C	.	.			trans	-73.7	148.6	171.7	0	0	0	0	0	111.6	S509	G501-S509 PolarHBondContact N-O 3.03Å; G501-S509 VanDerWaalsContact N-O 3.15Å
502	D	86.5	Confident	90.2	Very high	26 Å²	26	26.3 Å²	26.3	14%	0.139	14%	0.137	C	C	.	.			trans	-113.8	26.9	-175.6	66.5	-13	0	0	0	112.4	Y511 M695 R720	D502-Y511 VanDerWaalsContact OD1-CE2 3.28Å; D502-Y511 WeakPolarHBondContact OD1-CE2 3.45Å; D502-Y511 PolarHBondContact OD1-OH 2.94Å; D502-M695 CarbonylContact C-O 3.53Å; D502-M695 WeakPolarHBondContact CA-O 3.39Å; D502-R720 IonicContact OD1-CZ 3.01Å; D502-R720 IonicContact OD1-NH1 2.71Å; D502-R720 PolarHBondContact OD1-NH1 2.98Å; D502-R720 IonicContact OD1-NH2 3.2Å; D502-R720 PolarHBondContact OD1-NH2 3.4Å; D502-R720 VanDerWaalsContact OD1-NH2 3.12Å; D502-R720 IonicContact OD2-CZ 2.77Å; D502-R720 IonicContact OD2-NH1 3.95Å; D502-R720 IonicContact OD2-NH2 3.61Å; D502-R720 PolarHBondContact OD2-NH2 2.85Å
503	N	87.9	Confident	90.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	15%	0.146	C	C	.	.			trans	-117.1	108.4	-169.2	-167.8	-14.6	0	0	0	111.9	E505 R506 E525 Y722	N503-E505 VanDerWaalsContact C-N 3.34Å; N503-E505 PolarHBondContact O-N 3.02Å; N503-E505 PolarHBondContact OD1-N 2.88Å; N503-R506 HydrophobicContact CB-CB 4.13Å; N503-R506 CarbonylContact O-C 3.55Å; N503-R506 VanDerWaalsContact O-C 3.23Å; N503-R506 WeakPolarHBondContact O-CA 3.5Å; N503-R506 PolarHBondContact O-N 3.09Å; N503-E525 PolarHBondContact ND2-OE1 2.93Å; N503-Y722 PolarHBondContact OD1-OH 3.28Å
504	L	89.4	Confident	89.9	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.7	-171.6	-55.8	-177.5	0	0	0	114.4	R506 F661 M681 T683 A694 L696 Y722	L504-R506 VanDerWaalsContact C-N 3.29Å; L504-F661 HydrophobicContact CB-CE2 3.66Å; L504-F661 HydrophobicContact CB-CZ 3.88Å; L504-F661 WeakPolarHBondContact O-CZ 3.37Å; L504-M681 HydrophobicContact CD1-CE 3.55Å; L504-T683 HydrophobicContact CD2-CG2 3.86Å; L504-A694 HydrophobicContact CD2-CB 4.24Å; L504-L696 HydrophobicContact CD1-CB 4.28Å; L504-L696 HydrophobicContact CD1-CD2 3.93Å; L504-L696 HydrophobicContact CD2-CB 3.73Å; L504-L696 HydrophobicContact CG-CB 4.11Å; L504-L696 HydrophobicContact CG-CD2 4.35Å; L504-Y722 HydrophobicContact CB-CD1 4.27Å; L504-Y722 HydrophobicContact CB-CE1 3.89Å; L504-Y722 HydrophobicContact CB-CE2 4.39Å; L504-Y722 HydrophobicContact CD1-CD2 3.95Å; L504-Y722 HydrophobicContact CD1-CE2 4.1Å; L504-Y722 HydrophobicContact CD1-CG 4.19Å; L504-Y722 HydrophobicContact CG-CD2 4.42Å; L504-Y722 HydrophobicContact CG-CE1 4.46Å; L504-Y722 HydrophobicContact CG-CE2 4.07Å; L504-Y722 PolarHBondContact N-OH 2.8Å
505	E	87.6	Confident	89.9	Confident	16 Å²	16	26.8 Å²	26.8	8%	0.075	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.3	172.2	-71.5	-176.5	125.8	0	0	112.8	N503 F661 G663 S664 L665 K667 L669 Y722	N503-E505 VanDerWaalsContact C-N 3.34Å; N503-E505 PolarHBondContact O-N 3.02Å; N503-E505 PolarHBondContact OD1-N 2.88Å; E505-F661 HydrophobicContact CG-CE2 4.09Å; E505-G663 VanDerWaalsContact CD-N 3.25Å; E505-G663 VanDerWaalsContact OE1-CA 3.3Å; E505-G663 WeakPolarHBondContact OE1-CA 3.38Å; E505-G663 PolarHBondContact OE1-N 3.43Å; E505-G663 WeakPolarHBondContact OE2-CA 3.28Å; E505-S664 PolarHBondContact OE2-N 3.29Å; E505-L665 HydrophobicContact CB-CD1 4.05Å; E505-L665 WeakPolarHBondContact OE2-CB 3.45Å; E505-L665 WeakPolarHBondContact OE2-CG 3.37Å; E505-L665 PolarHBondContact OE2-N 2.64Å; E505-K667 PolarHBondContact OE1-N 2.85Å; E505-L669 HydrophobicContact CB-CD1 4.49Å; E505-L669 HydrophobicContact CG-CD1 4.23Å; E505-Y722 HydrophobicContact CG-CE1 4.21Å
506	R	86.6	Confident	89.8	Confident	24 Å²	24	24.4 Å²	24.4	9%	0.091	12%	0.119	C	C	.	.			trans	-132	76.1	-177.4	-66	-165.1	179.1	117.7	-2.9	112.1	I452 E457 N503 L504 S509 L665	I452-R506 VanDerWaalsContact CD1-CD 3.41Å; E457-R506 PolarHBondContact O-NH1 2.84Å; E457-R506 PolarHBondContact O-NH2 3.1Å; N503-R506 HydrophobicContact CB-CB 4.13Å; N503-R506 CarbonylContact O-C 3.55Å; N503-R506 VanDerWaalsContact O-C 3.23Å; N503-R506 WeakPolarHBondContact O-CA 3.5Å; N503-R506 PolarHBondContact O-N 3.09Å; L504-R506 VanDerWaalsContact C-N 3.29Å; R506-S509 VanDerWaalsContact O-CB 3.31Å; R506-S509 WeakPolarHBondContact O-CB 3.19Å; R506-S509 PolarHBondContact O-N 2.79Å; R506-S509 PolarHBondContact O-OG 2.9Å; R506-L665 HydrophobicContact CG-CD1 4.21Å
507	E	87.3	Confident	89.3	Confident	40 Å²	40	25.1 Å²	25.1	19%	0.187	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.5	154.5	152.4	-50.3	175.6	178.7	0	0	110.3	S509 F527 R671 L693	E507-S509 PolarHBondContact O-N 3.3Å; E507-F527 VanDerWaalsContact O-CD2 3.29Å; E507-F527 WeakPolarHBondContact O-CD2 3.43Å; E507-F527 WeakPolarHBondContact O-CE2 3.27Å; E507-R671 IonicContact OE1-CZ 3.95Å; E507-R671 IonicContact OE1-NE 2.75Å; E507-R671 PolarHBondContact OE1-NE 3.21Å; E507-R671 VanDerWaalsContact OE1-NE 3.1Å; E507-R671 IonicContact OE1-NH2 3.16Å; E507-R671 PolarHBondContact OE1-NH2 3.5Å; E507-R671 IonicContact OE2-NH2 3.66Å; E507-L693 HydrophobicContact CG-CB 3.89Å
508	H	90.8	Very high	88.7	Confident	38 Å²	38	26.7 Å²	26.7	18%	0.176	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	14	-179.9	-39.2	150.5	0	0	0	116.3	F527 T528 P529 Q531 K534	H508-F527 HydrophobicContact CB-CD2 4.29Å; H508-F527 HydrophobicContact CB-CE2 4.13Å; H508-T528 VanDerWaalsContact CB-O 3.26Å; H508-T528 WeakPolarHBondContact CB-O 3.39Å; H508-T528 PolarHBondContact O-N 3.36Å; H508-P529 PolarHBondContact CE1-O 2.74Å; H508-P529 PolarHBondContact ND1-O 2.73Å; H508-Q531 VanDerWaalsContact CD2-CB 3.5Å; H508-Q531 WeakPolarHBondContact CD2-CB 3.42Å; H508-Q531 PolarHBondContact CD2-N 2.91Å; H508-Q531 PolarHBondContact CD2-OE1 2.91Å; H508-Q531 PolarHBondContact NE2-N 2.82Å; H508-K534 HydrophobicContact CB-CD 4.47Å
509	S	92.6	Very high	87.8	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	153.5	172.4	60.2	0	0	0	0	113.5	G501 R506 E507 L526 K534	G501-S509 PolarHBondContact N-O 3.03Å; G501-S509 VanDerWaalsContact N-O 3.15Å; R506-S509 VanDerWaalsContact O-CB 3.31Å; R506-S509 WeakPolarHBondContact O-CB 3.19Å; R506-S509 PolarHBondContact O-N 2.79Å; R506-S509 PolarHBondContact O-OG 2.9Å; E507-S509 PolarHBondContact O-N 3.3Å; S509-L526 CarbonylContact C-O 3.52Å; S509-L526 VanDerWaalsContact CA-O 3.25Å; S509-L526 WeakPolarHBondContact CA-O 3.3Å; S509-K534 VanDerWaalsContact O-CE 3.31Å; S509-K534 WeakPolarHBondContact O-CE 3.4Å; S509-K534 PolarHBondContact O-NZ 2.75Å
510	F	94.1	Very high	87.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160	174.4	68.7	-86.9	0	0	0	112	V498 C499 L512 L526 T528 K534 W537 V538 I541	V498-F510 HydrophobicContact CG2-CD2 3.91Å; V498-F510 HydrophobicContact CG2-CE2 4.48Å; C499-F510 CarbonylContact O-C 3.58Å; C499-F510 WeakPolarHBondContact O-CA 3.49Å; C499-F510 WeakPolarHBondContact O-CB 3.46Å; F510-L512 HydrophobicContact CE2-CD2 4.27Å; F510-L512 HydrophobicContact CE2-CG 4.4Å; F510-L526 HydrophobicContact CD1-CB 4.3Å; F510-L526 HydrophobicContact CD2-CB 4.38Å; F510-L526 HydrophobicContact CE1-CB 3.94Å; F510-L526 HydrophobicContact CE2-CB 4.04Å; F510-L526 HydrophobicContact CE2-CD1 3.77Å; F510-L526 HydrophobicContact CE2-CG 4.44Å; F510-L526 HydrophobicContact CZ-CB 3.81Å; F510-L526 HydrophobicContact CZ-CD1 3.83Å; F510-L526 HydrophobicContact CZ-CG 4.46Å; F510-L526 PolarHBondContact N-O 3.49Å; F510-L526 PolarHBondContact O-N 3.48Å; F510-T528 HydrophobicContact CE1-CG2 4.35Å; F510-K534 HydrophobicContact CD1-CG 4.19Å; F510-W537 HydrophobicContact CZ-CB 4.15Å; F510-V538 HydrophobicContact CB-CG2 3.85Å; F510-V538 HydrophobicContact CD1-CG2 3.91Å; F510-V538 HydrophobicContact CD2-CG2 3.59Å; F510-V538 HydrophobicContact CE1-CG2 4.3Å; F510-V538 HydrophobicContact CE2-CG2 4Å; F510-V538 HydrophobicContact CG-CG2 3.53Å; F510-V538 HydrophobicContact CZ-CG2 4.34Å; F510-I541 HydrophobicContact CE2-CD1 4.39Å
511	Y	93.5	Very high	87.4	Confident	19 Å²	19	39 Å²	39	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.8	178.9	-75.8	-80.5	0	0	0	113.2	V498 C499 E500 D502 C523 V524 E525	V498-Y511 WeakPolarHBondContact CA-O 3.44Å; C499-Y511 PolarHBondContact N-O 2.96Å; C499-Y511 PolarHBondContact O-N 3.2Å; E500-Y511 WeakPolarHBondContact O-CD2 3.47Å; D502-Y511 VanDerWaalsContact OD1-CE2 3.28Å; D502-Y511 WeakPolarHBondContact OD1-CE2 3.45Å; D502-Y511 PolarHBondContact OD1-OH 2.94Å; Y511-C523 VanDerWaalsContact CD1-SG 3.57Å; Y511-V524 WeakPolarHBondContact CA-O 3.45Å; Y511-E525 HydrophobicContact CD1-CB 3.94Å; Y511-E525 HydrophobicContact CD1-CG 4.38Å; Y511-E525 HydrophobicContact CE1-CB 3.49Å; Y511-E525 VanDerWaalsContact CE1-CB 3.49Å; Y511-E525 HydrophobicContact CE1-CG 3.82Å; Y511-E525 HydrophobicContact CE2-CG 4.47Å; Y511-E525 PolarHBondContact OH-OE2 3.16Å
512	L	95.3	Very high	87.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.9	156.7	-61	-177.1	0	0	0	109.8	V471 F491 V498 F510 C523 V524 L526 I541	V471-L512 HydrophobicContact CG1-CD1 4.07Å; F491-L512 HydrophobicContact CD2-CD1 4.32Å; F491-L512 HydrophobicContact CE1-CB 4.21Å; F491-L512 HydrophobicContact CE2-CB 4.14Å; F491-L512 HydrophobicContact CE2-CD1 4.2Å; F491-L512 HydrophobicContact CZ-CB 3.94Å; V498-L512 HydrophobicContact CB-CD2 4.18Å; V498-L512 HydrophobicContact CG2-CD2 3.96Å; F510-L512 HydrophobicContact CE2-CD2 4.27Å; F510-L512 HydrophobicContact CE2-CG 4.4Å; L512-C523 WeakPolarHBondContact O-CA 3.42Å; L512-V524 PolarHBondContact N-O 2.89Å; L512-V524 PolarHBondContact O-N 3.43Å; L512-L526 HydrophobicContact CD1-CD1 3.73Å; L512-L526 HydrophobicContact CG-CD1 3.99Å; L512-I541 HydrophobicContact CD2-CD1 4.14Å; L512-I541 HydrophobicContact CD2-CG2 3.96Å
513	R	91.1	Very high	87.6	Confident	92 Å²	92	44.8 Å²	44.8	35%	0.347	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.3	-177.3	-55.5	-174.2	178.1	170.7	1.4	109.1	M496 Q497 R522	M496-R513 CarbonylContact C-O 3.59Å; M496-R513 VanDerWaalsContact CA-O 3.32Å; M496-R513 WeakPolarHBondContact CA-O 3.34Å; Q497-R513 PolarHBondContact N-O 3.43Å; Q497-R513 PolarHBondContact O-N 2.82Å; R513-R522 WeakPolarHBondContact CA-O 3.39Å
514	G	91.4	Very high	87.7	Confident	9 Å²	9	45.9 Å²	45.9	9%	0.093	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-169.1	-177.1	0	0	0	0	0	114.3	H495 K521 R522	H495-G514 WeakPolarHBondContact O-CA 3.23Å; G514-K521 CarbonylContact O-C 3.5Å; G514-K521 WeakPolarHBondContact O-CA 3.31Å; G514-R522 PolarHBondContact N-O 3.42Å; G514-R522 PolarHBondContact O-N 3.01Å
515	S	90.5	Very high	87.9	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.063	26%	0.255	C	S	.	.			trans	-133.5	176.2	171.5	66.8	0	0	0	0	111.4	F491 S492 H495 G517 G519	F491-S515 CarbonylContact C-O 3.48Å; F491-S515 WeakPolarHBondContact CA-O 3.48Å; S492-S515 PolarHBondContact N-O 2.93Å; H495-S515 PolarHBondContact O-N 2.87Å; S515-G517 PolarHBondContact O-N 3.03Å; S515-G517 PolarHBondContact OG-N 3.22Å; S515-G519 VanDerWaalsContact CB-O 3.27Å; S515-G519 WeakPolarHBondContact CB-O 3.5Å
516	D	87.6	Confident	88.3	Confident	51 Å²	51	46 Å²	46	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-75.5	8.9	167.5	37.7	35.8	0	0	0	112.9	V490 G519 R522	V490-D516 HydrophobicContact CB-CB 4.06Å; V490-D516 HydrophobicContact CG1-CB 4.03Å; D516-G519 WeakPolarHBondContact OD1-CA 3.13Å; D516-G519 PolarHBondContact OD1-N 3.47Å; D516-R522 IonicContact OD2-CZ 3.26Å; D516-R522 VanDerWaalsContact OD2-CZ 3.24Å; D516-R522 IonicContact OD2-NH1 3.55Å; D516-R522 PolarHBondContact OD2-NH1 3.22Å; D516-R522 IonicContact OD2-NH2 2.79Å; D516-R522 PolarHBondContact OD2-NH2 2.85Å
517	G	82.6	Confident	88.6	Confident	29 Å²	29	47.3 Å²	47.3	30%	0.299	26%	0.258	S	S	.	.	S	Bend	trans	101.8	-49.8	179.5	0	0	0	0	0	112.9	S515	S515-G517 PolarHBondContact O-N 3.03Å; S515-G517 PolarHBondContact OG-N 3.22Å
518	T	75.6	Confident	88.9	Confident	147 Å²	147	45.5 Å²	45.5	90%	0.902	25%	0.249	S	C	*	.	S	Bend	trans	-104.8	-22.5	-178.9	53.4	0	0	0	0	114.2
519	G	73.3	Confident	89	Confident	28 Å²	28	48 Å²	48	29%	0.289	27%	0.269	S	S	.	.	S	Bend	trans	-90.1	-177.7	-178.6	0	0	0	0	0	114.9	S515 D516	S515-G519 VanDerWaalsContact CB-O 3.27Å; S515-G519 WeakPolarHBondContact CB-O 3.5Å; D516-G519 WeakPolarHBondContact OD1-CA 3.13Å; D516-G519 PolarHBondContact OD1-N 3.47Å
520	P	79.9	Confident	88.9	Confident	93 Å²	93	50.7 Å²	50.7	60%	0.604	29%	0.286	S	S	*	.			trans	-65.8	147.2	-175.6	28	-35.6	0	0	0	112.2	R522	P520-R522 PolarHBondContact O-N 3.39Å
521	K	85.6	Confident	88.5	Confident	190 Å²	190	52.7 Å²	52.7	83%	0.826	30%	0.295	S	S	*	.			trans	-66.3	129.6	172.1	-68.7	178.7	-179.2	174.6	0	110.2	G514	G514-K521 CarbonylContact O-C 3.5Å; G514-K521 WeakPolarHBondContact O-CA 3.31Å
522	R	86.3	Confident	88.3	Confident	73 Å²	73	58.9 Å²	58.9	28%	0.275	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.6	178.3	-55.6	178.2	-172.5	106.3	5.7	109	V490 F491 R513 G514 D516 P520	V490-R522 PolarHBondContact O-NH1 2.92Å; F491-R522 HydrophobicContact CE1-CB 3.94Å; F491-R522 HydrophobicContact CZ-CB 4.17Å; R513-R522 WeakPolarHBondContact CA-O 3.39Å; G514-R522 PolarHBondContact N-O 3.42Å; G514-R522 PolarHBondContact O-N 3.01Å; D516-R522 IonicContact OD2-CZ 3.26Å; D516-R522 VanDerWaalsContact OD2-CZ 3.24Å; D516-R522 IonicContact OD2-NH1 3.55Å; D516-R522 PolarHBondContact OD2-NH1 3.22Å; D516-R522 IonicContact OD2-NH2 2.79Å; D516-R522 PolarHBondContact OD2-NH2 2.85Å; P520-R522 PolarHBondContact O-N 3.39Å
523	C	89.9	Confident	88.2	Confident	77 Å²	77	62 Å²	62	52%	0.52	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.2	169.7	-175.9	0	0	0	0	107.1	Y511 L512	Y511-C523 VanDerWaalsContact CD1-SG 3.57Å; L512-C523 WeakPolarHBondContact O-CA 3.42Å
524	V	91.8	Very high	88.3	Confident	25 Å²	25	57.8 Å²	57.8	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.5	-178.5	-178.5	0	0	0	0	108.9	K451 L473 F491 Y511 L512 L526	K451-V524 HydrophobicContact CG-CG1 3.91Å; L473-V524 HydrophobicContact CD1-CB 4.31Å; L473-V524 HydrophobicContact CD1-CG1 3.9Å; L473-V524 HydrophobicContact CD1-CG2 4.36Å; F491-V524 HydrophobicContact CZ-CB 4.45Å; F491-V524 HydrophobicContact CZ-CG2 3.99Å; Y511-V524 WeakPolarHBondContact CA-O 3.45Å; L512-V524 PolarHBondContact N-O 2.89Å; L512-V524 PolarHBondContact O-N 3.43Å; V524-L526 HydrophobicContact CG1-CD2 3.8Å; V524-L526 HydrophobicContact CG1-CG 4.28Å
525	E	92.9	Very high	88.2	Confident	18 Å²	18	59.4 Å²	59.4	8%	0.084	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.5	171	-164.6	-176.9	160.2	0	0	108.7	I452 N503 Y511	I452-E525 HydrophobicContact CB-CB 4.06Å; I452-E525 HydrophobicContact CB-CG 4.13Å; I452-E525 HydrophobicContact CD1-CG 3.86Å; I452-E525 WeakPolarHBondContact CD1-OE1 3.49Å; I452-E525 PolarHBondContact N-O 3.16Å; N503-E525 PolarHBondContact ND2-OE1 2.93Å; Y511-E525 HydrophobicContact CD1-CB 3.94Å; Y511-E525 HydrophobicContact CD1-CG 4.38Å; Y511-E525 HydrophobicContact CE1-CB 3.49Å; Y511-E525 VanDerWaalsContact CE1-CB 3.49Å; Y511-E525 HydrophobicContact CE1-CG 3.82Å; Y511-E525 HydrophobicContact CE2-CG 4.47Å; Y511-E525 PolarHBondContact OH-OE2 3.16Å
526	L	95.6	Very high	88.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.7	179.1	-62.6	-177.5	0	0	0	109.7	V449 Q450 K451 I464 L473 S509 F510 L512 V524	V449-L526 HydrophobicContact CG1-CD1 4.49Å; V449-L526 HydrophobicContact CG1-CD2 3.99Å; V449-L526 HydrophobicContact CG2-CB 4.01Å; V449-L526 HydrophobicContact CG2-CD1 4.44Å; V449-L526 HydrophobicContact CG2-CD2 4.39Å; Q450-L526 CarbonylContact O-C 3.5Å; Q450-L526 WeakPolarHBondContact O-CA 3.2Å; K451-L526 HydrophobicContact CB-CD2 3.96Å; I464-L526 HydrophobicContact CD1-CD1 4.2Å; L473-L526 HydrophobicContact CD1-CD2 4.33Å; L473-L526 HydrophobicContact CD2-CD1 4.27Å; S509-L526 CarbonylContact C-O 3.52Å; S509-L526 VanDerWaalsContact CA-O 3.25Å; S509-L526 WeakPolarHBondContact CA-O 3.3Å; F510-L526 HydrophobicContact CD1-CB 4.3Å; F510-L526 HydrophobicContact CD2-CB 4.38Å; F510-L526 HydrophobicContact CE1-CB 3.94Å; F510-L526 HydrophobicContact CE2-CB 4.04Å; F510-L526 HydrophobicContact CE2-CD1 3.77Å; F510-L526 HydrophobicContact CE2-CG 4.44Å; F510-L526 HydrophobicContact CZ-CB 3.81Å; F510-L526 HydrophobicContact CZ-CD1 3.83Å; F510-L526 HydrophobicContact CZ-CG 4.46Å; F510-L526 PolarHBondContact N-O 3.49Å; F510-L526 PolarHBondContact O-N 3.48Å; L512-L526 HydrophobicContact CD1-CD1 3.73Å; L512-L526 HydrophobicContact CG-CD1 3.99Å; V524-L526 HydrophobicContact CG1-CD2 3.8Å; V524-L526 HydrophobicContact CG1-CG 4.28Å
527	F	93.4	Very high	88.7	Confident	53 Å²	53	60.6 Å²	60.6	23%	0.232	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.5	-179.1	165.4	-100.1	0	0	0	110.2	V449 Q450 I452 E507 H508	V449-F527 WeakPolarHBondContact CG2-O 3.35Å; Q450-F527 HydrophobicContact CB-CB 4.37Å; Q450-F527 HydrophobicContact CB-CD1 3.97Å; Q450-F527 HydrophobicContact CG-CD1 4.25Å; Q450-F527 PolarHBondContact N-O 3.37Å; Q450-F527 VanDerWaalsContact N-O 3.08Å; Q450-F527 PolarHBondContact O-N 3.17Å; I452-F527 HydrophobicContact CD1-CB 3.83Å; I452-F527 HydrophobicContact CG1-CB 4.41Å; E507-F527 VanDerWaalsContact O-CD2 3.29Å; E507-F527 WeakPolarHBondContact O-CD2 3.43Å; E507-F527 WeakPolarHBondContact O-CE2 3.27Å; H508-F527 HydrophobicContact CB-CD2 4.29Å; H508-F527 HydrophobicContact CB-CE2 4.13Å
528	T	94.5	Very high	89.2	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	32%	0.318	C	S	.	.			trans	-119.1	149.8	172.5	52.9	0	0	0	0	110.5	V449 H508 F510 T530 E533 K534	V449-T528 HydrophobicContact CG2-CG2 4.28Å; H508-T528 VanDerWaalsContact CB-O 3.26Å; H508-T528 WeakPolarHBondContact CB-O 3.39Å; H508-T528 PolarHBondContact O-N 3.36Å; F510-T528 HydrophobicContact CE1-CG2 4.35Å; T528-T530 VanDerWaalsContact C-N 3.28Å; T528-T530 PolarHBondContact O-N 3.1Å; T528-T530 PolarHBondContact OG1-O 3.12Å; T528-E533 HydrophobicContact CG2-CB 3.91Å; T528-K534 WeakPolarHBondContact OG1-CB 3.14Å; T528-K534 PolarHBondContact OG1-N 3.3Å
