A0A077Z762_TRITR Loading...

RhoGAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z762, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 712 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	35.5	Very low	44.6	Very low	232 Å²	232	99 Å²	99	100%	1.143	55%	0.551	S	S	*	*				0	72.5	0	-83	-84.4	-149.7	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 2.76Å
2	D	36	Very low	45.5	Very low	169 Å²	169	97.6 Å²	97.6	90%	0.904	55%	0.55	S	S	*	.			trans	-79.4	103.5	-179.3	-63.3	-48	0	0	0	108.6
3	S	30.7	Very low	46	Very low	94 Å²	94	94.2 Å²	94.2	66%	0.657	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-82.1	133.3	166.2	38.8	0	0	0	0	107.8	M1	M1-S3 PolarHBondContact O-N 2.76Å
4	P	34.1	Very low	46.4	Very low	75 Å²	75	93.2 Å²	93.2	49%	0.487	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-60.1	142.1	-179.4	22.5	-31.6	0	0	0	110.2	G6	P4-G6 PolarHBondContact O-N 2.91Å
5	P	37.6	Very low	46.8	Very low	73 Å²	73	90.2 Å²	90.2	47%	0.474	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	128.6	-179.7	22.7	-31.6	0	0	0	109.8	N331	P5-N331 PolarHBondContact O-ND2 3.38Å
6	G	46	Very low	47.1	Very low	27 Å²	27	90.8 Å²	90.8	28%	0.278	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	9.4	171.4	0	0	0	0	0	117.7	P4 S332	P4-G6 PolarHBondContact O-N 2.91Å; G6-S332 PolarHBondContact O-OG 2.92Å; G6-S332 VanDerWaalsContact O-OG 3.14Å
7	R	49	Very low	47.1	Very low	176 Å²	176	90.9 Å²	90.9	66%	0.664	50%	0.499	S	S	*	.	S	Bend	trans	-78.4	148	156.3	-89.9	-171.2	-172.9	-164.4	3.7	110	V9	R7-V9 PolarHBondContact O-N 3.08Å; R7-V9 VanDerWaalsContact O-N 3.12Å
8	P	51.2	Low	47.1	Very low	16 Å²	16	96.4 Å²	96.4	10%	0.104	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-51.4	121.6	166.8	-22.6	32.7	0	0	0	108.9	P10 Y269 Y278 E279 M329	P8-P10 WeakPolarHBondContact O-CD 3.45Å; P8-Y269 HydrophobicContact CB-CE1 4.36Å; P8-Y269 WeakPolarHBondContact CB-OH 3.45Å; P8-Y269 VanDerWaalsContact CG-OH 3.3Å; P8-Y269 WeakPolarHBondContact CG-OH 3.42Å; P8-Y278 HydrophobicContact CB-CD1 3.95Å; P8-Y278 HydrophobicContact CB-CG 4.3Å; P8-E279 VanDerWaalsContact CA-O 3.28Å; P8-E279 WeakPolarHBondContact CA-O 3.37Å; P8-M329 HydrophobicContact CG-CE 4.18Å
9	V	57.2	Low	47.2	Very low	86 Å²	86	98.3 Å²	98.3	52%	0.521	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.9	-175.3	-178.7	0	0	0	0	107.4	R7 L11 E279	R7-V9 PolarHBondContact O-N 3.08Å; R7-V9 VanDerWaalsContact O-N 3.12Å; V9-L11 PolarHBondContact O-N 2.86Å; V9-E279 PolarHBondContact N-O 2.88Å; V9-E279 PolarHBondContact O-N 2.77Å
10	P	57.6	Low	47.2	Very low	73 Å²	73	95.6 Å²	95.6	47%	0.474	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	120.1	173	26.5	-30.2	0	0	0	109	P8 C276 M277 Y278	P8-P10 WeakPolarHBondContact O-CD 3.45Å; P10-C276 HydrophobicContact CB-CB 4.28Å; P10-M277 WeakPolarHBondContact CA-O 3.38Å; P10-Y278 HydrophobicContact CB-CD1 4.38Å; P10-Y278 HydrophobicContact CB-CE1 4.16Å
11	L	55.2	Low	46.8	Very low	68 Å²	68	98.4 Å²	98.4	36%	0.356	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.3	169.9	-70.3	168.4	0	0	0	108.6	V9 Y268 M277 E279	V9-L11 PolarHBondContact O-N 2.86Å; L11-Y268 HydrophobicContact CD1-CD1 4.28Å; L11-Y268 HydrophobicContact CD1-CE1 3.98Å; L11-M277 PolarHBondContact N-O 3.35Å; L11-E279 HydrophobicContact CD1-CB 4.48Å
12	P	56.2	Low	47.2	Very low	82 Å²	82	96.3 Å²	96.3	53%	0.532	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66.2	149	174.5	25.2	-30.4	0	0	0	111	L17	P12-L17 HydrophobicContact CG-CD1 4.09Å
13	R	51.2	Low	47.6	Very low	53 Å²	53	91.4 Å²	91.4	20%	0.2	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-57.2	139.3	174.7	-73	-174	175.9	170.8	-2.4	110.9	S15 K16 L17 E231 E275	R13-S15 WeakPolarHBondContact CB-OG 3.44Å; R13-S15 PolarHBondContact O-N 3.05Å; R13-K16 HydrophobicContact CB-CB 4.46Å; R13-K16 HydrophobicContact CB-CG 4.35Å; R13-K16 PolarHBondContact O-N 2.82Å; R13-K16 VanDerWaalsContact O-N 3.07Å; R13-L17 PolarHBondContact O-N 2.91Å; R13-L17 VanDerWaalsContact O-N 3.09Å; R13-E231 IonicContact CZ-OE1 2.64Å; R13-E231 IonicContact NH2-OE1 3.47Å; R13-E231 PolarHBondContact NH2-OE1 2.89Å; R13-E275 PolarHBondContact NE-O 3.26Å
14	L	52	Low	48.3	Very low	81 Å²	81	92.7 Å²	92.7	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-31	174.5	-77.5	169.2	0	0	0	111.2	L17 R18 E234	L14-L17 PolarHBondContact O-N 3.01Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 2.85Å; L14-E234 HydrophobicContact CD1-CB 4.38Å; L14-E234 PolarHBondContact N-OE2 3.19Å
15	S	52.1	Low	48.6	Very low	48 Å²	48	96.5 Å²	96.5	34%	0.336	48%	0.484	S	S	.	.	H	α-helix	trans	-59.5	-48.5	171.1	40.2	0	0	0	0	112.6	R13 L17 R18 E19 E234	R13-S15 WeakPolarHBondContact CB-OG 3.44Å; R13-S15 PolarHBondContact O-N 3.05Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 3.32Å; S15-R18 PolarHBondContact O-N 3.29Å; S15-R18 VanDerWaalsContact O-N 3.14Å; S15-E19 PolarHBondContact O-N 3.13Å; S15-E234 PolarHBondContact OG-OE1 3.47Å
16	K	51.7	Low	48.7	Very low	100 Å²	100	98.1 Å²	98.1	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-36.3	176.1	-70.5	-173.9	-179	174.6	0	111.8	R13 E19 A20 E275	R13-K16 HydrophobicContact CB-CB 4.46Å; R13-K16 HydrophobicContact CB-CG 4.35Å; R13-K16 PolarHBondContact O-N 2.82Å; R13-K16 VanDerWaalsContact O-N 3.07Å; K16-E19 PolarHBondContact O-N 2.9Å; K16-A20 WeakPolarHBondContact O-CB 3.14Å; K16-A20 PolarHBondContact O-N 2.9Å; K16-E275 IonicContact NZ-OE2 3.38Å; K16-E275 PolarHBondContact NZ-OE2 3.45Å
17	L	47.4	Very low	48.1	Very low	93 Å²	93	100.9 Å²	100.9	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-38.7	173.1	-90.5	157.5	0	0	0	112.5	P12 R13 L14 S15 A20 K21	P12-L17 HydrophobicContact CG-CD1 4.09Å; R13-L17 PolarHBondContact O-N 2.91Å; R13-L17 VanDerWaalsContact O-N 3.09Å; L14-L17 PolarHBondContact O-N 3.01Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 3.32Å; L17-A20 PolarHBondContact O-N 3.41Å; L17-K21 WeakPolarHBondContact O-CB 3.38Å; L17-K21 PolarHBondContact O-N 2.81Å
18	R	46.4	Very low	47.3	Very low	190 Å²	190	97.2 Å²	97.2	72%	0.717	51%	0.51	S	S	*	.	H	α-helix	trans	-67.2	-39.7	174.6	-77.8	179	174.1	-179.3	-0	111.9	L14 S15 K21 R22	L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 2.85Å; S15-R18 PolarHBondContact O-N 3.29Å; S15-R18 VanDerWaalsContact O-N 3.14Å; R18-K21 PolarHBondContact O-N 3.3Å; R18-R22 WeakPolarHBondContact O-CB 3.41Å; R18-R22 WeakPolarHBondContact O-CG 3.36Å; R18-R22 PolarHBondContact O-N 3.43Å
19	E	49.5	Very low	46.2	Very low	132 Å²	132	105.1 Å²	105.1	62%	0.617	55%	0.545	S	S	*	.	H	α-helix	trans	-64.5	-44.4	173.7	-75.5	175.6	177.6	0	0	111.4	S15 K16 K21 R22 S23	S15-E19 PolarHBondContact O-N 3.13Å; K16-E19 PolarHBondContact O-N 2.9Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.4Å; E19-R22 PolarHBondContact O-N 2.87Å; E19-S23 WeakPolarHBondContact O-CB 3.31Å; E19-S23 PolarHBondContact O-N 2.81Å; E19-S23 PolarHBondContact O-OG 2.81Å
20	A	47.1	Very low	44.9	Very low	44 Å²	44	106 Å²	106	36%	0.364	56%	0.555	S	S	.	*	H	α-helix	trans	-59.9	-42.2	173.9	0	0	0	0	0	111.7	K16 L17 S23 I24	K16-A20 WeakPolarHBondContact O-CB 3.14Å; K16-A20 PolarHBondContact O-N 2.9Å; L17-A20 PolarHBondContact O-N 3.41Å; A20-S23 VanDerWaalsContact CA-OG 3.31Å; A20-S23 WeakPolarHBondContact CA-OG 3.45Å; A20-S23 PolarHBondContact O-N 2.98Å; A20-S23 PolarHBondContact O-OG 2.71Å; A20-I24 WeakPolarHBondContact O-CD1 3.46Å; A20-I24 VanDerWaalsContact O-CG1 3.24Å; A20-I24 WeakPolarHBondContact O-CG1 3.26Å; A20-I24 PolarHBondContact O-N 2.99Å
21	K	39	Very low	43.5	Very low	154 Å²	154	110.2 Å²	110.2	67%	0.67	57%	0.574	S	S	*	*	H	α-helix	trans	-67.5	-38.1	178	-139.5	178.5	-172.7	-177.6	0	112.4	L17 R18 E19 Q25	L17-K21 WeakPolarHBondContact O-CB 3.38Å; L17-K21 PolarHBondContact O-N 2.81Å; R18-K21 PolarHBondContact O-N 3.3Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.4Å; K21-Q25 PolarHBondContact O-N 3.32Å
22	R	43.8	Very low	42.2	Very low	188 Å²	188	112.9 Å²	112.9	71%	0.709	59%	0.592	S	S	*	*	H	α-helix	trans	-68	-41.8	173.8	-80.6	-176.4	175.5	-178.8	-1.9	111.9	R18 E19 I24 Q25 T26	R18-R22 WeakPolarHBondContact O-CB 3.41Å; R18-R22 WeakPolarHBondContact O-CG 3.36Å; R18-R22 PolarHBondContact O-N 3.43Å; E19-R22 PolarHBondContact O-N 2.87Å; R22-I24 VanDerWaalsContact C-N 3.3Å; R22-I24 PolarHBondContact O-N 3.18Å; R22-Q25 CarbonylContact O-C 3.59Å; R22-Q25 PolarHBondContact O-N 3.36Å; R22-T26 PolarHBondContact O-N 3.04Å; R22-T26 PolarHBondContact O-OG1 2.88Å
23	S	45.5	Very low	40.7	Very low	66 Å²	66	115.8 Å²	115.8	46%	0.462	60%	0.603	S	S	.	*	H	α-helix	trans	-68.5	-29.2	179.5	36.5	0	0	0	0	112.6	E19 A20 T26 S27	E19-S23 WeakPolarHBondContact O-CB 3.31Å; E19-S23 PolarHBondContact O-N 2.81Å; E19-S23 PolarHBondContact O-OG 2.81Å; A20-S23 VanDerWaalsContact CA-OG 3.31Å; A20-S23 WeakPolarHBondContact CA-OG 3.45Å; A20-S23 PolarHBondContact O-N 2.98Å; A20-S23 PolarHBondContact O-OG 2.71Å; S23-T26 PolarHBondContact O-OG1 3.1Å; S23-S27 WeakPolarHBondContact O-CB 3.31Å; S23-S27 PolarHBondContact O-N 3.11Å; S23-S27 PolarHBondContact O-OG 3.12Å; S23-S27 VanDerWaalsContact O-OG 3.14Å
24	I	44.8	Very low	39.8	Very low	122 Å²	122	123.4 Å²	123.4	63%	0.626	64%	0.638	S	S	*	*	H	α-helix	trans	-71.6	-31.3	169.5	-64.6	163.5	0	0	0	111.9	A20 R22 S27	A20-I24 WeakPolarHBondContact O-CD1 3.46Å; A20-I24 VanDerWaalsContact O-CG1 3.24Å; A20-I24 WeakPolarHBondContact O-CG1 3.26Å; A20-I24 PolarHBondContact O-N 2.99Å; R22-I24 VanDerWaalsContact C-N 3.3Å; R22-I24 PolarHBondContact O-N 3.18Å; I24-S27 PolarHBondContact O-OG 3.27Å
25	Q	39.6	Very low	38.5	Very low	154 Å²	154	124.6 Å²	124.6	72%	0.72	65%	0.653	S	S	*	*	H	α-helix	trans	-79.2	-25	175.8	-82.9	-175.7	-37.9	0	0	113.5	K21 R22	K21-Q25 PolarHBondContact O-N 3.32Å; R22-Q25 CarbonylContact O-C 3.59Å; R22-Q25 PolarHBondContact O-N 3.36Å
26	T	39.3	Very low	37.1	Very low	107 Å²	107	128.8 Å²	128.8	66%	0.656	68%	0.676	S	S	*	*	H	α-helix	trans	-90.4	-8	175.1	57.4	0	0	0	0	113.7	R22 S23	R22-T26 PolarHBondContact O-N 3.04Å; R22-T26 PolarHBondContact O-OG1 2.88Å; S23-T26 PolarHBondContact O-OG1 3.1Å
27	S	34.2	Very low	35.9	Very low	86 Å²	86	129.8 Å²	129.8	60%	0.601	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	4.9	179.5	59.7	0	0	0	0	114.6	S23 I24	S23-S27 WeakPolarHBondContact O-CB 3.31Å; S23-S27 PolarHBondContact O-N 3.11Å; S23-S27 PolarHBondContact O-OG 3.12Å; S23-S27 VanDerWaalsContact O-OG 3.14Å; I24-S27 PolarHBondContact O-OG 3.27Å
28	S	31.4	Very low	34.8	Very low	99 Å²	99	131.5 Å²	131.5	69%	0.692	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	5.8	175	60.9	0	0	0	0	114.8
29	E	29.1	Very low	33.8	Very low	181 Å²	181	126.9 Å²	126.9	85%	0.846	71%	0.713	S	S	*	*	S	Bend	trans	-132.6	57	179.4	-75	-173.8	156.7	0	0	112.3
30	S	30	Very low	32.8	Very low	106 Å²	106	126.3 Å²	126.3	74%	0.741	72%	0.72	S	S	*	*			trans	-173.6	62.9	155.1	61.4	0	0	0	0	111.3
31	D	27.2	Very low	31.9	Very low	161 Å²	161	130.9 Å²	130.9	86%	0.861	74%	0.744	S	S	*	*			trans	-88.7	127.7	155.3	-84.7	-37	0	0	0	107.5
32	V	28.2	Very low	31.3	Very low	123 Å²	123	128.7 Å²	128.7	75%	0.745	75%	0.754	S	S	*	*			trans	146.3	117.1	152.2	169	0	0	0	0	109.9
33	N	26.1	Very low	30.7	Very low	143 Å²	143	124.1 Å²	124.1	77%	0.765	76%	0.757	S	S	*	*			trans	77.6	96.3	165.3	-61.2	-21.5	0	0	0	118.4
34	K	30.9	Very low	29.7	Very low	213 Å²	213	130.2 Å²	130.2	93%	0.926	78%	0.778	S	S	*	*				-168.5	144.7	108.7	-100	164.4	-173.5	-179.6	0	112.9
35	S	25.9	Very low	29	Very low	107 Å²	107	132 Å²	132	75%	0.748	79%	0.787	S	S	*	*			trans	-68.7	142.7	-168.7	46.8	0	0	0	0	115.6
36	V	22.5	Very low	28.3	Very low	135 Å²	135	132.6 Å²	132.6	82%	0.818	80%	0.796	S	S	*	*			trans	-16.8	123.8	148.7	-176.5	0	0	0	0	115.3	V38	V36-V38 HydrophobicContact CG1-CG2 4.41Å
37	S	26	Very low	27.9	Very low	121 Å²	121	131 Å²	131	85%	0.846	80%	0.8	S	S	*	*			trans	-142.1	126.1	145.1	65	0	0	0	0	109.7
38	V	23.4	Very low	27.5	Very low	129 Å²	129	134.5 Å²	134.5	78%	0.782	81%	0.812	S	S	*	*			trans	-106.7	126	177.9	170.7	0	0	0	0	106.8	V36	V36-V38 HydrophobicContact CG1-CG2 4.41Å
39	A	27	Very low	27.3	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	82%	0.819	S	S	*	*			trans	-158.3	123.4	157.1	0	0	0	0	0	109.9
40	P	27.8	Very low	27.2	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	82%	0.818	S	S	*	*			trans	-95.7	136.3	171.6	34.1	-26.5	0	0	0	110.6
41	T	29.1	Very low	27	Very low	140 Å²	140	137.9 Å²	137.9	86%	0.859	82%	0.817	S	S	*	*			trans	-131.1	110.3	164.7	39.9	0	0	0	0	109.5
42	A	26.2	Very low	27.1	Very low	108 Å²	108	135.8 Å²	135.8	89%	0.893	81%	0.81	S	S	*	*			trans	-74.6	129.6	163.8	0	0	0	0	0	108.5
43	A	30.3	Very low	27	Very low	92 Å²	92	137 Å²	137	76%	0.76	81%	0.812	S	S	*	*			trans	-135	101.5	165.9	0	0	0	0	0	107.7
44	E	25.1	Very low	27	Very low	195 Å²	195	137.4 Å²	137.4	91%	0.911	82%	0.82	S	S	*	*			trans	-69.7	126.7	165.5	-68.9	173.7	149.1	0	0	108.7
45	I	29.9	Very low	26.8	Very low	158 Å²	158	131 Å²	131	81%	0.81	81%	0.806	S	S	*	*			trans	-131.1	102.2	163.2	-59.4	-179.4	0	0	0	107.2
46	N	25.2	Very low	26.8	Very low	168 Å²	168	135 Å²	135	90%	0.898	81%	0.81	S	S	*	*			trans	-64.9	130.5	162.3	-96.9	-27.3	0	0	0	109.1
47	G	29.7	Very low	26.9	Very low	72 Å²	72	140.5 Å²	140.5	74%	0.742	82%	0.816	S	S	*	*			trans	-137.3	114.2	171.7	0	0	0	0	0	109.9
48	D	27.5	Very low	26.8	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	82%	0.82	S	S	*	*			trans	-62.6	145.2	-166.2	-74.8	-53.5	0	0	0	116.3
49	L	25.5	Very low	27.1	Very low	162 Å²	162	144.4 Å²	144.4	85%	0.848	82%	0.823	S	S	*	*			trans	-72.1	118.4	169	-84.8	110	0	0	0	111.3
50	H	27.6	Very low	27.1	Very low	179 Å²	179	143.2 Å²	143.2	83%	0.829	82%	0.82	S	S	*	*			trans	-88	107	163.2	-104.8	-72.3	0	0	0	110.3
51	V	25.6	Very low	27	Very low	116 Å²	116	144.1 Å²	144.1	70%	0.703	83%	0.826	S	S	*	*			trans	-100	108.4	167.1	177.2	0	0	0	0	107.7
52	T	28.8	Very low	26.9	Very low	117 Å²	117	142.5 Å²	142.5	72%	0.718	82%	0.82	S	S	*	*			trans	-103.8	112.8	170.3	37.6	0	0	0	0	110.3	V54	T52-V54 PolarHBondContact O-N 2.97Å
53	N	25.9	Very low	26.9	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	82%	0.82	S	S	*	*			trans	-58.9	122.2	173.1	-84.9	-41.1	0	0	0	111.6
54	V	27.5	Very low	26.7	Very low	151 Å²	151	149.5 Å²	149.5	92%	0.915	82%	0.822	S	S	*	*			trans	-108.4	99.1	161	-179.3	0	0	0	0	107.2	T52	T52-V54 PolarHBondContact O-N 2.97Å
55	A	25.9	Very low	26.8	Very low	78 Å²	78	146.2 Å²	146.2	65%	0.645	82%	0.818	S	S	*	*			trans	-115.6	131.4	177.9	0	0	0	0	0	110.8
56	K	26.3	Very low	26.6	Very low	191 Å²	191	147.4 Å²	147.4	83%	0.83	82%	0.82	S	S	*	*			trans	63.3	114	147.7	-65.5	178.5	177.5	179.8	0	118.7
57	R	25.5	Very low	26.5	Very low	250 Å²	250	143.4 Å²	143.4	94%	0.943	81%	0.81	S	S	*	*				-145.6	109.2	129.5	-101.9	177	-172.1	-176.7	1.3	109.6
58	F	23.9	Very low	26.3	Very low	212 Å²	212	148 Å²	148	93%	0.93	81%	0.813	S	S	*	*			trans	-100.6	128.4	164.7	-91.4	-88.5	0	0	0	107.7
59	S	29.8	Very low	26.3	Very low	120 Å²	120	149.7 Å²	149.7	84%	0.839	81%	0.812	S	S	*	*			trans	-168.9	130.2	164.7	53.5	0	0	0	0	104.2
60	G	25.4	Very low	26.2	Very low	69 Å²	69	149.8 Å²	149.8	71%	0.711	81%	0.813	S	S	*	*			cis	172.3	153.1	6.9	0	0	0	0	0	103.8
61	P	26.2	Very low	26	Very low	139 Å²	139	148.8 Å²	148.8	90%	0.903	81%	0.813	S	S	*	*			trans	-90.7	150.3	-163.3	35.5	-32.4	0	0	0	113
62	S	27.7	Very low	26.1	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	82%	0.821	S	S	*	*			trans	-132.6	113.6	167.6	66.4	0	0	0	0	111.7
63	E	25.3	Very low	25.8	Very low	189 Å²	189	150.1 Å²	150.1	88%	0.883	83%	0.826	S	S	*	*			trans	69.2	111.1	136.4	-65	176.7	173.3	0	0	120.3
64	I	25.4	Very low	25.7	Very low	158 Å²	158	150.9 Å²	150.9	81%	0.81	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-92.9	131.2	165.6	-64.2	162.6	0	0	0	107.3
65	P	29.2	Very low	25.6	Very low	126 Å²	126	150.4 Å²	150.4	82%	0.818	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-87.6	123.9	156.4	-3.5	22.5	0	0	0	109.5
66	E	24	Very low	25.6	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.9	149.2	174.6	-114.9	179.1	163.9	0	0	112.8
67	A	24	Very low	25.4	Very low	85 Å²	85	151 Å²	151	70%	0.702	82%	0.823	S	S	*	*			trans	86.1	144.2	132.8	0	0	0	0	0	122.3
68	E	26.2	Very low	25.2	Very low	169 Å²	169	147.5 Å²	147.5	79%	0.79	82%	0.818	S	S	*	*			trans	87.5	92.5	155.1	-54.9	-161.9	160.2	0	0	119.8
69	K	27.5	Very low	25.2	Very low	195 Å²	195	145.5 Å²	145.5	85%	0.848	81%	0.811	S	S	*	*				176.8	107	96.7	-95.4	166.7	-175.7	173.7	0	111.5
70	L	22	Very low	24.9	Very low	163 Å²	163	144.9 Å²	144.9	85%	0.853	81%	0.807	S	S	*	*			trans	-69.3	129.4	149.3	-97.9	97.6	0	0	0	108.4
71	N	24.6	Very low	24.7	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	81%	0.814	S	S	*	*			trans	166.7	115.1	134.4	-90.4	-18.4	0	0	0	110.4
72	A	27.5	Very low	24.6	Very low	104 Å²	104	150.3 Å²	150.3	86%	0.86	81%	0.812	S	S	*	*			trans	160.5	93.2	133.8	0	0	0	0	0	108.3
73	L	22.4	Very low	24.4	Very low	158 Å²	158	151 Å²	151	83%	0.827	82%	0.816	S	S	*	*			trans	-73.8	152.3	158.1	-105.8	124.8	0	0	0	109.1
74	Q	23	Very low	24.4	Very low	165 Å²	165	150 Å²	150	77%	0.771	82%	0.817	S	S	*	*			trans	89.4	135.3	155.5	-72	171.6	-30.4	0	0	119.9
75	N	25.2	Very low	24.3	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	82%	0.817	S	S	*	*			trans	85	124.9	169.2	-54.4	-6	0	0	0	114
76	D	26.6	Very low	24.1	Very low	148 Å²	148	147.7 Å²	147.7	79%	0.791	81%	0.813	S	S	*	*			cis	-147.7	144.2	13.4	-88.8	-43.8	0	0	0	110.5
77	T	20.9	Very low	24.1	Very low	134 Å²	134	147 Å²	147	82%	0.822	82%	0.815	S	S	*	*			trans	-79.1	118.9	162.3	-18.8	0	0	0	0	106.6
78	Q	22.2	Very low	24.2	Very low	176 Å²	176	148 Å²	148	82%	0.822	82%	0.817	S	S	*	*			trans	161.5	139.2	141.2	-91.1	175.8	8.8	0	0	113.1
79	Q	24.4	Very low	24.2	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	82%	0.82	S	S	*	*			trans	98.7	122	154.4	-71	174	14.3	0	0	121.3
80	S	23.7	Very low	23.9	Very low	108 Å²	108	142 Å²	142	76%	0.755	82%	0.818	S	S	*	*			trans	62.2	108.1	155.6	58.6	0	0	0	0	117.2
81	L	20.5	Very low	23.9	Very low	164 Å²	164	140.3 Å²	140.3	86%	0.859	81%	0.814	S	S	*	*				44	80	54.7	-85.7	161.9	0	0	0	113.2
82	N	23.8	Very low	23.8	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	81%	0.812	S	S	*	*			trans	151.1	97.4	136.2	-79.6	-20.4	0	0	0	110.7
83	S	23.9	Very low	23.6	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	81%	0.812	S	S	*	*			trans	-156.8	65.5	163.3	66.5	0	0	0	0	111
84	D	25.3	Very low	23.6	Very low	169 Å²	169	142 Å²	142	90%	0.904	81%	0.811	S	S	*	*			trans	-91.1	106.8	157.4	-83.6	-32.1	0	0	0	107.5	E86	D84-E86 PolarHBondContact O-N 2.72Å
85	G	23.5	Very low	23.7	Very low	78 Å²	78	139 Å²	139	80%	0.804	81%	0.807	S	S	*	*			trans	-68.1	112.7	-179.1	0	0	0	0	0	112.2
86	E	25.5	Very low	23.7	Very low	157 Å²	157	135.7 Å²	135.7	73%	0.734	81%	0.807	S	S	*	*			trans	-99.3	93.1	162.4	-73.5	-163.5	156.8	0	0	108.9	D84 S88 K140	D84-E86 PolarHBondContact O-N 2.72Å; E86-S88 PolarHBondContact O-N 2.81Å; E86-S88 VanDerWaalsContact O-N 3.14Å; E86-K140 IonicContact OE1-NZ 2.86Å; E86-K140 IonicContact OE2-NZ 3.49Å; E86-K140 PolarHBondContact OE2-NZ 3.29Å
87	D	24.4	Very low	23.5	Very low	167 Å²	167	135.6 Å²	135.6	89%	0.893	81%	0.807	S	S	*	*			trans	-72.3	100.8	166.3	-74.9	-34.2	0	0	0	109.4
88	S	25.1	Very low	23.9	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	80%	0.804	S	S	*	*			trans	-103.5	96.2	171.5	67.5	0	0	0	0	110.5	E86 G90	E86-S88 PolarHBondContact O-N 2.81Å; E86-S88 VanDerWaalsContact O-N 3.14Å; S88-G90 PolarHBondContact O-N 2.96Å; S88-G90 VanDerWaalsContact O-N 3.16Å
89	D	25.6	Very low	24.2	Very low	162 Å²	162	134.1 Å²	134.1	87%	0.866	81%	0.806	S	S	*	*			trans	-73.8	104.1	165.8	-77.9	-36.1	0	0	0	109.8	T91	D89-T91 PolarHBondContact O-N 3.06Å
90	G	22.8	Very low	24.1	Very low	77 Å²	77	133.1 Å²	133.1	79%	0.794	81%	0.811	S	S	*	*			trans	-73.8	114.8	171.3	0	0	0	0	0	111	S88	S88-G90 PolarHBondContact O-N 2.96Å; S88-G90 VanDerWaalsContact O-N 3.16Å
91	T	22	Very low	24.3	Very low	126 Å²	126	133.4 Å²	133.4	77%	0.773	81%	0.813	S	S	*	*			trans	-91.1	101.3	160.4	-7.4	0	0	0	0	107.8	D89	D89-T91 PolarHBondContact O-N 3.06Å
92	S	21.9	Very low	24.5	Very low	114 Å²	114	130.4 Å²	130.4	80%	0.797	81%	0.806	S	S	*	*			trans	-58	130.3	170.2	172.2	0	0	0	0	110.3
93	W	23.2	Very low	24.4	Very low	229 Å²	229	127.7 Å²	127.7	87%	0.867	80%	0.799	S	S	*	*			trans	-104.2	111.4	168.4	-76.4	45.7	0	0	0	106.4	S95	W93-S95 PolarHBondContact O-N 3.1Å
94	S	22.9	Very low	24.6	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	80%	0.802	S	S	*	*			trans	-65.3	113.9	177.2	55.1	0	0	0	0	110.3	G96	S94-G96 PolarHBondContact O-N 3.29Å
95	S	24.1	Very low	24.4	Very low	100 Å²	100	130.5 Å²	130.5	70%	0.699	80%	0.8	S	S	*	*			trans	-71	105.6	160.6	46.8	0	0	0	0	108.3	W93 D97	W93-S95 PolarHBondContact O-N 3.1Å; S95-D97 PolarHBondContact O-N 3.2Å
96	G	25.2	Very low	24.5	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	80%	0.797	S	S	*	*			trans	-84.1	101	165.5	0	0	0	0	0	108.6	S94	S94-G96 PolarHBondContact O-N 3.29Å
97	D	23	Very low	24.4	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71.8	126.7	164.8	-70	-46.2	0	0	0	108.6	S95	S95-D97 PolarHBondContact O-N 3.2Å
98	P	29.3	Very low	24.3	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-88.6	127.1	170.9	32	-27	0	0	0	109.9
99	D	27.7	Very low	24.4	Very low	159 Å²	159	138 Å²	138	85%	0.85	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-53.9	132.8	177.3	-82	-47.7	0	0	0	113.1	S101	D99-S101 PolarHBondContact O-N 3.12Å
100	V	23.6	Very low	24.2	Very low	149 Å²	149	136.9 Å²	136.9	90%	0.903	79%	0.793	S	S	*	*			trans	-64.6	110.4	166.8	175.8	0	0	0	0	108.1
101	S	27.5	Very low	24.3	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	79%	0.794	S	S	*	*			trans	-128.7	131.3	159.1	63.5	0	0	0	0	110.5	D99	D99-S101 PolarHBondContact O-N 3.12Å
102	S	23.3	Very low	24.3	Very low	102 Å²	102	140 Å²	140	71%	0.713	80%	0.795	S	S	*	*			trans	-80.2	159.1	-165.2	49.8	0	0	0	0	113.3
103	S	23.1	Very low	24.5	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	79%	0.791	S	S	*	*			trans	65.3	103.3	146	59.3	0	0	0	0	118.1
104	K	27.1	Very low	24.6	Very low	206 Å²	206	134.5 Å²	134.5	90%	0.896	79%	0.786	S	S	*	*			trans	-162.7	106.2	131.3	-106.5	166.3	-173.3	-178	0	109.9
105	V	22	Very low	24.9	Very low	141 Å²	141	136.4 Å²	136.4	86%	0.855	79%	0.787	S	S	*	*			trans	-74.2	114.5	164.9	173.2	0	0	0	0	106.5
106	H	25.4	Very low	25	Very low	159 Å²	159	136.4 Å²	136.4	74%	0.736	79%	0.787	S	S	*	*			trans	-158	118.6	156.3	-101.9	-68.9	0	0	0	110.7
107	E	24.1	Very low	25.2	Very low	139 Å²	139	139.4 Å²	139.4	65%	0.65	79%	0.79	S	S	*	*			trans	62.5	98.8	144.5	-69.8	175.4	-167.7	0	0	119	K109	E107-K109 PolarHBondContact O-N 3.28Å
108	E	21.1	Very low	25.3	Very low	203 Å²	203	136.5 Å²	136.5	95%	0.949	78%	0.781	S	S	*	*			trans	-48.3	97.1	150.6	-67.8	175.4	148.1	0	0	110.7
109	K	26.5	Very low	25.2	Very low	165 Å²	165	135.9 Å²	135.9	72%	0.717	78%	0.777	S	S	*	*			trans	-108.9	99.9	158.4	-85.6	178.4	178.7	165.2	0	108.5	E107 L111	E107-K109 PolarHBondContact O-N 3.28Å; K109-L111 PolarHBondContact O-N 2.77Å
110	T	22.1	Very low	25.6	Very low	139 Å²	139	133.3 Å²	133.3	85%	0.853	77%	0.767	S	S	*	*			trans	-42.1	97.2	158.9	25.5	0	0	0	0	110.6
111	L	25.4	Very low	26.3	Very low	154 Å²	154	132.2 Å²	132.2	81%	0.806	76%	0.756	S	S	*	*			trans	-107	89.5	160.8	-77.4	170.9	0	0	0	107.7	K109 S113	K109-L111 PolarHBondContact O-N 2.77Å; L111-S113 PolarHBondContact O-N 3.32Å
112	S	21.2	Very low	27	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	74%	0.738	S	S	*	*			trans	-58.6	86.8	155.2	48.7	0	0	0	0	109.2
113	S	26.4	Very low	27.6	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	73%	0.732	S	S	*	*			trans	-116	90.7	159.9	64.1	0	0	0	0	108.2	L111 L115	L111-S113 PolarHBondContact O-N 3.32Å; S113-L115 PolarHBondContact O-N 3.24Å
114	V	26	Very low	28.6	Very low	124 Å²	124	134.2 Å²	134.2	75%	0.752	74%	0.737	S	S	*	*			trans	-58.1	98.9	165.7	177.5	0	0	0	0	107.9
115	L	28.1	Very low	29.3	Very low	155 Å²	155	133.3 Å²	133.3	81%	0.812	74%	0.736	S	S	*	*			trans	-127.9	83.2	150.5	-73.7	176.2	0	0	0	106.1	S113 V117	S113-L115 PolarHBondContact O-N 3.24Å; L115-V117 VanDerWaalsContact C-N 3.26Å; L115-V117 PolarHBondContact O-N 3.42Å
116	S	26.9	Very low	30.5	Very low	100 Å²	100	128 Å²	128	70%	0.699	71%	0.707	S	S	*	*			trans	-56.3	94.8	161.9	56.3	0	0	0	0	107.6	S118	S116-S118 PolarHBondContact O-N 3.35Å
117	V	28.5	Very low	32.2	Very low	135 Å²	135	127 Å²	127	82%	0.818	71%	0.707	S	S	*	*			trans	-71.4	92.8	161.9	-177.8	0	0	0	0	104.7	L115	L115-V117 VanDerWaalsContact C-N 3.26Å; L115-V117 PolarHBondContact O-N 3.42Å
118	S	25.7	Very low	33.9	Very low	86 Å²	86	123.3 Å²	123.3	60%	0.601	69%	0.691	S	S	*	*			trans	-54.8	127.8	172.4	19.9	0	0	0	0	107.9	S116 T120	S116-S118 PolarHBondContact O-N 3.35Å; S118-T120 PolarHBondContact O-N 3.43Å; S118-T120 VanDerWaalsContact O-N 3.08Å
119	P	27.4	Very low	36.5	Very low	106 Å²	106	116.3 Å²	116.3	69%	0.688	66%	0.664	S	S	*	*			trans	-57.4	121.7	172.8	22.4	-29.8	0	0	0	107.6	L121	P119-L121 PolarHBondContact O-N 2.99Å
120	T	36.3	Very low	39.3	Very low	104 Å²	104	110.5 Å²	110.5	64%	0.638	64%	0.639	S	S	*	*			trans	-54.8	102.7	-178.8	-12.2	0	0	0	0	107.9	S118 I122 E165	S118-T120 PolarHBondContact O-N 3.43Å; S118-T120 VanDerWaalsContact O-N 3.08Å; T120-I122 PolarHBondContact O-N 3.25Å; T120-I122 VanDerWaalsContact O-N 3.15Å; T120-E165 PolarHBondContact OG1-OE1 3.27Å
121	L	37.4	Very low	42.5	Very low	127 Å²	127	107.6 Å²	107.6	67%	0.665	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-54.5	123.9	175.7	-88.9	103.6	0	0	0	108	P119 P123 F124	P119-L121 PolarHBondContact O-N 2.99Å; L121-P123 WeakPolarHBondContact O-CD 3.31Å; L121-P123 VanDerWaalsContact O-N 3.15Å; L121-F124 HydrophobicContact CD2-CD2 4.26Å; L121-F124 HydrophobicContact CD2-CE2 3.46Å; L121-F124 VanDerWaalsContact CD2-CE2 3.46Å; L121-F124 HydrophobicContact CD2-CZ 4.11Å
122	I	42.2	Very low	45.4	Very low	83 Å²	83	100.9 Å²	100.9	43%	0.426	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-53.7	124.1	168.2	-58.2	170.7	0	0	0	106.2	T120 F124 I128 I150	T120-I122 PolarHBondContact O-N 3.25Å; T120-I122 VanDerWaalsContact O-N 3.15Å; I122-F124 PolarHBondContact O-N 3.47Å; I122-I128 HydrophobicContact CG2-CD1 4.07Å; I122-I150 HydrophobicContact CD1-CD1 4.32Å
123	P	37.8	Very low	48.5	Very low	92 Å²	92	100.2 Å²	100.2	60%	0.597	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-54.5	128.4	-170	-13.5	12.9	0	0	0	111.1	L121 H125 A126	L121-P123 WeakPolarHBondContact O-CD 3.31Å; L121-P123 VanDerWaalsContact O-N 3.15Å; P123-H125 PolarHBondContact O-N 3.18Å; P123-A126 PolarHBondContact O-N 3.16Å
124	F	43.1	Very low	51.3	Low	184 Å²	184	95.3 Å²	95.3	81%	0.807	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-4.8	-177.6	-90.6	-80.1	0	0	0	115.5	L121 I122	L121-F124 HydrophobicContact CD2-CD2 4.26Å; L121-F124 HydrophobicContact CD2-CE2 3.46Å; L121-F124 VanDerWaalsContact CD2-CE2 3.46Å; L121-F124 HydrophobicContact CD2-CZ 4.11Å; I122-F124 PolarHBondContact O-N 3.47Å
125	H	41.2	Very low	54	Low	187 Å²	187	94.4 Å²	94.4	87%	0.866	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	3.9	-174.8	-76.1	-67.1	0	0	0	115.5	P123	P123-H125 PolarHBondContact O-N 3.18Å
126	A	47.4	Very low	56.4	Low	30 Å²	30	87.7 Å²	87.7	25%	0.248	48%	0.481	C	S	.	.	S	Bend	trans	-102.4	127.2	-176.8	0	0	0	0	0	111.2	P123 I128 K152	P123-A126 PolarHBondContact O-N 3.16Å; A126-I128 PolarHBondContact O-N 2.85Å; A126-K152 HydrophobicContact CB-CD 4.45Å
127	N	61.9	Low	58.6	Low	138 Å²	138	86.1 Å²	86.1	74%	0.738	46%	0.459	S	S	*	.			trans	-69.1	73.8	-179.1	-76.7	-19.7	0	0	0	110.9	C129	N127-C129 PolarHBondContact O-N 3.44Å
128	I	59.9	Low	60.4	Low	61 Å²	61	87.4 Å²	87.4	31%	0.313	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.3	169.1	-62.3	168	0	0	0	107.4	I122 A126 L131 I150 K152	I122-I128 HydrophobicContact CG2-CD1 4.07Å; A126-I128 PolarHBondContact O-N 2.85Å; I128-L131 HydrophobicContact CG2-CD2 4.25Å; I128-I150 HydrophobicContact CG2-CG2 4.3Å; I128-K152 HydrophobicContact CG1-CB 4.46Å; I128-K152 HydrophobicContact CG1-CD 3.91Å; I128-K152 HydrophobicContact CG1-CG 4.01Å
129	C	75.4	Confident	62	Low	56 Å²	56	88 Å²	88	38%	0.378	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-42.8	179.5	-59.5	0	0	0	0	111.3	N127 L151	N127-C129 PolarHBondContact O-N 3.44Å; C129-L151 HydrophobicContact CB-CD2 4.05Å; C129-L151 HydrophobicContact CB-CG 4.13Å; C129-L151 PolarHBondContact N-O 3.23Å
130	F	85.1	Confident	63.6	Low	43 Å²	43	91.5 Å²	91.5	19%	0.189	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	153.8	-177.8	-154.8	-123.4	0	0	0	111.8	L151 A218 W219 F222	F130-L151 HydrophobicContact CB-CB 4.42Å; F130-L151 PolarHBondContact N-O 3.11Å; F130-L151 PolarHBondContact O-N 3.26Å; F130-A218 HydrophobicContact CE1-CB 3.94Å; F130-A218 HydrophobicContact CE2-CB 4.08Å; F130-A218 HydrophobicContact CZ-CB 3.56Å; F130-W219 AromaticContact CD1-CD2 3.51Å; F130-W219 HydrophobicContact CD1-CD2 3.51Å; F130-W219 AromaticContact CD1-CE2 3.54Å; F130-W219 AromaticContact CD1-CE3 3.82Å; F130-W219 HydrophobicContact CD1-CE3 3.82Å; F130-W219 AromaticContact CD1-CG 3.92Å; F130-W219 HydrophobicContact CD1-CG 3.92Å; F130-W219 HydrophobicContact CD1-CH2 4.17Å; F130-W219 AromaticContact CD1-CZ2 3.9Å; F130-W219 HydrophobicContact CD1-CZ2 3.9Å; F130-W219 HydrophobicContact CD1-CZ3 4.14Å; F130-W219 AromaticContact CD1-NE1 3.92Å; F130-W219 AromaticContact CE1-CD1 3.64Å; F130-W219 AromaticContact CE1-CD2 3.81Å; F130-W219 HydrophobicContact CE1-CD2 3.81Å; F130-W219 AromaticContact CE1-CE2 3.66Å; F130-W219 AromaticContact CE1-CG 3.79Å; F130-W219 HydrophobicContact CE1-CG 3.79Å; F130-W219 HydrophobicContact CE1-CZ2 4.3Å; F130-W219 AromaticContact CE1-NE1 3.52Å; F130-F222 HydrophobicContact CB-CB 4.24Å; F130-F222 HydrophobicContact CB-CD2 3.92Å; F130-F222 HydrophobicContact CB-CG 4.21Å; F130-F222 HydrophobicContact CD1-CD2 4.22Å; F130-F222 AromaticContact CD2-CD2 3.64Å; F130-F222 HydrophobicContact CD2-CD2 3.64Å; F130-F222 AromaticContact CD2-CE2 3.62Å; F130-F222 HydrophobicContact CD2-CE2 3.62Å; F130-F222 HydrophobicContact CE2-CD2 4.21Å; F130-F222 AromaticContact CE2-CE2 3.96Å; F130-F222 HydrophobicContact CE2-CE2 3.96Å; F130-F222 AromaticContact CG-CD2 3.67Å; F130-F222 HydrophobicContact CG-CD2 3.67Å; F130-F222 HydrophobicContact CG-CE2 4.16Å; F130-F222 HydrophobicContact CG-CG 4.45Å
131	L	88.5	Confident	64.8	Low	77 Å²	77	88.2 Å²	88.2	40%	0.403	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.7	177.8	54.3	81.5	0	0	0	110.5	I128 W148 G149 I150	I128-L131 HydrophobicContact CG2-CD2 4.25Å; L131-W148 HydrophobicContact CB-CZ2 4.05Å; L131-W148 HydrophobicContact CD1-CH2 3.63Å; L131-W148 HydrophobicContact CD1-CZ2 3.56Å; L131-W148 HydrophobicContact CD2-CZ2 4.47Å; L131-W148 HydrophobicContact CG-CZ2 4.21Å; L131-G149 VanDerWaalsContact CA-O 3.27Å; L131-G149 WeakPolarHBondContact CA-O 3.4Å; L131-I150 HydrophobicContact CB-CG1 4.36Å
132	G	87.3	Confident	65.9	Low	13 Å²	13	91.3 Å²	91.3	13%	0.134	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166	164.7	177.2	0	0	0	0	0	114	W148 G149	G132-W148 VanDerWaalsContact CA-CZ3 3.43Å; G132-G149 PolarHBondContact N-O 3.38Å; G132-G149 PolarHBondContact O-N 2.88Å
133	W	85.3	Confident	67	Low	101 Å²	101	92.4 Å²	92.4	38%	0.383	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.4	173.6	-74.9	106.1	0	0	0	110.4	S146 W148 S161 D162	W133-S146 VanDerWaalsContact CE3-OG 3.24Å; W133-W148 HydrophobicContact CB-CE3 4.32Å; W133-W148 HydrophobicContact CB-CZ3 4.41Å; W133-W148 AromaticContact CD1-CE3 3.67Å; W133-W148 AromaticContact CD1-CZ3 3.38Å; W133-W148 AromaticContact CD2-CE3 3.62Å; W133-W148 HydrophobicContact CD2-CE3 3.62Å; W133-W148 HydrophobicContact CD2-CZ3 4.17Å; W133-W148 AromaticContact CE2-CE3 3.69Å; W133-W148 HydrophobicContact CE3-CB 4.35Å; W133-W148 HydrophobicContact CE3-CE3 4.27Å; W133-W148 AromaticContact CG-CE3 3.62Å; W133-W148 HydrophobicContact CG-CE3 3.62Å; W133-W148 AromaticContact CG-CZ3 3.75Å; W133-W148 HydrophobicContact CG-CZ3 3.75Å; W133-W148 HydrophobicContact CZ2-CE3 4.42Å; W133-W148 HydrophobicContact CZ3-CB 4.29Å; W133-W148 VanDerWaalsContact N-CZ3 3.29Å; W133-W148 AromaticContact NE1-CE3 3.66Å; W133-W148 AromaticContact NE1-CZ3 3.54Å; W133-S161 VanDerWaalsContact CH2-CA 3.49Å; W133-D162 HydrophobicContact CZ2-CB 4.11Å
134	L	85.8	Confident	68.5	Low	0 Å²	0	90.9 Å²	90.9	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.6	179.3	-61.9	172.7	0	0	0	108.2	A136 V147 F158 L208 V210 W219	L134-A136 PolarHBondContact O-N 2.97Å; L134-V147 HydrophobicContact CB-CG2 4.07Å; L134-V147 PolarHBondContact N-O 3.16Å; L134-V147 VanDerWaalsContact O-CG2 3.27Å; L134-V147 WeakPolarHBondContact O-CG2 3.42Å; L134-V147 PolarHBondContact O-N 3.34Å; L134-V147 VanDerWaalsContact O-O 3.07Å; L134-F158 HydrophobicContact CD1-CD1 4.41Å; L134-F158 HydrophobicContact CD1-CE1 3.88Å; L134-L208 HydrophobicContact CB-CD2 4.31Å; L134-L208 HydrophobicContact CD1-CD1 4.22Å; L134-L208 HydrophobicContact CD1-CD2 4.45Å; L134-V210 HydrophobicContact CD2-CG2 3.64Å; L134-W219 HydrophobicContact CD1-CH2 4.31Å; L134-W219 HydrophobicContact CD1-CZ2 4.04Å; L134-W219 HydrophobicContact CD2-CD2 4.45Å; L134-W219 HydrophobicContact CD2-CZ2 4.21Å; L134-W219 HydrophobicContact CG-CZ2 4.22Å
135	R	83.8	Confident	70.2	Confident	105 Å²	105	85.4 Å²	85.4	40%	0.396	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	100.4	170.3	-74.6	-173.5	-72.2	144.6	-3.3	108.9	C209 D211	R135-C209 HydrophobicContact CB-CB 4.1Å; R135-C209 PolarHBondContact N-O 3.26Å; R135-C209 PolarHBondContact O-N 3.1Å; R135-D211 IonicContact CZ-OD1 2.72Å; R135-D211 IonicContact NE-OD1 3.84Å; R135-D211 PolarHBondContact NE-OD1 3.37Å; R135-D211 IonicContact NH2-OD1 3.26Å; R135-D211 PolarHBondContact NH2-OD1 3.04Å
136	A	77.6	Confident	72.2	Confident	13 Å²	13	79.4 Å²	79.4	11%	0.107	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.8	177.5	0	0	0	0	0	110.5	L134 S144 S145 V147 L208	L134-A136 PolarHBondContact O-N 2.97Å; A136-S144 WeakPolarHBondContact O-CA 3.19Å; A136-S145 PolarHBondContact N-O 3.29Å; A136-S145 PolarHBondContact O-N 3.18Å; A136-S145 PolarHBondContact O-OG 2.9Å; A136-V147 HydrophobicContact CB-CG1 4.49Å; A136-V147 HydrophobicContact CB-CG2 3.91Å; A136-L208 HydrophobicContact CB-CD2 3.89Å
137	R	73	Confident	74.1	Confident	67 Å²	67	78.3 Å²	78.3	25%	0.253	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.7	177.8	-168	170.6	176.1	176.9	-4.9	110.5	S141 F187 L207	R137-S141 PolarHBondContact NE-O 2.66Å; R137-S141 PolarHBondContact NH2-O 3.24Å; R137-F187 VanDerWaalsContact NH1-CD1 3.29Å; R137-L207 PolarHBondContact N-O 3.05Å
138	K	65.8	Low	75.3	Confident	163 Å²	163	73.5 Å²	73.5	71%	0.709	38%	0.377	S	S	*	.			trans	-76.4	140	170.5	-69.3	-178.2	179.5	176.9	0	109	K140 S141	K138-K140 PolarHBondContact O-N 3.48Å; K138-S141 PolarHBondContact O-N 3.04Å
139	P	60.5	Low	76.7	Confident	99 Å²	99	70.6 Å²	70.6	64%	0.643	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.4	-175.3	-27.6	33.2	0	0	0	115.4
140	K	60.8	Low	77.4	Confident	179 Å²	179	68.6 Å²	68.6	78%	0.778	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	1.8	-179.8	-62.6	-172.6	179.5	179.8	0	114.1	E86 K138	E86-K140 IonicContact OE1-NZ 2.86Å; E86-K140 IonicContact OE2-NZ 3.49Å; E86-K140 PolarHBondContact OE2-NZ 3.29Å; K138-K140 PolarHBondContact O-N 3.48Å
141	S	61.9	Low	77.6	Confident	34 Å²	34	66.5 Å²	66.5	24%	0.238	34%	0.339	C	S	.	.			trans	-99.2	141.6	-178.1	-171.7	0	0	0	0	112.4	R137 K138 T143	R137-S141 PolarHBondContact NE-O 2.66Å; R137-S141 PolarHBondContact NH2-O 3.24Å; K138-S141 PolarHBondContact O-N 3.04Å; S141-T143 VanDerWaalsContact C-N 3.35Å; S141-T143 PolarHBondContact OG-N 2.91Å; S141-T143 PolarHBondContact OG-OG1 3Å
142	K	59.9	Low	77.5	Confident	192 Å²	192	64.8 Å²	64.8	84%	0.835	33%	0.328	S	S	*	.	S	Bend	trans	-76.9	-21.6	165.9	-73.7	-172.4	178.6	-178.5	0	112.8
143	T	65.2	Low	77.3	Confident	107 Å²	107	68.9 Å²	68.9	66%	0.656	35%	0.347	S	S	*	.			trans	-84	133.6	-180	60.2	0	0	0	0	111.3	S141	S141-T143 VanDerWaalsContact C-N 3.35Å; S141-T143 PolarHBondContact OG-N 2.91Å; S141-T143 PolarHBondContact OG-OG1 3Å
144	S	69.2	Low	77.4	Confident	59 Å²	59	68.4 Å²	68.4	41%	0.413	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.9	167.5	60	0	0	0	0	109.4	A136	A136-S144 WeakPolarHBondContact O-CA 3.19Å
145	S	78.5	Confident	77.6	Confident	69 Å²	69	71.3 Å²	71.3	48%	0.483	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.4	169.2	54	0	0	0	0	108.9	A136 V147	A136-S145 PolarHBondContact N-O 3.29Å; A136-S145 PolarHBondContact O-N 3.18Å; A136-S145 PolarHBondContact O-OG 2.9Å; S145-V147 PolarHBondContact O-N 3.05Å
146	S	83.8	Confident	77.9	Confident	61 Å²	61	66.3 Å²	66.3	43%	0.427	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.5	167.2	-160.4	0	0	0	0	108.8	W133	W133-S146 VanDerWaalsContact CE3-OG 3.24Å
147	V	86.9	Confident	78.5	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.9	176.7	-63.6	0	0	0	0	108.9	L134 A136 S145 F158 Y159 L168	L134-V147 HydrophobicContact CB-CG2 4.07Å; L134-V147 PolarHBondContact N-O 3.16Å; L134-V147 VanDerWaalsContact O-CG2 3.27Å; L134-V147 WeakPolarHBondContact O-CG2 3.42Å; L134-V147 PolarHBondContact O-N 3.34Å; L134-V147 VanDerWaalsContact O-O 3.07Å; A136-V147 HydrophobicContact CB-CG1 4.49Å; A136-V147 HydrophobicContact CB-CG2 3.91Å; S145-V147 PolarHBondContact O-N 3.05Å; V147-F158 HydrophobicContact CG2-CD1 3.91Å; V147-Y159 CarbonylContact C-O 3.52Å; V147-Y159 WeakPolarHBondContact CA-O 3.35Å; V147-Y159 WeakPolarHBondContact CB-O 3.47Å; V147-L168 HydrophobicContact CG1-CD1 3.96Å
148	W	87.8	Confident	79.3	Confident	37 Å²	37	64.6 Å²	64.6	14%	0.14	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.9	173.6	-177.5	-114.6	0	0	0	109.4	L131 G132 W133 F158 Y159 D162	L131-W148 HydrophobicContact CB-CZ2 4.05Å; L131-W148 HydrophobicContact CD1-CH2 3.63Å; L131-W148 HydrophobicContact CD1-CZ2 3.56Å; L131-W148 HydrophobicContact CD2-CZ2 4.47Å; L131-W148 HydrophobicContact CG-CZ2 4.21Å; G132-W148 VanDerWaalsContact CA-CZ3 3.43Å; W133-W148 HydrophobicContact CB-CE3 4.32Å; W133-W148 HydrophobicContact CB-CZ3 4.41Å; W133-W148 AromaticContact CD1-CE3 3.67Å; W133-W148 AromaticContact CD1-CZ3 3.38Å; W133-W148 AromaticContact CD2-CE3 3.62Å; W133-W148 HydrophobicContact CD2-CE3 3.62Å; W133-W148 HydrophobicContact CD2-CZ3 4.17Å; W133-W148 AromaticContact CE2-CE3 3.69Å; W133-W148 HydrophobicContact CE3-CB 4.35Å; W133-W148 HydrophobicContact CE3-CE3 4.27Å; W133-W148 AromaticContact CG-CE3 3.62Å; W133-W148 HydrophobicContact CG-CE3 3.62Å; W133-W148 AromaticContact CG-CZ3 3.75Å; W133-W148 HydrophobicContact CG-CZ3 3.75Å; W133-W148 HydrophobicContact CZ2-CE3 4.42Å; W133-W148 HydrophobicContact CZ3-CB 4.29Å; W133-W148 VanDerWaalsContact N-CZ3 3.29Å; W133-W148 AromaticContact NE1-CE3 3.66Å; W133-W148 AromaticContact NE1-CZ3 3.54Å; W148-F158 CarbonylContact O-C 3.56Å; W148-F158 WeakPolarHBondContact O-CA 3.46Å; W148-Y159 PolarHBondContact N-O 3.27Å; W148-Y159 PolarHBondContact O-N 3.2Å; W148-D162 HydrophobicContact CD2-CB 3.83Å; W148-D162 HydrophobicContact CE3-CB 4.2Å; W148-D162 HydrophobicContact CG-CB 4.09Å; W148-D162 HydrophobicContact CZ2-CB 4.24Å
149	G	89.4	Confident	80.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	179.6	0	0	0	0	0	111.5	L131 G132 K157	L131-G149 VanDerWaalsContact CA-O 3.27Å; L131-G149 WeakPolarHBondContact CA-O 3.4Å; G132-G149 PolarHBondContact N-O 3.38Å; G132-G149 PolarHBondContact O-N 2.88Å; G149-K157 CarbonylContact C-O 3.59Å; G149-K157 WeakPolarHBondContact CA-O 3.18Å
150	I	89.5	Confident	81.6	Confident	13 Å²	13	63 Å²	63	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.9	173.3	-56.1	-177.7	0	0	0	108.6	I122 I128 L131 K152 K157 Y159	I122-I150 HydrophobicContact CD1-CD1 4.32Å; I128-I150 HydrophobicContact CG2-CG2 4.3Å; L131-I150 HydrophobicContact CB-CG1 4.36Å; I150-K152 HydrophobicContact CG2-CB 4.01Å; I150-K157 PolarHBondContact N-O 3.11Å; I150-K157 PolarHBondContact O-N 2.65Å; I150-Y159 HydrophobicContact CB-CE2 4.38Å; I150-Y159 HydrophobicContact CD1-CD2 3.98Å; I150-Y159 HydrophobicContact CD1-CE2 3.71Å; I150-Y159 HydrophobicContact CG1-CD2 4.22Å; I150-Y159 HydrophobicContact CG1-CE2 4.13Å
151	L	90	Very high	82.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.1	168.7	179.6	67.6	0	0	0	109.1	C129 F130 L156 C173 W219 F222 I223	C129-L151 HydrophobicContact CB-CD2 4.05Å; C129-L151 HydrophobicContact CB-CG 4.13Å; C129-L151 PolarHBondContact N-O 3.23Å; F130-L151 HydrophobicContact CB-CB 4.42Å; F130-L151 PolarHBondContact N-O 3.11Å; F130-L151 PolarHBondContact O-N 3.26Å; L151-L156 HydrophobicContact CB-CD1 4.3Å; L151-L156 HydrophobicContact CD1-CB 4.38Å; L151-C173 VanDerWaalsContact CD1-SG 3.56Å; L151-W219 HydrophobicContact CB-CZ3 3.96Å; L151-F222 VanDerWaalsContact CD2-C 3.5Å; L151-F222 HydrophobicContact CD2-CB 3.73Å; L151-I223 HydrophobicContact CD2-CG1 4.1Å
152	K	85.4	Confident	83.5	Confident	40 Å²	40	59.3 Å²	59.3	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.4	-174.9	-175.9	-168	176.6	176.2	0	109.8	A126 I128 I150 N154 E155	A126-K152 HydrophobicContact CB-CD 4.45Å; I128-K152 HydrophobicContact CG1-CB 4.46Å; I128-K152 HydrophobicContact CG1-CD 3.91Å; I128-K152 HydrophobicContact CG1-CG 4.01Å; I150-K152 HydrophobicContact CG2-CB 4.01Å; K152-N154 PolarHBondContact O-N 3.33Å; K152-E155 PolarHBondContact N-O 3.15Å; K152-E155 PolarHBondContact O-N 3.08Å
153	D	83.3	Confident	84.5	Confident	99 Å²	99	53.9 Å²	53.9	53%	0.529	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.2	175.8	-53.2	-38.6	0	0	0	113.3	E155	D153-E155 PolarHBondContact O-N 3.3Å
154	N	86.4	Confident	85	Confident	92 Å²	92	50.4 Å²	50.4	49%	0.492	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	25	-174.8	-59.6	-36.2	0	0	0	114.6	K152 C173 S226	K152-N154 PolarHBondContact O-N 3.33Å; N154-C173 VanDerWaalsContact C-SG 3.53Å; N154-C173 HydrophobicContact CB-CB 4.43Å; N154-C173 WeakPolarHBondContact O-CB 3.37Å; N154-C173 PolarHBondContact O-N 3.12Å; N154-C173 PolarHBondContact O-SG 2.9Å; N154-S226 WeakPolarHBondContact OD1-CB 3.04Å; N154-S226 PolarHBondContact OD1-OG 3.02Å
155	E	90	Very high	85.4	Confident	60 Å²	60	54.7 Å²	54.7	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.1	171.5	-66.8	-163	121.4	0	0	110.7	K152 D153 K157	K152-E155 PolarHBondContact N-O 3.15Å; K152-E155 PolarHBondContact O-N 3.08Å; D153-E155 PolarHBondContact O-N 3.3Å; E155-K157 HydrophobicContact CB-CG 4.35Å; E155-K157 WeakPolarHBondContact OE2-CE 3.09Å; E155-K157 IonicContact OE2-NZ 3.03Å; E155-K157 PolarHBondContact OE2-NZ 2.95Å
156	L	91	Very high	85.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	106.8	171.2	-178.5	62.7	0	0	0	109	L151 F158 L171 W219 I223	L151-L156 HydrophobicContact CB-CD1 4.3Å; L151-L156 HydrophobicContact CD1-CB 4.38Å; L156-F158 HydrophobicContact CD1-CZ 4.47Å; L156-F158 HydrophobicContact CD2-CE1 4.36Å; L156-F158 HydrophobicContact CD2-CE2 4.17Å; L156-F158 HydrophobicContact CD2-CZ 3.56Å; L156-F158 HydrophobicContact CG-CE1 4.29Å; L156-F158 HydrophobicContact CG-CE2 3.98Å; L156-F158 HydrophobicContact CG-CZ 3.66Å; L156-L171 HydrophobicContact CB-CB 4.4Å; L156-L171 PolarHBondContact N-O 3.13Å; L156-L171 PolarHBondContact O-N 3.37Å; L156-W219 HydrophobicContact CD1-CE3 4.38Å; L156-W219 HydrophobicContact CD1-CH2 4.25Å; L156-W219 HydrophobicContact CD1-CZ3 3.58Å; L156-I223 HydrophobicContact CD2-CD1 4.11Å
157	K	90.5	Very high	85.6	Confident	42 Å²	42	60.8 Å²	60.8	18%	0.183	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.9	-175.7	-65.3	179.2	-176.6	174.7	0	110.5	G149 I150 E155 Y159 L167	G149-K157 CarbonylContact C-O 3.59Å; G149-K157 WeakPolarHBondContact CA-O 3.18Å; I150-K157 PolarHBondContact N-O 3.11Å; I150-K157 PolarHBondContact O-N 2.65Å; E155-K157 HydrophobicContact CB-CG 4.35Å; E155-K157 WeakPolarHBondContact OE2-CE 3.09Å; E155-K157 IonicContact OE2-NZ 3.03Å; E155-K157 PolarHBondContact OE2-NZ 2.95Å; K157-Y159 HydrophobicContact CB-CE2 3.68Å; K157-L167 HydrophobicContact CB-CD1 3.77Å; K157-L167 HydrophobicContact CD-CD1 4.39Å; K157-L167 HydrophobicContact CG-CD1 4.05Å
158	F	90	Very high	85.5	Confident	2 Å²	2	65 Å²	65	1%	0.009	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.5	179.1	-57.9	-82.3	0	0	0	110.6	L134 V147 W148 L156 L168 D169 L208	L134-F158 HydrophobicContact CD1-CD1 4.41Å; L134-F158 HydrophobicContact CD1-CE1 3.88Å; V147-F158 HydrophobicContact CG2-CD1 3.91Å; W148-F158 CarbonylContact O-C 3.56Å; W148-F158 WeakPolarHBondContact O-CA 3.46Å; L156-F158 HydrophobicContact CD1-CZ 4.47Å; L156-F158 HydrophobicContact CD2-CE1 4.36Å; L156-F158 HydrophobicContact CD2-CE2 4.17Å; L156-F158 HydrophobicContact CD2-CZ 3.56Å; L156-F158 HydrophobicContact CG-CE1 4.29Å; L156-F158 HydrophobicContact CG-CE2 3.98Å; L156-F158 HydrophobicContact CG-CZ 3.66Å; F158-L168 WeakPolarHBondContact O-CB 3.26Å; F158-L168 PolarHBondContact O-N 3.28Å; F158-D169 HydrophobicContact CD2-CB 4.26Å; F158-D169 PolarHBondContact N-O 2.94Å; F158-D169 PolarHBondContact O-N 3.47Å; F158-L208 HydrophobicContact CE1-CD1 4.12Å; F158-L208 HydrophobicContact CE1-CD2 4.04Å; F158-L208 HydrophobicContact CZ-CD1 4.18Å
159	Y	89.3	Confident	85.5	Confident	44 Å²	44	65.7 Å²	65.7	17%	0.173	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159.2	179.2	-60.7	-93.5	0	0	0	110	V147 W148 I150 K157 S161 C164 L167	V147-Y159 CarbonylContact C-O 3.52Å; V147-Y159 WeakPolarHBondContact CA-O 3.35Å; V147-Y159 WeakPolarHBondContact CB-O 3.47Å; W148-Y159 PolarHBondContact N-O 3.27Å; W148-Y159 PolarHBondContact O-N 3.2Å; I150-Y159 HydrophobicContact CB-CE2 4.38Å; I150-Y159 HydrophobicContact CD1-CD2 3.98Å; I150-Y159 HydrophobicContact CD1-CE2 3.71Å; I150-Y159 HydrophobicContact CG1-CD2 4.22Å; I150-Y159 HydrophobicContact CG1-CE2 4.13Å; K157-Y159 HydrophobicContact CB-CE2 3.68Å; Y159-S161 VanDerWaalsContact C-N 3.33Å; Y159-S161 WeakPolarHBondContact CB-O 3.41Å; Y159-C164 WeakPolarHBondContact CD1-O 3.36Å; Y159-L167 HydrophobicContact CE1-CB 4.21Å; Y159-L167 HydrophobicContact CE1-CD1 4.16Å; Y159-L167 HydrophobicContact CE2-CD1 4.29Å
160	R	84.7	Confident	85.5	Confident	183 Å²	183	67 Å²	67	69%	0.691	34%	0.34	S	S	*	.	S	Bend	trans	-70.2	-33.9	180	-162	-179.8	-144.4	175.8	5.8	112.3	C164 L168	R160-C164 HydrophobicContact CB-CB 4.3Å; R160-L168 HydrophobicContact CB-CD1 4.11Å; R160-L168 HydrophobicContact CB-CD2 4.36Å; R160-L168 HydrophobicContact CB-CG 4.38Å
161	S	83.1	Confident	85.6	Confident	39 Å²	39	66.6 Å²	66.6	27%	0.273	34%	0.338	S	S	.	.	S	Bend	trans	-150	170.2	172.8	62.1	0	0	0	0	110.3	W133 Y159 A163 C164	W133-S161 VanDerWaalsContact CH2-CA 3.49Å; Y159-S161 VanDerWaalsContact C-N 3.33Å; Y159-S161 WeakPolarHBondContact CB-O 3.41Å; S161-A163 VanDerWaalsContact C-N 3.26Å; S161-A163 PolarHBondContact O-N 2.96Å; S161-C164 WeakPolarHBondContact O-CB 3.34Å; S161-C164 PolarHBondContact O-N 3.24Å; S161-C164 VanDerWaalsContact O-N 3.15Å; S161-C164 WeakPolarHBondContact OG-CB 3.34Å; S161-C164 PolarHBondContact OG-N 2.76Å
162	D	79.2	Confident	85.6	Confident	97 Å²	97	68.3 Å²	68.3	52%	0.519	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.9	174.1	59.5	-21	0	0	0	114	W133 W148	W133-D162 HydrophobicContact CZ2-CB 4.11Å; W148-D162 HydrophobicContact CD2-CB 3.83Å; W148-D162 HydrophobicContact CE3-CB 4.2Å; W148-D162 HydrophobicContact CG-CB 4.09Å; W148-D162 HydrophobicContact CZ2-CB 4.24Å
163	A	82.1	Confident	85.8	Confident	79 Å²	79	66.4 Å²	66.4	65%	0.653	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3	173.5	0	0	0	0	0	114.2	S161	S161-A163 VanDerWaalsContact C-N 3.26Å; S161-A163 PolarHBondContact O-N 2.96Å
164	C	75.7	Confident	86.1	Confident	34 Å²	34	65 Å²	65	23%	0.23	34%	0.343	C	S	.	.			trans	-85.8	121.2	-173	-168.1	0	0	0	0	111.7	Y159 R160 S161	Y159-C164 WeakPolarHBondContact CD1-O 3.36Å; R160-C164 HydrophobicContact CB-CB 4.3Å; S161-C164 WeakPolarHBondContact O-CB 3.34Å; S161-C164 PolarHBondContact O-N 3.24Å; S161-C164 VanDerWaalsContact O-N 3.15Å; S161-C164 WeakPolarHBondContact OG-CB 3.34Å; S161-C164 PolarHBondContact OG-N 2.76Å
165	E	76.6	Confident	86.4	Confident	149 Å²	149	63.1 Å²	63.1	70%	0.696	33%	0.333	S	S	*	.			trans	-78.6	-20.4	174.7	-61.2	-173.4	161.1	0	0	113.1	T120 L167	T120-E165 PolarHBondContact OG1-OE1 3.27Å; E165-L167 PolarHBondContact O-N 3.39Å
166	K	82.5	Confident	86.5	Confident	170 Å²	170	60.4 Å²	60.4	74%	0.739	32%	0.321	S	S	*	.	S	Bend	trans	-78.1	111.1	-178.3	-69.3	-174	-179.8	179.5	0	110.8	L168	K166-L168 PolarHBondContact O-N 3.15Å
167	L	85.2	Confident	86.7	Confident	87 Å²	87	61.1 Å²	61.1	46%	0.455	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	124	172.5	-177.8	69.8	0	0	0	110.6	K157 Y159 E165 D169	K157-L167 HydrophobicContact CB-CD1 3.77Å; K157-L167 HydrophobicContact CD-CD1 4.39Å; K157-L167 HydrophobicContact CG-CD1 4.05Å; Y159-L167 HydrophobicContact CE1-CB 4.21Å; Y159-L167 HydrophobicContact CE1-CD1 4.16Å; Y159-L167 HydrophobicContact CE2-CD1 4.29Å; E165-L167 PolarHBondContact O-N 3.39Å; L167-D169 VanDerWaalsContact CD1-O 3.31Å; L167-D169 WeakPolarHBondContact CD1-O 3.49Å
168	L	84.9	Confident	86.9	Confident	97 Å²	97	59.1 Å²	59.1	51%	0.508	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-47.3	173.2	-66.1	178.7	0	0	0	111.5	V147 F158 R160 K166	V147-L168 HydrophobicContact CG1-CD1 3.96Å; F158-L168 WeakPolarHBondContact O-CB 3.26Å; F158-L168 PolarHBondContact O-N 3.28Å; R160-L168 HydrophobicContact CB-CD1 4.11Å; R160-L168 HydrophobicContact CB-CD2 4.36Å; R160-L168 HydrophobicContact CB-CG 4.38Å; K166-L168 PolarHBondContact O-N 3.15Å
169	D	85.8	Confident	87.1	Confident	52 Å²	52	59 Å²	59	28%	0.278	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	153.2	-179.3	-163.8	12.2	0	0	0	110.1	F158 L167 R206	F158-D169 HydrophobicContact CD2-CB 4.26Å; F158-D169 PolarHBondContact N-O 2.94Å; F158-D169 PolarHBondContact O-N 3.47Å; L167-D169 VanDerWaalsContact CD1-O 3.31Å; L167-D169 WeakPolarHBondContact CD1-O 3.49Å; D169-R206 IonicContact OD2-CZ 3.99Å; D169-R206 IonicContact OD2-NH2 3.79Å; D169-R206 PolarHBondContact OD2-NH2 3.14Å
170	S	89.8	Confident	87.3	Confident	28 Å²	28	57.1 Å²	57.1	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.7	174	-177.1	0	0	0	0	110.1
171	L	91.3	Very high	87.4	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.2	176.9	175.8	56.4	0	0	0	110	L156 C173 N175 I176 V193 Y195	L156-L171 HydrophobicContact CB-CB 4.4Å; L156-L171 PolarHBondContact N-O 3.13Å; L156-L171 PolarHBondContact O-N 3.37Å; L171-C173 PolarHBondContact O-N 3.35Å; L171-N175 HydrophobicContact CD1-CB 4.25Å; L171-I176 HydrophobicContact CD2-CD1 4.21Å; L171-I176 HydrophobicContact CD2-CG1 3.96Å; L171-I176 HydrophobicContact CG-CD1 4.48Å; L171-I176 HydrophobicContact CG-CG1 4.18Å; L171-V193 HydrophobicContact CD2-CG1 3.94Å; L171-Y195 HydrophobicContact CD1-CD2 3.31Å; L171-Y195 HydrophobicContact CD1-CE2 3.9Å; L171-Y195 HydrophobicContact CD1-CG 3.71Å; L171-Y195 HydrophobicContact CD2-CD1 3.87Å; L171-Y195 HydrophobicContact CD2-CD2 4.05Å; L171-Y195 HydrophobicContact CD2-CE1 4.34Å; L171-Y195 HydrophobicContact CD2-CE2 4.46Å; L171-Y195 HydrophobicContact CD2-CG 3.72Å; L171-Y195 HydrophobicContact CG-CD2 4.33Å; L171-Y195 HydrophobicContact CG-CG 4.39Å
172	P	91.8	Very high	87.5	Confident	36 Å²	36	51.6 Å²	51.6	23%	0.234	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	128.7	169.9	-24.6	34.6	0	0	0	110.9	A174 N175	P172-A174 PolarHBondContact O-N 3.09Å; P172-N175 WeakPolarHBondContact O-CB 3.36Å; P172-N175 PolarHBondContact O-N 3.46Å
173	C	89.7	Confident	87.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.9	179.8	-67.2	0	0	0	0	111.6	L151 N154 L171 N175 I176 T227	L151-C173 VanDerWaalsContact CD1-SG 3.56Å; N154-C173 VanDerWaalsContact C-SG 3.53Å; N154-C173 HydrophobicContact CB-CB 4.43Å; N154-C173 WeakPolarHBondContact O-CB 3.37Å; N154-C173 PolarHBondContact O-N 3.12Å; N154-C173 PolarHBondContact O-SG 2.9Å; L171-C173 PolarHBondContact O-N 3.35Å; C173-N175 PolarHBondContact O-N 2.81Å; C173-N175 VanDerWaalsContact O-N 3.08Å; C173-I176 HydrophobicContact CB-CD1 4.36Å; C173-I176 WeakPolarHBondContact O-CB 3.45Å; C173-I176 PolarHBondContact O-N 3.24Å; C173-T227 HydrophobicContact CB-CG2 3.89Å; C173-T227 WeakPolarHBondContact O-CG2 3.41Å
174	A	88.5	Confident	87	Confident	70 Å²	70	48.8 Å²	48.8	58%	0.579	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-54	-30.9	174.1	0	0	0	0	0	113.7	P172 K244	P172-A174 PolarHBondContact O-N 3.09Å; A174-K244 PolarHBondContact O-NZ 3.41Å; A174-K244 VanDerWaalsContact O-NZ 3.09Å
175	N	92.1	Very high	86.7	Confident	52 Å²	52	53.5 Å²	53.5	28%	0.278	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-86	-7.1	-178.9	-67.3	-13.9	0	0	0	113.7	L171 P172 C173 Y195 V196	L171-N175 HydrophobicContact CD1-CB 4.25Å; P172-N175 WeakPolarHBondContact O-CB 3.36Å; P172-N175 PolarHBondContact O-N 3.46Å; C173-N175 PolarHBondContact O-N 2.81Å; C173-N175 VanDerWaalsContact O-N 3.08Å; N175-Y195 CarbonylContact O-C 3.57Å; N175-Y195 VanDerWaalsContact O-CA 3.25Å; N175-Y195 WeakPolarHBondContact O-CA 3.15Å; N175-Y195 WeakPolarHBondContact O-CB 3.5Å; N175-V196 PolarHBondContact O-N 2.88Å
176	I	93.8	Very high	86.3	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132	177.7	-62.1	177.6	0	0	0	109.1	L171 C173 V179 V193 I223 T227	L171-I176 HydrophobicContact CD2-CD1 4.21Å; L171-I176 HydrophobicContact CD2-CG1 3.96Å; L171-I176 HydrophobicContact CG-CD1 4.48Å; L171-I176 HydrophobicContact CG-CG1 4.18Å; C173-I176 HydrophobicContact CB-CD1 4.36Å; C173-I176 WeakPolarHBondContact O-CB 3.45Å; C173-I176 PolarHBondContact O-N 3.24Å; I176-V179 HydrophobicContact CG2-CG2 3.4Å; I176-V193 HydrophobicContact CD1-CG1 4.22Å; I176-V193 HydrophobicContact CG1-CG1 4.25Å; I176-V193 HydrophobicContact CG2-CG1 4.32Å; I176-I223 HydrophobicContact CD1-CG2 3.54Å; I176-T227 HydrophobicContact CB-CG2 3.91Å; I176-T227 HydrophobicContact CD1-CG2 4.15Å; I176-T227 HydrophobicContact CG2-CG2 4.16Å
177	L	93.2	Very high	85.7	Confident	16 Å²	16	48.3 Å²	48.3	8%	0.084	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-40	-178.3	-59.8	177.8	0	0	0	111.9	Y194 V196 T203 G243 K244 L343	L177-Y194 PolarHBondContact N-O 3.22Å; L177-V196 HydrophobicContact CD1-CG2 3.8Å; L177-V196 HydrophobicContact CD2-CG2 4.1Å; L177-V196 HydrophobicContact CG-CG2 4.1Å; L177-T203 HydrophobicContact CD1-CG2 4.11Å; L177-G243 CarbonylContact O-C 3.6Å; L177-G243 WeakPolarHBondContact O-CA 3.07Å; L177-K244 PolarHBondContact O-N 3.05Å; L177-L343 HydrophobicContact CB-CD1 3.7Å; L177-L343 HydrophobicContact CD1-CD1 3.67Å; L177-L343 HydrophobicContact CG-CD1 4.33Å
178	L	95.2	Very high	85.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	133.9	179.2	174	64.5	0	0	0	109.4	Y194 V242 L343 L346 W347 I350	L178-Y194 HydrophobicContact CB-CD2 4.18Å; L178-Y194 HydrophobicContact CD2-CD2 4.17Å; L178-Y194 HydrophobicContact CD2-CE2 4.45Å; L178-Y194 HydrophobicContact CG-CD2 4.23Å; L178-Y194 PolarHBondContact N-O 2.82Å; L178-Y194 PolarHBondContact O-N 2.94Å; L178-V242 CarbonylContact C-O 3.58Å; L178-V242 WeakPolarHBondContact CA-O 3.4Å; L178-V242 WeakPolarHBondContact CD1-O 3.4Å; L178-L343 HydrophobicContact CB-CD2 4.25Å; L178-L343 HydrophobicContact CD2-CD2 4.22Å; L178-L346 HydrophobicContact CD2-CB 3.76Å; L178-L346 HydrophobicContact CD2-CD1 3.9Å; L178-L346 HydrophobicContact CD2-CG 4.5Å; L178-W347 HydrophobicContact CD1-CD2 4.38Å; L178-W347 HydrophobicContact CD1-CH2 4.09Å; L178-W347 HydrophobicContact CD1-CZ2 3.58Å; L178-I350 HydrophobicContact CD1-CD1 4.47Å
179	V	94.7	Very high	85.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.8	167.1	-173	0	0	0	0	107.4	I176 L191 A192 V193 I220 I223 A241 V242	I176-V179 HydrophobicContact CG2-CG2 3.4Å; V179-L191 HydrophobicContact CG1-CD1 3.33Å; V179-L191 HydrophobicContact CG1-CG 4.25Å; V179-A192 WeakPolarHBondContact CA-O 3.12Å; V179-V193 HydrophobicContact CG1-CG2 4.26Å; V179-V193 HydrophobicContact CG2-CG1 4.33Å; V179-V193 HydrophobicContact CG2-CG2 4.49Å; V179-I220 HydrophobicContact CG1-CG1 4.09Å; V179-I220 HydrophobicContact CG1-CG2 4.47Å; V179-I223 HydrophobicContact CG2-CG2 3.81Å; V179-A241 CarbonylContact O-C 3.56Å; V179-A241 WeakPolarHBondContact O-CA 3.29Å; V179-V242 HydrophobicContact CB-CG2 3.73Å; V179-V242 HydrophobicContact CG2-CG2 4.21Å; V179-V242 PolarHBondContact N-O 3.49Å; V179-V242 PolarHBondContact O-N 3.49Å
180	S	92.5	Very high	85.1	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.5	-178.9	64.1	0	0	0	0	110.7	Q182 A192	S180-Q182 PolarHBondContact O-N 3.25Å; S180-Q182 PolarHBondContact OG-NE2 2.91Å; S180-A192 PolarHBondContact N-O 3.18Å; S180-A192 VanDerWaalsContact N-O 3.11Å; S180-A192 PolarHBondContact O-N 3.36Å
181	K	88.2	Confident	85.1	Confident	66 Å²	66	40.3 Å²	40.3	29%	0.287	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	127	161.5	-176.2	177.2	179.6	-172.2	0	109.3	E213 L216 I220 D240	K181-E213 IonicContact NZ-OE1 3.22Å; K181-E213 PolarHBondContact NZ-OE1 2.93Å; K181-L216 HydrophobicContact CB-CD2 3.8Å; K181-L216 HydrophobicContact CD-CD2 3.8Å; K181-L216 HydrophobicContact CG-CD2 3.6Å; K181-I220 HydrophobicContact CB-CD1 3.67Å; K181-D240 PolarHBondContact N-O 3.46Å; K181-D240 VanDerWaalsContact N-O 3.13Å
182	Q	84	Confident	85.1	Confident	40 Å²	40	40.1 Å²	40.1	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.8	172	-66.3	-179	16.3	0	0	108.7	S180 P189 Y190 A192 Y194	S180-Q182 PolarHBondContact O-N 3.25Å; S180-Q182 PolarHBondContact OG-NE2 2.91Å; Q182-P189 CarbonylContact O-C 3.55Å; Q182-P189 WeakPolarHBondContact O-CA 3.35Å; Q182-Y190 HydrophobicContact CB-CD1 4.43Å; Q182-Y190 HydrophobicContact CB-CD2 4.22Å; Q182-Y190 HydrophobicContact CB-CE1 3.81Å; Q182-Y190 HydrophobicContact CB-CE2 3.54Å; Q182-Y190 WeakPolarHBondContact CB-OH 3.35Å; Q182-Y190 HydrophobicContact CG-CE2 4.31Å; Q182-Y190 PolarHBondContact N-O 3.27Å; Q182-Y190 PolarHBondContact O-N 3.28Å; Q182-Y190 PolarHBondContact OE1-OH 3.01Å; Q182-A192 HydrophobicContact CG-CB 4.16Å; Q182-Y194 PolarHBondContact NE2-OH 3.42Å
183	C	77.8	Confident	85.1	Confident	100 Å²	100	38.5 Å²	38.5	68%	0.676	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.9	179.6	-165.2	0	0	0	0	109.2
184	S	74	Confident	85.3	Confident	17 Å²	17	39.1 Å²	39.1	12%	0.119	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138	173.2	178.3	0	0	0	0	109.4	D186 F187 G188	S184-D186 PolarHBondContact O-N 3.49Å; S184-D186 PolarHBondContact OG-N 3.4Å; S184-F187 VanDerWaalsContact CB-CZ 3.4Å; S184-F187 PolarHBondContact O-N 3.43Å; S184-F187 VanDerWaalsContact OG-CE1 3.26Å; S184-F187 WeakPolarHBondContact OG-CE1 3.34Å; S184-F187 WeakPolarHBondContact OG-CZ 3.36Å; S184-G188 PolarHBondContact N-O 2.93Å; S184-G188 WeakPolarHBondContact O-CA 3.43Å; S184-G188 PolarHBondContact O-N 3.4Å
185	P	68.2	Low	85.5	Confident	133 Å²	133	36.5 Å²	36.5	86%	0.864	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.9	172.5	-22.3	32.1	0	0	0	112.9
186	D	70	Confident	85.4	Confident	137 Å²	137	35.3 Å²	35.3	73%	0.733	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.2	-169.2	-66.5	-24.7	0	0	0	114.4	S184	S184-D186 PolarHBondContact O-N 3.49Å; S184-D186 PolarHBondContact OG-N 3.4Å
187	F	68.7	Low	85.1	Confident	74 Å²	74	36.5 Å²	36.5	33%	0.325	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-154.2	8.7	-172.3	47.6	-93.3	0	0	0	115	R137 S184 Y190	R137-F187 VanDerWaalsContact NH1-CD1 3.29Å; S184-F187 VanDerWaalsContact CB-CZ 3.4Å; S184-F187 PolarHBondContact O-N 3.43Å; S184-F187 VanDerWaalsContact OG-CE1 3.26Å; S184-F187 WeakPolarHBondContact OG-CE1 3.34Å; S184-F187 WeakPolarHBondContact OG-CZ 3.36Å; F187-Y190 HydrophobicContact CD2-CD1 4.28Å; F187-Y190 AromaticContact CE2-CD1 3.52Å; F187-Y190 HydrophobicContact CE2-CD1 3.52Å; F187-Y190 HydrophobicContact CE2-CE1 4.09Å; F187-Y190 HydrophobicContact CE2-CG 4.02Å; F187-Y190 HydrophobicContact CZ-CD1 4.34Å; F187-Y190 HydrophobicContact CZ-CE1 4.5Å
188	G	76.4	Confident	84.5	Confident	22 Å²	22	38.9 Å²	38.9	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.2	-152.8	175	0	0	0	0	0	114	S184	S184-G188 PolarHBondContact N-O 2.93Å; S184-G188 WeakPolarHBondContact O-CA 3.43Å; S184-G188 PolarHBondContact O-N 3.4Å
189	P	81.8	Confident	83.9	Confident	43 Å²	43	49.4 Å²	49.4	28%	0.279	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.6	-173	30.4	-34.2	0	0	0	111.8	Q182 L216	Q182-P189 CarbonylContact O-C 3.55Å; Q182-P189 WeakPolarHBondContact O-CA 3.35Å; P189-L216 HydrophobicContact CB-CD1 4.12Å
190	Y	85.4	Confident	83.3	Confident	31 Å²	31	54.9 Å²	54.9	12%	0.122	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155	176.6	65	-89	0	0	0	111.9	Q182 F187 A192 L207	Q182-Y190 HydrophobicContact CB-CD1 4.43Å; Q182-Y190 HydrophobicContact CB-CD2 4.22Å; Q182-Y190 HydrophobicContact CB-CE1 3.81Å; Q182-Y190 HydrophobicContact CB-CE2 3.54Å; Q182-Y190 WeakPolarHBondContact CB-OH 3.35Å; Q182-Y190 HydrophobicContact CG-CE2 4.31Å; Q182-Y190 PolarHBondContact N-O 3.27Å; Q182-Y190 PolarHBondContact O-N 3.28Å; Q182-Y190 PolarHBondContact OE1-OH 3.01Å; F187-Y190 HydrophobicContact CD2-CD1 4.28Å; F187-Y190 AromaticContact CE2-CD1 3.52Å; F187-Y190 HydrophobicContact CE2-CD1 3.52Å; F187-Y190 HydrophobicContact CE2-CE1 4.09Å; F187-Y190 HydrophobicContact CE2-CG 4.02Å; F187-Y190 HydrophobicContact CZ-CD1 4.34Å; F187-Y190 HydrophobicContact CZ-CE1 4.5Å; Y190-A192 HydrophobicContact CD2-CB 4.32Å; Y190-A192 HydrophobicContact CE2-CB 3.98Å; Y190-L207 HydrophobicContact CD2-CB 4.44Å; Y190-L207 HydrophobicContact CD2-CD2 4.02Å; Y190-L207 HydrophobicContact CE2-CD2 3.66Å
191	L	89.4	Confident	82.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.3	174.6	178.8	69.1	0	0	0	109.3	V179 V193 L208 L216 W219 I220 I223	V179-L191 HydrophobicContact CG1-CD1 3.33Å; V179-L191 HydrophobicContact CG1-CG 4.25Å; L191-V193 HydrophobicContact CD2-CG2 4.22Å; L191-V193 HydrophobicContact CG-CG2 4.03Å; L191-L208 HydrophobicContact CB-CB 4.14Å; L191-L208 WeakPolarHBondContact CB-O 2.93Å; L191-L208 HydrophobicContact CD2-CB 4.35Å; L191-L208 HydrophobicContact CD2-CD1 4.02Å; L191-L208 PolarHBondContact N-O 3.45Å; L191-L208 PolarHBondContact O-N 3.42Å; L191-L216 HydrophobicContact CB-CG 4.43Å; L191-W219 HydrophobicContact CD2-CB 3.91Å; L191-W219 HydrophobicContact CD2-CG 4.39Å; L191-I220 HydrophobicContact CD1-CD1 4.04Å; L191-I220 HydrophobicContact CD1-CG1 3.3Å; L191-I223 HydrophobicContact CD2-CD1 4.19Å
192	A	90.9	Very high	82.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118	173.6	0	0	0	0	0	110	V179 S180 Q182 Y190 Y194 L207	V179-A192 WeakPolarHBondContact CA-O 3.12Å; S180-A192 PolarHBondContact N-O 3.18Å; S180-A192 VanDerWaalsContact N-O 3.11Å; S180-A192 PolarHBondContact O-N 3.36Å; Q182-A192 HydrophobicContact CG-CB 4.16Å; Y190-A192 HydrophobicContact CD2-CB 4.32Å; Y190-A192 HydrophobicContact CE2-CB 3.98Å; A192-Y194 HydrophobicContact CB-CE2 3.81Å; A192-L207 HydrophobicContact CB-CD2 4.25Å
193	V	93	Very high	82.8	Confident	2 Å²	2	71 Å²	71	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.4	177.2	-176.4	0	0	0	0	109.1	L171 I176 V179 L191 Y195 C205 R206 L208	L171-V193 HydrophobicContact CD2-CG1 3.94Å; I176-V193 HydrophobicContact CD1-CG1 4.22Å; I176-V193 HydrophobicContact CG1-CG1 4.25Å; I176-V193 HydrophobicContact CG2-CG1 4.32Å; V179-V193 HydrophobicContact CG1-CG2 4.26Å; V179-V193 HydrophobicContact CG2-CG1 4.33Å; V179-V193 HydrophobicContact CG2-CG2 4.49Å; L191-V193 HydrophobicContact CD2-CG2 4.22Å; L191-V193 HydrophobicContact CG-CG2 4.03Å; V193-Y195 HydrophobicContact CG1-CD1 4.36Å; V193-C205 WeakPolarHBondContact O-CA 3.29Å; V193-R206 PolarHBondContact N-O 2.95Å; V193-R206 PolarHBondContact O-N 3.37Å; V193-L208 HydrophobicContact CG2-CD1 4.08Å
194	Y	93.7	Very high	83.4	Confident	13 Å²	13	70.2 Å²	70.2	5%	0.051	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.8	173.2	-61.5	-91.7	0	0	0	109.8	L177 L178 Q182 A192 K204 C205 L343 L346	L177-Y194 PolarHBondContact N-O 3.22Å; L178-Y194 HydrophobicContact CB-CD2 4.18Å; L178-Y194 HydrophobicContact CD2-CD2 4.17Å; L178-Y194 HydrophobicContact CD2-CE2 4.45Å; L178-Y194 HydrophobicContact CG-CD2 4.23Å; L178-Y194 PolarHBondContact N-O 2.82Å; L178-Y194 PolarHBondContact O-N 2.94Å; Q182-Y194 PolarHBondContact NE2-OH 3.42Å; A192-Y194 HydrophobicContact CB-CE2 3.81Å; Y194-K204 WeakPolarHBondContact CA-O 3.33Å; Y194-C205 HydrophobicContact CD1-CB 3.63Å; Y194-C205 HydrophobicContact CE1-CB 3.55Å; Y194-C205 WeakPolarHBondContact CE1-SG 3.47Å; Y194-C205 HydrophobicContact CG-CB 4.45Å; Y194-C205 VanDerWaalsContact CZ-SG 3.54Å; Y194-L343 HydrophobicContact CD1-CD2 3.92Å; Y194-L343 HydrophobicContact CD2-CD2 4.3Å; Y194-L343 HydrophobicContact CG-CD2 3.74Å; Y194-L346 HydrophobicContact CD1-CD1 4.43Å; Y194-L346 HydrophobicContact CD2-CD1 4.13Å; Y194-L346 HydrophobicContact CE1-CD1 3.84Å; Y194-L346 HydrophobicContact CE2-CD1 3.5Å; Y194-L346 VanDerWaalsContact CE2-CD1 3.5Å; Y194-L346 WeakPolarHBondContact OH-CD1 3.31Å
195	Y	92.7	Very high	84	Confident	14 Å²	14	70.9 Å²	70.9	6%	0.055	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.2	-173.5	66.1	-80.1	0	0	0	112	L171 N175 V193 H197 T203 K204 R206	L171-Y195 HydrophobicContact CD1-CD2 3.31Å; L171-Y195 HydrophobicContact CD1-CE2 3.9Å; L171-Y195 HydrophobicContact CD1-CG 3.71Å; L171-Y195 HydrophobicContact CD2-CD1 3.87Å; L171-Y195 HydrophobicContact CD2-CD2 4.05Å; L171-Y195 HydrophobicContact CD2-CE1 4.34Å; L171-Y195 HydrophobicContact CD2-CE2 4.46Å; L171-Y195 HydrophobicContact CD2-CG 3.72Å; L171-Y195 HydrophobicContact CG-CD2 4.33Å; L171-Y195 HydrophobicContact CG-CG 4.39Å; N175-Y195 CarbonylContact O-C 3.57Å; N175-Y195 VanDerWaalsContact O-CA 3.25Å; N175-Y195 WeakPolarHBondContact O-CA 3.15Å; N175-Y195 WeakPolarHBondContact O-CB 3.5Å; V193-Y195 HydrophobicContact CG1-CD1 4.36Å; Y195-H197 HydrophobicContact CE2-CB 4.44Å; Y195-T203 CarbonylContact O-C 3.57Å; Y195-T203 WeakPolarHBondContact O-CA 3.46Å; Y195-K204 HydrophobicContact CE1-CB 4.11Å; Y195-K204 HydrophobicContact CE2-CB 4.44Å; Y195-K204 PolarHBondContact N-O 3.46Å; Y195-K204 PolarHBondContact O-N 3.38Å; Y195-R206 HydrophobicContact CE1-CB 4Å
196	V	90.7	Very high	85	Confident	27 Å²	27	67.4 Å²	67.4	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.2	169.5	-176.2	0	0	0	0	108.7	N175 L177 P198	N175-V196 PolarHBondContact O-N 2.88Å; L177-V196 HydrophobicContact CD1-CG2 3.8Å; L177-V196 HydrophobicContact CD2-CG2 4.1Å; L177-V196 HydrophobicContact CG-CG2 4.1Å; V196-P198 WeakPolarHBondContact O-CD 3.4Å
197	H	86.2	Confident	85.8	Confident	28 Å²	28	62 Å²	62	13%	0.13	29%	0.288	C	S	.	.			trans	-64.6	124.1	-179.9	-169.4	-85.2	0	0	0	110.8	Y195 R199 H200 R201 K202 K204	Y195-H197 HydrophobicContact CE2-CB 4.44Å; H197-R199 PolarHBondContact ND1-N 3.11Å; H197-R199 PolarHBondContact O-N 3.41Å; H197-R199 VanDerWaalsContact O-N 3.07Å; H197-H200 HydrophobicContact CB-CB 4.26Å; H197-H200 AromaticContact CE1-CD2 3.24Å; H197-H200 PolarHBondContact CE1-CD2 2.68Å; H197-H200 AromaticContact CE1-NE2 3.79Å; H197-H200 AromaticContact CG-CD2 3.76Å; H197-H200 AromaticContact ND1-CD2 3.17Å; H197-H200 PolarHBondContact ND1-CD2 3.02Å; H197-H200 AromaticContact ND1-CG 3.77Å; H197-H200 PolarHBondContact ND1-N 2.98Å; H197-H200 AromaticContact NE2-CD2 3.82Å; H197-H200 PolarHBondContact O-N 2.85Å; H197-R201 PolarHBondContact O-N 2.83Å; H197-K202 PolarHBondContact N-O 2.95Å; H197-K204 HydrophobicContact CB-CD 4.14Å; H197-K204 HydrophobicContact CB-CG 4.23Å; H197-K204 PolarHBondContact CD2-NZ 2.88Å
198	P	81.2	Confident	86.7	Confident	66 Å²	66	58.6 Å²	58.6	43%	0.429	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.3	-173.1	-26.9	32.1	0	0	0	113.8	V196	V196-P198 WeakPolarHBondContact O-CD 3.4Å
199	R	83.3	Confident	87	Confident	222 Å²	222	58.3 Å²	58.3	84%	0.838	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-33.5	-177.4	-58.1	-177	-175.7	170.6	1.3	115.4	H197	H197-R199 PolarHBondContact ND1-N 3.11Å; H197-R199 PolarHBondContact O-N 3.41Å; H197-R199 VanDerWaalsContact O-N 3.07Å
200	H	81.9	Confident	86.9	Confident	114 Å²	114	56.9 Å²	56.9	53%	0.528	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-11	-171.3	-62.2	-65.9	0	0	0	112.5	H197 K202 K204	H197-H200 HydrophobicContact CB-CB 4.26Å; H197-H200 AromaticContact CE1-CD2 3.24Å; H197-H200 PolarHBondContact CE1-CD2 2.68Å; H197-H200 AromaticContact CE1-NE2 3.79Å; H197-H200 AromaticContact CG-CD2 3.76Å; H197-H200 AromaticContact ND1-CD2 3.17Å; H197-H200 PolarHBondContact ND1-CD2 3.02Å; H197-H200 AromaticContact ND1-CG 3.77Å; H197-H200 PolarHBondContact ND1-N 2.98Å; H197-H200 AromaticContact NE2-CD2 3.82Å; H197-H200 PolarHBondContact O-N 2.85Å; H200-K202 PolarHBondContact O-N 2.95Å; H200-K204 PolarHBondContact CD2-NZ 2.91Å
201	R	80.6	Confident	86.5	Confident	220 Å²	220	61.1 Å²	61.1	83%	0.83	28%	0.282	S	S	*	.			trans	53.8	11.4	-175	-58.9	-173.5	178.7	179.9	0.6	115.3	H197	H197-R201 PolarHBondContact O-N 2.83Å
202	K	85.6	Confident	86.1	Confident	156 Å²	156	64.2 Å²	64.2	68%	0.678	30%	0.299	S	S	*	.	S	Bend	trans	-90.7	145.5	173.3	-65.7	-175	-179.6	-176.8	0	110.4	H197 H200 K204	H197-K202 PolarHBondContact N-O 2.95Å; H200-K202 PolarHBondContact O-N 2.95Å; K202-K204 PolarHBondContact O-N 3.07Å
203	T	87.4	Confident	85.5	Confident	73 Å²	73	69.2 Å²	69.2	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	122.4	171.9	-56.7	0	0	0	0	109.6	L177 Y195	L177-T203 HydrophobicContact CD1-CG2 4.11Å; Y195-T203 CarbonylContact O-C 3.57Å; Y195-T203 WeakPolarHBondContact O-CA 3.46Å
204	K	89.7	Confident	85	Confident	82 Å²	82	76.2 Å²	76.2	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	165.7	174	-67.7	-163.6	-173.8	177.3	0	110.3	Y194 Y195 H197 H200 K202	Y194-K204 WeakPolarHBondContact CA-O 3.33Å; Y195-K204 HydrophobicContact CE1-CB 4.11Å; Y195-K204 HydrophobicContact CE2-CB 4.44Å; Y195-K204 PolarHBondContact N-O 3.46Å; Y195-K204 PolarHBondContact O-N 3.38Å; H197-K204 HydrophobicContact CB-CD 4.14Å; H197-K204 HydrophobicContact CB-CG 4.23Å; H197-K204 PolarHBondContact CD2-NZ 2.88Å; H200-K204 PolarHBondContact CD2-NZ 2.91Å; K202-K204 PolarHBondContact O-N 3.07Å
205	C	88.2	Confident	84.6	Confident	32 Å²	32	78.9 Å²	78.9	22%	0.216	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	174.7	-178.3	0	0	0	0	108.7	V193 Y194	V193-C205 WeakPolarHBondContact O-CA 3.29Å; Y194-C205 HydrophobicContact CD1-CB 3.63Å; Y194-C205 HydrophobicContact CE1-CB 3.55Å; Y194-C205 WeakPolarHBondContact CE1-SG 3.47Å; Y194-C205 HydrophobicContact CG-CB 4.45Å; Y194-C205 VanDerWaalsContact CZ-SG 3.54Å
206	R	87.5	Confident	84.3	Confident	59 Å²	59	78.2 Å²	78.2	22%	0.223	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.6	173.4	-167.6	178.9	-94.3	-127.1	-3.1	108.2	D169 V193 Y195 L208	D169-R206 IonicContact OD2-CZ 3.99Å; D169-R206 IonicContact OD2-NH2 3.79Å; D169-R206 PolarHBondContact OD2-NH2 3.14Å; V193-R206 PolarHBondContact N-O 2.95Å; V193-R206 PolarHBondContact O-N 3.37Å; Y195-R206 HydrophobicContact CE1-CB 4Å; R206-L208 HydrophobicContact CG-CD2 4.17Å; R206-L208 HydrophobicContact CG-CG 4.36Å
207	L	87.7	Confident	84.1	Confident	25 Å²	25	77.7 Å²	77.7	13%	0.131	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.6	-179.4	-52.4	-177.5	0	0	0	108.5	R137 Y190 A192	R137-L207 PolarHBondContact N-O 3.05Å; Y190-L207 HydrophobicContact CD2-CB 4.44Å; Y190-L207 HydrophobicContact CD2-CD2 4.02Å; Y190-L207 HydrophobicContact CE2-CD2 3.66Å; A192-L207 HydrophobicContact CB-CD2 4.25Å
208	L	87.3	Confident	84.2	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.8	-175.4	-60.1	167.3	0	0	0	108.3	L134 A136 F158 L191 V193 R206	L134-L208 HydrophobicContact CB-CD2 4.31Å; L134-L208 HydrophobicContact CD1-CD1 4.22Å; L134-L208 HydrophobicContact CD1-CD2 4.45Å; A136-L208 HydrophobicContact CB-CD2 3.89Å; F158-L208 HydrophobicContact CE1-CD1 4.12Å; F158-L208 HydrophobicContact CE1-CD2 4.04Å; F158-L208 HydrophobicContact CZ-CD1 4.18Å; L191-L208 HydrophobicContact CB-CB 4.14Å; L191-L208 WeakPolarHBondContact CB-O 2.93Å; L191-L208 HydrophobicContact CD2-CB 4.35Å; L191-L208 HydrophobicContact CD2-CD1 4.02Å; L191-L208 PolarHBondContact N-O 3.45Å; L191-L208 PolarHBondContact O-N 3.42Å; V193-L208 HydrophobicContact CG2-CD1 4.08Å; R206-L208 HydrophobicContact CG-CD2 4.17Å; R206-L208 HydrophobicContact CG-CG 4.36Å
209	C	82.6	Confident	84.7	Confident	16 Å²	16	74.4 Å²	74.4	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.4	172.8	-57.7	0	0	0	0	108.9	R135	R135-C209 HydrophobicContact CB-CB 4.1Å; R135-C209 PolarHBondContact N-O 3.26Å; R135-C209 PolarHBondContact O-N 3.1Å
210	V	80.7	Confident	85	Confident	13 Å²	13	63.8 Å²	63.8	8%	0.079	31%	0.307	C	S	.	.			trans	-121.2	132	176.2	-167.8	0	0	0	0	106.2	L134 N212 D215 L216	L134-V210 HydrophobicContact CD2-CG2 3.64Å; V210-N212 PolarHBondContact O-N 3.41Å; V210-D215 HydrophobicContact CG1-CB 3.6Å; V210-L216 HydrophobicContact CB-CB 4.07Å; V210-L216 HydrophobicContact CG2-CB 4.18Å; V210-L216 HydrophobicContact CG2-CG 4.42Å
211	D	75.9	Confident	85.4	Confident	121 Å²	121	59 Å²	59	65%	0.647	29%	0.286	S	S	*	.	S	Bend	trans	-69.2	-26.2	-172.2	-61.5	-36.2	0	0	0	112.2	R135	R135-D211 IonicContact CZ-OD1 2.72Å; R135-D211 IonicContact NE-OD1 3.84Å; R135-D211 PolarHBondContact NE-OD1 3.37Å; R135-D211 IonicContact NH2-OD1 3.26Å; R135-D211 PolarHBondContact NH2-OD1 3.04Å
212	N	81.3	Confident	85.8	Confident	64 Å²	64	52 Å²	52	34%	0.342	26%	0.262	S	S	.	.			trans	-111.3	131.7	176.6	-176.1	-2.1	0	0	0	111.3	V210 Q214 D215 L216	V210-N212 PolarHBondContact O-N 3.41Å; N212-Q214 VanDerWaalsContact C-N 3.32Å; N212-Q214 PolarHBondContact O-N 3.45Å; N212-Q214 PolarHBondContact OD1-N 3.41Å; N212-D215 HydrophobicContact CB-CB 4.16Å; N212-D215 WeakPolarHBondContact CB-OD2 3.36Å; N212-D215 PolarHBondContact O-N 2.86Å; N212-L216 PolarHBondContact O-N 3.48Å
213	E	78.5	Confident	85.9	Confident	106 Å²	106	44.6 Å²	44.6	50%	0.495	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-31.8	177.5	-172.8	174.9	171.5	0	0	112.9	K181 L216 S217	K181-E213 IonicContact NZ-OE1 3.22Å; K181-E213 PolarHBondContact NZ-OE1 2.93Å; E213-L216 WeakPolarHBondContact O-CB 3.49Å; E213-L216 PolarHBondContact O-N 3.23Å; E213-S217 WeakPolarHBondContact O-CB 3.33Å; E213-S217 PolarHBondContact O-N 3.08Å; E213-S217 PolarHBondContact O-OG 3.14Å
214	Q	82.9	Confident	85.9	Confident	149 Å²	149	41.1 Å²	41.1	70%	0.696	21%	0.208	S	C	*	.	H	α-helix	trans	-64.5	-44.1	174	-65.9	-178.9	-10.4	0	0	110.8	N212 S217 A218	N212-Q214 VanDerWaalsContact C-N 3.32Å; N212-Q214 PolarHBondContact O-N 3.45Å; N212-Q214 PolarHBondContact OD1-N 3.41Å; Q214-S217 PolarHBondContact O-N 2.77Å; Q214-A218 PolarHBondContact O-N 2.56Å
215	D	84.9	Confident	85.6	Confident	69 Å²	69	40.3 Å²	40.3	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-66.6	-39.1	177.5	-66.7	-20.9	0	0	0	111.3	V210 N212 S217 A218 W219	V210-D215 HydrophobicContact CG1-CB 3.6Å; N212-D215 HydrophobicContact CB-CB 4.16Å; N212-D215 WeakPolarHBondContact CB-OD2 3.36Å; N212-D215 PolarHBondContact O-N 2.86Å; D215-S217 PolarHBondContact O-N 3.03Å; D215-A218 WeakPolarHBondContact O-CB 3.33Å; D215-A218 PolarHBondContact O-N 3.05Å; D215-W219 PolarHBondContact O-N 3.41Å
216	L	86.4	Confident	85.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.7	-45	172.6	-173.2	153.8	0	0	0	110.9	K181 P189 L191 V210 N212 E213 W219 I220	K181-L216 HydrophobicContact CB-CD2 3.8Å; K181-L216 HydrophobicContact CD-CD2 3.8Å; K181-L216 HydrophobicContact CG-CD2 3.6Å; P189-L216 HydrophobicContact CB-CD1 4.12Å; L191-L216 HydrophobicContact CB-CG 4.43Å; V210-L216 HydrophobicContact CB-CB 4.07Å; V210-L216 HydrophobicContact CG2-CB 4.18Å; V210-L216 HydrophobicContact CG2-CG 4.42Å; N212-L216 PolarHBondContact O-N 3.48Å; E213-L216 WeakPolarHBondContact O-CB 3.49Å; E213-L216 PolarHBondContact O-N 3.23Å; L216-W219 WeakPolarHBondContact O-CB 3.49Å; L216-W219 PolarHBondContact O-N 3.38Å; L216-I220 HydrophobicContact CD2-CD1 3.61Å; L216-I220 HydrophobicContact CD2-CG1 4.38Å; L216-I220 WeakPolarHBondContact O-CG1 3.44Å; L216-I220 PolarHBondContact O-N 3.46Å; L216-I220 VanDerWaalsContact O-N 3.1Å
217	S	87	Confident	85.3	Confident	15 Å²	15	37.4 Å²	37.4	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-72	-34.3	-178	-50.5	0	0	0	0	111.6	E213 Q214 D215 T221	E213-S217 WeakPolarHBondContact O-CB 3.33Å; E213-S217 PolarHBondContact O-N 3.08Å; E213-S217 PolarHBondContact O-OG 3.14Å; Q214-S217 PolarHBondContact O-N 2.77Å; D215-S217 PolarHBondContact O-N 3.03Å; S217-T221 WeakPolarHBondContact O-CB 3.28Å; S217-T221 PolarHBondContact O-N 3.41Å; S217-T221 PolarHBondContact O-OG1 2.9Å
218	A	88.6	Confident	84.8	Confident	23 Å²	23	37.1 Å²	37.1	19%	0.19	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-46.7	169.5	0	0	0	0	0	111.4	F130 Q214 D215 I220 T221 F222	F130-A218 HydrophobicContact CE1-CB 3.94Å; F130-A218 HydrophobicContact CE2-CB 4.08Å; F130-A218 HydrophobicContact CZ-CB 3.56Å; Q214-A218 PolarHBondContact O-N 2.56Å; D215-A218 WeakPolarHBondContact O-CB 3.33Å; D215-A218 PolarHBondContact O-N 3.05Å; A218-I220 PolarHBondContact O-N 3.42Å; A218-T221 PolarHBondContact O-N 2.98Å; A218-T221 VanDerWaalsContact O-N 3.14Å; A218-F222 HydrophobicContact CB-CD2 4.17Å; A218-F222 HydrophobicContact CB-CE2 4.07Å; A218-F222 WeakPolarHBondContact O-CD2 3.48Å; A218-F222 PolarHBondContact O-N 3.24Å
219	W	90.5	Very high	84.1	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-55.3	-47.9	175.2	-84.3	111.2	0	0	0	112.1	F130 L134 L151 L156 L191 D215 L216 T221 I223	F130-W219 AromaticContact CD1-CD2 3.51Å; F130-W219 HydrophobicContact CD1-CD2 3.51Å; F130-W219 AromaticContact CD1-CE2 3.54Å; F130-W219 AromaticContact CD1-CE3 3.82Å; F130-W219 HydrophobicContact CD1-CE3 3.82Å; F130-W219 AromaticContact CD1-CG 3.92Å; F130-W219 HydrophobicContact CD1-CG 3.92Å; F130-W219 HydrophobicContact CD1-CH2 4.17Å; F130-W219 AromaticContact CD1-CZ2 3.9Å; F130-W219 HydrophobicContact CD1-CZ2 3.9Å; F130-W219 HydrophobicContact CD1-CZ3 4.14Å; F130-W219 AromaticContact CD1-NE1 3.92Å; F130-W219 AromaticContact CE1-CD1 3.64Å; F130-W219 AromaticContact CE1-CD2 3.81Å; F130-W219 HydrophobicContact CE1-CD2 3.81Å; F130-W219 AromaticContact CE1-CE2 3.66Å; F130-W219 AromaticContact CE1-CG 3.79Å; F130-W219 HydrophobicContact CE1-CG 3.79Å; F130-W219 HydrophobicContact CE1-CZ2 4.3Å; F130-W219 AromaticContact CE1-NE1 3.52Å; L134-W219 HydrophobicContact CD1-CH2 4.31Å; L134-W219 HydrophobicContact CD1-CZ2 4.04Å; L134-W219 HydrophobicContact CD2-CD2 4.45Å; L134-W219 HydrophobicContact CD2-CZ2 4.21Å; L134-W219 HydrophobicContact CG-CZ2 4.22Å; L151-W219 HydrophobicContact CB-CZ3 3.96Å; L156-W219 HydrophobicContact CD1-CE3 4.38Å; L156-W219 HydrophobicContact CD1-CH2 4.25Å; L156-W219 HydrophobicContact CD1-CZ3 3.58Å; L191-W219 HydrophobicContact CD2-CB 3.91Å; L191-W219 HydrophobicContact CD2-CG 4.39Å; D215-W219 PolarHBondContact O-N 3.41Å; L216-W219 WeakPolarHBondContact O-CB 3.49Å; L216-W219 PolarHBondContact O-N 3.38Å; W219-T221 VanDerWaalsContact C-N 3.31Å; W219-T221 PolarHBondContact O-N 3.35Å; W219-I223 HydrophobicContact CE3-CD1 4.01Å; W219-I223 HydrophobicContact CE3-CG1 4.26Å; W219-I223 VanDerWaalsContact O-CB 3.26Å; W219-I223 WeakPolarHBondContact O-CB 3.28Å; W219-I223 WeakPolarHBondContact O-CD1 3.38Å; W219-I223 WeakPolarHBondContact O-CG1 3.34Å; W219-I223 PolarHBondContact O-N 3.33Å
220	I	90.2	Very high	83.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-46.3	177.1	-63.2	171.9	0	0	0	110.5	V179 K181 L191 L216 A218 G224 L239 V242	V179-I220 HydrophobicContact CG1-CG1 4.09Å; V179-I220 HydrophobicContact CG1-CG2 4.47Å; K181-I220 HydrophobicContact CB-CD1 3.67Å; L191-I220 HydrophobicContact CD1-CD1 4.04Å; L191-I220 HydrophobicContact CD1-CG1 3.3Å; L216-I220 HydrophobicContact CD2-CD1 3.61Å; L216-I220 HydrophobicContact CD2-CG1 4.38Å; L216-I220 WeakPolarHBondContact O-CG1 3.44Å; L216-I220 PolarHBondContact O-N 3.46Å; L216-I220 VanDerWaalsContact O-N 3.1Å; A218-I220 PolarHBondContact O-N 3.42Å; I220-G224 WeakPolarHBondContact O-CA 3.32Å; I220-G224 PolarHBondContact O-N 2.9Å; I220-L239 HydrophobicContact CG2-CB 4.26Å; I220-L239 WeakPolarHBondContact CG2-O 3.42Å; I220-V242 HydrophobicContact CG2-CG1 4.27Å; I220-V242 HydrophobicContact CG2-CG2 4.13Å
221	T	89.4	Confident	83.2	Confident	13 Å²	13	46.5 Å²	46.5	8%	0.08	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-49.2	-176.9	-56.9	0	0	0	0	111.3	S217 A218 W219 G224 K225 G237 L239	S217-T221 WeakPolarHBondContact O-CB 3.28Å; S217-T221 PolarHBondContact O-N 3.41Å; S217-T221 PolarHBondContact O-OG1 2.9Å; A218-T221 PolarHBondContact O-N 2.98Å; A218-T221 VanDerWaalsContact O-N 3.14Å; W219-T221 VanDerWaalsContact C-N 3.31Å; W219-T221 PolarHBondContact O-N 3.35Å; T221-G224 PolarHBondContact O-N 2.84Å; T221-K225 WeakPolarHBondContact O-CG 3.43Å; T221-K225 PolarHBondContact O-N 2.98Å; T221-G237 WeakPolarHBondContact CG2-O 3.5Å; T221-L239 HydrophobicContact CG2-CD1 4.4Å; T221-L239 HydrophobicContact CG2-CG 4.21Å; T221-L239 PolarHBondContact OG1-N 3.4Å
222	F	88.8	Confident	83.3	Confident	74 Å²	74	40.8 Å²	40.8	33%	0.325	20%	0.203	S	C	.	.	H	α-helix	trans	-71.5	-41.2	-178.5	-69.9	-62.1	0	0	0	112.7	F130 L151 A218 G224 K225 S226	F130-F222 HydrophobicContact CB-CB 4.24Å; F130-F222 HydrophobicContact CB-CD2 3.92Å; F130-F222 HydrophobicContact CB-CG 4.21Å; F130-F222 HydrophobicContact CD1-CD2 4.22Å; F130-F222 AromaticContact CD2-CD2 3.64Å; F130-F222 HydrophobicContact CD2-CD2 3.64Å; F130-F222 AromaticContact CD2-CE2 3.62Å; F130-F222 HydrophobicContact CD2-CE2 3.62Å; F130-F222 HydrophobicContact CE2-CD2 4.21Å; F130-F222 AromaticContact CE2-CE2 3.96Å; F130-F222 HydrophobicContact CE2-CE2 3.96Å; F130-F222 AromaticContact CG-CD2 3.67Å; F130-F222 HydrophobicContact CG-CD2 3.67Å; F130-F222 HydrophobicContact CG-CE2 4.16Å; F130-F222 HydrophobicContact CG-CG 4.45Å; L151-F222 VanDerWaalsContact CD2-C 3.5Å; L151-F222 HydrophobicContact CD2-CB 3.73Å; A218-F222 HydrophobicContact CB-CD2 4.17Å; A218-F222 HydrophobicContact CB-CE2 4.07Å; A218-F222 WeakPolarHBondContact O-CD2 3.48Å; A218-F222 PolarHBondContact O-N 3.24Å; F222-G224 VanDerWaalsContact C-N 3.27Å; F222-G224 PolarHBondContact O-N 2.92Å; F222-K225 PolarHBondContact O-N 3.37Å; F222-S226 PolarHBondContact O-N 3.35Å; F222-S226 PolarHBondContact O-OG 3.11Å
223	I	89.1	Confident	83	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-44.1	171.9	-65.2	167.1	0	0	0	109.2	L151 L156 I176 V179 L191 W219 K225 S226 T227	L151-I223 HydrophobicContact CD2-CG1 4.1Å; L156-I223 HydrophobicContact CD2-CD1 4.11Å; I176-I223 HydrophobicContact CD1-CG2 3.54Å; V179-I223 HydrophobicContact CG2-CG2 3.81Å; L191-I223 HydrophobicContact CD2-CD1 4.19Å; W219-I223 HydrophobicContact CE3-CD1 4.01Å; W219-I223 HydrophobicContact CE3-CG1 4.26Å; W219-I223 VanDerWaalsContact O-CB 3.26Å; W219-I223 WeakPolarHBondContact O-CB 3.28Å; W219-I223 WeakPolarHBondContact O-CD1 3.38Å; W219-I223 WeakPolarHBondContact O-CG1 3.34Å; W219-I223 PolarHBondContact O-N 3.33Å; I223-K225 PolarHBondContact O-N 3.49Å; I223-S226 CarbonylContact O-C 3.55Å; I223-S226 PolarHBondContact O-N 3.03Å; I223-S226 VanDerWaalsContact O-N 3.11Å; I223-T227 HydrophobicContact CG2-CG2 4.1Å; I223-T227 WeakPolarHBondContact O-CG2 3.39Å; I223-T227 PolarHBondContact O-N 3.46Å; I223-T227 PolarHBondContact O-OG1 3.17Å
224	G	86.4	Confident	82.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-51.9	-55.1	174.1	0	0	0	0	0	112.4	I220 T221 F222 S226 T227 F228	I220-G224 WeakPolarHBondContact O-CA 3.32Å; I220-G224 PolarHBondContact O-N 2.9Å; T221-G224 PolarHBondContact O-N 2.84Å; F222-G224 VanDerWaalsContact C-N 3.27Å; F222-G224 PolarHBondContact O-N 2.92Å; G224-S226 PolarHBondContact O-N 3.16Å; G224-T227 WeakPolarHBondContact CA-OG1 3.41Å; G224-T227 CarbonylContact O-C 3.6Å; G224-T227 WeakPolarHBondContact O-CA 3.13Å; G224-T227 PolarHBondContact O-N 3.49Å; G224-T227 PolarHBondContact O-OG1 2.92Å; G224-F228 VanDerWaalsContact C-CD2 3.46Å; G224-F228 WeakPolarHBondContact O-CD2 3.46Å; G224-F228 WeakPolarHBondContact O-CG 3.46Å; G224-F228 PolarHBondContact O-N 3.47Å
225	K	84.4	Confident	82.8	Confident	64 Å²	64	31.2 Å²	31.2	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-57.8	-32.3	177.3	-71.4	-172.5	176.8	-159.5	0	113.4	T221 F222 I223 F228 L235 D236	T221-K225 WeakPolarHBondContact O-CG 3.43Å; T221-K225 PolarHBondContact O-N 2.98Å; F222-K225 PolarHBondContact O-N 3.37Å; I223-K225 PolarHBondContact O-N 3.49Å; K225-F228 HydrophobicContact CG-CD2 4.46Å; K225-L235 WeakPolarHBondContact CE-O 3.25Å; K225-L235 PolarHBondContact NZ-O 2.99Å; K225-D236 IonicContact NZ-OD1 2.69Å
226	S	85.7	Confident	82.6	Confident	18 Å²	18	32.5 Å²	32.5	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-78.8	-14	173	-65.3	0	0	0	0	114.5	N154 F222 I223 G224	N154-S226 WeakPolarHBondContact OD1-CB 3.04Å; N154-S226 PolarHBondContact OD1-OG 3.02Å; F222-S226 PolarHBondContact O-N 3.35Å; F222-S226 PolarHBondContact O-OG 3.11Å; I223-S226 CarbonylContact O-C 3.55Å; I223-S226 PolarHBondContact O-N 3.03Å; I223-S226 VanDerWaalsContact O-N 3.11Å; G224-S226 PolarHBondContact O-N 3.16Å
227	T	82.5	Confident	82.5	Confident	12 Å²	12	34.6 Å²	34.6	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-101	-21	178.9	63	0	0	0	0	114.2	C173 I176 I223 G224	C173-T227 HydrophobicContact CB-CG2 3.89Å; C173-T227 WeakPolarHBondContact O-CG2 3.41Å; I176-T227 HydrophobicContact CB-CG2 3.91Å; I176-T227 HydrophobicContact CD1-CG2 4.15Å; I176-T227 HydrophobicContact CG2-CG2 4.16Å; I223-T227 HydrophobicContact CG2-CG2 4.1Å; I223-T227 WeakPolarHBondContact O-CG2 3.39Å; I223-T227 PolarHBondContact O-N 3.46Å; I223-T227 PolarHBondContact O-OG1 3.17Å; G224-T227 WeakPolarHBondContact CA-OG1 3.41Å; G224-T227 CarbonylContact O-C 3.6Å; G224-T227 WeakPolarHBondContact O-CA 3.13Å; G224-T227 PolarHBondContact O-N 3.49Å; G224-T227 PolarHBondContact O-OG1 2.92Å