529	P	91.1	Very high	90.1	Very high	90 Å²	90	55.6 Å²	55.6	58%	0.584	29%	0.293	S	S	*	.	S	Bend	trans	-52.9	-42.6	175.3	-27.2	35	0	0	0	113.6	H508 E533	H508-P529 PolarHBondContact CE1-O 2.74Å; H508-P529 PolarHBondContact ND1-O 2.73Å; P529-E533 WeakPolarHBondContact CD-OE2 3.12Å
530	T	90.7	Very high	91.1	Very high	61 Å²	61	56.4 Å²	56.4	37%	0.374	29%	0.294	S	S	.	.	S	Bend	trans	-115.5	153.8	-178.4	69	0	0	0	0	114	T528 K532 E533 K534	T528-T530 VanDerWaalsContact C-N 3.28Å; T528-T530 PolarHBondContact O-N 3.1Å; T528-T530 PolarHBondContact OG1-O 3.12Å; T530-K532 PolarHBondContact O-N 3.02Å; T530-E533 WeakPolarHBondContact CB-OE1 3.26Å; T530-E533 WeakPolarHBondContact CG2-OE1 3.47Å; T530-E533 PolarHBondContact N-OE1 3.48Å; T530-E533 VanDerWaalsContact N-OE1 3.13Å; T530-E533 PolarHBondContact O-N 3.15Å; T530-E533 VanDerWaalsContact OG1-CG 3.32Å; T530-E533 WeakPolarHBondContact OG1-CG 3.28Å; T530-E533 PolarHBondContact OG1-N 3.26Å; T530-E533 VanDerWaalsContact OG1-N 3.14Å; T530-E533 PolarHBondContact OG1-OE1 3.23Å; T530-K534 PolarHBondContact O-N 3.01Å
531	Q	86.6	Confident	91.9	Very high	41 Å²	41	52 Å²	52	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-31.1	169.3	-175.9	59.4	39.4	0	0	112.2	H508 K534 N535	H508-Q531 VanDerWaalsContact CD2-CB 3.5Å; H508-Q531 WeakPolarHBondContact CD2-CB 3.42Å; H508-Q531 PolarHBondContact CD2-N 2.91Å; H508-Q531 PolarHBondContact CD2-OE1 2.91Å; H508-Q531 PolarHBondContact NE2-N 2.82Å; Q531-K534 WeakPolarHBondContact O-CB 3.5Å; Q531-K534 PolarHBondContact O-N 3.26Å; Q531-N535 PolarHBondContact NE2-OD1 3.42Å; Q531-N535 PolarHBondContact O-N 3.46Å; Q531-N535 PolarHBondContact O-OD1 3.45Å
532	K	88.3	Confident	92.3	Very high	149 Å²	149	45.7 Å²	45.7	65%	0.648	24%	0.238	S	C	*	.	H	α-helix	trans	-62.3	-52	176.6	-176.7	-177.8	174.3	-176.6	0	110.7	T530 K534 N535 D536	T530-K532 PolarHBondContact O-N 3.02Å; K532-K534 VanDerWaalsContact C-N 3.26Å; K532-K534 PolarHBondContact O-N 3.47Å; K532-N535 PolarHBondContact O-N 3.02Å; K532-N535 VanDerWaalsContact O-N 3.12Å; K532-D536 WeakPolarHBondContact O-CB 3.41Å; K532-D536 PolarHBondContact O-N 3.25Å
533	E	93.6	Very high	92.6	Very high	67 Å²	67	44.9 Å²	44.9	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-37.9	177	-72.5	162.8	-91.4	0	0	112.4	T528 P529 T530 D536 W537	T528-E533 HydrophobicContact CG2-CB 3.91Å; P529-E533 WeakPolarHBondContact CD-OE2 3.12Å; T530-E533 WeakPolarHBondContact CB-OE1 3.26Å; T530-E533 WeakPolarHBondContact CG2-OE1 3.47Å; T530-E533 PolarHBondContact N-OE1 3.48Å; T530-E533 VanDerWaalsContact N-OE1 3.13Å; T530-E533 PolarHBondContact O-N 3.15Å; T530-E533 VanDerWaalsContact OG1-CG 3.32Å; T530-E533 WeakPolarHBondContact OG1-CG 3.28Å; T530-E533 PolarHBondContact OG1-N 3.26Å; T530-E533 VanDerWaalsContact OG1-N 3.14Å; T530-E533 PolarHBondContact OG1-OE1 3.23Å; E533-D536 PolarHBondContact O-N 3.43Å; E533-W537 WeakPolarHBondContact O-CB 3.49Å; E533-W537 PolarHBondContact O-N 3.06Å
534	K	92.6	Very high	92.9	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-51.1	173.3	163.6	172.9	168.4	178.6	0	111.2	E500 H508 S509 F510 T528 T530 Q531 K532 W537 V538	E500-K534 WeakPolarHBondContact OE2-CE 3.5Å; E500-K534 IonicContact OE2-NZ 2.69Å; E500-K534 PolarHBondContact OE2-NZ 2.65Å; H508-K534 HydrophobicContact CB-CD 4.47Å; S509-K534 VanDerWaalsContact O-CE 3.31Å; S509-K534 WeakPolarHBondContact O-CE 3.4Å; S509-K534 PolarHBondContact O-NZ 2.75Å; F510-K534 HydrophobicContact CD1-CG 4.19Å; T528-K534 WeakPolarHBondContact OG1-CB 3.14Å; T528-K534 PolarHBondContact OG1-N 3.3Å; T530-K534 PolarHBondContact O-N 3.01Å; Q531-K534 WeakPolarHBondContact O-CB 3.5Å; Q531-K534 PolarHBondContact O-N 3.26Å; K532-K534 VanDerWaalsContact C-N 3.26Å; K532-K534 PolarHBondContact O-N 3.47Å; K534-W537 PolarHBondContact O-N 3.45Å; K534-V538 HydrophobicContact CG-CG2 4.21Å; K534-V538 WeakPolarHBondContact O-CB 3.26Å; K534-V538 VanDerWaalsContact O-CG2 3.27Å; K534-V538 WeakPolarHBondContact O-CG2 3.31Å; K534-V538 PolarHBondContact O-N 3.24Å
535	N	90.1	Very high	92.9	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.23	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-52.4	177.3	-67	-8.7	0	0	0	110.3	Q531 K532 W537 V538 D539	Q531-N535 PolarHBondContact NE2-OD1 3.42Å; Q531-N535 PolarHBondContact O-N 3.46Å; Q531-N535 PolarHBondContact O-OD1 3.45Å; K532-N535 PolarHBondContact O-N 3.02Å; K532-N535 VanDerWaalsContact O-N 3.12Å; N535-W537 PolarHBondContact O-N 3.48Å; N535-V538 PolarHBondContact O-N 2.94Å; N535-D539 VanDerWaalsContact O-CB 3.27Å; N535-D539 WeakPolarHBondContact O-CB 3.48Å; N535-D539 PolarHBondContact O-N 2.85Å
536	D	93.1	Very high	92.8	Very high	73 Å²	73	41.5 Å²	41.5	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-56.4	-28.2	179.1	-66	-10.7	0	0	0	112.7	K445 K532 E533 S540	K445-D536 PolarHBondContact NZ-O 3.1Å; K532-D536 WeakPolarHBondContact O-CB 3.41Å; K532-D536 PolarHBondContact O-N 3.25Å; E533-D536 PolarHBondContact O-N 3.43Å; D536-S540 PolarHBondContact O-OG 2.77Å
537	W	95.8	Very high	92.5	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.045	24%	0.238	C	C	.	.	H	α-helix	trans	-84.9	-52.6	173.6	-85.9	117.7	0	0	0	112.7	K445 I464 L466 F510 E533 K534 N535 D539 S540 I541	K445-W537 HydrophobicContact CB-CH2 4.24Å; K445-W537 HydrophobicContact CB-CZ3 4.04Å; K445-W537 HydrophobicContact CD-CD2 4.14Å; K445-W537 HydrophobicContact CD-CE3 3.77Å; K445-W537 HydrophobicContact CD-CH2 3.9Å; K445-W537 HydrophobicContact CD-CZ2 4.25Å; K445-W537 HydrophobicContact CD-CZ3 3.64Å; K445-W537 HydrophobicContact CG-CE3 4.45Å; K445-W537 HydrophobicContact CG-CH2 3.73Å; K445-W537 HydrophobicContact CG-CZ2 4.31Å; K445-W537 HydrophobicContact CG-CZ3 3.82Å; I464-W537 HydrophobicContact CB-CH2 3.72Å; I464-W537 HydrophobicContact CB-CZ2 4.24Å; I464-W537 HydrophobicContact CB-CZ3 3.99Å; I464-W537 HydrophobicContact CD1-CD2 4.06Å; I464-W537 HydrophobicContact CD1-CE3 4.08Å; I464-W537 HydrophobicContact CD1-CH2 4.27Å; I464-W537 HydrophobicContact CD1-CZ2 4.24Å; I464-W537 HydrophobicContact CD1-CZ3 4.19Å; I464-W537 HydrophobicContact CG1-CH2 4.41Å; I464-W537 HydrophobicContact CG2-CE3 4.45Å; I464-W537 HydrophobicContact CG2-CH2 4.01Å; I464-W537 HydrophobicContact CG2-CZ3 3.77Å; L466-W537 HydrophobicContact CB-CZ3 4.14Å; F510-W537 HydrophobicContact CZ-CB 4.15Å; E533-W537 WeakPolarHBondContact O-CB 3.49Å; E533-W537 PolarHBondContact O-N 3.06Å; K534-W537 PolarHBondContact O-N 3.45Å; N535-W537 PolarHBondContact O-N 3.48Å; W537-D539 VanDerWaalsContact C-N 3.31Å; W537-D539 PolarHBondContact O-N 3.29Å; W537-S540 PolarHBondContact O-N 3.26Å; W537-I541 HydrophobicContact CE3-CD1 4.36Å; W537-I541 WeakPolarHBondContact O-CB 3.43Å; W537-I541 WeakPolarHBondContact O-CD1 3.49Å; W537-I541 WeakPolarHBondContact O-CG1 3.43Å; W537-I541 PolarHBondContact O-N 3.33Å
538	V	93.8	Very high	92.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-37.3	-174.8	173.6	0	0	0	0	111.3	V498 F510 K534 N535 I541 F542	V498-V538 HydrophobicContact CB-CG1 4.44Å; V498-V538 HydrophobicContact CG1-CG1 3.88Å; V498-V538 HydrophobicContact CG2-CB 4.26Å; V498-V538 HydrophobicContact CG2-CG1 3.68Å; V498-V538 HydrophobicContact CG2-CG2 3.94Å; F510-V538 HydrophobicContact CB-CG2 3.85Å; F510-V538 HydrophobicContact CD1-CG2 3.91Å; F510-V538 HydrophobicContact CD2-CG2 3.59Å; F510-V538 HydrophobicContact CE1-CG2 4.3Å; F510-V538 HydrophobicContact CE2-CG2 4Å; F510-V538 HydrophobicContact CG-CG2 3.53Å; F510-V538 HydrophobicContact CZ-CG2 4.34Å; K534-V538 HydrophobicContact CG-CG2 4.21Å; K534-V538 WeakPolarHBondContact O-CB 3.26Å; K534-V538 VanDerWaalsContact O-CG2 3.27Å; K534-V538 WeakPolarHBondContact O-CG2 3.31Å; K534-V538 PolarHBondContact O-N 3.24Å; N535-V538 PolarHBondContact O-N 2.94Å; V538-I541 PolarHBondContact O-N 2.93Å; V538-F542 VanDerWaalsContact O-CB 3.29Å; V538-F542 WeakPolarHBondContact O-CB 3.29Å; V538-F542 PolarHBondContact O-N 3.03Å
539	D	92.7	Very high	91.8	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-75.1	-37.7	-177.8	-60.2	-15.9	0	0	0	111.1	N535 W537 F542 S543 R640	N535-D539 VanDerWaalsContact O-CB 3.27Å; N535-D539 WeakPolarHBondContact O-CB 3.48Å; N535-D539 PolarHBondContact O-N 2.85Å; W537-D539 VanDerWaalsContact C-N 3.31Å; W537-D539 PolarHBondContact O-N 3.29Å; D539-F542 PolarHBondContact O-N 2.92Å; D539-S543 PolarHBondContact O-N 3.41Å; D539-R640 WeakPolarHBondContact OD1-CD 3.4Å; D539-R640 IonicContact OD1-CZ 2.67Å; D539-R640 IonicContact OD1-NE 2.68Å; D539-R640 IonicContact OD1-NH1 3.15Å; D539-R640 PolarHBondContact OD1-NH1 3.49Å
540	S	95.3	Very high	91.3	Very high	45 Å²	45	46.4 Å²	46.4	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-39.2	170	-62.2	0	0	0	0	112.3	D536 W537 F542	D536-S540 PolarHBondContact O-OG 2.77Å; W537-S540 PolarHBondContact O-N 3.26Å; S540-F542 VanDerWaalsContact C-N 3.34Å
541	I	96.3	Very high	90.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-33.8	175.3	-71.4	167.2	0	0	0	111	L466 V471 M496 V498 F510 L512 W537 V538 I544 I545	L466-I541 HydrophobicContact CD1-CG1 3.9Å; L466-I541 HydrophobicContact CD2-CG1 4.5Å; V471-I541 HydrophobicContact CG2-CG1 4.32Å; M496-I541 HydrophobicContact CE-CG2 3.79Å; V498-I541 HydrophobicContact CB-CG2 3.91Å; V498-I541 HydrophobicContact CG1-CG2 4.17Å; V498-I541 HydrophobicContact CG2-CG2 4.31Å; F510-I541 HydrophobicContact CE2-CD1 4.39Å; L512-I541 HydrophobicContact CD2-CD1 4.14Å; L512-I541 HydrophobicContact CD2-CG2 3.96Å; W537-I541 HydrophobicContact CE3-CD1 4.36Å; W537-I541 WeakPolarHBondContact O-CB 3.43Å; W537-I541 WeakPolarHBondContact O-CD1 3.49Å; W537-I541 WeakPolarHBondContact O-CG1 3.43Å; W537-I541 PolarHBondContact O-N 3.33Å; V538-I541 PolarHBondContact O-N 2.93Å; I541-I544 VanDerWaalsContact O-CG1 3.3Å; I541-I544 WeakPolarHBondContact O-CG1 3.29Å; I541-I545 HydrophobicContact CG2-CD1 4.1Å; I541-I545 WeakPolarHBondContact O-CD1 3.41Å; I541-I545 VanDerWaalsContact O-CG1 3.24Å; I541-I545 WeakPolarHBondContact O-CG1 3.3Å; I541-I545 PolarHBondContact O-N 2.81Å
542	F	93.9	Very high	90	Very high	58 Å²	58	50 Å²	50	25%	0.254	27%	0.265	S	S	.	.	H	α-helix	trans	-68.8	-41.5	176	-176	-87.9	0	0	0	112	V498 V538 D539 S540 I544 I545 D546 R640	V498-F542 HydrophobicContact CG1-CB 4.41Å; V538-F542 VanDerWaalsContact O-CB 3.29Å; V538-F542 WeakPolarHBondContact O-CB 3.29Å; V538-F542 PolarHBondContact O-N 3.03Å; D539-F542 PolarHBondContact O-N 2.92Å; S540-F542 VanDerWaalsContact C-N 3.34Å; F542-I544 PolarHBondContact O-N 3.24Å; F542-I545 WeakPolarHBondContact O-CB 3.4Å; F542-I545 PolarHBondContact O-N 3.08Å; F542-D546 HydrophobicContact CE1-CB 4.41Å; F542-D546 PolarHBondContact O-N 2.87Å; F542-R640 HydrophobicContact CD1-CB 3.83Å; F542-R640 HydrophobicContact CD1-CG 4.44Å; F542-R640 HydrophobicContact CD2-CB 4.31Å; F542-R640 HydrophobicContact CD2-CG 4.03Å; F542-R640 HydrophobicContact CE1-CB 3.99Å; F542-R640 HydrophobicContact CE2-CB 4.45Å; F542-R640 HydrophobicContact CE2-CG 4.21Å; F542-R640 HydrophobicContact CG-CB 4Å; F542-R640 HydrophobicContact CG-CG 4.15Å; F542-R640 HydrophobicContact CZ-CB 4.3Å
543	S	93.4	Very high	88.8	Confident	56 Å²	56	48.4 Å²	48.4	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-53.3	-54	178.2	-158.8	0	0	0	0	111.3	D539 I545 D546 E547	D539-S543 PolarHBondContact O-N 3.41Å; S543-I545 VanDerWaalsContact C-N 3.28Å; S543-I545 PolarHBondContact O-N 3.3Å; S543-D546 PolarHBondContact O-N 3.06Å; S543-E547 WeakPolarHBondContact CB-OE1 3.43Å; S543-E547 WeakPolarHBondContact O-CG 3.5Å; S543-E547 PolarHBondContact O-N 3.47Å; S543-E547 PolarHBondContact OG-OE1 2.96Å
544	I	95	Very high	87.1	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-30	-178.7	66.3	162.6	0	0	0	113.3	L444 L466 F467 V471 A493 M496 I541 F542 A548	L444-I544 HydrophobicContact CD1-CG2 3.61Å; L466-I544 HydrophobicContact CD1-CD1 3.4Å; L466-I544 HydrophobicContact CD1-CG1 4.18Å; F467-I544 VanDerWaalsContact O-CD1 3.3Å; F467-I544 WeakPolarHBondContact O-CD1 3.41Å; V471-I544 HydrophobicContact CG2-CD1 4.13Å; A493-I544 HydrophobicContact CB-CB 4.46Å; A493-I544 HydrophobicContact CB-CD1 4.18Å; A493-I544 HydrophobicContact CB-CG1 4.29Å; M496-I544 HydrophobicContact CE-CD1 3.63Å; M496-I544 HydrophobicContact CE-CG1 3.92Å; I541-I544 VanDerWaalsContact O-CG1 3.3Å; I541-I544 WeakPolarHBondContact O-CG1 3.29Å; F542-I544 PolarHBondContact O-N 3.24Å; I544-A548 WeakPolarHBondContact O-CB 3.45Å; I544-A548 PolarHBondContact O-N 2.99Å
545	I	92.6	Very high	84.6	Confident	5 Å²	5	56 Å²	56	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-67.9	-38.1	173.6	-67.5	166	0	0	0	110.3	M496 V498 I541 F542 S543 K549	M496-I545 HydrophobicContact CE-CD1 3.79Å; M496-I545 HydrophobicContact CE-CG1 3.44Å; M496-I545 VanDerWaalsContact CE-CG1 3.44Å; M496-I545 HydrophobicContact CG-CD1 3.89Å; M496-I545 HydrophobicContact CG-CG1 3.77Å; M496-I545 HydrophobicContact SD-CG1 4.48Å; V498-I545 HydrophobicContact CB-CD1 4.48Å; V498-I545 HydrophobicContact CG1-CD1 4.19Å; I541-I545 HydrophobicContact CG2-CD1 4.1Å; I541-I545 WeakPolarHBondContact O-CD1 3.41Å; I541-I545 VanDerWaalsContact O-CG1 3.24Å; I541-I545 WeakPolarHBondContact O-CG1 3.3Å; I541-I545 PolarHBondContact O-N 2.81Å; F542-I545 WeakPolarHBondContact O-CB 3.4Å; F542-I545 PolarHBondContact O-N 3.08Å; S543-I545 VanDerWaalsContact C-N 3.28Å; S543-I545 PolarHBondContact O-N 3.3Å; I545-K549 HydrophobicContact CG2-CD 4.44Å; I545-K549 VanDerWaalsContact CG2-CE 3.44Å; I545-K549 VanDerWaalsContact CG2-NZ 3.35Å; I545-K549 WeakPolarHBondContact O-CD 3.24Å; I545-K549 VanDerWaalsContact O-CG 3.24Å; I545-K549 WeakPolarHBondContact O-CG 3.39Å; I545-K549 PolarHBondContact O-N 2.92Å
546	D	89.9	Confident	82.5	Confident	44 Å²	44	58.3 Å²	58.3	24%	0.235	32%	0.318	C	S	.	.	H	α-helix	trans	-75.5	-42.9	-179.8	-155.5	57	0	0	0	111.7	F542 S543 A548 K549 A550 N638	F542-D546 HydrophobicContact CE1-CB 4.41Å; F542-D546 PolarHBondContact O-N 2.87Å; S543-D546 PolarHBondContact O-N 3.06Å; D546-A548 PolarHBondContact O-N 2.82Å; D546-K549 WeakPolarHBondContact O-CB 3.45Å; D546-K549 PolarHBondContact O-N 3.15Å; D546-A550 PolarHBondContact O-N 3.07Å; D546-N638 PolarHBondContact OD2-ND2 3.25Å
547	E	89.2	Confident	80	Confident	81 Å²	81	58.7 Å²	58.7	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-57.3	-47.9	171.3	-69.5	163.3	-122	0	0	111.3	S543 K549 A550 H551	S543-E547 WeakPolarHBondContact CB-OE1 3.43Å; S543-E547 WeakPolarHBondContact O-CG 3.5Å; S543-E547 PolarHBondContact O-N 3.47Å; S543-E547 PolarHBondContact OG-OE1 2.96Å; E547-K549 VanDerWaalsContact C-N 3.28Å; E547-K549 PolarHBondContact O-N 2.9Å; E547-A550 PolarHBondContact O-N 3.28Å; E547-A550 VanDerWaalsContact O-N 3.13Å; E547-H551 PolarHBondContact O-CD2 3.32Å; E547-H551 PolarHBondContact O-N 2.92Å
548	A	87.8	Confident	77.1	Confident	16 Å²	16	61.5 Å²	61.5	13%	0.132	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-33.7	176.9	0	0	0	0	0	113.1	A493 I544 D546 S552	A493-A548 HydrophobicContact CB-CB 3.73Å; I544-A548 WeakPolarHBondContact O-CB 3.45Å; I544-A548 PolarHBondContact O-N 2.99Å; D546-A548 PolarHBondContact O-N 2.82Å; A548-S552 PolarHBondContact O-N 3.47Å
549	K	85.7	Confident	74.2	Confident	99 Å²	99	65.5 Å²	65.5	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-69.7	-45.4	171.6	-68.8	162.3	-167.9	161.4	0	111.5	I545 D546 E547 H551 S552 L553	I545-K549 HydrophobicContact CG2-CD 4.44Å; I545-K549 VanDerWaalsContact CG2-CE 3.44Å; I545-K549 VanDerWaalsContact CG2-NZ 3.35Å; I545-K549 WeakPolarHBondContact O-CD 3.24Å; I545-K549 VanDerWaalsContact O-CG 3.24Å; I545-K549 WeakPolarHBondContact O-CG 3.39Å; I545-K549 PolarHBondContact O-N 2.92Å; D546-K549 WeakPolarHBondContact O-CB 3.45Å; D546-K549 PolarHBondContact O-N 3.15Å; E547-K549 VanDerWaalsContact C-N 3.28Å; E547-K549 PolarHBondContact O-N 2.9Å; K549-H551 VanDerWaalsContact C-N 3.29Å; K549-H551 PolarHBondContact O-N 3.21Å; K549-S552 PolarHBondContact O-N 3.19Å; K549-S552 VanDerWaalsContact O-N 3.15Å; K549-S552 PolarHBondContact O-OG 3.06Å; K549-L553 WeakPolarHBondContact O-CG 3.39Å; K549-L553 PolarHBondContact O-N 2.91Å
550	A	81.4	Confident	71.4	Confident	52 Å²	52	73 Å²	73	43%	0.43	40%	0.399	S	S	.	.	H	α-helix	trans	-60.5	-39.7	178.3	0	0	0	0	0	111.9	D546 E547 L553 T554	D546-A550 PolarHBondContact O-N 3.07Å; E547-A550 PolarHBondContact O-N 3.28Å; E547-A550 VanDerWaalsContact O-N 3.13Å; A550-L553 PolarHBondContact O-N 3.15Å; A550-T554 PolarHBondContact O-N 3.41Å; A550-T554 VanDerWaalsContact O-N 3.08Å; A550-T554 PolarHBondContact O-OG1 2.83Å
551	H	76.6	Confident	68.6	Low	118 Å²	118	75.5 Å²	75.5	55%	0.546	42%	0.416	S	S	.	.	H	α-helix	trans	-67.1	-38.2	173.4	-74.5	-56.2	0	0	0	113	E547 K549 L553 T554 F555	E547-H551 PolarHBondContact O-CD2 3.32Å; E547-H551 PolarHBondContact O-N 2.92Å; K549-H551 VanDerWaalsContact C-N 3.29Å; K549-H551 PolarHBondContact O-N 3.21Å; H551-L553 VanDerWaalsContact C-N 3.35Å; H551-L553 PolarHBondContact O-N 3.49Å; H551-T554 WeakPolarHBondContact CA-OG1 3.11Å; H551-T554 PolarHBondContact O-N 2.91Å; H551-T554 PolarHBondContact O-OG1 3.46Å; H551-T554 VanDerWaalsContact O-OG1 3.1Å; H551-F555 PolarHBondContact O-N 2.83Å
552	S	72.4	Confident	65.5	Low	60 Å²	60	80 Å²	80	42%	0.42	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-34.2	176	76	0	0	0	0	112.6	A548 K549 T556	A548-S552 PolarHBondContact O-N 3.47Å; K549-S552 PolarHBondContact O-N 3.19Å; K549-S552 VanDerWaalsContact O-N 3.15Å; K549-S552 PolarHBondContact O-OG 3.06Å; S552-T556 WeakPolarHBondContact O-CB 3.28Å; S552-T556 WeakPolarHBondContact O-CG2 3.38Å; S552-T556 PolarHBondContact O-N 3.48Å; S552-T556 PolarHBondContact O-OG1 2.78Å