228	F	78.6	Confident	82.5	Confident	19 Å²	19	39.3 Å²	39.3	8%	0.083	21%	0.213	C	C	.	.	S	Bend	trans	-70.3	150.7	-173.3	-74.9	-29.3	0	0	0	113.2	G224 K225 M232 L239 V242 A261	G224-F228 VanDerWaalsContact C-CD2 3.46Å; G224-F228 WeakPolarHBondContact O-CD2 3.46Å; G224-F228 WeakPolarHBondContact O-CG 3.46Å; G224-F228 PolarHBondContact O-N 3.47Å; K225-F228 HydrophobicContact CG-CD2 4.46Å; F228-M232 HydrophobicContact CB-CB 3.63Å; F228-M232 HydrophobicContact CD1-CB 3.69Å; F228-M232 HydrophobicContact CD1-CE 4.36Å; F228-M232 HydrophobicContact CD1-CG 4.45Å; F228-M232 HydrophobicContact CD2-CB 3.81Å; F228-M232 VanDerWaalsContact CD2-O 3.29Å; F228-M232 WeakPolarHBondContact CD2-O 3.41Å; F228-M232 HydrophobicContact CE1-CB 4.31Å; F228-M232 HydrophobicContact CE1-CE 3.89Å; F228-M232 HydrophobicContact CE2-CB 4.42Å; F228-M232 HydrophobicContact CG-CB 3.43Å; F228-M232 VanDerWaalsContact CG-CB 3.43Å; F228-M232 HydrophobicContact CZ-CE 4.05Å; F228-L239 HydrophobicContact CE2-CD1 3.74Å; F228-L239 HydrophobicContact CZ-CD1 3.78Å; F228-V242 HydrophobicContact CE1-CB 3.99Å; F228-V242 HydrophobicContact CE1-CG1 4.09Å; F228-V242 HydrophobicContact CE2-CG1 4.45Å; F228-V242 HydrophobicContact CZ-CB 3.93Å; F228-V242 HydrophobicContact CZ-CG1 3.51Å; F228-A261 HydrophobicContact CE1-CB 4.21Å; F228-A261 HydrophobicContact CZ-CB 3.73Å
229	D	70.9	Confident	82.5	Confident	46 Å²	46	38.2 Å²	38.2	25%	0.246	20%	0.204	C	C	.	.			trans	-68.4	164.7	160.5	-55.2	-53.4	0	0	0	109.7	E231 M232 S233 S259	D229-E231 PolarHBondContact O-N 3.43Å; D229-M232 PolarHBondContact O-N 3.28Å; D229-S233 PolarHBondContact O-N 3.25Å; D229-S233 PolarHBondContact O-OG 2.93Å; D229-S259 PolarHBondContact OD2-OG 3.13Å
230	Q	72.6	Confident	82.5	Confident	152 Å²	152	40.1 Å²	40.1	71%	0.71	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.5	-171.4	-170.5	175.1	5.4	0	0	113.7
231	E	73.3	Confident	82.7	Confident	30 Å²	30	40.2 Å²	40.2	14%	0.14	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.9	-178.9	-62	73.4	-159.7	0	0	113.2	R13 D229 S233 M277	R13-E231 IonicContact CZ-OE1 2.64Å; R13-E231 IonicContact NH2-OE1 3.47Å; R13-E231 PolarHBondContact NH2-OE1 2.89Å; D229-E231 PolarHBondContact O-N 3.43Å; E231-S233 VanDerWaalsContact C-N 3.33Å; E231-M277 VanDerWaalsContact O-CE 3.29Å; E231-M277 WeakPolarHBondContact O-CE 3.42Å
232	M	78.4	Confident	82.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-80.5	-18.2	-176.6	-74.9	-73.9	-67.3	0	0	112.2	F228 D229 E234 L235 A261 S270 M277	F228-M232 HydrophobicContact CB-CB 3.63Å; F228-M232 HydrophobicContact CD1-CB 3.69Å; F228-M232 HydrophobicContact CD1-CE 4.36Å; F228-M232 HydrophobicContact CD1-CG 4.45Å; F228-M232 HydrophobicContact CD2-CB 3.81Å; F228-M232 VanDerWaalsContact CD2-O 3.29Å; F228-M232 WeakPolarHBondContact CD2-O 3.41Å; F228-M232 HydrophobicContact CE1-CB 4.31Å; F228-M232 HydrophobicContact CE1-CE 3.89Å; F228-M232 HydrophobicContact CE2-CB 4.42Å; F228-M232 HydrophobicContact CG-CB 3.43Å; F228-M232 VanDerWaalsContact CG-CB 3.43Å; F228-M232 HydrophobicContact CZ-CE 4.05Å; D229-M232 PolarHBondContact O-N 3.28Å; M232-E234 PolarHBondContact O-N 2.96Å; M232-L235 HydrophobicContact CE-CD2 4.2Å; M232-L235 WeakPolarHBondContact O-CB 3.42Å; M232-L235 PolarHBondContact O-N 3.37Å; M232-L235 VanDerWaalsContact O-N 3.08Å; M232-A261 HydrophobicContact CE-CB 3.43Å; M232-A261 VanDerWaalsContact CE-CB 3.43Å; M232-S270 WeakPolarHBondContact CG-OG 3.41Å; M232-M277 HydrophobicContact SD-CE 3.84Å; M232-M277 HydrophobicContact SD-CG 3.68Å; M232-M277 HydrophobicContact SD-SD 3.73Å
233	S	73.4	Confident	83.2	Confident	47 Å²	47	36.3 Å²	36.3	33%	0.329	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-67	-22.5	174.8	-61.7	0	0	0	0	113.6	D229 E231 L235	D229-S233 PolarHBondContact O-N 3.25Å; D229-S233 PolarHBondContact O-OG 2.93Å; E231-S233 VanDerWaalsContact C-N 3.33Å; S233-L235 PolarHBondContact O-N 3.16Å
234	E	76.4	Confident	83.3	Confident	63 Å²	63	39.7 Å²	39.7	29%	0.294	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-75.4	-7	172.4	-66.3	-170.7	177.4	0	0	112.9	L14 S15 M232 D236	L14-E234 HydrophobicContact CD1-CB 4.38Å; L14-E234 PolarHBondContact N-OE2 3.19Å; S15-E234 PolarHBondContact OG-OE1 3.47Å; M232-E234 PolarHBondContact O-N 2.96Å; E234-D236 PolarHBondContact O-N 2.88Å
235	L	81.7	Confident	83.7	Confident	9 Å²	9	40 Å²	40	5%	0.047	22%	0.215	C	C	.	.			trans	-69.9	116.5	178.9	-172.9	59.9	0	0	0	110.9	K225 M232 S233 L239 A261 Y268 M277	K225-L235 WeakPolarHBondContact CE-O 3.25Å; K225-L235 PolarHBondContact NZ-O 2.99Å; M232-L235 HydrophobicContact CE-CD2 4.2Å; M232-L235 WeakPolarHBondContact O-CB 3.42Å; M232-L235 PolarHBondContact O-N 3.37Å; M232-L235 VanDerWaalsContact O-N 3.08Å; S233-L235 PolarHBondContact O-N 3.16Å; L235-L239 HydrophobicContact CD2-CD1 4.47Å; L235-L239 HydrophobicContact CD2-CD2 3.7Å; L235-L239 HydrophobicContact CG-CD2 4.22Å; L235-A261 HydrophobicContact CD2-CB 3.73Å; L235-Y268 HydrophobicContact CD1-CD1 4.35Å; L235-Y268 HydrophobicContact CD1-CD2 4.47Å; L235-Y268 HydrophobicContact CD1-CG 4.28Å; L235-Y268 HydrophobicContact CD2-CD2 4.26Å; L235-Y268 HydrophobicContact CD2-CG 4.23Å; L235-M277 HydrophobicContact CB-CE 4.01Å; L235-M277 HydrophobicContact CB-SD 4.43Å; L235-M277 HydrophobicContact CD1-CE 4.44Å; L235-M277 HydrophobicContact CD1-SD 3.93Å; L235-M277 HydrophobicContact CD2-SD 4.48Å
236	D	81.4	Confident	84.1	Confident	96 Å²	96	38.9 Å²	38.9	51%	0.513	21%	0.209	S	C	.	.			trans	-93.4	159.6	175	-72.4	-35.2	0	0	0	113.1	K225 E234 R263	K225-D236 IonicContact NZ-OD1 2.69Å; E234-D236 PolarHBondContact O-N 2.88Å; D236-R263 PolarHBondContact O-NH1 3.01Å
237	G	83.4	Confident	84.4	Confident	43 Å²	43	38 Å²	38	44%	0.443	20%	0.203	S	C	.	.	S	Bend	trans	97.4	179.8	179.3	0	0	0	0	0	113.9	T221	T221-G237 WeakPolarHBondContact CG2-O 3.5Å
238	I	86.8	Confident	84.8	Confident	114 Å²	114	38.2 Å²	38.2	59%	0.585	20%	0.203	S	C	*	.			trans	-84.7	126.2	-176.1	-65.1	168.9	0	0	0	109.6	R263	I238-R263 WeakPolarHBondContact O-CG 3.48Å
239	L	89.7	Confident	85.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.216	C	C	.	.			trans	-100.4	138.9	-179.5	-53.2	-178.6	0	0	0	111.2	I220 T221 F228 L235 V242 A261 R263	I220-L239 HydrophobicContact CG2-CB 4.26Å; I220-L239 WeakPolarHBondContact CG2-O 3.42Å; T221-L239 HydrophobicContact CG2-CD1 4.4Å; T221-L239 HydrophobicContact CG2-CG 4.21Å; T221-L239 PolarHBondContact OG1-N 3.4Å; F228-L239 HydrophobicContact CE2-CD1 3.74Å; F228-L239 HydrophobicContact CZ-CD1 3.78Å; L235-L239 HydrophobicContact CD2-CD1 4.47Å; L235-L239 HydrophobicContact CD2-CD2 3.7Å; L235-L239 HydrophobicContact CG-CD2 4.22Å; L239-V242 HydrophobicContact CB-CG1 3.92Å; L239-V242 HydrophobicContact CD1-CG1 3.5Å; L239-V242 VanDerWaalsContact CD1-CG1 3.5Å; L239-V242 HydrophobicContact CG-CG1 4.33Å; L239-A261 HydrophobicContact CD1-CB 4.29Å; L239-A261 HydrophobicContact CD2-CB 4.33Å; L239-R263 HydrophobicContact CD2-CB 3.94Å
240	D	90.1	Very high	85.8	Confident	42 Å²	42	39.8 Å²	39.8	23%	0.225	22%	0.215	C	C	.	.	S	Bend	trans	-94.2	-29.7	179.7	-60.4	-77.9	0	0	0	112.8	K181 K262 G264	K181-D240 PolarHBondContact N-O 3.46Å; K181-D240 VanDerWaalsContact N-O 3.13Å; D240-K262 HydrophobicContact CB-CB 4.32Å; D240-K262 HydrophobicContact CB-CD 3.82Å; D240-K262 HydrophobicContact CB-CG 3.99Å; D240-K262 PolarHBondContact N-O 3.22Å; D240-K262 IonicContact OD1-NZ 3.42Å; D240-K262 IonicContact OD2-NZ 2.67Å; D240-K262 PolarHBondContact OD2-NZ 3.44Å; D240-G264 PolarHBondContact OD2-N 3.3Å
241	A	94.2	Very high	85.8	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	147.6	176	0	0	0	0	0	110.4	V179 A261 K262 W347 I350	V179-A241 CarbonylContact O-C 3.56Å; V179-A241 WeakPolarHBondContact O-CA 3.29Å; A241-A261 CarbonylContact O-C 3.54Å; A241-A261 VanDerWaalsContact O-CA 3.31Å; A241-A261 WeakPolarHBondContact O-CA 3.46Å; A241-K262 HydrophobicContact CB-CB 4.17Å; A241-K262 PolarHBondContact O-N 3.38Å; A241-W347 HydrophobicContact CB-CZ3 4.47Å; A241-I350 HydrophobicContact CB-CD1 3.72Å
242	V	94.2	Very high	85.9	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142.5	-178.6	-62.8	0	0	0	0	109.8	L178 V179 I220 F228 L239 L260 A261	L178-V242 CarbonylContact C-O 3.58Å; L178-V242 WeakPolarHBondContact CA-O 3.4Å; L178-V242 WeakPolarHBondContact CD1-O 3.4Å; V179-V242 HydrophobicContact CB-CG2 3.73Å; V179-V242 HydrophobicContact CG2-CG2 4.21Å; V179-V242 PolarHBondContact N-O 3.49Å; V179-V242 PolarHBondContact O-N 3.49Å; I220-V242 HydrophobicContact CG2-CG1 4.27Å; I220-V242 HydrophobicContact CG2-CG2 4.13Å; F228-V242 HydrophobicContact CE1-CB 3.99Å; F228-V242 HydrophobicContact CE1-CG1 4.09Å; F228-V242 HydrophobicContact CE2-CG1 4.45Å; F228-V242 HydrophobicContact CZ-CB 3.93Å; F228-V242 HydrophobicContact CZ-CG1 3.51Å; L239-V242 HydrophobicContact CB-CG1 3.92Å; L239-V242 HydrophobicContact CD1-CG1 3.5Å; L239-V242 VanDerWaalsContact CD1-CG1 3.5Å; L239-V242 HydrophobicContact CG-CG1 4.33Å; V242-L260 CarbonylContact C-O 3.56Å; V242-L260 WeakPolarHBondContact CA-O 3.42Å; V242-A261 HydrophobicContact CG1-CB 4.12Å
243	G	93.6	Very high	86.2	Confident	4 Å²	4	44 Å²	44	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-176.2	178.3	0	0	0	0	0	114.7	L177 L260	L177-G243 CarbonylContact O-C 3.6Å; L177-G243 WeakPolarHBondContact O-CA 3.07Å; G243-L260 PolarHBondContact N-O 3.25Å; G243-L260 PolarHBondContact O-N 3.36Å
244	K	92.1	Very high	86.9	Confident	71 Å²	71	50.8 Å²	50.8	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.5	-177.4	-62.2	175.3	-177.3	174.4	0	109.9	A174 L177	A174-K244 PolarHBondContact O-NZ 3.41Å; A174-K244 VanDerWaalsContact O-NZ 3.09Å; L177-K244 PolarHBondContact O-N 3.05Å
245	A	93.8	Very high	87.5	Confident	5 Å²	5	49 Å²	49	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-177.4	171	0	0	0	0	0	110.6	A258 L260 L336 A338	A245-A258 PolarHBondContact N-O 3.09Å; A245-A258 PolarHBondContact O-N 3.39Å; A245-L260 HydrophobicContact CB-CD1 3.45Å; A245-L260 VanDerWaalsContact CB-CD1 3.45Å; A245-L336 HydrophobicContact CB-CD2 4.18Å; A245-L336 HydrophobicContact CB-CG 4.33Å; A245-A338 HydrophobicContact CB-CB 4.28Å
246	Y	93.3	Very high	88	Confident	42 Å²	42	50.1 Å²	50.1	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140	169.9	-54.9	-81.9	0	0	0	109.2	T256 C315 L317 L336 Q337 D339	Y246-T256 CarbonylContact C-O 3.5Å; Y246-T256 VanDerWaalsContact CA-O 3.26Å; Y246-T256 WeakPolarHBondContact CA-O 3.23Å; Y246-C315 WeakPolarHBondContact CB-SG 3.48Å; Y246-C315 VanDerWaalsContact CG-SG 3.59Å; Y246-L317 HydrophobicContact CD1-CB 3.81Å; Y246-L317 HydrophobicContact CD1-CD1 3.93Å; Y246-L317 HydrophobicContact CE1-CB 3.56Å; Y246-L317 HydrophobicContact CE1-CD1 4.13Å; Y246-L317 HydrophobicContact CG-CB 4.44Å; Y246-L317 PolarHBondContact OH-O 3.34Å; Y246-L336 WeakPolarHBondContact O-CA 3.46Å; Y246-Q337 WeakPolarHBondContact CA-O 3.28Å; Y246-Q337 WeakPolarHBondContact CB-O 3.33Å; Y246-Q337 WeakPolarHBondContact CD2-O 3.36Å; Y246-Q337 PolarHBondContact N-O 2.99Å; Y246-Q337 PolarHBondContact O-N 3.17Å; Y246-D339 WeakPolarHBondContact CE2-OD1 3.39Å; Y246-D339 PolarHBondContact OH-OD1 3.48Å
247	I	92.8	Very high	88.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	156	177.4	70.3	175.2	0	0	0	111.4	W255 T256 A258 Y269 T271 L334 C335	I247-W255 WeakPolarHBondContact O-CA 3.49Å; I247-T256 PolarHBondContact N-O 2.93Å; I247-T256 PolarHBondContact O-N 2.81Å; I247-A258 HydrophobicContact CB-CB 4.45Å; I247-A258 HydrophobicContact CD1-CB 3.89Å; I247-A258 HydrophobicContact CG1-CB 3.89Å; I247-A258 HydrophobicContact CG2-CB 3.9Å; I247-Y269 HydrophobicContact CD1-CD2 3.23Å; I247-Y269 HydrophobicContact CD1-CE2 3.3Å; I247-Y269 HydrophobicContact CD1-CG 4.15Å; I247-T271 HydrophobicContact CD1-CG2 3.39Å; I247-T271 HydrophobicContact CG1-CG2 3.88Å; I247-L334 HydrophobicContact CB-CD1 4.14Å; I247-L334 HydrophobicContact CD1-CD1 4.32Å; I247-C335 CarbonylContact C-O 3.55Å; I247-C335 WeakPolarHBondContact CA-O 3.46Å
248	K	89.7	Confident	88.9	Confident	15 Å²	15	45.4 Å²	45.4	7%	0.065	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	121.5	171.1	164	176.2	172.8	180	0	108.6	G250 S251 A253 W255 D313 C335	K248-G250 WeakPolarHBondContact CE-O 3.46Å; K248-G250 WeakPolarHBondContact CG-O 3.4Å; K248-S251 WeakPolarHBondContact CE-O 3.2Å; K248-S251 PolarHBondContact NZ-O 2.9Å; K248-A253 VanDerWaalsContact CD-O 3.24Å; K248-A253 WeakPolarHBondContact CD-O 3.44Å; K248-A253 WeakPolarHBondContact CE-O 3.43Å; K248-A253 HydrophobicContact CG-CB 4.38Å; K248-A253 WeakPolarHBondContact CG-O 3.39Å; K248-W255 HydrophobicContact CB-CD2 3.63Å; K248-W255 HydrophobicContact CB-CE3 3.73Å; K248-W255 HydrophobicContact CB-CG 4.11Å; K248-W255 HydrophobicContact CB-CH2 4.36Å; K248-W255 HydrophobicContact CB-CZ2 4.28Å; K248-W255 HydrophobicContact CB-CZ3 4.1Å; K248-W255 HydrophobicContact CD-CD2 4.21Å; K248-W255 HydrophobicContact CD-CG 4.31Å; K248-W255 HydrophobicContact CD-CZ2 4.3Å; K248-D313 IonicContact NZ-OD1 3.36Å; K248-D313 IonicContact NZ-OD2 2.81Å; K248-D313 PolarHBondContact NZ-OD2 2.82Å; K248-C335 HydrophobicContact CB-CB 4.09Å; K248-C335 PolarHBondContact N-O 3.41Å; K248-C335 PolarHBondContact O-N 3.26Å
249	Q	88	Confident	89.1	Confident	77 Å²	77	40.1 Å²	40.1	36%	0.36	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.7	-178.1	-67.5	179.5	-55.5	0	0	110.4	A253 Y269 L334	Q249-A253 WeakPolarHBondContact O-CB 3.45Å; Q249-Y269 PolarHBondContact NE2-OH 3.34Å; Q249-L334 HydrophobicContact CG-CD1 3.81Å
250	G	82.6	Confident	89.3	Confident	22 Å²	22	40 Å²	40	23%	0.227	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-176.2	-174.4	0	0	0	0	0	113.2	K248 T333	K248-G250 WeakPolarHBondContact CE-O 3.46Å; K248-G250 WeakPolarHBondContact CG-O 3.4Å; G250-T333 WeakPolarHBondContact CA-O 3.38Å; G250-T333 PolarHBondContact N-O 3.39Å
251	S	72.7	Confident	89.5	Confident	101 Å²	101	38 Å²	38	71%	0.706	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-25.1	-177.4	51.3	0	0	0	0	113.6	K248	K248-S251 WeakPolarHBondContact CE-O 3.2Å; K248-S251 PolarHBondContact NZ-O 2.9Å
252	T	75.7	Confident	89.5	Confident	133 Å²	133	39 Å²	39	82%	0.816	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-16.4	-170.1	55.4	0	0	0	0	114.5
253	A	84.1	Confident	89.4	Confident	37 Å²	37	42.9 Å²	42.9	31%	0.306	23%	0.232	S	C	.	.	S	Bend	trans	-68.1	159.2	-179.9	0	0	0	0	0	112.5	K248 Q249	K248-A253 VanDerWaalsContact CD-O 3.24Å; K248-A253 WeakPolarHBondContact CD-O 3.44Å; K248-A253 WeakPolarHBondContact CE-O 3.43Å; K248-A253 HydrophobicContact CG-CB 4.38Å; K248-A253 WeakPolarHBondContact CG-O 3.39Å; Q249-A253 WeakPolarHBondContact O-CB 3.45Å
254	K	88	Confident	89.3	Confident	188 Å²	188	44.3 Å²	44.3	82%	0.817	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-78.6	148.1	172.7	-61.7	-176	179	178.2	0	110
255	W	90.5	Very high	89.3	Confident	25 Å²	25	42.8 Å²	42.8	10%	0.095	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.1	133.4	170.3	-73.2	97.5	0	0	0	110.5	I247 K248 C315 L317 Y324 C335 Q337	I247-W255 WeakPolarHBondContact O-CA 3.49Å; K248-W255 HydrophobicContact CB-CD2 3.63Å; K248-W255 HydrophobicContact CB-CE3 3.73Å; K248-W255 HydrophobicContact CB-CG 4.11Å; K248-W255 HydrophobicContact CB-CH2 4.36Å; K248-W255 HydrophobicContact CB-CZ2 4.28Å; K248-W255 HydrophobicContact CB-CZ3 4.1Å; K248-W255 HydrophobicContact CD-CD2 4.21Å; K248-W255 HydrophobicContact CD-CG 4.31Å; K248-W255 HydrophobicContact CD-CZ2 4.3Å; W255-C315 HydrophobicContact CD2-CB 3.63Å; W255-C315 HydrophobicContact CE3-CB 3.72Å; W255-C315 HydrophobicContact CG-CB 4.11Å; W255-C315 HydrophobicContact CH2-CB 4.25Å; W255-C315 HydrophobicContact CZ2-CB 4.19Å; W255-C315 HydrophobicContact CZ3-CB 4.03Å; W255-L317 HydrophobicContact CB-CD1 4.37Å; W255-Y324 HydrophobicContact CH2-CD1 4.45Å; W255-Y324 HydrophobicContact CH2-CD2 4.37Å; W255-Y324 AromaticContact CH2-CG 3.95Å; W255-Y324 HydrophobicContact CH2-CG 3.95Å; W255-Y324 HydrophobicContact CZ2-CD1 4.21Å; W255-Y324 HydrophobicContact CZ2-CG 4.15Å; W255-C335 HydrophobicContact CH2-CB 3.57Å; W255-C335 HydrophobicContact CZ2-CB 4.06Å; W255-C335 HydrophobicContact CZ3-CB 4.16Å; W255-Q337 HydrophobicContact CH2-CB 4.13Å; W255-Q337 HydrophobicContact CZ3-CB 4.06Å
256	T	91.2	Very high	89.4	Confident	34 Å²	34	43 Å²	43	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.4	178.4	56.3	0	0	0	0	110.8	Y246 I247 T271	Y246-T256 CarbonylContact C-O 3.5Å; Y246-T256 VanDerWaalsContact CA-O 3.26Å; Y246-T256 WeakPolarHBondContact CA-O 3.23Å; I247-T256 PolarHBondContact N-O 2.93Å; I247-T256 PolarHBondContact O-N 2.81Å; T256-T271 WeakPolarHBondContact OG1-CG2 3.38Å
257	S	91	Very high	89.5	Confident	36 Å²	36	41.1 Å²	41.1	25%	0.252	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.9	171.9	62	0	0	0	0	110.2	K272	S257-K272 PolarHBondContact O-N 3.4Å; S257-K272 VanDerWaalsContact OG-CD 3.29Å; S257-K272 WeakPolarHBondContact OG-CD 3.31Å; S257-K272 WeakPolarHBondContact OG-CE 3.4Å; S257-K272 WeakPolarHBondContact OG-CG 3.44Å
258	A	92	Very high	89.6	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.7	-178	0	0	0	0	0	112.5	A245 I247 L260 S270 T271	A245-A258 PolarHBondContact N-O 3.09Å; A245-A258 PolarHBondContact O-N 3.39Å; I247-A258 HydrophobicContact CB-CB 4.45Å; I247-A258 HydrophobicContact CD1-CB 3.89Å; I247-A258 HydrophobicContact CG1-CB 3.89Å; I247-A258 HydrophobicContact CG2-CB 3.9Å; A258-L260 HydrophobicContact CB-CD1 4.31Å; A258-S270 CarbonylContact C-O 3.59Å; A258-S270 WeakPolarHBondContact CA-O 3.3Å; A258-S270 WeakPolarHBondContact CB-O 3.28Å; A258-T271 HydrophobicContact CB-CG2 4.23Å
259	S	92	Very high	89.8	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.4	165.7	-72.6	0	0	0	0	108.1	D229 Y269 S270	D229-S259 PolarHBondContact OD2-OG 3.13Å; S259-Y269 CarbonylContact O-C 3.47Å; S259-Y269 WeakPolarHBondContact O-CA 3.39Å; S259-S270 PolarHBondContact N-O 3.19Å; S259-S270 PolarHBondContact O-N 3.36Å
260	L	94.3	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.9	-175.7	-61.5	100.1	0	0	0	111.7	V242 G243 A245 A258 L267 Y268 L336 W347	V242-L260 CarbonylContact C-O 3.56Å; V242-L260 WeakPolarHBondContact CA-O 3.42Å; G243-L260 PolarHBondContact N-O 3.25Å; G243-L260 PolarHBondContact O-N 3.36Å; A245-L260 HydrophobicContact CB-CD1 3.45Å; A245-L260 VanDerWaalsContact CB-CD1 3.45Å; A258-L260 HydrophobicContact CB-CD1 4.31Å; L260-L267 HydrophobicContact CB-CD1 4.45Å; L260-L267 HydrophobicContact CD2-CD1 4.31Å; L260-L267 HydrophobicContact CD2-CD2 4.13Å; L260-L267 HydrophobicContact CD2-CG 4.39Å; L260-Y268 CarbonylContact C-O 3.56Å; L260-Y268 VanDerWaalsContact CA-O 3.3Å; L260-Y268 WeakPolarHBondContact CA-O 3.33Å; L260-L336 HydrophobicContact CD2-CD1 3.49Å; L260-L336 VanDerWaalsContact CD2-CD1 3.49Å; L260-L336 HydrophobicContact CD2-CG 4.47Å; L260-W347 HydrophobicContact CB-CH2 3.64Å; L260-W347 HydrophobicContact CB-CZ2 3.79Å; L260-W347 HydrophobicContact CB-CZ3 4.31Å
261	A	93.8	Very high	90.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	129.8	173.5	0	0	0	0	0	111.3	F228 M232 L235 L239 A241 V242 Y268	F228-A261 HydrophobicContact CE1-CB 4.21Å; F228-A261 HydrophobicContact CZ-CB 3.73Å; M232-A261 HydrophobicContact CE-CB 3.43Å; M232-A261 VanDerWaalsContact CE-CB 3.43Å; L235-A261 HydrophobicContact CD2-CB 3.73Å; L239-A261 HydrophobicContact CD1-CB 4.29Å; L239-A261 HydrophobicContact CD2-CB 4.33Å; A241-A261 CarbonylContact O-C 3.54Å; A241-A261 VanDerWaalsContact O-CA 3.31Å; A241-A261 WeakPolarHBondContact O-CA 3.46Å; V242-A261 HydrophobicContact CG1-CB 4.12Å; A261-Y268 PolarHBondContact N-O 3.35Å; A261-Y268 PolarHBondContact O-N 2.96Å
262	K	94.5	Very high	90.3	Very high	22 Å²	22	38.3 Å²	38.3	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.4	165.5	176.5	-175.4	175.4	-78.3	0	109.3	D240 A241 G264 I350	D240-K262 HydrophobicContact CB-CB 4.32Å; D240-K262 HydrophobicContact CB-CD 3.82Å; D240-K262 HydrophobicContact CB-CG 3.99Å; D240-K262 PolarHBondContact N-O 3.22Å; D240-K262 IonicContact OD1-NZ 3.42Å; D240-K262 IonicContact OD2-NZ 2.67Å; D240-K262 PolarHBondContact OD2-NZ 3.44Å; A241-K262 HydrophobicContact CB-CB 4.17Å; A241-K262 PolarHBondContact O-N 3.38Å; K262-G264 WeakPolarHBondContact CE-O 3.43Å; K262-G264 PolarHBondContact NZ-O 2.9Å; K262-I350 HydrophobicContact CB-CG2 4.3Å; K262-I350 HydrophobicContact CD-CG2 3.48Å; K262-I350 VanDerWaalsContact CD-CG2 3.48Å; K262-I350 HydrophobicContact CG-CG2 4.39Å
263	R	91.9	Very high	90.3	Very high	83 Å²	83	37.2 Å²	37.2	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	115.7	167	171.9	-177.2	79.6	169.1	7.7	109.6	D236 I238 L239 F265 S266 Y268	D236-R263 PolarHBondContact O-NH1 3.01Å; I238-R263 WeakPolarHBondContact O-CG 3.48Å; L239-R263 HydrophobicContact CD2-CB 3.94Å; R263-F265 PolarHBondContact O-N 3Å; R263-F265 VanDerWaalsContact O-N 3.16Å; R263-S266 PolarHBondContact N-O 3.27Å; R263-S266 PolarHBondContact O-N 3.14Å; R263-Y268 HydrophobicContact CB-CD2 4.2Å; R263-Y268 HydrophobicContact CB-CE2 3.85Å; R263-Y268 VanDerWaalsContact NH2-CZ 3.32Å; R263-Y268 PolarHBondContact NH2-OH 3Å
264	G	90.8	Very high	90	Very high	34 Å²	34	36.7 Å²	36.7	35%	0.351	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-117	-179.6	0	0	0	0	0	111.4	D240 K262	D240-G264 PolarHBondContact OD2-N 3.3Å; K262-G264 WeakPolarHBondContact CE-O 3.43Å; K262-G264 PolarHBondContact NZ-O 2.9Å
265	F	93.7	Very high	89.5	Confident	39 Å²	39	33.1 Å²	33.1	17%	0.171	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.2	178.1	-57.9	-67.4	0	0	0	114	R263 I282 R283 I354 E364	R263-F265 PolarHBondContact O-N 3Å; R263-F265 VanDerWaalsContact O-N 3.16Å; F265-I282 VanDerWaalsContact O-CB 3.23Å; F265-I282 WeakPolarHBondContact O-CB 3.4Å; F265-I282 WeakPolarHBondContact O-CG1 3.43Å; F265-I282 PolarHBondContact O-N 2.6Å; F265-R283 HydrophobicContact CB-CG 4.09Å; F265-R283 HydrophobicContact CD1-CG 4.16Å; F265-R283 HydrophobicContact CG-CG 4.24Å; F265-I354 HydrophobicContact CD1-CD1 4.32Å; F265-I354 HydrophobicContact CD1-CG2 3.84Å; F265-E364 HydrophobicContact CE1-CB 4.33Å; F265-E364 HydrophobicContact CE1-CG 4.23Å; F265-E364 HydrophobicContact CE2-CG 4.13Å; F265-E364 HydrophobicContact CZ-CB 4.04Å; F265-E364 HydrophobicContact CZ-CG 3.48Å; F265-E364 VanDerWaalsContact CZ-CG 3.48Å; F265-E364 WeakPolarHBondContact CZ-OE1 3.33Å
266	S	95.2	Very high	89.1	Confident	10 Å²	10	33.2 Å²	33.2	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.7	-174.7	-64.5	0	0	0	0	111.6	R263 Y268 E279 L280	R263-S266 PolarHBondContact N-O 3.27Å; R263-S266 PolarHBondContact O-N 3.14Å; S266-Y268 VanDerWaalsContact CB-CE2 3.42Å; S266-Y268 WeakPolarHBondContact CB-OH 3.44Å; S266-E279 WeakPolarHBondContact CB-OE1 3.45Å; S266-E279 PolarHBondContact OG-OE1 3.24Å; S266-L280 CarbonylContact C-O 3.54Å; S266-L280 VanDerWaalsContact CA-O 3.29Å; S266-L280 WeakPolarHBondContact CA-O 3.47Å
267	L	95.6	Very high	88.9	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.8	167	-177.1	68.6	0	0	0	108.2	L260 L280 I282 I327 L336 W347	L260-L267 HydrophobicContact CB-CD1 4.45Å; L260-L267 HydrophobicContact CD2-CD1 4.31Å; L260-L267 HydrophobicContact CD2-CD2 4.13Å; L260-L267 HydrophobicContact CD2-CG 4.39Å; L267-L280 HydrophobicContact CB-CB 4.4Å; L267-L280 HydrophobicContact CB-CD2 4.39Å; L267-L280 PolarHBondContact N-O 3.37Å; L267-L280 WeakPolarHBondContact O-CB 3.4Å; L267-L280 PolarHBondContact O-N 2.72Å; L267-I282 HydrophobicContact CB-CD1 4.22Å; L267-I282 HydrophobicContact CB-CG1 4.19Å; L267-I327 HydrophobicContact CD2-CD1 4.48Å; L267-L336 HydrophobicContact CD2-CD1 4.48Å; L267-W347 HydrophobicContact CD1-CE3 4.37Å; L267-W347 HydrophobicContact CD1-CZ3 3.8Å
268	Y	94	Very high	88.9	Confident	5 Å²	5	32.4 Å²	32.4	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	143.3	174.4	-60.9	-89	0	0	0	109.7	L11 L235 L260 A261 R263 S266 M277 Y278 E279	L11-Y268 HydrophobicContact CD1-CD1 4.28Å; L11-Y268 HydrophobicContact CD1-CE1 3.98Å; L235-Y268 HydrophobicContact CD1-CD1 4.35Å; L235-Y268 HydrophobicContact CD1-CD2 4.47Å; L235-Y268 HydrophobicContact CD1-CG 4.28Å; L235-Y268 HydrophobicContact CD2-CD2 4.26Å; L235-Y268 HydrophobicContact CD2-CG 4.23Å; L260-Y268 CarbonylContact C-O 3.56Å; L260-Y268 VanDerWaalsContact CA-O 3.3Å; L260-Y268 WeakPolarHBondContact CA-O 3.33Å; A261-Y268 PolarHBondContact N-O 3.35Å; A261-Y268 PolarHBondContact O-N 2.96Å; R263-Y268 HydrophobicContact CB-CD2 4.2Å; R263-Y268 HydrophobicContact CB-CE2 3.85Å; R263-Y268 VanDerWaalsContact NH2-CZ 3.32Å; R263-Y268 PolarHBondContact NH2-OH 3Å; S266-Y268 VanDerWaalsContact CB-CE2 3.42Å; S266-Y268 WeakPolarHBondContact CB-OH 3.44Å; Y268-M277 HydrophobicContact CD1-CG 4.49Å; Y268-M277 HydrophobicContact CD1-SD 3.87Å; Y268-M277 HydrophobicContact CG-SD 4.2Å; Y268-Y278 VanDerWaalsContact CA-O 3.26Å; Y268-Y278 WeakPolarHBondContact CA-O 3.41Å; Y268-E279 HydrophobicContact CD1-CB 3.93Å; Y268-E279 HydrophobicContact CD1-CG 4.16Å; Y268-E279 HydrophobicContact CE1-CB 3.6Å; Y268-E279 HydrophobicContact CE1-CG 3.49Å; Y268-E279 VanDerWaalsContact CE1-CG 3.49Å; Y268-E279 PolarHBondContact OH-OE1 3.41Å
269	Y	93.4	Very high	88.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.3	172.1	66	-90.9	0	0	0	112.1	P8 I247 Q249 S259 Y278 L334	P8-Y269 HydrophobicContact CB-CE1 4.36Å; P8-Y269 WeakPolarHBondContact CB-OH 3.45Å; P8-Y269 VanDerWaalsContact CG-OH 3.3Å; P8-Y269 WeakPolarHBondContact CG-OH 3.42Å; I247-Y269 HydrophobicContact CD1-CD2 3.23Å; I247-Y269 HydrophobicContact CD1-CE2 3.3Å; I247-Y269 HydrophobicContact CD1-CG 4.15Å; Q249-Y269 PolarHBondContact NE2-OH 3.34Å; S259-Y269 CarbonylContact O-C 3.47Å; S259-Y269 WeakPolarHBondContact O-CA 3.39Å; Y269-Y278 AromaticContact CD2-CD2 3.95Å; Y269-Y278 HydrophobicContact CD2-CD2 3.95Å; Y269-Y278 HydrophobicContact CD2-CG 4.39Å; Y269-Y278 HydrophobicContact CE1-CG 4.47Å; Y269-Y278 AromaticContact CE2-CD2 3.39Å; Y269-Y278 HydrophobicContact CE2-CD2 3.39Å; Y269-Y278 HydrophobicContact CE2-CE2 4.26Å; Y269-Y278 AromaticContact CE2-CG 3.65Å; Y269-Y278 HydrophobicContact CE2-CG 3.65Å; Y269-Y278 AromaticContact CZ-CD2 3.96Å; Y269-Y278 AromaticContact CZ-CG 3.69Å; Y269-Y278 PolarHBondContact N-O 3.15Å; Y269-Y278 PolarHBondContact O-N 3.1Å; Y269-Y278 WeakPolarHBondContact OH-CB 3.4Å; Y269-L334 HydrophobicContact CD1-CD2 4.24Å; Y269-L334 HydrophobicContact CE1-CD2 3.74Å
270	S	90.6	Very high	89	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.8	167.5	74.2	0	0	0	0	109.7	M232 A258 S259	M232-S270 WeakPolarHBondContact CG-OG 3.41Å; A258-S270 CarbonylContact C-O 3.59Å; A258-S270 WeakPolarHBondContact CA-O 3.3Å; A258-S270 WeakPolarHBondContact CB-O 3.28Å; S259-S270 PolarHBondContact N-O 3.19Å; S259-S270 PolarHBondContact O-N 3.36Å
271	T	87.6	Confident	89	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.4	173.6	67	0	0	0	0	109.3	I247 T256 A258 T273 S274	I247-T271 HydrophobicContact CD1-CG2 3.39Å; I247-T271 HydrophobicContact CG1-CG2 3.88Å; T256-T271 WeakPolarHBondContact OG1-CG2 3.38Å; A258-T271 HydrophobicContact CB-CG2 4.23Å; T271-T273 PolarHBondContact O-N 3.13Å; T271-T273 PolarHBondContact OG1-OG1 2.86Å; T271-S274 PolarHBondContact O-N 2.87Å; T271-S274 VanDerWaalsContact O-O 3.08Å; T271-S274 WeakPolarHBondContact OG1-CB 3.42Å; T271-S274 PolarHBondContact OG1-N 3.43Å; T271-S274 PolarHBondContact OG1-OG 3.44Å; T271-S274 VanDerWaalsContact OG1-OG 3.13Å
272	K	76.7	Confident	89	Confident	149 Å²	149	35.9 Å²	35.9	65%	0.648	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.6	177.9	-63.8	-170.8	-179.2	-175.5	0	114.5	S257	S257-K272 PolarHBondContact O-N 3.4Å; S257-K272 VanDerWaalsContact OG-CD 3.29Å; S257-K272 WeakPolarHBondContact OG-CD 3.31Å; S257-K272 WeakPolarHBondContact OG-CE 3.4Å; S257-K272 WeakPolarHBondContact OG-CG 3.44Å
273	T	76.6	Confident	88.9	Confident	110 Å²	110	36.4 Å²	36.4	68%	0.675	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-10	-180	48.7	0	0	0	0	113.6	T271	T271-T273 PolarHBondContact O-N 3.13Å; T271-T273 PolarHBondContact OG1-OG1 2.86Å
274	S	76.5	Confident	88.9	Confident	26 Å²	26	33.9 Å²	33.9	18%	0.182	18%	0.177	C	C	.	.			trans	-119.7	130	-176	-62.2	0	0	0	0	110.7	T271 C276	T271-S274 PolarHBondContact O-N 2.87Å; T271-S274 VanDerWaalsContact O-O 3.08Å; T271-S274 WeakPolarHBondContact OG1-CB 3.42Å; T271-S274 PolarHBondContact OG1-N 3.43Å; T271-S274 PolarHBondContact OG1-OG 3.44Å; T271-S274 VanDerWaalsContact OG1-OG 3.13Å; S274-C276 PolarHBondContact O-N 3.34Å; S274-C276 VanDerWaalsContact O-N 3.15Å
275	E	77.8	Confident	88.8	Confident	113 Å²	113	32.2 Å²	32.2	53%	0.528	16%	0.16	S	C	.	.	S	Bend	trans	-78.2	13.5	175	-58	-169.2	157.8	0	0	113.8	R13 K16	R13-E275 PolarHBondContact NE-O 3.26Å; K16-E275 IonicContact NZ-OE2 3.38Å; K16-E275 PolarHBondContact NZ-OE2 3.45Å
276	C	82.6	Confident	88.1	Confident	28 Å²	28	32.9 Å²	32.9	19%	0.189	16%	0.162	C	C	.	.	S	Bend	trans	-129.6	154.1	-178.7	60.7	0	0	0	0	111.4	P10 S274 Y278	P10-C276 HydrophobicContact CB-CB 4.28Å; S274-C276 PolarHBondContact O-N 3.34Å; S274-C276 VanDerWaalsContact O-N 3.15Å; C276-Y278 VanDerWaalsContact SG-CZ 3.59Å
277	M	86.4	Confident	87.4	Confident	17 Å²	17	33.5 Å²	33.5	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.7	170.4	-174.6	-172.2	-44	0	0	108.9	P10 L11 E231 M232 L235 Y268	P10-M277 WeakPolarHBondContact CA-O 3.38Å; L11-M277 PolarHBondContact N-O 3.35Å; E231-M277 VanDerWaalsContact O-CE 3.29Å; E231-M277 WeakPolarHBondContact O-CE 3.42Å; M232-M277 HydrophobicContact SD-CE 3.84Å; M232-M277 HydrophobicContact SD-CG 3.68Å; M232-M277 HydrophobicContact SD-SD 3.73Å; L235-M277 HydrophobicContact CB-CE 4.01Å; L235-M277 HydrophobicContact CB-SD 4.43Å; L235-M277 HydrophobicContact CD1-CE 4.44Å; L235-M277 HydrophobicContact CD1-SD 3.93Å; L235-M277 HydrophobicContact CD2-SD 4.48Å; Y268-M277 HydrophobicContact CD1-CG 4.49Å; Y268-M277 HydrophobicContact CD1-SD 3.87Å; Y268-M277 HydrophobicContact CG-SD 4.2Å
278	Y	90.6	Very high	86.5	Confident	35 Å²	35	34.7 Å²	34.7	14%	0.137	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.3	176.8	-63.7	-86	0	0	0	110.2	P8 P10 Y268 Y269 C276	P8-Y278 HydrophobicContact CB-CD1 3.95Å; P8-Y278 HydrophobicContact CB-CG 4.3Å; P10-Y278 HydrophobicContact CB-CD1 4.38Å; P10-Y278 HydrophobicContact CB-CE1 4.16Å; Y268-Y278 VanDerWaalsContact CA-O 3.26Å; Y268-Y278 WeakPolarHBondContact CA-O 3.41Å; Y269-Y278 AromaticContact CD2-CD2 3.95Å; Y269-Y278 HydrophobicContact CD2-CD2 3.95Å; Y269-Y278 HydrophobicContact CD2-CG 4.39Å; Y269-Y278 HydrophobicContact CE1-CG 4.47Å; Y269-Y278 AromaticContact CE2-CD2 3.39Å; Y269-Y278 HydrophobicContact CE2-CD2 3.39Å; Y269-Y278 HydrophobicContact CE2-CE2 4.26Å; Y269-Y278 AromaticContact CE2-CG 3.65Å; Y269-Y278 HydrophobicContact CE2-CG 3.65Å; Y269-Y278 AromaticContact CZ-CD2 3.96Å; Y269-Y278 AromaticContact CZ-CG 3.69Å; Y269-Y278 PolarHBondContact N-O 3.15Å; Y269-Y278 PolarHBondContact O-N 3.1Å; Y269-Y278 WeakPolarHBondContact OH-CB 3.4Å; C276-Y278 VanDerWaalsContact SG-CZ 3.59Å
279	E	92.9	Very high	85.2	Confident	58 Å²	58	36.9 Å²	36.9	27%	0.271	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.2	170.5	-179.8	171.2	-159.6	0	0	110.9	P8 V9 L11 S266 Y268	P8-E279 VanDerWaalsContact CA-O 3.28Å; P8-E279 WeakPolarHBondContact CA-O 3.37Å; V9-E279 PolarHBondContact N-O 2.88Å; V9-E279 PolarHBondContact O-N 2.77Å; L11-E279 HydrophobicContact CD1-CB 4.48Å; S266-E279 WeakPolarHBondContact CB-OE1 3.45Å; S266-E279 PolarHBondContact OG-OE1 3.24Å; Y268-E279 HydrophobicContact CD1-CB 3.93Å; Y268-E279 HydrophobicContact CD1-CG 4.16Å; Y268-E279 HydrophobicContact CE1-CB 3.6Å; Y268-E279 HydrophobicContact CE1-CG 3.49Å; Y268-E279 VanDerWaalsContact CE1-CG 3.49Å; Y268-E279 PolarHBondContact OH-OE1 3.41Å
280	L	93.9	Very high	83.5	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.7	169.3	-177.3	154.2	0	0	0	109.4	S266 L267 I282 V285 I327 M329 L334	S266-L280 CarbonylContact C-O 3.54Å; S266-L280 VanDerWaalsContact CA-O 3.29Å; S266-L280 WeakPolarHBondContact CA-O 3.47Å; L267-L280 HydrophobicContact CB-CB 4.4Å; L267-L280 HydrophobicContact CB-CD2 4.39Å; L267-L280 PolarHBondContact N-O 3.37Å; L267-L280 WeakPolarHBondContact O-CB 3.4Å; L267-L280 PolarHBondContact O-N 2.72Å; L280-I282 HydrophobicContact CD2-CG1 4.03Å; L280-I282 PolarHBondContact O-N 2.72Å; L280-V285 HydrophobicContact CD2-CG2 3.89Å; L280-I327 HydrophobicContact CD1-CD1 4.48Å; L280-I327 HydrophobicContact CD1-CG2 3.99Å; L280-I327 HydrophobicContact CD2-CG2 4.48Å; L280-M329 HydrophobicContact CD1-CE 3.81Å; L280-M329 HydrophobicContact CD1-SD 3.96Å; L280-M329 HydrophobicContact CG-CE 4.46Å; L280-M329 HydrophobicContact CG-SD 4.01Å; L280-L334 HydrophobicContact CD1-CD2 3.73Å
281	D	94.5	Very high	81.3	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	110.6	172.2	-172.6	-17.2	0	0	0	109.8	R283 K284	D281-R283 PolarHBondContact O-N 3.49Å; D281-R283 WeakPolarHBondContact OD1-CB 3.37Å; D281-R283 IonicContact OD1-CZ 3.82Å; D281-R283 PolarHBondContact OD1-N 2.96Å; D281-R283 IonicContact OD1-NE 3.71Å; D281-R283 PolarHBondContact OD1-NE 3.27Å; D281-R283 IonicContact OD1-NH2 2.85Å; D281-R283 IonicContact OD2-CZ 2.67Å; D281-R283 IonicContact OD2-NE 3.13Å; D281-R283 PolarHBondContact OD2-NE 3.22Å; D281-R283 IonicContact OD2-NH2 3.01Å; D281-R283 PolarHBondContact OD2-NH2 3.14Å; D281-K284 HydrophobicContact CB-CD 4.23Å; D281-K284 HydrophobicContact CB-CG 4.18Å; D281-K284 PolarHBondContact O-N 3.34Å; D281-K284 VanDerWaalsContact O-N 3.08Å
282	I	94	Very high	79	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.8	-29.6	-174.9	-61.3	166.9	0	0	0	110.5	F265 L267 L280 K284 V285 V351 I354 L355	F265-I282 VanDerWaalsContact O-CB 3.23Å; F265-I282 WeakPolarHBondContact O-CB 3.4Å; F265-I282 WeakPolarHBondContact O-CG1 3.43Å; F265-I282 PolarHBondContact O-N 2.6Å; L267-I282 HydrophobicContact CB-CD1 4.22Å; L267-I282 HydrophobicContact CB-CG1 4.19Å; L280-I282 HydrophobicContact CD2-CG1 4.03Å; L280-I282 PolarHBondContact O-N 2.72Å; I282-K284 PolarHBondContact O-N 3.19Å; I282-K284 VanDerWaalsContact O-N 3.11Å; I282-V285 WeakPolarHBondContact O-CB 3.5Å; I282-V285 WeakPolarHBondContact O-CG2 3.38Å; I282-V285 PolarHBondContact O-N 3.31Å; I282-V285 VanDerWaalsContact O-N 3.15Å; I282-V351 HydrophobicContact CG1-CG1 4.48Å; I282-V351 HydrophobicContact CG2-CG1 3.59Å; I282-I354 HydrophobicContact CB-CB 4.36Å; I282-I354 HydrophobicContact CB-CG2 4.01Å; I282-I354 HydrophobicContact CD1-CG1 4.19Å; I282-I354 HydrophobicContact CG2-CB 3.72Å; I282-I354 HydrophobicContact CG2-CG1 4.46Å; I282-I354 HydrophobicContact CG2-CG2 3.72Å; I282-L355 HydrophobicContact CG2-CD2 3.83Å; I282-L355 HydrophobicContact CG2-CG 4.1Å; I282-L355 WeakPolarHBondContact O-CD2 3.39Å
283	R	91.6	Very high	76.9	Confident	34 Å²	34	49.9 Å²	49.9	13%	0.128	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.9	-19.5	179.6	-61.9	166.8	-62.4	176.3	7.6	112.9	F265 D281 I354 S363 Q365 R366 L367	F265-R283 HydrophobicContact CB-CG 4.09Å; F265-R283 HydrophobicContact CD1-CG 4.16Å; F265-R283 HydrophobicContact CG-CG 4.24Å; D281-R283 PolarHBondContact O-N 3.49Å; D281-R283 WeakPolarHBondContact OD1-CB 3.37Å; D281-R283 IonicContact OD1-CZ 3.82Å; D281-R283 PolarHBondContact OD1-N 2.96Å; D281-R283 IonicContact OD1-NE 3.71Å; D281-R283 PolarHBondContact OD1-NE 3.27Å; D281-R283 IonicContact OD1-NH2 2.85Å; D281-R283 IonicContact OD2-CZ 2.67Å; D281-R283 IonicContact OD2-NE 3.13Å; D281-R283 PolarHBondContact OD2-NE 3.22Å; D281-R283 IonicContact OD2-NH2 3.01Å; D281-R283 PolarHBondContact OD2-NH2 3.14Å; R283-I354 HydrophobicContact CG-CG2 4.45Å; R283-S363 PolarHBondContact NH1-O 3.36Å; R283-Q365 WeakPolarHBondContact CD-O 3.24Å; R283-R366 PolarHBondContact O-NH1 3.42Å; R283-L367 HydrophobicContact CB-CB 4.36Å; R283-L367 HydrophobicContact CB-CD1 4.33Å; R283-L367 HydrophobicContact CB-CG 4.06Å; R283-L367 PolarHBondContact O-N 3.33Å
284	K	92.1	Very high	74.9	Confident	29 Å²	29	48 Å²	48	13%	0.126	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-95.2	1.7	179.9	-59.4	-171.9	178.1	-167.3	0	114.8	D281 I282 Y286 L367 S368 S369 D371	D281-K284 HydrophobicContact CB-CD 4.23Å; D281-K284 HydrophobicContact CB-CG 4.18Å; D281-K284 PolarHBondContact O-N 3.34Å; D281-K284 VanDerWaalsContact O-N 3.08Å; I282-K284 PolarHBondContact O-N 3.19Å; I282-K284 VanDerWaalsContact O-N 3.11Å; K284-Y286 WeakPolarHBondContact O-CD2 3.46Å; K284-Y286 PolarHBondContact O-N 2.7Å; K284-L367 WeakPolarHBondContact CA-O 3.46Å; K284-L367 HydrophobicContact CG-CB 4.04Å; K284-S368 WeakPolarHBondContact CD-O 3.46Å; K284-S368 VanDerWaalsContact CE-O 3.28Å; K284-S368 WeakPolarHBondContact CE-O 3.49Å; K284-S369 PolarHBondContact NZ-O 2.93Å; K284-D371 WeakPolarHBondContact CE-OD1 3.47Å; K284-D371 VanDerWaalsContact NZ-CG 3.26Å; K284-D371 IonicContact NZ-OD1 3.72Å; K284-D371 PolarHBondContact NZ-OD1 2.71Å; K284-D371 IonicContact NZ-OD2 3.31Å; K284-D371 PolarHBondContact NZ-OD2 2.82Å
285	V	88.8	Confident	72.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.			trans	-71.9	118	178.3	172.4	0	0	0	0	109.2	L280 I282 L288 I327 V328 L355 R366	L280-V285 HydrophobicContact CD2-CG2 3.89Å; I282-V285 WeakPolarHBondContact O-CB 3.5Å; I282-V285 WeakPolarHBondContact O-CG2 3.38Å; I282-V285 PolarHBondContact O-N 3.31Å; I282-V285 VanDerWaalsContact O-N 3.15Å; V285-L288 HydrophobicContact CG1-CD2 3.91Å; V285-L288 HydrophobicContact CG1-CG 4.2Å; V285-I327 HydrophobicContact CB-CG2 4.15Å; V285-I327 HydrophobicContact CG1-CG2 3.64Å; V285-I327 HydrophobicContact CG2-CG2 3.4Å; V285-I327 VanDerWaalsContact CG2-CG2 3.4Å; V285-V328 CarbonylContact C-O 3.59Å; V285-L355 HydrophobicContact CB-CD1 4.47Å; V285-L355 HydrophobicContact CB-CD2 4.09Å; V285-L355 HydrophobicContact CG1-CD1 4.19Å; V285-R366 PolarHBondContact O-NH1 3.46Å; V285-R366 PolarHBondContact O-NH2 3.17Å
286	Y	79.6	Confident	70.6	Confident	53 Å²	53	51.5 Å²	51.5	21%	0.208	27%	0.267	C	S	.	.			trans	-72.4	-38.4	-178.5	-78.2	-103.4	0	0	0	112.7	K284 V328 E330 F433	K284-Y286 WeakPolarHBondContact O-CD2 3.46Å; K284-Y286 PolarHBondContact O-N 2.7Å; Y286-V328 PolarHBondContact N-O 2.96Å; Y286-E330 HydrophobicContact CD2-CB 4.35Å; Y286-E330 VanDerWaalsContact CD2-N 3.27Å; Y286-E330 VanDerWaalsContact CE2-CA 3.49Å; Y286-E330 HydrophobicContact CE2-CB 3.42Å; Y286-E330 VanDerWaalsContact CE2-CB 3.42Å; Y286-E330 HydrophobicContact CE2-CG 4.15Å; Y286-E330 WeakPolarHBondContact OH-CG 3.37Å; Y286-E330 PolarHBondContact OH-OE2 3.45Å; Y286-F433 AromaticContact CD1-CD1 3.09Å; Y286-F433 HydrophobicContact CD1-CD1 3.09Å; Y286-F433 AromaticContact CD1-CE1 3.3Å; Y286-F433 HydrophobicContact CD1-CE1 3.3Å; Y286-F433 HydrophobicContact CD1-CG 4.09Å; Y286-F433 HydrophobicContact CD1-CZ 4.44Å; Y286-F433 HydrophobicContact CD2-CE1 4.05Å; Y286-F433 AromaticContact CE1-CD1 3.29Å; Y286-F433 HydrophobicContact CE1-CD1 3.29Å; Y286-F433 AromaticContact CE1-CE1 3.18Å; Y286-F433 HydrophobicContact CE1-CE1 3.18Å; Y286-F433 HydrophobicContact CE1-CZ 4.43Å; Y286-F433 AromaticContact CE2-CE1 3.96Å; Y286-F433 HydrophobicContact CE2-CE1 3.96Å; Y286-F433 AromaticContact CG-CD1 3.8Å; Y286-F433 HydrophobicContact CG-CD1 3.8Å; Y286-F433 AromaticContact CG-CE1 3.75Å; Y286-F433 HydrophobicContact CG-CE1 3.75Å; Y286-F433 AromaticContact CZ-CE1 3.56Å
287	S	78.9	Confident	68.2	Low	23 Å²	23	57.1 Å²	57.1	16%	0.161	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	142.5	-178.3	-174.5	0	0	0	0	110.2	V328 R434	S287-V328 PolarHBondContact O-N 3.49Å; S287-R434 PolarHBondContact OG-NH2 3.01Å; S287-R434 VanDerWaalsContact OG-NH2 3.15Å
288	L	76.9	Confident	65.7	Low	25 Å²	25	65.1 Å²	65.1	13%	0.131	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	102.4	161.2	-67.7	179.4	0	0	0	107.8	V285 M325 A326 I327 V351 E352 L355	V285-L288 HydrophobicContact CG1-CD2 3.91Å; V285-L288 HydrophobicContact CG1-CG 4.2Å; L288-M325 HydrophobicContact CD2-CE 3.94Å; L288-A326 WeakPolarHBondContact CA-O 3.47Å; L288-I327 HydrophobicContact CD2-CB 4.23Å; L288-I327 HydrophobicContact CD2-CG1 3.77Å; L288-I327 HydrophobicContact CD2-CG2 4.27Å; L288-V351 HydrophobicContact CD1-CB 4.22Å; L288-V351 HydrophobicContact CD1-CG1 3.88Å; L288-V351 HydrophobicContact CD2-CG1 4.06Å; L288-V351 HydrophobicContact CG-CG1 4.46Å; L288-E352 HydrophobicContact CD1-CG 3.44Å; L288-E352 VanDerWaalsContact CD1-CG 3.44Å; L288-L355 HydrophobicContact CD1-CD1 3.44Å; L288-L355 VanDerWaalsContact CD1-CD1 3.44Å; L288-L355 HydrophobicContact CG-CD1 3.63Å
289	S	67.5	Low	63.2	Low	51 Å²	51	68.4 Å²	68.4	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.7	175.5	-171.1	0	0	0	0	109.9	A326	S289-A326 PolarHBondContact N-O 3.45Å; S289-A326 WeakPolarHBondContact O-CB 3.12Å; S289-A326 PolarHBondContact O-N 3.34Å
290	I	56.3	Low	60.5	Low	55 Å²	55	72.2 Å²	72.2	28%	0.282	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.2	154	-44.2	173.4	0	0	0	104.4	L292 T323 R348	I290-L292 HydrophobicContact CB-CB 4.2Å; I290-L292 HydrophobicContact CG2-CB 4.02Å; I290-L292 HydrophobicContact CG2-CD1 4.23Å; I290-L292 PolarHBondContact O-N 3Å; I290-T323 HydrophobicContact CG2-CG2 3.31Å; I290-R348 VanDerWaalsContact CG1-CZ 3.48Å
291	K	45.2	Very low	58.1	Low	108 Å²	108	76 Å²	76	47%	0.47	41%	0.409	S	S	.	.			trans	-68	66.6	150.3	-85	-167.1	-178.8	171.7	0	108	F293 T323 Y324	K291-F293 VanDerWaalsContact C-N 3.33Å; K291-F293 PolarHBondContact O-N 2.71Å; K291-T323 WeakPolarHBondContact O-CG2 3.31Å; K291-Y324 HydrophobicContact CD-CE1 4.37Å; K291-Y324 VanDerWaalsContact CD-OH 3.27Å; K291-Y324 WeakPolarHBondContact CD-OH 3.49Å; K291-Y324 VanDerWaalsContact CE-OH 3.3Å; K291-Y324 WeakPolarHBondContact CE-OH 3.3Å
292	L	38.4	Very low	55.8	Low	114 Å²	114	80.5 Å²	80.5	60%	0.597	44%	0.442	S	S	*	.			trans	-80.3	100.9	155.7	-148.9	79.8	0	0	0	101.3	I290 V294	I290-L292 HydrophobicContact CB-CB 4.2Å; I290-L292 HydrophobicContact CG2-CB 4.02Å; I290-L292 HydrophobicContact CG2-CD1 4.23Å; I290-L292 PolarHBondContact O-N 3Å; L292-V294 PolarHBondContact O-N 3.01Å
293	F	33.6	Very low	53.5	Low	148 Å²	148	88.9 Å²	88.9	65%	0.649	48%	0.481	S	S	*	.			trans	-56.7	103.7	167.5	-126.1	-90	0	0	0	104.7	K291 L295 I308	K291-F293 VanDerWaalsContact C-N 3.33Å; K291-F293 PolarHBondContact O-N 2.71Å; F293-L295 PolarHBondContact O-N 2.95Å; F293-I308 HydrophobicContact CD1-CG2 3.31Å; F293-I308 HydrophobicContact CE1-CG2 3.17Å; F293-I308 HydrophobicContact CG-CG2 4.1Å; F293-I308 HydrophobicContact CZ-CG2 3.86Å
294	V	34.2	Very low	51	Low	70 Å²	70	92 Å²	92	42%	0.424	50%	0.5	S	S	.	.			trans	-65.7	109.5	174.5	167.4	0	0	0	0	104	L292 C296 Y426	L292-V294 PolarHBondContact O-N 3.01Å; V294-C296 VanDerWaalsContact C-N 3.28Å; V294-C296 PolarHBondContact O-N 3.07Å; V294-Y426 WeakPolarHBondContact CG1-OH 3.47Å; V294-Y426 WeakPolarHBondContact CG2-OH 3.3Å
295	L	31.2	Very low	48.2	Very low	98 Å²	98	95.7 Å²	95.7	51%	0.513	52%	0.521	S	S	.	.			trans	-49.7	103.6	155.1	-85.3	139.8	0	0	0	106.6	F293 L297 L305	F293-L295 PolarHBondContact O-N 2.95Å; L295-L297 HydrophobicContact CB-CG 4.13Å; L295-L297 PolarHBondContact O-N 3.04Å; L295-L305 HydrophobicContact CD2-CD1 3.35Å; L295-L305 HydrophobicContact CD2-CD2 4.48Å; L295-L305 HydrophobicContact CD2-CG 3.89Å
296	C	33.9	Very low	45.5	Very low	114 Å²	114	103.3 Å²	103.3	77%	0.77	56%	0.556	S	S	*	*			trans	-59.6	86.6	150	-76.6	0	0	0	0	105.8	V294 E298	V294-C296 VanDerWaalsContact C-N 3.28Å; V294-C296 PolarHBondContact O-N 3.07Å; C296-E298 PolarHBondContact O-N 3.17Å