553	L	64.7	Low	62.6	Low	114 Å²	114	84.2 Å²	84.2	60%	0.597	47%	0.471	S	S	*	.	H	α-helix	trans	-70.1	-36.3	175.7	-68.7	170.8	0	0	0	112.9	K549 A550 H551 T556 S557	K549-L553 WeakPolarHBondContact O-CG 3.39Å; K549-L553 PolarHBondContact O-N 2.91Å; A550-L553 PolarHBondContact O-N 3.15Å; H551-L553 VanDerWaalsContact C-N 3.35Å; H551-L553 PolarHBondContact O-N 3.49Å; L553-T556 PolarHBondContact O-OG1 2.98Å; L553-S557 WeakPolarHBondContact O-CB 3.26Å; L553-S557 PolarHBondContact O-N 3.28Å; L553-S557 PolarHBondContact O-OG 3.26Å
554	T	56	Low	59.5	Low	79 Å²	79	86.7 Å²	86.7	49%	0.485	49%	0.488	S	S	.	.	H	α-helix	trans	-73.1	-43.8	174.8	37.2	0	0	0	0	111.7	A550 H551 S557 S558	A550-T554 PolarHBondContact O-N 3.41Å; A550-T554 VanDerWaalsContact O-N 3.08Å; A550-T554 PolarHBondContact O-OG1 2.83Å; H551-T554 WeakPolarHBondContact CA-OG1 3.11Å; H551-T554 PolarHBondContact O-N 2.91Å; H551-T554 PolarHBondContact O-OG1 3.46Å; H551-T554 VanDerWaalsContact O-OG1 3.1Å; T554-S557 WeakPolarHBondContact O-CB 3.37Å; T554-S557 PolarHBondContact O-N 2.88Å; T554-S558 PolarHBondContact O-N 2.99Å; T554-S558 PolarHBondContact O-OG 2.85Å
555	F	42	Very low	56.4	Low	151 Å²	151	96 Å²	96	66%	0.662	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-43.4	175.2	-98.9	-87.9	0	0	0	113.1	H551 S557 S558 S559	H551-F555 PolarHBondContact O-N 2.83Å; F555-S557 PolarHBondContact O-N 2.95Å; F555-S558 PolarHBondContact O-N 3.28Å; F555-S559 WeakPolarHBondContact O-CB 3.31Å; F555-S559 PolarHBondContact O-N 3.44Å; F555-S559 PolarHBondContact O-OG 3.33Å; F555-S559 VanDerWaalsContact O-OG 3.07Å
556	T	44.9	Very low	53.5	Low	91 Å²	91	102.8 Å²	102.8	56%	0.558	57%	0.568	S	S	*	*	H	α-helix	trans	-66.8	-22.1	177.1	50.1	0	0	0	0	113.4	S552 L553	S552-T556 WeakPolarHBondContact O-CB 3.28Å; S552-T556 WeakPolarHBondContact O-CG2 3.38Å; S552-T556 PolarHBondContact O-N 3.48Å; S552-T556 PolarHBondContact O-OG1 2.78Å; L553-T556 PolarHBondContact O-OG1 2.98Å
557	S	41.7	Very low	50.6	Low	82 Å²	82	108.8 Å²	108.8	57%	0.573	60%	0.6	S	S	*	*	H	α-helix	trans	-72.6	-49.9	168.5	-59.1	0	0	0	0	111.5	L553 T554 F555 S559 R560	L553-S557 WeakPolarHBondContact O-CB 3.26Å; L553-S557 PolarHBondContact O-N 3.28Å; L553-S557 PolarHBondContact O-OG 3.26Å; T554-S557 WeakPolarHBondContact O-CB 3.37Å; T554-S557 PolarHBondContact O-N 2.88Å; F555-S557 PolarHBondContact O-N 2.95Å; S557-S559 VanDerWaalsContact C-N 3.32Å; S557-S559 PolarHBondContact O-N 3.43Å; S557-R560 PolarHBondContact O-N 2.87Å
558	S	34.8	Very low	48.1	Very low	70 Å²	70	112.4 Å²	112.4	49%	0.49	62%	0.623	S	S	.	*	H	α-helix	trans	-65.8	-29.6	179.7	-58.6	0	0	0	0	113.7	T554 F555 R560 S561	T554-S558 PolarHBondContact O-N 2.99Å; T554-S558 PolarHBondContact O-OG 2.85Å; F555-S558 PolarHBondContact O-N 3.28Å; S558-R560 PolarHBondContact O-N 3.47Å; S558-R560 VanDerWaalsContact O-N 3.09Å; S558-S561 PolarHBondContact O-N 2.92Å; S558-S561 VanDerWaalsContact O-N 3.09Å; S558-S561 PolarHBondContact O-OG 3.15Å
559	S	31.3	Very low	45.3	Very low	85 Å²	85	119 Å²	119	59%	0.594	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-1.1	174.8	-63.7	0	0	0	0	114.3	F555 S557	F555-S559 WeakPolarHBondContact O-CB 3.31Å; F555-S559 PolarHBondContact O-N 3.44Å; F555-S559 PolarHBondContact O-OG 3.33Å; F555-S559 VanDerWaalsContact O-OG 3.07Å; S557-S559 VanDerWaalsContact C-N 3.32Å; S557-S559 PolarHBondContact O-N 3.43Å
560	R	35.2	Very low	43.1	Very low	228 Å²	228	119.5 Å²	119.5	86%	0.86	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-2.5	170.3	-80.5	-176.5	167.5	166.2	-1.3	114.1	S557 S558	S557-R560 PolarHBondContact O-N 2.87Å; S558-R560 PolarHBondContact O-N 3.47Å; S558-R560 VanDerWaalsContact O-N 3.09Å
561	S	34.9	Very low	41.1	Very low	97 Å²	97	124.3 Å²	124.3	68%	0.678	69%	0.688	S	S	*	*	S	Bend	trans	-115.1	22.1	-174.2	60.2	0	0	0	0	114.3	S558	S558-S561 PolarHBondContact O-N 2.92Å; S558-S561 VanDerWaalsContact O-N 3.09Å; S558-S561 PolarHBondContact O-OG 3.15Å
562	S	32.6	Very low	40.1	Very low	95 Å²	95	124 Å²	124	66%	0.664	69%	0.687	S	S	*	*	S	Bend	trans	-121.4	13.4	-177.1	56	0	0	0	0	115.1
563	I	32	Very low	39.4	Very low	146 Å²	146	124.2 Å²	124.2	75%	0.749	69%	0.688	S	S	*	*	S	Bend	trans	-133.3	130.3	168	-60.2	-178.2	0	0	0	109.8
564	S	28.5	Very low	39.5	Very low	107 Å²	107	124.7 Å²	124.7	75%	0.748	69%	0.686	S	S	*	*			trans	64.3	70.9	169.8	60.3	0	0	0	0	118.8	N566	S564-N566 VanDerWaalsContact C-N 3.3Å; S564-N566 PolarHBondContact O-N 2.81Å
565	E	30.2	Very low	40.3	Very low	197 Å²	197	124.6 Å²	124.6	92%	0.921	68%	0.68	S	S	*	*			trans	-73.7	89.7	137.2	-76.7	-164.2	139.8	0	0	108.9
566	N	32.2	Very low	41.9	Very low	147 Å²	147	117.4 Å²	117.4	79%	0.786	65%	0.648	S	S	*	*			trans	177.1	74.9	149.1	-96.9	-33.6	0	0	0	111.8	S564	S564-N566 VanDerWaalsContact C-N 3.3Å; S564-N566 PolarHBondContact O-N 2.81Å
567	N	28.4	Very low	43.3	Very low	169 Å²	169	115.4 Å²	115.4	90%	0.904	64%	0.641	S	S	*	*			trans	-175.4	141.4	130	-103	-54.1	0	0	0	111.7	N569	N567-N569 PolarHBondContact O-N 2.87Å
568	N	36.7	Very low	44.6	Very low	158 Å²	158	114.9 Å²	114.9	85%	0.845	63%	0.632	S	S	*	*			trans	-73.2	109.1	173	-83.9	-47.6	0	0	0	110.7
569	N	29.7	Very low	46.3	Very low	154 Å²	154	114.9 Å²	114.9	82%	0.824	63%	0.631	S	S	*	*			trans	-162.7	142.4	146	-103.3	-46.5	0	0	0	112	N567 I571	N567-N569 PolarHBondContact O-N 2.87Å; N569-I571 PolarHBondContact O-N 3.01Å; N569-I571 VanDerWaalsContact O-N 3.16Å
570	S	38.5	Very low	47.9	Very low	110 Å²	110	116.6 Å²	116.6	77%	0.769	63%	0.633	S	S	*	*			trans	-82.2	93.8	-170.3	45.1	0	0	0	0	113.3	E572	S570-E572 PolarHBondContact O-N 2.93Å; S570-E572 VanDerWaalsContact O-N 3.08Å
571	I	40.4	Very low	49.6	Very low	152 Å²	152	110.4 Å²	110.4	78%	0.779	62%	0.616	S	S	*	*			trans	-80.4	87.7	170.8	-54.3	-178.9	0	0	0	109.7	N569	N569-I571 PolarHBondContact O-N 3.01Å; N569-I571 VanDerWaalsContact O-N 3.16Å
572	E	55.7	Low	51.3	Low	112 Å²	112	110.8 Å²	110.8	52%	0.523	61%	0.607	S	S	.	*			trans	-57	146.1	164.1	-60.2	-168.1	104	0	0	110.5	S570 K574 R598	S570-E572 PolarHBondContact O-N 2.93Å; S570-E572 VanDerWaalsContact O-N 3.08Å; E572-K574 PolarHBondContact O-N 2.7Å; E572-K574 VanDerWaalsContact O-N 3.15Å; E572-R598 IonicContact OE1-CZ 2.85Å; E572-R598 IonicContact OE1-NH1 2.71Å; E572-R598 PolarHBondContact OE1-NH1 3.18Å; E572-R598 IonicContact OE1-NH2 3.28Å; E572-R598 IonicContact OE2-CZ 2.8Å; E572-R598 VanDerWaalsContact OE2-CZ 3.28Å; E572-R598 IonicContact OE2-NH1 3.67Å; E572-R598 PolarHBondContact OE2-NH1 3.41Å; E572-R598 IonicContact OE2-NH2 2.84Å; E572-R598 PolarHBondContact OE2-NH2 2.79Å
573	S	57.2	Low	53.4	Low	64 Å²	64	107.4 Å²	107.4	45%	0.448	58%	0.581	S	S	.	*			trans	-59	124.7	-176	73.2	0	0	0	0	111.8	H575 F583 R598	S573-H575 VanDerWaalsContact C-N 3.26Å; S573-H575 PolarHBondContact O-N 3.08Å; S573-H575 PolarHBondContact OG-O 3.21Å; S573-F583 VanDerWaalsContact O-CD2 3.32Å; S573-F583 WeakPolarHBondContact O-CD2 3.43Å; S573-F583 WeakPolarHBondContact O-CE2 3.32Å; S573-R598 VanDerWaalsContact O-CD 3.26Å; S573-R598 WeakPolarHBondContact O-CD 3.46Å; S573-R598 PolarHBondContact O-NE 3.47Å; S573-R598 WeakPolarHBondContact OG-CD 3.44Å
574	K	67.3	Low	54.7	Low	124 Å²	124	102.3 Å²	102.3	54%	0.539	56%	0.564	S	S	.	*	S	Bend	trans	-72.9	-14.4	178.1	-70.4	-168.4	177.6	-175.7	0	113.7	E572 E582 F583	E572-K574 PolarHBondContact O-N 2.7Å; E572-K574 VanDerWaalsContact O-N 3.15Å; K574-E582 HydrophobicContact CB-CG 4.16Å; K574-E582 WeakPolarHBondContact CD-OE1 3.45Å; K574-E582 CarbonylContact O-C 3.58Å; K574-E582 WeakPolarHBondContact O-CA 3.5Å; K574-E582 WeakPolarHBondContact O-CG 3.2Å; K574-F583 WeakPolarHBondContact O-CB 3.13Å; K574-F583 WeakPolarHBondContact O-CD2 3.36Å; K574-F583 WeakPolarHBondContact O-CG 3.3Å; K574-F583 PolarHBondContact O-N 3.17Å
575	H	72.2	Confident	56.1	Low	78 Å²	78	107.9 Å²	107.9	36%	0.361	58%	0.575	S	S	.	*	B	Isolated β-bridge	trans	-115.6	153.9	-174.3	-58.8	92.3	0	0	0	112.7	S573 D580 E582 F583	S573-H575 VanDerWaalsContact C-N 3.26Å; S573-H575 PolarHBondContact O-N 3.08Å; S573-H575 PolarHBondContact OG-O 3.21Å; H575-D580 WeakPolarHBondContact CB-OD1 3.42Å; H575-D580 PolarHBondContact CD2-O 3.23Å; H575-E582 WeakPolarHBondContact NE2-CG 3.39Å; H575-F583 VanDerWaalsContact O-CE2 3.31Å; H575-F583 WeakPolarHBondContact O-CE2 3.32Å
576	C	75.4	Confident	57.1	Low	0 Å²	0	107.1 Å²	107.1	0%	0	58%	0.577	C	S	.	*			trans	-76.6	118.9	178.9	179.3	0	0	0	0	112.5	D578 C579 D580 I581 F583 C600	C576-D578 PolarHBondContact O-N 3.42Å; C576-C579 PolarHBondContact O-N 3.02Å; C576-D580 VanDerWaalsContact O-CA 3.23Å; C576-D580 WeakPolarHBondContact O-CA 3.4Å; C576-D580 PolarHBondContact O-N 3.32Å; C576-I581 HydrophobicContact CB-CG2 3.8Å; C576-I581 PolarHBondContact N-O 3.39Å; C576-F583 HydrophobicContact CB-CE1 4.21Å; C576-F583 HydrophobicContact CB-CZ 4.07Å; C576-C600 HydrophobicContact CB-CB 4.03Å; C576-C600 PolarHBondContact SG-N 2.98Å
577	A	73.8	Confident	58.3	Low	49 Å²	49	103.2 Å²	103.2	41%	0.405	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-7.1	-174.7	0	0	0	0	0	116.6	R597 R598 L599	A577-R597 HydrophobicContact CB-CB 4.12Å; A577-R597 HydrophobicContact CB-CG 4.5Å; A577-R597 PolarHBondContact O-NH2 3.41Å; A577-R598 PolarHBondContact N-O 3.28Å; A577-L599 HydrophobicContact CB-CD2 3.86Å
578	D	69.5	Low	59.9	Low	71 Å²	71	105.3 Å²	105.3	38%	0.38	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.9	-27.5	174.7	-83	-43.3	0	0	0	114.7	C576 R597 L599 C603	C576-D578 PolarHBondContact O-N 3.42Å; D578-R597 IonicContact OD1-CZ 3.56Å; D578-R597 IonicContact OD1-NH1 2.67Å; D578-R597 PolarHBondContact OD1-NH1 3.4Å; D578-R597 IonicContact OD1-NH2 2.66Å; D578-R597 PolarHBondContact OD1-NH2 3.3Å; D578-R597 IonicContact OD2-NH1 3.69Å; D578-R597 PolarHBondContact OD2-NH1 3.08Å; D578-L599 HydrophobicContact CB-CD2 3.88Å; D578-L599 VanDerWaalsContact OD2-CD1 3.25Å; D578-L599 WeakPolarHBondContact OD2-CD1 3.4Å; D578-L599 WeakPolarHBondContact OD2-CD2 3.28Å; D578-C603 HydrophobicContact CB-CB 3.93Å
579	C	70.9	Confident	61.6	Low	69 Å²	69	98.2 Å²	98.2	47%	0.466	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	11.7	-173.9	70.6	0	0	0	0	114.5	C576 I581 C603	C576-C579 PolarHBondContact O-N 3.02Å; C579-I581 PolarHBondContact O-N 3.03Å; C579-C603 PolarHBondContact SG-SG 3.42Å
580	D	64.8	Low	64	Low	121 Å²	121	92.1 Å²	92.1	65%	0.647	49%	0.49	S	S	*	.			trans	50.7	8	176.9	-133.3	21.5	0	0	0	117.8	H575 C576 E582	H575-D580 WeakPolarHBondContact CB-OD1 3.42Å; H575-D580 PolarHBondContact CD2-O 3.23Å; C576-D580 VanDerWaalsContact O-CA 3.23Å; C576-D580 WeakPolarHBondContact O-CA 3.4Å; C576-D580 PolarHBondContact O-N 3.32Å; D580-E582 PolarHBondContact O-N 2.87Å
581	I	71.9	Confident	65.9	Low	99 Å²	99	92.8 Å²	92.8	51%	0.508	48%	0.479	S	S	.	.			trans	-62.5	135	176.6	-162.5	169.5	0	0	0	111.6	C576 C579 C600	C576-I581 HydrophobicContact CB-CG2 3.8Å; C576-I581 PolarHBondContact N-O 3.39Å; C579-I581 PolarHBondContact O-N 3.03Å; I581-C600 HydrophobicContact CG2-CB 3.91Å
582	E	70.4	Confident	67.7	Low	105 Å²	105	85.6 Å²	85.6	49%	0.491	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-73.2	141	-179.4	-161	176.2	-163	0	0	112.4	K574 H575 D580 G584	K574-E582 HydrophobicContact CB-CG 4.16Å; K574-E582 WeakPolarHBondContact CD-OE1 3.45Å; K574-E582 CarbonylContact O-C 3.58Å; K574-E582 WeakPolarHBondContact O-CA 3.5Å; K574-E582 WeakPolarHBondContact O-CG 3.2Å; H575-E582 WeakPolarHBondContact NE2-CG 3.39Å; D580-E582 PolarHBondContact O-N 2.87Å; E582-G584 PolarHBondContact O-N 3.08Å
583	F	75.5	Confident	68.7	Low	24 Å²	24	84.3 Å²	84.3	11%	0.105	44%	0.442	C	S	.	.			trans	-82.2	88.1	170.5	-55.1	-48.3	0	0	0	109.6	S573 K574 H575 C576 S587 R598 C600	S573-F583 VanDerWaalsContact O-CD2 3.32Å; S573-F583 WeakPolarHBondContact O-CD2 3.43Å; S573-F583 WeakPolarHBondContact O-CE2 3.32Å; K574-F583 WeakPolarHBondContact O-CB 3.13Å; K574-F583 WeakPolarHBondContact O-CD2 3.36Å; K574-F583 WeakPolarHBondContact O-CG 3.3Å; K574-F583 PolarHBondContact O-N 3.17Å; H575-F583 VanDerWaalsContact O-CE2 3.31Å; H575-F583 WeakPolarHBondContact O-CE2 3.32Å; C576-F583 HydrophobicContact CB-CE1 4.21Å; C576-F583 HydrophobicContact CB-CZ 4.07Å; F583-S587 VanDerWaalsContact CD1-O 3.31Å; F583-S587 WeakPolarHBondContact CD1-O 3.31Å; F583-R598 HydrophobicContact CE2-CG 3.78Å; F583-R598 HydrophobicContact CZ-CG 4.13Å; F583-C600 HydrophobicContact CE1-CB 3.89Å
584	G	60.6	Low	69.3	Low	39 Å²	39	86.1 Å²	86.1	40%	0.402	44%	0.441	S	S	.	.			trans	-53	164.1	167.4	0	0	0	0	0	112.9	E582 L586 S587	E582-G584 PolarHBondContact O-N 3.08Å; G584-L586 PolarHBondContact O-N 2.68Å; G584-S587 PolarHBondContact N-OG 3.3Å; G584-S587 VanDerWaalsContact N-OG 3.15Å; G584-S587 PolarHBondContact O-N 2.69Å; G584-S587 PolarHBondContact O-OG 3.28Å; G584-S587 VanDerWaalsContact O-OG 3.12Å
585	F	56.5	Low	69.6	Low	224 Å²	224	82.5 Å²	82.5	98%	0.982	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-25.4	-164.5	-75.6	-92.4	0	0	0	117.6
586	L	51.3	Low	69.7	Low	180 Å²	180	82.1 Å²	82.1	94%	0.942	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-12.5	179.3	-69.8	161.4	0	0	0	114.6	G584 R588	G584-L586 PolarHBondContact O-N 2.68Å; L586-R588 PolarHBondContact O-N 2.93Å
587	S	57.1	Low	69.7	Low	65 Å²	65	86.5 Å²	86.5	46%	0.455	45%	0.454	S	S	.	.			trans	-102.4	49	-165.7	61.5	0	0	0	0	114.8	F583 G584 G589	F583-S587 VanDerWaalsContact CD1-O 3.31Å; F583-S587 WeakPolarHBondContact CD1-O 3.31Å; G584-S587 PolarHBondContact N-OG 3.3Å; G584-S587 VanDerWaalsContact N-OG 3.15Å; G584-S587 PolarHBondContact O-N 2.69Å; G584-S587 PolarHBondContact O-OG 3.28Å; G584-S587 VanDerWaalsContact O-OG 3.12Å; S587-G589 PolarHBondContact O-N 2.83Å
588	R	63.6	Low	70	Confident	213 Å²	213	85.7 Å²	85.7	80%	0.804	44%	0.441	S	S	*	.			trans	-46.8	112.4	177.5	-73.4	-179.3	170.7	137.8	-1.9	112.8	L586	L586-R588 PolarHBondContact O-N 2.93Å
589	G	70.6	Confident	70.4	Confident	10 Å²	10	82.3 Å²	82.3	10%	0.103	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-59.4	147.4	175.7	0	0	0	0	0	113	S587 L599	S587-G589 PolarHBondContact O-N 2.83Å; G589-L599 CarbonylContact C-O 3.49Å; G589-L599 WeakPolarHBondContact CA-O 3.43Å
590	S	79.9	Confident	70.8	Confident	25 Å²	25	79.8 Å²	79.8	18%	0.175	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.5	179.2	-68.9	0	0	0	0	111	R598 L599 F604 R615	S590-R598 WeakPolarHBondContact O-CA 3.28Å; S590-L599 PolarHBondContact N-O 2.94Å; S590-L599 PolarHBondContact O-N 3.39Å; S590-F604 WeakPolarHBondContact O-CE2 3.41Å; S590-R615 PolarHBondContact OG-NH1 3.43Å
591	K	78.9	Confident	71.2	Confident	124 Å²	124	81.5 Å²	81.5	54%	0.539	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.6	171.6	-163.1	179.2	-179.7	-177.1	0	109.8	S596 R597	K591-S596 VanDerWaalsContact CE-CB 3.45Å; K591-S596 WeakPolarHBondContact CE-O 3.46Å; K591-S596 WeakPolarHBondContact CE-OG 3.01Å; K591-S596 VanDerWaalsContact CG-O 3.31Å; K591-S596 WeakPolarHBondContact CG-O 3.47Å; K591-S596 PolarHBondContact NZ-OG 2.89Å; K591-R597 WeakPolarHBondContact CA-O 3.33Å
592	C	78.4	Confident	71.2	Confident	1 Å²	1	86.2 Å²	86.2	1%	0.007	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-76.4	134	170	177.1	0	0	0	0	109.9	C595 S596 R597 F604 R615 C617	C592-C595 VanDerWaalsContact CB-SG 3.59Å; C592-C595 PolarHBondContact SG-SG 3.34Å; C592-S596 WeakPolarHBondContact O-CA 3.4Å; C592-S596 PolarHBondContact O-N 3.02Å; C592-R597 PolarHBondContact N-O 3.44Å; C592-F604 HydrophobicContact CB-CE2 4.27Å; C592-F604 HydrophobicContact CB-CZ 4.42Å; C592-R615 CarbonylContact C-O 3.55Å; C592-R615 WeakPolarHBondContact CA-O 3.12Å; C592-C617 HydrophobicContact CB-CB 4.09Å; C592-C617 PolarHBondContact SG-N 3.31Å; C592-C617 VanDerWaalsContact SG-SG 3.63Å
593	V	76.1	Confident	71.3	Confident	85 Å²	85	82.8 Å²	82.8	52%	0.515	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-43.3	178.1	179.3	0	0	0	0	111.6	C595 K613 R615	V593-C595 PolarHBondContact O-N 3.32Å; V593-K613 WeakPolarHBondContact CG2-O 3.19Å; V593-R615 PolarHBondContact N-O 2.9Å
594	K	71.6	Confident	71.3	Confident	102 Å²	102	82.6 Å²	82.6	44%	0.443	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-30.1	-176.3	-166.7	173.6	-176.7	-179.5	0	113.8	I616 C620 N623 M624	K594-I616 HydrophobicContact CB-CG2 4.23Å; K594-C620 HydrophobicContact CB-CB 4.19Å; K594-C620 HydrophobicContact CD-CB 4.09Å; K594-C620 HydrophobicContact CG-CB 4.49Å; K594-N623 PolarHBondContact NZ-O 2.8Å; K594-M624 HydrophobicContact CD-SD 4Å
595	C	73.5	Confident	71.4	Confident	48 Å²	48	81.9 Å²	81.9	32%	0.324	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	5.2	-176.2	70.6	0	0	0	0	115.7	C592 V593 R597 C620	C592-C595 VanDerWaalsContact CB-SG 3.59Å; C592-C595 PolarHBondContact SG-SG 3.34Å; V593-C595 PolarHBondContact O-N 3.32Å; C595-R597 PolarHBondContact O-N 3.26Å; C595-C620 VanDerWaalsContact SG-SG 3.6Å
596	S	73	Confident	71.2	Confident	71 Å²	71	83 Å²	83	50%	0.497	40%	0.401	S	S	.	.			trans	56.4	-2	-178.3	-84.6	0	0	0	0	118.1	K591 C592	K591-S596 VanDerWaalsContact CE-CB 3.45Å; K591-S596 WeakPolarHBondContact CE-O 3.46Å; K591-S596 WeakPolarHBondContact CE-OG 3.01Å; K591-S596 VanDerWaalsContact CG-O 3.31Å; K591-S596 WeakPolarHBondContact CG-O 3.47Å; K591-S596 PolarHBondContact NZ-OG 2.89Å; C592-S596 WeakPolarHBondContact O-CA 3.4Å; C592-S596 PolarHBondContact O-N 3.02Å
597	R	76.4	Confident	71.2	Confident	91 Å²	91	84.4 Å²	84.4	34%	0.343	39%	0.394	S	S	.	.			trans	-66.2	139.9	177.3	-64.5	173.1	79.3	-139.6	8.6	111.4	A577 D578 K591 C592 C595 L599	A577-R597 HydrophobicContact CB-CB 4.12Å; A577-R597 HydrophobicContact CB-CG 4.5Å; A577-R597 PolarHBondContact O-NH2 3.41Å; D578-R597 IonicContact OD1-CZ 3.56Å; D578-R597 IonicContact OD1-NH1 2.67Å; D578-R597 PolarHBondContact OD1-NH1 3.4Å; D578-R597 IonicContact OD1-NH2 2.66Å; D578-R597 PolarHBondContact OD1-NH2 3.3Å; D578-R597 IonicContact OD2-NH1 3.69Å; D578-R597 PolarHBondContact OD2-NH1 3.08Å; K591-R597 WeakPolarHBondContact CA-O 3.33Å; C592-R597 PolarHBondContact N-O 3.44Å; C595-R597 PolarHBondContact O-N 3.26Å; R597-L599 HydrophobicContact CB-CD2 4.41Å
598	R	79.6	Confident	70.9	Confident	33 Å²	33	90 Å²	90	13%	0.125	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.1	178.7	-173.5	-175.6	177.3	99.6	-21.6	109.9	E572 S573 A577 F583 S590	E572-R598 IonicContact OE1-CZ 2.85Å; E572-R598 IonicContact OE1-NH1 2.71Å; E572-R598 PolarHBondContact OE1-NH1 3.18Å; E572-R598 IonicContact OE1-NH2 3.28Å; E572-R598 IonicContact OE2-CZ 2.8Å; E572-R598 VanDerWaalsContact OE2-CZ 3.28Å; E572-R598 IonicContact OE2-NH1 3.67Å; E572-R598 PolarHBondContact OE2-NH1 3.41Å; E572-R598 IonicContact OE2-NH2 2.84Å; E572-R598 PolarHBondContact OE2-NH2 2.79Å; S573-R598 VanDerWaalsContact O-CD 3.26Å; S573-R598 WeakPolarHBondContact O-CD 3.46Å; S573-R598 PolarHBondContact O-NE 3.47Å; S573-R598 WeakPolarHBondContact OG-CD 3.44Å; A577-R598 PolarHBondContact N-O 3.28Å; F583-R598 HydrophobicContact CE2-CG 3.78Å; F583-R598 HydrophobicContact CZ-CG 4.13Å; S590-R598 WeakPolarHBondContact O-CA 3.28Å
599	L	76.9	Confident	69.8	Low	0 Å²	0	86.7 Å²	86.7	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.4	-169.3	-54.7	176	0	0	0	112.6	A577 D578 G589 S590 R597 C603 F604 C617	A577-L599 HydrophobicContact CB-CD2 3.86Å; D578-L599 HydrophobicContact CB-CD2 3.88Å; D578-L599 VanDerWaalsContact OD2-CD1 3.25Å; D578-L599 WeakPolarHBondContact OD2-CD1 3.4Å; D578-L599 WeakPolarHBondContact OD2-CD2 3.28Å; G589-L599 CarbonylContact C-O 3.49Å; G589-L599 WeakPolarHBondContact CA-O 3.43Å; S590-L599 PolarHBondContact N-O 2.94Å; S590-L599 PolarHBondContact O-N 3.39Å; R597-L599 HydrophobicContact CB-CD2 4.41Å; L599-C603 HydrophobicContact CB-CB 4.19Å; L599-F604 HydrophobicContact CB-CD2 4.08Å; L599-F604 HydrophobicContact CD1-CD2 4.47Å; L599-C617 HydrophobicContact CD1-CB 3.52Å
600	C	79.9	Confident	68.6	Low	16 Å²	16	94 Å²	94	11%	0.108	43%	0.434	C	S	.	.			trans	-73.5	165	173.9	80	0	0	0	0	111.6	C576 I581 F583 K602 C603 F604	C576-C600 HydrophobicContact CB-CB 4.03Å; C576-C600 PolarHBondContact SG-N 2.98Å; I581-C600 HydrophobicContact CG2-CB 3.91Å; F583-C600 HydrophobicContact CE1-CB 3.89Å; C600-K602 PolarHBondContact O-N 2.94Å; C600-K602 VanDerWaalsContact O-N 3.11Å; C600-C603 PolarHBondContact O-N 3.16Å; C600-F604 PolarHBondContact O-N 3.06Å
601	K	72.9	Confident	67.3	Low	157 Å²	157	96.3 Å²	96.3	68%	0.683	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-28	-179.5	-174.5	-174.9	171.6	-167.4	0	113.4
602	K	72.3	Confident	66.2	Low	197 Å²	197	99.4 Å²	99.4	86%	0.857	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-53	175.9	-66.5	-174	178.4	-178.3	0	111.2	C600 F604	C600-K602 PolarHBondContact O-N 2.94Å; C600-K602 VanDerWaalsContact O-N 3.11Å; K602-F604 VanDerWaalsContact C-N 3.3Å; K602-F604 PolarHBondContact O-N 3.41Å
603	C	71.9	Confident	65	Low	33 Å²	33	107.6 Å²	107.6	22%	0.223	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.7	-177.8	-61	0	0	0	0	114.4	D578 C579 L599 C600	D578-C603 HydrophobicContact CB-CB 3.93Å; C579-C603 PolarHBondContact SG-SG 3.42Å; L599-C603 HydrophobicContact CB-CB 4.19Å; C600-C603 PolarHBondContact O-N 3.16Å
604	F	76.1	Confident	64.1	Low	21 Å²	21	110.2 Å²	110.2	9%	0.092	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-29	-178.9	-150.7	-80.4	0	0	0	114	S590 C592 L599 C600 K602 R615 I616 C617 D618	S590-F604 WeakPolarHBondContact O-CE2 3.41Å; C592-F604 HydrophobicContact CB-CE2 4.27Å; C592-F604 HydrophobicContact CB-CZ 4.42Å; L599-F604 HydrophobicContact CB-CD2 4.08Å; L599-F604 HydrophobicContact CD1-CD2 4.47Å; C600-F604 PolarHBondContact O-N 3.06Å; K602-F604 VanDerWaalsContact C-N 3.3Å; K602-F604 PolarHBondContact O-N 3.41Å; F604-R615 HydrophobicContact CE1-CB 3.78Å; F604-R615 HydrophobicContact CE2-CB 4.49Å; F604-R615 HydrophobicContact CZ-CB 3.5Å; F604-I616 WeakPolarHBondContact CE1-O 3.25Å; F604-C617 HydrophobicContact CD2-CB 4.45Å; F604-C617 HydrophobicContact CE2-CB 4.25Å; F604-C617 HydrophobicContact CZ-CB 4.29Å; F604-D618 PolarHBondContact O-N 3.49Å
605	G	62.6	Low	64.1	Low	24 Å²	24	110.3 Å²	110.3	25%	0.247	50%	0.503	C	S	.	.			trans	100.2	168.5	-175.5	0	0	0	0	0	114.5
606	R	53.6	Low	64	Low	248 Å²	248	110.7 Å²	110.7	94%	0.936	50%	0.501	S	S	*	.	S	Bend	trans	-86.8	-14.7	-171.9	-69.5	-165.7	-172.5	-156.8	6.2	115.8	R608	R606-R608 PolarHBondContact O-N 3.08Å
607	R	51.4	Low	64.1	Low	209 Å²	209	107.3 Å²	107.3	79%	0.789	48%	0.478	S	S	*	.			trans	-71.4	101.5	177.6	-63.1	-168.3	-168.2	-119.1	11.5	109.6
608	R	49.5	Very low	63.7	Low	183 Å²	183	105.9 Å²	105.9	69%	0.691	48%	0.477	S	S	*	.			trans	-113.9	-0.6	-168.7	-132	178.2	-172.7	-132.2	-4.7	115.9	R606	R606-R608 PolarHBondContact O-N 3.08Å
609	N	40.8	Very low	63.2	Low	142 Å²	142	107.6 Å²	107.6	76%	0.759	49%	0.491	S	S	*	.			trans	-112.2	142.5	167.9	-79.5	10.2	0	0	0	106.5
610	E	46.3	Very low	63	Low	165 Å²	165	108.5 Å²	108.5	77%	0.771	50%	0.497	S	S	*	.	S	Bend	cis	-133.6	161.6	10.7	-64	-175.8	148.6	0	0	113.1
611	S	51.4	Low	62.5	Low	73 Å²	73	109.5 Å²	109.5	51%	0.51	50%	0.503	S	S	.	.			trans	64	147.9	-175.5	88.6	0	0	0	0	116	K613	S611-K613 VanDerWaalsContact C-N 3.31Å; S611-K613 PolarHBondContact O-N 3.35Å
612	K	55.3	Low	62.1	Low	188 Å²	188	108 Å²	108	82%	0.817	50%	0.496	S	S	*	.	S	Bend	trans	-79.8	-8.6	175.3	-70	-179.3	-178.3	170.5	0	113.7
613	K	53.7	Low	61.4	Low	174 Å²	174	103 Å²	103	76%	0.757	48%	0.479	S	S	*	.	S	Bend	trans	-98.5	-25.4	-169.8	-70.3	-174.5	175.9	-178	0	115	V593 S611	V593-K613 WeakPolarHBondContact CG2-O 3.19Å; S611-K613 VanDerWaalsContact C-N 3.31Å; S611-K613 PolarHBondContact O-N 3.35Å
614	H	58.7	Low	60.6	Low	140 Å²	140	105.2 Å²	105.2	65%	0.648	49%	0.487	S	S	*	.			trans	-115.5	51	-170.8	-61.9	116.4	0	0	0	114.2
615	R	70.6	Confident	59	Low	103 Å²	103	110.3 Å²	110.3	39%	0.389	52%	0.515	S	S	.	.			trans	-81.8	120.9	-179.7	-61.1	-171.1	178.8	167.8	6	111.5	S590 C592 V593 F604	S590-R615 PolarHBondContact OG-NH1 3.43Å; C592-R615 CarbonylContact C-O 3.55Å; C592-R615 WeakPolarHBondContact CA-O 3.12Å; V593-R615 PolarHBondContact N-O 2.9Å; F604-R615 HydrophobicContact CE1-CB 3.78Å; F604-R615 HydrophobicContact CE2-CB 4.49Å; F604-R615 HydrophobicContact CZ-CB 3.5Å
616	I	71.6	Confident	57.9	Low	56 Å²	56	115.5 Å²	115.5	29%	0.287	54%	0.537	S	S	.	.			trans	-115.2	134.6	174.4	-58.7	179	0	0	0	108.7	K594 F604 C620 M624	K594-I616 HydrophobicContact CB-CG2 4.23Å; F604-I616 WeakPolarHBondContact CE1-O 3.25Å; I616-C620 HydrophobicContact CG2-CB 3.37Å; I616-M624 HydrophobicContact CD1-SD 4.19Å
617	C	75.8	Confident	57.1	Low	1 Å²	1	109.6 Å²	109.6	1%	0.007	52%	0.524	C	S	.	.			trans	-77.5	155.5	-178.3	66.2	0	0	0	0	112.6	C592 L599 F604 T619 C620 T621	C592-C617 HydrophobicContact CB-CB 4.09Å; C592-C617 PolarHBondContact SG-N 3.31Å; C592-C617 VanDerWaalsContact SG-SG 3.63Å; L599-C617 HydrophobicContact CD1-CB 3.52Å; F604-C617 HydrophobicContact CD2-CB 4.45Å; F604-C617 HydrophobicContact CE2-CB 4.25Å; F604-C617 HydrophobicContact CZ-CB 4.29Å; C617-T619 VanDerWaalsContact C-N 3.27Å; C617-T619 PolarHBondContact O-N 3.32Å; C617-T619 VanDerWaalsContact O-N 3.12Å; C617-C620 CarbonylContact O-C 3.55Å; C617-C620 WeakPolarHBondContact O-CA 3.27Å; C617-C620 WeakPolarHBondContact O-CB 3.41Å; C617-C620 PolarHBondContact O-N 3.21Å; C617-T621 PolarHBondContact O-N 3.17Å; C617-T621 PolarHBondContact O-OG1 2.79Å
618	D	67.7	Low	56.1	Low	61 Å²	61	103 Å²	103	33%	0.326	52%	0.521	S	S	.	.	H	α-helix	trans	-46.1	-44	-177.2	-160.2	69.3	0	0	0	114.3	F604 T621 K622	F604-D618 PolarHBondContact O-N 3.49Å; D618-T621 PolarHBondContact O-N 2.85Å; D618-K622 WeakPolarHBondContact O-CB 3.48Å; D618-K622 WeakPolarHBondContact O-CG 3.14Å; D618-K622 PolarHBondContact O-N 3.43Å; D618-K622 VanDerWaalsContact OD2-CE 3.22Å; D618-K622 WeakPolarHBondContact OD2-CE 3.03Å; D618-K622 IonicContact OD2-NZ 3.03Å; D618-K622 PolarHBondContact OD2-NZ 3.42Å
619	T	67.8	Low	55.1	Low	68 Å²	68	100.8 Å²	100.8	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-41.3	175.3	-36.7	0	0	0	0	113	C617 T621 N623	C617-T619 VanDerWaalsContact C-N 3.27Å; C617-T619 PolarHBondContact O-N 3.32Å; C617-T619 VanDerWaalsContact O-N 3.12Å; T619-T621 VanDerWaalsContact C-N 3.35Å; T619-N623 WeakPolarHBondContact O-CB 3.36Å; T619-N623 PolarHBondContact O-N 2.98Å; T619-N623 PolarHBondContact O-ND2 3.45Å
620	C	72.4	Confident	54.5	Low	19 Å²	19	99.9 Å²	99.9	13%	0.128	52%	0.523	C	S	.	.	H	α-helix	trans	-75.3	-25.6	178.8	-77.9	0	0	0	0	112.7	K594 C595 I616 C617 N623 M624	K594-C620 HydrophobicContact CB-CB 4.19Å; K594-C620 HydrophobicContact CD-CB 4.09Å; K594-C620 HydrophobicContact CG-CB 4.49Å; C595-C620 VanDerWaalsContact SG-SG 3.6Å; I616-C620 HydrophobicContact CG2-CB 3.37Å; C617-C620 CarbonylContact O-C 3.55Å; C617-C620 WeakPolarHBondContact O-CA 3.27Å; C617-C620 WeakPolarHBondContact O-CB 3.41Å; C617-C620 PolarHBondContact O-N 3.21Å; C620-N623 CarbonylContact O-C 3.57Å; C620-M624 WeakPolarHBondContact O-CG 3.26Å
621	T	69.9	Low	53.7	Low	37 Å²	37	102.7 Å²	102.7	23%	0.227	53%	0.527	C	S	.	.	H	α-helix	trans	-75.7	-47.9	174.5	-52.7	0	0	0	0	111.2	C617 D618 T619 N623 M624	C617-T621 PolarHBondContact O-N 3.17Å; C617-T621 PolarHBondContact O-OG1 2.79Å; D618-T621 PolarHBondContact O-N 2.85Å; T619-T621 VanDerWaalsContact C-N 3.35Å; T621-N623 PolarHBondContact O-N 2.65Å; T621-M624 WeakPolarHBondContact O-CB 3.48Å; T621-M624 PolarHBondContact O-N 3.29Å
622	K	64.6	Low	52.6	Low	125 Å²	125	103.5 Å²	103.5	54%	0.543	53%	0.532	S	S	.	.	H	α-helix	trans	-58.6	-27.9	173	-74.7	167.4	171.7	165.8	0	112.8	D618 M624	D618-K622 WeakPolarHBondContact O-CB 3.48Å; D618-K622 WeakPolarHBondContact O-CG 3.14Å; D618-K622 PolarHBondContact O-N 3.43Å; D618-K622 VanDerWaalsContact OD2-CE 3.22Å; D618-K622 WeakPolarHBondContact OD2-CE 3.03Å; D618-K622 IonicContact OD2-NZ 3.03Å; D618-K622 PolarHBondContact OD2-NZ 3.42Å; K622-M624 VanDerWaalsContact C-N 3.3Å; K622-M624 PolarHBondContact O-N 3.39Å
623	N	58.3	Low	51.6	Low	92 Å²	92	105 Å²	105	49%	0.492	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	36.3	172.5	-60.8	-9.3	0	0	0	112.5	K594 T619 C620 T621	K594-N623 PolarHBondContact NZ-O 2.8Å; T619-N623 WeakPolarHBondContact O-CB 3.36Å; T619-N623 PolarHBondContact O-N 2.98Å; T619-N623 PolarHBondContact O-ND2 3.45Å; C620-N623 CarbonylContact O-C 3.57Å; T621-N623 PolarHBondContact O-N 2.65Å
624	M	53.9	Low	50.3	Low	80 Å²	80	99.4 Å²	99.4	39%	0.394	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-30.6	165	-72.9	174.9	92.4	0	0	111	K594 I616 C620 T621 K622 L626 D627	K594-M624 HydrophobicContact CD-SD 4Å; I616-M624 HydrophobicContact CD1-SD 4.19Å; C620-M624 WeakPolarHBondContact O-CG 3.26Å; T621-M624 WeakPolarHBondContact O-CB 3.48Å; T621-M624 PolarHBondContact O-N 3.29Å; K622-M624 VanDerWaalsContact C-N 3.3Å; K622-M624 PolarHBondContact O-N 3.39Å; M624-L626 PolarHBondContact O-N 2.9Å; M624-D627 PolarHBondContact O-N 2.92Å
625	D	42.7	Very low	49.1	Very low	128 Å²	128	99.9 Å²	99.9	68%	0.684	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	14.4	170.4	-53.6	-45.6	0	0	0	113.6
626	L	41	Very low	47.3	Very low	134 Å²	134	102.7 Å²	102.7	70%	0.702	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	15.1	-179.4	-68.3	175	0	0	0	112.9	M624 G628	M624-L626 PolarHBondContact O-N 2.9Å; L626-G628 PolarHBondContact O-N 3.28Å
627	D	36	Very low	45.7	Very low	124 Å²	124	105.2 Å²	105.2	66%	0.663	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	55.3	-178.2	-76.4	-31.6	0	0	0	112.9	M624	M624-D627 PolarHBondContact O-N 2.92Å
628	G	29.2	Very low	44.3	Very low	70 Å²	70	110 Å²	110	72%	0.722	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	1.4	172	0	0	0	0	0	114.7	L626	L626-G628 PolarHBondContact O-N 3.28Å
629	I	29.8	Very low	43.6	Very low	136 Å²	136	115.1 Å²	115.1	70%	0.697	63%	0.625	S	S	*	*	S	Bend	trans	-130.9	112.5	177.9	-57.5	176.9	0	0	0	109.2	R631	I629-R631 PolarHBondContact O-N 2.8Å; I629-R631 VanDerWaalsContact O-N 3.16Å
630	P	28.6	Very low	43.8	Very low	124 Å²	124	114.1 Å²	114.1	81%	0.805	61%	0.613	S	S	*	*			trans	-70.5	111.7	-178.6	28	-33.6	0	0	0	111	S632	P630-S632 PolarHBondContact O-N 3.49Å
631	R	29.1	Very low	43.7	Very low	224 Å²	224	123.5 Å²	123.5	85%	0.845	65%	0.646	S	S	*	*			trans	-87.5	89.7	172.6	-70.9	-171.8	-179.6	175.8	3.7	111.2	I629	I629-R631 PolarHBondContact O-N 2.8Å; I629-R631 VanDerWaalsContact O-N 3.16Å
632	S	28.6	Very low	44.1	Very low	89 Å²	89	123.6 Å²	123.6	62%	0.622	65%	0.645	S	S	*	*			trans	-59.1	135.2	158	52.6	0	0	0	0	109.8	P630 S634	P630-S632 PolarHBondContact O-N 3.49Å; S632-S634 VanDerWaalsContact C-N 3.28Å; S632-S634 PolarHBondContact O-N 2.87Å; S632-S634 PolarHBondContact OG-OG 2.6Å; S632-S634 VanDerWaalsContact OG-OG 3.09Å
633	F	32.9	Very low	44.8	Very low	221 Å²	221	122.1 Å²	122.1	97%	0.969	64%	0.643	S	S	*	*			trans	-76.9	81.4	172.2	-96	-98.2	0	0	0	109.7
634	S	27.5	Very low	46.2	Very low	56 Å²	56	117.8 Å²	117.8	39%	0.392	62%	0.619	S	S	.	*			trans	-136.3	85.9	-177.3	52.2	0	0	0	0	111.6	S632 Q636	S632-S634 VanDerWaalsContact C-N 3.28Å; S632-S634 PolarHBondContact O-N 2.87Å; S632-S634 PolarHBondContact OG-OG 2.6Å; S632-S634 VanDerWaalsContact OG-OG 3.09Å; S634-Q636 PolarHBondContact O-N 3.17Å
635	T	33	Very low	47.8	Very low	150 Å²	150	120.2 Å²	120.2	92%	0.92	63%	0.63	S	S	*	*	S	Bend	trans	46.7	10.5	144.8	46.7	0	0	0	0	121.9
636	Q	33.2	Very low	50	Low	162 Å²	162	116.8 Å²	116.8	76%	0.757	61%	0.611	S	S	*	*			trans	-117.4	15	-174.3	-67.6	-176.9	-26.7	0	0	114.9	S634 N638	S634-Q636 PolarHBondContact O-N 3.17Å; Q636-N638 PolarHBondContact O-N 2.87Å
637	S	37.4	Very low	52.4	Low	109 Å²	109	113 Å²	113	76%	0.762	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-8.3	-163.8	52.6	0	0	0	0	117.8
638	N	47.2	Very low	55.1	Low	101 Å²	101	107.2 Å²	107.2	54%	0.54	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	9.5	-167.1	-65.8	46.6	0	0	0	114.1	D546 Q636 R640	D546-N638 PolarHBondContact OD2-ND2 3.25Å; Q636-N638 PolarHBondContact O-N 2.87Å; N638-R640 PolarHBondContact O-N 3.47Å
639	M	53.3	Low	58	Low	169 Å²	169	109 Å²	109	83%	0.833	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.5	175.6	-62.2	-155.7	81	0	0	111.6
640	R	70.5	Confident	60.7	Low	47 Å²	47	104.8 Å²	104.8	18%	0.177	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-60	134	174.3	177.9	179.7	163	-105.3	-8.5	110.3	E500 D539 F542 N638 N642	E500-R640 IonicContact OE1-CZ 2.63Å; E500-R640 IonicContact OE1-NH2 3.06Å; E500-R640 PolarHBondContact OE1-NH2 2.58Å; D539-R640 WeakPolarHBondContact OD1-CD 3.4Å; D539-R640 IonicContact OD1-CZ 2.67Å; D539-R640 IonicContact OD1-NE 2.68Å; D539-R640 IonicContact OD1-NH1 3.15Å; D539-R640 PolarHBondContact OD1-NH1 3.49Å; F542-R640 HydrophobicContact CD1-CB 3.83Å; F542-R640 HydrophobicContact CD1-CG 4.44Å; F542-R640 HydrophobicContact CD2-CB 4.31Å; F542-R640 HydrophobicContact CD2-CG 4.03Å; F542-R640 HydrophobicContact CE1-CB 3.99Å; F542-R640 HydrophobicContact CE2-CB 4.45Å; F542-R640 HydrophobicContact CE2-CG 4.21Å; F542-R640 HydrophobicContact CG-CB 4Å; F542-R640 HydrophobicContact CG-CG 4.15Å; F542-R640 HydrophobicContact CZ-CB 4.3Å; N638-R640 PolarHBondContact O-N 3.47Å; R640-N642 PolarHBondContact O-N 2.89Å
641	R	71.9	Confident	63.4	Low	216 Å²	216	104.3 Å²	104.3	82%	0.815	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-75.5	122.2	168.8	-66.4	-176.7	179.9	-176	-2.6	109.8	L643	R641-L643 PolarHBondContact O-N 3.43Å
642	N	76.9	Confident	66.1	Low	39 Å²	39	94.7 Å²	94.7	21%	0.209	51%	0.512	C	S	.	.			trans	-71.5	113.2	168.5	179.6	4.1	0	0	0	109.1	R640 L644 Q645	R640-N642 PolarHBondContact O-N 2.89Å; N642-L644 PolarHBondContact O-N 3.35Å; N642-L644 PolarHBondContact OD1-N 2.94Å; N642-Q645 HydrophobicContact CB-CB 4.01Å; N642-Q645 PolarHBondContact O-N 3.33Å
643	L	80.5	Confident	69.2	Low	94 Å²	94	92 Å²	92	49%	0.492	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18	-179.3	-61.4	178.7	0	0	0	113.3	E500 R641 L646	E500-L643 HydrophobicContact CG-CB 4.12Å; E500-L643 HydrophobicContact CG-CD1 4.18Å; R641-L643 PolarHBondContact O-N 3.43Å; L643-L646 WeakPolarHBondContact O-CD1 3.43Å
644	L	86.6	Confident	72	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.005	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.1	176.7	-60	178.2	0	0	0	112.3	E500 N642 L646 Y682 C691 A692 M695	E500-L644 HydrophobicContact CG-CG 4.46Å; N642-L644 PolarHBondContact O-N 3.35Å; N642-L644 PolarHBondContact OD1-N 2.94Å; L644-L646 PolarHBondContact O-N 3.46Å; L644-Y682 HydrophobicContact CD2-CD1 4.39Å; L644-Y682 HydrophobicContact CD2-CE1 4.33Å; L644-C691 CarbonylContact O-C 3.57Å; L644-C691 VanDerWaalsContact O-CA 3.29Å; L644-C691 WeakPolarHBondContact O-CA 3.47Å; L644-C691 PolarHBondContact O-SG 2.78Å; L644-A692 HydrophobicContact CB-CB 4.31Å; L644-A692 HydrophobicContact CD2-CB 4.11Å; L644-A692 PolarHBondContact O-N 3.41Å; L644-M695 HydrophobicContact CD2-CB 4Å; L644-M695 HydrophobicContact CD2-CG 4.14Å; L644-M695 HydrophobicContact CD2-SD 4.27Å
645	Q	87.6	Confident	75.2	Confident	131 Å²	131	80.7 Å²	80.7	61%	0.612	44%	0.436	S	S	*	.			trans	-77.8	62.3	176.5	-165.4	176.9	6.7	0	0	111.2	N642	N642-Q645 HydrophobicContact CB-CB 4.01Å; N642-Q645 PolarHBondContact O-N 3.33Å
646	L	89.7	Confident	78.2	Confident	55 Å²	55	75.7 Å²	75.7	29%	0.288	41%	0.407	S	S	.	.			trans	-126.2	126.6	177.1	-64	174.4	0	0	0	107.5	L643 L644 Y682 Y684 I690	L643-L646 WeakPolarHBondContact O-CD1 3.43Å; L644-L646 PolarHBondContact O-N 3.46Å; L646-Y682 HydrophobicContact CD1-CE1 3.82Å; L646-Y682 HydrophobicContact CD1-CE2 4.19Å; L646-Y684 WeakPolarHBondContact O-CE1 3.35Å; L646-Y684 PolarHBondContact O-OH 2.93Å; L646-I690 CarbonylContact C-O 3.52Å