297	L	32	Very low	43.3	Very low	146 Å²	146	105.8 Å²	105.8	76%	0.764	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	77.4	169.7	-87.6	155.5	0	0	0	107.9	L295	L295-L297 HydrophobicContact CB-CG 4.13Å; L295-L297 PolarHBondContact O-N 3.04Å
298	E	34.4	Very low	41.2	Very low	186 Å²	186	108.4 Å²	108.4	87%	0.869	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-0.4	151.3	-77.4	-159.3	158.8	0	0	113.4	C296 T300	C296-E298 PolarHBondContact O-N 3.17Å; E298-T300 PolarHBondContact O-N 2.94Å
299	V	37.9	Very low	39.3	Very low	103 Å²	103	110.3 Å²	110.3	62%	0.624	61%	0.607	S	S	*	*			trans	-91.7	96.1	177.1	-170.2	0	0	0	0	109.9	S301	V299-S301 PolarHBondContact O-N 3.04Å
300	T	35.7	Very low	38.1	Very low	138 Å²	138	115.8 Å²	115.8	85%	0.847	63%	0.627	S	S	*	*			trans	-62	78.6	160.1	43.9	0	0	0	0	110.1	E298	E298-T300 PolarHBondContact O-N 2.94Å
301	S	43.4	Very low	37.5	Very low	81 Å²	81	122.4 Å²	122.4	57%	0.566	65%	0.654	S	S	*	*			trans	-166.7	114.3	159.7	-89.3	0	0	0	0	109.8	V299 Q303	V299-S301 PolarHBondContact O-N 3.04Å; S301-Q303 PolarHBondContact O-N 3.47Å
302	S	46	Very low	37.9	Very low	114 Å²	114	122.5 Å²	122.5	80%	0.797	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-1.2	-173	41.3	0	0	0	0	115.7
303	Q	45.5	Very low	39.2	Very low	177 Å²	177	119.8 Å²	119.8	83%	0.827	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-13.2	-178.5	-78	177.2	-13.2	0	0	114.9	S301	S301-Q303 PolarHBondContact O-N 3.47Å
304	L	39.8	Very low	41.2	Very low	99 Å²	99	113.5 Å²	113.5	52%	0.518	62%	0.617	S	S	.	*	H	α-helix	trans	-93.2	-5.4	-179.6	-116.1	152.1	0	0	0	113.9	I308	L304-I308 HydrophobicContact CD2-CD1 3.64Å; L304-I308 HydrophobicContact CD2-CG1 4.2Å
305	L	32	Very low	43.6	Very low	107 Å²	107	110.2 Å²	110.2	56%	0.56	60%	0.597	S	S	*	*	H	α-helix	trans	-75.2	-36.7	-177.7	-131.3	94.9	0	0	0	112.8	L295	L295-L305 HydrophobicContact CD2-CD1 3.35Å; L295-L305 HydrophobicContact CD2-CD2 4.48Å; L295-L305 HydrophobicContact CD2-CG 3.89Å
306	E	32.5	Very low	46.1	Very low	159 Å²	159	110.3 Å²	110.3	74%	0.743	60%	0.603	S	S	*	*	H	α-helix	trans	-79.8	-38.4	-174.1	-75.7	-175	158.7	0	0	112.6	I308 A309	E306-I308 VanDerWaalsContact C-N 3.3Å; E306-I308 PolarHBondContact O-N 3.29Å; E306-A309 PolarHBondContact O-N 3.42Å
307	T	33.1	Very low	48.5	Very low	105 Å²	105	109.1 Å²	109.1	64%	0.644	59%	0.589	S	S	*	*	H	α-helix	trans	-70.8	-22.9	-176.2	13.6	0	0	0	0	114
308	I	35.6	Very low	51	Low	79 Å²	79	102.7 Å²	102.7	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-89.2	-24.1	178.4	-60.8	178.8	0	0	0	111.7	F293 L304 E306 E310	F293-I308 HydrophobicContact CD1-CG2 3.31Å; F293-I308 HydrophobicContact CE1-CG2 3.17Å; F293-I308 HydrophobicContact CG-CG2 4.1Å; F293-I308 HydrophobicContact CZ-CG2 3.86Å; L304-I308 HydrophobicContact CD2-CD1 3.64Å; L304-I308 HydrophobicContact CD2-CG1 4.2Å; E306-I308 VanDerWaalsContact C-N 3.3Å; E306-I308 PolarHBondContact O-N 3.29Å; I308-E310 VanDerWaalsContact C-N 3.25Å; I308-E310 PolarHBondContact O-N 3.21Å
309	A	37.3	Very low	53.3	Low	64 Å²	64	101.2 Å²	101.2	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-67.4	-22.4	-179.8	0	0	0	0	0	113.6	E306	E306-A309 PolarHBondContact O-N 3.42Å
310	E	41.1	Very low	55.4	Low	166 Å²	166	99.5 Å²	99.5	78%	0.776	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.1	-164.9	-70.8	-167.9	148.7	0	0	116.6	I308 Q312	I308-E310 VanDerWaalsContact C-N 3.25Å; I308-E310 PolarHBondContact O-N 3.21Å; E310-Q312 PolarHBondContact O-N 3.1Å
311	K	45	Very low	57.3	Low	195 Å²	195	100.3 Å²	100.3	85%	0.848	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	38.1	171.8	-74.7	-172.9	179.8	175.1	0	113	D313	K311-D313 PolarHBondContact O-N 2.97Å
312	Q	52.6	Low	58.7	Low	110 Å²	110	96.7 Å²	96.7	51%	0.514	50%	0.5	S	S	.	.			trans	-61.6	100.6	161.5	-86.6	-171.6	-7.5	0	0	108.6	E310 S314	E310-Q312 PolarHBondContact O-N 3.1Å; Q312-S314 PolarHBondContact O-N 2.94Å
313	D	65.7	Low	60.2	Low	57 Å²	57	93.6 Å²	93.6	31%	0.305	48%	0.476	S	S	.	.			trans	-68.4	57.8	164.5	-172.9	15.7	0	0	0	109.3	K248 K311 Y324	K248-D313 IonicContact NZ-OD1 3.36Å; K248-D313 IonicContact NZ-OD2 2.81Å; K248-D313 PolarHBondContact NZ-OD2 2.82Å; K311-D313 PolarHBondContact O-N 2.97Å; D313-Y324 HydrophobicContact CB-CE1 4.29Å; D313-Y324 WeakPolarHBondContact O-CD1 3.41Å; D313-Y324 WeakPolarHBondContact O-CE1 3.38Å
314	S	77	Confident	62.1	Low	16 Å²	16	86 Å²	86	11%	0.112	44%	0.44	C	S	.	.			trans	-72.5	150.1	169.6	68.1	0	0	0	0	108.8	Q312 P316 G322	Q312-S314 PolarHBondContact O-N 2.94Å; S314-P316 WeakPolarHBondContact O-CD 3.1Å; S314-P316 VanDerWaalsContact O-N 3.16Å; S314-G322 VanDerWaalsContact CB-O 3.28Å; S314-G322 WeakPolarHBondContact CB-O 3.39Å
315	C	83.1	Confident	64.4	Low	0 Å²	0	81.6 Å²	81.6	0%	0	42%	0.416	C	S	.	.			trans	-60	118.9	174.9	179.5	0	0	0	0	109.7	Y246 W255 L317 S318 Q337	Y246-C315 WeakPolarHBondContact CB-SG 3.48Å; Y246-C315 VanDerWaalsContact CG-SG 3.59Å; W255-C315 HydrophobicContact CD2-CB 3.63Å; W255-C315 HydrophobicContact CE3-CB 3.72Å; W255-C315 HydrophobicContact CG-CB 4.11Å; W255-C315 HydrophobicContact CH2-CB 4.25Å; W255-C315 HydrophobicContact CZ2-CB 4.19Å; W255-C315 HydrophobicContact CZ3-CB 4.03Å; C315-L317 PolarHBondContact O-N 3.03Å; C315-S318 WeakPolarHBondContact O-CB 3.03Å; C315-S318 PolarHBondContact O-N 3.47Å; C315-Q337 HydrophobicContact CB-CB 4.14Å; C315-Q337 HydrophobicContact CB-CG 4.32Å
316	P	83.6	Confident	67	Low	100 Å²	100	77 Å²	77	65%	0.649	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.7	-179.6	28.5	-35	0	0	0	112.6	S314	S314-P316 WeakPolarHBondContact O-CD 3.1Å; S314-P316 VanDerWaalsContact O-N 3.16Å
317	L	84.8	Confident	69.8	Low	90 Å²	90	69.4 Å²	69.4	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.8	178.9	-52.8	174.3	0	0	0	112.9	Y246 W255 C315	Y246-L317 HydrophobicContact CD1-CB 3.81Å; Y246-L317 HydrophobicContact CD1-CD1 3.93Å; Y246-L317 HydrophobicContact CE1-CB 3.56Å; Y246-L317 HydrophobicContact CE1-CD1 4.13Å; Y246-L317 HydrophobicContact CG-CB 4.44Å; Y246-L317 PolarHBondContact OH-O 3.34Å; W255-L317 HydrophobicContact CB-CD1 4.37Å; C315-L317 PolarHBondContact O-N 3.03Å
318	S	84.9	Confident	72.3	Confident	10 Å²	10	66.5 Å²	66.5	7%	0.07	34%	0.34	C	S	.	.			trans	-75.4	134.5	-177.8	-178.4	0	0	0	0	111.1	C315 E320 Q337 A338	C315-S318 WeakPolarHBondContact O-CB 3.03Å; C315-S318 PolarHBondContact O-N 3.47Å; S318-E320 PolarHBondContact OG-O 3.44Å; S318-Q337 VanDerWaalsContact CB-NE2 3.26Å; S318-Q337 PolarHBondContact OG-NE2 2.94Å; S318-A338 PolarHBondContact OG-O 3.16Å
319	K	82.5	Confident	74.7	Confident	156 Å²	156	63.6 Å²	63.6	68%	0.678	33%	0.325	S	S	*	.	S	Bend	trans	-62.4	-47.8	176.6	-69.1	174.7	-175.4	155.1	0	112.7	D339	K319-D339 PolarHBondContact N-OD1 3.09Å; K319-D339 IonicContact NZ-OD2 2.83Å; K319-D339 PolarHBondContact NZ-OD2 2.89Å
320	E	81.9	Confident	76.7	Confident	67 Å²	67	64.9 Å²	64.9	31%	0.313	32%	0.32	S	S	.	.	S	Bend	trans	-93.8	116.4	173.2	-163.2	-173.8	167.3	0	0	108.7	S318 G322 D339 S340 K341	S318-E320 PolarHBondContact OG-O 3.44Å; E320-G322 PolarHBondContact O-N 3.34Å; E320-D339 WeakPolarHBondContact CB-O 3.37Å; E320-D339 PolarHBondContact N-O 3.26Å; E320-D339 VanDerWaalsContact N-O 3.1Å; E320-S340 WeakPolarHBondContact OE2-CA 3.48Å; E320-S340 WeakPolarHBondContact OE2-CB 3.35Å; E320-S340 PolarHBondContact OE2-OG 2.88Å; E320-K341 HydrophobicContact CG-CG 4.3Å; E320-K341 WeakPolarHBondContact OE1-CD 3.36Å; E320-K341 WeakPolarHBondContact OE1-CE 3.25Å; E320-K341 VanDerWaalsContact OE1-CG 3.28Å; E320-K341 WeakPolarHBondContact OE1-CG 3.31Å; E320-K341 IonicContact OE1-NZ 2.62Å; E320-K341 PolarHBondContact OE1-NZ 3.28Å; E320-K341 PolarHBondContact OE2-N 3.35Å
321	K	76.5	Confident	78.6	Confident	154 Å²	154	61 Å²	61	67%	0.67	31%	0.305	S	S	*	.			trans	-65.5	131.2	169	-71	-167.7	179.7	-177.6	0	109	K341	K321-K341 WeakPolarHBondContact O-CE 3.37Å
322	G	72.7	Confident	80.4	Confident	6 Å²	6	52.9 Å²	52.9	6%	0.062	27%	0.273	C	S	.	.			trans	-172.4	179.2	-177.4	0	0	0	0	0	111.4	S314 E320 Q337	S314-G322 VanDerWaalsContact CB-O 3.28Å; S314-G322 WeakPolarHBondContact CB-O 3.39Å; E320-G322 PolarHBondContact O-N 3.34Å; G322-Q337 PolarHBondContact O-OE1 2.64Å
323	T	77.7	Confident	82.1	Confident	48 Å²	48	50 Å²	50	29%	0.294	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-79.3	129.8	-177.6	-37.1	0	0	0	0	110.7	I290 K291	I290-T323 HydrophobicContact CG2-CG2 3.31Å; K291-T323 WeakPolarHBondContact O-CG2 3.31Å
324	Y	85.6	Confident	83.3	Confident	18 Å²	18	47.3 Å²	47.3	7%	0.071	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-77.7	159.1	169.8	66.7	-89.4	0	0	0	110.9	W255 K291 D313 A326 C335 L336	W255-Y324 HydrophobicContact CH2-CD1 4.45Å; W255-Y324 HydrophobicContact CH2-CD2 4.37Å; W255-Y324 AromaticContact CH2-CG 3.95Å; W255-Y324 HydrophobicContact CH2-CG 3.95Å; W255-Y324 HydrophobicContact CZ2-CD1 4.21Å; W255-Y324 HydrophobicContact CZ2-CG 4.15Å; K291-Y324 HydrophobicContact CD-CE1 4.37Å; K291-Y324 VanDerWaalsContact CD-OH 3.27Å; K291-Y324 WeakPolarHBondContact CD-OH 3.49Å; K291-Y324 VanDerWaalsContact CE-OH 3.3Å; K291-Y324 WeakPolarHBondContact CE-OH 3.3Å; D313-Y324 HydrophobicContact CB-CE1 4.29Å; D313-Y324 WeakPolarHBondContact O-CD1 3.41Å; D313-Y324 WeakPolarHBondContact O-CE1 3.38Å; Y324-A326 HydrophobicContact CD2-CB 4.43Å; Y324-A326 HydrophobicContact CE2-CB 4Å; Y324-C335 HydrophobicContact CD2-CB 3.66Å; Y324-C335 HydrophobicContact CE2-CB 3.89Å; Y324-C335 WeakPolarHBondContact CE2-SG 3.3Å; Y324-C335 HydrophobicContact CG-CB 4.46Å; Y324-L336 WeakPolarHBondContact CA-O 3.44Å; Y324-L336 WeakPolarHBondContact CB-O 3.37Å
325	M	87.7	Confident	84	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.8	167.3	62.5	-177.4	-70	0	0	109.7	L288 I327 C335 L336 W347 R348 V351	L288-M325 HydrophobicContact CD2-CE 3.94Å; M325-I327 HydrophobicContact CE-CD1 4.03Å; M325-I327 HydrophobicContact CE-CG1 3.89Å; M325-C335 CarbonylContact O-C 3.56Å; M325-C335 WeakPolarHBondContact O-CA 3.35Å; M325-L336 HydrophobicContact CG-CB 3.78Å; M325-L336 HydrophobicContact CG-CD2 4.11Å; M325-L336 HydrophobicContact CG-CG 4.46Å; M325-L336 WeakPolarHBondContact CG-O 3.4Å; M325-L336 PolarHBondContact N-O 2.85Å; M325-L336 PolarHBondContact O-N 2.91Å; M325-L336 HydrophobicContact SD-CB 4.37Å; M325-L336 HydrophobicContact SD-CD2 3.94Å; M325-W347 HydrophobicContact SD-CB 4.28Å; M325-R348 HydrophobicContact CE-CB 4.09Å; M325-R348 HydrophobicContact CE-CG 4.19Å; M325-R348 HydrophobicContact SD-CB 3.82Å; M325-R348 HydrophobicContact SD-CG 4.44Å; M325-V351 HydrophobicContact CE-CB 4.27Å; M325-V351 HydrophobicContact CE-CG2 4.05Å
326	A	87	Confident	84.4	Confident	10 Å²	10	46.9 Å²	46.9	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.5	174.1	0	0	0	0	0	109.6	L288 S289 Y324 T333	L288-A326 WeakPolarHBondContact CA-O 3.47Å; S289-A326 PolarHBondContact N-O 3.45Å; S289-A326 WeakPolarHBondContact O-CB 3.12Å; S289-A326 PolarHBondContact O-N 3.34Å; Y324-A326 HydrophobicContact CD2-CB 4.43Å; Y324-A326 HydrophobicContact CE2-CB 4Å; A326-T333 HydrophobicContact CB-CG2 4.31Å
327	I	90	Very high	84.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	103.5	174.7	-53.2	176.5	0	0	0	107.3	L267 L280 V285 L288 M325 T333 L334	L267-I327 HydrophobicContact CD2-CD1 4.48Å; L280-I327 HydrophobicContact CD1-CD1 4.48Å; L280-I327 HydrophobicContact CD1-CG2 3.99Å; L280-I327 HydrophobicContact CD2-CG2 4.48Å; V285-I327 HydrophobicContact CB-CG2 4.15Å; V285-I327 HydrophobicContact CG1-CG2 3.64Å; V285-I327 HydrophobicContact CG2-CG2 3.4Å; V285-I327 VanDerWaalsContact CG2-CG2 3.4Å; L288-I327 HydrophobicContact CD2-CB 4.23Å; L288-I327 HydrophobicContact CD2-CG1 3.77Å; L288-I327 HydrophobicContact CD2-CG2 4.27Å; M325-I327 HydrophobicContact CE-CD1 4.03Å; M325-I327 HydrophobicContact CE-CG1 3.89Å; I327-T333 CarbonylContact O-C 3.49Å; I327-T333 WeakPolarHBondContact O-CA 3.48Å; I327-L334 HydrophobicContact CB-CB 4.29Å; I327-L334 WeakPolarHBondContact CB-O 3.44Å; I327-L334 HydrophobicContact CD1-CD2 4.45Å; I327-L334 PolarHBondContact N-O 3.11Å; I327-L334 PolarHBondContact O-N 2.76Å
328	V	86.2	Confident	85.2	Confident	44 Å²	44	38 Å²	38	27%	0.267	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.5	-177.7	-175.9	0	0	0	0	109.3	V285 Y286 S287 T333	V285-V328 CarbonylContact C-O 3.59Å; Y286-V328 PolarHBondContact N-O 2.96Å; S287-V328 PolarHBondContact O-N 3.49Å; V328-T333 HydrophobicContact CG2-CG2 4.3Å
329	M	86	Confident	85.4	Confident	18 Å²	18	38.6 Å²	38.6	9%	0.089	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	171	171.1	-64.2	173.9	-77.8	0	0	108.8	P8 L280 N331 S332	P8-M329 HydrophobicContact CG-CE 4.18Å; L280-M329 HydrophobicContact CD1-CE 3.81Å; L280-M329 HydrophobicContact CD1-SD 3.96Å; L280-M329 HydrophobicContact CG-CE 4.46Å; L280-M329 HydrophobicContact CG-SD 4.01Å; M329-N331 VanDerWaalsContact C-N 3.29Å; M329-N331 PolarHBondContact O-N 3.19Å; M329-S332 CarbonylContact C-O 3.56Å; M329-S332 WeakPolarHBondContact CA-O 3.45Å; M329-S332 WeakPolarHBondContact CE-OG 3.5Å; M329-S332 PolarHBondContact N-O 2.92Å
330	E	79.6	Confident	85.6	Confident	91 Å²	91	32.2 Å²	32.2	43%	0.425	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-46.4	-173.9	-159.5	170.2	155.1	0	0	112.8	Y286 S369	Y286-E330 HydrophobicContact CD2-CB 4.35Å; Y286-E330 VanDerWaalsContact CD2-N 3.27Å; Y286-E330 VanDerWaalsContact CE2-CA 3.49Å; Y286-E330 HydrophobicContact CE2-CB 3.42Å; Y286-E330 VanDerWaalsContact CE2-CB 3.42Å; Y286-E330 HydrophobicContact CE2-CG 4.15Å; Y286-E330 WeakPolarHBondContact OH-CG 3.37Å; Y286-E330 PolarHBondContact OH-OE2 3.45Å; E330-S369 WeakPolarHBondContact OE2-CB 3.33Å; E330-S369 PolarHBondContact OE2-OG 3.3Å
331	N	79.7	Confident	85.8	Confident	84 Å²	84	33.3 Å²	33.3	45%	0.449	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	13	-171.3	-64.3	-28.7	0	0	0	112.4	P5 M329	P5-N331 PolarHBondContact O-ND2 3.38Å; M329-N331 VanDerWaalsContact C-N 3.29Å; M329-N331 PolarHBondContact O-N 3.19Å
332	S	84.7	Confident	86.4	Confident	26 Å²	26	31.6 Å²	31.6	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	160.1	-179.8	64.4	0	0	0	0	112.8	G6 M329	G6-S332 PolarHBondContact O-OG 2.92Å; G6-S332 VanDerWaalsContact O-OG 3.14Å; M329-S332 CarbonylContact C-O 3.56Å; M329-S332 WeakPolarHBondContact CA-O 3.45Å; M329-S332 WeakPolarHBondContact CE-OG 3.5Å; M329-S332 PolarHBondContact N-O 2.92Å
333	T	87.1	Confident	87.3	Confident	48 Å²	48	31.5 Å²	31.5	29%	0.294	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.3	172.6	-62.7	0	0	0	0	108.2	G250 A326 I327 V328	G250-T333 WeakPolarHBondContact CA-O 3.38Å; G250-T333 PolarHBondContact N-O 3.39Å; A326-T333 HydrophobicContact CB-CG2 4.31Å; I327-T333 CarbonylContact O-C 3.49Å; I327-T333 WeakPolarHBondContact O-CA 3.48Å; V328-T333 HydrophobicContact CG2-CG2 4.3Å
334	L	90.7	Very high	87.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.7	174.9	-176.6	69.7	0	0	0	108.9	I247 Q249 Y269 L280 I327	I247-L334 HydrophobicContact CB-CD1 4.14Å; I247-L334 HydrophobicContact CD1-CD1 4.32Å; Q249-L334 HydrophobicContact CG-CD1 3.81Å; Y269-L334 HydrophobicContact CD1-CD2 4.24Å; Y269-L334 HydrophobicContact CE1-CD2 3.74Å; L280-L334 HydrophobicContact CD1-CD2 3.73Å; I327-L334 HydrophobicContact CB-CB 4.29Å; I327-L334 WeakPolarHBondContact CB-O 3.44Å; I327-L334 HydrophobicContact CD1-CD2 4.45Å; I327-L334 PolarHBondContact N-O 3.11Å; I327-L334 PolarHBondContact O-N 2.76Å
335	C	91.2	Very high	88.1	Confident	6 Å²	6	37 Å²	37	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.5	172.7	-59.6	0	0	0	0	108.9	I247 K248 W255 Y324 M325	I247-C335 CarbonylContact C-O 3.55Å; I247-C335 WeakPolarHBondContact CA-O 3.46Å; K248-C335 HydrophobicContact CB-CB 4.09Å; K248-C335 PolarHBondContact N-O 3.41Å; K248-C335 PolarHBondContact O-N 3.26Å; W255-C335 HydrophobicContact CH2-CB 3.57Å; W255-C335 HydrophobicContact CZ2-CB 4.06Å; W255-C335 HydrophobicContact CZ3-CB 4.16Å; Y324-C335 HydrophobicContact CD2-CB 3.66Å; Y324-C335 HydrophobicContact CE2-CB 3.89Å; Y324-C335 WeakPolarHBondContact CE2-SG 3.3Å; Y324-C335 HydrophobicContact CG-CB 4.46Å; M325-C335 CarbonylContact O-C 3.56Å; M325-C335 WeakPolarHBondContact O-CA 3.35Å
336	L	92.9	Very high	88.2	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.8	179	-175.9	162.6	0	0	0	110.1	A245 Y246 L260 L267 Y324 M325 W347	A245-L336 HydrophobicContact CB-CD2 4.18Å; A245-L336 HydrophobicContact CB-CG 4.33Å; Y246-L336 WeakPolarHBondContact O-CA 3.46Å; L260-L336 HydrophobicContact CD2-CD1 3.49Å; L260-L336 VanDerWaalsContact CD2-CD1 3.49Å; L260-L336 HydrophobicContact CD2-CG 4.47Å; L267-L336 HydrophobicContact CD2-CD1 4.48Å; Y324-L336 WeakPolarHBondContact CA-O 3.44Å; Y324-L336 WeakPolarHBondContact CB-O 3.37Å; M325-L336 HydrophobicContact CG-CB 3.78Å; M325-L336 HydrophobicContact CG-CD2 4.11Å; M325-L336 HydrophobicContact CG-CG 4.46Å; M325-L336 WeakPolarHBondContact CG-O 3.4Å; M325-L336 PolarHBondContact N-O 2.85Å; M325-L336 PolarHBondContact O-N 2.91Å; M325-L336 HydrophobicContact SD-CB 4.37Å; M325-L336 HydrophobicContact SD-CD2 3.94Å; L336-W347 HydrophobicContact CD2-CB 3.99Å; L336-W347 HydrophobicContact CD2-CG 4.19Å
337	Q	92.5	Very high	88.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	128.1	173.9	-174.7	174.2	-25.3	0	0	110.1	Y246 W255 C315 S318 G322	Y246-Q337 WeakPolarHBondContact CA-O 3.28Å; Y246-Q337 WeakPolarHBondContact CB-O 3.33Å; Y246-Q337 WeakPolarHBondContact CD2-O 3.36Å; Y246-Q337 PolarHBondContact N-O 2.99Å; Y246-Q337 PolarHBondContact O-N 3.17Å; W255-Q337 HydrophobicContact CH2-CB 4.13Å; W255-Q337 HydrophobicContact CZ3-CB 4.06Å; C315-Q337 HydrophobicContact CB-CB 4.14Å; C315-Q337 HydrophobicContact CB-CG 4.32Å; S318-Q337 VanDerWaalsContact CB-NE2 3.26Å; S318-Q337 PolarHBondContact OG-NE2 2.94Å; G322-Q337 PolarHBondContact O-OE1 2.64Å
338	A	92.4	Very high	88.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.			trans	-91.5	169.3	171.4	0	0	0	0	0	111.2	A245 S318 S340 L343 T344	A245-A338 HydrophobicContact CB-CB 4.28Å; S318-A338 PolarHBondContact OG-O 3.16Å; A338-S340 PolarHBondContact O-N 3.3Å; A338-L343 HydrophobicContact CB-CB 3.56Å; A338-T344 PolarHBondContact N-OG1 3.29Å; A338-T344 PolarHBondContact O-OG1 3.25Å
339	D	89	Confident	88.5	Confident	24 Å²	24	42.5 Å²	42.5	13%	0.128	21%	0.205	C	C	.	.	S	Bend	trans	-57.8	-19.7	-178	-108.2	-5.8	0	0	0	115	Y246 K319 E320	Y246-D339 WeakPolarHBondContact CE2-OD1 3.39Å; Y246-D339 PolarHBondContact OH-OD1 3.48Å; K319-D339 PolarHBondContact N-OD1 3.09Å; K319-D339 IonicContact NZ-OD2 2.83Å; K319-D339 PolarHBondContact NZ-OD2 2.89Å; E320-D339 WeakPolarHBondContact CB-O 3.37Å; E320-D339 PolarHBondContact N-O 3.26Å; E320-D339 VanDerWaalsContact N-O 3.1Å
340	S	87.6	Confident	88.8	Confident	22 Å²	22	42.7 Å²	42.7	15%	0.154	21%	0.207	C	C	.	.	S	Bend	trans	-135.2	145.9	176.7	172.9	0	0	0	0	111	E320 A338 K342 L343 T344	E320-S340 WeakPolarHBondContact OE2-CA 3.48Å; E320-S340 WeakPolarHBondContact OE2-CB 3.35Å; E320-S340 PolarHBondContact OE2-OG 2.88Å; A338-S340 PolarHBondContact O-N 3.3Å; S340-K342 PolarHBondContact O-N 3.3Å; S340-K342 VanDerWaalsContact O-N 3.17Å; S340-K342 PolarHBondContact OG-N 2.87Å; S340-L343 PolarHBondContact O-N 3.38Å; S340-T344 PolarHBondContact O-N 3.35Å; S340-T344 PolarHBondContact O-OG1 3.08Å
341	K	86.2	Confident	89.3	Confident	90 Å²	90	38.4 Å²	38.4	39%	0.391	19%	0.187	S	C	.	.	H	α-helix	trans	-52.6	-37.5	173.5	-68.5	177	-163.7	156	0	111.8	E320 K321 T344 R345	E320-K341 HydrophobicContact CG-CG 4.3Å; E320-K341 WeakPolarHBondContact OE1-CD 3.36Å; E320-K341 WeakPolarHBondContact OE1-CE 3.25Å; E320-K341 VanDerWaalsContact OE1-CG 3.28Å; E320-K341 WeakPolarHBondContact OE1-CG 3.31Å; E320-K341 IonicContact OE1-NZ 2.62Å; E320-K341 PolarHBondContact OE1-NZ 3.28Å; E320-K341 PolarHBondContact OE2-N 3.35Å; K321-K341 WeakPolarHBondContact O-CE 3.37Å; K341-T344 PolarHBondContact O-N 3.41Å; K341-R345 VanDerWaalsContact O-CG 3.29Å; K341-R345 WeakPolarHBondContact O-CG 3.45Å; K341-R345 PolarHBondContact O-N 2.9Å
342	K	88.5	Confident	89.6	Confident	118 Å²	118	37 Å²	37	51%	0.513	18%	0.177	S	C	.	.	H	α-helix	trans	-62.3	-45.2	177.1	-177.5	175.5	-179.1	173.2	0	111.8	S340 R345 L346	S340-K342 PolarHBondContact O-N 3.3Å; S340-K342 VanDerWaalsContact O-N 3.17Å; S340-K342 PolarHBondContact OG-N 2.87Å; K342-R345 PolarHBondContact O-N 2.98Å; K342-L346 WeakPolarHBondContact O-CG 3.21Å; K342-L346 PolarHBondContact O-N 3.39Å
343	L	91.7	Very high	89.7	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-70.5	-37.3	-179.6	-63.5	-177.1	0	0	0	111.8	L177 L178 Y194 A338 S340 R345 L346 W347	L177-L343 HydrophobicContact CB-CD1 3.7Å; L177-L343 HydrophobicContact CD1-CD1 3.67Å; L177-L343 HydrophobicContact CG-CD1 4.33Å; L178-L343 HydrophobicContact CB-CD2 4.25Å; L178-L343 HydrophobicContact CD2-CD2 4.22Å; Y194-L343 HydrophobicContact CD1-CD2 3.92Å; Y194-L343 HydrophobicContact CD2-CD2 4.3Å; Y194-L343 HydrophobicContact CG-CD2 3.74Å; A338-L343 HydrophobicContact CB-CB 3.56Å; S340-L343 PolarHBondContact O-N 3.38Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 3.31Å; L343-L346 HydrophobicContact CD2-CD1 4.05Å; L343-L346 PolarHBondContact O-N 3.28Å; L343-W347 PolarHBondContact O-N 3.11Å
344	T	90.9	Very high	89.7	Confident	9 Å²	9	37.3 Å²	37.3	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-42.5	172.7	-54.7	0	0	0	0	110.9	A338 S340 K341 L346 W347 R348	A338-T344 PolarHBondContact N-OG1 3.29Å; A338-T344 PolarHBondContact O-OG1 3.25Å; S340-T344 PolarHBondContact O-N 3.35Å; S340-T344 PolarHBondContact O-OG1 3.08Å; K341-T344 PolarHBondContact O-N 3.41Å; T344-L346 PolarHBondContact O-N 2.87Å; T344-W347 PolarHBondContact O-N 3.46Å; T344-R348 WeakPolarHBondContact O-CB 3.48Å; T344-R348 PolarHBondContact O-N 2.75Å
345	R	87.9	Confident	89.5	Confident	171 Å²	171	37.4 Å²	37.4	65%	0.645	18%	0.18	S	C	*	.	H	α-helix	trans	-62.6	-39.4	174.2	-72.3	172.3	-174.4	173.2	1.3	112.5	K341 K342 L343 R348 T349	K341-R345 VanDerWaalsContact O-CG 3.29Å; K341-R345 WeakPolarHBondContact O-CG 3.45Å; K341-R345 PolarHBondContact O-N 2.9Å; K342-R345 PolarHBondContact O-N 2.98Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 3.31Å; R345-R348 WeakPolarHBondContact O-CB 3.29Å; R345-R348 PolarHBondContact O-N 2.99Å; R345-T349 PolarHBondContact O-N 2.88Å; R345-T349 PolarHBondContact O-OG1 2.87Å
346	L	90.9	Very high	88.9	Confident	30 Å²	30	39.6 Å²	39.6	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-45.6	177.6	-70.5	170.2	0	0	0	112.3	L178 Y194 K342 L343 T344 R348 T349 I350	L178-L346 HydrophobicContact CD2-CB 3.76Å; L178-L346 HydrophobicContact CD2-CD1 3.9Å; L178-L346 HydrophobicContact CD2-CG 4.5Å; Y194-L346 HydrophobicContact CD1-CD1 4.43Å; Y194-L346 HydrophobicContact CD2-CD1 4.13Å; Y194-L346 HydrophobicContact CE1-CD1 3.84Å; Y194-L346 HydrophobicContact CE2-CD1 3.5Å; Y194-L346 VanDerWaalsContact CE2-CD1 3.5Å; Y194-L346 WeakPolarHBondContact OH-CD1 3.31Å; K342-L346 WeakPolarHBondContact O-CG 3.21Å; K342-L346 PolarHBondContact O-N 3.39Å; L343-L346 HydrophobicContact CD2-CD1 4.05Å; L343-L346 PolarHBondContact O-N 3.28Å; T344-L346 PolarHBondContact O-N 2.87Å; L346-R348 PolarHBondContact O-N 3.01Å; L346-T349 PolarHBondContact O-N 3.24Å; L346-T349 VanDerWaalsContact O-N 3.16Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.43Å; L346-I350 PolarHBondContact O-N 3.43Å
347	W	93.2	Very high	88.3	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-56.9	-40.3	172.7	-84.4	117.7	0	0	0	111.9	L178 A241 L260 L267 M325 L336 L343 T344 I350 V351	L178-W347 HydrophobicContact CD1-CD2 4.38Å; L178-W347 HydrophobicContact CD1-CH2 4.09Å; L178-W347 HydrophobicContact CD1-CZ2 3.58Å; A241-W347 HydrophobicContact CB-CZ3 4.47Å; L260-W347 HydrophobicContact CB-CH2 3.64Å; L260-W347 HydrophobicContact CB-CZ2 3.79Å; L260-W347 HydrophobicContact CB-CZ3 4.31Å; L267-W347 HydrophobicContact CD1-CE3 4.37Å; L267-W347 HydrophobicContact CD1-CZ3 3.8Å; M325-W347 HydrophobicContact SD-CB 4.28Å; L336-W347 HydrophobicContact CD2-CB 3.99Å; L336-W347 HydrophobicContact CD2-CG 4.19Å; L343-W347 PolarHBondContact O-N 3.11Å; T344-W347 PolarHBondContact O-N 3.46Å; W347-I350 HydrophobicContact CD2-CD1 4.49Å; W347-I350 HydrophobicContact CE3-CD1 3.95Å; W347-I350 HydrophobicContact CZ3-CD1 4.24Å; W347-I350 WeakPolarHBondContact O-CB 3.32Å; W347-I350 PolarHBondContact O-N 3.12Å; W347-V351 WeakPolarHBondContact O-CG2 3.27Å; W347-V351 PolarHBondContact O-N 3.45Å; W347-V351 VanDerWaalsContact O-N 3.12Å
348	R	89.1	Confident	87.8	Confident	64 Å²	64	53.3 Å²	53.3	24%	0.242	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-49.6	174.2	-172.7	-172.3	-175	-177.7	2.5	112.3	I290 M325 T344 R345 L346 I350 V351 E352	I290-R348 VanDerWaalsContact CG1-CZ 3.48Å; M325-R348 HydrophobicContact CE-CB 4.09Å; M325-R348 HydrophobicContact CE-CG 4.19Å; M325-R348 HydrophobicContact SD-CB 3.82Å; M325-R348 HydrophobicContact SD-CG 4.44Å; T344-R348 WeakPolarHBondContact O-CB 3.48Å; T344-R348 PolarHBondContact O-N 2.75Å; R345-R348 WeakPolarHBondContact O-CB 3.29Å; R345-R348 PolarHBondContact O-N 2.99Å; L346-R348 PolarHBondContact O-N 3.01Å; R348-I350 PolarHBondContact O-N 3.4Å; R348-V351 PolarHBondContact O-N 3.48Å; R348-E352 WeakPolarHBondContact CD-OE1 3.44Å; R348-E352 HydrophobicContact CG-CG 4.09Å; R348-E352 WeakPolarHBondContact CG-OE1 3.33Å; R348-E352 IonicContact CZ-OE1 3.39Å; R348-E352 VanDerWaalsContact CZ-OE1 3.25Å; R348-E352 IonicContact NE-OE1 3.54Å; R348-E352 PolarHBondContact NE-OE1 3.09Å; R348-E352 IonicContact NE-OE2 3.42Å; R348-E352 IonicContact NH2-OE1 3.73Å; R348-E352 PolarHBondContact NH2-OE1 3.17Å; R348-E352 WeakPolarHBondContact O-CB 3.23Å; R348-E352 WeakPolarHBondContact O-CG 3.36Å; R348-E352 PolarHBondContact O-N 2.94Å
349	T	88	Confident	87.5	Confident	81 Å²	81	54.6 Å²	54.6	50%	0.497	26%	0.256	S	S	.	.	H	α-helix	trans	-57.1	-37.8	176.9	-57.6	0	0	0	0	111.5	R345 L346 E352 S353	R345-T349 PolarHBondContact O-N 2.88Å; R345-T349 PolarHBondContact O-OG1 2.87Å; L346-T349 PolarHBondContact O-N 3.24Å; L346-T349 VanDerWaalsContact O-N 3.16Å; T349-E352 PolarHBondContact O-N 3.46Å; T349-S353 VanDerWaalsContact O-CB 3.3Å; T349-S353 WeakPolarHBondContact O-CB 3.46Å; T349-S353 PolarHBondContact O-N 2.99Å
350	I	90.9	Very high	87.5	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-48.7	174.7	-69.5	164.7	0	0	0	110.7	L178 A241 K262 L346 W347 R348 S353	L178-I350 HydrophobicContact CD1-CD1 4.47Å; A241-I350 HydrophobicContact CB-CD1 3.72Å; K262-I350 HydrophobicContact CB-CG2 4.3Å; K262-I350 HydrophobicContact CD-CG2 3.48Å; K262-I350 VanDerWaalsContact CD-CG2 3.48Å; K262-I350 HydrophobicContact CG-CG2 4.39Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.43Å; L346-I350 PolarHBondContact O-N 3.43Å; W347-I350 HydrophobicContact CD2-CD1 4.49Å; W347-I350 HydrophobicContact CE3-CD1 3.95Å; W347-I350 HydrophobicContact CZ3-CD1 4.24Å; W347-I350 WeakPolarHBondContact O-CB 3.32Å; W347-I350 PolarHBondContact O-N 3.12Å; R348-I350 PolarHBondContact O-N 3.4Å; I350-S353 PolarHBondContact O-OG 2.99Å
351	V	90.8	Very high	87.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-45.8	178.7	-176.2	0	0	0	0	111.2	I282 L288 M325 W347 R348 S353 I354 L355	I282-V351 HydrophobicContact CG1-CG1 4.48Å; I282-V351 HydrophobicContact CG2-CG1 3.59Å; L288-V351 HydrophobicContact CD1-CB 4.22Å; L288-V351 HydrophobicContact CD1-CG1 3.88Å; L288-V351 HydrophobicContact CD2-CG1 4.06Å; L288-V351 HydrophobicContact CG-CG1 4.46Å; M325-V351 HydrophobicContact CE-CB 4.27Å; M325-V351 HydrophobicContact CE-CG2 4.05Å; W347-V351 WeakPolarHBondContact O-CG2 3.27Å; W347-V351 PolarHBondContact O-N 3.45Å; W347-V351 VanDerWaalsContact O-N 3.12Å; R348-V351 PolarHBondContact O-N 3.48Å; V351-S353 VanDerWaalsContact C-N 3.26Å; V351-S353 PolarHBondContact O-N 3.27Å; V351-I354 PolarHBondContact O-N 3.1Å; V351-I354 VanDerWaalsContact O-N 3.11Å; V351-L355 HydrophobicContact CG1-CD1 4.27Å; V351-L355 HydrophobicContact CG1-CG 4.5Å; V351-L355 WeakPolarHBondContact O-CG 3.34Å; V351-L355 PolarHBondContact O-N 3.1Å
352	E	86.1	Confident	88.1	Confident	54 Å²	54	55 Å²	55	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-33.9	178.6	-75.5	175.3	164	0	0	112.9	L288 R348 T349 I354 L355 S356	L288-E352 HydrophobicContact CD1-CG 3.44Å; L288-E352 VanDerWaalsContact CD1-CG 3.44Å; R348-E352 WeakPolarHBondContact CD-OE1 3.44Å; R348-E352 HydrophobicContact CG-CG 4.09Å; R348-E352 WeakPolarHBondContact CG-OE1 3.33Å; R348-E352 IonicContact CZ-OE1 3.39Å; R348-E352 VanDerWaalsContact CZ-OE1 3.25Å; R348-E352 IonicContact NE-OE1 3.54Å; R348-E352 PolarHBondContact NE-OE1 3.09Å; R348-E352 IonicContact NE-OE2 3.42Å; R348-E352 IonicContact NH2-OE1 3.73Å; R348-E352 PolarHBondContact NH2-OE1 3.17Å; R348-E352 WeakPolarHBondContact O-CB 3.23Å; R348-E352 WeakPolarHBondContact O-CG 3.36Å; R348-E352 PolarHBondContact O-N 2.94Å; T349-E352 PolarHBondContact O-N 3.46Å; E352-I354 PolarHBondContact O-N 3.18Å; E352-L355 PolarHBondContact O-N 2.99Å; E352-S356 VanDerWaalsContact O-CB 3.27Å; E352-S356 WeakPolarHBondContact O-CB 3.24Å; E352-S356 PolarHBondContact O-N 2.89Å; E352-S356 PolarHBondContact O-OG 3.48Å
353	S	85.4	Confident	88.3	Confident	64 Å²	64	51.6 Å²	51.6	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-34	177.4	75.5	0	0	0	0	112.3	T349 I350 V351 R357	T349-S353 VanDerWaalsContact O-CB 3.3Å; T349-S353 WeakPolarHBondContact O-CB 3.46Å; T349-S353 PolarHBondContact O-N 2.99Å; I350-S353 PolarHBondContact O-OG 2.99Å; V351-S353 VanDerWaalsContact C-N 3.26Å; V351-S353 PolarHBondContact O-N 3.27Å; S353-R357 PolarHBondContact O-N 3.46Å
354	I	88.2	Confident	88.3	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-78.2	-42.7	176	-59.7	-58.5	0	0	0	110.5	F265 I282 R283 V351 E352 S356 R357	F265-I354 HydrophobicContact CD1-CD1 4.32Å; F265-I354 HydrophobicContact CD1-CG2 3.84Å; I282-I354 HydrophobicContact CB-CB 4.36Å; I282-I354 HydrophobicContact CB-CG2 4.01Å; I282-I354 HydrophobicContact CD1-CG1 4.19Å; I282-I354 HydrophobicContact CG2-CB 3.72Å; I282-I354 HydrophobicContact CG2-CG1 4.46Å; I282-I354 HydrophobicContact CG2-CG2 3.72Å; R283-I354 HydrophobicContact CG-CG2 4.45Å; V351-I354 PolarHBondContact O-N 3.1Å; V351-I354 VanDerWaalsContact O-N 3.11Å; E352-I354 PolarHBondContact O-N 3.18Å; I354-S356 PolarHBondContact O-N 3.47Å; I354-R357 VanDerWaalsContact O-CB 3.32Å; I354-R357 WeakPolarHBondContact O-CB 3.06Å; I354-R357 PolarHBondContact O-N 3.46Å
355	L	85.7	Confident	88.3	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-26.8	179.6	-60.7	-178.3	0	0	0	114	I282 V285 L288 V351 E352 S413 F429	I282-L355 HydrophobicContact CG2-CD2 3.83Å; I282-L355 HydrophobicContact CG2-CG 4.1Å; I282-L355 WeakPolarHBondContact O-CD2 3.39Å; V285-L355 HydrophobicContact CB-CD1 4.47Å; V285-L355 HydrophobicContact CB-CD2 4.09Å; V285-L355 HydrophobicContact CG1-CD1 4.19Å; L288-L355 HydrophobicContact CD1-CD1 3.44Å; L288-L355 VanDerWaalsContact CD1-CD1 3.44Å; L288-L355 HydrophobicContact CG-CD1 3.63Å; V351-L355 HydrophobicContact CG1-CD1 4.27Å; V351-L355 HydrophobicContact CG1-CG 4.5Å; V351-L355 WeakPolarHBondContact O-CG 3.34Å; V351-L355 PolarHBondContact O-N 3.1Å; E352-L355 PolarHBondContact O-N 2.99Å; L355-S413 PolarHBondContact O-OG 2.97Å; L355-S413 VanDerWaalsContact O-OG 3.12Å; L355-F429 HydrophobicContact CB-CZ 4.48Å
356	S	79.3	Confident	88.5	Confident	52 Å²	52	46.4 Å²	46.4	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-1.4	179.9	-47.4	0	0	0	0	112.5	E352 I354 R358 F429	E352-S356 VanDerWaalsContact O-CB 3.27Å; E352-S356 WeakPolarHBondContact O-CB 3.24Å; E352-S356 PolarHBondContact O-N 2.89Å; E352-S356 PolarHBondContact O-OG 3.48Å; I354-S356 PolarHBondContact O-N 3.47Å; S356-R358 PolarHBondContact O-N 3.37Å; S356-F429 WeakPolarHBondContact OG-CE2 3.18Å
357	R	80.8	Confident	88.5	Confident	119 Å²	119	45 Å²	45	45%	0.449	23%	0.226	S	C	.	.			trans	-67.3	129.9	-178.3	-166.8	167.6	179.6	-166	-11.9	109.5	S353 I354 E364	S353-R357 PolarHBondContact O-N 3.46Å; I354-R357 VanDerWaalsContact O-CB 3.32Å; I354-R357 WeakPolarHBondContact O-CB 3.06Å; I354-R357 PolarHBondContact O-N 3.46Å; R357-E364 IonicContact CZ-OE1 3.69Å; R357-E364 IonicContact CZ-OE2 3.46Å; R357-E364 IonicContact NE-OE2 3.95Å; R357-E364 PolarHBondContact NE-OE2 3.36Å; R357-E364 IonicContact NH1-OE1 2.54Å; R357-E364 PolarHBondContact NH1-OE1 3.22Å; R357-E364 VanDerWaalsContact NH2-CD 3.3Å; R357-E364 IonicContact NH2-OE1 3.37Å; R357-E364 PolarHBondContact NH2-OE1 3.15Å; R357-E364 IonicContact NH2-OE2 2.92Å; R357-E364 PolarHBondContact NH2-OE2 3.29Å; R357-E364 VanDerWaalsContact NH2-OE2 3.1Å
358	R	80.3	Confident	88.5	Confident	172 Å²	172	44.9 Å²	44.9	65%	0.649	23%	0.226	S	C	*	.			trans	-100.4	129.2	170.7	-62.7	-176.7	-168.5	165.6	3.6	108.3	S356	S356-R358 PolarHBondContact O-N 3.37Å
359	S	86.1	Confident	88.5	Confident	27 Å²	27	42.5 Å²	42.5	19%	0.189	22%	0.219	C	C	.	.			trans	-149.7	148.7	179.8	-170.3	0	0	0	0	109	L361 E364 Q365	S359-L361 VanDerWaalsContact C-N 3.34Å; S359-L361 WeakPolarHBondContact OG-CB 3.47Å; S359-L361 PolarHBondContact OG-N 3.45Å; S359-L361 VanDerWaalsContact OG-N 3.15Å; S359-E364 WeakPolarHBondContact CB-OE2 3.36Å; S359-E364 PolarHBondContact OG-OE2 2.93Å; S359-Q365 PolarHBondContact O-NE2 2.95Å
360	N	90.1	Very high	88.7	Confident	83 Å²	83	42.4 Å²	42.4	44%	0.444	22%	0.215	S	C	.	.	S	Bend	trans	-96.6	3.9	168.7	-65.9	-23.6	0	0	0	111.2	L458 E459	N360-L458 WeakPolarHBondContact O-CA 3.42Å; N360-E459 HydrophobicContact CB-CB 4.33Å; N360-E459 PolarHBondContact O-N 3.38Å
361	L	93	Very high	88.9	Confident	51 Å²	51	42 Å²	42	27%	0.267	21%	0.213	S	C	.	.			trans	-79.8	129.5	171.3	-65.7	169.1	0	0	0	109.5	S359 S363 E364 Q365 E459	S359-L361 VanDerWaalsContact C-N 3.34Å; S359-L361 WeakPolarHBondContact OG-CB 3.47Å; S359-L361 PolarHBondContact OG-N 3.45Å; S359-L361 VanDerWaalsContact OG-N 3.15Å; L361-S363 PolarHBondContact O-N 3.32Å; L361-E364 HydrophobicContact CB-CB 4.24Å; L361-E364 HydrophobicContact CB-CG 3.84Å; L361-E364 HydrophobicContact CD1-CG 4.02Å; L361-E364 PolarHBondContact O-N 2.84Å; L361-E364 VanDerWaalsContact O-N 3.12Å; L361-Q365 PolarHBondContact O-NE2 3.36Å; L361-E459 HydrophobicContact CD2-CB 4.09Å; L361-E459 HydrophobicContact CD2-CG 4.35Å; L361-E459 WeakPolarHBondContact CD2-OE2 3.31Å
362	L	94	Very high	89.1	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.052	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.4	-38	178	-171.7	69.6	0	0	0	111.6	E364 Q365 P373 F454 L458 L462 V498 N499	L362-E364 PolarHBondContact O-N 2.91Å; L362-Q365 WeakPolarHBondContact O-CG 3.37Å; L362-Q365 PolarHBondContact O-N 2.59Å; L362-P373 HydrophobicContact CD1-CG 3.54Å; L362-P373 HydrophobicContact CG-CG 4.42Å; L362-F454 HydrophobicContact CD1-CE1 4.1Å; L362-F454 HydrophobicContact CD1-CZ 3.95Å; L362-L458 HydrophobicContact CB-CD1 4.43Å; L362-L458 HydrophobicContact CB-CD2 4.33Å; L362-L458 HydrophobicContact CD1-CD1 4.06Å; L362-L458 HydrophobicContact CD1-CD2 4.2Å; L362-L462 HydrophobicContact CD2-CD1 3.49Å; L362-L462 VanDerWaalsContact CD2-CD1 3.49Å; L362-V498 HydrophobicContact CD2-CG1 4.3Å; L362-V498 HydrophobicContact CG-CG1 3.95Å; L362-N499 HydrophobicContact CD2-CB 4.25Å
363	S	91.6	Very high	89.5	Confident	48 Å²	48	39.6 Å²	39.6	34%	0.336	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18.1	178.9	59.4	0	0	0	0	113.4	R283 L361	R283-S363 PolarHBondContact NH1-O 3.36Å; L361-S363 PolarHBondContact O-N 3.32Å
364	E	91.7	Very high	89.8	Confident	30 Å²	30	36.8 Å²	36.8	14%	0.14	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-101.3	1.6	-178.7	-55.2	-160.9	145.7	0	0	113	F265 R357 S359 L361 L362	F265-E364 HydrophobicContact CE1-CB 4.33Å; F265-E364 HydrophobicContact CE1-CG 4.23Å; F265-E364 HydrophobicContact CE2-CG 4.13Å; F265-E364 HydrophobicContact CZ-CB 4.04Å; F265-E364 HydrophobicContact CZ-CG 3.48Å; F265-E364 VanDerWaalsContact CZ-CG 3.48Å; F265-E364 WeakPolarHBondContact CZ-OE1 3.33Å; R357-E364 IonicContact CZ-OE1 3.69Å; R357-E364 IonicContact CZ-OE2 3.46Å; R357-E364 IonicContact NE-OE2 3.95Å; R357-E364 PolarHBondContact NE-OE2 3.36Å; R357-E364 IonicContact NH1-OE1 2.54Å; R357-E364 PolarHBondContact NH1-OE1 3.22Å; R357-E364 VanDerWaalsContact NH2-CD 3.3Å; R357-E364 IonicContact NH2-OE1 3.37Å; R357-E364 PolarHBondContact NH2-OE1 3.15Å; R357-E364 IonicContact NH2-OE2 2.92Å; R357-E364 PolarHBondContact NH2-OE2 3.29Å; R357-E364 VanDerWaalsContact NH2-OE2 3.1Å; S359-E364 WeakPolarHBondContact CB-OE2 3.36Å; S359-E364 PolarHBondContact OG-OE2 2.93Å; L361-E364 HydrophobicContact CB-CB 4.24Å; L361-E364 HydrophobicContact CB-CG 3.84Å; L361-E364 HydrophobicContact CD1-CG 4.02Å; L361-E364 PolarHBondContact O-N 2.84Å; L361-E364 VanDerWaalsContact O-N 3.12Å; L362-E364 PolarHBondContact O-N 2.91Å
365	Q	91.9	Very high	90	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.089	18%	0.179	C	C	.	.	S	Bend	trans	-68.7	159.5	-179.8	-60.3	-57.5	-57.3	0	0	112.6	R283 S359 L361 L362 L367 P373 F454	R283-Q365 WeakPolarHBondContact CD-O 3.24Å; S359-Q365 PolarHBondContact O-NE2 2.95Å; L361-Q365 PolarHBondContact O-NE2 3.36Å; L362-Q365 WeakPolarHBondContact O-CG 3.37Å; L362-Q365 PolarHBondContact O-N 2.59Å; Q365-L367 HydrophobicContact CB-CD2 4.41Å; Q365-L367 WeakPolarHBondContact O-CG 3.38Å; Q365-L367 PolarHBondContact O-N 3.49Å; Q365-P373 HydrophobicContact CB-CB 3.97Å; Q365-P373 HydrophobicContact CB-CG 4.16Å; Q365-P373 HydrophobicContact CG-CB 4.32Å; Q365-P373 HydrophobicContact CG-CG 4.35Å; Q365-F454 HydrophobicContact CG-CE2 4.29Å; Q365-F454 HydrophobicContact CG-CZ 4.09Å
366	R	90.6	Very high	90.5	Very high	25 Å²	25	36.1 Å²	36.1	9%	0.094	18%	0.178	C	C	.	.			trans	-67.7	125.1	166.3	-67.3	-78.5	-80.3	124.5	-6.8	109	R283 V285 P373 M374 D431 F433	R283-R366 PolarHBondContact O-NH1 3.42Å; V285-R366 PolarHBondContact O-NH1 3.46Å; V285-R366 PolarHBondContact O-NH2 3.17Å; R366-P373 CarbonylContact O-C 3.59Å; R366-P373 VanDerWaalsContact O-CA 3.29Å; R366-P373 WeakPolarHBondContact O-CA 3.42Å; R366-M374 PolarHBondContact O-N 2.92Å; R366-D431 IonicContact CZ-OD1 3.53Å; R366-D431 IonicContact CZ-OD2 3.48Å; R366-D431 IonicContact NE-OD1 2.7Å; R366-D431 VanDerWaalsContact NH2-CG 3.33Å; R366-D431 IonicContact NH2-OD1 3.65Å; R366-D431 PolarHBondContact NH2-OD1 2.97Å; R366-D431 VanDerWaalsContact NH2-OD1 3.11Å; R366-D431 IonicContact NH2-OD2 3.25Å; R366-D431 PolarHBondContact NH2-OD2 3.06Å; R366-F433 HydrophobicContact CB-CE2 4.18Å
367	L	92.5	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-113.6	146.8	-169.2	-58.1	-179.3	0	0	0	112.1	R283 K284 Q365 V372 P373 F433 V498	R283-L367 HydrophobicContact CB-CB 4.36Å; R283-L367 HydrophobicContact CB-CD1 4.33Å; R283-L367 HydrophobicContact CB-CG 4.06Å; R283-L367 PolarHBondContact O-N 3.33Å; K284-L367 WeakPolarHBondContact CA-O 3.46Å; K284-L367 HydrophobicContact CG-CB 4.04Å; Q365-L367 HydrophobicContact CB-CD2 4.41Å; Q365-L367 WeakPolarHBondContact O-CG 3.38Å; Q365-L367 PolarHBondContact O-N 3.49Å; L367-V372 CarbonylContact C-O 3.55Å; L367-V372 WeakPolarHBondContact CA-O 3.3Å; L367-P373 HydrophobicContact CD2-CG 4.23Å; L367-F433 WeakPolarHBondContact O-CZ 3.14Å; L367-V498 HydrophobicContact CD1-CG2 3.79Å; L367-V498 HydrophobicContact CD2-CG1 3.82Å; L367-V498 HydrophobicContact CD2-CG2 4.39Å
368	S	91.3	Very high	91.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.			trans	-70.7	176	164.8	77.1	0	0	0	0	112.1	K284 D370 D371 V372 E377	K284-S368 WeakPolarHBondContact CD-O 3.46Å; K284-S368 VanDerWaalsContact CE-O 3.28Å; K284-S368 WeakPolarHBondContact CE-O 3.49Å; S368-D370 PolarHBondContact O-N 3.43Å; S368-D370 PolarHBondContact OG-N 3.29Å; S368-D371 PolarHBondContact O-N 2.73Å; S368-V372 WeakPolarHBondContact CB-O 3.44Å; S368-V372 PolarHBondContact N-O 2.75Å; S368-V372 PolarHBondContact OG-N 2.98Å; S368-V372 PolarHBondContact OG-O 3.06Å; S368-E377 WeakPolarHBondContact CB-OE2 3.46Å
369	S	90.4	Very high	92.5	Very high	14 Å²	14	23 Å²	23	10%	0.098	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35	170.8	52.8	0	0	0	0	112.3	K284 E330 D371	K284-S369 PolarHBondContact NZ-O 2.93Å; E330-S369 WeakPolarHBondContact OE2-CB 3.33Å; E330-S369 PolarHBondContact OE2-OG 3.3Å; S369-D371 PolarHBondContact O-N 3.03Å
370	D	91.3	Very high	93.1	Very high	78 Å²	78	21.9 Å²	21.9	42%	0.417	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	10.3	178	-67.8	-22.2	0	0	0	114.6	S368 V372 A501	S368-D370 PolarHBondContact O-N 3.43Å; S368-D370 PolarHBondContact OG-N 3.29Å; D370-V372 HydrophobicContact CB-CG2 4.28Å; D370-V372 PolarHBondContact O-N 2.89Å; D370-A501 WeakPolarHBondContact O-CB 3.43Å
371	D	95	Very high	93.3	Very high	15 Å²	15	21 Å²	21	8%	0.08	11%	0.111	C	C	.	.	S	Bend	trans	63.7	22.9	-177.8	-56.5	-70.1	0	0	0	114.7	K284 S368 S369 R497 A501	K284-D371 WeakPolarHBondContact CE-OD1 3.47Å; K284-D371 VanDerWaalsContact NZ-CG 3.26Å; K284-D371 IonicContact NZ-OD1 3.72Å; K284-D371 PolarHBondContact NZ-OD1 2.71Å; K284-D371 IonicContact NZ-OD2 3.31Å; K284-D371 PolarHBondContact NZ-OD2 2.82Å; S368-D371 PolarHBondContact O-N 2.73Å; S369-D371 PolarHBondContact O-N 3.03Å; D371-R497 HydrophobicContact CB-CG 4.35Å; D371-R497 VanDerWaalsContact CG-CZ 3.43Å; D371-R497 VanDerWaalsContact CG-NH2 3.3Å; D371-R497 IonicContact OD1-CZ 2.69Å; D371-R497 IonicContact OD1-NE 2.82Å; D371-R497 PolarHBondContact OD1-NE 2.86Å; D371-R497 VanDerWaalsContact OD1-NE 3.16Å; D371-R497 IonicContact OD1-NH1 3.61Å; D371-R497 IonicContact OD1-NH2 2.79Å; D371-R497 PolarHBondContact OD1-NH2 2.89Å; D371-R497 VanDerWaalsContact OD1-NH2 3.11Å; D371-R497 IonicContact OD2-CZ 2.67Å; D371-R497 IonicContact OD2-NE 3.72Å; D371-R497 PolarHBondContact OD2-NE 3.08Å; D371-R497 IonicContact OD2-NH2 3.25Å; D371-R497 PolarHBondContact OD2-NH2 2.82Å; D371-A501 HydrophobicContact CB-CB 3.99Å
372	V	95.8	Very high	93.4	Very high	4 Å²	4	19 Å²	19	2%	0.024	10%	0.099	C	C	.	.			trans	-99.7	134	177	-179.3	0	0	0	0	109.1	L367 S368 D370 M374 V376 E377 A501 K505	L367-V372 CarbonylContact C-O 3.55Å; L367-V372 WeakPolarHBondContact CA-O 3.3Å; S368-V372 WeakPolarHBondContact CB-O 3.44Å; S368-V372 PolarHBondContact N-O 2.75Å; S368-V372 PolarHBondContact OG-N 2.98Å; S368-V372 PolarHBondContact OG-O 3.06Å; D370-V372 HydrophobicContact CB-CG2 4.28Å; D370-V372 PolarHBondContact O-N 2.89Å; V372-M374 PolarHBondContact O-N 3.26Å; V372-V376 HydrophobicContact CG1-CB 3.86Å; V372-V376 HydrophobicContact CG1-CG1 3.76Å; V372-E377 HydrophobicContact CG1-CB 4.42Å; V372-A501 HydrophobicContact CG2-CB 4.26Å; V372-K505 HydrophobicContact CG1-CG 4.44Å; V372-K505 HydrophobicContact CG2-CB 3.99Å; V372-K505 HydrophobicContact CG2-CG 4.29Å