647	P	91.2	Very high	81.2	Confident	56 Å²	56	69 Å²	69	36%	0.364	38%	0.378	S	S	.	.			trans	-70.2	149.7	178.3	29.8	-35.5	0	0	0	112.1	K649 R676 Y684 D689	P647-K649 VanDerWaalsContact C-N 3.31Å; P647-K649 WeakPolarHBondContact CB-O 3.46Å; P647-K649 WeakPolarHBondContact CG-O 3.26Å; P647-K649 PolarHBondContact O-N 2.96Å; P647-R676 PolarHBondContact O-NH2 3.13Å; P647-Y684 PolarHBondContact O-OH 2.87Å; P647-D689 CarbonylContact C-O 3.5Å; P647-D689 WeakPolarHBondContact CA-O 3.24Å
648	A	91.4	Very high	84	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.008	36%	0.362	C	S	.	.	S	Bend	trans	-59.2	-41.9	177.3	0	0	0	0	0	112.1	F672 V674 Y684 D689	A648-F672 HydrophobicContact CB-CD1 3.93Å; A648-F672 HydrophobicContact CB-CE1 4.01Å; A648-V674 HydrophobicContact CB-CG2 4.44Å; A648-Y684 HydrophobicContact CB-CD1 3.92Å; A648-Y684 HydrophobicContact CB-CD2 3.92Å; A648-Y684 HydrophobicContact CB-CE1 3.98Å; A648-Y684 HydrophobicContact CB-CE2 4.04Å; A648-Y684 HydrophobicContact CB-CG 3.86Å; A648-D689 PolarHBondContact N-O 2.79Å
649	K	91.6	Very high	86.4	Confident	108 Å²	108	63.3 Å²	63.3	47%	0.47	34%	0.336	S	S	.	.	S	Bend	trans	-98.7	136.9	171.7	-65.4	169.5	-174.7	174.7	0	110.6	P647 E687	P647-K649 VanDerWaalsContact C-N 3.31Å; P647-K649 WeakPolarHBondContact CB-O 3.46Å; P647-K649 WeakPolarHBondContact CG-O 3.26Å; P647-K649 PolarHBondContact O-N 2.96Å; K649-E687 WeakPolarHBondContact CD-O 3.4Å; K649-E687 VanDerWaalsContact CE-O 3.28Å; K649-E687 WeakPolarHBondContact CE-O 3.46Å; K649-E687 WeakPolarHBondContact CE-OE1 3.32Å; K649-E687 WeakPolarHBondContact CE-OE2 3.26Å; K649-E687 WeakPolarHBondContact CG-O 3.45Å; K649-E687 IonicContact NZ-OE1 2.63Å; K649-E687 PolarHBondContact NZ-OE1 3.37Å; K649-E687 IonicContact NZ-OE2 3.04Å; K649-E687 PolarHBondContact NZ-OE2 2.77Å
650	G	86.4	Confident	88.4	Confident	48 Å²	48	61.2 Å²	61.2	50%	0.495	32%	0.319	S	S	.	.	S	Bend	trans	160.5	-171.3	174.1	0	0	0	0	0	114.1	V653	G650-V653 WeakPolarHBondContact O-CG2 3.49Å
651	S	84.4	Confident	89.5	Confident	114 Å²	114	59 Å²	59	80%	0.797	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	153.5	171.3	49.6	0	0	0	0	111.7	V653 R676	S651-V653 VanDerWaalsContact C-N 3.29Å; S651-V653 PolarHBondContact O-N 2.97Å; S651-R676 PolarHBondContact O-NH1 3.46Å
652	G	86.3	Confident	90.5	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	4.6	178.8	0	0	0	0	0	115.6	R676 D677	G652-R676 CarbonylContact O-C 3.41Å; G652-R676 WeakPolarHBondContact O-CA 3.47Å; G652-R676 WeakPolarHBondContact O-CB 3.43Å; G652-D677 VanDerWaalsContact CA-CG 3.48Å; G652-D677 WeakPolarHBondContact CA-OD2 3.41Å; G652-D677 PolarHBondContact O-N 2.9Å
653	V	92.9	Very high	91	Very high	32 Å²	32	53.4 Å²	53.4	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.2	170.8	176.6	0	0	0	0	109.7	G650 S651 V674	G650-V653 WeakPolarHBondContact O-CG2 3.49Å; S651-V653 VanDerWaalsContact C-N 3.29Å; S651-V653 PolarHBondContact O-N 2.97Å; V653-V674 HydrophobicContact CB-CG1 4.22Å; V653-V674 HydrophobicContact CG1-CG1 3.7Å; V653-V674 HydrophobicContact CG2-CG1 3.64Å
654	L	91.9	Very high	90.9	Very high	14 Å²	14	51.6 Å²	51.6	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-42.9	176.2	-53.8	179.7	0	0	0	111.3	Y103 L106 F107 V675 R676 D677 I738	Y103-L654 HydrophobicContact CD1-CD2 3.93Å; Y103-L654 HydrophobicContact CD2-CD2 4.13Å; Y103-L654 HydrophobicContact CE1-CD2 3.7Å; Y103-L654 HydrophobicContact CE2-CD2 3.93Å; Y103-L654 HydrophobicContact CG-CD2 4.13Å; L106-L654 HydrophobicContact CD2-CD1 3.69Å; L106-L654 HydrophobicContact CD2-CD2 3.86Å; L106-L654 HydrophobicContact CD2-CG 4.44Å; F107-L654 HydrophobicContact CZ-CD1 4.46Å; L654-V675 HydrophobicContact CD1-CG1 4.4Å; L654-V675 PolarHBondContact N-O 3.14Å; L654-R676 WeakPolarHBondContact CD1-O 3.45Å; L654-D677 HydrophobicContact CD2-CB 4.23Å; L654-I738 HydrophobicContact CB-CD1 3.95Å; L654-I738 HydrophobicContact CB-CG1 4.17Å; L654-I738 HydrophobicContact CD1-CD1 3.94Å
655	H	94.8	Very high	90.7	Very high	27 Å²	27	55.4 Å²	55.4	13%	0.125	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.8	176	-171.3	50	0	0	0	110.8	F99 V675 W735 I738	F99-H655 HydrophobicContact CZ-CB 4.26Å; H655-V675 PolarHBondContact N-O 3.32Å; H655-V675 PolarHBondContact O-N 3.46Å; H655-W735 AromaticContact CD2-CD1 3.93Å; H655-W735 AromaticContact CD2-CD2 3.73Å; H655-W735 AromaticContact CD2-CE2 3.63Å; H655-W735 AromaticContact CD2-CG 3.93Å; H655-W735 AromaticContact CD2-NE1 3.74Å; H655-W735 AromaticContact NE2-CD1 3.49Å; H655-W735 AromaticContact NE2-CE2 3.8Å; H655-W735 AromaticContact NE2-CG 3.92Å; H655-W735 AromaticContact NE2-NE1 3.4Å; H655-W735 PolarHBondContact NE2-NE1 3.27Å; H655-I738 HydrophobicContact CB-CB 4.42Å; H655-I738 HydrophobicContact CB-CG1 4.34Å; H655-I738 HydrophobicContact CB-CG2 3.97Å
656	S	96.2	Very high	90.6	Very high	44 Å²	44	50.9 Å²	50.9	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	145.6	175.7	56.7	0	0	0	0	112.5	M673	S656-M673 WeakPolarHBondContact CA-O 3.41Å; S656-M673 VanDerWaalsContact CB-O 3.25Å; S656-M673 WeakPolarHBondContact CB-O 3.41Å
657	S	96.9	Very high	90.5	Very high	21 Å²	21	54 Å²	54	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	172	168	77.4	0	0	0	0	110.2	M673 W735	S657-M673 PolarHBondContact N-O 3.24Å; S657-M673 VanDerWaalsContact N-O 3.17Å; S657-M673 PolarHBondContact O-N 2.89Å; S657-W735 PolarHBondContact OG-NE1 3.42Å
658	Q	96.8	Very high	90.5	Very high	91 Å²	91	55.8 Å²	55.8	43%	0.425	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	136.1	158.5	-164.9	68.4	-5.1	0	0	109.1	R671 F672	Q658-R671 VanDerWaalsContact OE1-C 3.27Å; Q658-R671 PolarHBondContact OE1-O 2.99Å; Q658-F672 VanDerWaalsContact OE1-CA 3.29Å; Q658-F672 VanDerWaalsContact OE1-N 3.1Å
659	I	96.2	Very high	90.7	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.5	173.1	-72	-64.4	0	0	0	109.4	F661 R671 M673 F712 M724 A726 W735	I659-F661 HydrophobicContact CG2-CB 4.27Å; I659-R671 PolarHBondContact N-O 3.45Å; I659-R671 PolarHBondContact O-N 3.17Å; I659-M673 HydrophobicContact CB-CB 4.48Å; I659-M673 HydrophobicContact CB-CE 4.21Å; I659-M673 HydrophobicContact CB-CG 3.98Å; I659-M673 HydrophobicContact CB-SD 3.94Å; I659-M673 HydrophobicContact CG1-CB 4.46Å; I659-M673 HydrophobicContact CG1-CG 4.47Å; I659-M673 HydrophobicContact CG1-SD 4.47Å; I659-M673 HydrophobicContact CG2-CE 3.89Å; I659-M673 HydrophobicContact CG2-SD 3.91Å; I659-F712 HydrophobicContact CD1-CE1 4.41Å; I659-F712 HydrophobicContact CD1-CZ 4.27Å; I659-M724 HydrophobicContact CG2-CB 4.05Å; I659-M724 HydrophobicContact CG2-CE 4.05Å; I659-M724 HydrophobicContact CG2-CG 4.42Å; I659-A726 HydrophobicContact CD1-CB 4.18Å; I659-W735 HydrophobicContact CD1-CG 4.45Å; I659-W735 HydrophobicContact CG1-CD2 4.48Å; I659-W735 HydrophobicContact CG1-CZ2 3.91Å
660	R	95.2	Very high	90.8	Very high	124 Å²	124	54 Å²	54	47%	0.468	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.6	165.8	175.1	163.1	-70.6	160.7	2.4	108.4	L668 D670 T725	R660-L668 HydrophobicContact CG-CD1 3.77Å; R660-L668 HydrophobicContact CG-CG 4.19Å; R660-D670 WeakPolarHBondContact CA-OD1 3.44Å; R660-D670 WeakPolarHBondContact CB-OD1 3.39Å; R660-D670 WeakPolarHBondContact CG-OD1 3.46Å; R660-D670 IonicContact CZ-OD1 3.96Å; R660-D670 IonicContact CZ-OD2 3.25Å; R660-D670 IonicContact NE-OD1 3.61Å; R660-D670 PolarHBondContact NE-OD1 3.22Å; R660-D670 IonicContact NE-OD2 3.39Å; R660-D670 PolarHBondContact NE-OD2 3.4Å; R660-D670 IonicContact NH2-OD1 2.64Å; R660-D670 IonicContact NH2-OD2 3.09Å; R660-D670 PolarHBondContact NH2-OD2 3.39Å; R660-T725 PolarHBondContact N-O 2.84Å; R660-T725 PolarHBondContact O-N 3.39Å
661	F	94.4	Very high	91.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163.8	178.8	82.2	-71.7	0	0	0	113.5	L504 E505 I659 L669 R671 M673 Y722 T723 M724	L504-F661 HydrophobicContact CB-CE2 3.66Å; L504-F661 HydrophobicContact CB-CZ 3.88Å; L504-F661 WeakPolarHBondContact O-CZ 3.37Å; E505-F661 HydrophobicContact CG-CE2 4.09Å; I659-F661 HydrophobicContact CG2-CB 4.27Å; F661-L669 HydrophobicContact CD1-CB 3.8Å; F661-L669 VanDerWaalsContact CD1-O 3.26Å; F661-L669 WeakPolarHBondContact CD1-O 3.41Å; F661-L669 HydrophobicContact CE1-CB 3.36Å; F661-L669 HydrophobicContact CE1-CD1 3.92Å; F661-L669 HydrophobicContact CE1-CG 4.29Å; F661-L669 HydrophobicContact CE2-CD1 4.28Å; F661-L669 HydrophobicContact CZ-CB 3.88Å; F661-L669 HydrophobicContact CZ-CD1 3.55Å; F661-L669 HydrophobicContact CZ-CG 4.37Å; F661-L669 PolarHBondContact N-O 3.34Å; F661-L669 PolarHBondContact O-N 2.8Å; F661-R671 HydrophobicContact CE1-CB 4.29Å; F661-R671 HydrophobicContact CE1-CG 3.79Å; F661-M673 HydrophobicContact CB-CE 4.07Å; F661-M673 HydrophobicContact CD1-CE 3.12Å; F661-M673 HydrophobicContact CD2-CE 4.3Å; F661-M673 HydrophobicContact CE1-CE 3.49Å; F661-M673 VanDerWaalsContact CE1-CE 3.49Å; F661-M673 HydrophobicContact CG-CE 3.59Å; F661-M673 HydrophobicContact CZ-CE 4.22Å; F661-Y722 AromaticContact CD2-CD1 3.97Å; F661-Y722 HydrophobicContact CD2-CD1 3.97Å; F661-Y722 HydrophobicContact CD2-CG 4.47Å; F661-Y722 AromaticContact CE2-CD1 3.94Å; F661-Y722 HydrophobicContact CE2-CD1 3.94Å; F661-Y722 HydrophobicContact CE2-CE1 4.41Å; F661-T723 CarbonylContact C-O 3.57Å; F661-T723 VanDerWaalsContact CA-O 3.23Å; F661-T723 WeakPolarHBondContact CA-O 3.46Å; F661-T723 WeakPolarHBondContact CB-O 3.46Å; F661-M724 HydrophobicContact CB-CB 4.44Å; F661-M724 HydrophobicContact CB-CG 3.87Å
662	R	91.9	Very high	91.9	Very high	126 Å²	126	49.1 Å²	49.1	48%	0.475	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131	174.5	172.1	-177.7	-75.1	146.2	-1	108.4	G666 K667 L668 Y722 T723	R662-G666 PolarHBondContact NE-O 3.5Å; R662-K667 WeakPolarHBondContact CA-O 3.35Å; R662-L668 HydrophobicContact CB-CD1 4.34Å; R662-Y722 CarbonylContact O-C 3.54Å; R662-Y722 WeakPolarHBondContact O-CA 3.4Å; R662-T723 PolarHBondContact N-O 2.79Å; R662-T723 PolarHBondContact O-N 2.76Å
663	G	87.4	Confident	92.5	Very high	10 Å²	10	48.1 Å²	48.1	10%	0.103	25%	0.246	C	C	.	.			trans	-101.1	-156.7	174	0	0	0	0	0	113.4	E505 L665 G666 M721	E505-G663 VanDerWaalsContact CD-N 3.25Å; E505-G663 VanDerWaalsContact OE1-CA 3.3Å; E505-G663 WeakPolarHBondContact OE1-CA 3.38Å; E505-G663 PolarHBondContact OE1-N 3.43Å; E505-G663 WeakPolarHBondContact OE2-CA 3.28Å; G663-L665 PolarHBondContact O-N 3.43Å; G663-G666 PolarHBondContact O-N 3.14Å; G663-G666 VanDerWaalsContact O-N 3.17Å; G663-M721 CarbonylContact C-O 3.52Å; G663-M721 VanDerWaalsContact CA-O 3.27Å; G663-M721 WeakPolarHBondContact CA-O 3.21Å
664	S	79.9	Confident	92.7	Very high	56 Å²	56	46.6 Å²	46.6	39%	0.392	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.7	179.5	38.2	0	0	0	0	113.9	E457 E505 G666	E457-S664 VanDerWaalsContact OE2-CB 3.25Å; E457-S664 WeakPolarHBondContact OE2-CB 3.43Å; E457-S664 PolarHBondContact OE2-OG 2.99Å; E505-S664 PolarHBondContact OE2-N 3.29Å; S664-G666 VanDerWaalsContact C-N 3.33Å
665	L	82.2	Confident	92.8	Very high	81 Å²	81	46 Å²	46	42%	0.424	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.7	173.1	-55.6	176.1	0	0	0	113.2	E505 R506 G663 K667	E505-L665 HydrophobicContact CB-CD1 4.05Å; E505-L665 WeakPolarHBondContact OE2-CB 3.45Å; E505-L665 WeakPolarHBondContact OE2-CG 3.37Å; E505-L665 PolarHBondContact OE2-N 2.64Å; R506-L665 HydrophobicContact CG-CD1 4.21Å; G663-L665 PolarHBondContact O-N 3.43Å; L665-K667 PolarHBondContact O-N 3.38Å
666	G	84	Confident	92.7	Very high	37 Å²	37	45.4 Å²	45.4	38%	0.381	23%	0.23	S	C	.	.			trans	75.9	-3.7	179.8	0	0	0	0	0	114.7	R662 G663 S664 L668	R662-G666 PolarHBondContact NE-O 3.5Å; G663-G666 PolarHBondContact O-N 3.14Å; G663-G666 VanDerWaalsContact O-N 3.17Å; S664-G666 VanDerWaalsContact C-N 3.33Å; G666-L668 PolarHBondContact O-N 3.43Å
667	K	87.8	Confident	92.3	Very high	121 Å²	121	47.4 Å²	47.4	53%	0.526	24%	0.237	S	C	.	.			trans	-66.5	123.2	179.8	-169.3	-176.9	-179.3	-172.4	0	108.7	E505 R662 L665 L669	E505-K667 PolarHBondContact OE1-N 2.85Å; R662-K667 WeakPolarHBondContact CA-O 3.35Å; L665-K667 PolarHBondContact O-N 3.38Å; K667-L669 HydrophobicContact CD-CD1 4.3Å; K667-L669 HydrophobicContact CD-CD2 3.87Å; K667-L669 HydrophobicContact CD-CG 4.06Å; K667-L669 HydrophobicContact CG-CD2 4.28Å; K667-L669 HydrophobicContact CG-CG 4.12Å
668	L	92.3	Very high	91.7	Very high	93 Å²	93	49.2 Å²	49.2	49%	0.487	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.2	170.7	-163.7	67.6	0	0	0	108.3	R660 R662 G666	R660-L668 HydrophobicContact CG-CD1 3.77Å; R660-L668 HydrophobicContact CG-CG 4.19Å; R662-L668 HydrophobicContact CB-CD1 4.34Å; G666-L668 PolarHBondContact O-N 3.43Å
669	L	94.3	Very high	91.3	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.3	-176.6	-75	173.8	0	0	0	109.6	E505 F661 K667	E505-L669 HydrophobicContact CB-CD1 4.49Å; E505-L669 HydrophobicContact CG-CD1 4.23Å; F661-L669 HydrophobicContact CD1-CB 3.8Å; F661-L669 VanDerWaalsContact CD1-O 3.26Å; F661-L669 WeakPolarHBondContact CD1-O 3.41Å; F661-L669 HydrophobicContact CE1-CB 3.36Å; F661-L669 HydrophobicContact CE1-CD1 3.92Å; F661-L669 HydrophobicContact CE1-CG 4.29Å; F661-L669 HydrophobicContact CE2-CD1 4.28Å; F661-L669 HydrophobicContact CZ-CB 3.88Å; F661-L669 HydrophobicContact CZ-CD1 3.55Å; F661-L669 HydrophobicContact CZ-CG 4.37Å; F661-L669 PolarHBondContact N-O 3.34Å; F661-L669 PolarHBondContact O-N 2.8Å; K667-L669 HydrophobicContact CD-CD1 4.3Å; K667-L669 HydrophobicContact CD-CD2 3.87Å; K667-L669 HydrophobicContact CD-CG 4.06Å; K667-L669 HydrophobicContact CG-CD2 4.28Å; K667-L669 HydrophobicContact CG-CG 4.12Å
670	D	95.4	Very high	91	Very high	60 Å²	60	46.3 Å²	46.3	32%	0.321	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.9	167.8	-64.7	-21	0	0	0	108.3	R660	R660-D670 WeakPolarHBondContact CA-OD1 3.44Å; R660-D670 WeakPolarHBondContact CB-OD1 3.39Å; R660-D670 WeakPolarHBondContact CG-OD1 3.46Å; R660-D670 IonicContact CZ-OD1 3.96Å; R660-D670 IonicContact CZ-OD2 3.25Å; R660-D670 IonicContact NE-OD1 3.61Å; R660-D670 PolarHBondContact NE-OD1 3.22Å; R660-D670 IonicContact NE-OD2 3.39Å; R660-D670 PolarHBondContact NE-OD2 3.4Å; R660-D670 IonicContact NH2-OD1 2.64Å; R660-D670 IonicContact NH2-OD2 3.09Å; R660-D670 PolarHBondContact NH2-OD2 3.39Å
671	R	96.3	Very high	91	Very high	41 Å²	41	40.4 Å²	40.4	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.1	-177.8	-70.3	-68.7	174	-111.9	21.4	109.9	E507 Q658 I659 F661 M673 Y684	E507-R671 IonicContact OE1-CZ 3.95Å; E507-R671 IonicContact OE1-NE 2.75Å; E507-R671 PolarHBondContact OE1-NE 3.21Å; E507-R671 VanDerWaalsContact OE1-NE 3.1Å; E507-R671 IonicContact OE1-NH2 3.16Å; E507-R671 PolarHBondContact OE1-NH2 3.5Å; E507-R671 IonicContact OE2-NH2 3.66Å; Q658-R671 VanDerWaalsContact OE1-C 3.27Å; Q658-R671 PolarHBondContact OE1-O 2.99Å; I659-R671 PolarHBondContact N-O 3.45Å; I659-R671 PolarHBondContact O-N 3.17Å; F661-R671 HydrophobicContact CE1-CB 4.29Å; F661-R671 HydrophobicContact CE1-CG 3.79Å; R671-M673 HydrophobicContact CB-CE 4.21Å; R671-M673 HydrophobicContact CB-CG 4.32Å; R671-Y684 WeakPolarHBondContact CA-O 3.14Å; R671-Y684 WeakPolarHBondContact CB-O 3.46Å; R671-Y684 WeakPolarHBondContact CD-O 3.43Å
672	F	97.4	Very high	91	Very high	18 Å²	18	40.6 Å²	40.6	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125	162.2	-170.7	-102.4	0	0	0	107.5	A648 Q658 V674 Y684 E687	A648-F672 HydrophobicContact CB-CD1 3.93Å; A648-F672 HydrophobicContact CB-CE1 4.01Å; Q658-F672 VanDerWaalsContact OE1-CA 3.29Å; Q658-F672 VanDerWaalsContact OE1-N 3.1Å; F672-V674 HydrophobicContact CD1-CG2 3.72Å; F672-V674 HydrophobicContact CE1-CG2 3.56Å; F672-Y684 HydrophobicContact CD1-CD2 4.49Å; F672-Y684 PolarHBondContact N-O 3.04Å; F672-Y684 PolarHBondContact O-N 2.83Å; F672-E687 HydrophobicContact CD1-CB 3.83Å; F672-E687 HydrophobicContact CD2-CB 3.73Å; F672-E687 HydrophobicContact CE1-CB 3.73Å; F672-E687 HydrophobicContact CE2-CB 3.63Å; F672-E687 HydrophobicContact CG-CB 3.81Å; F672-E687 HydrophobicContact CZ-CB 3.62Å
673	M	97.4	Very high	91.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.7	-174.8	-64	-156.1	-177.8	0	0	110.9	S656 S657 I659 F661 R671 M681 Y682 T683 M724 W735	S656-M673 WeakPolarHBondContact CA-O 3.41Å; S656-M673 VanDerWaalsContact CB-O 3.25Å; S656-M673 WeakPolarHBondContact CB-O 3.41Å; S657-M673 PolarHBondContact N-O 3.24Å; S657-M673 VanDerWaalsContact N-O 3.17Å; S657-M673 PolarHBondContact O-N 2.89Å; I659-M673 HydrophobicContact CB-CB 4.48Å; I659-M673 HydrophobicContact CB-CE 4.21Å; I659-M673 HydrophobicContact CB-CG 3.98Å; I659-M673 HydrophobicContact CB-SD 3.94Å; I659-M673 HydrophobicContact CG1-CB 4.46Å; I659-M673 HydrophobicContact CG1-CG 4.47Å; I659-M673 HydrophobicContact CG1-SD 4.47Å; I659-M673 HydrophobicContact CG2-CE 3.89Å; I659-M673 HydrophobicContact CG2-SD 3.91Å; F661-M673 HydrophobicContact CB-CE 4.07Å; F661-M673 HydrophobicContact CD1-CE 3.12Å; F661-M673 HydrophobicContact CD2-CE 4.3Å; F661-M673 HydrophobicContact CE1-CE 3.49Å; F661-M673 VanDerWaalsContact CE1-CE 3.49Å; F661-M673 HydrophobicContact CG-CE 3.59Å; F661-M673 HydrophobicContact CZ-CE 4.22Å; R671-M673 HydrophobicContact CB-CE 4.21Å; R671-M673 HydrophobicContact CB-CG 4.32Å; M673-M681 HydrophobicContact SD-CE 4.34Å; M673-M681 HydrophobicContact SD-SD 4.14Å; M673-Y682 WeakPolarHBondContact CA-O 3.35Å; M673-T683 HydrophobicContact CE-CG2 4.02Å; M673-T683 HydrophobicContact CG-CG2 4.11Å; M673-T683 HydrophobicContact SD-CG2 4.22Å; M673-M724 HydrophobicContact CE-CE 4.41Å; M673-M724 HydrophobicContact SD-CE 3.56Å; M673-M724 VanDerWaalsContact SD-CE 3.56Å; M673-W735 HydrophobicContact CB-CH2 3.49Å; M673-W735 VanDerWaalsContact CB-CH2 3.49Å; M673-W735 HydrophobicContact CB-CZ2 3.8Å; M673-W735 HydrophobicContact CB-CZ3 4.49Å
674	V	97.3	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.8	-172.6	-172.9	0	0	0	0	109.8	A648 V653 F672 R676 M681 Y682 Y684	A648-V674 HydrophobicContact CB-CG2 4.44Å; V653-V674 HydrophobicContact CB-CG1 4.22Å; V653-V674 HydrophobicContact CG1-CG1 3.7Å; V653-V674 HydrophobicContact CG2-CG1 3.64Å; F672-V674 HydrophobicContact CD1-CG2 3.72Å; F672-V674 HydrophobicContact CE1-CG2 3.56Å; V674-R676 HydrophobicContact CG1-CG 4.05Å; V674-M681 CarbonylContact O-C 3.6Å; V674-M681 WeakPolarHBondContact O-CA 3.43Å; V674-Y682 PolarHBondContact N-O 3.17Å; V674-Y682 PolarHBondContact O-N 3.28Å; V674-Y684 HydrophobicContact CB-CE2 3.96Å; V674-Y684 HydrophobicContact CG2-CD2 3.76Å; V674-Y684 HydrophobicContact CG2-CE2 3.53Å
675	V	95.3	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.4	168.8	-173.8	0	0	0	0	109.1	L654 H655 M681 L698 W735 I738 L739	L654-V675 HydrophobicContact CD1-CG1 4.4Å; L654-V675 PolarHBondContact N-O 3.14Å; H655-V675 PolarHBondContact N-O 3.32Å; H655-V675 PolarHBondContact O-N 3.46Å; V675-M681 HydrophobicContact CG2-CB 4.37Å; V675-M681 HydrophobicContact CG2-CG 4.22Å; V675-M681 HydrophobicContact CG2-SD 4.44Å; V675-L698 HydrophobicContact CG1-CD1 3.68Å; V675-L698 HydrophobicContact CG2-CD1 4.19Å; V675-W735 HydrophobicContact CG2-CE3 4.26Å; V675-W735 HydrophobicContact CG2-CH2 4.03Å; V675-W735 HydrophobicContact CG2-CZ3 3.43Å; V675-W735 VanDerWaalsContact CG2-CZ3 3.43Å; V675-I738 HydrophobicContact CB-CG1 4.32Å; V675-I738 HydrophobicContact CG1-CG1 4.1Å; V675-I738 HydrophobicContact CG2-CG2 4.27Å; V675-L739 HydrophobicContact CG2-CD2 4.1Å
676	R	92.9	Very high	92.9	Very high	15 Å²	15	32.8 Å²	32.8	6%	0.057	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	166.7	-176.6	-70.4	-179.3	156	-76.9	-1	113.3	P647 S651 G652 L654 V674 D678 F679 C680 Y682	P647-R676 PolarHBondContact O-NH2 3.13Å; S651-R676 PolarHBondContact O-NH1 3.46Å; G652-R676 CarbonylContact O-C 3.41Å; G652-R676 WeakPolarHBondContact O-CA 3.47Å; G652-R676 WeakPolarHBondContact O-CB 3.43Å; L654-R676 WeakPolarHBondContact CD1-O 3.45Å; V674-R676 HydrophobicContact CG1-CG 4.05Å; R676-D678 WeakPolarHBondContact CB-OD1 3.24Å; R676-D678 PolarHBondContact O-N 3.09Å; R676-F679 WeakPolarHBondContact O-CA 3.22Å; R676-F679 PolarHBondContact O-N 3.11Å; R676-C680 PolarHBondContact N-O 3.25Å; R676-Y682 HydrophobicContact CB-CD2 4.42Å; R676-Y682 HydrophobicContact CB-CE2 4.25Å; R676-Y682 HydrophobicContact CG-CD2 4.12Å; R676-Y682 HydrophobicContact CG-CE2 4.31Å
677	D	87.9	Confident	93.4	Very high	86 Å²	86	35.1 Å²	35.1	46%	0.46	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.8	179.4	59.2	-9.2	0	0	0	115	L106 G652 L654 F679	L106-D677 WeakPolarHBondContact CD1-O 3.49Å; L106-D677 HydrophobicContact CD2-CB 4.44Å; G652-D677 VanDerWaalsContact CA-CG 3.48Å; G652-D677 WeakPolarHBondContact CA-OD2 3.41Å; G652-D677 PolarHBondContact O-N 2.9Å; L654-D677 HydrophobicContact CD2-CB 4.23Å; D677-F679 VanDerWaalsContact C-N 3.28Å
678	D	83.9	Confident	93.6	Very high	60 Å²	60	36.6 Å²	36.6	32%	0.321	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.1	165	68.4	-5.9	0	0	0	113.8	R676 C680 Y682	R676-D678 WeakPolarHBondContact CB-OD1 3.24Å; R676-D678 PolarHBondContact O-N 3.09Å; D678-C680 PolarHBondContact O-N 3.31Å; D678-C680 WeakPolarHBondContact OD1-CB 3.14Å; D678-C680 PolarHBondContact OD1-N 3.23Å; D678-Y682 PolarHBondContact OD2-OH 2.97Å
679	F	88	Confident	93.6	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.07	18%	0.179	C	C	.	.	S	Bend	trans	61	19.1	-172.3	-49.5	-67.2	0	0	0	115	L106 F107 R676 D677 L698 P699 A742 A745	L106-F679 HydrophobicContact CD1-CE1 3.72Å; L106-F679 HydrophobicContact CD1-CE2 3.98Å; L106-F679 HydrophobicContact CD1-CZ 3.31Å; L106-F679 HydrophobicContact CD2-CE1 3.98Å; L106-F679 HydrophobicContact CD2-CZ 4.39Å; L106-F679 HydrophobicContact CG-CE1 3.58Å; L106-F679 HydrophobicContact CG-CZ 3.53Å; F107-F679 HydrophobicContact CD1-CE1 4.32Å; F107-F679 AromaticContact CE1-CE1 3.74Å; F107-F679 HydrophobicContact CE1-CE1 3.74Å; F107-F679 HydrophobicContact CZ-CE1 4.43Å; R676-F679 WeakPolarHBondContact O-CA 3.22Å; R676-F679 PolarHBondContact O-N 3.11Å; D677-F679 VanDerWaalsContact C-N 3.28Å; F679-L698 VanDerWaalsContact O-CB 3.28Å; F679-L698 WeakPolarHBondContact O-CB 3.47Å; F679-L698 WeakPolarHBondContact O-CG 3.43Å; F679-L698 PolarHBondContact O-N 3.24Å; F679-L698 VanDerWaalsContact O-N 3.11Å; F679-P699 HydrophobicContact CB-CG 3.51Å; F679-P699 HydrophobicContact CD2-CG 4.44Å; F679-P699 HydrophobicContact CG-CG 4.24Å; F679-P699 WeakPolarHBondContact O-CD 3.36Å; F679-A742 HydrophobicContact CB-CB 4.31Å; F679-A742 HydrophobicContact CD1-CB 3.91Å; F679-A745 HydrophobicContact CD1-CB 3.78Å; F679-A745 HydrophobicContact CD2-CB 4.14Å; F679-A745 HydrophobicContact CE1-CB 3.39Å; F679-A745 HydrophobicContact CE2-CB 3.78Å; F679-A745 HydrophobicContact CG-CB 4.13Å; F679-A745 HydrophobicContact CZ-CB 3.38Å
680	C	90.8	Very high	93.4	Very high	14 Å²	14	39.8 Å²	39.8	10%	0.095	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.1	170.7	-65	0	0	0	0	110.7	R676 D678 Y682 M695 L696	R676-C680 PolarHBondContact N-O 3.25Å; D678-C680 PolarHBondContact O-N 3.31Å; D678-C680 WeakPolarHBondContact OD1-CB 3.14Å; D678-C680 PolarHBondContact OD1-N 3.23Å; C680-Y682 HydrophobicContact CB-CD2 4.16Å; C680-Y682 HydrophobicContact CB-CE2 3.44Å; C680-Y682 VanDerWaalsContact CB-CE2 3.44Å; C680-M695 HydrophobicContact CB-CE 3.95Å; C680-L696 WeakPolarHBondContact CA-O 3.49Å
681	M	94.6	Very high	93.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.8	168.3	-175.7	169.8	68.1	0	0	109	L504 M673 V674 V675 M695 L696 L698 M724 W735 L739	L504-M681 HydrophobicContact CD1-CE 3.55Å; M673-M681 HydrophobicContact SD-CE 4.34Å; M673-M681 HydrophobicContact SD-SD 4.14Å; V674-M681 CarbonylContact O-C 3.6Å; V674-M681 WeakPolarHBondContact O-CA 3.43Å; V675-M681 HydrophobicContact CG2-CB 4.37Å; V675-M681 HydrophobicContact CG2-CG 4.22Å; V675-M681 HydrophobicContact CG2-SD 4.44Å; M681-M695 CarbonylContact O-C 3.23Å; M681-M695 VanDerWaalsContact O-CA 3.31Å; M681-M695 WeakPolarHBondContact O-CA 3.24Å; M681-L696 HydrophobicContact CE-CD2 4.21Å; M681-L696 PolarHBondContact N-O 3.39Å; M681-L696 PolarHBondContact O-N 2.91Å; M681-L698 HydrophobicContact CB-CD1 4.14Å; M681-L698 HydrophobicContact CB-CD2 3.85Å; M681-L698 HydrophobicContact CB-CG 4.05Å; M681-L698 HydrophobicContact CE-CD2 4.38Å; M681-M724 HydrophobicContact CE-CE 3.9Å; M681-M724 HydrophobicContact CE-SD 4.43Å; M681-M724 HydrophobicContact SD-CE 3.95Å; M681-W735 HydrophobicContact CG-CZ3 4.45Å; M681-W735 HydrophobicContact SD-CH2 4.22Å; M681-W735 HydrophobicContact SD-CZ3 3.62Å; M681-L739 HydrophobicContact SD-CD2 3.97Å
682	Y	95	Very high	92.9	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146	-178	-68	-92.4	0	0	0	110.2	L644 L646 M673 V674 R676 D678 C680 A692 M695	L644-Y682 HydrophobicContact CD2-CD1 4.39Å; L644-Y682 HydrophobicContact CD2-CE1 4.33Å; L646-Y682 HydrophobicContact CD1-CE1 3.82Å; L646-Y682 HydrophobicContact CD1-CE2 4.19Å; M673-Y682 WeakPolarHBondContact CA-O 3.35Å; V674-Y682 PolarHBondContact N-O 3.17Å; V674-Y682 PolarHBondContact O-N 3.28Å; R676-Y682 HydrophobicContact CB-CD2 4.42Å; R676-Y682 HydrophobicContact CB-CE2 4.25Å; R676-Y682 HydrophobicContact CG-CD2 4.12Å; R676-Y682 HydrophobicContact CG-CE2 4.31Å; D678-Y682 PolarHBondContact OD2-OH 2.97Å; C680-Y682 HydrophobicContact CB-CD2 4.16Å; C680-Y682 HydrophobicContact CB-CE2 3.44Å; C680-Y682 VanDerWaalsContact CB-CE2 3.44Å; Y682-A692 HydrophobicContact CD1-CB 3.79Å; Y682-A692 HydrophobicContact CG-CB 4.45Å; Y682-M695 HydrophobicContact CD1-CB 3.68Å; Y682-M695 HydrophobicContact CE1-CB 3.6Å; Y682-M695 HydrophobicContact CE1-CE 4.08Å; Y682-M695 HydrophobicContact CE1-SD 4.34Å; Y682-M695 HydrophobicContact CG-CB 4.43Å; Y682-M695 WeakPolarHBondContact OH-CE 3.47Å
683	T	95.5	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.3	178.7	58.8	0	0	0	0	111.8	L504 M673 A692 L693 A694	L504-T683 HydrophobicContact CD2-CG2 3.86Å; M673-T683 HydrophobicContact CE-CG2 4.02Å; M673-T683 HydrophobicContact CG-CG2 4.11Å; M673-T683 HydrophobicContact SD-CG2 4.22Å; T683-A692 WeakPolarHBondContact O-CA 3.4Å; T683-L693 PolarHBondContact O-N 3.17Å; T683-A694 PolarHBondContact N-O 3.22Å; T683-A694 VanDerWaalsContact N-O 3.08Å; T683-A694 PolarHBondContact OG1-N 3.01Å
684	Y	95.9	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.6	-175.2	-59.3	-92.2	0	0	0	110.1	L646 P647 A648 R671 F672 V674 S686 D689 C691 A692	L646-Y684 WeakPolarHBondContact O-CE1 3.35Å; L646-Y684 PolarHBondContact O-OH 2.93Å; P647-Y684 PolarHBondContact O-OH 2.87Å; A648-Y684 HydrophobicContact CB-CD1 3.92Å; A648-Y684 HydrophobicContact CB-CD2 3.92Å; A648-Y684 HydrophobicContact CB-CE1 3.98Å; A648-Y684 HydrophobicContact CB-CE2 4.04Å; A648-Y684 HydrophobicContact CB-CG 3.86Å; R671-Y684 WeakPolarHBondContact CA-O 3.14Å; R671-Y684 WeakPolarHBondContact CB-O 3.46Å; R671-Y684 WeakPolarHBondContact CD-O 3.43Å; F672-Y684 HydrophobicContact CD1-CD2 4.49Å; F672-Y684 PolarHBondContact N-O 3.04Å; F672-Y684 PolarHBondContact O-N 2.83Å; V674-Y684 HydrophobicContact CB-CE2 3.96Å; V674-Y684 HydrophobicContact CG2-CD2 3.76Å; V674-Y684 HydrophobicContact CG2-CE2 3.53Å; Y684-S686 WeakPolarHBondContact CB-O 3.37Å; Y684-D689 HydrophobicContact CD1-CB 3.6Å; Y684-D689 HydrophobicContact CE1-CB 4.47Å; Y684-D689 HydrophobicContact CG-CB 4.31Å; Y684-C691 WeakPolarHBondContact CD1-O 3.41Å; Y684-A692 HydrophobicContact CD1-CB 4.24Å; Y684-A692 VanDerWaalsContact CE1-CA 3.47Å; Y684-A692 HydrophobicContact CE1-CB 3.74Å; Y684-A692 VanDerWaalsContact CE1-N 3.33Å; Y684-A692 HydrophobicContact CE2-CB 4.35Å
685	S	94.2	Very high	92.1	Very high	65 Å²	65	39.1 Å²	39.1	46%	0.455	21%	0.211	S	C	.	.	S	Bend	trans	-76	-40.1	170.9	-71.8	0	0	0	0	110.8	D689	S685-D689 WeakPolarHBondContact CA-OD2 3.19Å; S685-D689 WeakPolarHBondContact CB-OD2 3.37Å; S685-D689 PolarHBondContact N-OD2 2.78Å
686	S	94.2	Very high	91.9	Very high	45 Å²	45	39.1 Å²	39.1	32%	0.315	21%	0.211	S	C	.	.	S	Bend	trans	-131.4	158.2	-179.1	-177.8	0	0	0	0	111.3	Y684 E688 D689	Y684-S686 WeakPolarHBondContact CB-O 3.37Å; S686-E688 PolarHBondContact O-N 2.59Å; S686-E688 PolarHBondContact OG-N 2.92Å; S686-D689 PolarHBondContact N-OD2 3.06Å; S686-D689 WeakPolarHBondContact O-CB 3.37Å; S686-D689 PolarHBondContact O-N 3.12Å
687	E	94.6	Very high	91.7	Very high	86 Å²	86	41 Å²	41	40%	0.402	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-4.9	170	60.6	151.5	-151.3	0	0	114	K649 F672	K649-E687 WeakPolarHBondContact CD-O 3.4Å; K649-E687 VanDerWaalsContact CE-O 3.28Å; K649-E687 WeakPolarHBondContact CE-O 3.46Å; K649-E687 WeakPolarHBondContact CE-OE1 3.32Å; K649-E687 WeakPolarHBondContact CE-OE2 3.26Å; K649-E687 WeakPolarHBondContact CG-O 3.45Å; K649-E687 IonicContact NZ-OE1 2.63Å; K649-E687 PolarHBondContact NZ-OE1 3.37Å; K649-E687 IonicContact NZ-OE2 3.04Å; K649-E687 PolarHBondContact NZ-OE2 2.77Å; F672-E687 HydrophobicContact CD1-CB 3.83Å; F672-E687 HydrophobicContact CD2-CB 3.73Å; F672-E687 HydrophobicContact CE1-CB 3.73Å; F672-E687 HydrophobicContact CE2-CB 3.63Å; F672-E687 HydrophobicContact CG-CB 3.81Å; F672-E687 HydrophobicContact CZ-CB 3.62Å
688	E	92.9	Very high	91.7	Very high	152 Å²	152	37 Å²	37	71%	0.71	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-9.2	174.3	-57.1	-169.5	144.4	0	0	113.2	S686 I690	S686-E688 PolarHBondContact O-N 2.59Å; S686-E688 PolarHBondContact OG-N 2.92Å; E688-I690 PolarHBondContact O-N 2.89Å
689	D	91.6	Very high	91.7	Very high	45 Å²	45	35.2 Å²	35.2	24%	0.241	20%	0.196	C	C	.	.			trans	-63.8	129	-173.6	-74	-17.8	0	0	0	112.3	P647 A648 Y684 S685 S686 C691	P647-D689 CarbonylContact C-O 3.5Å; P647-D689 WeakPolarHBondContact CA-O 3.24Å; A648-D689 PolarHBondContact N-O 2.79Å; Y684-D689 HydrophobicContact CD1-CB 3.6Å; Y684-D689 HydrophobicContact CE1-CB 4.47Å; Y684-D689 HydrophobicContact CG-CB 4.31Å; S685-D689 WeakPolarHBondContact CA-OD2 3.19Å; S685-D689 WeakPolarHBondContact CB-OD2 3.37Å; S685-D689 PolarHBondContact N-OD2 2.78Å; S686-D689 PolarHBondContact N-OD2 3.06Å; S686-D689 WeakPolarHBondContact O-CB 3.37Å; S686-D689 PolarHBondContact O-N 3.12Å; D689-C691 VanDerWaalsContact C-N 3.31Å
690	I	90.4	Very high	91.2	Very high	127 Å²	127	37.2 Å²	37.2	65%	0.651	22%	0.221	S	C	*	.	S	Bend	trans	-85.2	0	176.8	64.5	170.2	0	0	0	114.1	L646 E688	L646-I690 CarbonylContact C-O 3.52Å; E688-I690 PolarHBondContact O-N 2.89Å
691	C	90	Very high	90.9	Very high	45 Å²	45	37.3 Å²	37.3	30%	0.304	22%	0.221	S	C	.	.	S	Bend	trans	-147.4	132.3	-178.8	-172.8	0	0	0	0	110.5	L644 Y684 D689	L644-C691 CarbonylContact O-C 3.57Å; L644-C691 VanDerWaalsContact O-CA 3.29Å; L644-C691 WeakPolarHBondContact O-CA 3.47Å; L644-C691 PolarHBondContact O-SG 2.78Å; Y684-C691 WeakPolarHBondContact CD1-O 3.41Å; D689-C691 VanDerWaalsContact C-N 3.31Å
692	A	91.7	Very high	90.3	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.033	24%	0.236	C	C	.	.			trans	-73.7	153.1	174.3	0	0	0	0	0	111.9	L644 Y682 T683 Y684	L644-A692 HydrophobicContact CB-CB 4.31Å; L644-A692 HydrophobicContact CD2-CB 4.11Å; L644-A692 PolarHBondContact O-N 3.41Å; Y682-A692 HydrophobicContact CD1-CB 3.79Å; Y682-A692 HydrophobicContact CG-CB 4.45Å; T683-A692 WeakPolarHBondContact O-CA 3.4Å; Y684-A692 HydrophobicContact CD1-CB 4.24Å; Y684-A692 VanDerWaalsContact CE1-CA 3.47Å; Y684-A692 HydrophobicContact CE1-CB 3.74Å; Y684-A692 VanDerWaalsContact CE1-N 3.33Å; Y684-A692 HydrophobicContact CE2-CB 4.35Å
693	L	91.4	Very high	89.9	Confident	33 Å²	33	40.4 Å²	40.4	17%	0.173	24%	0.236	C	C	.	.	S	Bend	trans	-88.9	-39	177.6	-56.2	169.6	0	0	0	111.4	E507 T683	E507-L693 HydrophobicContact CG-CB 3.89Å; T683-L693 PolarHBondContact O-N 3.17Å
694	A	91.2	Very high	89	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	165.6	173.6	0	0	0	0	0	110.7	L504 T683	L504-A694 HydrophobicContact CD2-CB 4.24Å; T683-A694 PolarHBondContact N-O 3.22Å; T683-A694 VanDerWaalsContact N-O 3.08Å; T683-A694 PolarHBondContact OG1-N 3.01Å
695	M	91.6	Very high	87.9	Confident	18 Å²	18	48.8 Å²	48.8	9%	0.089	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.6	169.7	68.6	-175.8	-61	0	0	110	E500 D502 L644 C680 M681 Y682	E500-M695 HydrophobicContact CB-SD 3.91Å; E500-M695 HydrophobicContact CG-SD 4.39Å; D502-M695 CarbonylContact C-O 3.53Å; D502-M695 WeakPolarHBondContact CA-O 3.39Å; L644-M695 HydrophobicContact CD2-CB 4Å; L644-M695 HydrophobicContact CD2-CG 4.14Å; L644-M695 HydrophobicContact CD2-SD 4.27Å; C680-M695 HydrophobicContact CB-CE 3.95Å; M681-M695 CarbonylContact O-C 3.23Å; M681-M695 VanDerWaalsContact O-CA 3.31Å; M681-M695 WeakPolarHBondContact O-CA 3.24Å; Y682-M695 HydrophobicContact CD1-CB 3.68Å; Y682-M695 HydrophobicContact CE1-CB 3.6Å; Y682-M695 HydrophobicContact CE1-CE 4.08Å; Y682-M695 HydrophobicContact CE1-SD 4.34Å; Y682-M695 HydrophobicContact CG-CB 4.43Å; Y682-M695 WeakPolarHBondContact OH-CE 3.47Å
696	L	91.4	Very high	86.7	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	115.6	169.6	171.1	60.6	0	0	0	109	L504 C680 M681 L698 V714 V716 Y722	L504-L696 HydrophobicContact CD1-CB 4.28Å; L504-L696 HydrophobicContact CD1-CD2 3.93Å; L504-L696 HydrophobicContact CD2-CB 3.73Å; L504-L696 HydrophobicContact CG-CB 4.11Å; L504-L696 HydrophobicContact CG-CD2 4.35Å; C680-L696 WeakPolarHBondContact CA-O 3.49Å; M681-L696 HydrophobicContact CE-CD2 4.21Å; M681-L696 PolarHBondContact N-O 3.39Å; M681-L696 PolarHBondContact O-N 2.91Å; L696-L698 HydrophobicContact CD2-CD2 4.45Å; L696-L698 PolarHBondContact O-N 3.12Å; L696-L698 VanDerWaalsContact O-N 3.13Å; L696-V714 HydrophobicContact CD2-CG1 4.32Å; L696-V716 HydrophobicContact CD1-CB 4.5Å; L696-V716 HydrophobicContact CD1-CG1 3.92Å; L696-V716 HydrophobicContact CD1-CG2 3.74Å; L696-V716 HydrophobicContact CD2-CG2 3.78Å; L696-V716 HydrophobicContact CG-CG2 4.4Å; L696-Y722 HydrophobicContact CD2-CD2 4.17Å; L696-Y722 HydrophobicContact CD2-CE2 4.1Å
697	P	89.4	Confident	84.6	Confident	55 Å²	55	47.3 Å²	47.3	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	111.9	166.7	-21.3	34.1	0	0	0	110	P699	P697-P699 VanDerWaalsContact C-CD 3.42Å
698	L	87.4	Confident	83.2	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	28%	0.278	C	S	.	.			trans	-68.7	-33	177.5	-58.7	173.7	0	0	0	114.9	V675 F679 M681 L696 G700 C701 L739 A742 A743	V675-L698 HydrophobicContact CG1-CD1 3.68Å; V675-L698 HydrophobicContact CG2-CD1 4.19Å; F679-L698 VanDerWaalsContact O-CB 3.28Å; F679-L698 WeakPolarHBondContact O-CB 3.47Å; F679-L698 WeakPolarHBondContact O-CG 3.43Å; F679-L698 PolarHBondContact O-N 3.24Å; F679-L698 VanDerWaalsContact O-N 3.11Å; M681-L698 HydrophobicContact CB-CD1 4.14Å; M681-L698 HydrophobicContact CB-CD2 3.85Å; M681-L698 HydrophobicContact CB-CG 4.05Å; M681-L698 HydrophobicContact CE-CD2 4.38Å; L696-L698 HydrophobicContact CD2-CD2 4.45Å; L696-L698 PolarHBondContact O-N 3.12Å; L696-L698 VanDerWaalsContact O-N 3.13Å; L698-G700 PolarHBondContact O-N 3.37Å; L698-G700 VanDerWaalsContact O-N 3.12Å; L698-C701 VanDerWaalsContact O-CB 3.22Å; L698-C701 WeakPolarHBondContact O-CB 3.43Å; L698-C701 PolarHBondContact O-N 3.31Å; L698-C701 PolarHBondContact O-SG 2.74Å; L698-L739 HydrophobicContact CD1-CD2 3.66Å; L698-L739 HydrophobicContact CD2-CD2 3.69Å; L698-L739 HydrophobicContact CG-CD2 4.33Å; L698-A742 HydrophobicContact CB-CB 4.05Å; L698-A742 HydrophobicContact CD1-CB 3.57Å; L698-A742 HydrophobicContact CG-CB 4.48Å; L698-A743 WeakPolarHBondContact O-CA 3.44Å
699	P	83.2	Confident	82.1	Confident	22 Å²	22	49.8 Å²	49.8	14%	0.143	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	115.7	-169.7	-25.3	35	0	0	0	113.6	F679 P697 A742 A743 L747	F679-P699 HydrophobicContact CB-CG 3.51Å; F679-P699 HydrophobicContact CD2-CG 4.44Å; F679-P699 HydrophobicContact CG-CG 4.24Å; F679-P699 WeakPolarHBondContact O-CD 3.36Å; P697-P699 VanDerWaalsContact C-CD 3.42Å; P699-A742 WeakPolarHBondContact CA-O 3.22Å; P699-A743 WeakPolarHBondContact CA-O 3.11Å; P699-L747 HydrophobicContact CB-CD1 4.1Å; P699-L747 HydrophobicContact CB-CG 3.94Å; P699-L747 HydrophobicContact CG-CD1 4.32Å; P699-L747 HydrophobicContact CG-CD2 3.99Å; P699-L747 HydrophobicContact CG-CG 3.92Å