373	P	94.6	Very high	93.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-53.5	134.6	173.5	-26.1	32.4	0	0	0	112.2	L362 Q365 R366 L367 I375 V376 E377 F454 V498 T502	L362-P373 HydrophobicContact CD1-CG 3.54Å; L362-P373 HydrophobicContact CG-CG 4.42Å; Q365-P373 HydrophobicContact CB-CB 3.97Å; Q365-P373 HydrophobicContact CB-CG 4.16Å; Q365-P373 HydrophobicContact CG-CB 4.32Å; Q365-P373 HydrophobicContact CG-CG 4.35Å; R366-P373 CarbonylContact O-C 3.59Å; R366-P373 VanDerWaalsContact O-CA 3.29Å; R366-P373 WeakPolarHBondContact O-CA 3.42Å; L367-P373 HydrophobicContact CD2-CG 4.23Å; P373-I375 HydrophobicContact CB-CG2 4.11Å; P373-I375 PolarHBondContact O-N 2.95Å; P373-V376 HydrophobicContact CB-CB 4.45Å; P373-V376 HydrophobicContact CB-CG2 4.13Å; P373-V376 HydrophobicContact CG-CG2 4.38Å; P373-V376 WeakPolarHBondContact O-CA 3.41Å; P373-V376 WeakPolarHBondContact O-CB 3.39Å; P373-V376 PolarHBondContact O-N 3.36Å; P373-E377 PolarHBondContact O-N 2.92Å; P373-F454 HydrophobicContact CB-CE1 4.41Å; P373-F454 HydrophobicContact CB-CZ 4.07Å; P373-F454 HydrophobicContact CG-CE1 4.49Å; P373-F454 HydrophobicContact CG-CZ 4.26Å; P373-V498 HydrophobicContact CG-CG1 4.46Å; P373-T502 WeakPolarHBondContact CD-OG1 3.22Å
374	M	91.3	Very high	93.5	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.03	9%	0.09	C	C	.	.	H	α-helix	trans	-58.3	-35.8	-174.5	-173.9	53.2	37.7	0	0	112.7	R366 V372 V376 E377 K378 P432 F433	R366-M374 PolarHBondContact O-N 2.92Å; V372-M374 PolarHBondContact O-N 3.26Å; M374-V376 VanDerWaalsContact C-N 3.32Å; M374-V376 PolarHBondContact O-N 3.19Å; M374-E377 WeakPolarHBondContact CE-OE2 3.5Å; M374-E377 PolarHBondContact O-N 2.84Å; M374-K378 HydrophobicContact CG-CG 4.18Å; M374-K378 WeakPolarHBondContact O-CB 3.39Å; M374-K378 WeakPolarHBondContact O-CG 3.47Å; M374-K378 PolarHBondContact O-N 3.47Å; M374-K378 HydrophobicContact SD-CD 4.29Å; M374-K378 VanDerWaalsContact SD-CE 3.58Å; M374-K378 HydrophobicContact SD-CG 3.84Å; M374-P432 HydrophobicContact CG-CB 4.27Å; M374-F433 HydrophobicContact CB-CD2 4.45Å; M374-F433 HydrophobicContact CB-CE2 4.19Å; M374-F433 HydrophobicContact CE-CD1 3.6Å; M374-F433 HydrophobicContact CE-CD2 4.5Å; M374-F433 HydrophobicContact CE-CE1 3.08Å; M374-F433 HydrophobicContact CE-CE2 4.05Å; M374-F433 HydrophobicContact CE-CG 4.34Å; M374-F433 HydrophobicContact CE-CZ 3.39Å; M374-F433 HydrophobicContact CG-CD1 4.23Å; M374-F433 HydrophobicContact CG-CD2 3.95Å; M374-F433 HydrophobicContact CG-CE1 4.42Å; M374-F433 HydrophobicContact CG-CE2 4.1Å; M374-F433 HydrophobicContact CG-CG 4.07Å; M374-F433 HydrophobicContact CG-CZ 4.39Å; M374-F433 HydrophobicContact SD-CD1 3.77Å; M374-F433 HydrophobicContact SD-CE1 3.92Å; M374-F433 HydrophobicContact SD-CG 4.19Å; M374-F433 HydrophobicContact SD-CZ 4.39Å
375	I	92.9	Very high	93.4	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-42.8	173	-177.7	163.8	0	0	0	112.1	P373 C379 Y407 L410 I411 V450 F454	P373-I375 HydrophobicContact CB-CG2 4.11Å; P373-I375 PolarHBondContact O-N 2.95Å; I375-C379 WeakPolarHBondContact O-CB 3.39Å; I375-C379 PolarHBondContact O-N 3.14Å; I375-C379 VanDerWaalsContact O-N 3.1Å; I375-C379 PolarHBondContact O-SG 2.99Å; I375-Y407 HydrophobicContact CD1-CD2 3.91Å; I375-Y407 HydrophobicContact CD1-CE2 4.01Å; I375-L410 HydrophobicContact CB-CB 4.21Å; I375-L410 HydrophobicContact CD1-CB 3.75Å; I375-L410 HydrophobicContact CD1-CD1 4.46Å; I375-L410 HydrophobicContact CG1-CB 3.83Å; I375-L410 HydrophobicContact CG1-CD1 4.07Å; I375-I411 HydrophobicContact CD1-CG2 3.71Å; I375-V450 HydrophobicContact CD1-CG1 4.21Å; I375-F454 HydrophobicContact CD1-CB 3.91Å; I375-F454 HydrophobicContact CD1-CD2 3.95Å; I375-F454 HydrophobicContact CD1-CG 4.06Å; I375-F454 HydrophobicContact CG1-CB 4.48Å; I375-F454 HydrophobicContact CG1-CG 4.44Å; I375-F454 HydrophobicContact CG2-CD1 3.99Å; I375-F454 HydrophobicContact CG2-CD2 3.61Å; I375-F454 HydrophobicContact CG2-CE1 3.94Å; I375-F454 HydrophobicContact CG2-CE2 3.54Å; I375-F454 HydrophobicContact CG2-CG 3.83Å; I375-F454 HydrophobicContact CG2-CZ 3.7Å
376	V	96.5	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-48.5	177.6	175.6	0	0	0	0	109.5	V372 P373 M374 K378 C379 L380 L451 F454 F455 T502	V372-V376 HydrophobicContact CG1-CB 3.86Å; V372-V376 HydrophobicContact CG1-CG1 3.76Å; P373-V376 HydrophobicContact CB-CB 4.45Å; P373-V376 HydrophobicContact CB-CG2 4.13Å; P373-V376 HydrophobicContact CG-CG2 4.38Å; P373-V376 WeakPolarHBondContact O-CA 3.41Å; P373-V376 WeakPolarHBondContact O-CB 3.39Å; P373-V376 PolarHBondContact O-N 3.36Å; M374-V376 VanDerWaalsContact C-N 3.32Å; M374-V376 PolarHBondContact O-N 3.19Å; V376-K378 PolarHBondContact O-N 3.22Å; V376-C379 PolarHBondContact O-N 3.49Å; V376-L380 HydrophobicContact CG1-CD1 3.53Å; V376-L380 HydrophobicContact CG1-CG 4.02Å; V376-L380 WeakPolarHBondContact O-CB 3.47Å; V376-L380 VanDerWaalsContact O-CG 3.23Å; V376-L380 WeakPolarHBondContact O-CG 3.48Å; V376-L380 PolarHBondContact O-N 3.26Å; V376-L451 HydrophobicContact CB-CD1 4.32Å; V376-L451 HydrophobicContact CG1-CD1 4.16Å; V376-L451 HydrophobicContact CG2-CD1 4.16Å; V376-F454 HydrophobicContact CG2-CD1 3.67Å; V376-F454 HydrophobicContact CG2-CE1 3.42Å; V376-F454 VanDerWaalsContact CG2-CE1 3.42Å; V376-F454 HydrophobicContact CG2-CZ 4.41Å; V376-F455 HydrophobicContact CG1-CZ 4.17Å; V376-F455 HydrophobicContact CG2-CE1 4.11Å; V376-F455 HydrophobicContact CG2-CE2 4.38Å; V376-F455 HydrophobicContact CG2-CZ 3.7Å; V376-T502 HydrophobicContact CG1-CG2 4.26Å; V376-T502 HydrophobicContact CG2-CG2 4.2Å
377	E	93.9	Very high	93.3	Very high	28 Å²	28	23.4 Å²	23.4	13%	0.131	12%	0.121	C	C	.	.	H	α-helix	trans	-59.3	-48.5	-179.8	-178.1	171.1	-146.9	0	0	112.5	S368 V372 P373 M374 C379 L380 N381	S368-E377 WeakPolarHBondContact CB-OE2 3.46Å; V372-E377 HydrophobicContact CG1-CB 4.42Å; P373-E377 PolarHBondContact O-N 2.92Å; M374-E377 WeakPolarHBondContact CE-OE2 3.5Å; M374-E377 PolarHBondContact O-N 2.84Å; E377-C379 PolarHBondContact O-N 2.6Å; E377-L380 PolarHBondContact O-N 2.93Å; E377-N381 WeakPolarHBondContact CG-ND2 3.47Å; E377-N381 VanDerWaalsContact O-CB 3.24Å; E377-N381 WeakPolarHBondContact O-CB 3.39Å; E377-N381 PolarHBondContact O-N 2.89Å; E377-N381 PolarHBondContact O-ND2 3.15Å
378	K	92.6	Very high	93.4	Very high	40 Å²	40	24.1 Å²	24.1	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-46.6	178.7	-68.8	-79.8	-175.6	163.1	0	111.6	M374 V376 F382 F433 V435 L437	M374-K378 HydrophobicContact CG-CG 4.18Å; M374-K378 WeakPolarHBondContact O-CB 3.39Å; M374-K378 WeakPolarHBondContact O-CG 3.47Å; M374-K378 PolarHBondContact O-N 3.47Å; M374-K378 HydrophobicContact SD-CD 4.29Å; M374-K378 VanDerWaalsContact SD-CE 3.58Å; M374-K378 HydrophobicContact SD-CG 3.84Å; V376-K378 PolarHBondContact O-N 3.22Å; K378-F382 VanDerWaalsContact O-CB 3.3Å; K378-F382 WeakPolarHBondContact O-CB 3.33Å; K378-F382 PolarHBondContact O-N 3.31Å; K378-F433 PolarHBondContact NZ-O 3.25Å; K378-V435 WeakPolarHBondContact CE-O 3.48Å; K378-V435 PolarHBondContact NZ-O 3.41Å; K378-L437 HydrophobicContact CB-CD1 4.18Å
379	C	96.4	Very high	93.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-47.6	-179.8	-67.9	0	0	0	0	111.6	I375 V376 E377 F382 I383 V447 L451	I375-C379 WeakPolarHBondContact O-CB 3.39Å; I375-C379 PolarHBondContact O-N 3.14Å; I375-C379 VanDerWaalsContact O-N 3.1Å; I375-C379 PolarHBondContact O-SG 2.99Å; V376-C379 PolarHBondContact O-N 3.49Å; E377-C379 PolarHBondContact O-N 2.6Å; C379-F382 PolarHBondContact O-N 3.29Å; C379-I383 WeakPolarHBondContact O-CD1 3.49Å; C379-I383 WeakPolarHBondContact O-CG1 3.36Å; C379-I383 PolarHBondContact O-N 3.36Å; C379-V447 HydrophobicContact CB-CG1 3.79Å; C379-L451 HydrophobicContact CB-CB 4Å; C379-L451 HydrophobicContact CB-CD1 4.09Å; C379-L451 HydrophobicContact CB-CG 4.48Å
380	L	97.4	Very high	93.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-45.4	-179.4	-67	-178.6	0	0	0	111.5	V376 E377 F382 I383 S384 L451 K505 L506 H509	V376-L380 HydrophobicContact CG1-CD1 3.53Å; V376-L380 HydrophobicContact CG1-CG 4.02Å; V376-L380 WeakPolarHBondContact O-CB 3.47Å; V376-L380 VanDerWaalsContact O-CG 3.23Å; V376-L380 WeakPolarHBondContact O-CG 3.48Å; V376-L380 PolarHBondContact O-N 3.26Å; E377-L380 PolarHBondContact O-N 2.93Å; L380-F382 VanDerWaalsContact C-N 3.33Å; L380-F382 PolarHBondContact O-N 3.41Å; L380-I383 PolarHBondContact O-N 2.71Å; L380-S384 WeakPolarHBondContact O-CB 3.33Å; L380-S384 PolarHBondContact O-N 2.91Å; L380-S384 PolarHBondContact O-OG 2.97Å; L380-L451 HydrophobicContact CD2-CD2 3.49Å; L380-L451 VanDerWaalsContact CD2-CD2 3.49Å; L380-L451 HydrophobicContact CG-CD2 4.34Å; L380-K505 HydrophobicContact CD1-CB 4.4Å; L380-K505 HydrophobicContact CD1-CG 3.77Å; L380-L506 HydrophobicContact CD2-CD1 4.11Å; L380-H509 HydrophobicContact CD1-CB 4.38Å; L380-H509 HydrophobicContact CD2-CB 3.83Å; L380-H509 VanDerWaalsContact CD2-CD2 3.45Å; L380-H509 WeakPolarHBondContact CD2-CD2 3.02Å
381	N	94	Very high	93.7	Very high	65 Å²	65	34 Å²	34	35%	0.348	16%	0.164	S	C	.	.	H	α-helix	trans	-60.9	-43.4	178.3	-70.8	-12.5	0	0	0	111.3	E377 I383 S384 I385	E377-N381 WeakPolarHBondContact CG-ND2 3.47Å; E377-N381 VanDerWaalsContact O-CB 3.24Å; E377-N381 WeakPolarHBondContact O-CB 3.39Å; E377-N381 PolarHBondContact O-N 2.89Å; E377-N381 PolarHBondContact O-ND2 3.15Å; N381-I383 PolarHBondContact O-N 3.5Å; N381-S384 PolarHBondContact O-N 3.29Å; N381-I385 VanDerWaalsContact O-CG1 3.28Å; N381-I385 WeakPolarHBondContact O-CG1 3.3Å; N381-I385 PolarHBondContact O-N 2.95Å; N381-I385 VanDerWaalsContact O-N 3.09Å
382	F	94.8	Very high	93.6	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-44.4	176.9	-178.3	-92.5	0	0	0	112.4	K378 C379 L380 I385 H386 L437 P439 H442 V444 V447	K378-F382 VanDerWaalsContact O-CB 3.3Å; K378-F382 WeakPolarHBondContact O-CB 3.33Å; K378-F382 PolarHBondContact O-N 3.31Å; C379-F382 PolarHBondContact O-N 3.29Å; L380-F382 VanDerWaalsContact C-N 3.33Å; L380-F382 PolarHBondContact O-N 3.41Å; F382-I385 PolarHBondContact O-N 3.35Å; F382-H386 AromaticContact CD2-CD2 3.71Å; F382-H386 AromaticContact CE2-CD2 3.61Å; F382-H386 PolarHBondContact O-N 3.25Å; F382-L437 HydrophobicContact CB-CB 4.3Å; F382-L437 HydrophobicContact CB-CD1 3.85Å; F382-L437 HydrophobicContact CD2-CB 3.42Å; F382-L437 VanDerWaalsContact CD2-CB 3.42Å; F382-L437 HydrophobicContact CD2-CD1 4.42Å; F382-L437 HydrophobicContact CE2-CB 3.89Å; F382-L437 HydrophobicContact CG-CB 3.97Å; F382-L437 HydrophobicContact CG-CD1 4.12Å; F382-P439 HydrophobicContact CZ-CB 4.46Å; F382-H442 HydrophobicContact CZ-CB 4.39Å; F382-H442 WeakPolarHBondContact CZ-O 3.49Å; F382-V444 HydrophobicContact CE1-CG2 4.19Å; F382-V447 HydrophobicContact CB-CG1 4.39Å; F382-V447 HydrophobicContact CD1-CB 3.91Å; F382-V447 HydrophobicContact CD1-CG1 3.86Å; F382-V447 HydrophobicContact CD1-CG2 3.68Å; F382-V447 HydrophobicContact CE1-CB 4.21Å; F382-V447 HydrophobicContact CE1-CG2 3.66Å; F382-V447 HydrophobicContact CG-CG1 4.42Å; F382-V447 HydrophobicContact CG-CG2 4.46Å; F382-V447 HydrophobicContact CZ-CG2 4.42Å
383	I	95.9	Very high	93.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.7	-36.6	179.3	-60.6	162.9	0	0	0	111.1	C379 L380 N381 I385 G387 L388 I393 V444 V447 A448 H509	C379-I383 WeakPolarHBondContact O-CD1 3.49Å; C379-I383 WeakPolarHBondContact O-CG1 3.36Å; C379-I383 PolarHBondContact O-N 3.36Å; L380-I383 PolarHBondContact O-N 2.71Å; N381-I383 PolarHBondContact O-N 3.5Å; I383-I385 VanDerWaalsContact C-N 3.26Å; I383-I385 PolarHBondContact O-N 3.5Å; I383-G387 CarbonylContact O-C 3.53Å; I383-G387 WeakPolarHBondContact O-CA 3.45Å; I383-G387 PolarHBondContact O-N 2.98Å; I383-L388 PolarHBondContact O-N 3.34Å; I383-I393 HydrophobicContact CG2-CD1 3.8Å; I383-I393 HydrophobicContact CG2-CG1 3.74Å; I383-V444 HydrophobicContact CG1-CG1 4.21Å; I383-V444 HydrophobicContact CG2-CG1 4.3Å; I383-V447 HydrophobicContact CD1-CG1 4.23Å; I383-V447 HydrophobicContact CG1-CG1 4.15Å; I383-A448 HydrophobicContact CD1-CB 3.88Å; I383-H509 VanDerWaalsContact CG2-CE1 3.46Å; I383-H509 WeakPolarHBondContact CG2-CE1 3.49Å
384	S	92.1	Very high	93.7	Very high	26 Å²	26	33.3 Å²	33.3	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-30.7	175.3	-74.3	0	0	0	0	112.1	L380 N381 L388 H509 E512	L380-S384 WeakPolarHBondContact O-CB 3.33Å; L380-S384 PolarHBondContact O-N 2.91Å; L380-S384 PolarHBondContact O-OG 2.97Å; N381-S384 PolarHBondContact O-N 3.29Å; S384-L388 WeakPolarHBondContact O-CD1 3.36Å; S384-L388 VanDerWaalsContact O-CG 3.31Å; S384-L388 WeakPolarHBondContact O-CG 3.5Å; S384-H509 PolarHBondContact OG-ND1 3.48Å; S384-E512 PolarHBondContact OG-OE2 2.85Å
385	I	89.4	Confident	93.9	Very high	119 Å²	119	41 Å²	41	61%	0.61	19%	0.19	S	C	*	.	H	α-helix	trans	-83.4	-45.8	178.3	-63.1	166.1	0	0	0	111.8	N381 F382 I383	N381-I385 VanDerWaalsContact O-CG1 3.28Å; N381-I385 WeakPolarHBondContact O-CG1 3.3Å; N381-I385 PolarHBondContact O-N 2.95Å; N381-I385 VanDerWaalsContact O-N 3.09Å; F382-I385 PolarHBondContact O-N 3.35Å; I383-I385 VanDerWaalsContact C-N 3.26Å; I383-I385 PolarHBondContact O-N 3.5Å
386	H	90.4	Very high	93.8	Very high	81 Å²	81	44.6 Å²	44.6	38%	0.375	21%	0.209	S	C	.	.	H	α-helix	trans	-110.6	-17.1	-169.2	-58.4	-63.5	0	0	0	114.5	F382 V444	F382-H386 AromaticContact CD2-CD2 3.71Å; F382-H386 AromaticContact CE2-CD2 3.61Å; F382-H386 PolarHBondContact O-N 3.25Å; H386-V444 HydrophobicContact CB-CG2 4.25Å
387	G	91.5	Very high	93.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-16.7	-166	0	0	0	0	0	116.5	I383 R389 T390 V444	I383-G387 CarbonylContact O-C 3.53Å; I383-G387 WeakPolarHBondContact O-CA 3.45Å; I383-G387 PolarHBondContact O-N 2.98Å; G387-R389 PolarHBondContact O-N 3.47Å; G387-R389 VanDerWaalsContact O-N 3.16Å; G387-T390 WeakPolarHBondContact O-CB 3.32Å; G387-T390 PolarHBondContact O-N 3.32Å; G387-V444 VanDerWaalsContact CA-CG1 3.42Å
388	L	93	Very high	93.2	Very high	14 Å²	14	48 Å²	48	7%	0.073	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.2	-172	-64.8	-178.4	0	0	0	113.9	I383 S384 E512 V513 Y516 N520	I383-L388 PolarHBondContact O-N 3.34Å; S384-L388 WeakPolarHBondContact O-CD1 3.36Å; S384-L388 VanDerWaalsContact O-CG 3.31Å; S384-L388 WeakPolarHBondContact O-CG 3.5Å; L388-E512 HydrophobicContact CD2-CB 4.43Å; L388-V513 HydrophobicContact CD2-CG2 3.75Å; L388-Y516 HydrophobicContact CB-CD2 3.93Å; L388-Y516 HydrophobicContact CB-CE2 4.16Å; L388-Y516 HydrophobicContact CB-CG 4.25Å; L388-Y516 HydrophobicContact CD1-CD2 4.22Å; L388-Y516 HydrophobicContact CD1-CE2 3.75Å; L388-Y516 VanDerWaalsContact O-CB 3.31Å; L388-Y516 WeakPolarHBondContact O-CB 3.45Å; L388-N520 WeakPolarHBondContact O-CB 3.48Å; L388-N520 PolarHBondContact O-ND2 3.23Å
389	R	92.3	Very high	93.1	Very high	131 Å²	131	50 Å²	50	49%	0.494	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.2	178.3	-58.5	-175.8	-175.6	-138.6	8.3	113.8	G387 Y516 I519 D592	G387-R389 PolarHBondContact O-N 3.47Å; G387-R389 VanDerWaalsContact O-N 3.16Å; R389-Y516 HydrophobicContact CG-CD1 3.97Å; R389-Y516 HydrophobicContact CG-CE1 4.31Å; R389-I519 HydrophobicContact CB-CG2 4.14Å; R389-I519 WeakPolarHBondContact O-CG2 3.06Å; R389-D592 IonicContact CZ-OD2 2.78Å; R389-D592 IonicContact NE-OD2 2.67Å; R389-D592 IonicContact NH2-OD2 3.86Å; R389-D592 PolarHBondContact NH2-OD2 2.88Å
390	T	93.3	Very high	92.9	Very high	40 Å²	40	54.7 Å²	54.7	25%	0.245	28%	0.282	C	S	.	.	S	Bend	trans	-80.8	124.4	-177.6	-60.1	0	0	0	0	110.2	G387 G392 I393 N520	G387-T390 WeakPolarHBondContact O-CB 3.32Å; G387-T390 PolarHBondContact O-N 3.32Å; T390-G392 PolarHBondContact O-N 3.37Å; T390-I393 PolarHBondContact O-N 3.11Å; T390-N520 VanDerWaalsContact O-CB 3.26Å; T390-N520 WeakPolarHBondContact O-CB 3.25Å
391	E	94.7	Very high	92.6	Very high	130 Å²	130	58.3 Å²	58.3	61%	0.607	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	133.7	178.7	-169.5	177.8	161.5	0	0	112.2	I393 H445 N520 K521	E391-I393 VanDerWaalsContact C-N 3.27Å; E391-I393 PolarHBondContact O-N 2.96Å; E391-H445 PolarHBondContact O-CE1 3.15Å; E391-N520 WeakPolarHBondContact CA-O 3.46Å; E391-K521 HydrophobicContact CG-CB 4.49Å; E391-K521 HydrophobicContact CG-CG 4.06Å
392	G	93.5	Very high	92.5	Very high	4 Å²	4	60.6 Å²	60.6	4%	0.041	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	23.6	177.3	0	0	0	0	0	114.2	T390 R395 L396 N520	T390-G392 PolarHBondContact O-N 3.37Å; G392-R395 WeakPolarHBondContact O-CB 3.13Å; G392-R395 PolarHBondContact O-N 3.3Å; G392-L396 PolarHBondContact O-N 3.1Å; G392-N520 PolarHBondContact N-O 3.25Å
393	I	96.7	Very high	92.3	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	141.2	173.3	-173	55.1	0	0	0	111.3	I383 T390 E391 R395 V444 A448 V513 N520 M522	I383-I393 HydrophobicContact CG2-CD1 3.8Å; I383-I393 HydrophobicContact CG2-CG1 3.74Å; T390-I393 PolarHBondContact O-N 3.11Å; E391-I393 VanDerWaalsContact C-N 3.27Å; E391-I393 PolarHBondContact O-N 2.96Å; I393-R395 PolarHBondContact O-N 2.95Å; I393-V444 HydrophobicContact CD1-CB 4.46Å; I393-V444 HydrophobicContact CD1-CG1 3.38Å; I393-A448 HydrophobicContact CD1-CB 3.95Å; I393-V513 HydrophobicContact CG2-CG1 3.67Å; I393-N520 HydrophobicContact CG2-CB 4.2Å; I393-M522 HydrophobicContact CG2-CG 4.04Å; I393-M522 WeakPolarHBondContact O-CG 3.41Å
394	H	96	Very high	92.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-21.4	-168.9	-61.2	-65.8	0	0	0	116.6	R452 H509 L527 F531	H394-R452 PolarHBondContact O-NH1 3.31Å; H394-H509 AromaticContact CE1-NE2 3.59Å; H394-H509 AromaticContact NE2-CD2 3.47Å; H394-H509 PolarHBondContact NE2-CD2 3.4Å; H394-H509 AromaticContact NE2-NE2 2.92Å; H394-H509 PolarHBondContact NE2-NE2 3.29Å; H394-L527 HydrophobicContact CB-CD2 4.12Å; H394-F531 HydrophobicContact CB-CE2 3.85Å; H394-F531 HydrophobicContact CB-CZ 4.38Å; H394-F531 AromaticContact CE1-CZ 3.98Å; H394-F531 AromaticContact CG-CE2 3.73Å; H394-F531 AromaticContact CG-CZ 3.96Å; H394-F531 AromaticContact ND1-CE2 3.85Å; H394-F531 AromaticContact ND1-CZ 3.55Å
395	R	93.6	Very high	92	Very high	168 Å²	168	68.7 Å²	68.7	63%	0.634	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-51.5	175.5	-177.7	-177.6	166.6	-143.3	-2.7	112	G392 I393 M522 I530	G392-R395 WeakPolarHBondContact O-CB 3.13Å; G392-R395 PolarHBondContact O-N 3.3Å; I393-R395 PolarHBondContact O-N 2.95Å; R395-M522 HydrophobicContact CB-CE 3.85Å; R395-M522 HydrophobicContact CB-SD 3.91Å; R395-I530 HydrophobicContact CB-CD1 3.7Å; R395-I530 HydrophobicContact CG-CD1 4.29Å
396	L	92.1	Very high	92	Very high	80 Å²	80	63.3 Å²	63.3	42%	0.419	33%	0.325	S	S	.	.	S	Bend	trans	-74.8	144.8	-179.2	-60.7	-179.9	0	0	0	110.6	G392	G392-L396 PolarHBondContact O-N 3.1Å
397	S	89.8	Confident	92	Very high	85 Å²	85	60 Å²	60	59%	0.594	31%	0.309	S	S	*	.			trans	-106.2	143.3	-178.5	-61.4	0	0	0	0	111.5	S449 R452	S397-S449 WeakPolarHBondContact CA-OG 3.34Å; S397-R452 PolarHBondContact OG-NH2 2.74Å
398	G	86.9	Confident	91.8	Very high	15 Å²	15	62.8 Å²	62.8	16%	0.155	33%	0.326	C	S	.	.			trans	-78.4	-176.5	171.6	0	0	0	0	0	112.6	T400 I403 S449	G398-T400 PolarHBondContact O-N 2.99Å; G398-I403 WeakPolarHBondContact O-CD1 3.36Å; G398-S449 PolarHBondContact N-OG 2.99Å
399	T	91.2	Very high	91.4	Very high	81 Å²	81	64.1 Å²	64.1	50%	0.497	33%	0.333	S	S	.	.			trans	-68.5	127.2	176.2	-46.8	0	0	0	0	111.2	S401 K402 I403	T399-S401 VanDerWaalsContact C-N 3.34Å; T399-S401 WeakPolarHBondContact CG2-OG 3.21Å; T399-S401 PolarHBondContact O-N 3.24Å; T399-K402 PolarHBondContact O-N 3.47Å; T399-I403 WeakPolarHBondContact O-CG1 3.26Å; T399-I403 PolarHBondContact O-N 3.17Å
400	T	92.4	Very high	91.1	Very high	98 Å²	98	58 Å²	58	60%	0.601	31%	0.311	S	S	*	.	H	α-helix	trans	-53.3	-44.1	-176.3	-46.3	0	0	0	0	113.7	G398 K402 I403 D404	G398-T400 PolarHBondContact O-N 2.99Å; T400-K402 PolarHBondContact O-N 3.41Å; T400-I403 WeakPolarHBondContact O-CB 3.26Å; T400-I403 PolarHBondContact O-N 3.23Å; T400-I403 VanDerWaalsContact O-N 3.14Å; T400-D404 PolarHBondContact O-N 2.9Å
401	S	91.6	Very high	90.6	Very high	80 Å²	80	58.6 Å²	58.6	56%	0.559	31%	0.311	S	S	*	.	H	α-helix	trans	-60	-43.5	177.7	54.5	0	0	0	0	112.7	T399 I403 D404 E405	T399-S401 VanDerWaalsContact C-N 3.34Å; T399-S401 WeakPolarHBondContact CG2-OG 3.21Å; T399-S401 PolarHBondContact O-N 3.24Å; S401-I403 VanDerWaalsContact C-N 3.34Å; S401-D404 PolarHBondContact O-N 2.98Å; S401-E405 WeakPolarHBondContact O-CB 3.43Å; S401-E405 PolarHBondContact O-N 2.91Å
402	K	90.4	Very high	89.4	Confident	113 Å²	113	52.7 Å²	52.7	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-67.3	-35.2	176.2	-65.2	-171.5	175.1	-172.1	0	111.9	T399 T400 L406 T446	T399-K402 PolarHBondContact O-N 3.47Å; T400-K402 PolarHBondContact O-N 3.41Å; K402-L406 VanDerWaalsContact O-CB 3.23Å; K402-L406 WeakPolarHBondContact O-CB 3.19Å; K402-L406 PolarHBondContact O-N 2.79Å; K402-T446 HydrophobicContact CB-CG2 3.9Å
403	I	92.2	Very high	87.7	Confident	17 Å²	17	53.3 Å²	53.3	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-47	174.5	-65.1	165.5	0	0	0	109.8	G398 T399 T400 S401 Y407 T446 V450 K453	G398-I403 WeakPolarHBondContact O-CD1 3.36Å; T399-I403 WeakPolarHBondContact O-CG1 3.26Å; T399-I403 PolarHBondContact O-N 3.17Å; T400-I403 WeakPolarHBondContact O-CB 3.26Å; T400-I403 PolarHBondContact O-N 3.23Å; T400-I403 VanDerWaalsContact O-N 3.14Å; S401-I403 VanDerWaalsContact C-N 3.34Å; I403-Y407 WeakPolarHBondContact O-CB 3.37Å; I403-Y407 PolarHBondContact O-N 3.39Å; I403-T446 HydrophobicContact CG1-CG2 3.95Å; I403-V450 HydrophobicContact CB-CG2 4.27Å; I403-V450 HydrophobicContact CG2-CG2 3.84Å; I403-K453 HydrophobicContact CG2-CD 3.86Å
404	D	91.3	Very high	85.4	Confident	68 Å²	68	57.8 Å²	57.8	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-41.7	-178.7	-67.3	-23.9	0	0	0	112.4	T400 S401 T408 K453	T400-D404 PolarHBondContact O-N 2.9Å; S401-D404 PolarHBondContact O-N 2.98Å; D404-T408 WeakPolarHBondContact O-CB 3.42Å; D404-T408 PolarHBondContact O-N 3.4Å; D404-T408 PolarHBondContact O-OG1 3.08Å; D404-K453 IonicContact OD1-NZ 2.71Å; D404-K453 PolarHBondContact OD1-NZ 3.28Å
405	E	88.9	Confident	82.7	Confident	119 Å²	119	61.9 Å²	61.9	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-61.7	-54.1	175.3	-177.8	175.1	-166.8	0	0	111	S401 Y407 T408 L409	S401-E405 WeakPolarHBondContact O-CB 3.43Å; S401-E405 PolarHBondContact O-N 2.91Å; E405-Y407 PolarHBondContact O-N 3.39Å; E405-T408 PolarHBondContact O-N 3.33Å; E405-L409 HydrophobicContact CG-CD1 4.2Å; E405-L409 WeakPolarHBondContact O-CG 3.21Å; E405-L409 PolarHBondContact O-N 2.98Å
406	L	90.1	Very high	80.2	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-40	-178.1	-178.9	57.6	0	0	0	112.1	K402 T408 L409 L410 L437 T446 V447 V450	K402-L406 VanDerWaalsContact O-CB 3.23Å; K402-L406 WeakPolarHBondContact O-CB 3.19Å; K402-L406 PolarHBondContact O-N 2.79Å; L406-T408 PolarHBondContact O-N 3.08Å; L406-L409 PolarHBondContact O-N 3.1Å; L406-L410 HydrophobicContact CD1-CD1 4Å; L406-L410 HydrophobicContact CD1-CG 4.1Å; L406-L410 HydrophobicContact CG-CD1 4.02Å; L406-L410 WeakPolarHBondContact O-CG 3.49Å; L406-L410 PolarHBondContact O-N 2.88Å; L406-L437 HydrophobicContact CD1-CD2 3.73Å; L406-L437 HydrophobicContact CD2-CD2 4.29Å; L406-T446 HydrophobicContact CD2-CG2 4.44Å; L406-V447 HydrophobicContact CD2-CG2 4Å; L406-V450 HydrophobicContact CB-CG2 4.03Å; L406-V450 HydrophobicContact CD2-CG2 4.04Å; L406-V450 HydrophobicContact CG-CG2 4.09Å
407	Y	91.2	Very high	77.4	Confident	11 Å²	11	61 Å²	61	4%	0.043	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-50.2	173.9	178.5	-103.9	0	0	0	110.8	I375 I403 E405 L409 L410 I411 V450 K453 F454 Q457	I375-Y407 HydrophobicContact CD1-CD2 3.91Å; I375-Y407 HydrophobicContact CD1-CE2 4.01Å; I403-Y407 WeakPolarHBondContact O-CB 3.37Å; I403-Y407 PolarHBondContact O-N 3.39Å; E405-Y407 PolarHBondContact O-N 3.39Å; Y407-L409 VanDerWaalsContact C-N 3.28Å; Y407-L409 PolarHBondContact O-N 2.99Å; Y407-L410 PolarHBondContact O-N 3.19Å; Y407-L410 VanDerWaalsContact O-N 3.1Å; Y407-I411 HydrophobicContact CD1-CD1 4.17Å; Y407-I411 HydrophobicContact CD1-CG1 4.39Å; Y407-I411 HydrophobicContact CD2-CG2 4.1Å; Y407-I411 HydrophobicContact CE1-CD1 3.55Å; Y407-I411 HydrophobicContact CE1-CG1 4.14Å; Y407-I411 HydrophobicContact CE1-CG2 4.19Å; Y407-I411 HydrophobicContact CE2-CG2 3.57Å; Y407-I411 WeakPolarHBondContact O-CG1 3.08Å; Y407-I411 PolarHBondContact O-N 3.24Å; Y407-V450 HydrophobicContact CD2-CG1 4.18Å; Y407-K453 HydrophobicContact CD1-CD 4.36Å; Y407-K453 HydrophobicContact CD2-CD 4.34Å; Y407-K453 HydrophobicContact CD2-CG 4.41Å; Y407-K453 HydrophobicContact CG-CD 4.07Å; Y407-F454 HydrophobicContact CD2-CB 4.48Å; Y407-F454 HydrophobicContact CE2-CB 3.89Å; Y407-F454 HydrophobicContact CE2-CD2 4.23Å; Y407-Q457 PolarHBondContact OH-OE1 3.15Å
408	T	87.3	Confident	74.8	Confident	59 Å²	59	65 Å²	65	36%	0.362	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-39.9	178.9	-57.6	0	0	0	0	111.9	D404 E405 L406 T412	D404-T408 WeakPolarHBondContact O-CB 3.42Å; D404-T408 PolarHBondContact O-N 3.4Å; D404-T408 PolarHBondContact O-OG1 3.08Å; E405-T408 PolarHBondContact O-N 3.33Å; L406-T408 PolarHBondContact O-N 3.08Å; T408-T412 WeakPolarHBondContact O-CB 2.84Å; T408-T412 PolarHBondContact O-N 3.17Å; T408-T412 VanDerWaalsContact O-N 3.08Å; T408-T412 PolarHBondContact O-OG1 3.44Å
409	L	84.2	Confident	72.3	Confident	43 Å²	43	71.7 Å²	71.7	23%	0.225	37%	0.369	C	S	.	.	H	α-helix	trans	-64.7	-36.4	176.4	-70.7	171.8	0	0	0	112.8	E405 L406 Y407	E405-L409 HydrophobicContact CG-CD1 4.2Å; E405-L409 WeakPolarHBondContact O-CG 3.21Å; E405-L409 PolarHBondContact O-N 2.98Å; L406-L409 PolarHBondContact O-N 3.1Å; Y407-L409 VanDerWaalsContact C-N 3.28Å; Y407-L409 PolarHBondContact O-N 2.99Å
410	L	86.6	Confident	69.5	Low	3 Å²	3	74.9 Å²	74.9	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-85.2	-24.8	-177.6	-70.2	174.9	0	0	0	114.1	I375 L406 Y407 P432 V435 V450	I375-L410 HydrophobicContact CB-CB 4.21Å; I375-L410 HydrophobicContact CD1-CB 3.75Å; I375-L410 HydrophobicContact CD1-CD1 4.46Å; I375-L410 HydrophobicContact CG1-CB 3.83Å; I375-L410 HydrophobicContact CG1-CD1 4.07Å; L406-L410 HydrophobicContact CD1-CD1 4Å; L406-L410 HydrophobicContact CD1-CG 4.1Å; L406-L410 HydrophobicContact CG-CD1 4.02Å; L406-L410 WeakPolarHBondContact O-CG 3.49Å; L406-L410 PolarHBondContact O-N 2.88Å; Y407-L410 PolarHBondContact O-N 3.19Å; Y407-L410 VanDerWaalsContact O-N 3.1Å; L410-P432 VanDerWaalsContact O-CB 3.26Å; L410-P432 WeakPolarHBondContact O-CB 3.32Å; L410-P432 WeakPolarHBondContact O-CG 3.47Å; L410-V435 HydrophobicContact CD2-CB 3.86Å; L410-V435 HydrophobicContact CD2-CG1 3.75Å; L410-V435 HydrophobicContact CD2-CG2 4.3Å; L410-V450 HydrophobicContact CD1-CG1 4.1Å
411	I	81.4	Confident	66.7	Low	51 Å²	51	81 Å²	81	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-91.5	-24.8	175.8	64.4	156.4	0	0	0	113.4	I375 Y407 F454	I375-I411 HydrophobicContact CD1-CG2 3.71Å; Y407-I411 HydrophobicContact CD1-CD1 4.17Å; Y407-I411 HydrophobicContact CD1-CG1 4.39Å; Y407-I411 HydrophobicContact CD2-CG2 4.1Å; Y407-I411 HydrophobicContact CE1-CD1 3.55Å; Y407-I411 HydrophobicContact CE1-CG1 4.14Å; Y407-I411 HydrophobicContact CE1-CG2 4.19Å; Y407-I411 HydrophobicContact CE2-CG2 3.57Å; Y407-I411 WeakPolarHBondContact O-CG1 3.08Å; Y407-I411 PolarHBondContact O-N 3.24Å; I411-F454 HydrophobicContact CG2-CD2 4.47Å
412	T	69.6	Low	64.1	Low	6 Å²	6	80.8 Å²	80.8	4%	0.037	39%	0.394	C	S	.	.			trans	-108.8	120.4	-170.6	-55.8	0	0	0	0	110.8	T408 K414	T408-T412 WeakPolarHBondContact O-CB 2.84Å; T408-T412 PolarHBondContact O-N 3.17Å; T408-T412 VanDerWaalsContact O-N 3.08Å; T408-T412 PolarHBondContact O-OG1 3.44Å; T412-K414 HydrophobicContact CG2-CB 3.74Å; T412-K414 HydrophobicContact CG2-CG 4.23Å; T412-K414 PolarHBondContact O-N 3.33Å
413	S	58.3	Low	61.5	Low	17 Å²	17	81.6 Å²	81.6	12%	0.119	41%	0.411	C	S	.	.			trans	-65.6	78.4	154.3	-60.1	0	0	0	0	109.2	L355 T430 P432	L355-S413 PolarHBondContact O-OG 2.97Å; L355-S413 VanDerWaalsContact O-OG 3.12Å; S413-T430 VanDerWaalsContact CA-O 3.23Å; S413-T430 WeakPolarHBondContact CA-O 3.36Å; S413-P432 WeakPolarHBondContact OG-CD 3.39Å
414	K	48.5	Very low	59.1	Low	95 Å²	95	87.1 Å²	87.1	41%	0.413	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.4	-173.5	-158.1	172.5	179.8	176.3	0	108.2	T412 K416 T430	T412-K414 HydrophobicContact CG2-CB 3.74Å; T412-K414 HydrophobicContact CG2-CG 4.23Å; T412-K414 PolarHBondContact O-N 3.33Å; K414-K416 VanDerWaalsContact C-N 3.27Å; K414-K416 PolarHBondContact O-N 3.46Å; K414-T430 PolarHBondContact N-O 2.86Å; K414-T430 PolarHBondContact O-N 3.47Å
415	L	38.9	Very low	56.3	Low	86 Å²	86	91.5 Å²	91.5	45%	0.45	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	96.1	151.2	-123.6	86.3	0	0	0	105.9	L417 A427 F429	L415-L417 HydrophobicContact CD2-CD1 4.26Å; L415-L417 PolarHBondContact O-N 3.28Å; L415-A427 HydrophobicContact CD1-CB 3.77Å; L415-A427 HydrophobicContact CD2-CB 3.65Å; L415-A427 HydrophobicContact CG-CB 3.59Å; L415-F429 HydrophobicContact CD1-CD2 4.14Å
416	K	40.6	Very low	53.8	Low	101 Å²	101	93 Å²	93	44%	0.439	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	92.2	160.7	-111.6	-179.1	179.4	177.2	0	105.5	K414 F418	K414-K416 VanDerWaalsContact C-N 3.27Å; K414-K416 PolarHBondContact O-N 3.46Å; K416-F418 VanDerWaalsContact C-N 3.31Å; K416-F418 PolarHBondContact O-N 2.89Å
417	L	33.5	Very low	51.4	Low	128 Å²	128	95 Å²	95	67%	0.67	48%	0.481	S	S	*	.			trans	-61.3	102.2	158.6	-105.4	128.6	0	0	0	105.4	L415 I419	L415-L417 HydrophobicContact CD2-CD1 4.26Å; L415-L417 PolarHBondContact O-N 3.28Å; L417-I419 VanDerWaalsContact C-N 3.28Å; L417-I419 HydrophobicContact CB-CG1 4.44Å; L417-I419 PolarHBondContact O-N 3.33Å
418	F	35.7	Very low	49.1	Very low	169 Å²	169	98.3 Å²	98.3	74%	0.741	50%	0.502	S	S	*	.			trans	-61.7	102.6	158.7	-102	-95.6	0	0	0	105.4	K416 H420	K416-F418 VanDerWaalsContact C-N 3.31Å; K416-F418 PolarHBondContact O-N 2.89Å; F418-H420 PolarHBondContact O-N 3.03Å
419	I	34	Very low	47	Very low	156 Å²	156	97.9 Å²	97.9	80%	0.8	50%	0.495	S	S	*	.	S	Bend	trans	-69.8	-9.6	177.1	-69.2	172.7	0	0	0	110.7	L417	L417-I419 VanDerWaalsContact C-N 3.28Å; L417-I419 HydrophobicContact CB-CG1 4.44Å; L417-I419 PolarHBondContact O-N 3.33Å
420	H	32.7	Very low	45.5	Very low	148 Å²	148	97.2 Å²	97.2	69%	0.685	49%	0.493	S	S	*	.	S	Bend	trans	-107	110.7	171.7	-106.3	133.3	0	0	0	109.8	F418	F418-H420 PolarHBondContact O-N 3.03Å
421	W	34.4	Very low	44.6	Very low	225 Å²	225	97.2 Å²	97.2	85%	0.852	49%	0.493	S	S	*	.	S	Bend	trans	105.1	101.7	156.3	-54.3	27.8	0	0	0	114.2
422	A	35.9	Very low	44.1	Very low	77 Å²	77	95 Å²	95	64%	0.636	48%	0.482	S	S	*	.			trans	60.9	124.6	166.6	0	0	0	0	0	118.3	I424	A422-I424 PolarHBondContact O-N 3.31Å
423	P	37.2	Very low	44.4	Very low	129 Å²	129	95.4 Å²	95.4	84%	0.838	48%	0.483	S	S	*	.			trans	-71.6	19.4	178.9	30.9	-33.8	0	0	0	114.5	L425	P423-L425 PolarHBondContact O-N 2.96Å
424	I	40.5	Very low	45.1	Very low	133 Å²	133	101.1 Å²	101.1	68%	0.682	50%	0.502	S	S	*	.	S	Bend	trans	-80.1	71.5	172.2	-56.9	172.3	0	0	0	108.2	A422 Y426	A422-I424 PolarHBondContact O-N 3.31Å; I424-Y426 PolarHBondContact O-N 3.43Å
425	L	32.4	Very low	46.5	Very low	161 Å²	161	97.4 Å²	97.4	84%	0.843	49%	0.487	S	S	*	.			trans	43.6	21.9	136.1	-123.8	84.4	0	0	0	120.9	P423 A427	P423-L425 PolarHBondContact O-N 2.96Å; L425-A427 PolarHBondContact O-N 2.83Å; L425-A427 VanDerWaalsContact O-N 3.08Å
426	Y	37.8	Very low	48.6	Very low	149 Å²	149	99.8 Å²	99.8	58%	0.584	50%	0.496	S	S	*	.			trans	-85.4	68.4	159.3	-79.1	-86.3	0	0	0	109.1	V294 I424 V428	V294-Y426 WeakPolarHBondContact CG1-OH 3.47Å; V294-Y426 WeakPolarHBondContact CG2-OH 3.3Å; I424-Y426 PolarHBondContact O-N 3.43Å; Y426-V428 PolarHBondContact O-N 3.18Å
427	A	38.6	Very low	50.9	Low	49 Å²	49	96 Å²	96	41%	0.405	48%	0.48	S	S	.	.			trans	-58.9	88.2	152.7	0	0	0	0	0	107	L415 L425 F429	L415-A427 HydrophobicContact CD1-CB 3.77Å; L415-A427 HydrophobicContact CD2-CB 3.65Å; L415-A427 HydrophobicContact CG-CB 3.59Å; L425-A427 PolarHBondContact O-N 2.83Å; L425-A427 VanDerWaalsContact O-N 3.08Å; A427-F429 PolarHBondContact O-N 3.35Å
428	V	42.3	Very low	53.4	Low	79 Å²	79	93.8 Å²	93.8	48%	0.479	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	93.8	168.9	-178.5	0	0	0	0	104.8	Y426 T430	Y426-V428 PolarHBondContact O-N 3.18Å; V428-T430 VanDerWaalsContact C-N 3.28Å; V428-T430 PolarHBondContact O-N 2.88Å
429	F	43.8	Very low	55.7	Low	51 Å²	51	89.1 Å²	89.1	22%	0.224	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	97.5	167.4	-166.1	-93.9	0	0	0	105.5	L355 S356 L415 A427 D431	L355-F429 HydrophobicContact CB-CZ 4.48Å; S356-F429 WeakPolarHBondContact OG-CE2 3.18Å; L415-F429 HydrophobicContact CD1-CD2 4.14Å; A427-F429 PolarHBondContact O-N 3.35Å; F429-D431 HydrophobicContact CD1-CB 3.91Å; F429-D431 HydrophobicContact CE1-CB 4.1Å; F429-D431 PolarHBondContact O-N 3.44Å
430	T	52.9	Low	57.9	Low	28 Å²	28	90.6 Å²	90.6	17%	0.172	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	81.5	173.3	-54	0	0	0	0	106.8	S413 K414 V428 V435	S413-T430 VanDerWaalsContact CA-O 3.23Å; S413-T430 WeakPolarHBondContact CA-O 3.36Å; K414-T430 PolarHBondContact N-O 2.86Å; K414-T430 PolarHBondContact O-N 3.47Å; V428-T430 VanDerWaalsContact C-N 3.28Å; V428-T430 PolarHBondContact O-N 2.88Å; T430-V435 HydrophobicContact CG2-CG2 4.17Å
431	D	66.8	Low	60.3	Low	4 Å²	4	89.4 Å²	89.4	2%	0.021	45%	0.453	C	S	.	.			trans	-66.6	134	172.5	-163.2	-48.7	0	0	0	109	R366 F429 F433 R434	R366-D431 IonicContact CZ-OD1 3.53Å; R366-D431 IonicContact CZ-OD2 3.48Å; R366-D431 IonicContact NE-OD1 2.7Å; R366-D431 VanDerWaalsContact NH2-CG 3.33Å; R366-D431 IonicContact NH2-OD1 3.65Å; R366-D431 PolarHBondContact NH2-OD1 2.97Å; R366-D431 VanDerWaalsContact NH2-OD1 3.11Å; R366-D431 IonicContact NH2-OD2 3.25Å; R366-D431 PolarHBondContact NH2-OD2 3.06Å; F429-D431 HydrophobicContact CD1-CB 3.91Å; F429-D431 HydrophobicContact CE1-CB 4.1Å; F429-D431 PolarHBondContact O-N 3.44Å; D431-F433 PolarHBondContact O-N 2.99Å; D431-F433 WeakPolarHBondContact OD1-CB 3.23Å; D431-F433 VanDerWaalsContact OD1-CD2 3.27Å; D431-F433 WeakPolarHBondContact OD1-CD2 3.28Å; D431-F433 PolarHBondContact OD1-N 3.49Å; D431-R434 HydrophobicContact CB-CG 4.2Å; D431-R434 WeakPolarHBondContact O-CA 3.11Å; D431-R434 WeakPolarHBondContact O-CB 3.48Å; D431-R434 PolarHBondContact O-N 2.88Å
432	P	71.1	Confident	62.8	Low	4 Å²	4	80.5 Å²	80.5	3%	0.026	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-45.8	-32.9	170.6	-32.8	37.4	0	0	0	114.3	M374 L410 S413 R434 V435	M374-P432 HydrophobicContact CG-CB 4.27Å; L410-P432 VanDerWaalsContact O-CB 3.26Å; L410-P432 WeakPolarHBondContact O-CB 3.32Å; L410-P432 WeakPolarHBondContact O-CG 3.47Å; S413-P432 WeakPolarHBondContact OG-CD 3.39Å; P432-R434 VanDerWaalsContact C-N 3.3Å; P432-R434 PolarHBondContact O-N 3.46Å; P432-V435 PolarHBondContact O-N 3.32Å
433	F	76.5	Confident	65.5	Low	15 Å²	15	79.6 Å²	79.6	7%	0.066	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-63.9	-32.8	176.2	-81.2	-95.5	0	0	0	113.8	Y286 R366 L367 M374 K378 D431 V435	Y286-F433 AromaticContact CD1-CD1 3.09Å; Y286-F433 HydrophobicContact CD1-CD1 3.09Å; Y286-F433 AromaticContact CD1-CE1 3.3Å; Y286-F433 HydrophobicContact CD1-CE1 3.3Å; Y286-F433 HydrophobicContact CD1-CG 4.09Å; Y286-F433 HydrophobicContact CD1-CZ 4.44Å; Y286-F433 HydrophobicContact CD2-CE1 4.05Å; Y286-F433 AromaticContact CE1-CD1 3.29Å; Y286-F433 HydrophobicContact CE1-CD1 3.29Å; Y286-F433 AromaticContact CE1-CE1 3.18Å; Y286-F433 HydrophobicContact CE1-CE1 3.18Å; Y286-F433 HydrophobicContact CE1-CZ 4.43Å; Y286-F433 AromaticContact CE2-CE1 3.96Å; Y286-F433 HydrophobicContact CE2-CE1 3.96Å; Y286-F433 AromaticContact CG-CD1 3.8Å; Y286-F433 HydrophobicContact CG-CD1 3.8Å; Y286-F433 AromaticContact CG-CE1 3.75Å; Y286-F433 HydrophobicContact CG-CE1 3.75Å; Y286-F433 AromaticContact CZ-CE1 3.56Å; R366-F433 HydrophobicContact CB-CE2 4.18Å; L367-F433 WeakPolarHBondContact O-CZ 3.14Å; M374-F433 HydrophobicContact CB-CD2 4.45Å; M374-F433 HydrophobicContact CB-CE2 4.19Å; M374-F433 HydrophobicContact CE-CD1 3.6Å; M374-F433 HydrophobicContact CE-CD2 4.5Å; M374-F433 HydrophobicContact CE-CE1 3.08Å; M374-F433 HydrophobicContact CE-CE2 4.05Å; M374-F433 HydrophobicContact CE-CG 4.34Å; M374-F433 HydrophobicContact CE-CZ 3.39Å; M374-F433 HydrophobicContact CG-CD1 4.23Å; M374-F433 HydrophobicContact CG-CD2 3.95Å; M374-F433 HydrophobicContact CG-CE1 4.42Å; M374-F433 HydrophobicContact CG-CE2 4.1Å; M374-F433 HydrophobicContact CG-CG 4.07Å; M374-F433 HydrophobicContact CG-CZ 4.39Å; M374-F433 HydrophobicContact SD-CD1 3.77Å; M374-F433 HydrophobicContact SD-CE1 3.92Å; M374-F433 HydrophobicContact SD-CG 4.19Å; M374-F433 HydrophobicContact SD-CZ 4.39Å; K378-F433 PolarHBondContact NZ-O 3.25Å; D431-F433 PolarHBondContact O-N 2.99Å; D431-F433 WeakPolarHBondContact OD1-CB 3.23Å; D431-F433 VanDerWaalsContact OD1-CD2 3.27Å; D431-F433 WeakPolarHBondContact OD1-CD2 3.28Å; D431-F433 PolarHBondContact OD1-N 3.49Å; F433-V435 VanDerWaalsContact C-N 3.33Å
434	R	72.5	Confident	68.2	Low	137 Å²	137	74.5 Å²	74.5	52%	0.517	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-83.5	-6.7	-179.4	-67.4	-174.5	177.9	-171.4	-0.3	113.5	S287 D431 P432 H436	S287-R434 PolarHBondContact OG-NH2 3.01Å; S287-R434 VanDerWaalsContact OG-NH2 3.15Å; D431-R434 HydrophobicContact CB-CG 4.2Å; D431-R434 WeakPolarHBondContact O-CA 3.11Å; D431-R434 WeakPolarHBondContact O-CB 3.48Å; D431-R434 PolarHBondContact O-N 2.88Å; P432-R434 VanDerWaalsContact C-N 3.3Å; P432-R434 PolarHBondContact O-N 3.46Å; R434-H436 PolarHBondContact O-CD2 2.82Å; R434-H436 PolarHBondContact O-N 3.01Å
435	V	79.1	Confident	70.9	Confident	16 Å²	16	70.2 Å²	70.2	10%	0.097	35%	0.353	C	S	.	.			trans	-74.9	118.7	173.1	-177	0	0	0	0	108.3	K378 L410 T430 P432 F433 L437	K378-V435 WeakPolarHBondContact CE-O 3.48Å; K378-V435 PolarHBondContact NZ-O 3.41Å; L410-V435 HydrophobicContact CD2-CB 3.86Å; L410-V435 HydrophobicContact CD2-CG1 3.75Å; L410-V435 HydrophobicContact CD2-CG2 4.3Å; T430-V435 HydrophobicContact CG2-CG2 4.17Å; P432-V435 PolarHBondContact O-N 3.32Å; F433-V435 VanDerWaalsContact C-N 3.33Å; V435-L437 HydrophobicContact CG1-CD2 4.08Å
436	H	82.1	Confident	73.9	Confident	137 Å²	137	62.8 Å²	62.8	63%	0.634	32%	0.315	S	S	*	.			trans	-105.6	118	174	-66.2	-77.9	0	0	0	108.1	R434	R434-H436 PolarHBondContact O-CD2 2.82Å; R434-H436 PolarHBondContact O-N 3.01Å
437	L	88.9	Confident	76.7	Confident	22 Å²	22	55.7 Å²	55.7	12%	0.115	29%	0.287	C	S	.	.			trans	-83.2	119.1	178.2	-56.9	178.5	0	0	0	108.7	K378 F382 L406 V435 H442 V447	K378-L437 HydrophobicContact CB-CD1 4.18Å; F382-L437 HydrophobicContact CB-CB 4.3Å; F382-L437 HydrophobicContact CB-CD1 3.85Å; F382-L437 HydrophobicContact CD2-CB 3.42Å; F382-L437 VanDerWaalsContact CD2-CB 3.42Å; F382-L437 HydrophobicContact CD2-CD1 4.42Å; F382-L437 HydrophobicContact CE2-CB 3.89Å; F382-L437 HydrophobicContact CG-CB 3.97Å; F382-L437 HydrophobicContact CG-CD1 4.12Å; L406-L437 HydrophobicContact CD1-CD2 3.73Å; L406-L437 HydrophobicContact CD2-CD2 4.29Å; V435-L437 HydrophobicContact CG1-CD2 4.08Å; L437-H442 VanDerWaalsContact CD2-CD2 3.44Å; L437-H442 WeakPolarHBondContact CD2-CD2 3.39Å; L437-V447 HydrophobicContact CD1-CG1 4.05Å; L437-V447 HydrophobicContact CD1-CG2 4.42Å
438	L	86.5	Confident	79.5	Confident	81 Å²	81	53.4 Å²	53.4	42%	0.424	27%	0.268	S	S	.	.			trans	-108.8	138.7	178.9	-63.4	173	0	0	0	110.3	E440 E441 H442	L438-E440 PolarHBondContact O-N 2.67Å; L438-E441 HydrophobicContact CB-CB 4.43Å; L438-E441 HydrophobicContact CB-CG 4.3Å; L438-E441 PolarHBondContact O-N 3.01Å; L438-H442 PolarHBondContact O-N 2.85Å
439	P	82.9	Confident	82.1	Confident	70 Å²	70	50 Å²	50	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.7	-178.6	25.7	-34.3	0	0	0	113.4	F382	F382-P439 HydrophobicContact CZ-CB 4.46Å
440	E	82	Confident	84.6	Confident	187 Å²	187	47.6 Å²	47.6	87%	0.874	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-33.4	177.3	-61.3	176	-164.3	0	0	112.3	L438	L438-E440 PolarHBondContact O-N 2.67Å
441	E	81.6	Confident	86.8	Confident	123 Å²	123	46.2 Å²	46.2	58%	0.575	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-29.2	-176.5	-61.6	-176.5	171.1	0	0	112.5	L438	L438-E441 HydrophobicContact CB-CB 4.43Å; L438-E441 HydrophobicContact CB-CG 4.3Å; L438-E441 PolarHBondContact O-N 3.01Å
442	H	87.2	Confident	88.1	Confident	39 Å²	39	47.6 Å²	47.6	18%	0.181	23%	0.234	C	C	.	.	S	Bend	trans	-128.2	117.5	-170.1	-59.3	-28.6	0	0	0	112.4	F382 L437 L438 V447	F382-H442 HydrophobicContact CZ-CB 4.39Å; F382-H442 WeakPolarHBondContact CZ-O 3.49Å; L437-H442 VanDerWaalsContact CD2-CD2 3.44Å; L437-H442 WeakPolarHBondContact CD2-CD2 3.39Å; L438-H442 PolarHBondContact O-N 2.85Å; H442-V447 HydrophobicContact CB-CG2 4.07Å
443	S	92.7	Very high	89.3	Confident	57 Å²	57	49.7 Å²	49.7	40%	0.399	24%	0.242	S	C	.	.			trans	-65	138.9	170.9	141.8	0	0	0	0	111.1	H445 T446 V447	S443-H445 PolarHBondContact O-N 3.28Å; S443-H445 PolarHBondContact OG-N 2.9Å; S443-T446 WeakPolarHBondContact O-CB 3.5Å; S443-T446 PolarHBondContact O-N 2.94Å; S443-T446 PolarHBondContact OG-N 3.25Å; S443-V447 PolarHBondContact O-N 3.02Å
444	V	95.3	Very high	90.3	Very high	23 Å²	23	49.1 Å²	49.1	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-38.4	175.9	-169.1	0	0	0	0	111.6	F382 I383 H386 G387 I393 T446 V447 A448	F382-V444 HydrophobicContact CE1-CG2 4.19Å; I383-V444 HydrophobicContact CG1-CG1 4.21Å; I383-V444 HydrophobicContact CG2-CG1 4.3Å; H386-V444 HydrophobicContact CB-CG2 4.25Å; G387-V444 VanDerWaalsContact CA-CG1 3.42Å; I393-V444 HydrophobicContact CD1-CB 4.46Å; I393-V444 HydrophobicContact CD1-CG1 3.38Å; V444-T446 VanDerWaalsContact C-N 3.35Å; V444-T446 PolarHBondContact O-N 3.38Å; V444-V447 PolarHBondContact O-N 3Å; V444-A448 WeakPolarHBondContact O-CB 2.95Å; V444-A448 PolarHBondContact O-N 3.21Å
445	H	96.1	Very high	91.5	Very high	42 Å²	42	42.7 Å²	42.7	19%	0.194	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-36.3	176.7	-58.9	-56.1	0	0	0	112.3	E391 S443 S449	E391-H445 PolarHBondContact O-CE1 3.15Å; S443-H445 PolarHBondContact O-N 3.28Å; S443-H445 PolarHBondContact OG-N 2.9Å; H445-S449 WeakPolarHBondContact O-CB 3.29Å; H445-S449 PolarHBondContact O-N 3.44Å; H445-S449 PolarHBondContact O-OG 2.96Å
446	T	95.6	Very high	92.2	Very high	6 Å²	6	45 Å²	45	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-49.6	173.3	-59.1	0	0	0	0	110.3	K402 I403 L406 S443 V444 A448 S449 V450	K402-T446 HydrophobicContact CB-CG2 3.9Å; I403-T446 HydrophobicContact CG1-CG2 3.95Å; L406-T446 HydrophobicContact CD2-CG2 4.44Å; S443-T446 WeakPolarHBondContact O-CB 3.5Å; S443-T446 PolarHBondContact O-N 2.94Å; S443-T446 PolarHBondContact OG-N 3.25Å; V444-T446 VanDerWaalsContact C-N 3.35Å; V444-T446 PolarHBondContact O-N 3.38Å; T446-A448 PolarHBondContact O-N 3.34Å; T446-S449 WeakPolarHBondContact O-CB 3.3Å; T446-S449 PolarHBondContact O-N 3.21Å; T446-S449 VanDerWaalsContact O-N 3.11Å; T446-V450 WeakPolarHBondContact O-CG2 3.23Å; T446-V450 PolarHBondContact O-N 3.13Å
447	V	96.7	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-43.6	179.8	-179.7	0	0	0	0	111.7	C379 F382 I383 L406 L437 H442 S443 V444 S449 V450 L451	C379-V447 HydrophobicContact CB-CG1 3.79Å; F382-V447 HydrophobicContact CB-CG1 4.39Å; F382-V447 HydrophobicContact CD1-CB 3.91Å; F382-V447 HydrophobicContact CD1-CG1 3.86Å; F382-V447 HydrophobicContact CD1-CG2 3.68Å; F382-V447 HydrophobicContact CE1-CB 4.21Å; F382-V447 HydrophobicContact CE1-CG2 3.66Å; F382-V447 HydrophobicContact CG-CG1 4.42Å; F382-V447 HydrophobicContact CG-CG2 4.46Å; F382-V447 HydrophobicContact CZ-CG2 4.42Å; I383-V447 HydrophobicContact CD1-CG1 4.23Å; I383-V447 HydrophobicContact CG1-CG1 4.15Å; L406-V447 HydrophobicContact CD2-CG2 4Å; L437-V447 HydrophobicContact CD1-CG1 4.05Å; L437-V447 HydrophobicContact CD1-CG2 4.42Å; H442-V447 HydrophobicContact CB-CG2 4.07Å; S443-V447 PolarHBondContact O-N 3.02Å; V444-V447 PolarHBondContact O-N 3Å; V447-S449 VanDerWaalsContact C-N 3.27Å; V447-S449 PolarHBondContact O-N 3.09Å; V447-V450 PolarHBondContact O-N 3.13Å; V447-L451 PolarHBondContact O-N 3.09Å
448	A	97.4	Very high	93.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-36.6	174.9	0	0	0	0	0	112.4	I383 I393 V444 T446 L451 R452	I383-A448 HydrophobicContact CD1-CB 3.88Å; I393-A448 HydrophobicContact CD1-CB 3.95Å; V444-A448 WeakPolarHBondContact O-CB 2.95Å; V444-A448 PolarHBondContact O-N 3.21Å; T446-A448 PolarHBondContact O-N 3.34Å; A448-L451 PolarHBondContact O-N 3.23Å; A448-R452 WeakPolarHBondContact O-CG 3.41Å; A448-R452 PolarHBondContact O-N 3.41Å; A448-R452 VanDerWaalsContact O-N 3.16Å; A448-R452 PolarHBondContact O-NH1 3.06Å
449	S	97	Very high	93.5	Very high	8 Å²	8	43.7 Å²	43.7	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-72.4	-36.3	177.5	-54	0	0	0	0	112.3	S397 G398 H445 T446 V447 L451 R452 K453	S397-S449 WeakPolarHBondContact CA-OG 3.34Å; G398-S449 PolarHBondContact N-OG 2.99Å; H445-S449 WeakPolarHBondContact O-CB 3.29Å; H445-S449 PolarHBondContact O-N 3.44Å; H445-S449 PolarHBondContact O-OG 2.96Å; T446-S449 WeakPolarHBondContact O-CB 3.3Å; T446-S449 PolarHBondContact O-N 3.21Å; T446-S449 VanDerWaalsContact O-N 3.11Å; V447-S449 VanDerWaalsContact C-N 3.27Å; V447-S449 PolarHBondContact O-N 3.09Å; S449-L451 VanDerWaalsContact C-N 3.34Å; S449-R452 PolarHBondContact O-N 3.01Å; S449-R452 PolarHBondContact OG-NH2 2.81Å; S449-R452 VanDerWaalsContact OG-NH2 3.16Å; S449-K453 VanDerWaalsContact O-CB 3.3Å; S449-K453 WeakPolarHBondContact O-CB 3.45Å; S449-K453 PolarHBondContact O-N 2.99Å
450	V	96.6	Very high	94	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-43.3	172.5	171.1	0	0	0	0	111	I375 I403 L406 Y407 L410 T446 V447 K453 F454	I375-V450 HydrophobicContact CD1-CG1 4.21Å; I403-V450 HydrophobicContact CB-CG2 4.27Å; I403-V450 HydrophobicContact CG2-CG2 3.84Å; L406-V450 HydrophobicContact CB-CG2 4.03Å; L406-V450 HydrophobicContact CD2-CG2 4.04Å; L406-V450 HydrophobicContact CG-CG2 4.09Å; Y407-V450 HydrophobicContact CD2-CG1 4.18Å; L410-V450 HydrophobicContact CD1-CG1 4.1Å; T446-V450 WeakPolarHBondContact O-CG2 3.23Å; T446-V450 PolarHBondContact O-N 3.13Å; V447-V450 PolarHBondContact O-N 3.13Å; V450-K453 PolarHBondContact O-N 2.96Å; V450-F454 PolarHBondContact O-N 3.34Å
451	L	97.6	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-48.4	175.1	179.2	68.8	0	0	0	111.9	V376 C379 L380 V447 A448 S449 F454 F455 L506	V376-L451 HydrophobicContact CB-CD1 4.32Å; V376-L451 HydrophobicContact CG1-CD1 4.16Å; V376-L451 HydrophobicContact CG2-CD1 4.16Å; C379-L451 HydrophobicContact CB-CB 4Å; C379-L451 HydrophobicContact CB-CD1 4.09Å; C379-L451 HydrophobicContact CB-CG 4.48Å; L380-L451 HydrophobicContact CD2-CD2 3.49Å; L380-L451 VanDerWaalsContact CD2-CD2 3.49Å; L380-L451 HydrophobicContact CG-CD2 4.34Å; V447-L451 PolarHBondContact O-N 3.09Å; A448-L451 PolarHBondContact O-N 3.23Å; S449-L451 VanDerWaalsContact C-N 3.34Å; L451-F454 PolarHBondContact O-N 3.26Å; L451-F455 HydrophobicContact CD1-CD2 4.24Å; L451-F455 HydrophobicContact CD1-CE2 3.56Å; L451-F455 HydrophobicContact CD1-CZ 4.29Å; L451-F455 HydrophobicContact CG-CD2 4.26Å; L451-F455 HydrophobicContact CG-CE2 3.89Å; L451-F455 VanDerWaalsContact O-CD2 3.25Å; L451-F455 WeakPolarHBondContact O-CD2 3.31Å; L451-F455 PolarHBondContact O-N 2.88Å; L451-L506 HydrophobicContact CD2-CD1 4.36Å
452	R	95.8	Very high	95.4	Very high	32 Å²	32	30.3 Å²	30.3	12%	0.121	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-43.4	177	-67.8	-168	-54	-80.8	8.3	111.6	H394 S397 A448 S449 F454 F455 A456 F531 T534	H394-R452 PolarHBondContact O-NH1 3.31Å; S397-R452 PolarHBondContact OG-NH2 2.74Å; A448-R452 WeakPolarHBondContact O-CG 3.41Å; A448-R452 PolarHBondContact O-N 3.41Å; A448-R452 VanDerWaalsContact O-N 3.16Å; A448-R452 PolarHBondContact O-NH1 3.06Å; S449-R452 PolarHBondContact O-N 3.01Å; S449-R452 PolarHBondContact OG-NH2 2.81Å; S449-R452 VanDerWaalsContact OG-NH2 3.16Å; R452-F454 VanDerWaalsContact C-N 3.31Å; R452-F454 PolarHBondContact O-N 2.99Å; R452-F455 PolarHBondContact O-N 2.76Å; R452-A456 WeakPolarHBondContact O-CB 3.42Å; R452-A456 PolarHBondContact O-N 2.79Å; R452-F531 HydrophobicContact CG-CE1 4.18Å; R452-F531 HydrophobicContact CG-CZ 4.26Å; R452-T534 WeakPolarHBondContact O-CG2 3.42Å
453	K	95.8	Very high	95.9	Very high	48 Å²	48	28.5 Å²	28.5	21%	0.209	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-43.6	177	-178	178.4	179.5	-175	0	111.4	I403 D404 Y407 S449 V450 A456 Q457	I403-K453 HydrophobicContact CG2-CD 3.86Å; D404-K453 IonicContact OD1-NZ 2.71Å; D404-K453 PolarHBondContact OD1-NZ 3.28Å; Y407-K453 HydrophobicContact CD1-CD 4.36Å; Y407-K453 HydrophobicContact CD2-CD 4.34Å; Y407-K453 HydrophobicContact CD2-CG 4.41Å; Y407-K453 HydrophobicContact CG-CD 4.07Å; S449-K453 VanDerWaalsContact O-CB 3.3Å; S449-K453 WeakPolarHBondContact O-CB 3.45Å; S449-K453 PolarHBondContact O-N 2.99Å; V450-K453 PolarHBondContact O-N 2.96Å; K453-A456 PolarHBondContact O-N 3.39Å; K453-Q457 HydrophobicContact CG-CG 4.31Å; K453-Q457 WeakPolarHBondContact O-CB 3.32Å; K453-Q457 WeakPolarHBondContact O-CG 3.43Å; K453-Q457 PolarHBondContact O-N 3.42Å
454	F	96.2	Very high	96	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-56.4	-52.5	176.9	169.5	-104.8	0	0	0	111.9	L362 Q365 P373 I375 V376 Y407 I411 V450 L451 R452 A456 Q457 L458	L362-F454 HydrophobicContact CD1-CE1 4.1Å; L362-F454 HydrophobicContact CD1-CZ 3.95Å; Q365-F454 HydrophobicContact CG-CE2 4.29Å; Q365-F454 HydrophobicContact CG-CZ 4.09Å; P373-F454 HydrophobicContact CB-CE1 4.41Å; P373-F454 HydrophobicContact CB-CZ 4.07Å; P373-F454 HydrophobicContact CG-CE1 4.49Å; P373-F454 HydrophobicContact CG-CZ 4.26Å; I375-F454 HydrophobicContact CD1-CB 3.91Å; I375-F454 HydrophobicContact CD1-CD2 3.95Å; I375-F454 HydrophobicContact CD1-CG 4.06Å; I375-F454 HydrophobicContact CG1-CB 4.48Å; I375-F454 HydrophobicContact CG1-CG 4.44Å; I375-F454 HydrophobicContact CG2-CD1 3.99Å; I375-F454 HydrophobicContact CG2-CD2 3.61Å; I375-F454 HydrophobicContact CG2-CE1 3.94Å; I375-F454 HydrophobicContact CG2-CE2 3.54Å; I375-F454 HydrophobicContact CG2-CG 3.83Å; I375-F454 HydrophobicContact CG2-CZ 3.7Å; V376-F454 HydrophobicContact CG2-CD1 3.67Å; V376-F454 HydrophobicContact CG2-CE1 3.42Å; V376-F454 VanDerWaalsContact CG2-CE1 3.42Å; V376-F454 HydrophobicContact CG2-CZ 4.41Å; Y407-F454 HydrophobicContact CD2-CB 4.48Å; Y407-F454 HydrophobicContact CE2-CB 3.89Å; Y407-F454 HydrophobicContact CE2-CD2 4.23Å; I411-F454 HydrophobicContact CG2-CD2 4.47Å; V450-F454 PolarHBondContact O-N 3.34Å; L451-F454 PolarHBondContact O-N 3.26Å; R452-F454 VanDerWaalsContact C-N 3.31Å; R452-F454 PolarHBondContact O-N 2.99Å; F454-A456 VanDerWaalsContact C-N 3.31Å; F454-A456 PolarHBondContact O-N 2.67Å; F454-Q457 PolarHBondContact O-N 2.62Å; F454-Q457 VanDerWaalsContact O-N 3.17Å; F454-L458 HydrophobicContact CE1-CD2 4.31Å; F454-L458 HydrophobicContact CE2-CD2 4.02Å; F454-L458 HydrophobicContact CZ-CD2 3.84Å; F454-L458 PolarHBondContact O-N 3.15Å
455	F	97.8	Very high	95.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-37.8	178.7	-71.6	-59.8	0	0	0	112.8	V376 L451 R452 Q457 L458 L462 T502 L506 T534 L535	V376-F455 HydrophobicContact CG1-CZ 4.17Å; V376-F455 HydrophobicContact CG2-CE1 4.11Å; V376-F455 HydrophobicContact CG2-CE2 4.38Å; V376-F455 HydrophobicContact CG2-CZ 3.7Å; L451-F455 HydrophobicContact CD1-CD2 4.24Å; L451-F455 HydrophobicContact CD1-CE2 3.56Å; L451-F455 HydrophobicContact CD1-CZ 4.29Å; L451-F455 HydrophobicContact CG-CD2 4.26Å; L451-F455 HydrophobicContact CG-CE2 3.89Å; L451-F455 VanDerWaalsContact O-CD2 3.25Å; L451-F455 WeakPolarHBondContact O-CD2 3.31Å; L451-F455 PolarHBondContact O-N 2.88Å; R452-F455 PolarHBondContact O-N 2.76Å; F455-Q457 VanDerWaalsContact C-N 3.28Å; F455-Q457 PolarHBondContact O-N 3.16Å; F455-L458 HydrophobicContact CD1-CD1 3.98Å; F455-L458 PolarHBondContact O-N 3.3Å; F455-L462 HydrophobicContact CD1-CB 4.18Å; F455-L462 HydrophobicContact CD1-CD2 4.24Å; F455-L462 HydrophobicContact CE1-CB 4.41Å; F455-L462 HydrophobicContact CE1-CD1 4.27Å; F455-L462 HydrophobicContact CE1-CD2 3.78Å; F455-L462 HydrophobicContact CE1-CG 4.37Å; F455-L462 HydrophobicContact CZ-CD2 4.3Å; F455-T502 HydrophobicContact CE1-CG2 3.73Å; F455-T502 HydrophobicContact CZ-CG2 3.93Å; F455-L506 HydrophobicContact CE2-CD1 4.22Å; F455-L506 HydrophobicContact CE2-CD2 3.88Å; F455-L506 HydrophobicContact CZ-CD2 3.99Å; F455-T534 HydrophobicContact CB-CG2 3.54Å; F455-L535 HydrophobicContact CB-CD2 4.25Å; F455-L535 HydrophobicContact CD1-CD2 4.18Å; F455-L535 HydrophobicContact CD2-CD2 4.19Å; F455-L535 HydrophobicContact CG-CD2 3.96Å
456	A	94.7	Very high	95.7	Very high	65 Å²	65	30.2 Å²	30.2	54%	0.537	16%	0.16	S	C	.	.	H	α-helix	trans	-68.2	-25.2	177.6	0	0	0	0	0	113.6	R452 K453 F454 T534	R452-A456 WeakPolarHBondContact O-CB 3.42Å; R452-A456 PolarHBondContact O-N 2.79Å; K453-A456 PolarHBondContact O-N 3.39Å; F454-A456 VanDerWaalsContact C-N 3.31Å; F454-A456 PolarHBondContact O-N 2.67Å; A456-T534 HydrophobicContact CB-CG2 4.31Å
457	Q	94.5	Very high	95.7	Very high	81 Å²	81	30 Å²	30	38%	0.379	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.6	-179.9	-71.7	-163.5	-12	0	0	114	Y407 K453 F454 F455	Y407-Q457 PolarHBondContact OH-OE1 3.15Å; K453-Q457 HydrophobicContact CG-CG 4.31Å; K453-Q457 WeakPolarHBondContact O-CB 3.32Å; K453-Q457 WeakPolarHBondContact O-CG 3.43Å; K453-Q457 PolarHBondContact O-N 3.42Å; F454-Q457 PolarHBondContact O-N 2.62Å; F454-Q457 VanDerWaalsContact O-N 3.17Å; F455-Q457 VanDerWaalsContact C-N 3.28Å; F455-Q457 PolarHBondContact O-N 3.16Å
458	L	95.4	Very high	95.6	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.037	16%	0.16	C	C	.	.			trans	-64.7	139.7	173.8	-61.6	175.8	0	0	0	110.6	N360 L362 F454 F455 E460	N360-L458 WeakPolarHBondContact O-CA 3.42Å; L362-L458 HydrophobicContact CB-CD1 4.43Å; L362-L458 HydrophobicContact CB-CD2 4.33Å; L362-L458 HydrophobicContact CD1-CD1 4.06Å; L362-L458 HydrophobicContact CD1-CD2 4.2Å; F454-L458 HydrophobicContact CE1-CD2 4.31Å; F454-L458 HydrophobicContact CE2-CD2 4.02Å; F454-L458 HydrophobicContact CZ-CD2 3.84Å; F454-L458 PolarHBondContact O-N 3.15Å; F455-L458 HydrophobicContact CD1-CD1 3.98Å; F455-L458 PolarHBondContact O-N 3.3Å; L458-E460 VanDerWaalsContact C-N 3.32Å; L458-E460 WeakPolarHBondContact CB-O 3.13Å; L458-E460 PolarHBondContact O-N 2.86Å
459	E	94	Very high	95.3	Very high	125 Å²	125	33 Å²	33	58%	0.584	18%	0.18	S	C	*	.	S	Bend	trans	-59	-48	177.3	-175.4	175.5	158.2	0	0	110.7	N360 L361 R537	N360-E459 HydrophobicContact CB-CB 4.33Å; N360-E459 PolarHBondContact O-N 3.38Å; L361-E459 HydrophobicContact CD2-CB 4.09Å; L361-E459 HydrophobicContact CD2-CG 4.35Å; L361-E459 WeakPolarHBondContact CD2-OE2 3.31Å; E459-R537 PolarHBondContact O-NH1 3.31Å; E459-R537 PolarHBondContact O-NH2 2.94Å
460	E	93.6	Very high	95.1	Very high	91 Å²	91	37 Å²	37	43%	0.425	19%	0.194	S	C	.	.	S	Bend	trans	-108.4	137.1	169.6	-170.8	-179.7	-154.7	0	0	109.7	L458 P464	L458-E460 VanDerWaalsContact C-N 3.32Å; L458-E460 WeakPolarHBondContact CB-O 3.13Å; L458-E460 PolarHBondContact O-N 2.86Å; E460-P464 VanDerWaalsContact OE1-CB 3.22Å; E460-P464 WeakPolarHBondContact OE1-CB 3.22Å
461	P	95.7	Very high	95	Very high	7 Å²	7	37 Å²	37	5%	0.045	19%	0.194	C	C	.	.			trans	-54.6	154.9	175.3	25.7	-38.2	0	0	0	112.4	V463 L535 R537	P461-V463 WeakPolarHBondContact CG-O 3.33Å; P461-V463 CarbonylContact O-C 3.52Å; P461-V463 PolarHBondContact O-N 2.91Å; P461-V463 VanDerWaalsContact O-N 3.09Å; P461-L535 WeakPolarHBondContact CB-O 3.37Å; P461-R537 HydrophobicContact CB-CB 4.29Å; P461-R537 HydrophobicContact CG-CB 3.79Å
462	L	97.6	Very high	94.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.201	C	C	.	.	S	Bend	trans	-50.9	-39.5	177.2	175.2	61.2	0	0	0	111.9	L362 F455 P464 N499 T502 L503 L506 L535	L362-L462 HydrophobicContact CD2-CD1 3.49Å; L362-L462 VanDerWaalsContact CD2-CD1 3.49Å; F455-L462 HydrophobicContact CD1-CB 4.18Å; F455-L462 HydrophobicContact CD1-CD2 4.24Å; F455-L462 HydrophobicContact CE1-CB 4.41Å; F455-L462 HydrophobicContact CE1-CD1 4.27Å; F455-L462 HydrophobicContact CE1-CD2 3.78Å; F455-L462 HydrophobicContact CE1-CG 4.37Å; F455-L462 HydrophobicContact CZ-CD2 4.3Å; L462-P464 WeakPolarHBondContact O-CD 3.44Å; L462-N499 PolarHBondContact O-ND2 2.81Å; L462-T502 HydrophobicContact CD1-CG2 3.76Å; L462-T502 HydrophobicContact CD2-CG2 4.4Å; L462-L503 HydrophobicContact CD2-CB 4.15Å; L462-L503 HydrophobicContact CD2-CD1 3.92Å; L462-L503 HydrophobicContact CG-CB 4.47Å; L462-L506 HydrophobicContact CD2-CD2 4.11Å; L462-L535 HydrophobicContact CB-CD2 4.13Å; L462-L535 HydrophobicContact CD2-CD2 3.75Å
463	V	97.4	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-102.7	104.7	169.7	-172.9	0	0	0	0	108.9	P461 I467 T468 L471 L503 L535 F536	P461-V463 WeakPolarHBondContact CG-O 3.33Å; P461-V463 CarbonylContact O-C 3.52Å; P461-V463 PolarHBondContact O-N 2.91Å; P461-V463 VanDerWaalsContact O-N 3.09Å; V463-I467 HydrophobicContact CG1-CB 3.88Å; V463-I467 HydrophobicContact CG1-CG2 3.76Å; V463-T468 PolarHBondContact O-OG1 3.03Å; V463-L471 HydrophobicContact CG1-CD1 4.15Å; V463-L503 HydrophobicContact CG2-CD1 4.22Å; V463-L503 HydrophobicContact CG2-CD2 4.13Å; V463-L535 PolarHBondContact N-O 2.9Å; V463-F536 HydrophobicContact CB-CD1 3.76Å; V463-F536 HydrophobicContact CB-CE1 3.63Å; V463-F536 HydrophobicContact CB-CZ 4.39Å; V463-F536 HydrophobicContact CG1-CD1 4.02Å; V463-F536 HydrophobicContact CG1-CE1 3.73Å; V463-F536 HydrophobicContact CG2-CD1 4.21Å; V463-F536 HydrophobicContact CG2-CE1 3.65Å; V463-F536 HydrophobicContact CG2-CZ 3.93Å
464	P	95.7	Very high	94	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.084	23%	0.229	C	C	.	.			trans	-47.4	154.5	173.2	-36	41.4	0	0	0	114.2	E460 L462 D466 I467 T468 L495	E460-P464 VanDerWaalsContact OE1-CB 3.22Å; E460-P464 WeakPolarHBondContact OE1-CB 3.22Å; L462-P464 WeakPolarHBondContact O-CD 3.44Å; P464-D466 VanDerWaalsContact C-N 3.29Å; P464-D466 WeakPolarHBondContact CB-OD1 3.1Å; P464-D466 PolarHBondContact O-N 3.49Å; P464-I467 HydrophobicContact CB-CG1 4.39Å; P464-I467 PolarHBondContact O-N 2.95Å; P464-T468 PolarHBondContact O-N 3.31Å; P464-T468 PolarHBondContact O-OG1 3.02Å; P464-L495 VanDerWaalsContact CD-CD2 3.5Å; P464-L495 HydrophobicContact CG-CD2 4.33Å
465	T	92.6	Very high	93.5	Very high	62 Å²	62	45 Å²	45	38%	0.38	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-32.5	-175.5	48.6	0	0	0	0	112.9	T468 S469	T465-T468 PolarHBondContact O-N 2.75Å; T465-S469 WeakPolarHBondContact O-CB 3.44Å; T465-S469 PolarHBondContact O-N 3.33Å; T465-S469 PolarHBondContact O-OG 2.89Å
466	D	92.7	Very high	92.3	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-68.1	-38.6	177	71.9	-54.5	0	0	0	111.9	P464 R470	P464-D466 VanDerWaalsContact C-N 3.29Å; P464-D466 WeakPolarHBondContact CB-OD1 3.1Å; P464-D466 PolarHBondContact O-N 3.49Å; D466-R470 WeakPolarHBondContact O-CG 3.5Å; D466-R470 PolarHBondContact O-N 3.21Å
467	I	95.7	Very high	91	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-42.2	174.7	-55.1	-52.9	0	0	0	110.7	V463 P464 S469 R470 L471 R494 L495	V463-I467 HydrophobicContact CG1-CB 3.88Å; V463-I467 HydrophobicContact CG1-CG2 3.76Å; P464-I467 HydrophobicContact CB-CG1 4.39Å; P464-I467 PolarHBondContact O-N 2.95Å; I467-S469 VanDerWaalsContact C-N 3.27Å; I467-S469 PolarHBondContact O-N 3.09Å; I467-R470 WeakPolarHBondContact O-CB 3.49Å; I467-R470 PolarHBondContact O-N 3.15Å; I467-L471 HydrophobicContact CG2-CD1 4.15Å; I467-L471 HydrophobicContact CG2-CG 4.45Å; I467-L471 WeakPolarHBondContact O-CG 3.45Å; I467-L471 PolarHBondContact O-N 2.89Å; I467-R494 HydrophobicContact CD1-CB 3.75Å; I467-L495 HydrophobicContact CB-CD2 4.19Å; I467-L495 HydrophobicContact CG1-CD2 3.79Å; I467-L495 HydrophobicContact CG1-CG 4.34Å; I467-L495 HydrophobicContact CG2-CD2 4.11Å; I467-L495 HydrophobicContact CG2-CG 4.28Å
468	T	94.2	Very high	89.9	Confident	3 Å²	3	51 Å²	51	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-46.3	174.1	-58.2	0	0	0	0	110.9	V463 P464 T465 R470 L471 L472 F536 L538 I556	V463-T468 PolarHBondContact O-OG1 3.03Å; P464-T468 PolarHBondContact O-N 3.31Å; P464-T468 PolarHBondContact O-OG1 3.02Å; T465-T468 PolarHBondContact O-N 2.75Å; T468-R470 VanDerWaalsContact C-N 3.3Å; T468-R470 PolarHBondContact O-N 3.06Å; T468-L471 PolarHBondContact O-N 3.34Å; T468-L472 HydrophobicContact CG2-CD1 4.17Å; T468-L472 WeakPolarHBondContact O-CG 3.27Å; T468-L472 PolarHBondContact O-N 3.49Å; T468-F536 HydrophobicContact CG2-CB 4.46Å; T468-F536 HydrophobicContact CG2-CD1 3.98Å; T468-L538 HydrophobicContact CG2-CD2 3.92Å; T468-I556 HydrophobicContact CG2-CD1 4.05Å
469	S	91.4	Very high	89.2	Confident	60 Å²	60	53.1 Å²	53.1	42%	0.42	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-36.4	177.8	-59	0	0	0	0	112.9	T465 I467 K473	T465-S469 WeakPolarHBondContact O-CB 3.44Å; T465-S469 PolarHBondContact O-N 3.33Å; T465-S469 PolarHBondContact O-OG 2.89Å; I467-S469 VanDerWaalsContact C-N 3.27Å; I467-S469 PolarHBondContact O-N 3.09Å; S469-K473 VanDerWaalsContact O-CG 3.31Å; S469-K473 WeakPolarHBondContact O-CG 3.25Å; S469-K473 PolarHBondContact O-N 3.09Å
470	R	92.6	Very high	88.9	Confident	91 Å²	91	50.1 Å²	50.1	34%	0.343	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-44.8	175.7	-69.5	169.2	-179.3	-109.7	-2	111.4	D466 I467 T468 L472 K473 H474 A491 R494	D466-R470 WeakPolarHBondContact O-CG 3.5Å; D466-R470 PolarHBondContact O-N 3.21Å; I467-R470 WeakPolarHBondContact O-CB 3.49Å; I467-R470 PolarHBondContact O-N 3.15Å; T468-R470 VanDerWaalsContact C-N 3.3Å; T468-R470 PolarHBondContact O-N 3.06Å; R470-L472 PolarHBondContact O-N 2.98Å; R470-K473 PolarHBondContact O-N 2.97Å; R470-H474 PolarHBondContact O-CD2 2.74Å; R470-H474 PolarHBondContact O-N 2.91Å; R470-A491 HydrophobicContact CB-CB 4.12Å; R470-R494 VanDerWaalsContact NH1-NE 3.17Å; R470-R494 VanDerWaalsContact NH2-CZ 3.34Å
471	L	94	Very high	88.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-45	178.1	-68.2	168.2	0	0	0	111.4	V463 I467 T468 K473 H474 A475 Y488 A491 I492 F536 V559	V463-L471 HydrophobicContact CG1-CD1 4.15Å; I467-L471 HydrophobicContact CG2-CD1 4.15Å; I467-L471 HydrophobicContact CG2-CG 4.45Å; I467-L471 WeakPolarHBondContact O-CG 3.45Å; I467-L471 PolarHBondContact O-N 2.89Å; T468-L471 PolarHBondContact O-N 3.34Å; L471-K473 VanDerWaalsContact C-N 3.35Å; L471-K473 PolarHBondContact O-N 3.26Å; L471-H474 PolarHBondContact O-N 3.29Å; L471-H474 VanDerWaalsContact O-N 3.11Å; L471-A475 PolarHBondContact O-N 3.06Å; L471-Y488 HydrophobicContact CD2-CD1 3.66Å; L471-Y488 HydrophobicContact CD2-CE1 4.37Å; L471-Y488 HydrophobicContact CD2-CG 4.09Å; L471-A491 HydrophobicContact CD2-CB 3.76Å; L471-A491 HydrophobicContact CG-CB 4.17Å; L471-I492 HydrophobicContact CD2-CG2 4.3Å; L471-F536 HydrophobicContact CD1-CE1 4.13Å; L471-V559 HydrophobicContact CB-CG1 4.08Å; L471-V559 HydrophobicContact CB-CG2 4.22Å; L471-V559 HydrophobicContact CD1-CG1 4.06Å; L471-V559 HydrophobicContact CD2-CG1 4.28Å; L471-V559 HydrophobicContact CG-CG1 4.37Å
472	L	90.9	Very high	88.4	Confident	27 Å²	27	55.6 Å²	55.6	14%	0.141	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-39.8	177.8	-72.4	174.4	0	0	0	113.4	T468 R470 H474 A475 S476 L538 K555 I556	T468-L472 HydrophobicContact CG2-CD1 4.17Å; T468-L472 WeakPolarHBondContact O-CG 3.27Å; T468-L472 PolarHBondContact O-N 3.49Å; R470-L472 PolarHBondContact O-N 2.98Å; L472-H474 PolarHBondContact O-N 3.23Å; L472-A475 PolarHBondContact O-N 3.04Å; L472-S476 PolarHBondContact O-OG 3.46Å; L472-S476 VanDerWaalsContact O-OG 3.11Å; L472-L538 HydrophobicContact CD1-CD2 3.74Å; L472-K555 HydrophobicContact CD2-CB 3.59Å; L472-I556 HydrophobicContact CD2-CB 4.01Å; L472-I556 HydrophobicContact CD2-CD1 4.21Å; L472-I556 HydrophobicContact CG-CD1 4.49Å
473	K	89.2	Confident	88.1	Confident	157 Å²	157	58.4 Å²	58.4	68%	0.683	32%	0.32	S	S	*	.	H	α-helix	trans	-60.3	-37.1	175.5	-74.6	173.4	-176.8	-175.8	0	111.8	S469 R470 L471	S469-K473 VanDerWaalsContact O-CG 3.31Å; S469-K473 WeakPolarHBondContact O-CG 3.25Å; S469-K473 PolarHBondContact O-N 3.09Å; R470-K473 PolarHBondContact O-N 2.97Å; L471-K473 VanDerWaalsContact C-N 3.35Å; L471-K473 PolarHBondContact O-N 3.26Å
474	H	88.9	Confident	87.8	Confident	52 Å²	52	58.9 Å²	58.9	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-82.8	-24.8	-179.6	-60.5	-45.7	0	0	0	113.5	R470 L471 L472 S476 S477 R487 Y488	R470-H474 PolarHBondContact O-CD2 2.74Å; R470-H474 PolarHBondContact O-N 2.91Å; L471-H474 PolarHBondContact O-N 3.29Å; L471-H474 VanDerWaalsContact O-N 3.11Å; L472-H474 PolarHBondContact O-N 3.23Å; H474-S476 PolarHBondContact O-N 3.46Å; H474-S477 PolarHBondContact O-OG 3.27Å; H474-S477 VanDerWaalsContact O-OG 3.1Å; H474-R487 HydrophobicContact CB-CB 3.9Å; H474-Y488 HydrophobicContact CB-CD1 4.1Å; H474-Y488 HydrophobicContact CB-CE1 3.91Å
475	A	85.8	Confident	87.7	Confident	16 Å²	16	58.4 Å²	58.4	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-67.8	-18.9	175.2	0	0	0	0	0	113.7	L471 L472 Y488 K555 V559	L471-A475 PolarHBondContact O-N 3.06Å; L472-A475 PolarHBondContact O-N 3.04Å; A475-Y488 WeakPolarHBondContact CA-OH 3.18Å; A475-Y488 WeakPolarHBondContact CB-OH 3.28Å; A475-K555 HydrophobicContact CB-CB 4.16Å; A475-K555 HydrophobicContact CB-CG 4.39Å; A475-V559 HydrophobicContact CB-CG2 3.86Å
476	S	71.9	Confident	87.8	Confident	57 Å²	57	59 Å²	59	40%	0.399	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.8	-174.6	-50.7	0	0	0	0	114	L472 H474 K555	L472-S476 PolarHBondContact O-OG 3.46Å; L472-S476 VanDerWaalsContact O-OG 3.11Å; H474-S476 PolarHBondContact O-N 3.46Å; S476-K555 WeakPolarHBondContact OG-CD 3.01Å; S476-K555 WeakPolarHBondContact OG-CE 3.07Å; S476-K555 PolarHBondContact OG-NZ 3.23Å
477	S	66.4	Low	87.9	Confident	35 Å²	35	59.2 Å²	59.2	25%	0.245	31%	0.313	C	S	.	.	S	Bend	trans	-81.8	133.8	-174.3	52	0	0	0	0	111.2	H474 T479 R487	H474-S477 PolarHBondContact O-OG 3.27Å; H474-S477 VanDerWaalsContact O-OG 3.1Å; S477-T479 WeakPolarHBondContact CB-OG1 3.45Å; S477-T479 PolarHBondContact O-N 3.01Å; S477-T479 PolarHBondContact O-OG1 2.78Å; S477-T479 PolarHBondContact OG-OG1 3.34Å; S477-R487 PolarHBondContact OG-NH1 2.84Å
478	N	72.5	Confident	87.9	Confident	181 Å²	181	59.1 Å²	59.1	97%	0.968	31%	0.312	S	S	*	.			trans	-69.6	43.4	168.3	-68.8	-27.2	0	0	0	111.5
479	T	81.2	Confident	88	Confident	51 Å²	51	60.4 Å²	60.4	31%	0.313	32%	0.318	S	S	.	.			trans	-93.1	159.2	179.6	43.6	0	0	0	0	110.4	S477 V483 T484	S477-T479 WeakPolarHBondContact CB-OG1 3.45Å; S477-T479 PolarHBondContact O-N 3.01Å; S477-T479 PolarHBondContact O-OG1 2.78Å; S477-T479 PolarHBondContact OG-OG1 3.34Å; T479-V483 HydrophobicContact CG2-CG1 4.06Å; T479-T484 PolarHBondContact OG1-OG1 3.01Å; T479-T484 VanDerWaalsContact OG1-OG1 3.09Å
480	S	87.7	Confident	88.2	Confident	62 Å²	62	61.7 Å²	61.7	43%	0.434	32%	0.32	S	S	.	.			trans	-57	154.4	170.4	65.1	0	0	0	0	111.3	E482 V483 T484	S480-E482 VanDerWaalsContact C-N 3.26Å; S480-E482 PolarHBondContact O-N 2.68Å; S480-V483 PolarHBondContact O-N 2.93Å; S480-V483 VanDerWaalsContact OG-CG2 3.31Å; S480-V483 WeakPolarHBondContact OG-CG2 3.44Å; S480-V483 PolarHBondContact OG-N 3.49Å; S480-T484 PolarHBondContact O-N 3.41Å; S480-T484 VanDerWaalsContact O-N 3.08Å; S480-T484 PolarHBondContact O-OG1 3.03Å
481	T	88.1	Confident	88.4	Confident	70 Å²	70	57.5 Å²	57.5	43%	0.429	31%	0.305	S	S	.	.	H	α-helix	trans	-54.7	-44	176.2	-54.6	0	0	0	0	111.3	V483 T484 M485 Y566	T481-V483 PolarHBondContact O-N 3.39Å; T481-T484 WeakPolarHBondContact O-CA 3.47Å; T481-T484 WeakPolarHBondContact O-CB 3.48Å; T481-T484 PolarHBondContact O-N 3.02Å; T481-T484 VanDerWaalsContact O-N 3.11Å; T481-M485 HydrophobicContact CG2-CE 3.89Å; T481-M485 HydrophobicContact CG2-CG 4.39Å; T481-M485 WeakPolarHBondContact O-CG 3.46Å; T481-M485 PolarHBondContact O-N 3.07Å; T481-Y566 HydrophobicContact CG2-CD2 4.38Å; T481-Y566 HydrophobicContact CG2-CE1 4.02Å; T481-Y566 HydrophobicContact CG2-CE2 3.64Å; T481-Y566 VanDerWaalsContact CG2-CZ 3.44Å; T481-Y566 WeakPolarHBondContact CG2-OH 3.26Å
482	E	89.3	Confident	88.5	Confident	144 Å²	144	57.5 Å²	57.5	67%	0.673	31%	0.305	S	S	*	.	H	α-helix	trans	-57.7	-49	179.2	-66.2	170.7	-177.9	0	0	112.4	S480 T484 M485 E486	S480-E482 VanDerWaalsContact C-N 3.26Å; S480-E482 PolarHBondContact O-N 2.68Å; E482-T484 PolarHBondContact O-N 3.03Å; E482-M485 PolarHBondContact O-N 3.35Å; E482-E486 PolarHBondContact O-N 2.94Å
483	V	91.6	Very high	88.8	Confident	60 Å²	60	60.6 Å²	60.6	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-35.2	177.5	172	0	0	0	0	111.1	T479 S480 T481 R487	T479-V483 HydrophobicContact CG2-CG1 4.06Å; S480-V483 PolarHBondContact O-N 2.93Å; S480-V483 VanDerWaalsContact OG-CG2 3.31Å; S480-V483 WeakPolarHBondContact OG-CG2 3.44Å; S480-V483 PolarHBondContact OG-N 3.49Å; T481-V483 PolarHBondContact O-N 3.39Å; V483-R487 WeakPolarHBondContact O-CB 3.37Å; V483-R487 WeakPolarHBondContact O-CD 3.3Å; V483-R487 VanDerWaalsContact O-CG 3.25Å; V483-R487 WeakPolarHBondContact O-CG 3.23Å; V483-R487 PolarHBondContact O-N 2.86Å; V483-R487 VanDerWaalsContact O-N 3.08Å
484	T	92	Very high	89.2	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.055	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-41.6	177.2	-51.5	0	0	0	0	111	T479 S480 T481 E482 R487 Y488	T479-T484 PolarHBondContact OG1-OG1 3.01Å; T479-T484 VanDerWaalsContact OG1-OG1 3.09Å; S480-T484 PolarHBondContact O-N 3.41Å; S480-T484 VanDerWaalsContact O-N 3.08Å; S480-T484 PolarHBondContact O-OG1 3.03Å; T481-T484 WeakPolarHBondContact O-CA 3.47Å; T481-T484 WeakPolarHBondContact O-CB 3.48Å; T481-T484 PolarHBondContact O-N 3.02Å; T481-T484 VanDerWaalsContact O-N 3.11Å; E482-T484 PolarHBondContact O-N 3.03Å; T484-R487 WeakPolarHBondContact O-CB 3.03Å; T484-R487 PolarHBondContact O-N 2.67Å; T484-Y488 HydrophobicContact CG2-CD2 4.35Å; T484-Y488 HydrophobicContact CG2-CE1 4.03Å; T484-Y488 HydrophobicContact CG2-CE2 3.81Å; T484-Y488 PolarHBondContact O-N 3.37Å
485	M	94	Very high	89.6	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-42.2	176.8	-64.4	-42.5	117.8	0	0	112.2	T481 E482 R487 Y488 K489 D562 Y566 V570	T481-M485 HydrophobicContact CG2-CE 3.89Å; T481-M485 HydrophobicContact CG2-CG 4.39Å; T481-M485 WeakPolarHBondContact O-CG 3.46Å; T481-M485 PolarHBondContact O-N 3.07Å; E482-M485 PolarHBondContact O-N 3.35Å; M485-R487 VanDerWaalsContact C-N 3.29Å; M485-R487 PolarHBondContact O-N 3.12Å; M485-Y488 HydrophobicContact CE-CD2 4.2Å; M485-Y488 HydrophobicContact CE-CE2 4.12Å; M485-Y488 PolarHBondContact O-N 2.79Å; M485-Y488 HydrophobicContact SD-CD2 4.08Å; M485-K489 VanDerWaalsContact O-CB 3.32Å; M485-K489 WeakPolarHBondContact O-CB 3.29Å; M485-K489 PolarHBondContact O-N 3.49Å; M485-D562 HydrophobicContact CE-CB 3.94Å; M485-D562 HydrophobicContact SD-CB 4.37Å; M485-Y566 HydrophobicContact CE-CD2 3.58Å; M485-Y566 HydrophobicContact CE-CE2 3.86Å; M485-Y566 HydrophobicContact CE-CG 4.42Å; M485-Y566 HydrophobicContact CG-CD2 4.1Å; M485-Y566 HydrophobicContact CG-CG 4.01Å; M485-Y566 HydrophobicContact SD-CD2 3.37Å; M485-Y566 WeakPolarHBondContact SD-CD2 3.39Å; M485-Y566 HydrophobicContact SD-CE2 4.24Å; M485-Y566 HydrophobicContact SD-CG 3.73Å; M485-V570 HydrophobicContact CB-CG2 4.02Å; M485-V570 HydrophobicContact CG-CG2 4.23Å; M485-V570 HydrophobicContact SD-CG2 3.75Å
486	E	94.2	Very high	90.1	Very high	74 Å²	74	60.4 Å²	60.4	35%	0.346	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-39.7	172.7	-83.2	-62.7	141.1	0	0	111.9	E482 K489 N490 H569	E482-E486 PolarHBondContact O-N 2.94Å; E486-K489 IonicContact OE1-NZ 2.71Å; E486-N490 WeakPolarHBondContact O-CB 3.29Å; E486-N490 PolarHBondContact O-N 3.25Å; E486-N490 PolarHBondContact O-ND2 2.79Å; E486-H569 IonicContact OE1-CE1 3.58Å; E486-H569 PolarHBondContact OE1-CE1 2.83Å
487	R	94.5	Very high	91.2	Very high	87 Å²	87	65.3 Å²	65.3	33%	0.328	33%	0.328	S	S	.	.	H	α-helix	trans	-68.2	-41.3	176.2	-75	167.7	174.2	-168.5	1	112.8	H474 S477 V483 T484 M485 N490 A491	H474-R487 HydrophobicContact CB-CB 3.9Å; S477-R487 PolarHBondContact OG-NH1 2.84Å; V483-R487 WeakPolarHBondContact O-CB 3.37Å; V483-R487 WeakPolarHBondContact O-CD 3.3Å; V483-R487 VanDerWaalsContact O-CG 3.25Å; V483-R487 WeakPolarHBondContact O-CG 3.23Å; V483-R487 PolarHBondContact O-N 2.86Å; V483-R487 VanDerWaalsContact O-N 3.08Å; T484-R487 WeakPolarHBondContact O-CB 3.03Å; T484-R487 PolarHBondContact O-N 2.67Å; M485-R487 VanDerWaalsContact C-N 3.29Å; M485-R487 PolarHBondContact O-N 3.12Å; R487-N490 PolarHBondContact O-N 2.8Å; R487-A491 PolarHBondContact O-N 3Å
488	Y	96.2	Very high	92.6	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-45.7	174.6	-70.3	-14.4	0	0	0	111.5	L471 H474 A475 T484 M485 N490 A491 I492 V559 D562	L471-Y488 HydrophobicContact CD2-CD1 3.66Å; L471-Y488 HydrophobicContact CD2-CE1 4.37Å; L471-Y488 HydrophobicContact CD2-CG 4.09Å; H474-Y488 HydrophobicContact CB-CD1 4.1Å; H474-Y488 HydrophobicContact CB-CE1 3.91Å; A475-Y488 WeakPolarHBondContact CA-OH 3.18Å; A475-Y488 WeakPolarHBondContact CB-OH 3.28Å; T484-Y488 HydrophobicContact CG2-CD2 4.35Å; T484-Y488 HydrophobicContact CG2-CE1 4.03Å; T484-Y488 HydrophobicContact CG2-CE2 3.81Å; T484-Y488 PolarHBondContact O-N 3.37Å; M485-Y488 HydrophobicContact CE-CD2 4.2Å; M485-Y488 HydrophobicContact CE-CE2 4.12Å; M485-Y488 PolarHBondContact O-N 2.79Å; M485-Y488 HydrophobicContact SD-CD2 4.08Å; Y488-N490 PolarHBondContact O-N 2.93Å; Y488-A491 WeakPolarHBondContact O-CB 3.43Å; Y488-A491 PolarHBondContact O-N 2.89Å; Y488-I492 WeakPolarHBondContact O-CG1 3.27Å; Y488-I492 PolarHBondContact O-N 3.11Å; Y488-V559 HydrophobicContact CE1-CG2 4.1Å; Y488-D562 HydrophobicContact CD2-CB 4.34Å; Y488-D562 HydrophobicContact CE2-CB 3.73Å; Y488-D562 PolarHBondContact OH-OD2 3Å
489	K	95.8	Very high	93.9	Very high	30 Å²	30	56 Å²	56	13%	0.13	28%	0.275	C	S	.	.	H	α-helix	trans	-52.3	-53.6	173.4	170.9	174.9	162.5	175.6	0	111.7	M485 E486 A491 I492 Q493 V570 D572	M485-K489 VanDerWaalsContact O-CB 3.32Å; M485-K489 WeakPolarHBondContact O-CB 3.29Å; M485-K489 PolarHBondContact O-N 3.49Å; E486-K489 IonicContact OE1-NZ 2.71Å; K489-A491 PolarHBondContact O-N 3Å; K489-I492 VanDerWaalsContact O-CG1 3.28Å; K489-I492 WeakPolarHBondContact O-CG1 3.49Å; K489-I492 PolarHBondContact O-N 3.26Å; K489-Q493 WeakPolarHBondContact O-CB 2.97Å; K489-Q493 VanDerWaalsContact O-CG 3.29Å; K489-Q493 WeakPolarHBondContact O-CG 3.38Å; K489-Q493 PolarHBondContact O-N 3.33Å; K489-V570 HydrophobicContact CB-CG1 4.42Å; K489-D572 WeakPolarHBondContact CE-OD1 3.23Å; K489-D572 WeakPolarHBondContact CE-OD2 3.48Å; K489-D572 IonicContact NZ-OD1 2.59Å; K489-D572 PolarHBondContact NZ-OD1 3.34Å; K489-D572 IonicContact NZ-OD2 2.64Å; K489-D572 PolarHBondContact NZ-OD2 3.27Å
490	N	95.9	Very high	94.7	Very high	88 Å²	88	56.1 Å²	56.1	47%	0.471	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-32.4	177.3	-77.5	-59.6	0	0	0	113.1	E486 R487 Y488	E486-N490 WeakPolarHBondContact O-CB 3.29Å; E486-N490 PolarHBondContact O-N 3.25Å; E486-N490 PolarHBondContact O-ND2 2.79Å; R487-N490 PolarHBondContact O-N 2.8Å; Y488-N490 PolarHBondContact O-N 2.93Å
491	A	96.1	Very high	95.2	Very high	3 Å²	3	54 Å²	54	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-73.1	-47.4	176.7	0	0	0	0	0	112	R470 L471 R487 Y488 K489 Q493 R494	R470-A491 HydrophobicContact CB-CB 4.12Å; L471-A491 HydrophobicContact CD2-CB 3.76Å; L471-A491 HydrophobicContact CG-CB 4.17Å; R487-A491 PolarHBondContact O-N 3Å; Y488-A491 WeakPolarHBondContact O-CB 3.43Å; Y488-A491 PolarHBondContact O-N 2.89Å; K489-A491 PolarHBondContact O-N 3Å; A491-Q493 PolarHBondContact O-N 2.74Å; A491-R494 WeakPolarHBondContact O-CB 3.49Å; A491-R494 PolarHBondContact O-N 2.78Å
492	I	97.1	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.5	-28	-178.3	63.9	165.6	0	0	0	112.8	L471 Y488 K489 R494 L495 Y500 L503 V570 F571	L471-I492 HydrophobicContact CD2-CG2 4.3Å; Y488-I492 WeakPolarHBondContact O-CG1 3.27Å; Y488-I492 PolarHBondContact O-N 3.11Å; K489-I492 VanDerWaalsContact O-CG1 3.28Å; K489-I492 WeakPolarHBondContact O-CG1 3.49Å; K489-I492 PolarHBondContact O-N 3.26Å; I492-R494 PolarHBondContact O-N 3.2Å; I492-R494 VanDerWaalsContact O-N 3.09Å; I492-L495 HydrophobicContact CB-CD1 4.02Å; I492-L495 HydrophobicContact CG2-CD1 4.39Å; I492-L495 WeakPolarHBondContact O-CB 3.37Å; I492-L495 WeakPolarHBondContact O-CD1 3Å; I492-L495 VanDerWaalsContact O-CG 3.27Å; I492-L495 WeakPolarHBondContact O-CG 3.37Å; I492-L495 PolarHBondContact O-N 3.19Å; I492-Y500 HydrophobicContact CD1-CE2 3.9Å; I492-Y500 HydrophobicContact CG1-CE2 4.11Å; I492-Y500 WeakPolarHBondContact O-CD2 3.35Å; I492-L503 HydrophobicContact CG2-CD2 4.17Å; I492-V570 HydrophobicContact CD1-CG1 3.54Å; I492-V570 HydrophobicContact CG1-CG1 4.37Å; I492-F571 HydrophobicContact CD1-CD1 3.78Å; I492-F571 HydrophobicContact CD1-CD2 4.5Å; I492-F571 HydrophobicContact CD1-CE1 3.46Å; I492-F571 VanDerWaalsContact CD1-CE1 3.46Å; I492-F571 HydrophobicContact CD1-CE2 4.22Å; I492-F571 HydrophobicContact CD1-CG 4.31Å; I492-F571 HydrophobicContact CD1-CZ 3.7Å
493	Q	96.5	Very high	96.1	Very high	93 Å²	93	43.8 Å²	43.8	44%	0.435	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14	174.8	-77.7	176.9	-12.5	0	0	113.4	K489 A491	K489-Q493 WeakPolarHBondContact O-CB 2.97Å; K489-Q493 VanDerWaalsContact O-CG 3.29Å; K489-Q493 WeakPolarHBondContact O-CG 3.38Å; K489-Q493 PolarHBondContact O-N 3.33Å; A491-Q493 PolarHBondContact O-N 2.74Å
494	R	97	Very high	96.4	Very high	147 Å²	147	43.4 Å²	43.4	56%	0.555	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.4	173.9	-60.8	179.4	65.8	94.5	3.4	113.7	I467 R470 A491 I492	I467-R494 HydrophobicContact CD1-CB 3.75Å; R470-R494 VanDerWaalsContact NH1-NE 3.17Å; R470-R494 VanDerWaalsContact NH2-CZ 3.34Å; A491-R494 WeakPolarHBondContact O-CB 3.49Å; A491-R494 PolarHBondContact O-N 2.78Å; I492-R494 PolarHBondContact O-N 3.2Å; I492-R494 VanDerWaalsContact O-N 3.09Å
495	L	97.2	Very high	96.7	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	20%	0.203	C	C	.	.	S	Bend	trans	-60.3	151.1	173.9	-71.9	167.3	0	0	0	110.1	P464 I467 I492 N499 L503	P464-L495 VanDerWaalsContact CD-CD2 3.5Å; P464-L495 HydrophobicContact CG-CD2 4.33Å; I467-L495 HydrophobicContact CB-CD2 4.19Å; I467-L495 HydrophobicContact CG1-CD2 3.79Å; I467-L495 HydrophobicContact CG1-CG 4.34Å; I467-L495 HydrophobicContact CG2-CD2 4.11Å; I467-L495 HydrophobicContact CG2-CG 4.28Å; I492-L495 HydrophobicContact CB-CD1 4.02Å; I492-L495 HydrophobicContact CG2-CD1 4.39Å; I492-L495 WeakPolarHBondContact O-CB 3.37Å; I492-L495 WeakPolarHBondContact O-CD1 3Å; I492-L495 VanDerWaalsContact O-CG 3.27Å; I492-L495 WeakPolarHBondContact O-CG 3.37Å; I492-L495 PolarHBondContact O-N 3.19Å; L495-N499 HydrophobicContact CB-CB 4.03Å; L495-N499 HydrophobicContact CD2-CB 4.05Å; L495-N499 HydrophobicContact CG-CB 4.49Å; L495-L503 HydrophobicContact CD1-CD2 3.69Å
496	S	96.2	Very high	96.9	Very high	58 Å²	58	45.1 Å²	45.1	41%	0.406	20%	0.202	S	C	.	.			trans	-57.5	153.5	169.1	100.7	0	0	0	0	110	V498 N499 Y500	S496-V498 PolarHBondContact O-N 3.15Å; S496-V498 VanDerWaalsContact O-N 3.15Å; S496-N499 PolarHBondContact O-N 2.7Å; S496-N499 PolarHBondContact OG-N 2.57Å; S496-N499 PolarHBondContact OG-OD1 2.94Å; S496-Y500 PolarHBondContact O-N 2.86Å
497	R	95.4	Very high	97.1	Very high	161 Å²	161	41.6 Å²	41.6	61%	0.608	19%	0.186	S	C	*	.	H	α-helix	trans	-47.4	-46.7	-179.3	-179.8	179.8	172.4	-169.3	-1.6	112.9	D371 A501	D371-R497 HydrophobicContact CB-CG 4.35Å; D371-R497 VanDerWaalsContact CG-CZ 3.43Å; D371-R497 VanDerWaalsContact CG-NH2 3.3Å; D371-R497 IonicContact OD1-CZ 2.69Å; D371-R497 IonicContact OD1-NE 2.82Å; D371-R497 PolarHBondContact OD1-NE 2.86Å; D371-R497 VanDerWaalsContact OD1-NE 3.16Å; D371-R497 IonicContact OD1-NH1 3.61Å; D371-R497 IonicContact OD1-NH2 2.79Å; D371-R497 PolarHBondContact OD1-NH2 2.89Å; D371-R497 VanDerWaalsContact OD1-NH2 3.11Å; D371-R497 IonicContact OD2-CZ 2.67Å; D371-R497 IonicContact OD2-NE 3.72Å; D371-R497 PolarHBondContact OD2-NE 3.08Å; D371-R497 IonicContact OD2-NH2 3.25Å; D371-R497 PolarHBondContact OD2-NH2 2.82Å; R497-A501 WeakPolarHBondContact O-CB 3.42Å; R497-A501 PolarHBondContact O-N 3.35Å; R497-A501 VanDerWaalsContact O-N 3.07Å
498	V	97	Very high	97.1	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-43.3	-179.2	-178.3	0	0	0	0	110.9	L362 L367 P373 S496 T502	L362-V498 HydrophobicContact CD2-CG1 4.3Å; L362-V498 HydrophobicContact CG-CG1 3.95Å; L367-V498 HydrophobicContact CD1-CG2 3.79Å; L367-V498 HydrophobicContact CD2-CG1 3.82Å; L367-V498 HydrophobicContact CD2-CG2 4.39Å; P373-V498 HydrophobicContact CG-CG1 4.46Å; S496-V498 PolarHBondContact O-N 3.15Å; S496-V498 VanDerWaalsContact O-N 3.15Å; V498-T502 VanDerWaalsContact O-CB 3.23Å; V498-T502 WeakPolarHBondContact O-CB 3.04Å; V498-T502 PolarHBondContact O-N 3.2Å; V498-T502 PolarHBondContact O-OG1 2.64Å
499	N	98.2	Very high	97.2	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.064	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-45.8	178.8	-66.1	60.8	0	0	0	111.3	L362 L462 L495 S496 T502 L503	L362-N499 HydrophobicContact CD2-CB 4.25Å; L462-N499 PolarHBondContact O-ND2 2.81Å; L495-N499 HydrophobicContact CB-CB 4.03Å; L495-N499 HydrophobicContact CD2-CB 4.05Å; L495-N499 HydrophobicContact CG-CB 4.49Å; S496-N499 PolarHBondContact O-N 2.7Å; S496-N499 PolarHBondContact OG-N 2.57Å; S496-N499 PolarHBondContact OG-OD1 2.94Å; N499-T502 PolarHBondContact O-N 3.26Å; N499-L503 VanDerWaalsContact O-CB 3.26Å; N499-L503 WeakPolarHBondContact O-CB 3.38Å; N499-L503 PolarHBondContact O-N 3.1Å
500	Y	98.3	Very high	97.3	Very high	54 Å²	54	37.9 Å²	37.9	21%	0.212	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-51.2	177.6	-179.6	-96.7	0	0	0	111.5	I492 S496 T502 L503 R504 F571	I492-Y500 HydrophobicContact CD1-CE2 3.9Å; I492-Y500 HydrophobicContact CG1-CE2 4.11Å; I492-Y500 WeakPolarHBondContact O-CD2 3.35Å; S496-Y500 PolarHBondContact O-N 2.86Å; Y500-T502 VanDerWaalsContact C-N 3.33Å; Y500-T502 PolarHBondContact O-N 2.89Å; Y500-L503 PolarHBondContact O-N 3.49Å; Y500-R504 VanDerWaalsContact O-CB 3.3Å; Y500-R504 WeakPolarHBondContact O-CB 2.95Å; Y500-R504 PolarHBondContact O-N 3.34Å; Y500-F571 AromaticContact CE2-CD1 3.99Å; Y500-F571 HydrophobicContact CE2-CD1 3.99Å; Y500-F571 HydrophobicContact CE2-CE1 4.18Å; Y500-F571 AromaticContact CZ-CD1 3.91Å
501	A	97.9	Very high	97.3	Very high	17 Å²	17	36 Å²	36	14%	0.14	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-43	-179.9	0	0	0	0	0	112	D370 D371 V372 R497 R504 K505	D370-A501 WeakPolarHBondContact O-CB 3.43Å; D371-A501 HydrophobicContact CB-CB 3.99Å; V372-A501 HydrophobicContact CG2-CB 4.26Å; R497-A501 WeakPolarHBondContact O-CB 3.42Å; R497-A501 PolarHBondContact O-N 3.35Å; R497-A501 VanDerWaalsContact O-N 3.07Å; A501-R504 PolarHBondContact O-N 2.63Å; A501-K505 WeakPolarHBondContact O-CB 3.44Å; A501-K505 PolarHBondContact O-N 3.42Å
502	T	98.6	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-45.2	178.3	-55.5	0	0	0	0	111.6	P373 V376 F455 L462 V498 N499 Y500 K505 L506	P373-T502 WeakPolarHBondContact CD-OG1 3.22Å; V376-T502 HydrophobicContact CG1-CG2 4.26Å; V376-T502 HydrophobicContact CG2-CG2 4.2Å; F455-T502 HydrophobicContact CE1-CG2 3.73Å; F455-T502 HydrophobicContact CZ-CG2 3.93Å; L462-T502 HydrophobicContact CD1-CG2 3.76Å; L462-T502 HydrophobicContact CD2-CG2 4.4Å; V498-T502 VanDerWaalsContact O-CB 3.23Å; V498-T502 WeakPolarHBondContact O-CB 3.04Å; V498-T502 PolarHBondContact O-N 3.2Å; V498-T502 PolarHBondContact O-OG1 2.64Å; N499-T502 PolarHBondContact O-N 3.26Å; Y500-T502 VanDerWaalsContact C-N 3.33Å; Y500-T502 PolarHBondContact O-N 2.89Å; T502-K505 PolarHBondContact O-N 3.47Å; T502-L506 WeakPolarHBondContact O-CB 3.1Å; T502-L506 PolarHBondContact O-N 3.48Å
503	L	98.4	Very high	97.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-46	176.8	-178.6	66.3	0	0	0	111	L462 V463 I492 L495 N499 Y500 K505 L506 V507 F571	L462-L503 HydrophobicContact CD2-CB 4.15Å; L462-L503 HydrophobicContact CD2-CD1 3.92Å; L462-L503 HydrophobicContact CG-CB 4.47Å; V463-L503 HydrophobicContact CG2-CD1 4.22Å; V463-L503 HydrophobicContact CG2-CD2 4.13Å; I492-L503 HydrophobicContact CG2-CD2 4.17Å; L495-L503 HydrophobicContact CD1-CD2 3.69Å; N499-L503 VanDerWaalsContact O-CB 3.26Å; N499-L503 WeakPolarHBondContact O-CB 3.38Å; N499-L503 PolarHBondContact O-N 3.1Å; Y500-L503 PolarHBondContact O-N 3.49Å; L503-K505 PolarHBondContact O-N 2.97Å; L503-L506 PolarHBondContact O-N 3.12Å; L503-V507 HydrophobicContact CD1-CG2 3.99Å; L503-V507 HydrophobicContact CG-CG2 4.27Å; L503-V507 VanDerWaalsContact O-CG2 3.29Å; L503-V507 WeakPolarHBondContact O-CG2 3.32Å; L503-V507 PolarHBondContact O-N 2.8Å; L503-F571 HydrophobicContact CD2-CZ 4.28Å; L503-F571 HydrophobicContact CG-CE1 4.49Å; L503-F571 HydrophobicContact CG-CZ 4.11Å
504	R	98	Very high	97.1	Very high	51 Å²	51	33.7 Å²	33.7	19%	0.192	15%	0.15	C	C	.	.	H	α-helix	trans	-56.8	-50	176.8	-176.3	-180	-172.8	-86.5	13.5	111.5	Y500 A501 L506 V507 K508 Y567 F571 E577	Y500-R504 VanDerWaalsContact O-CB 3.3Å; Y500-R504 WeakPolarHBondContact O-CB 2.95Å; Y500-R504 PolarHBondContact O-N 3.34Å; A501-R504 PolarHBondContact O-N 2.63Å; R504-L506 VanDerWaalsContact C-N 3.34Å; R504-L506 PolarHBondContact O-N 3.37Å; R504-V507 PolarHBondContact O-N 3.33Å; R504-K508 WeakPolarHBondContact O-CB 3.34Å; R504-K508 PolarHBondContact O-N 2.87Å; R504-Y567 HydrophobicContact CG-CE2 4.15Å; R504-F571 VanDerWaalsContact CA-CE1 3.47Å; R504-F571 HydrophobicContact CB-CD1 3.54Å; R504-F571 HydrophobicContact CB-CE1 3.6Å; R504-F571 HydrophobicContact CB-CG 4.39Å; R504-F571 HydrophobicContact CG-CB 4.17Å; R504-F571 HydrophobicContact CG-CD1 3.54Å; R504-F571 HydrophobicContact CG-CE1 4.1Å; R504-F571 HydrophobicContact CG-CG 3.97Å; R504-E577 IonicContact CZ-OE1 3.48Å; R504-E577 IonicContact CZ-OE2 3.97Å; R504-E577 IonicContact NH1-OE1 2.63Å; R504-E577 PolarHBondContact NH1-OE1 3Å; R504-E577 IonicContact NH1-OE2 3.11Å; R504-E577 IonicContact NH2-OE1 2.67Å; R504-E577 PolarHBondContact NH2-OE1 3.31Å; R504-E577 IonicContact NH2-OE2 3.9Å; R504-E577 PolarHBondContact NH2-OE2 2.82Å