700	G	79	Confident	81.7	Confident	58 Å²	58	49.8 Å²	49.8	60%	0.598	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	2.8	-172.7	0	0	0	0	0	115.4	L698 A743	L698-G700 PolarHBondContact O-N 3.37Å; L698-G700 VanDerWaalsContact O-N 3.12Å; G700-A743 PolarHBondContact N-O 3.09Å
701	C	84.6	Confident	81.2	Confident	16 Å²	16	44 Å²	44	11%	0.108	25%	0.247	C	C	.	.			trans	-73.8	160.6	166.4	-64.4	0	0	0	0	111.6	L698 V714 R715 A743	L698-C701 VanDerWaalsContact O-CB 3.22Å; L698-C701 WeakPolarHBondContact O-CB 3.43Å; L698-C701 PolarHBondContact O-N 3.31Å; L698-C701 PolarHBondContact O-SG 2.74Å; C701-V714 HydrophobicContact CB-CG1 3.92Å; C701-R715 WeakPolarHBondContact CA-O 3.48Å; C701-A743 WeakPolarHBondContact O-CB 3.28Å
702	E	82.1	Confident	81.1	Confident	66 Å²	66	41.8 Å²	41.8	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.5	175.5	-177.3	-165.7	167	0	0	109.4	K704 R715	E702-K704 WeakPolarHBondContact OE1-CD 3.34Å; E702-K704 WeakPolarHBondContact OE1-CE 3.46Å; E702-K704 IonicContact OE1-NZ 2.74Å; E702-K704 PolarHBondContact OE1-NZ 3.32Å; E702-R715 HydrophobicContact CB-CB 4.29Å; E702-R715 PolarHBondContact N-O 2.8Å; E702-R715 PolarHBondContact O-N 3.16Å; E702-R715 IonicContact OE1-NH1 3.46Å; E702-R715 PolarHBondContact OE1-NH1 3.17Å; E702-R715 WeakPolarHBondContact OE2-CD 3.48Å; E702-R715 IonicContact OE2-CZ 3.86Å; E702-R715 IonicContact OE2-NE 2.71Å; E702-R715 IonicContact OE2-NH1 3.34Å; E702-R715 PolarHBondContact OE2-NH1 3.18Å
703	V	85.2	Confident	81	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.5	-178.5	-174.9	0	0	0	0	109.4	L116 S713 L736 L739 A743	L116-V703 HydrophobicContact CD1-CG1 4.18Å; L116-V703 VanDerWaalsContact CD2-O 3.27Å; L116-V703 WeakPolarHBondContact CD2-O 3.47Å; V703-S713 WeakPolarHBondContact CA-O 3.47Å; V703-L736 HydrophobicContact CG1-CD2 3.83Å; V703-L739 HydrophobicContact CG1-CB 4.17Å; V703-L739 HydrophobicContact CG2-CB 3.86Å; V703-A743 HydrophobicContact CG2-CB 4.14Å
704	K	76.9	Confident	81	Confident	99 Å²	99	40.3 Å²	40.3	43%	0.43	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.9	178.6	-82	-177.1	165.7	160.9	0	112.7	E702 F712 S713	E702-K704 WeakPolarHBondContact OE1-CD 3.34Å; E702-K704 WeakPolarHBondContact OE1-CE 3.46Å; E702-K704 IonicContact OE1-NZ 2.74Å; E702-K704 PolarHBondContact OE1-NZ 3.32Å; K704-F712 CarbonylContact O-C 3.57Å; K704-F712 WeakPolarHBondContact O-CA 3.3Å; K704-S713 PolarHBondContact N-O 2.83Å; K704-S713 PolarHBondContact O-N 3.04Å; K704-S713 PolarHBondContact O-OG 3.12Å
705	M	72.7	Confident	80.8	Confident	77 Å²	77	43.3 Å²	43.3	38%	0.379	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	149	163.4	-66.9	-170.8	72.9	0	0	110.8	F88 M89 L736	F88-M705 HydrophobicContact CD1-CE 3.6Å; F88-M705 HydrophobicContact CD1-SD 3.77Å; F88-M705 HydrophobicContact CD2-CE 4.36Å; F88-M705 HydrophobicContact CE1-CE 3.26Å; F88-M705 HydrophobicContact CE1-SD 3.49Å; F88-M705 WeakPolarHBondContact CE1-SD 3.45Å; F88-M705 HydrophobicContact CE2-CE 4.06Å; F88-M705 HydrophobicContact CG-CE 4.16Å; F88-M705 HydrophobicContact CZ-CE 3.5Å; F88-M705 HydrophobicContact CZ-SD 4.28Å; M89-M705 HydrophobicContact SD-SD 4.49Å; M705-L736 HydrophobicContact CE-CD1 4.35Å; M705-L736 HydrophobicContact CG-CD1 3.64Å; M705-L736 HydrophobicContact CG-CD2 4.1Å; M705-L736 HydrophobicContact SD-CD1 4.24Å
706	C	69.1	Low	80.4	Confident	43 Å²	43	43.5 Å²	43.5	29%	0.291	24%	0.237	S	C	.	.			trans	-117.3	157.4	176	-74.1	0	0	0	0	110.4	E708 T711	C706-E708 VanDerWaalsContact C-N 3.25Å; C706-E708 PolarHBondContact O-N 2.96Å; C706-T711 WeakPolarHBondContact CB-OG1 3.42Å; C706-T711 PolarHBondContact N-O 3.17Å
707	G	51.2	Low	79.7	Confident	36 Å²	36	46 Å²	46	37%	0.371	26%	0.263	S	S	.	.	S	Bend	trans	-78.9	2.6	-175.6	0	0	0	0	0	115.7
708	E	65	Low	78.8	Confident	124 Å²	124	48.3 Å²	48.3	58%	0.579	29%	0.287	S	S	*	.	S	Bend	trans	-98.9	148.5	175.1	-60.8	-172.5	151.3	0	0	110.2	C706 F710 T711	C706-E708 VanDerWaalsContact C-N 3.25Å; C706-E708 PolarHBondContact O-N 2.96Å; E708-F710 PolarHBondContact O-N 2.85Å; E708-T711 VanDerWaalsContact C-OG1 3.31Å; E708-T711 WeakPolarHBondContact CA-OG1 3.07Å; E708-T711 HydrophobicContact CB-CG2 3.68Å; E708-T711 WeakPolarHBondContact CB-OG1 3.12Å; E708-T711 PolarHBondContact N-OG1 3.48Å; E708-T711 WeakPolarHBondContact O-CB 3.46Å; E708-T711 PolarHBondContact O-N 2.87Å; E708-T711 VanDerWaalsContact O-N 3.07Å; E708-T711 PolarHBondContact O-OG1 2.86Å
709	K	69.6	Low	77.8	Confident	165 Å²	165	55.1 Å²	55.1	72%	0.717	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128.7	-173.2	-177.3	173.6	174.5	-178.6	0	111.5	T711	K709-T711 PolarHBondContact O-N 3.14Å
710	F	82.6	Confident	77.8	Confident	46 Å²	46	55.6 Å²	55.6	20%	0.202	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	17.7	-178.3	-47.5	-30.6	0	0	0	115.5	E708 A726 E727 E729	E708-F710 PolarHBondContact O-N 2.85Å; F710-A726 HydrophobicContact CB-CB 4.37Å; F710-A726 WeakPolarHBondContact CB-O 3.12Å; F710-A726 PolarHBondContact O-N 3.35Å; F710-E727 WeakPolarHBondContact CD2-O 3.48Å; F710-E727 WeakPolarHBondContact CE2-O 3.26Å; F710-E729 HydrophobicContact CD1-CB 4.17Å; F710-E729 HydrophobicContact CE1-CB 3.73Å; F710-E729 HydrophobicContact CE1-CG 4.45Å
711	T	80.4	Confident	78.3	Confident	4 Å²	4	56 Å²	56	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.5	-177.8	67.7	0	0	0	0	114.5	C706 E708 K709 M724 T725 Q732	C706-T711 WeakPolarHBondContact CB-OG1 3.42Å; C706-T711 PolarHBondContact N-O 3.17Å; E708-T711 VanDerWaalsContact C-OG1 3.31Å; E708-T711 WeakPolarHBondContact CA-OG1 3.07Å; E708-T711 HydrophobicContact CB-CG2 3.68Å; E708-T711 WeakPolarHBondContact CB-OG1 3.12Å; E708-T711 PolarHBondContact N-OG1 3.48Å; E708-T711 WeakPolarHBondContact O-CB 3.46Å; E708-T711 PolarHBondContact O-N 2.87Å; E708-T711 VanDerWaalsContact O-N 3.07Å; E708-T711 PolarHBondContact O-OG1 2.86Å; K709-T711 PolarHBondContact O-N 3.14Å; T711-M724 CarbonylContact C-O 3.51Å; T711-M724 VanDerWaalsContact CA-O 3.26Å; T711-M724 WeakPolarHBondContact CA-O 3.29Å; T711-T725 HydrophobicContact CG2-CG2 4.14Å; T711-Q732 PolarHBondContact O-NE2 3.38Å
712	F	87.4	Confident	78.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	175.3	170.8	56.7	-81.3	0	0	0	109.5	I659 K704 M724 A726 Q732 W735 L736 L739	I659-F712 HydrophobicContact CD1-CE1 4.41Å; I659-F712 HydrophobicContact CD1-CZ 4.27Å; K704-F712 CarbonylContact O-C 3.57Å; K704-F712 WeakPolarHBondContact O-CA 3.3Å; F712-M724 HydrophobicContact CD1-CB 4.34Å; F712-M724 HydrophobicContact CD2-CB 3.9Å; F712-M724 HydrophobicContact CD2-SD 4.19Å; F712-M724 HydrophobicContact CE1-CB 4Å; F712-M724 HydrophobicContact CE2-CB 3.51Å; F712-M724 HydrophobicContact CE2-CE 3.68Å; F712-M724 HydrophobicContact CE2-CG 4.11Å; F712-M724 HydrophobicContact CE2-SD 3.56Å; F712-M724 VanDerWaalsContact CE2-SD 3.56Å; F712-M724 HydrophobicContact CG-CB 4.3Å; F712-M724 HydrophobicContact CZ-CB 3.57Å; F712-M724 HydrophobicContact CZ-CE 3.96Å; F712-M724 HydrophobicContact CZ-CG 4.5Å; F712-M724 HydrophobicContact CZ-SD 4.3Å; F712-M724 PolarHBondContact N-O 3.01Å; F712-M724 PolarHBondContact O-N 3.03Å; F712-A726 HydrophobicContact CE1-CB 4.39Å; F712-Q732 HydrophobicContact CD1-CG 4.1Å; F712-W735 HydrophobicContact CE1-CB 3.92Å; F712-W735 HydrophobicContact CE1-CG 4.31Å; F712-W735 HydrophobicContact CE2-CB 4.12Å; F712-W735 HydrophobicContact CZ-CB 3.56Å; F712-W735 HydrophobicContact CZ-CD2 4.24Å; F712-W735 AromaticContact CZ-CG 3.79Å; F712-W735 HydrophobicContact CZ-CG 3.79Å; F712-L736 HydrophobicContact CB-CD2 3.69Å; F712-L736 HydrophobicContact CB-CG 4.16Å; F712-L736 HydrophobicContact CG-CD2 4.3Å; F712-L736 HydrophobicContact CG-CG 4.45Å; F712-L739 HydrophobicContact CD2-CD1 3.98Å; F712-L739 HydrophobicContact CE2-CD1 3.44Å; F712-L739 VanDerWaalsContact CE2-CD1 3.44Å; F712-L739 HydrophobicContact CZ-CD1 4.36Å
713	S	89	Confident	79.1	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.7	177.1	57.4	0	0	0	0	111.8	V703 K704 Y722	V703-S713 WeakPolarHBondContact CA-O 3.47Å; K704-S713 PolarHBondContact N-O 2.83Å; K704-S713 PolarHBondContact O-N 3.04Å; K704-S713 PolarHBondContact O-OG 3.12Å; S713-Y722 CarbonylContact C-O 3.38Å; S713-Y722 VanDerWaalsContact CA-O 3.23Å; S713-Y722 WeakPolarHBondContact CA-O 3.37Å
714	V	91.6	Very high	79.5	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.8	171.2	179.9	0	0	0	0	107.5	L696 C701 M721 Y722 M724 L739	L696-V714 HydrophobicContact CD2-CG1 4.32Å; C701-V714 HydrophobicContact CB-CG1 3.92Å; V714-M721 WeakPolarHBondContact O-CA 3.37Å; V714-Y722 PolarHBondContact N-O 3.02Å; V714-Y722 PolarHBondContact O-N 3.32Å; V714-M724 HydrophobicContact CB-SD 4.26Å; V714-M724 HydrophobicContact CG2-SD 3.67Å; V714-L739 HydrophobicContact CG2-CD1 3.83Å
715	R	86.6	Confident	80.3	Confident	67 Å²	67	51.6 Å²	51.6	25%	0.253	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.4	176.5	-177.6	-170.2	-70.6	101.6	3.9	109.9	C701 E702 G717 R720	C701-R715 WeakPolarHBondContact CA-O 3.48Å; E702-R715 HydrophobicContact CB-CB 4.29Å; E702-R715 PolarHBondContact N-O 2.8Å; E702-R715 PolarHBondContact O-N 3.16Å; E702-R715 IonicContact OE1-NH1 3.46Å; E702-R715 PolarHBondContact OE1-NH1 3.17Å; E702-R715 WeakPolarHBondContact OE2-CD 3.48Å; E702-R715 IonicContact OE2-CZ 3.86Å; E702-R715 IonicContact OE2-NE 2.71Å; E702-R715 IonicContact OE2-NH1 3.34Å; E702-R715 PolarHBondContact OE2-NH1 3.18Å; R715-G717 WeakPolarHBondContact CD-O 3.45Å; R715-G717 VanDerWaalsContact CG-O 3.26Å; R715-G717 WeakPolarHBondContact CG-O 3.37Å; R715-R720 CarbonylContact C-O 3.59Å; R715-R720 WeakPolarHBondContact CA-O 3.14Å; R715-R720 WeakPolarHBondContact CG-O 3.14Å
716	V	84.9	Confident	81.2	Confident	21 Å²	21	48.2 Å²	48.2	13%	0.127	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	93.3	-176.8	-169.1	0	0	0	0	108.8	L696 R720 Y722	L696-V716 HydrophobicContact CD1-CB 4.5Å; L696-V716 HydrophobicContact CD1-CG1 3.92Å; L696-V716 HydrophobicContact CD1-CG2 3.74Å; L696-V716 HydrophobicContact CD2-CG2 3.78Å; L696-V716 HydrophobicContact CG-CG2 4.4Å; V716-R720 HydrophobicContact CB-CB 4.16Å; V716-R720 PolarHBondContact N-O 3.29Å; V716-Y722 HydrophobicContact CG2-CD2 4.22Å; V716-Y722 HydrophobicContact CG2-CE2 3.94Å
717	G	75.6	Confident	82.1	Confident	53 Å²	53	53.9 Å²	53.9	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-149.3	-172.3	0	0	0	0	0	112.8	R715	R715-G717 WeakPolarHBondContact CD-O 3.45Å; R715-G717 VanDerWaalsContact CG-O 3.26Å; R715-G717 WeakPolarHBondContact CG-O 3.37Å
718	A	69.7	Low	83.8	Confident	104 Å²	104	54.6 Å²	54.6	86%	0.86	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4	-170	0	0	0	0	0	115.9
719	R	67.3	Low	84.4	Confident	145 Å²	145	53.5 Å²	53.5	55%	0.547	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-46.9	-167	-70.3	-177.2	174.5	158	-1.3	115.2	S454 T455	S454-R719 WeakPolarHBondContact O-CD 3.42Å; S454-R719 PolarHBondContact O-NH1 2.71Å; T455-R719 PolarHBondContact OG1-NH1 2.76Å
720	R	84.3	Confident	85	Confident	33 Å²	33	50.3 Å²	50.3	13%	0.125	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.5	-177.9	-70.3	-178.2	-65.2	-175.7	1.7	110.9	E457 D502 R715 V716	E457-R720 VanDerWaalsContact OE1-CG 3.27Å; E457-R720 WeakPolarHBondContact OE1-CG 3.27Å; D502-R720 IonicContact OD1-CZ 3.01Å; D502-R720 IonicContact OD1-NH1 2.71Å; D502-R720 PolarHBondContact OD1-NH1 2.98Å; D502-R720 IonicContact OD1-NH2 3.2Å; D502-R720 PolarHBondContact OD1-NH2 3.4Å; D502-R720 VanDerWaalsContact OD1-NH2 3.12Å; D502-R720 IonicContact OD2-CZ 2.77Å; D502-R720 IonicContact OD2-NH1 3.95Å; D502-R720 IonicContact OD2-NH2 3.61Å; D502-R720 PolarHBondContact OD2-NH2 2.85Å; R715-R720 CarbonylContact C-O 3.59Å; R715-R720 WeakPolarHBondContact CA-O 3.14Å; R715-R720 WeakPolarHBondContact CG-O 3.14Å; V716-R720 HydrophobicContact CB-CB 4.16Å; V716-R720 PolarHBondContact N-O 3.29Å
721	M	87.7	Confident	85.3	Confident	66 Å²	66	49.3 Å²	49.3	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.5	174.1	178.6	-171.7	-55.2	0	0	108.3	G663 V714	G663-M721 CarbonylContact C-O 3.52Å; G663-M721 VanDerWaalsContact CA-O 3.27Å; G663-M721 WeakPolarHBondContact CA-O 3.21Å; V714-M721 WeakPolarHBondContact O-CA 3.37Å
722	Y	92.3	Very high	85.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.9	169.7	-55.8	-69.5	0	0	0	108.1	N503 L504 E505 F661 R662 L696 S713 V714 V716	N503-Y722 PolarHBondContact OD1-OH 3.28Å; L504-Y722 HydrophobicContact CB-CD1 4.27Å; L504-Y722 HydrophobicContact CB-CE1 3.89Å; L504-Y722 HydrophobicContact CB-CE2 4.39Å; L504-Y722 HydrophobicContact CD1-CD2 3.95Å; L504-Y722 HydrophobicContact CD1-CE2 4.1Å; L504-Y722 HydrophobicContact CD1-CG 4.19Å; L504-Y722 HydrophobicContact CG-CD2 4.42Å; L504-Y722 HydrophobicContact CG-CE1 4.46Å; L504-Y722 HydrophobicContact CG-CE2 4.07Å; L504-Y722 PolarHBondContact N-OH 2.8Å; E505-Y722 HydrophobicContact CG-CE1 4.21Å; F661-Y722 AromaticContact CD2-CD1 3.97Å; F661-Y722 HydrophobicContact CD2-CD1 3.97Å; F661-Y722 HydrophobicContact CD2-CG 4.47Å; F661-Y722 AromaticContact CE2-CD1 3.94Å; F661-Y722 HydrophobicContact CE2-CD1 3.94Å; F661-Y722 HydrophobicContact CE2-CE1 4.41Å; R662-Y722 CarbonylContact O-C 3.54Å; R662-Y722 WeakPolarHBondContact O-CA 3.4Å; L696-Y722 HydrophobicContact CD2-CD2 4.17Å; L696-Y722 HydrophobicContact CD2-CE2 4.1Å; S713-Y722 CarbonylContact C-O 3.38Å; S713-Y722 VanDerWaalsContact CA-O 3.23Å; S713-Y722 WeakPolarHBondContact CA-O 3.37Å; V714-Y722 PolarHBondContact N-O 3.02Å; V714-Y722 PolarHBondContact O-N 3.32Å; V716-Y722 HydrophobicContact CG2-CD2 4.22Å; V716-Y722 HydrophobicContact CG2-CE2 3.94Å
723	T	91.4	Very high	85.4	Confident	46 Å²	46	50.2 Å²	50.2	28%	0.282	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.3	167.1	-61	0	0	0	0	107.6	F661 R662	F661-T723 CarbonylContact C-O 3.57Å; F661-T723 VanDerWaalsContact CA-O 3.23Å; F661-T723 WeakPolarHBondContact CA-O 3.46Å; F661-T723 WeakPolarHBondContact CB-O 3.46Å; R662-T723 PolarHBondContact N-O 2.79Å; R662-T723 PolarHBondContact O-N 2.76Å
724	M	94.3	Very high	85.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.5	-167.5	-61.8	168.4	73.1	0	0	108.9	I659 F661 M673 M681 T711 F712 V714	I659-M724 HydrophobicContact CG2-CB 4.05Å; I659-M724 HydrophobicContact CG2-CE 4.05Å; I659-M724 HydrophobicContact CG2-CG 4.42Å; F661-M724 HydrophobicContact CB-CB 4.44Å; F661-M724 HydrophobicContact CB-CG 3.87Å; M673-M724 HydrophobicContact CE-CE 4.41Å; M673-M724 HydrophobicContact SD-CE 3.56Å; M673-M724 VanDerWaalsContact SD-CE 3.56Å; M681-M724 HydrophobicContact CE-CE 3.9Å; M681-M724 HydrophobicContact CE-SD 4.43Å; M681-M724 HydrophobicContact SD-CE 3.95Å; T711-M724 CarbonylContact C-O 3.51Å; T711-M724 VanDerWaalsContact CA-O 3.26Å; T711-M724 WeakPolarHBondContact CA-O 3.29Å; F712-M724 HydrophobicContact CD1-CB 4.34Å; F712-M724 HydrophobicContact CD2-CB 3.9Å; F712-M724 HydrophobicContact CD2-SD 4.19Å; F712-M724 HydrophobicContact CE1-CB 4Å; F712-M724 HydrophobicContact CE2-CB 3.51Å; F712-M724 HydrophobicContact CE2-CE 3.68Å; F712-M724 HydrophobicContact CE2-CG 4.11Å; F712-M724 HydrophobicContact CE2-SD 3.56Å; F712-M724 VanDerWaalsContact CE2-SD 3.56Å; F712-M724 HydrophobicContact CG-CB 4.3Å; F712-M724 HydrophobicContact CZ-CB 3.57Å; F712-M724 HydrophobicContact CZ-CE 3.96Å; F712-M724 HydrophobicContact CZ-CG 4.5Å; F712-M724 HydrophobicContact CZ-SD 4.3Å; F712-M724 PolarHBondContact N-O 3.01Å; F712-M724 PolarHBondContact O-N 3.03Å; V714-M724 HydrophobicContact CB-SD 4.26Å; V714-M724 HydrophobicContact CG2-SD 3.67Å
725	T	92.9	Very high	85.5	Confident	48 Å²	48	52.5 Å²	52.5	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119	-176.7	-52.9	0	0	0	0	108.8	R660 T711	R660-T725 PolarHBondContact N-O 2.84Å; R660-T725 PolarHBondContact O-N 3.39Å; T711-T725 HydrophobicContact CG2-CG2 4.14Å
726	A	91.7	Very high	85.5	Confident	6 Å²	6	49.3 Å²	49.3	5%	0.05	27%	0.267	C	S	.	.			trans	-81.4	161.7	170.5	0	0	0	0	0	111.5	I659 F710 F712 T731 Q732	I659-A726 HydrophobicContact CD1-CB 4.18Å; F710-A726 HydrophobicContact CB-CB 4.37Å; F710-A726 WeakPolarHBondContact CB-O 3.12Å; F710-A726 PolarHBondContact O-N 3.35Å; F712-A726 HydrophobicContact CE1-CB 4.39Å; A726-T731 HydrophobicContact CB-CG2 3.91Å; A726-Q732 HydrophobicContact CB-CB 4Å
727	E	89.6	Confident	85.5	Confident	162 Å²	162	48.3 Å²	48.3	76%	0.757	26%	0.261	S	S	*	.	S	Bend	trans	-65.8	-40.1	173.4	-176.3	172.3	-178.5	0	0	112.1	F710	F710-E727 WeakPolarHBondContact CD2-O 3.48Å; F710-E727 WeakPolarHBondContact CE2-O 3.26Å
728	D	85.2	Confident	86.3	Confident	50 Å²	50	45.8 Å²	45.8	27%	0.267	24%	0.235	S	C	.	.	S	Bend	trans	-145.9	173.6	-173.4	74.7	90.8	0	0	0	113.3	Q730 T731 Q732	D728-Q730 VanDerWaalsContact OD1-CA 3.26Å; D728-Q730 WeakPolarHBondContact OD1-CA 3.3Å; D728-Q730 WeakPolarHBondContact OD1-CB 3.42Å; D728-Q730 PolarHBondContact OD1-N 2.83Å; D728-T731 PolarHBondContact OD1-N 2.84Å; D728-T731 WeakPolarHBondContact OD2-CB 3.29Å; D728-T731 PolarHBondContact OD2-OG1 2.97Å; D728-Q732 WeakPolarHBondContact O-CB 3.47Å; D728-Q732 PolarHBondContact O-N 2.59Å
729	E	79	Confident	87.3	Confident	101 Å²	101	40.8 Å²	40.8	47%	0.472	19%	0.194	S	C	.	.	H	α-helix	trans	-68.9	-37	-177.8	-159.2	168.7	-172.5	0	0	113.3	F88 F710 Q732 M733	F88-E729 HydrophobicContact CD2-CG 3.89Å; F88-E729 WeakPolarHBondContact CD2-OE1 3.17Å; F88-E729 HydrophobicContact CE2-CG 3.76Å; F710-E729 HydrophobicContact CD1-CB 4.17Å; F710-E729 HydrophobicContact CE1-CB 3.73Å; F710-E729 HydrophobicContact CE1-CG 4.45Å; E729-Q732 WeakPolarHBondContact O-CB 3.47Å; E729-Q732 PolarHBondContact O-N 2.73Å; E729-M733 HydrophobicContact CG-CE 4.35Å; E729-M733 WeakPolarHBondContact O-CE 3.35Å; E729-M733 VanDerWaalsContact O-CG 3.32Å; E729-M733 WeakPolarHBondContact O-CG 3.49Å; E729-M733 PolarHBondContact O-N 2.7Å