505	K	97.5	Very high	96.9	Very high	49 Å²	49	32 Å²	32	21%	0.213	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-40.8	179.6	-168	77.5	172.7	-159.8	0	111.8	V372 L380 A501 T502 L503 H509	V372-K505 HydrophobicContact CG1-CG 4.44Å; V372-K505 HydrophobicContact CG2-CB 3.99Å; V372-K505 HydrophobicContact CG2-CG 4.29Å; L380-K505 HydrophobicContact CD1-CB 4.4Å; L380-K505 HydrophobicContact CD1-CG 3.77Å; A501-K505 WeakPolarHBondContact O-CB 3.44Å; A501-K505 PolarHBondContact O-N 3.42Å; T502-K505 PolarHBondContact O-N 3.47Å; L503-K505 PolarHBondContact O-N 2.97Å; K505-H509 PolarHBondContact O-N 3.16Å; K505-H509 VanDerWaalsContact O-N 3.15Å
506	L	98.6	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-51.4	176.9	178	63.1	0	0	0	111.6	L380 L451 F455 L462 T502 L503 R504 K508 H509 L510 F531 L535	L380-L506 HydrophobicContact CD2-CD1 4.11Å; L451-L506 HydrophobicContact CD2-CD1 4.36Å; F455-L506 HydrophobicContact CE2-CD1 4.22Å; F455-L506 HydrophobicContact CE2-CD2 3.88Å; F455-L506 HydrophobicContact CZ-CD2 3.99Å; L462-L506 HydrophobicContact CD2-CD2 4.11Å; T502-L506 WeakPolarHBondContact O-CB 3.1Å; T502-L506 PolarHBondContact O-N 3.48Å; L503-L506 PolarHBondContact O-N 3.12Å; R504-L506 VanDerWaalsContact C-N 3.34Å; R504-L506 PolarHBondContact O-N 3.37Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.22Å; L506-H509 WeakPolarHBondContact O-CB 3.4Å; L506-H509 PolarHBondContact O-N 2.63Å; L506-H509 VanDerWaalsContact O-N 3.12Å; L506-L510 HydrophobicContact CD1-CG 4.4Å; L506-L510 HydrophobicContact CG-CD1 4.36Å; L506-L510 WeakPolarHBondContact O-CG 3.12Å; L506-L510 PolarHBondContact O-N 3.15Å; L506-F531 HydrophobicContact CD1-CE1 3.96Å; L506-F531 HydrophobicContact CD1-CZ 4.32Å; L506-F531 HydrophobicContact CD2-CD1 4.26Å; L506-F531 HydrophobicContact CD2-CE1 4.41Å; L506-L535 HydrophobicContact CD2-CD1 3.6Å; L506-L535 HydrophobicContact CD2-CD2 3.66Å; L506-L535 HydrophobicContact CD2-CG 4.23Å
507	V	98.2	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-39	-178.3	177.1	0	0	0	0	111	L503 R504 H509 L510 K511 L563 I564 Y567 F571	L503-V507 HydrophobicContact CD1-CG2 3.99Å; L503-V507 HydrophobicContact CG-CG2 4.27Å; L503-V507 VanDerWaalsContact O-CG2 3.29Å; L503-V507 WeakPolarHBondContact O-CG2 3.32Å; L503-V507 PolarHBondContact O-N 2.8Å; R504-V507 PolarHBondContact O-N 3.33Å; V507-H509 PolarHBondContact O-N 2.69Å; V507-L510 PolarHBondContact O-N 3.11Å; V507-K511 PolarHBondContact O-N 2.66Å; V507-L563 HydrophobicContact CG1-CB 4.34Å; V507-L563 WeakPolarHBondContact CG1-O 3.38Å; V507-I564 HydrophobicContact CG1-CG1 4.22Å; V507-Y567 HydrophobicContact CB-CD2 4.19Å; V507-Y567 HydrophobicContact CG1-CD2 3.74Å; V507-Y567 HydrophobicContact CG1-CG 4.43Å; V507-F571 HydrophobicContact CB-CE2 4.06Å; V507-F571 HydrophobicContact CB-CZ 4.33Å; V507-F571 HydrophobicContact CG1-CE2 3.98Å; V507-F571 HydrophobicContact CG2-CE2 4.26Å; V507-F571 HydrophobicContact CG2-CZ 4.21Å
508	K	96.1	Very high	96.7	Very high	36 Å²	36	32.5 Å²	32.5	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-53.1	-52.8	170.5	-177.6	178.1	165.6	166.7	0	111.7	R504 L506 L510 K511 E512 Y567 E581	R504-K508 WeakPolarHBondContact O-CB 3.34Å; R504-K508 PolarHBondContact O-N 2.87Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.22Å; K508-L510 VanDerWaalsContact C-N 3.32Å; K508-L510 PolarHBondContact O-N 2.67Å; K508-K511 WeakPolarHBondContact O-CB 3.27Å; K508-K511 PolarHBondContact O-N 2.69Å; K508-K511 VanDerWaalsContact O-N 3.16Å; K508-E512 WeakPolarHBondContact CE-OE1 3.28Å; K508-E512 WeakPolarHBondContact O-CG 3.43Å; K508-E512 PolarHBondContact O-N 3.15Å; K508-Y567 HydrophobicContact CB-CE1 4.16Å; K508-Y567 HydrophobicContact CB-CE2 3.72Å; K508-Y567 WeakPolarHBondContact CB-OH 3.46Å; K508-Y567 HydrophobicContact CG-CE1 4.11Å; K508-E581 WeakPolarHBondContact CE-OE1 3.49Å; K508-E581 IonicContact NZ-OE1 3.03Å; K508-E581 PolarHBondContact NZ-OE1 2.71Å
509	H	96.8	Very high	96.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-40.5	178.9	173.9	79.9	0	0	0	112.2	L380 I383 S384 H394 K505 L506 V507 K511 E512 V513	L380-H509 HydrophobicContact CD1-CB 4.38Å; L380-H509 HydrophobicContact CD2-CB 3.83Å; L380-H509 VanDerWaalsContact CD2-CD2 3.45Å; L380-H509 WeakPolarHBondContact CD2-CD2 3.02Å; I383-H509 VanDerWaalsContact CG2-CE1 3.46Å; I383-H509 WeakPolarHBondContact CG2-CE1 3.49Å; S384-H509 PolarHBondContact OG-ND1 3.48Å; H394-H509 AromaticContact CE1-NE2 3.59Å; H394-H509 AromaticContact NE2-CD2 3.47Å; H394-H509 PolarHBondContact NE2-CD2 3.4Å; H394-H509 AromaticContact NE2-NE2 2.92Å; H394-H509 PolarHBondContact NE2-NE2 3.29Å; K505-H509 PolarHBondContact O-N 3.16Å; K505-H509 VanDerWaalsContact O-N 3.15Å; L506-H509 WeakPolarHBondContact O-CB 3.4Å; L506-H509 PolarHBondContact O-N 2.63Å; L506-H509 VanDerWaalsContact O-N 3.12Å; V507-H509 PolarHBondContact O-N 2.69Å; H509-K511 VanDerWaalsContact C-N 3.33Å; H509-K511 PolarHBondContact O-N 2.77Å; H509-E512 WeakPolarHBondContact O-CB 3.35Å; H509-E512 PolarHBondContact O-N 3.33Å; H509-V513 WeakPolarHBondContact O-CG2 3.43Å; H509-V513 PolarHBondContact O-N 3.08Å
510	L	98.1	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-40.4	176.1	-62.9	-178.3	0	0	0	111.4	L506 V507 K508 V513 T514 L527 F531 I564	L506-L510 HydrophobicContact CD1-CG 4.4Å; L506-L510 HydrophobicContact CG-CD1 4.36Å; L506-L510 WeakPolarHBondContact O-CG 3.12Å; L506-L510 PolarHBondContact O-N 3.15Å; V507-L510 PolarHBondContact O-N 3.11Å; K508-L510 VanDerWaalsContact C-N 3.32Å; K508-L510 PolarHBondContact O-N 2.67Å; L510-V513 PolarHBondContact O-N 2.86Å; L510-T514 WeakPolarHBondContact O-CG2 3.45Å; L510-T514 PolarHBondContact O-N 2.94Å; L510-T514 VanDerWaalsContact O-N 3.12Å; L510-L527 HydrophobicContact CB-CD1 4.34Å; L510-L527 HydrophobicContact CD2-CD1 4.41Å; L510-L527 HydrophobicContact CD2-CD2 4.28Å; L510-F531 HydrophobicContact CD1-CD2 3.93Å; L510-F531 HydrophobicContact CD1-CE2 4.33Å; L510-F531 HydrophobicContact CD1-CG 4.15Å; L510-F531 HydrophobicContact CD2-CD2 3.81Å; L510-F531 HydrophobicContact CD2-CE2 3.42Å; L510-F531 VanDerWaalsContact CD2-CE2 3.42Å; L510-F531 HydrophobicContact CD2-CZ 3.98Å; L510-F531 HydrophobicContact CG-CE2 4.49Å; L510-I564 HydrophobicContact CB-CD1 4.04Å; L510-I564 HydrophobicContact CB-CG1 4.07Å; L510-I564 HydrophobicContact CD1-CD1 3.91Å; L510-I564 HydrophobicContact CD1-CG1 4.3Å
511	K	95.8	Very high	96.4	Very high	48 Å²	48	38.4 Å²	38.4	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-47.3	172.5	178.4	61.2	163.5	-154.4	0	111.1	V507 K508 H509 V513 T514 L515 I564 L565	V507-K511 PolarHBondContact O-N 2.66Å; K508-K511 WeakPolarHBondContact O-CB 3.27Å; K508-K511 PolarHBondContact O-N 2.69Å; K508-K511 VanDerWaalsContact O-N 3.16Å; H509-K511 VanDerWaalsContact C-N 3.33Å; H509-K511 PolarHBondContact O-N 2.77Å; K511-V513 VanDerWaalsContact C-N 3.32Å; K511-V513 PolarHBondContact O-N 2.86Å; K511-T514 PolarHBondContact O-N 2.82Å; K511-T514 VanDerWaalsContact O-N 3.08Å; K511-T514 PolarHBondContact O-OG1 3.26Å; K511-L515 PolarHBondContact O-N 2.88Å; K511-I564 HydrophobicContact CB-CG2 4.39Å; K511-I564 WeakPolarHBondContact CD-O 3.19Å; K511-L565 PolarHBondContact NZ-O 3.47Å
512	E	93.9	Very high	96.3	Very high	33 Å²	33	37.7 Å²	37.7	15%	0.154	18%	0.178	C	C	.	.	H	α-helix	trans	-55	-45.6	174.9	-70.5	172.8	-175.3	0	0	111.7	S384 L388 K508 H509 T514 L515 Y516	S384-E512 PolarHBondContact OG-OE2 2.85Å; L388-E512 HydrophobicContact CD2-CB 4.43Å; K508-E512 WeakPolarHBondContact CE-OE1 3.28Å; K508-E512 WeakPolarHBondContact O-CG 3.43Å; K508-E512 PolarHBondContact O-N 3.15Å; H509-E512 WeakPolarHBondContact O-CB 3.35Å; H509-E512 PolarHBondContact O-N 3.33Å; E512-T514 VanDerWaalsContact C-N 3.29Å; E512-T514 PolarHBondContact O-N 2.74Å; E512-L515 WeakPolarHBondContact O-CB 3.43Å; E512-L515 PolarHBondContact O-N 3.11Å; E512-L515 VanDerWaalsContact O-N 3.15Å; E512-Y516 WeakPolarHBondContact O-CD2 3.41Å
513	V	96.4	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-39.9	177	173.2	0	0	0	0	111.6	L388 I393 H509 L510 K511 L515 Y516 N520 M522 L527	L388-V513 HydrophobicContact CD2-CG2 3.75Å; I393-V513 HydrophobicContact CG2-CG1 3.67Å; H509-V513 WeakPolarHBondContact O-CG2 3.43Å; H509-V513 PolarHBondContact O-N 3.08Å; L510-V513 PolarHBondContact O-N 2.86Å; K511-V513 VanDerWaalsContact C-N 3.32Å; K511-V513 PolarHBondContact O-N 2.86Å; V513-L515 PolarHBondContact O-N 3Å; V513-Y516 PolarHBondContact O-N 3.23Å; V513-Y516 VanDerWaalsContact O-N 3.11Å; V513-N520 PolarHBondContact O-ND2 3.3Å; V513-M522 HydrophobicContact CG1-CB 4.09Å; V513-L527 HydrophobicContact CB-CD1 4.11Å; V513-L527 HydrophobicContact CG1-CD1 3.91Å; V513-L527 HydrophobicContact CG1-CD2 4.26Å
514	T	96.2	Very high	96.2	Very high	15 Å²	15	42.3 Å²	42.3	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-24.1	180	64.5	0	0	0	0	113.9	L510 K511 E512 Y516 S517 V524 L527 I564	L510-T514 WeakPolarHBondContact O-CG2 3.45Å; L510-T514 PolarHBondContact O-N 2.94Å; L510-T514 VanDerWaalsContact O-N 3.12Å; K511-T514 PolarHBondContact O-N 2.82Å; K511-T514 VanDerWaalsContact O-N 3.08Å; K511-T514 PolarHBondContact O-OG1 3.26Å; E512-T514 VanDerWaalsContact C-N 3.29Å; E512-T514 PolarHBondContact O-N 2.74Å; T514-Y516 PolarHBondContact O-N 3.04Å; T514-S517 WeakPolarHBondContact O-CB 3.43Å; T514-S517 PolarHBondContact O-N 2.8Å; T514-S517 VanDerWaalsContact O-N 3.1Å; T514-S517 PolarHBondContact O-OG 2.99Å; T514-V524 HydrophobicContact CG2-CB 4.5Å; T514-V524 HydrophobicContact CG2-CG2 3.78Å; T514-L527 HydrophobicContact CG2-CD1 3.58Å; T514-I564 HydrophobicContact CG2-CG2 4.23Å
515	L	92.5	Very high	96.1	Very high	112 Å²	112	44.4 Å²	44.4	59%	0.586	22%	0.216	S	C	*	.	H	α-helix	trans	-64.4	-22.4	174.9	-58.8	178.7	0	0	0	112.2	K511 E512 V513	K511-L515 PolarHBondContact O-N 2.88Å; E512-L515 WeakPolarHBondContact O-CB 3.43Å; E512-L515 PolarHBondContact O-N 3.11Å; E512-L515 VanDerWaalsContact O-N 3.15Å; V513-L515 PolarHBondContact O-N 3Å
516	Y	93.9	Very high	96	Very high	51 Å²	51	45.3 Å²	45.3	20%	0.2	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	16	177.6	-62.9	-93.5	0	0	0	112.5	L388 R389 E512 V513 T514 E518 I519 N520	L388-Y516 HydrophobicContact CB-CD2 3.93Å; L388-Y516 HydrophobicContact CB-CE2 4.16Å; L388-Y516 HydrophobicContact CB-CG 4.25Å; L388-Y516 HydrophobicContact CD1-CD2 4.22Å; L388-Y516 HydrophobicContact CD1-CE2 3.75Å; L388-Y516 VanDerWaalsContact O-CB 3.31Å; L388-Y516 WeakPolarHBondContact O-CB 3.45Å; R389-Y516 HydrophobicContact CG-CD1 3.97Å; R389-Y516 HydrophobicContact CG-CE1 4.31Å; E512-Y516 WeakPolarHBondContact O-CD2 3.41Å; V513-Y516 PolarHBondContact O-N 3.23Å; V513-Y516 VanDerWaalsContact O-N 3.11Å; T514-Y516 PolarHBondContact O-N 3.04Å; Y516-E518 PolarHBondContact O-N 2.9Å; Y516-E518 VanDerWaalsContact O-N 3.11Å; Y516-I519 PolarHBondContact O-N 2.63Å; Y516-N520 WeakPolarHBondContact CB-ND2 3.3Å; Y516-N520 PolarHBondContact O-N 2.74Å; Y516-N520 PolarHBondContact O-ND2 3.22Å; Y516-N520 PolarHBondContact O-OD1 3.31Å
517	S	95.1	Very high	95.9	Very high	36 Å²	36	45.3 Å²	45.3	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-28.2	-175.5	54.9	0	0	0	0	114.3	T514 I519 N520 K521 M522	T514-S517 WeakPolarHBondContact O-CB 3.43Å; T514-S517 PolarHBondContact O-N 2.8Å; T514-S517 VanDerWaalsContact O-N 3.1Å; T514-S517 PolarHBondContact O-OG 2.99Å; S517-I519 VanDerWaalsContact C-N 3.27Å; S517-I519 PolarHBondContact O-N 3.47Å; S517-N520 VanDerWaalsContact CA-OD1 3.31Å; S517-N520 WeakPolarHBondContact CA-OD1 3.5Å; S517-K521 WeakPolarHBondContact O-CA 3.36Å; S517-K521 PolarHBondContact O-N 3.19Å; S517-M522 WeakPolarHBondContact CB-O 3.4Å
518	E	95.2	Very high	95.8	Very high	156 Å²	156	45.3 Å²	45.3	73%	0.729	22%	0.223	S	C	*	.	H	α-helix	trans	-64.9	-30.4	174.5	-65.3	-59.4	165.2	0	0	113.4	Y516 K521	Y516-E518 PolarHBondContact O-N 2.9Å; Y516-E518 VanDerWaalsContact O-N 3.11Å; E518-K521 WeakPolarHBondContact O-CE 3.23Å; E518-K521 PolarHBondContact O-NZ 3.21Å
519	I	94.1	Very high	95.7	Very high	84 Å²	84	47.4 Å²	47.4	43%	0.431	24%	0.241	S	C	.	.	H	α-helix	trans	-95.3	-55.3	-180	-59.3	170.1	0	0	0	109.4	R389 Y516 S517 K521	R389-I519 HydrophobicContact CB-CG2 4.14Å; R389-I519 WeakPolarHBondContact O-CG2 3.06Å; Y516-I519 PolarHBondContact O-N 2.63Å; S517-I519 VanDerWaalsContact C-N 3.27Å; S517-I519 PolarHBondContact O-N 3.47Å; I519-K521 VanDerWaalsContact C-N 3.32Å; I519-K521 PolarHBondContact O-N 3.11Å
520	N	95.7	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-79.9	-10.4	-173.5	69.2	34.5	0	0	0	114.2	L388 T390 E391 G392 I393 V513 Y516 S517 M522	L388-N520 WeakPolarHBondContact O-CB 3.48Å; L388-N520 PolarHBondContact O-ND2 3.23Å; T390-N520 VanDerWaalsContact O-CB 3.26Å; T390-N520 WeakPolarHBondContact O-CB 3.25Å; E391-N520 WeakPolarHBondContact CA-O 3.46Å; G392-N520 PolarHBondContact N-O 3.25Å; I393-N520 HydrophobicContact CG2-CB 4.2Å; V513-N520 PolarHBondContact O-ND2 3.3Å; Y516-N520 WeakPolarHBondContact CB-ND2 3.3Å; Y516-N520 PolarHBondContact O-N 2.74Å; Y516-N520 PolarHBondContact O-ND2 3.22Å; Y516-N520 PolarHBondContact O-OD1 3.31Å; S517-N520 VanDerWaalsContact CA-OD1 3.31Å; S517-N520 WeakPolarHBondContact CA-OD1 3.5Å; N520-M522 PolarHBondContact O-N 2.87Å; N520-M522 WeakPolarHBondContact OD1-CA 3.48Å; N520-M522 VanDerWaalsContact OD1-CB 3.31Å; N520-M522 WeakPolarHBondContact OD1-CB 3.49Å; N520-M522 PolarHBondContact OD1-N 3.03Å
521	K	96.9	Very high	95.4	Very high	114 Å²	114	48.9 Å²	48.9	50%	0.496	25%	0.249	S	C	.	.			trans	64.2	17.3	-179.3	-49	-54.7	-176.5	-172.2	0	115.3	E391 S517 E518 I519 N526	E391-K521 HydrophobicContact CG-CB 4.49Å; E391-K521 HydrophobicContact CG-CG 4.06Å; S517-K521 WeakPolarHBondContact O-CA 3.36Å; S517-K521 PolarHBondContact O-N 3.19Å; E518-K521 WeakPolarHBondContact O-CE 3.23Å; E518-K521 PolarHBondContact O-NZ 3.21Å; I519-K521 VanDerWaalsContact C-N 3.32Å; I519-K521 PolarHBondContact O-N 3.11Å; K521-N526 PolarHBondContact O-ND2 2.79Å
522	M	96.6	Very high	95.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.243	C	C	.	.			trans	-108.2	89.8	-178.7	-60.9	-56.1	-62.1	0	0	111.2	I393 R395 V513 S517 N520 N526 L527 I530	I393-M522 HydrophobicContact CG2-CG 4.04Å; I393-M522 WeakPolarHBondContact O-CG 3.41Å; R395-M522 HydrophobicContact CB-CE 3.85Å; R395-M522 HydrophobicContact CB-SD 3.91Å; V513-M522 HydrophobicContact CG1-CB 4.09Å; S517-M522 WeakPolarHBondContact CB-O 3.4Å; N520-M522 PolarHBondContact O-N 2.87Å; N520-M522 WeakPolarHBondContact OD1-CA 3.48Å; N520-M522 VanDerWaalsContact OD1-CB 3.31Å; N520-M522 WeakPolarHBondContact OD1-CB 3.49Å; N520-M522 PolarHBondContact OD1-N 3.03Å; M522-N526 HydrophobicContact CE-CB 3.73Å; M522-N526 HydrophobicContact SD-CB 4.34Å; M522-L527 HydrophobicContact CB-CD2 4.11Å; M522-L527 HydrophobicContact CB-CG 4.22Å; M522-L527 HydrophobicContact CE-CD2 3.76Å; M522-L527 HydrophobicContact CE-CG 4.28Å; M522-I530 HydrophobicContact CE-CD1 3.39Å
523	N	96	Very high	95.1	Very high	71 Å²	71	50.2 Å²	50.2	38%	0.38	27%	0.266	S	S	.	.			trans	-79.1	174.3	171	68	28.2	0	0	0	111.7	Q525 N526 L527	N523-Q525 VanDerWaalsContact C-N 3.27Å; N523-Q525 PolarHBondContact O-N 2.92Å; N523-Q525 PolarHBondContact OD1-N 2.85Å; N523-Q525 VanDerWaalsContact OD1-N 3.13Å; N523-N526 PolarHBondContact O-N 3.31Å; N523-N526 PolarHBondContact OD1-N 2.7Å; N523-L527 PolarHBondContact O-N 3.34Å; N523-L527 VanDerWaalsContact O-N 3.11Å
524	V	97.7	Very high	95	Very high	26 Å²	26	51.5 Å²	51.5	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-53.1	-43.4	-180	176.8	0	0	0	0	112	T514 L527 A528 A561 I564	T514-V524 HydrophobicContact CG2-CB 4.5Å; T514-V524 HydrophobicContact CG2-CG2 3.78Å; V524-L527 PolarHBondContact O-N 3.14Å; V524-A528 VanDerWaalsContact O-CB 3.26Å; V524-A528 WeakPolarHBondContact O-CB 3.38Å; V524-A528 PolarHBondContact O-N 3.46Å; V524-A561 HydrophobicContact CG1-CB 3.84Å; V524-A561 WeakPolarHBondContact CG1-O 3.4Å; V524-I564 HydrophobicContact CG1-CB 4.2Å; V524-I564 HydrophobicContact CG1-CG2 4.27Å; V524-I564 HydrophobicContact CG2-CG2 4.13Å
525	Q	96.1	Very high	95	Very high	95 Å²	95	50.8 Å²	50.8	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-42.6	-176.1	-56.3	-57.4	-29.1	0	0	111.7	N523 A528 C529 F557	N523-Q525 VanDerWaalsContact C-N 3.27Å; N523-Q525 PolarHBondContact O-N 2.92Å; N523-Q525 PolarHBondContact OD1-N 2.85Å; N523-Q525 VanDerWaalsContact OD1-N 3.13Å; Q525-A528 PolarHBondContact O-N 2.67Å; Q525-C529 WeakPolarHBondContact O-CB 3.46Å; Q525-C529 PolarHBondContact O-N 3.23Å; Q525-F557 HydrophobicContact CB-CZ 4.1Å; Q525-F557 WeakPolarHBondContact O-CE2 3.24Å
526	N	95.6	Very high	95.1	Very high	68 Å²	68	46 Å²	46	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-44.6	177.3	-69.5	-9.4	0	0	0	111.2	K521 M522 N523 C529 I530	K521-N526 PolarHBondContact O-ND2 2.79Å; M522-N526 HydrophobicContact CE-CB 3.73Å; M522-N526 HydrophobicContact SD-CB 4.34Å; N523-N526 PolarHBondContact O-N 3.31Å; N523-N526 PolarHBondContact OD1-N 2.7Å; N526-C529 PolarHBondContact O-N 2.76Å; N526-I530 WeakPolarHBondContact O-CD1 3.5Å; N526-I530 WeakPolarHBondContact O-CG1 3.09Å; N526-I530 PolarHBondContact O-N 2.8Å
527	L	97.3	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-41.2	177.2	-67.8	173.6	0	0	0	111.8	H394 L510 V513 T514 M522 N523 V524 C529 I530 F531 I564	H394-L527 HydrophobicContact CB-CD2 4.12Å; L510-L527 HydrophobicContact CB-CD1 4.34Å; L510-L527 HydrophobicContact CD2-CD1 4.41Å; L510-L527 HydrophobicContact CD2-CD2 4.28Å; V513-L527 HydrophobicContact CB-CD1 4.11Å; V513-L527 HydrophobicContact CG1-CD1 3.91Å; V513-L527 HydrophobicContact CG1-CD2 4.26Å; T514-L527 HydrophobicContact CG2-CD1 3.58Å; M522-L527 HydrophobicContact CB-CD2 4.11Å; M522-L527 HydrophobicContact CB-CG 4.22Å; M522-L527 HydrophobicContact CE-CD2 3.76Å; M522-L527 HydrophobicContact CE-CG 4.28Å; N523-L527 PolarHBondContact O-N 3.34Å; N523-L527 VanDerWaalsContact O-N 3.11Å; V524-L527 PolarHBondContact O-N 3.14Å; L527-C529 VanDerWaalsContact C-N 3.31Å; L527-C529 PolarHBondContact O-N 2.92Å; L527-I530 PolarHBondContact O-N 2.83Å; L527-F531 PolarHBondContact O-N 3.34Å; L527-I564 HydrophobicContact CB-CD1 4.4Å
528	A	95.8	Very high	94.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-43.5	176.4	0	0	0	0	0	111.7	V524 Q525 I530 F531 C532 F557 I560 A561	V524-A528 VanDerWaalsContact O-CB 3.26Å; V524-A528 WeakPolarHBondContact O-CB 3.38Å; V524-A528 PolarHBondContact O-N 3.46Å; Q525-A528 PolarHBondContact O-N 2.67Å; A528-I530 VanDerWaalsContact C-N 3.27Å; A528-I530 PolarHBondContact O-N 2.72Å; A528-F531 PolarHBondContact O-N 3.12Å; A528-C532 WeakPolarHBondContact O-CB 3.37Å; A528-C532 PolarHBondContact O-N 3.29Å; A528-F557 HydrophobicContact CB-CD2 3.95Å; A528-F557 HydrophobicContact CB-CE2 3.67Å; A528-F557 HydrophobicContact CB-CZ 4.23Å; A528-I560 HydrophobicContact CB-CB 4.39Å; A528-I560 HydrophobicContact CB-CG2 3.63Å; A528-A561 HydrophobicContact CB-CB 4.2Å
529	C	93.4	Very high	93.4	Very high	81 Å²	81	47.2 Å²	47.2	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-40.5	178.8	-173.8	0	0	0	0	111.8	Q525 N526 L527 P533 F557	Q525-C529 WeakPolarHBondContact O-CB 3.46Å; Q525-C529 PolarHBondContact O-N 3.23Å; N526-C529 PolarHBondContact O-N 2.76Å; L527-C529 VanDerWaalsContact C-N 3.31Å; L527-C529 PolarHBondContact O-N 2.92Å; C529-P533 VanDerWaalsContact O-CD 3.25Å; C529-P533 WeakPolarHBondContact O-CD 3.27Å; C529-F557 HydrophobicContact CB-CD2 4.5Å; C529-F557 HydrophobicContact CB-CE2 3.87Å
530	I	93.9	Very high	92.7	Very high	34 Å²	34	46.9 Å²	46.9	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-73.2	-47.3	-177.6	-66.5	159.9	0	0	0	111.7	R395 M522 N526 L527 A528 T534	R395-I530 HydrophobicContact CB-CD1 3.7Å; R395-I530 HydrophobicContact CG-CD1 4.29Å; M522-I530 HydrophobicContact CE-CD1 3.39Å; N526-I530 WeakPolarHBondContact O-CD1 3.5Å; N526-I530 WeakPolarHBondContact O-CG1 3.09Å; N526-I530 PolarHBondContact O-N 2.8Å; L527-I530 PolarHBondContact O-N 2.83Å; A528-I530 VanDerWaalsContact C-N 3.27Å; A528-I530 PolarHBondContact O-N 2.72Å; I530-T534 PolarHBondContact O-OG1 2.69Å
531	F	95.8	Very high	91.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-84.6	-26.6	-172.2	-82.2	-83.4	0	0	0	113.5	H394 R452 L506 L510 L527 A528 T534 L535	H394-F531 HydrophobicContact CB-CE2 3.85Å; H394-F531 HydrophobicContact CB-CZ 4.38Å; H394-F531 AromaticContact CE1-CZ 3.98Å; H394-F531 AromaticContact CG-CE2 3.73Å; H394-F531 AromaticContact CG-CZ 3.96Å; H394-F531 AromaticContact ND1-CE2 3.85Å; H394-F531 AromaticContact ND1-CZ 3.55Å; R452-F531 HydrophobicContact CG-CE1 4.18Å; R452-F531 HydrophobicContact CG-CZ 4.26Å; L506-F531 HydrophobicContact CD1-CE1 3.96Å; L506-F531 HydrophobicContact CD1-CZ 4.32Å; L506-F531 HydrophobicContact CD2-CD1 4.26Å; L506-F531 HydrophobicContact CD2-CE1 4.41Å; L510-F531 HydrophobicContact CD1-CD2 3.93Å; L510-F531 HydrophobicContact CD1-CE2 4.33Å; L510-F531 HydrophobicContact CD1-CG 4.15Å; L510-F531 HydrophobicContact CD2-CD2 3.81Å; L510-F531 HydrophobicContact CD2-CE2 3.42Å; L510-F531 VanDerWaalsContact CD2-CE2 3.42Å; L510-F531 HydrophobicContact CD2-CZ 3.98Å; L510-F531 HydrophobicContact CG-CE2 4.49Å; L527-F531 PolarHBondContact O-N 3.34Å; A528-F531 PolarHBondContact O-N 3.12Å; F531-T534 WeakPolarHBondContact O-CA 3.14Å; F531-T534 WeakPolarHBondContact O-CB 3.41Å; F531-T534 PolarHBondContact O-N 3.31Å; F531-L535 HydrophobicContact CB-CD1 3.97Å; F531-L535 HydrophobicContact CB-CG 4.23Å; F531-L535 HydrophobicContact CD1-CD1 4.29Å; F531-L535 HydrophobicContact CD1-CD2 4.44Å; F531-L535 HydrophobicContact CD1-CG 4.3Å; F531-L535 WeakPolarHBondContact O-CG 3.41Å; F531-L535 PolarHBondContact O-N 3.02Å
532	C	93.4	Very high	90.8	Very high	13 Å²	13	55.2 Å²	55.2	9%	0.088	30%	0.298	C	S	.	.	H	α-helix	trans	-51.4	-54.1	-179.1	-176.9	0	0	0	0	114.2	A528 T534 L535 F536 I556	A528-C532 WeakPolarHBondContact O-CB 3.37Å; A528-C532 PolarHBondContact O-N 3.29Å; C532-T534 PolarHBondContact O-N 3.29Å; C532-T534 VanDerWaalsContact O-N 3.17Å; C532-L535 PolarHBondContact O-N 3.16Å; C532-F536 WeakPolarHBondContact O-CD2 3.3Å; C532-F536 PolarHBondContact O-N 3.27Å; C532-I556 WeakPolarHBondContact SG-CG2 3.42Å
533	P	90.4	Very high	89.8	Confident	97 Å²	97	58.4 Å²	58.4	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-69.1	-15.6	179.2	28.7	-36.3	0	0	0	113.6	C529	C529-P533 VanDerWaalsContact O-CD 3.25Å; C529-P533 WeakPolarHBondContact O-CD 3.27Å
534	T	92.7	Very high	89	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.16	32%	0.324	C	S	.	.	H	α-helix	trans	-89.1	-34.1	-178.7	-55.5	0	0	0	0	111.8	R452 F455 A456 I530 F531 C532	R452-T534 WeakPolarHBondContact O-CG2 3.42Å; F455-T534 HydrophobicContact CB-CG2 3.54Å; A456-T534 HydrophobicContact CB-CG2 4.31Å; I530-T534 PolarHBondContact O-OG1 2.69Å; F531-T534 WeakPolarHBondContact O-CA 3.14Å; F531-T534 WeakPolarHBondContact O-CB 3.41Å; F531-T534 PolarHBondContact O-N 3.31Å; C532-T534 PolarHBondContact O-N 3.29Å; C532-T534 VanDerWaalsContact O-N 3.17Å
535	L	96.8	Very high	88.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-94.8	-20.3	-173.2	-61.8	-176.2	0	0	0	113.9	F455 P461 L462 V463 L506 F531 C532 I560	F455-L535 HydrophobicContact CB-CD2 4.25Å; F455-L535 HydrophobicContact CD1-CD2 4.18Å; F455-L535 HydrophobicContact CD2-CD2 4.19Å; F455-L535 HydrophobicContact CG-CD2 3.96Å; P461-L535 WeakPolarHBondContact CB-O 3.37Å; L462-L535 HydrophobicContact CB-CD2 4.13Å; L462-L535 HydrophobicContact CD2-CD2 3.75Å; V463-L535 PolarHBondContact N-O 2.9Å; L506-L535 HydrophobicContact CD2-CD1 3.6Å; L506-L535 HydrophobicContact CD2-CD2 3.66Å; L506-L535 HydrophobicContact CD2-CG 4.23Å; F531-L535 HydrophobicContact CB-CD1 3.97Å; F531-L535 HydrophobicContact CB-CG 4.23Å; F531-L535 HydrophobicContact CD1-CD1 4.29Å; F531-L535 HydrophobicContact CD1-CD2 4.44Å; F531-L535 HydrophobicContact CD1-CG 4.3Å; F531-L535 WeakPolarHBondContact O-CG 3.41Å; F531-L535 PolarHBondContact O-N 3.02Å; C532-L535 PolarHBondContact O-N 3.16Å; L535-I560 HydrophobicContact CD1-CD1 3.99Å
536	F	94.6	Very high	87.7	Confident	13 Å²	13	61.2 Å²	61.2	6%	0.057	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-124.6	145	-176.5	-56.5	-89.7	0	0	0	110.5	V463 T468 L471 C532 I556 I560	V463-F536 HydrophobicContact CB-CD1 3.76Å; V463-F536 HydrophobicContact CB-CE1 3.63Å; V463-F536 HydrophobicContact CB-CZ 4.39Å; V463-F536 HydrophobicContact CG1-CD1 4.02Å; V463-F536 HydrophobicContact CG1-CE1 3.73Å; V463-F536 HydrophobicContact CG2-CD1 4.21Å; V463-F536 HydrophobicContact CG2-CE1 3.65Å; V463-F536 HydrophobicContact CG2-CZ 3.93Å; T468-F536 HydrophobicContact CG2-CB 4.46Å; T468-F536 HydrophobicContact CG2-CD1 3.98Å; L471-F536 HydrophobicContact CD1-CE1 4.13Å; C532-F536 WeakPolarHBondContact O-CD2 3.3Å; C532-F536 PolarHBondContact O-N 3.27Å; F536-I556 HydrophobicContact CB-CD1 4.41Å; F536-I556 HydrophobicContact CB-CG1 3.96Å; F536-I556 HydrophobicContact CD1-CD1 3.46Å; F536-I556 VanDerWaalsContact CD1-CD1 3.46Å; F536-I556 HydrophobicContact CD1-CG1 3.86Å; F536-I556 HydrophobicContact CD2-CD1 4.21Å; F536-I556 HydrophobicContact CD2-CG1 3.77Å; F536-I556 HydrophobicContact CE1-CD1 3.62Å; F536-I556 HydrophobicContact CE1-CG1 4.27Å; F536-I556 HydrophobicContact CE2-CD1 4.43Å; F536-I556 HydrophobicContact CE2-CG1 4.28Å; F536-I556 HydrophobicContact CG-CD1 3.75Å; F536-I556 HydrophobicContact CG-CG1 3.56Å; F536-I556 HydrophobicContact CZ-CD1 4.13Å; F536-I556 HydrophobicContact CZ-CG1 4.48Å; F536-I560 HydrophobicContact CD2-CG1 4.3Å; F536-I560 HydrophobicContact CE2-CD1 3.58Å; F536-I560 HydrophobicContact CE2-CG1 3.23Å; F536-I560 HydrophobicContact CZ-CD1 3.79Å; F536-I560 HydrophobicContact CZ-CG1 3.69Å
537	R	87.6	Confident	87.1	Confident	127 Å²	127	65.3 Å²	65.3	48%	0.479	36%	0.364	S	S	.	.			trans	-119.5	110.7	168.9	-166.7	178	-67.1	157	2.2	107.6	E459 P461	E459-R537 PolarHBondContact O-NH1 3.31Å; E459-R537 PolarHBondContact O-NH2 2.94Å; P461-R537 HydrophobicContact CB-CB 4.29Å; P461-R537 HydrophobicContact CG-CB 3.79Å
538	L	84.2	Confident	86.4	Confident	39 Å²	39	68 Å²	68	20%	0.204	38%	0.38	C	S	.	.			trans	-79.6	122.5	176.2	-63.8	177.2	0	0	0	108.6	T468 L472 Y540 I556	T468-L538 HydrophobicContact CG2-CD2 3.92Å; L472-L538 HydrophobicContact CD1-CD2 3.74Å; L538-Y540 HydrophobicContact CB-CE1 3.89Å; L538-Y540 HydrophobicContact CB-CE2 4.06Å; L538-Y540 WeakPolarHBondContact CB-OH 3.29Å; L538-Y540 HydrophobicContact CD1-CE1 4.35Å; L538-Y540 WeakPolarHBondContact CD1-OH 3.34Å; L538-I556 HydrophobicContact CD1-CG2 4.04Å
539	S	77.3	Confident	85.8	Confident	101 Å²	101	71.6 Å²	71.6	71%	0.706	39%	0.393	S	S	*	.			trans	-94.6	123.9	170.6	-170.2	0	0	0	0	108
540	Y	78.4	Confident	85.5	Confident	77 Å²	77	74.7 Å²	74.7	30%	0.302	40%	0.398	S	S	.	.			trans	-108.8	145.7	176	-52.7	-64.6	0	0	0	108.9	L538 D544 R549	L538-Y540 HydrophobicContact CB-CE1 3.89Å; L538-Y540 HydrophobicContact CB-CE2 4.06Å; L538-Y540 WeakPolarHBondContact CB-OH 3.29Å; L538-Y540 HydrophobicContact CD1-CE1 4.35Å; L538-Y540 WeakPolarHBondContact CD1-OH 3.34Å; Y540-D544 WeakPolarHBondContact CA-OD2 3.45Å; Y540-R549 HydrophobicContact CD1-CB 4.26Å; Y540-R549 HydrophobicContact CD1-CG 3.66Å; Y540-R549 HydrophobicContact CD2-CG 4.22Å; Y540-R549 HydrophobicContact CE1-CB 3.86Å; Y540-R549 HydrophobicContact CE1-CG 3.79Å; Y540-R549 HydrophobicContact CE2-CG 4.33Å; Y540-R549 HydrophobicContact CG-CG 3.87Å
541	N	77.2	Confident	85.2	Confident	115 Å²	115	77.7 Å²	77.7	62%	0.615	41%	0.411	S	S	*	.			trans	-81.5	154.3	169.6	-62.7	-35.8	0	0	0	109.4	G543 D544	N541-G543 PolarHBondContact O-N 3.5Å; N541-D544 PolarHBondContact N-OD2 2.76Å; N541-D544 WeakPolarHBondContact O-CB 3.44Å; N541-D544 PolarHBondContact O-N 2.7Å
542	D	75.3	Confident	84.8	Confident	175 Å²	175	78.8 Å²	78.8	94%	0.936	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.3	179.6	-74.8	-26.2	0	0	0	113.3
543	G	77.4	Confident	84.6	Confident	69 Å²	69	80.6 Å²	80.6	71%	0.711	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-4.2	176	0	0	0	0	0	116.1	N541 T545	N541-G543 PolarHBondContact O-N 3.5Å; G543-T545 PolarHBondContact O-N 2.62Å
544	D	78.7	Confident	84.6	Confident	44 Å²	44	79.5 Å²	79.5	24%	0.235	42%	0.423	C	S	.	.			trans	-70.3	121.6	-178.4	-72.1	-18.6	0	0	0	110.4	Y540 N541 V548 R549	Y540-D544 WeakPolarHBondContact CA-OD2 3.45Å; N541-D544 PolarHBondContact N-OD2 2.76Å; N541-D544 WeakPolarHBondContact O-CB 3.44Å; N541-D544 PolarHBondContact O-N 2.7Å; D544-V548 HydrophobicContact CB-CG1 4.42Å; D544-R549 HydrophobicContact CB-CG 4.43Å; D544-R549 PolarHBondContact O-NE 2.92Å; D544-R549 PolarHBondContact O-NH2 2.78Å
545	T	83.3	Confident	84.5	Confident	73 Å²	73	80.2 Å²	80.2	45%	0.448	42%	0.424	S	S	.	.			trans	-66.1	154.6	177.5	64	0	0	0	0	110.9	G543 Q547 V548 R549	G543-T545 PolarHBondContact O-N 2.62Å; T545-Q547 PolarHBondContact O-N 3.29Å; T545-Q547 VanDerWaalsContact O-N 3.07Å; T545-V548 PolarHBondContact O-N 2.72Å; T545-V548 WeakPolarHBondContact OG1-CG2 3.43Å; T545-V548 PolarHBondContact OG1-N 2.99Å; T545-R549 WeakPolarHBondContact O-CG 3.38Å; T545-R549 PolarHBondContact O-N 3.02Å; T545-R549 VanDerWaalsContact O-N 3.1Å
546	E	82.5	Confident	84.2	Confident	133 Å²	133	80.3 Å²	80.3	62%	0.621	43%	0.425	S	S	*	.	H	α-helix	trans	-52.9	-31.2	173.6	-71.3	-60.7	134.2	0	0	112.5	R549 F550	E546-R549 PolarHBondContact O-N 3.03Å; E546-R549 IonicContact OE1-CZ 3.32Å; E546-R549 IonicContact OE1-NE 3.49Å; E546-R549 IonicContact OE1-NH1 3.1Å; E546-R549 PolarHBondContact OE1-NH1 2.88Å; E546-F550 WeakPolarHBondContact O-CB 3.3Å; E546-F550 PolarHBondContact O-N 2.85Å
547	Q	83	Confident	84.1	Confident	155 Å²	155	82.7 Å²	82.7	72%	0.724	44%	0.435	S	S	*	.	H	α-helix	trans	-64.6	-45.7	175.4	-67.2	165.4	-4.8	0	0	112.1	T545 R549 F550 E551	T545-Q547 PolarHBondContact O-N 3.29Å; T545-Q547 VanDerWaalsContact O-N 3.07Å; Q547-R549 VanDerWaalsContact C-N 3.35Å; Q547-F550 PolarHBondContact O-N 3.48Å; Q547-E551 WeakPolarHBondContact O-CB 3.28Å; Q547-E551 PolarHBondContact O-N 3.16Å
548	V	83	Confident	84.4	Confident	56 Å²	56	81.1 Å²	81.1	34%	0.339	43%	0.431	S	S	.	.	H	α-helix	trans	-66.2	-37.5	177.8	173	0	0	0	0	111.4	D544 T545 S552	D544-V548 HydrophobicContact CB-CG1 4.42Å; T545-V548 PolarHBondContact O-N 2.72Å; T545-V548 WeakPolarHBondContact OG1-CG2 3.43Å; T545-V548 PolarHBondContact OG1-N 2.99Å; V548-S552 WeakPolarHBondContact O-CB 3.29Å; V548-S552 PolarHBondContact O-N 3.05Å; V548-S552 PolarHBondContact O-OG 3.33Å
549	R	83.8	Confident	84.9	Confident	75 Å²	75	79.2 Å²	79.2	28%	0.283	42%	0.422	S	S	.	.	H	α-helix	trans	-64.2	-45.2	175	-60.7	178	-172.5	-177.4	-8	112	Y540 D544 T545 E546 Q547 S552 S553	Y540-R549 HydrophobicContact CD1-CB 4.26Å; Y540-R549 HydrophobicContact CD1-CG 3.66Å; Y540-R549 HydrophobicContact CD2-CG 4.22Å; Y540-R549 HydrophobicContact CE1-CB 3.86Å; Y540-R549 HydrophobicContact CE1-CG 3.79Å; Y540-R549 HydrophobicContact CE2-CG 4.33Å; Y540-R549 HydrophobicContact CG-CG 3.87Å; D544-R549 HydrophobicContact CB-CG 4.43Å; D544-R549 PolarHBondContact O-NE 2.92Å; D544-R549 PolarHBondContact O-NH2 2.78Å; T545-R549 WeakPolarHBondContact O-CG 3.38Å; T545-R549 PolarHBondContact O-N 3.02Å; T545-R549 VanDerWaalsContact O-N 3.1Å; E546-R549 PolarHBondContact O-N 3.03Å; E546-R549 IonicContact OE1-CZ 3.32Å; E546-R549 IonicContact OE1-NE 3.49Å; E546-R549 IonicContact OE1-NH1 3.1Å; E546-R549 PolarHBondContact OE1-NH1 2.88Å; Q547-R549 VanDerWaalsContact C-N 3.35Å; R549-S552 PolarHBondContact O-N 3.12Å; R549-S553 PolarHBondContact O-N 2.94Å; R549-S553 PolarHBondContact O-OG 2.95Å
550	F	86.9	Confident	85.8	Confident	147 Å²	147	74.4 Å²	74.4	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-64	-46.7	176.3	-179.7	-99.5	0	0	0	111.5	E546 Q547 S552 S553 V554	E546-F550 WeakPolarHBondContact O-CB 3.3Å; E546-F550 PolarHBondContact O-N 2.85Å; Q547-F550 PolarHBondContact O-N 3.48Å; F550-S552 VanDerWaalsContact C-N 3.31Å; F550-S552 PolarHBondContact O-N 3.27Å; F550-S553 WeakPolarHBondContact O-CB 3.34Å; F550-S553 PolarHBondContact O-N 2.94Å; F550-S553 VanDerWaalsContact O-N 3.14Å; F550-V554 HydrophobicContact CD1-CG2 4.18Å; F550-V554 HydrophobicContact CE1-CG2 3.74Å; F550-V554 HydrophobicContact CE2-CG2 4.32Å; F550-V554 HydrophobicContact CZ-CG2 3.82Å; F550-V554 WeakPolarHBondContact O-CG2 3.43Å; F550-V554 PolarHBondContact O-N 3.29Å
551	E	87.4	Confident	86.7	Confident	96 Å²	96	71 Å²	71	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-59.3	-42.3	177.5	-169.7	-172.2	169	0	0	111.5	Q547 S553 V554 K555	Q547-E551 WeakPolarHBondContact O-CB 3.28Å; Q547-E551 PolarHBondContact O-N 3.16Å; E551-S553 VanDerWaalsContact C-N 3.33Å; E551-S553 PolarHBondContact O-N 2.89Å; E551-V554 PolarHBondContact O-N 2.89Å; E551-K555 VanDerWaalsContact CD-NZ 3.34Å; E551-K555 HydrophobicContact CG-CD 4.32Å; E551-K555 WeakPolarHBondContact O-CB 3.4Å; E551-K555 VanDerWaalsContact O-CG 3.3Å; E551-K555 WeakPolarHBondContact O-CG 3.49Å; E551-K555 PolarHBondContact O-N 2.86Å; E551-K555 WeakPolarHBondContact OE1-CE 3.4Å; E551-K555 IonicContact OE1-NZ 2.77Å; E551-K555 PolarHBondContact OE1-NZ 3Å
552	S	87.2	Confident	87.5	Confident	24 Å²	24	66.1 Å²	66.1	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-38.6	177.2	-59.1	0	0	0	0	112	V548 R549 F550 K555 I556	V548-S552 WeakPolarHBondContact O-CB 3.29Å; V548-S552 PolarHBondContact O-N 3.05Å; V548-S552 PolarHBondContact O-OG 3.33Å; R549-S552 PolarHBondContact O-N 3.12Å; F550-S552 VanDerWaalsContact C-N 3.31Å; F550-S552 PolarHBondContact O-N 3.27Å; S552-K555 PolarHBondContact O-N 3.5Å; S552-I556 WeakPolarHBondContact O-CG2 3.45Å; S552-I556 PolarHBondContact O-N 2.83Å
553	S	88.6	Confident	88.6	Confident	50 Å²	50	57.8 Å²	57.8	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.8	-61.2	0	0	0	0	112.1	R549 F550 E551 I556 F557	R549-S553 PolarHBondContact O-N 2.94Å; R549-S553 PolarHBondContact O-OG 2.95Å; F550-S553 WeakPolarHBondContact O-CB 3.34Å; F550-S553 PolarHBondContact O-N 2.94Å; F550-S553 VanDerWaalsContact O-N 3.14Å; E551-S553 VanDerWaalsContact C-N 3.33Å; E551-S553 PolarHBondContact O-N 2.89Å; S553-I556 WeakPolarHBondContact O-CG2 3.43Å; S553-I556 PolarHBondContact O-N 3.21Å; S553-F557 WeakPolarHBondContact O-CB 3.47Å; S553-F557 PolarHBondContact O-N 2.73Å; S553-F557 VanDerWaalsContact O-N 3.1Å
554	V	90	Very high	89.6	Confident	74 Å²	74	54.5 Å²	54.5	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-41.1	175.7	174.8	0	0	0	0	111.2	F550 E551 F557 K558	F550-V554 HydrophobicContact CD1-CG2 4.18Å; F550-V554 HydrophobicContact CE1-CG2 3.74Å; F550-V554 HydrophobicContact CE2-CG2 4.32Å; F550-V554 HydrophobicContact CZ-CG2 3.82Å; F550-V554 WeakPolarHBondContact O-CG2 3.43Å; F550-V554 PolarHBondContact O-N 3.29Å; E551-V554 PolarHBondContact O-N 2.89Å; V554-F557 WeakPolarHBondContact O-CB 3.46Å; V554-F557 PolarHBondContact O-N 2.79Å; V554-K558 PolarHBondContact O-N 2.92Å
555	K	90.8	Very high	90.4	Very high	41 Å²	41	56.1 Å²	56.1	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-44.8	176.9	-75.6	170.8	-177.5	174.9	0	112	L472 A475 S476 E551 S552 F557 K558 V559	L472-K555 HydrophobicContact CD2-CB 3.59Å; A475-K555 HydrophobicContact CB-CB 4.16Å; A475-K555 HydrophobicContact CB-CG 4.39Å; S476-K555 WeakPolarHBondContact OG-CD 3.01Å; S476-K555 WeakPolarHBondContact OG-CE 3.07Å; S476-K555 PolarHBondContact OG-NZ 3.23Å; E551-K555 VanDerWaalsContact CD-NZ 3.34Å; E551-K555 HydrophobicContact CG-CD 4.32Å; E551-K555 WeakPolarHBondContact O-CB 3.4Å; E551-K555 VanDerWaalsContact O-CG 3.3Å; E551-K555 WeakPolarHBondContact O-CG 3.49Å; E551-K555 PolarHBondContact O-N 2.86Å; E551-K555 WeakPolarHBondContact OE1-CE 3.4Å; E551-K555 IonicContact OE1-NZ 2.77Å; E551-K555 PolarHBondContact OE1-NZ 3Å; S552-K555 PolarHBondContact O-N 3.5Å; K555-F557 VanDerWaalsContact C-N 3.3Å; K555-F557 PolarHBondContact O-N 2.94Å; K555-K558 WeakPolarHBondContact O-CB 3.19Å; K555-K558 PolarHBondContact O-N 2.54Å; K555-V559 WeakPolarHBondContact O-CG2 3.42Å; K555-V559 PolarHBondContact O-N 3.36Å
556	I	91.9	Very high	91	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-32.7	-179.4	-163.1	65.8	0	0	0	112.4	T468 L472 C532 F536 L538 S552 S553 K558 V559 I560	T468-I556 HydrophobicContact CG2-CD1 4.05Å; L472-I556 HydrophobicContact CD2-CB 4.01Å; L472-I556 HydrophobicContact CD2-CD1 4.21Å; L472-I556 HydrophobicContact CG-CD1 4.49Å; C532-I556 WeakPolarHBondContact SG-CG2 3.42Å; F536-I556 HydrophobicContact CB-CD1 4.41Å; F536-I556 HydrophobicContact CB-CG1 3.96Å; F536-I556 HydrophobicContact CD1-CD1 3.46Å; F536-I556 VanDerWaalsContact CD1-CD1 3.46Å; F536-I556 HydrophobicContact CD1-CG1 3.86Å; F536-I556 HydrophobicContact CD2-CD1 4.21Å; F536-I556 HydrophobicContact CD2-CG1 3.77Å; F536-I556 HydrophobicContact CE1-CD1 3.62Å; F536-I556 HydrophobicContact CE1-CG1 4.27Å; F536-I556 HydrophobicContact CE2-CD1 4.43Å; F536-I556 HydrophobicContact CE2-CG1 4.28Å; F536-I556 HydrophobicContact CG-CD1 3.75Å; F536-I556 HydrophobicContact CG-CG1 3.56Å; F536-I556 HydrophobicContact CZ-CD1 4.13Å; F536-I556 HydrophobicContact CZ-CG1 4.48Å; L538-I556 HydrophobicContact CD1-CG2 4.04Å; S552-I556 WeakPolarHBondContact O-CG2 3.45Å; S552-I556 PolarHBondContact O-N 2.83Å; S553-I556 WeakPolarHBondContact O-CG2 3.43Å; S553-I556 PolarHBondContact O-N 3.21Å; I556-K558 VanDerWaalsContact C-N 3.35Å; I556-V559 HydrophobicContact CD1-CB 4.24Å; I556-V559 HydrophobicContact CD1-CG1 4.47Å; I556-V559 HydrophobicContact CD1-CG2 4.42Å; I556-V559 WeakPolarHBondContact O-CB 3.01Å; I556-V559 PolarHBondContact O-N 2.77Å; I556-I560 PolarHBondContact O-N 3.03Å; I556-I560 VanDerWaalsContact O-N 3.16Å
557	F	92.8	Very high	91.6	Very high	62 Å²	62	50.3 Å²	50.3	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-46.2	170.9	173.6	-94.8	0	0	0	111	Q525 A528 C529 S553 V554 K555 V559 I560 A561	Q525-F557 HydrophobicContact CB-CZ 4.1Å; Q525-F557 WeakPolarHBondContact O-CE2 3.24Å; A528-F557 HydrophobicContact CB-CD2 3.95Å; A528-F557 HydrophobicContact CB-CE2 3.67Å; A528-F557 HydrophobicContact CB-CZ 4.23Å; C529-F557 HydrophobicContact CB-CD2 4.5Å; C529-F557 HydrophobicContact CB-CE2 3.87Å; S553-F557 WeakPolarHBondContact O-CB 3.47Å; S553-F557 PolarHBondContact O-N 2.73Å; S553-F557 VanDerWaalsContact O-N 3.1Å; V554-F557 WeakPolarHBondContact O-CB 3.46Å; V554-F557 PolarHBondContact O-N 2.79Å; K555-F557 VanDerWaalsContact C-N 3.3Å; K555-F557 PolarHBondContact O-N 2.94Å; F557-V559 VanDerWaalsContact C-N 3.35Å; F557-V559 PolarHBondContact O-N 2.72Å; F557-I560 PolarHBondContact O-N 2.95Å; F557-A561 PolarHBondContact O-N 3.47Å; F557-A561 VanDerWaalsContact O-N 3.08Å
558	K	92.8	Very high	92	Very high	94 Å²	94	46.7 Å²	46.7	41%	0.409	23%	0.23	S	C	.	.	H	α-helix	trans	-59	-43.7	173.3	172.4	169.6	172.7	47.6	0	112.1	V554 K555 I556 I560 A561 D562	V554-K558 PolarHBondContact O-N 2.92Å; K555-K558 WeakPolarHBondContact O-CB 3.19Å; K555-K558 PolarHBondContact O-N 2.54Å; I556-K558 VanDerWaalsContact C-N 3.35Å; K558-I560 PolarHBondContact O-N 3.13Å; K558-A561 PolarHBondContact O-N 2.88Å; K558-D562 WeakPolarHBondContact CE-OD2 3.09Å; K558-D562 WeakPolarHBondContact CG-OD2 2.97Å; K558-D562 VanDerWaalsContact NZ-CG 3.32Å; K558-D562 IonicContact NZ-OD1 3.55Å; K558-D562 PolarHBondContact NZ-OD1 3.2Å; K558-D562 IonicContact NZ-OD2 3.84Å; K558-D562 PolarHBondContact NZ-OD2 3.18Å; K558-D562 WeakPolarHBondContact O-CB 3.36Å; K558-D562 VanDerWaalsContact O-CG 3.24Å; K558-D562 PolarHBondContact O-N 2.77Å
559	V	95	Very high	92.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-50.2	178.7	170	0	0	0	0	110.8	L471 A475 Y488 K555 I556 F557 D562 L563	L471-V559 HydrophobicContact CB-CG1 4.08Å; L471-V559 HydrophobicContact CB-CG2 4.22Å; L471-V559 HydrophobicContact CD1-CG1 4.06Å; L471-V559 HydrophobicContact CD2-CG1 4.28Å; L471-V559 HydrophobicContact CG-CG1 4.37Å; A475-V559 HydrophobicContact CB-CG2 3.86Å; Y488-V559 HydrophobicContact CE1-CG2 4.1Å; K555-V559 WeakPolarHBondContact O-CG2 3.42Å; K555-V559 PolarHBondContact O-N 3.36Å; I556-V559 HydrophobicContact CD1-CB 4.24Å; I556-V559 HydrophobicContact CD1-CG1 4.47Å; I556-V559 HydrophobicContact CD1-CG2 4.42Å; I556-V559 WeakPolarHBondContact O-CB 3.01Å; I556-V559 PolarHBondContact O-N 2.77Å; F557-V559 VanDerWaalsContact C-N 3.35Å; F557-V559 PolarHBondContact O-N 2.72Å; V559-D562 PolarHBondContact O-N 2.98Å; V559-L563 HydrophobicContact CG1-CD1 4.15Å; V559-L563 HydrophobicContact CG1-CG 4.37Å; V559-L563 VanDerWaalsContact O-CG 3.28Å; V559-L563 WeakPolarHBondContact O-CG 3.32Å; V559-L563 PolarHBondContact O-N 3Å
560	I	96	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-41.3	178.9	-84.4	-70	0	0	0	112.5	A528 L535 F536 I556 F557 K558 D562 L563 I564	A528-I560 HydrophobicContact CB-CB 4.39Å; A528-I560 HydrophobicContact CB-CG2 3.63Å; L535-I560 HydrophobicContact CD1-CD1 3.99Å; F536-I560 HydrophobicContact CD2-CG1 4.3Å; F536-I560 HydrophobicContact CE2-CD1 3.58Å; F536-I560 HydrophobicContact CE2-CG1 3.23Å; F536-I560 HydrophobicContact CZ-CD1 3.79Å; F536-I560 HydrophobicContact CZ-CG1 3.69Å; I556-I560 PolarHBondContact O-N 3.03Å; I556-I560 VanDerWaalsContact O-N 3.16Å; F557-I560 PolarHBondContact O-N 2.95Å; K558-I560 PolarHBondContact O-N 3.13Å; I560-D562 VanDerWaalsContact C-N 3.28Å; I560-D562 PolarHBondContact O-N 3.47Å; I560-L563 HydrophobicContact CD1-CD1 4.09Å; I560-L563 PolarHBondContact O-N 2.99Å; I560-I564 HydrophobicContact CG2-CD1 3.78Å; I560-I564 HydrophobicContact CG2-CG1 4.44Å; I560-I564 WeakPolarHBondContact O-CG1 3.47Å; I560-I564 PolarHBondContact O-N 3.49Å
561	A	96.4	Very high	93.4	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-43.3	176.9	0	0	0	0	0	111.2	V524 A528 F557 K558 I564 L565	V524-A561 HydrophobicContact CG1-CB 3.84Å; V524-A561 WeakPolarHBondContact CG1-O 3.4Å; A528-A561 HydrophobicContact CB-CB 4.2Å; F557-A561 PolarHBondContact O-N 3.47Å; F557-A561 VanDerWaalsContact O-N 3.08Å; K558-A561 PolarHBondContact O-N 2.88Å; A561-I564 PolarHBondContact O-N 3.19Å; A561-L565 VanDerWaalsContact O-CB 3.29Å; A561-L565 WeakPolarHBondContact O-CB 3.26Å; A561-L565 PolarHBondContact O-N 3.34Å
562	D	95.7	Very high	93.6	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-42.7	176.2	-69.9	-17.6	0	0	0	111.5	M485 Y488 K558 V559 I560 I564 L565 Y566	M485-D562 HydrophobicContact CE-CB 3.94Å; M485-D562 HydrophobicContact SD-CB 4.37Å; Y488-D562 HydrophobicContact CD2-CB 4.34Å; Y488-D562 HydrophobicContact CE2-CB 3.73Å; Y488-D562 PolarHBondContact OH-OD2 3Å; K558-D562 WeakPolarHBondContact CE-OD2 3.09Å; K558-D562 WeakPolarHBondContact CG-OD2 2.97Å; K558-D562 VanDerWaalsContact NZ-CG 3.32Å; K558-D562 IonicContact NZ-OD1 3.55Å; K558-D562 PolarHBondContact NZ-OD1 3.2Å; K558-D562 IonicContact NZ-OD2 3.84Å; K558-D562 PolarHBondContact NZ-OD2 3.18Å; K558-D562 WeakPolarHBondContact O-CB 3.36Å; K558-D562 VanDerWaalsContact O-CG 3.24Å; K558-D562 PolarHBondContact O-N 2.77Å; V559-D562 PolarHBondContact O-N 2.98Å; I560-D562 VanDerWaalsContact C-N 3.28Å; I560-D562 PolarHBondContact O-N 3.47Å; D562-I564 VanDerWaalsContact C-N 3.31Å; D562-I564 PolarHBondContact O-N 3.46Å; D562-L565 PolarHBondContact O-N 2.85Å; D562-Y566 HydrophobicContact CB-CD2 4.27Å; D562-Y566 WeakPolarHBondContact O-CB 3.36Å; D562-Y566 WeakPolarHBondContact O-CD2 3.3Å; D562-Y566 PolarHBondContact O-N 2.76Å