730	Q	82.3	Confident	88.1	Confident	98 Å²	98	34 Å²	34	46%	0.458	17%	0.169	S	C	.	.	H	α-helix	trans	-69.7	-40.6	177.9	-165.6	-173.8	11.2	0	0	111.1	D728 M733 K734	D728-Q730 VanDerWaalsContact OD1-CA 3.26Å; D728-Q730 WeakPolarHBondContact OD1-CA 3.3Å; D728-Q730 WeakPolarHBondContact OD1-CB 3.42Å; D728-Q730 PolarHBondContact OD1-N 2.83Å; Q730-M733 HydrophobicContact CB-CE 4.43Å; Q730-M733 PolarHBondContact O-N 3.23Å; Q730-K734 WeakPolarHBondContact O-CG 3.25Å; Q730-K734 PolarHBondContact O-N 2.78Å
731	T	88.5	Confident	88.1	Confident	25 Å²	25	33 Å²	33	15%	0.153	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-43.9	171.4	-62.7	0	0	0	0	110.8	A726 D728 M733 K734 W735	A726-T731 HydrophobicContact CB-CG2 3.91Å; D728-T731 PolarHBondContact OD1-N 2.84Å; D728-T731 WeakPolarHBondContact OD2-CB 3.29Å; D728-T731 PolarHBondContact OD2-OG1 2.97Å; T731-M733 VanDerWaalsContact C-N 3.33Å; T731-M733 PolarHBondContact O-N 2.72Å; T731-K734 PolarHBondContact O-N 3.41Å; T731-W735 VanDerWaalsContact O-CD1 3.25Å; T731-W735 PolarHBondContact O-N 3.29Å
732	Q	86.4	Confident	88	Confident	11 Å²	11	29.8 Å²	29.8	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-55.9	-44.8	173.5	-168.2	-166.2	8.1	0	0	112.3	F88 T711 F712 A726 D728 E729 L736	F88-Q732 HydrophobicContact CZ-CG 4.25Å; T711-Q732 PolarHBondContact O-NE2 3.38Å; F712-Q732 HydrophobicContact CD1-CG 4.1Å; A726-Q732 HydrophobicContact CB-CB 4Å; D728-Q732 WeakPolarHBondContact O-CB 3.47Å; D728-Q732 PolarHBondContact O-N 2.59Å; E729-Q732 WeakPolarHBondContact O-CB 3.47Å; E729-Q732 PolarHBondContact O-N 2.73Å; Q732-L736 HydrophobicContact CG-CD1 4.01Å; Q732-L736 WeakPolarHBondContact O-CB 3.48Å; Q732-L736 WeakPolarHBondContact O-CG 3.29Å; Q732-L736 PolarHBondContact O-N 2.86Å
733	M	82.6	Confident	87.5	Confident	13 Å²	13	30.1 Å²	30.1	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-44	178.1	-74.8	-177.2	-66.4	0	0	112.6	F88 L91 L92 E729 Q730 T731 L736 A737	F88-M733 HydrophobicContact CD1-CG 4.33Å; F88-M733 HydrophobicContact CD2-CG 3.86Å; F88-M733 HydrophobicContact CD2-SD 3.95Å; F88-M733 HydrophobicContact CE1-CG 3.83Å; F88-M733 HydrophobicContact CE2-CG 3.33Å; F88-M733 HydrophobicContact CE2-SD 4.04Å; F88-M733 HydrophobicContact CG-CG 4.33Å; F88-M733 HydrophobicContact CG-SD 4.31Å; F88-M733 HydrophobicContact CZ-CB 4.4Å; F88-M733 HydrophobicContact CZ-CG 3.31Å; F88-M733 HydrophobicContact CZ-SD 4.43Å; L91-M733 HydrophobicContact CB-CE 4.16Å; L91-M733 HydrophobicContact CB-SD 3.32Å; L91-M733 WeakPolarHBondContact CB-SD 3.5Å; L91-M733 HydrophobicContact CD1-CE 3.96Å; L91-M733 HydrophobicContact CD1-SD 3.91Å; L91-M733 HydrophobicContact CG-SD 4.26Å; L92-M733 WeakPolarHBondContact CD1-O 3.1Å; E729-M733 HydrophobicContact CG-CE 4.35Å; E729-M733 WeakPolarHBondContact O-CE 3.35Å; E729-M733 VanDerWaalsContact O-CG 3.32Å; E729-M733 WeakPolarHBondContact O-CG 3.49Å; E729-M733 PolarHBondContact O-N 2.7Å; Q730-M733 HydrophobicContact CB-CE 4.43Å; Q730-M733 PolarHBondContact O-N 3.23Å; T731-M733 VanDerWaalsContact C-N 3.33Å; T731-M733 PolarHBondContact O-N 2.72Å; M733-L736 PolarHBondContact O-N 2.94Å; M733-A737 WeakPolarHBondContact O-CB 3.42Å; M733-A737 PolarHBondContact O-N 3.27Å
734	K	89.9	Confident	86.9	Confident	53 Å²	53	28.6 Å²	28.6	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-44.1	177.5	-74	169.2	-177.1	169.2	0	111.9	E95 Q730 T731 A737 I738	E95-K734 WeakPolarHBondContact OE2-CE 3.49Å; E95-K734 WeakPolarHBondContact OE2-CG 3.48Å; Q730-K734 WeakPolarHBondContact O-CG 3.25Å; Q730-K734 PolarHBondContact O-N 2.78Å; T731-K734 PolarHBondContact O-N 3.41Å; K734-A737 PolarHBondContact O-N 3.03Å; K734-I738 WeakPolarHBondContact O-CG2 3.48Å; K734-I738 PolarHBondContact O-N 2.95Å
735	W	93.9	Very high	86	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-47.9	174	-83.7	104	0	0	0	112.5	H655 S657 I659 M673 V675 M681 F712 T731 A737 I738 L739	H655-W735 AromaticContact CD2-CD1 3.93Å; H655-W735 AromaticContact CD2-CD2 3.73Å; H655-W735 AromaticContact CD2-CE2 3.63Å; H655-W735 AromaticContact CD2-CG 3.93Å; H655-W735 AromaticContact CD2-NE1 3.74Å; H655-W735 AromaticContact NE2-CD1 3.49Å; H655-W735 AromaticContact NE2-CE2 3.8Å; H655-W735 AromaticContact NE2-CG 3.92Å; H655-W735 AromaticContact NE2-NE1 3.4Å; H655-W735 PolarHBondContact NE2-NE1 3.27Å; S657-W735 PolarHBondContact OG-NE1 3.42Å; I659-W735 HydrophobicContact CD1-CG 4.45Å; I659-W735 HydrophobicContact CG1-CD2 4.48Å; I659-W735 HydrophobicContact CG1-CZ2 3.91Å; M673-W735 HydrophobicContact CB-CH2 3.49Å; M673-W735 VanDerWaalsContact CB-CH2 3.49Å; M673-W735 HydrophobicContact CB-CZ2 3.8Å; M673-W735 HydrophobicContact CB-CZ3 4.49Å; V675-W735 HydrophobicContact CG2-CE3 4.26Å; V675-W735 HydrophobicContact CG2-CH2 4.03Å; V675-W735 HydrophobicContact CG2-CZ3 3.43Å; V675-W735 VanDerWaalsContact CG2-CZ3 3.43Å; M681-W735 HydrophobicContact CG-CZ3 4.45Å; M681-W735 HydrophobicContact SD-CH2 4.22Å; M681-W735 HydrophobicContact SD-CZ3 3.62Å; F712-W735 HydrophobicContact CE1-CB 3.92Å; F712-W735 HydrophobicContact CE1-CG 4.31Å; F712-W735 HydrophobicContact CE2-CB 4.12Å; F712-W735 HydrophobicContact CZ-CB 3.56Å; F712-W735 HydrophobicContact CZ-CD2 4.24Å; F712-W735 AromaticContact CZ-CG 3.79Å; F712-W735 HydrophobicContact CZ-CG 3.79Å; T731-W735 VanDerWaalsContact O-CD1 3.25Å; T731-W735 PolarHBondContact O-N 3.29Å; W735-A737 VanDerWaalsContact C-N 3.31Å; W735-A737 PolarHBondContact O-N 3.14Å; W735-I738 HydrophobicContact CE3-CG2 4.45Å; W735-I738 PolarHBondContact O-N 3.13Å; W735-L739 HydrophobicContact CB-CD1 4.4Å; W735-L739 HydrophobicContact CE3-CD1 3.8Å; W735-L739 HydrophobicContact CE3-CD2 4.15Å; W735-L739 HydrophobicContact CE3-CG 3.91Å; W735-L739 HydrophobicContact CZ3-CD2 4.23Å; W735-L739 HydrophobicContact CZ3-CG 4.49Å; W735-L739 WeakPolarHBondContact O-CB 3.48Å; W735-L739 WeakPolarHBondContact O-CD1 3.36Å; W735-L739 WeakPolarHBondContact O-CG 3.42Å; W735-L739 PolarHBondContact O-N 3.14Å
736	L	86.1	Confident	84.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-36.2	177.1	-76	164.2	0	0	0	112.7	F88 L92 L116 V703 M705 F712 Q732 M733 D740	F88-L736 HydrophobicContact CE1-CD1 3.73Å; F88-L736 HydrophobicContact CZ-CD1 3.66Å; L92-L736 HydrophobicContact CD1-CB 3.63Å; L116-L736 HydrophobicContact CD1-CB 4.29Å; L116-L736 HydrophobicContact CD1-CD2 4.06Å; V703-L736 HydrophobicContact CG1-CD2 3.83Å; M705-L736 HydrophobicContact CE-CD1 4.35Å; M705-L736 HydrophobicContact CG-CD1 3.64Å; M705-L736 HydrophobicContact CG-CD2 4.1Å; M705-L736 HydrophobicContact SD-CD1 4.24Å; F712-L736 HydrophobicContact CB-CD2 3.69Å; F712-L736 HydrophobicContact CB-CG 4.16Å; F712-L736 HydrophobicContact CG-CD2 4.3Å; F712-L736 HydrophobicContact CG-CG 4.45Å; Q732-L736 HydrophobicContact CG-CD1 4.01Å; Q732-L736 WeakPolarHBondContact O-CB 3.48Å; Q732-L736 WeakPolarHBondContact O-CG 3.29Å; Q732-L736 PolarHBondContact O-N 2.86Å; M733-L736 PolarHBondContact O-N 2.94Å; L736-D740 VanDerWaalsContact O-CB 3.28Å; L736-D740 WeakPolarHBondContact O-CB 3.27Å; L736-D740 PolarHBondContact O-N 3.22Å
737	A	84.9	Confident	82.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-55.7	175.9	0	0	0	0	0	111.4	L92 E95 K96 F99 M733 K734 W735 L741	L92-A737 HydrophobicContact CD1-CB 4.03Å; E95-A737 HydrophobicContact CB-CB 3.96Å; K96-A737 HydrophobicContact CG-CB 3.69Å; F99-A737 HydrophobicContact CD2-CB 3.97Å; F99-A737 HydrophobicContact CE2-CB 4.06Å; M733-A737 WeakPolarHBondContact O-CB 3.42Å; M733-A737 PolarHBondContact O-N 3.27Å; K734-A737 PolarHBondContact O-N 3.03Å; W735-A737 VanDerWaalsContact C-N 3.31Å; W735-A737 PolarHBondContact O-N 3.14Å; A737-L741 WeakPolarHBondContact O-CB 3.43Å; A737-L741 VanDerWaalsContact O-CG 3.3Å; A737-L741 WeakPolarHBondContact O-CG 3.42Å; A737-L741 PolarHBondContact O-N 3.28Å; A737-L741 VanDerWaalsContact O-N 3.1Å
738	I	91.9	Very high	80.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-36.7	-174.8	-166	55.9	0	0	0	112.8	F99 F107 L654 H655 V675 K734 W735 L741 A742	F99-I738 HydrophobicContact CD1-CD1 3.86Å; F99-I738 HydrophobicContact CD2-CB 4.41Å; F99-I738 HydrophobicContact CE1-CB 4.43Å; F99-I738 HydrophobicContact CE1-CD1 4.01Å; F99-I738 HydrophobicContact CE1-CG1 4.38Å; F99-I738 HydrophobicContact CE2-CB 3.99Å; F99-I738 HydrophobicContact CG-CD1 4.14Å; F99-I738 HydrophobicContact CZ-CB 4Å; F99-I738 HydrophobicContact CZ-CD1 4.42Å; F99-I738 HydrophobicContact CZ-CG1 4.42Å; F107-I738 HydrophobicContact CZ-CD1 3.9Å; L654-I738 HydrophobicContact CB-CD1 3.95Å; L654-I738 HydrophobicContact CB-CG1 4.17Å; L654-I738 HydrophobicContact CD1-CD1 3.94Å; H655-I738 HydrophobicContact CB-CB 4.42Å; H655-I738 HydrophobicContact CB-CG1 4.34Å; H655-I738 HydrophobicContact CB-CG2 3.97Å; V675-I738 HydrophobicContact CB-CG1 4.32Å; V675-I738 HydrophobicContact CG1-CG1 4.1Å; V675-I738 HydrophobicContact CG2-CG2 4.27Å; K734-I738 WeakPolarHBondContact O-CG2 3.48Å; K734-I738 PolarHBondContact O-N 2.95Å; W735-I738 HydrophobicContact CE3-CG2 4.45Å; W735-I738 PolarHBondContact O-N 3.13Å; I738-L741 PolarHBondContact O-N 2.87Å; I738-A742 VanDerWaalsContact O-CB 3.29Å; I738-A742 WeakPolarHBondContact O-CB 3.27Å; I738-A742 PolarHBondContact O-N 3.49Å
739	L	90.1	Very high	78.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-40.5	179.8	-68.6	172	0	0	0	111.8	V675 M681 L698 V703 F712 V714 W735 A743	V675-L739 HydrophobicContact CG2-CD2 4.1Å; M681-L739 HydrophobicContact SD-CD2 3.97Å; L698-L739 HydrophobicContact CD1-CD2 3.66Å; L698-L739 HydrophobicContact CD2-CD2 3.69Å; L698-L739 HydrophobicContact CG-CD2 4.33Å; V703-L739 HydrophobicContact CG1-CB 4.17Å; V703-L739 HydrophobicContact CG2-CB 3.86Å; F712-L739 HydrophobicContact CD2-CD1 3.98Å; F712-L739 HydrophobicContact CE2-CD1 3.44Å; F712-L739 VanDerWaalsContact CE2-CD1 3.44Å; F712-L739 HydrophobicContact CZ-CD1 4.36Å; V714-L739 HydrophobicContact CG2-CD1 3.83Å; W735-L739 HydrophobicContact CB-CD1 4.4Å; W735-L739 HydrophobicContact CE3-CD1 3.8Å; W735-L739 HydrophobicContact CE3-CD2 4.15Å; W735-L739 HydrophobicContact CE3-CG 3.91Å; W735-L739 HydrophobicContact CZ3-CD2 4.23Å; W735-L739 HydrophobicContact CZ3-CG 4.49Å; W735-L739 WeakPolarHBondContact O-CB 3.48Å; W735-L739 WeakPolarHBondContact O-CD1 3.36Å; W735-L739 WeakPolarHBondContact O-CG 3.42Å; W735-L739 PolarHBondContact O-N 3.14Å; L739-A743 WeakPolarHBondContact O-CB 3.22Å; L739-A743 PolarHBondContact O-N 3.22Å
740	D	84.6	Confident	76.3	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-38.2	175.9	174.2	100.7	0	0	0	111.6	K96 S114 L116 L736 N744	K96-D740 WeakPolarHBondContact CE-OD2 3.49Å; K96-D740 IonicContact NZ-OD1 3.87Å; K96-D740 IonicContact NZ-OD2 2.88Å; K96-D740 PolarHBondContact NZ-OD2 2.99Å; S114-D740 WeakPolarHBondContact CB-OD2 3.24Å; L116-D740 HydrophobicContact CD1-CB 3.65Å; L116-D740 HydrophobicContact CG-CB 4.28Å; L736-D740 VanDerWaalsContact O-CB 3.28Å; L736-D740 WeakPolarHBondContact O-CB 3.27Å; L736-D740 PolarHBondContact O-N 3.22Å; D740-N744 WeakPolarHBondContact O-CB 3.45Å; D740-N744 PolarHBondContact O-N 3.07Å; D740-N744 VanDerWaalsContact O-N 3.07Å; D740-N744 PolarHBondContact O-ND2 3.05Å
741	L	84.3	Confident	73.8	Confident	10 Å²	10	49 Å²	49	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-50.9	172.8	-72.5	175.7	0	0	0	111.4	K96 F99 V100 F107 M110 A737 I738 A743 N744 A745	K96-L741 HydrophobicContact CB-CD1 4.37Å; K96-L741 HydrophobicContact CG-CD1 4.47Å; K96-L741 HydrophobicContact CG-CG 4.37Å; F99-L741 HydrophobicContact CB-CD1 3.52Å; F99-L741 HydrophobicContact CG-CD1 4.33Å; V100-L741 HydrophobicContact CG2-CD1 4.24Å; V100-L741 HydrophobicContact CG2-CD2 4.02Å; F107-L741 HydrophobicContact CD1-CB 4.01Å; F107-L741 HydrophobicContact CE1-CB 3.59Å; F107-L741 HydrophobicContact CE1-CD1 4.47Å; F107-L741 HydrophobicContact CE2-CD1 4.32Å; F107-L741 HydrophobicContact CZ-CB 4.04Å; F107-L741 HydrophobicContact CZ-CD1 4.28Å; M110-L741 HydrophobicContact CE-CD2 3.69Å; A737-L741 WeakPolarHBondContact O-CB 3.43Å; A737-L741 VanDerWaalsContact O-CG 3.3Å; A737-L741 WeakPolarHBondContact O-CG 3.42Å; A737-L741 PolarHBondContact O-N 3.28Å; A737-L741 VanDerWaalsContact O-N 3.1Å; I738-L741 PolarHBondContact O-N 2.87Å; L741-A743 PolarHBondContact O-N 3.01Å; L741-N744 PolarHBondContact O-N 2.91Å; L741-A745 WeakPolarHBondContact O-CB 3.35Å; L741-A745 PolarHBondContact O-N 3.2Å
742	A	85.3	Confident	70.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-34.1	179.1	0	0	0	0	0	113.4	F679 L698 P699 I738 A745	F679-A742 HydrophobicContact CB-CB 4.31Å; F679-A742 HydrophobicContact CD1-CB 3.91Å; L698-A742 HydrophobicContact CB-CB 4.05Å; L698-A742 HydrophobicContact CD1-CB 3.57Å; L698-A742 HydrophobicContact CG-CB 4.48Å; P699-A742 WeakPolarHBondContact CA-O 3.22Å; I738-A742 VanDerWaalsContact O-CB 3.29Å; I738-A742 WeakPolarHBondContact O-CB 3.27Å; I738-A742 PolarHBondContact O-N 3.49Å; A742-A745 PolarHBondContact O-N 3.1Å
743	A	82.8	Confident	68.1	Low	6 Å²	6	60.1 Å²	60.1	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-40.8	173.8	0	0	0	0	0	112.1	R111 L698 P699 G700 C701 V703 L739 L741	R111-A743 PolarHBondContact NH1-O 2.84Å; L698-A743 WeakPolarHBondContact O-CA 3.44Å; P699-A743 WeakPolarHBondContact CA-O 3.11Å; G700-A743 PolarHBondContact N-O 3.09Å; C701-A743 WeakPolarHBondContact O-CB 3.28Å; V703-A743 HydrophobicContact CG2-CB 4.14Å; L739-A743 WeakPolarHBondContact O-CB 3.22Å; L739-A743 PolarHBondContact O-N 3.22Å; L741-A743 PolarHBondContact O-N 3.01Å
744	N	79.6	Confident	65.7	Low	14 Å²	14	63.1 Å²	63.1	8%	0.075	33%	0.33	C	S	.	.	H	α-helix	trans	-82.7	-17.6	178	-72.4	-72.6	0	0	0	113.4	M110 R111 T112 D740 L741	M110-N744 HydrophobicContact CE-CB 3.5Å; M110-N744 HydrophobicContact SD-CB 4.44Å; R111-N744 WeakPolarHBondContact CB-O 3.34Å; R111-N744 WeakPolarHBondContact CG-O 3.49Å; R111-N744 PolarHBondContact N-O 3.48Å; T112-N744 PolarHBondContact OG1-OD1 2.94Å; D740-N744 WeakPolarHBondContact O-CB 3.45Å; D740-N744 PolarHBondContact O-N 3.07Å; D740-N744 VanDerWaalsContact O-N 3.07Å; D740-N744 PolarHBondContact O-ND2 3.05Å; L741-N744 PolarHBondContact O-N 2.91Å
745	A	73.6	Confident	62.8	Low	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-66.2	135.6	-174.7	0	0	0	0	0	114.7	M110 R111 F679 L741 A742 L747	M110-A745 HydrophobicContact SD-CB 4.44Å; R111-A745 PolarHBondContact NH1-O 3.3Å; R111-A745 PolarHBondContact NH2-O 3.02Å; R111-A745 VanDerWaalsContact NH2-O 3.07Å; F679-A745 HydrophobicContact CD1-CB 3.78Å; F679-A745 HydrophobicContact CD2-CB 4.14Å; F679-A745 HydrophobicContact CE1-CB 3.39Å; F679-A745 HydrophobicContact CE2-CB 3.78Å; F679-A745 HydrophobicContact CG-CB 4.13Å; F679-A745 HydrophobicContact CZ-CB 3.38Å; L741-A745 WeakPolarHBondContact O-CB 3.35Å; L741-A745 PolarHBondContact O-N 3.2Å; A742-A745 PolarHBondContact O-N 3.1Å; A745-L747 PolarHBondContact O-N 3.29Å
746	H	63.1	Low	59.6	Low	96 Å²	96	74.4 Å²	74.4	44%	0.444	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-68.4	119.8	175	-93.6	-85.8	0	0	0	112.3	K109 K748	K109-H746 WeakPolarHBondContact O-CB 3.34Å; K109-H746 PolarHBondContact O-N 2.96Å; H746-K748 PolarHBondContact O-N 3.33Å
747	L	57.4	Low	56.8	Low	82 Å²	82	83.8 Å²	83.8	43%	0.429	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.1	120	159.8	-73.6	169	0	0	0	109	P699 A745 N749	P699-L747 HydrophobicContact CB-CD1 4.1Å; P699-L747 HydrophobicContact CB-CG 3.94Å; P699-L747 HydrophobicContact CG-CD1 4.32Å; P699-L747 HydrophobicContact CG-CD2 3.99Å; P699-L747 HydrophobicContact CG-CG 3.92Å; A745-L747 PolarHBondContact O-N 3.29Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 3.08Å
748	K	46.9	Very low	54	Low	169 Å²	169	89 Å²	89	74%	0.735	48%	0.475	S	S	*	.			trans	-68.2	86.8	174.7	-73.1	174.1	-179.6	164.3	0	109.3	H746 Q750	H746-K748 PolarHBondContact O-N 3.33Å; K748-Q750 PolarHBondContact O-N 3Å
749	N	35.6	Very low	50.9	Low	125 Å²	125	102 Å²	102	67%	0.668	54%	0.535	S	S	*	.			trans	-52.4	111.4	178.9	-85.5	-19.4	0	0	0	111.2	L747 R751	L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 3.08Å; N749-R751 PolarHBondContact O-N 3.36Å
750	Q	33	Very low	48.9	Very low	200 Å²	200	107.2 Å²	107.2	94%	0.935	56%	0.562	S	S	*	*	S	Bend	trans	-67.7	1.8	171.1	-69.3	-167.8	-2.2	0	0	113.5	K748	K748-Q750 PolarHBondContact O-N 3Å
751	R	29.9	Very low	47.1	Very low	223 Å²	223	112.6 Å²	112.6	84%	0.842	59%	0.591	S	S	*	*	S	Bend	trans	-140.4	93	169.2	-66.4	-176.1	179.2	177.7	-1.8	109.7	N749	N749-R751 PolarHBondContact O-N 3.36Å
752	N	27.4	Very low	45	Very low	136 Å²	136	118.3 Å²	118.3	73%	0.727	62%	0.621	S	S	*	*			trans	174.5	101	136.6	-91.2	4.4	0	0	0	109.9
753	S	28	Very low	42.6	Very low	132 Å²	132	125.3 Å²	125.3	92%	0.923	66%	0.657	S	S	*	*			trans	-133.1	70.5	168.6	48.5	0	0	0	0	108.8
754	G	31.1	Very low	40.1	Very low	77 Å²	77	132.8 Å²	132.8	79%	0.794	70%	0.695	S	S	*	*	S	Bend	trans	-179.2	34.1	-170.2	0	0	0	0	0	117.4
755	S	29.8	Very low	37.5	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	74%	0.737	S	S	*	*			trans	-165	78.5	168.5	60	0	0	0	0	112.5
756	E	26.4	Very low	34.9	Very low	190 Å²	190	150.7 Å²	150.7	89%	0.888	79%	0.789	S	S	*	*			trans	-166.6	150	157.8	-117.1	165.6	-137.5	0	0	109.1
757	Q	26.6	Very low	32.8	Very low	197 Å²	197	154.9 Å²	154.9	92%	0.921	82%	0.816	S	S	*	*			trans	69	124	-152.8	-52.4	179.1	-5.7	0	0	111.9
758	S	25.8	Very low	30.7	Very low	111 Å²	111	161 Å²	161	78%	0.776	85%	0.848	S	S	*	*			cis	-155	158.9	4.1	52.4	0	0	0	0	112.4
759	E	28	Very low	29.2	Very low	273 Å²	273	160.3 Å²	160.3	100%	1.276	86%	0.858	S	S	*	*			trans	74.6	0	-175.4	-56.6	-170.3	162.8	0	0	115.1

Retrieved 759 of 759 residues in 455 ms (Link to these results)

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