563	L	97.4	Very high	93.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-39.8	176.5	-71.9	179.8	0	0	0	112.1	V507 V559 I560 Y567 V570 F571	V507-L563 HydrophobicContact CG1-CB 4.34Å; V507-L563 WeakPolarHBondContact CG1-O 3.38Å; V559-L563 HydrophobicContact CG1-CD1 4.15Å; V559-L563 HydrophobicContact CG1-CG 4.37Å; V559-L563 VanDerWaalsContact O-CG 3.28Å; V559-L563 WeakPolarHBondContact O-CG 3.32Å; V559-L563 PolarHBondContact O-N 3Å; I560-L563 HydrophobicContact CD1-CD1 4.09Å; I560-L563 PolarHBondContact O-N 2.99Å; L563-Y567 VanDerWaalsContact O-CA 3.27Å; L563-Y567 WeakPolarHBondContact O-CA 3.48Å; L563-Y567 PolarHBondContact O-N 3.17Å; L563-V570 HydrophobicContact CD2-CB 4.37Å; L563-V570 HydrophobicContact CD2-CG1 3.57Å; L563-F571 HydrophobicContact CD2-CE2 4.49Å
564	I	97.7	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.5	-47.8	175.8	-63.4	165.8	0	0	0	110	V507 L510 K511 T514 V524 L527 I560 A561 D562 Y566	V507-I564 HydrophobicContact CG1-CG1 4.22Å; L510-I564 HydrophobicContact CB-CD1 4.04Å; L510-I564 HydrophobicContact CB-CG1 4.07Å; L510-I564 HydrophobicContact CD1-CD1 3.91Å; L510-I564 HydrophobicContact CD1-CG1 4.3Å; K511-I564 HydrophobicContact CB-CG2 4.39Å; K511-I564 WeakPolarHBondContact CD-O 3.19Å; T514-I564 HydrophobicContact CG2-CG2 4.23Å; V524-I564 HydrophobicContact CG1-CB 4.2Å; V524-I564 HydrophobicContact CG1-CG2 4.27Å; V524-I564 HydrophobicContact CG2-CG2 4.13Å; L527-I564 HydrophobicContact CB-CD1 4.4Å; I560-I564 HydrophobicContact CG2-CD1 3.78Å; I560-I564 HydrophobicContact CG2-CG1 4.44Å; I560-I564 WeakPolarHBondContact O-CG1 3.47Å; I560-I564 PolarHBondContact O-N 3.49Å; A561-I564 PolarHBondContact O-N 3.19Å; D562-I564 VanDerWaalsContact C-N 3.31Å; D562-I564 PolarHBondContact O-N 3.46Å; I564-Y566 PolarHBondContact O-N 3.3Å
565	L	96.1	Very high	93.7	Very high	78 Å²	78	39.4 Å²	39.4	41%	0.408	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-45.6	-174.3	-175.4	59.6	0	0	0	111.8	K511 A561 D562	K511-L565 PolarHBondContact NZ-O 3.47Å; A561-L565 VanDerWaalsContact O-CB 3.29Å; A561-L565 WeakPolarHBondContact O-CB 3.26Å; A561-L565 PolarHBondContact O-N 3.34Å; D562-L565 PolarHBondContact O-N 2.85Å
566	Y	95.6	Very high	93.5	Very high	81 Å²	81	44 Å²	44	32%	0.318	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	28.1	-175.7	-54.2	-69.6	0	0	0	113.1	T481 M485 D562 I564 D568 H569 V570	T481-Y566 HydrophobicContact CG2-CD2 4.38Å; T481-Y566 HydrophobicContact CG2-CE1 4.02Å; T481-Y566 HydrophobicContact CG2-CE2 3.64Å; T481-Y566 VanDerWaalsContact CG2-CZ 3.44Å; T481-Y566 WeakPolarHBondContact CG2-OH 3.26Å; M485-Y566 HydrophobicContact CE-CD2 3.58Å; M485-Y566 HydrophobicContact CE-CE2 3.86Å; M485-Y566 HydrophobicContact CE-CG 4.42Å; M485-Y566 HydrophobicContact CG-CD2 4.1Å; M485-Y566 HydrophobicContact CG-CG 4.01Å; M485-Y566 HydrophobicContact SD-CD2 3.37Å; M485-Y566 WeakPolarHBondContact SD-CD2 3.39Å; M485-Y566 HydrophobicContact SD-CE2 4.24Å; M485-Y566 HydrophobicContact SD-CG 3.73Å; D562-Y566 HydrophobicContact CB-CD2 4.27Å; D562-Y566 WeakPolarHBondContact O-CB 3.36Å; D562-Y566 WeakPolarHBondContact O-CD2 3.3Å; D562-Y566 PolarHBondContact O-N 2.76Å; I564-Y566 PolarHBondContact O-N 3.3Å; Y566-D568 VanDerWaalsContact C-N 3.25Å; Y566-D568 PolarHBondContact O-N 3.27Å; Y566-D568 VanDerWaalsContact O-N 3.17Å; Y566-H569 PolarHBondContact O-N 3.01Å; Y566-H569 VanDerWaalsContact O-N 3.09Å; Y566-V570 WeakPolarHBondContact O-CG2 3.31Å; Y566-V570 PolarHBondContact O-N 3.49Å
567	Y	95.3	Very high	93.3	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-44.3	-48.7	179.9	168.4	-104.5	0	0	0	113.1	R504 V507 K508 L563 H569 V570 F571 I573	R504-Y567 HydrophobicContact CG-CE2 4.15Å; V507-Y567 HydrophobicContact CB-CD2 4.19Å; V507-Y567 HydrophobicContact CG1-CD2 3.74Å; V507-Y567 HydrophobicContact CG1-CG 4.43Å; K508-Y567 HydrophobicContact CB-CE1 4.16Å; K508-Y567 HydrophobicContact CB-CE2 3.72Å; K508-Y567 WeakPolarHBondContact CB-OH 3.46Å; K508-Y567 HydrophobicContact CG-CE1 4.11Å; L563-Y567 VanDerWaalsContact O-CA 3.27Å; L563-Y567 WeakPolarHBondContact O-CA 3.48Å; L563-Y567 PolarHBondContact O-N 3.17Å; Y567-H569 VanDerWaalsContact C-N 3.31Å; Y567-H569 PolarHBondContact O-N 2.92Å; Y567-V570 PolarHBondContact O-N 2.82Å; Y567-F571 HydrophobicContact CD2-CB 4.39Å; Y567-F571 AromaticContact CD2-CD2 3.44Å; Y567-F571 HydrophobicContact CD2-CD2 3.44Å; Y567-F571 VanDerWaalsContact CD2-CD2 3.44Å; Y567-F571 AromaticContact CD2-CE2 3.97Å; Y567-F571 HydrophobicContact CD2-CE2 3.97Å; Y567-F571 HydrophobicContact CD2-CG 4.13Å; Y567-F571 HydrophobicContact CE2-CB 4.14Å; Y567-F571 AromaticContact CE2-CD2 3.79Å; Y567-F571 HydrophobicContact CE2-CD2 3.79Å; Y567-F571 HydrophobicContact CE2-CE2 4.42Å; Y567-F571 HydrophobicContact CE2-CG 4.03Å; Y567-F571 HydrophobicContact CG-CD2 4.39Å; Y567-F571 PolarHBondContact O-N 3.42Å; Y567-I573 HydrophobicContact CD1-CD1 4.46Å; Y567-I573 HydrophobicContact CD1-CG1 4.04Å; Y567-I573 HydrophobicContact CE1-CD1 3.6Å; Y567-I573 HydrophobicContact CE1-CG1 3.54Å; Y567-I573 HydrophobicContact CE2-CD1 4.19Å; Y567-I573 VanDerWaalsContact CZ-CD1 3.41Å; Y567-I573 WeakPolarHBondContact OH-CD1 3.46Å
568	D	92.6	Very high	93	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-41.5	-175.9	-58.2	-44.7	0	0	0	112.8	Y566 D572 I573	Y566-D568 VanDerWaalsContact C-N 3.25Å; Y566-D568 PolarHBondContact O-N 3.27Å; Y566-D568 VanDerWaalsContact O-N 3.17Å; D568-D572 PolarHBondContact O-N 2.88Å; D568-I573 HydrophobicContact CB-CB 4.47Å; D568-I573 HydrophobicContact CB-CG1 4.44Å; D568-I573 PolarHBondContact O-N 2.77Å
569	H	91.4	Very high	92.7	Very high	80 Å²	80	46.7 Å²	46.7	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-78.5	-39.9	-179.9	-173.8	-53	0	0	0	112.1	E486 Y566 Y567	E486-H569 IonicContact OE1-CE1 3.58Å; E486-H569 PolarHBondContact OE1-CE1 2.83Å; Y566-H569 PolarHBondContact O-N 3.01Å; Y566-H569 VanDerWaalsContact O-N 3.09Å; Y567-H569 VanDerWaalsContact C-N 3.31Å; Y567-H569 PolarHBondContact O-N 2.92Å
570	V	94.7	Very high	92.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-75.7	-31.6	-173.5	176.5	0	0	0	0	112.1	M485 K489 I492 L563 Y566 Y567	M485-V570 HydrophobicContact CB-CG2 4.02Å; M485-V570 HydrophobicContact CG-CG2 4.23Å; M485-V570 HydrophobicContact SD-CG2 3.75Å; K489-V570 HydrophobicContact CB-CG1 4.42Å; I492-V570 HydrophobicContact CD1-CG1 3.54Å; I492-V570 HydrophobicContact CG1-CG1 4.37Å; L563-V570 HydrophobicContact CD2-CB 4.37Å; L563-V570 HydrophobicContact CD2-CG1 3.57Å; Y566-V570 WeakPolarHBondContact O-CG2 3.31Å; Y566-V570 PolarHBondContact O-N 3.49Å; Y567-V570 PolarHBondContact O-N 2.82Å
571	F	95.7	Very high	91.8	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.018	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.7	-178.1	-70.5	-85.5	0	0	0	114.6	I492 Y500 L503 R504 V507 L563 Y567 I573	I492-F571 HydrophobicContact CD1-CD1 3.78Å; I492-F571 HydrophobicContact CD1-CD2 4.5Å; I492-F571 HydrophobicContact CD1-CE1 3.46Å; I492-F571 VanDerWaalsContact CD1-CE1 3.46Å; I492-F571 HydrophobicContact CD1-CE2 4.22Å; I492-F571 HydrophobicContact CD1-CG 4.31Å; I492-F571 HydrophobicContact CD1-CZ 3.7Å; Y500-F571 AromaticContact CE2-CD1 3.99Å; Y500-F571 HydrophobicContact CE2-CD1 3.99Å; Y500-F571 HydrophobicContact CE2-CE1 4.18Å; Y500-F571 AromaticContact CZ-CD1 3.91Å; L503-F571 HydrophobicContact CD2-CZ 4.28Å; L503-F571 HydrophobicContact CG-CE1 4.49Å; L503-F571 HydrophobicContact CG-CZ 4.11Å; R504-F571 VanDerWaalsContact CA-CE1 3.47Å; R504-F571 HydrophobicContact CB-CD1 3.54Å; R504-F571 HydrophobicContact CB-CE1 3.6Å; R504-F571 HydrophobicContact CB-CG 4.39Å; R504-F571 HydrophobicContact CG-CB 4.17Å; R504-F571 HydrophobicContact CG-CD1 3.54Å; R504-F571 HydrophobicContact CG-CE1 4.1Å; R504-F571 HydrophobicContact CG-CG 3.97Å; V507-F571 HydrophobicContact CB-CE2 4.06Å; V507-F571 HydrophobicContact CB-CZ 4.33Å; V507-F571 HydrophobicContact CG1-CE2 3.98Å; V507-F571 HydrophobicContact CG2-CE2 4.26Å; V507-F571 HydrophobicContact CG2-CZ 4.21Å; L563-F571 HydrophobicContact CD2-CE2 4.49Å; Y567-F571 HydrophobicContact CD2-CB 4.39Å; Y567-F571 AromaticContact CD2-CD2 3.44Å; Y567-F571 HydrophobicContact CD2-CD2 3.44Å; Y567-F571 VanDerWaalsContact CD2-CD2 3.44Å; Y567-F571 AromaticContact CD2-CE2 3.97Å; Y567-F571 HydrophobicContact CD2-CE2 3.97Å; Y567-F571 HydrophobicContact CD2-CG 4.13Å; Y567-F571 HydrophobicContact CE2-CB 4.14Å; Y567-F571 AromaticContact CE2-CD2 3.79Å; Y567-F571 HydrophobicContact CE2-CD2 3.79Å; Y567-F571 HydrophobicContact CE2-CE2 4.42Å; Y567-F571 HydrophobicContact CE2-CG 4.03Å; Y567-F571 HydrophobicContact CG-CD2 4.39Å; Y567-F571 PolarHBondContact O-N 3.42Å; F571-I573 HydrophobicContact CB-CD1 3.88Å; F571-I573 HydrophobicContact CB-CG1 4.44Å; F571-I573 PolarHBondContact O-N 2.91Å
572	D	92.1	Very high	91.2	Very high	83 Å²	83	61 Å²	61	44%	0.444	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	56.7	-179.6	-68.4	-37.2	0	0	0	112.8	K489 D568 S574	K489-D572 WeakPolarHBondContact CE-OD1 3.23Å; K489-D572 WeakPolarHBondContact CE-OD2 3.48Å; K489-D572 IonicContact NZ-OD1 2.59Å; K489-D572 PolarHBondContact NZ-OD1 3.34Å; K489-D572 IonicContact NZ-OD2 2.64Å; K489-D572 PolarHBondContact NZ-OD2 3.27Å; D568-D572 PolarHBondContact O-N 2.88Å; D572-S574 PolarHBondContact O-N 2.88Å
573	I	91.3	Very high	90.8	Very high	22 Å²	22	64 Å²	64	11%	0.113	31%	0.311	C	S	.	.			trans	-70.9	121.6	-179.7	-52.4	-55.8	0	0	0	109.2	Y567 D568 F571 E577 S578	Y567-I573 HydrophobicContact CD1-CD1 4.46Å; Y567-I573 HydrophobicContact CD1-CG1 4.04Å; Y567-I573 HydrophobicContact CE1-CD1 3.6Å; Y567-I573 HydrophobicContact CE1-CG1 3.54Å; Y567-I573 HydrophobicContact CE2-CD1 4.19Å; Y567-I573 VanDerWaalsContact CZ-CD1 3.41Å; Y567-I573 WeakPolarHBondContact OH-CD1 3.46Å; D568-I573 HydrophobicContact CB-CB 4.47Å; D568-I573 HydrophobicContact CB-CG1 4.44Å; D568-I573 PolarHBondContact O-N 2.77Å; F571-I573 HydrophobicContact CB-CD1 3.88Å; F571-I573 HydrophobicContact CB-CG1 4.44Å; F571-I573 PolarHBondContact O-N 2.91Å; I573-E577 HydrophobicContact CG2-CB 3.97Å; I573-E577 HydrophobicContact CG2-CG 4.08Å; I573-S578 WeakPolarHBondContact CG2-OG 2.91Å
574	S	89.9	Confident	90.1	Very high	54 Å²	54	68.1 Å²	68.1	38%	0.378	34%	0.336	S	S	.	.			trans	-71.3	151.8	-180	73.8	0	0	0	0	111	D572 E576 E577 S578	D572-S574 PolarHBondContact O-N 2.88Å; S574-E576 PolarHBondContact O-N 3.47Å; S574-E577 PolarHBondContact O-N 3.43Å; S574-E577 PolarHBondContact OG-N 3.29Å; S574-E577 VanDerWaalsContact OG-N 3.15Å; S574-S578 PolarHBondContact O-N 2.88Å; S574-S578 PolarHBondContact O-OG 2.77Å
575	T	86.5	Confident	89.3	Confident	124 Å²	124	70.5 Å²	70.5	76%	0.761	35%	0.347	S	S	*	.	H	α-helix	trans	-56.5	-34.4	175.1	51.4	0	0	0	0	112.2	Y579	T575-Y579 VanDerWaalsContact O-CB 3.3Å; T575-Y579 WeakPolarHBondContact O-CB 3.17Å; T575-Y579 PolarHBondContact O-N 3.05Å
576	E	87.1	Confident	88.6	Confident	139 Å²	139	71.9 Å²	71.9	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-38.5	174.8	-65.1	-174.2	171.2	0	0	112.9	S574 Y579 R580	S574-E576 PolarHBondContact O-N 3.47Å; E576-Y579 PolarHBondContact O-N 3.36Å; E576-R580 WeakPolarHBondContact O-CB 3.47Å; E576-R580 WeakPolarHBondContact O-CG 3.22Å; E576-R580 PolarHBondContact O-N 3.34Å; E576-R580 PolarHBondContact O-NE 3.17Å
577	E	87.8	Confident	88	Confident	27 Å²	27	70.4 Å²	70.4	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-48.2	175.7	-173.1	168.8	173.3	0	0	111.2	R504 I573 S574 Y579 R580 E581	R504-E577 IonicContact CZ-OE1 3.48Å; R504-E577 IonicContact CZ-OE2 3.97Å; R504-E577 IonicContact NH1-OE1 2.63Å; R504-E577 PolarHBondContact NH1-OE1 3Å; R504-E577 IonicContact NH1-OE2 3.11Å; R504-E577 IonicContact NH2-OE1 2.67Å; R504-E577 PolarHBondContact NH2-OE1 3.31Å; R504-E577 IonicContact NH2-OE2 3.9Å; R504-E577 PolarHBondContact NH2-OE2 2.82Å; I573-E577 HydrophobicContact CG2-CB 3.97Å; I573-E577 HydrophobicContact CG2-CG 4.08Å; S574-E577 PolarHBondContact O-N 3.43Å; S574-E577 PolarHBondContact OG-N 3.29Å; S574-E577 VanDerWaalsContact OG-N 3.15Å; E577-Y579 VanDerWaalsContact C-N 3.27Å; E577-Y579 PolarHBondContact O-N 2.96Å; E577-R580 VanDerWaalsContact CA-NH2 3.33Å; E577-R580 PolarHBondContact O-N 3.46Å; E577-R580 VanDerWaalsContact O-N 3.17Å; E577-E581 WeakPolarHBondContact O-CG 3.08Å; E577-E581 PolarHBondContact O-N 3.34Å
578	S	85.6	Confident	87.2	Confident	47 Å²	47	73.6 Å²	73.6	33%	0.329	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-39.2	174.8	-55	0	0	0	0	112	I573 S574 E581 F582	I573-S578 WeakPolarHBondContact CG2-OG 2.91Å; S574-S578 PolarHBondContact O-N 2.88Å; S574-S578 PolarHBondContact O-OG 2.77Å; S578-E581 PolarHBondContact O-N 3.1Å; S578-F582 WeakPolarHBondContact O-CB 3.28Å; S578-F582 PolarHBondContact O-N 2.77Å
579	Y	86.4	Confident	86.4	Confident	141 Å²	141	73.5 Å²	73.5	55%	0.553	38%	0.376	S	S	*	.	H	α-helix	trans	-65.6	-45.4	175.6	-179.3	-102.4	0	0	0	112.1	T575 E576 E577 E581 F582 Q583	T575-Y579 VanDerWaalsContact O-CB 3.3Å; T575-Y579 WeakPolarHBondContact O-CB 3.17Å; T575-Y579 PolarHBondContact O-N 3.05Å; E576-Y579 PolarHBondContact O-N 3.36Å; E577-Y579 VanDerWaalsContact C-N 3.27Å; E577-Y579 PolarHBondContact O-N 2.96Å; Y579-E581 VanDerWaalsContact C-N 3.3Å; Y579-E581 PolarHBondContact O-N 3.44Å; Y579-F582 PolarHBondContact O-N 3.05Å; Y579-Q583 HydrophobicContact CD1-CG 4.21Å; Y579-Q583 HydrophobicContact CE1-CG 3.81Å; Y579-Q583 HydrophobicContact CE2-CG 4.2Å; Y579-Q583 VanDerWaalsContact O-CG 3.24Å; Y579-Q583 WeakPolarHBondContact O-CG 3.4Å; Y579-Q583 PolarHBondContact O-N 2.91Å; Y579-Q583 PolarHBondContact OH-NE2 2.99Å
580	R	87.4	Confident	85.9	Confident	139 Å²	139	75.8 Å²	75.8	53%	0.525	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-44.1	175.6	-79.2	-177.5	-74.7	108.7	-6.5	111.2	E576 E577 Q583 V584	E576-R580 WeakPolarHBondContact O-CB 3.47Å; E576-R580 WeakPolarHBondContact O-CG 3.22Å; E576-R580 PolarHBondContact O-N 3.34Å; E576-R580 PolarHBondContact O-NE 3.17Å; E577-R580 VanDerWaalsContact CA-NH2 3.33Å; E577-R580 PolarHBondContact O-N 3.46Å; E577-R580 VanDerWaalsContact O-N 3.17Å; R580-Q583 PolarHBondContact O-N 3.03Å; R580-V584 WeakPolarHBondContact O-CG2 3.46Å; R580-V584 PolarHBondContact O-N 3.14Å
581	E	84.3	Confident	85	Confident	37 Å²	37	81.3 Å²	81.3	17%	0.173	41%	0.414	C	S	.	.	H	α-helix	trans	-62.7	-45	177.2	-71.6	172.3	-177.3	0	0	112.2	K508 E577 S578 Y579 Q583 V584 H585	K508-E581 WeakPolarHBondContact CE-OE1 3.49Å; K508-E581 IonicContact NZ-OE1 3.03Å; K508-E581 PolarHBondContact NZ-OE1 2.71Å; E577-E581 WeakPolarHBondContact O-CG 3.08Å; E577-E581 PolarHBondContact O-N 3.34Å; S578-E581 PolarHBondContact O-N 3.1Å; Y579-E581 VanDerWaalsContact C-N 3.3Å; Y579-E581 PolarHBondContact O-N 3.44Å; E581-Q583 VanDerWaalsContact C-N 3.29Å; E581-Q583 PolarHBondContact O-N 2.87Å; E581-V584 PolarHBondContact O-N 3.25Å; E581-H585 PolarHBondContact O-N 3.39Å
582	F	84.1	Confident	83.9	Confident	128 Å²	128	85.2 Å²	85.2	56%	0.561	44%	0.435	S	S	*	.	H	α-helix	trans	-57.8	-42.5	175.3	176.9	-99.4	0	0	0	111.9	S578 Y579 H585 K586	S578-F582 WeakPolarHBondContact O-CB 3.28Å; S578-F582 PolarHBondContact O-N 2.77Å; Y579-F582 PolarHBondContact O-N 3.05Å; F582-H585 PolarHBondContact O-N 3.11Å; F582-K586 HydrophobicContact CE1-CD 4.33Å; F582-K586 WeakPolarHBondContact O-CB 3.5Å; F582-K586 PolarHBondContact O-N 2.83Å
583	Q	87.4	Confident	83	Confident	77 Å²	77	85.2 Å²	85.2	36%	0.36	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-39.1	178.3	-66.4	-73.1	87.9	0	0	112	Y579 R580 E581 K586 A587	Y579-Q583 HydrophobicContact CD1-CG 4.21Å; Y579-Q583 HydrophobicContact CE1-CG 3.81Å; Y579-Q583 HydrophobicContact CE2-CG 4.2Å; Y579-Q583 VanDerWaalsContact O-CG 3.24Å; Y579-Q583 WeakPolarHBondContact O-CG 3.4Å; Y579-Q583 PolarHBondContact O-N 2.91Å; Y579-Q583 PolarHBondContact OH-NE2 2.99Å; R580-Q583 PolarHBondContact O-N 3.03Å; E581-Q583 VanDerWaalsContact C-N 3.29Å; E581-Q583 PolarHBondContact O-N 2.87Å; Q583-K586 PolarHBondContact O-N 2.77Å; Q583-A587 WeakPolarHBondContact O-CB 3.39Å; Q583-A587 PolarHBondContact O-N 3.35Å
584	V	83.3	Confident	81.6	Confident	87 Å²	87	86.5 Å²	86.5	53%	0.527	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-48.5	173.8	171.9	0	0	0	0	110.7	R580 E581 K586 A587 L588	R580-V584 WeakPolarHBondContact O-CG2 3.46Å; R580-V584 PolarHBondContact O-N 3.14Å; E581-V584 PolarHBondContact O-N 3.25Å; V584-K586 VanDerWaalsContact C-N 3.32Å; V584-K586 PolarHBondContact O-N 3.44Å; V584-A587 WeakPolarHBondContact O-CB 3.34Å; V584-A587 PolarHBondContact O-N 3.08Å; V584-A587 VanDerWaalsContact O-N 3.13Å; V584-L588 HydrophobicContact CG1-CD1 4.05Å; V584-L588 HydrophobicContact CG1-CG 4.45Å; V584-L588 WeakPolarHBondContact O-CG 3.46Å; V584-L588 PolarHBondContact O-N 3.43Å
585	H	80.1	Confident	80.3	Confident	50 Å²	50	88.3 Å²	88.3	23%	0.231	47%	0.474	C	S	.	.	H	α-helix	trans	-60	-41.6	176.9	-91.4	-71.6	0	0	0	112.5	E581 F582 A587 L588 S589	E581-H585 PolarHBondContact O-N 3.39Å; F582-H585 PolarHBondContact O-N 3.11Å; H585-A587 VanDerWaalsContact C-N 3.32Å; H585-A587 PolarHBondContact O-N 2.81Å; H585-L588 PolarHBondContact O-N 3.2Å; H585-S589 PolarHBondContact O-N 3.21Å
586	K	82.2	Confident	79	Confident	106 Å²	106	85.7 Å²	85.7	46%	0.461	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-38.8	175.5	-173.9	176	-177.3	176.2	0	111.9	F582 Q583 V584 K590	F582-K586 HydrophobicContact CE1-CD 4.33Å; F582-K586 WeakPolarHBondContact O-CB 3.5Å; F582-K586 PolarHBondContact O-N 2.83Å; Q583-K586 PolarHBondContact O-N 2.77Å; V584-K586 VanDerWaalsContact C-N 3.32Å; V584-K586 PolarHBondContact O-N 3.44Å; K586-K590 WeakPolarHBondContact O-CG 3.28Å; K586-K590 PolarHBondContact O-N 2.86Å
587	A	82.1	Confident	77.7	Confident	51 Å²	51	83.6 Å²	83.6	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-67.1	-44.7	175.4	0	0	0	0	0	111.8	Q583 V584 H585 S589 K590 L591	Q583-A587 WeakPolarHBondContact O-CB 3.39Å; Q583-A587 PolarHBondContact O-N 3.35Å; V584-A587 WeakPolarHBondContact O-CB 3.34Å; V584-A587 PolarHBondContact O-N 3.08Å; V584-A587 VanDerWaalsContact O-N 3.13Å; H585-A587 VanDerWaalsContact C-N 3.32Å; H585-A587 PolarHBondContact O-N 2.81Å; A587-S589 PolarHBondContact O-N 3.28Å; A587-K590 WeakPolarHBondContact O-CB 3.46Å; A587-K590 PolarHBondContact O-N 2.8Å; A587-K590 VanDerWaalsContact O-N 3.15Å; A587-L591 PolarHBondContact O-N 3.22Å; A587-L591 VanDerWaalsContact O-N 3.09Å
588	L	78.4	Confident	76.2	Confident	70 Å²	70	88 Å²	88	37%	0.366	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-44	176.5	-71.3	172	0	0	0	111.8	V584 H585 K590 L591 D592	V584-L588 HydrophobicContact CG1-CD1 4.05Å; V584-L588 HydrophobicContact CG1-CG 4.45Å; V584-L588 WeakPolarHBondContact O-CG 3.46Å; V584-L588 PolarHBondContact O-N 3.43Å; H585-L588 PolarHBondContact O-N 3.2Å; L588-K590 PolarHBondContact O-N 2.93Å; L588-L591 WeakPolarHBondContact O-CB 3.4Å; L588-L591 PolarHBondContact O-N 3.07Å; L588-L591 VanDerWaalsContact O-N 3.13Å; L588-D592 PolarHBondContact O-N 2.84Å
589	S	77.4	Confident	74.8	Confident	76 Å²	76	91.3 Å²	91.3	53%	0.531	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-33.3	176.3	-178.2	0	0	0	0	113	H585 A587 S593	H585-S589 PolarHBondContact O-N 3.21Å; A587-S589 PolarHBondContact O-N 3.28Å; S589-S593 PolarHBondContact O-N 3.14Å
590	K	80.7	Confident	73.3	Confident	129 Å²	129	94 Å²	94	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-70.7	-40	175.6	-73.4	177.2	177.5	-172.2	0	111.7	K586 A587 L588 S593 A594	K586-K590 WeakPolarHBondContact O-CG 3.28Å; K586-K590 PolarHBondContact O-N 2.86Å; A587-K590 WeakPolarHBondContact O-CB 3.46Å; A587-K590 PolarHBondContact O-N 2.8Å; A587-K590 VanDerWaalsContact O-N 3.15Å; L588-K590 PolarHBondContact O-N 2.93Å; K590-S593 WeakPolarHBondContact CA-OG 3.49Å; K590-S593 PolarHBondContact O-N 3.36Å; K590-S593 PolarHBondContact O-OG 3.41Å; K590-A594 WeakPolarHBondContact O-CB 3.5Å; K590-A594 PolarHBondContact O-N 3.07Å
591	L	74.7	Confident	71.6	Confident	117 Å²	117	95.3 Å²	95.3	61%	0.613	55%	0.548	S	S	*	.	H	α-helix	trans	-62.3	-44.7	176	-70.6	170.6	0	0	0	111.2	A587 L588 S593 A594 A595	A587-L591 PolarHBondContact O-N 3.22Å; A587-L591 VanDerWaalsContact O-N 3.09Å; L588-L591 WeakPolarHBondContact O-CB 3.4Å; L588-L591 PolarHBondContact O-N 3.07Å; L588-L591 VanDerWaalsContact O-N 3.13Å; L591-S593 VanDerWaalsContact C-N 3.29Å; L591-S593 PolarHBondContact O-N 3.09Å; L591-A594 PolarHBondContact O-N 3.26Å; L591-A594 VanDerWaalsContact O-N 3.12Å; L591-A595 PolarHBondContact O-N 2.91Å
592	D	73.1	Confident	70.2	Confident	86 Å²	86	97.1 Å²	97.1	46%	0.46	57%	0.565	S	S	.	*	H	α-helix	trans	-58.6	-41.1	175.3	-73.6	-13.4	0	0	0	111.8	R389 L588	R389-D592 IonicContact CZ-OD2 2.78Å; R389-D592 IonicContact NE-OD2 2.67Å; R389-D592 IonicContact NH2-OD2 3.86Å; R389-D592 PolarHBondContact NH2-OD2 2.88Å; L588-D592 PolarHBondContact O-N 2.84Å
593	S	73	Confident	69.2	Low	82 Å²	82	95.2 Å²	95.2	57%	0.573	57%	0.567	S	S	*	*	H	α-helix	trans	-70.5	-29.3	177.2	69.6	0	0	0	0	113.8	S589 K590 L591	S589-S593 PolarHBondContact O-N 3.14Å; K590-S593 WeakPolarHBondContact CA-OG 3.49Å; K590-S593 PolarHBondContact O-N 3.36Å; K590-S593 PolarHBondContact O-OG 3.41Å; L591-S593 VanDerWaalsContact C-N 3.29Å; L591-S593 PolarHBondContact O-N 3.09Å
594	A	62.9	Low	68.6	Low	50 Å²	50	93.2 Å²	93.2	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-80.7	-28.4	-178.9	0	0	0	0	0	112.8	K590 L591 G596 V597	K590-A594 WeakPolarHBondContact O-CB 3.5Å; K590-A594 PolarHBondContact O-N 3.07Å; L591-A594 PolarHBondContact O-N 3.26Å; L591-A594 VanDerWaalsContact O-N 3.12Å; A594-G596 PolarHBondContact O-N 3.44Å; A594-G596 VanDerWaalsContact O-N 3.08Å; A594-V597 PolarHBondContact O-N 3.48Å
595	A	61.3	Low	68.5	Low	92 Å²	92	92.1 Å²	92.1	76%	0.76	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	178.8	0	0	0	0	0	113.5	L591	L591-A595 PolarHBondContact O-N 2.91Å
596	G	60.3	Low	68.8	Low	69 Å²	69	95.6 Å²	95.6	71%	0.711	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-12.3	174	0	0	0	0	0	115.3	A594	A594-G596 PolarHBondContact O-N 3.44Å; A594-G596 VanDerWaalsContact O-N 3.08Å
597	V	59.5	Low	69.2	Low	94 Å²	94	92.5 Å²	92.5	57%	0.57	56%	0.562	S	S	*	*	S	Bend	trans	-95.5	117.6	-178.2	-175	0	0	0	0	108.7	A594 V599	A594-V597 PolarHBondContact O-N 3.48Å; V597-V599 PolarHBondContact O-N 2.89Å
598	P	56.4	Low	69.6	Low	120 Å²	120	92.3 Å²	92.3	78%	0.779	56%	0.557	S	S	*	*			trans	-60.4	105.5	171	22.7	-29.6	0	0	0	108.4	K600	P598-K600 PolarHBondContact O-N 3.01Å
599	V	55.7	Low	70.3	Confident	117 Å²	117	89 Å²	89	71%	0.709	54%	0.54	S	S	*	.			trans	-62.8	113.3	172.5	179.8	0	0	0	0	105.7	V597 L601	V597-V599 PolarHBondContact O-N 2.89Å; V599-L601 VanDerWaalsContact C-N 3.3Å; V599-L601 PolarHBondContact O-N 3.45Å
600	K	54.2	Low	71.1	Confident	198 Å²	198	86 Å²	86	86%	0.861	52%	0.518	S	S	*	.			trans	-54.8	103.6	163	-98.9	-177.9	174.8	178.4	0	105.6	P598 S602	P598-K600 PolarHBondContact O-N 3.01Å; K600-S602 VanDerWaalsContact C-N 3.29Å; K600-S602 PolarHBondContact O-N 3.43Å
601	L	53.6	Low	71.7	Confident	166 Å²	166	79.9 Å²	79.9	87%	0.869	49%	0.491	S	S	*	.			trans	-57.1	106.1	167.4	-94	98.3	0	0	0	105.1	V599 S603	V599-L601 VanDerWaalsContact C-N 3.3Å; V599-L601 PolarHBondContact O-N 3.45Å; L601-S603 PolarHBondContact O-N 3.39Å
602	S	54.6	Low	72.3	Confident	75 Å²	75	77.5 Å²	77.5	52%	0.524	48%	0.478	S	S	.	.			trans	-66.5	109.8	-178.8	87.1	0	0	0	0	105	K600 G604 K622	K600-S602 VanDerWaalsContact C-N 3.29Å; K600-S602 PolarHBondContact O-N 3.43Å; S602-G604 PolarHBondContact O-N 3.21Å; S602-K622 WeakPolarHBondContact OG-CE 3.42Å; S602-K622 PolarHBondContact OG-NZ 2.64Å
603	S	63.5	Low	73	Confident	87 Å²	87	77.9 Å²	77.9	61%	0.608	48%	0.477	S	S	*	.	S	Bend	trans	-54.9	117.9	-175.7	54.8	0	0	0	0	109.1	L601 K622	L601-S603 PolarHBondContact O-N 3.39Å; S603-K622 WeakPolarHBondContact O-CE 3.38Å
604	G	74	Confident	73.7	Confident	35 Å²	35	77.7 Å²	77.7	36%	0.361	47%	0.466	S	S	.	.	S	Bend	trans	127.3	158	178.9	0	0	0	0	0	114.3	S602 I623	S602-G604 PolarHBondContact O-N 3.21Å; G604-I623 CarbonylContact C-O 3.56Å; G604-I623 WeakPolarHBondContact CA-O 3.15Å
605	F	81.8	Confident	74.8	Confident	65 Å²	65	80.8 Å²	80.8	29%	0.285	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.8	179.5	55.2	-91.5	0	0	0	110.2	H607 I623 F670 I673	F605-H607 HydrophobicContact CD2-CB 4.42Å; F605-H607 HydrophobicContact CE2-CB 4.23Å; F605-I623 HydrophobicContact CD2-CB 4.39Å; F605-I623 HydrophobicContact CE1-CB 4.46Å; F605-I623 HydrophobicContact CE1-CG2 4.4Å; F605-I623 HydrophobicContact CE2-CB 3.95Å; F605-I623 HydrophobicContact CE2-CD1 3.89Å; F605-I623 HydrophobicContact CE2-CG1 4.28Å; F605-I623 HydrophobicContact CE2-CG2 4.37Å; F605-I623 HydrophobicContact CZ-CB 3.98Å; F605-I623 HydrophobicContact CZ-CD1 4.31Å; F605-I623 HydrophobicContact CZ-CG2 3.94Å; F605-I623 PolarHBondContact N-O 3.01Å; F605-I623 PolarHBondContact O-N 3.47Å; F605-F670 HydrophobicContact CD1-CE2 4.29Å; F605-F670 AromaticContact CE1-CD2 3.77Å; F605-F670 HydrophobicContact CE1-CD2 3.77Å; F605-F670 AromaticContact CE1-CE2 3.66Å; F605-F670 HydrophobicContact CE1-CE2 3.66Å; F605-F670 HydrophobicContact CZ-CD2 4.43Å; F605-I673 HydrophobicContact CE2-CB 4.27Å; F605-I673 HydrophobicContact CE2-CG1 4.39Å; F605-I673 HydrophobicContact CE2-CG2 3.66Å; F605-I673 HydrophobicContact CZ-CB 3.82Å; F605-I673 HydrophobicContact CZ-CG1 4.27Å; F605-I673 HydrophobicContact CZ-CG2 3.5Å; F605-I673 VanDerWaalsContact CZ-CG2 3.5Å
606	L	86.6	Confident	76	Confident	122 Å²	122	83.1 Å²	83.1	64%	0.639	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.1	174.5	-70.3	166.6	0	0	0	109.3	N620 I621 K622	L606-N620 HydrophobicContact CD2-CB 4.18Å; L606-I621 WeakPolarHBondContact CA-O 3.43Å; L606-K622 HydrophobicContact CD2-CB 4.23Å
607	H	88.9	Confident	77.2	Confident	42 Å²	42	83 Å²	83	19%	0.194	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.5	174.2	-161.4	77.7	0	0	0	109.6	F605 N620 I621 I623 W676	F605-H607 HydrophobicContact CD2-CB 4.42Å; F605-H607 HydrophobicContact CE2-CB 4.23Å; H607-N620 WeakPolarHBondContact O-CA 3.4Å; H607-I621 PolarHBondContact N-O 3.14Å; H607-I621 PolarHBondContact O-N 2.8Å; H607-I623 HydrophobicContact CB-CD1 3.26Å; H607-I623 HydrophobicContact CB-CG1 3.82Å; H607-W676 AromaticContact NE2-CZ3 3.72Å
608	C	90.8	Very high	78.7	Confident	46 Å²	46	81.3 Å²	81.3	31%	0.311	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.1	176.7	-170.8	0	0	0	0	109.1
609	L	94.3	Very high	80.2	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.9	172.5	-174.8	72.8	0	0	0	109.3	S618 F619 I621 V632 V636 L650 L689 V691	L609-S618 WeakPolarHBondContact O-CA 3.29Å; L609-S618 WeakPolarHBondContact O-CB 3.39Å; L609-F619 HydrophobicContact CB-CD2 4.21Å; L609-F619 HydrophobicContact CB-CE2 3.91Å; L609-F619 HydrophobicContact CD2-CD2 4.49Å; L609-F619 HydrophobicContact CD2-CE2 3.44Å; L609-F619 VanDerWaalsContact CD2-CE2 3.44Å; L609-F619 HydrophobicContact CD2-CZ 3.73Å; L609-F619 HydrophobicContact CG-CE2 4.19Å; L609-F619 PolarHBondContact N-O 3.2Å; L609-F619 PolarHBondContact O-N 3.27Å; L609-I621 HydrophobicContact CB-CG2 4.02Å; L609-V632 HydrophobicContact CD1-CG1 3.97Å; L609-V632 HydrophobicContact CD2-CG1 3.4Å; L609-V632 VanDerWaalsContact CD2-CG1 3.4Å; L609-V632 HydrophobicContact CG-CG1 4.35Å; L609-V636 HydrophobicContact CD2-CG2 3.77Å; L609-L650 HydrophobicContact CD1-CD1 3.84Å; L609-L689 HydrophobicContact CD1-CB 3.6Å; L609-V691 HydrophobicContact CD1-CG2 4.22Å; L609-V691 HydrophobicContact CD2-CG2 4.1Å; L609-V691 HydrophobicContact CG-CG2 4.48Å
610	H	94	Very high	81.7	Confident	13 Å²	13	76.7 Å²	76.7	6%	0.06	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	150.8	172.8	-57.6	-87.6	0	0	0	110.9	D615 I617 Y688 L689 I690 V691	H610-D615 IonicContact CE1-OD1 2.88Å; H610-D615 PolarHBondContact CE1-OD1 3.31Å; H610-D615 PolarHBondContact ND1-N 3.39Å; H610-D615 VanDerWaalsContact ND1-N 3.13Å; H610-D615 IonicContact ND1-OD1 2.72Å; H610-I617 CarbonylContact C-O 3.58Å; H610-I617 WeakPolarHBondContact CA-O 3.21Å; H610-Y688 AromaticContact CD2-CD2 3.8Å; H610-L689 PolarHBondContact N-O 3.17Å; H610-I690 HydrophobicContact CB-CB 4.14Å; H610-I690 HydrophobicContact CB-CD1 4.22Å; H610-I690 HydrophobicContact CB-CG1 3.91Å; H610-I690 CarbonylContact O-C 3.49Å; H610-I690 VanDerWaalsContact O-CA 3.29Å; H610-I690 WeakPolarHBondContact O-CA 3.38Å; H610-V691 PolarHBondContact O-N 3.3Å
611	V	91.8	Very high	83.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129	179.5	-176.1	0	0	0	0	109.6	E613 I617 F619 V636 I641 L644 V691	V611-E613 PolarHBondContact O-N 2.8Å; V611-I617 HydrophobicContact CB-CB 4.21Å; V611-I617 HydrophobicContact CB-CG2 4.15Å; V611-I617 PolarHBondContact N-O 3.1Å; V611-F619 HydrophobicContact CG2-CD1 4.49Å; V611-F619 HydrophobicContact CG2-CE1 3.59Å; V611-F619 HydrophobicContact CG2-CZ 3.86Å; V611-V636 HydrophobicContact CG1-CG1 3.75Å; V611-V636 HydrophobicContact CG2-CG1 4.03Å; V611-V636 HydrophobicContact CG2-CG2 4.05Å; V611-I641 HydrophobicContact CB-CD1 4.22Å; V611-I641 HydrophobicContact CG1-CD1 3.74Å; V611-I641 HydrophobicContact CG2-CD1 4.2Å; V611-L644 HydrophobicContact CG1-CD1 4.05Å; V611-V691 WeakPolarHBondContact CA-O 3.39Å
612	I	88.3	Confident	85	Confident	68 Å²	68	64 Å²	64	35%	0.349	35%	0.345	S	S	.	.	S	Bend	trans	65	-55.1	-176.8	-61.7	159.2	0	0	0	113	I641 L644 V691	I612-I641 HydrophobicContact CD1-CG2 4.46Å; I612-L644 HydrophobicContact CD1-CD1 4.22Å; I612-L644 HydrophobicContact CG1-CD1 4.48Å; I612-V691 PolarHBondContact N-O 2.98Å
613	E	88.6	Confident	86.5	Confident	94 Å²	94	60.4 Å²	60.4	44%	0.439	32%	0.32	S	S	.	.	S	Bend	trans	-139.2	144.8	-177.7	-161.4	173.6	161.2	0	0	110.7	V611 D615 K616	V611-E613 PolarHBondContact O-N 2.8Å; E613-D615 PolarHBondContact O-N 2.98Å; E613-K616 HydrophobicContact CB-CB 4.3Å; E613-K616 HydrophobicContact CB-CD 4.05Å; E613-K616 HydrophobicContact CB-CG 4.22Å; E613-K616 VanDerWaalsContact CD-CE 3.42Å; E613-K616 HydrophobicContact CG-CD 4.31Å; E613-K616 HydrophobicContact CG-CG 4.47Å; E613-K616 PolarHBondContact O-N 3.02Å; E613-K616 WeakPolarHBondContact OE1-CE 3.34Å; E613-K616 IonicContact OE1-NZ 3.43Å; E613-K616 PolarHBondContact OE1-NZ 3.39Å; E613-K616 VanDerWaalsContact OE2-CD 3.25Å; E613-K616 WeakPolarHBondContact OE2-CD 3.48Å; E613-K616 WeakPolarHBondContact OE2-CE 3.34Å; E613-K616 IonicContact OE2-NZ 3.61Å; E613-K616 PolarHBondContact OE2-NZ 3.03Å
614	K	87.3	Confident	87.6	Confident	77 Å²	77	56.5 Å²	56.5	34%	0.335	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	139	177.9	-167.7	-172.9	177.2	172.4	0	109.6	K616 Y688	K614-K616 PolarHBondContact O-N 3.15Å; K614-Y688 HydrophobicContact CB-CE2 4.31Å; K614-Y688 HydrophobicContact CD-CD1 4.25Å; K614-Y688 HydrophobicContact CD-CE1 3.74Å; K614-Y688 HydrophobicContact CD-CE2 4.33Å; K614-Y688 HydrophobicContact CG-CE1 4.43Å; K614-Y688 HydrophobicContact CG-CE2 4.19Å
615	D	84.8	Confident	88	Confident	116 Å²	116	59.5 Å²	59.5	62%	0.62	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	1.4	177	-54.2	-37.6	0	0	0	117.7	H610 E613	H610-D615 IonicContact CE1-OD1 2.88Å; H610-D615 PolarHBondContact CE1-OD1 3.31Å; H610-D615 PolarHBondContact ND1-N 3.39Å; H610-D615 VanDerWaalsContact ND1-N 3.13Å; H610-D615 IonicContact ND1-OD1 2.72Å; E613-D615 PolarHBondContact O-N 2.98Å
616	K	86.5	Confident	88.2	Confident	141 Å²	141	61.7 Å²	61.7	61%	0.613	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-59.3	173.5	-77.8	-163.8	-179.7	167.5	0	112.6	E613 K614	E613-K616 HydrophobicContact CB-CB 4.3Å; E613-K616 HydrophobicContact CB-CD 4.05Å; E613-K616 HydrophobicContact CB-CG 4.22Å; E613-K616 VanDerWaalsContact CD-CE 3.42Å; E613-K616 HydrophobicContact CG-CD 4.31Å; E613-K616 HydrophobicContact CG-CG 4.47Å; E613-K616 PolarHBondContact O-N 3.02Å; E613-K616 WeakPolarHBondContact OE1-CE 3.34Å; E613-K616 IonicContact OE1-NZ 3.43Å; E613-K616 PolarHBondContact OE1-NZ 3.39Å; E613-K616 VanDerWaalsContact OE2-CD 3.25Å; E613-K616 WeakPolarHBondContact OE2-CD 3.48Å; E613-K616 WeakPolarHBondContact OE2-CE 3.34Å; E613-K616 IonicContact OE2-NZ 3.61Å; E613-K616 PolarHBondContact OE2-NZ 3.03Å; K614-K616 PolarHBondContact O-N 3.15Å
617	I	87	Confident	88.3	Confident	65 Å²	65	56.9 Å²	56.9	33%	0.333	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.4	177.4	-56.7	177.4	0	0	0	106.5	H610 V611 I641	H610-I617 CarbonylContact C-O 3.58Å; H610-I617 WeakPolarHBondContact CA-O 3.21Å; V611-I617 HydrophobicContact CB-CB 4.21Å; V611-I617 HydrophobicContact CB-CG2 4.15Å; V611-I617 PolarHBondContact N-O 3.1Å; I617-I641 HydrophobicContact CD1-CG2 3.69Å; I617-I641 HydrophobicContact CG2-CD1 4.11Å
618	S	90.1	Very high	88.6	Confident	60 Å²	60	55.9 Å²	55.9	42%	0.42	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.6	177.3	62.1	0	0	0	0	111.5	L609	L609-S618 WeakPolarHBondContact O-CA 3.29Å; L609-S618 WeakPolarHBondContact O-CB 3.39Å
619	F	86.9	Confident	88.7	Confident	35 Å²	35	53.8 Å²	53.8	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.9	174	47.2	-106.9	0	0	0	110.5	L609 V611 I621 Y635 V636 R639 I641	L609-F619 HydrophobicContact CB-CD2 4.21Å; L609-F619 HydrophobicContact CB-CE2 3.91Å; L609-F619 HydrophobicContact CD2-CD2 4.49Å; L609-F619 HydrophobicContact CD2-CE2 3.44Å; L609-F619 VanDerWaalsContact CD2-CE2 3.44Å; L609-F619 HydrophobicContact CD2-CZ 3.73Å; L609-F619 HydrophobicContact CG-CE2 4.19Å; L609-F619 PolarHBondContact N-O 3.2Å; L609-F619 PolarHBondContact O-N 3.27Å; V611-F619 HydrophobicContact CG2-CD1 4.49Å; V611-F619 HydrophobicContact CG2-CE1 3.59Å; V611-F619 HydrophobicContact CG2-CZ 3.86Å; F619-I621 PolarHBondContact O-N 2.78Å; F619-Y635 HydrophobicContact CD2-CD1 4.36Å; F619-Y635 AromaticContact CD2-CE1 3.58Å; F619-Y635 HydrophobicContact CD2-CE1 3.58Å; F619-Y635 AromaticContact CE2-CD1 3.52Å; F619-Y635 HydrophobicContact CE2-CD1 3.52Å; F619-Y635 AromaticContact CE2-CE1 3.17Å; F619-Y635 HydrophobicContact CE2-CE1 3.17Å; F619-Y635 HydrophobicContact CG-CE1 4.45Å; F619-Y635 AromaticContact CZ-CD1 3.81Å; F619-Y635 HydrophobicContact CZ-CD1 3.81Å; F619-Y635 AromaticContact CZ-CE1 3.72Å; F619-Y635 HydrophobicContact CZ-CE1 3.72Å; F619-V636 HydrophobicContact CZ-CG2 3.75Å; F619-R639 HydrophobicContact CE1-CG 4.25Å; F619-I641 HydrophobicContact CE1-CD1 4.45Å
620	N	88.7	Confident	88.6	Confident	104 Å²	104	58.5 Å²	58.5	56%	0.556	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.5	174.2	-66.9	-41.1	0	0	0	109.6	L606 H607	L606-N620 HydrophobicContact CD2-CB 4.18Å; H607-N620 WeakPolarHBondContact O-CA 3.4Å
621	I	88.3	Confident	88.5	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.2	170.3	-168.8	165.5	0	0	0	109.2	L606 H607 L609 F619 I623 L627 V632 Y635	L606-I621 WeakPolarHBondContact CA-O 3.43Å; H607-I621 PolarHBondContact N-O 3.14Å; H607-I621 PolarHBondContact O-N 2.8Å; L609-I621 HydrophobicContact CB-CG2 4.02Å; F619-I621 PolarHBondContact O-N 2.78Å; I621-I623 HydrophobicContact CG2-CG1 4.19Å; I621-L627 HydrophobicContact CD1-CD2 4.06Å; I621-L627 HydrophobicContact CG1-CD2 4.29Å; I621-V632 HydrophobicContact CD1-CB 4.42Å; I621-V632 HydrophobicContact CD1-CG1 4.14Å; I621-V632 HydrophobicContact CD1-CG2 3.91Å; I621-Y635 HydrophobicContact CD1-CD1 3.97Å; I621-Y635 HydrophobicContact CD1-CE1 4.41Å; I621-Y635 HydrophobicContact CD1-CG 4.09Å
622	K	87.7	Confident	88.6	Confident	91 Å²	91	62.3 Å²	62.3	40%	0.396	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115	174	-177	-179.1	168.3	-169.2	0	109.2	S602 S603 L606 G624	S602-K622 WeakPolarHBondContact OG-CE 3.42Å; S602-K622 PolarHBondContact OG-NZ 2.64Å; S603-K622 WeakPolarHBondContact O-CE 3.38Å; L606-K622 HydrophobicContact CD2-CB 4.23Å; K622-G624 PolarHBondContact O-N 3.17Å
623	I	87.5	Confident	88.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	102.3	179.5	-56.9	-171.3	0	0	0	109.1	G604 F605 H607 I621 L627 V669 F670 I673 L689	G604-I623 CarbonylContact C-O 3.56Å; G604-I623 WeakPolarHBondContact CA-O 3.15Å; F605-I623 HydrophobicContact CD2-CB 4.39Å; F605-I623 HydrophobicContact CE1-CB 4.46Å; F605-I623 HydrophobicContact CE1-CG2 4.4Å; F605-I623 HydrophobicContact CE2-CB 3.95Å; F605-I623 HydrophobicContact CE2-CD1 3.89Å; F605-I623 HydrophobicContact CE2-CG1 4.28Å; F605-I623 HydrophobicContact CE2-CG2 4.37Å; F605-I623 HydrophobicContact CZ-CB 3.98Å; F605-I623 HydrophobicContact CZ-CD1 4.31Å; F605-I623 HydrophobicContact CZ-CG2 3.94Å; F605-I623 PolarHBondContact N-O 3.01Å; F605-I623 PolarHBondContact O-N 3.47Å; H607-I623 HydrophobicContact CB-CD1 3.26Å; H607-I623 HydrophobicContact CB-CG1 3.82Å; I621-I623 HydrophobicContact CG2-CG1 4.19Å; I623-L627 HydrophobicContact CB-CD2 4.31Å; I623-L627 HydrophobicContact CG1-CD2 4.08Å; I623-L627 HydrophobicContact CG2-CD2 4.37Å; I623-V669 HydrophobicContact CD1-CG1 3.97Å; I623-V669 HydrophobicContact CG2-CG1 4.46Å; I623-F670 HydrophobicContact CG2-CB 3.96Å; I623-F670 HydrophobicContact CG2-CD2 4.15Å; I623-I673 HydrophobicContact CD1-CD1 4.36Å; I623-I673 HydrophobicContact CD1-CG1 3.68Å; I623-L689 HydrophobicContact CD1-CD1 4.48Å
624	G	85.4	Confident	88.9	Confident	5 Å²	5	58.3 Å²	58.3	5%	0.052	30%	0.299	C	S	.	.			trans	-94.4	165	167.8	0	0	0	0	0	111.5	K622 D626 L627	K622-G624 PolarHBondContact O-N 3.17Å; G624-D626 PolarHBondContact O-N 3.13Å; G624-L627 WeakPolarHBondContact O-CB 3.47Å; G624-L627 PolarHBondContact O-N 3.18Å; G624-L627 VanDerWaalsContact O-N 3.1Å
625	V	83.6	Confident	88.9	Confident	97 Å²	97	57.8 Å²	57.8	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.3	178.7	-173.1	0	0	0	0	111.8	F670	V625-F670 HydrophobicContact CG2-CD1 4.44Å; V625-F670 HydrophobicContact CG2-CD2 4.41Å; V625-F670 HydrophobicContact CG2-CE1 4.38Å; V625-F670 HydrophobicContact CG2-CE2 4.35Å; V625-F670 HydrophobicContact CG2-CG 4.46Å; V625-F670 HydrophobicContact CG2-CZ 4.34Å
626	D	84.4	Confident	89.1	Confident	111 Å²	111	52.3 Å²	52.3	59%	0.594	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.9	-179.8	70.8	-59.6	0	0	0	113.9	G624 S628 K631	G624-D626 PolarHBondContact O-N 3.13Å; D626-S628 PolarHBondContact O-N 3.37Å; D626-K631 PolarHBondContact O-NZ 2.97Å; D626-K631 IonicContact OD2-NZ 3.11Å; D626-K631 PolarHBondContact OD2-NZ 2.81Å
627	L	90.1	Very high	89.2	Confident	22 Å²	22	50.3 Å²	50.3	12%	0.115	25%	0.254	C	S	.	.			trans	-82.4	103.3	-177.3	-172.5	69.7	0	0	0	110.5	I621 I623 G624 K631 V632 V669	I621-L627 HydrophobicContact CD1-CD2 4.06Å; I621-L627 HydrophobicContact CG1-CD2 4.29Å; I623-L627 HydrophobicContact CB-CD2 4.31Å; I623-L627 HydrophobicContact CG1-CD2 4.08Å; I623-L627 HydrophobicContact CG2-CD2 4.37Å; G624-L627 WeakPolarHBondContact O-CB 3.47Å; G624-L627 PolarHBondContact O-N 3.18Å; G624-L627 VanDerWaalsContact O-N 3.1Å; L627-K631 HydrophobicContact CD1-CB 3.91Å; L627-V632 HydrophobicContact CD1-CG2 3.98Å; L627-V632 HydrophobicContact CD2-CG2 3.77Å; L627-V632 HydrophobicContact CG-CG2 3.77Å; L627-V669 HydrophobicContact CD2-CB 4.44Å; L627-V669 WeakPolarHBondContact O-CB 3.13Å; L627-V669 PolarHBondContact O-N 3.45Å
628	S	93.9	Very high	89.2	Confident	20 Å²	20	52.1 Å²	52.1	14%	0.14	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-84.1	160.8	171.3	65.5	0	0	0	0	112	D626 E630 K631 V632 A665 E667	D626-S628 PolarHBondContact O-N 3.37Å; S628-E630 VanDerWaalsContact C-N 3.26Å; S628-E630 PolarHBondContact O-N 3.2Å; S628-K631 PolarHBondContact O-N 3.22Å; S628-K631 WeakPolarHBondContact OG-CG 3.24Å; S628-K631 PolarHBondContact OG-N 2.89Å; S628-V632 PolarHBondContact O-N 2.69Å; S628-A665 WeakPolarHBondContact CB-O 3.29Å; S628-E667 WeakPolarHBondContact CA-O 3.2Å
629	A	92.9	Very high	88.9	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-37.8	175.6	0	0	0	0	0	112.7	V632 C633 L650 V663 S664 A665 E667 V669	A629-V632 WeakPolarHBondContact O-CB 3.36Å; A629-V632 PolarHBondContact O-N 2.82Å; A629-V632 VanDerWaalsContact O-N 3.14Å; A629-C633 PolarHBondContact O-N 2.81Å; A629-L650 HydrophobicContact CB-CB 4Å; A629-L650 HydrophobicContact CB-CD2 3.75Å; A629-V663 HydrophobicContact CB-CB 4.23Å; A629-V663 HydrophobicContact CB-CG1 3.64Å; A629-S664 VanDerWaalsContact CB-O 3.32Å; A629-S664 WeakPolarHBondContact CB-O 3.35Å; A629-A665 PolarHBondContact N-O 3.04Å; A629-E667 PolarHBondContact N-O 3.27Å; A629-V669 HydrophobicContact CB-CG2 4.46Å
630	E	92.8	Very high	88.5	Confident	101 Å²	101	61.1 Å²	61.1	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-47.4	175.4	-173.4	177.4	-149.1	0	0	111.9	S628 V632 C633 D634 A665	S628-E630 VanDerWaalsContact C-N 3.26Å; S628-E630 PolarHBondContact O-N 3.2Å; E630-V632 PolarHBondContact O-N 2.96Å; E630-C633 CarbonylContact O-C 3.48Å; E630-C633 WeakPolarHBondContact O-CA 3.37Å; E630-C633 WeakPolarHBondContact O-CB 3.37Å; E630-C633 PolarHBondContact O-N 3.05Å; E630-D634 PolarHBondContact O-N 2.88Å; E630-A665 HydrophobicContact CB-CB 4.13Å; E630-A665 WeakPolarHBondContact CB-O 3.45Å; E630-A665 PolarHBondContact N-O 3.43Å
631	K	92.6	Very high	88.2	Confident	91 Å²	91	57.3 Å²	57.3	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-32.2	176.2	-73.1	177.9	179.9	176.8	0	112	D626 L627 S628 Y635	D626-K631 PolarHBondContact O-NZ 2.97Å; D626-K631 IonicContact OD2-NZ 3.11Å; D626-K631 PolarHBondContact OD2-NZ 2.81Å; L627-K631 HydrophobicContact CD1-CB 3.91Å; S628-K631 PolarHBondContact O-N 3.22Å; S628-K631 WeakPolarHBondContact OG-CG 3.24Å; S628-K631 PolarHBondContact OG-N 2.89Å; K631-Y635 VanDerWaalsContact O-CB 3.28Å; K631-Y635 WeakPolarHBondContact O-CB 3.31Å; K631-Y635 PolarHBondContact O-N 2.8Å
632	V	93	Very high	87.7	Confident	1 Å²	1	62 Å²	62	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-44.1	174	177.7	0	0	0	0	111.1	L609 I621 L627 S628 A629 E630 D634 Y635 V636 L650 V669 V691	L609-V632 HydrophobicContact CD1-CG1 3.97Å; L609-V632 HydrophobicContact CD2-CG1 3.4Å; L609-V632 VanDerWaalsContact CD2-CG1 3.4Å; L609-V632 HydrophobicContact CG-CG1 4.35Å; I621-V632 HydrophobicContact CD1-CB 4.42Å; I621-V632 HydrophobicContact CD1-CG1 4.14Å; I621-V632 HydrophobicContact CD1-CG2 3.91Å; L627-V632 HydrophobicContact CD1-CG2 3.98Å; L627-V632 HydrophobicContact CD2-CG2 3.77Å; L627-V632 HydrophobicContact CG-CG2 3.77Å; S628-V632 PolarHBondContact O-N 2.69Å; A629-V632 WeakPolarHBondContact O-CB 3.36Å; A629-V632 PolarHBondContact O-N 2.82Å; A629-V632 VanDerWaalsContact O-N 3.14Å; E630-V632 PolarHBondContact O-N 2.96Å; V632-D634 VanDerWaalsContact C-N 3.35Å; V632-Y635 WeakPolarHBondContact O-CB 3.39Å; V632-Y635 PolarHBondContact O-N 2.99Å; V632-V636 VanDerWaalsContact O-CG2 3.31Å; V632-V636 WeakPolarHBondContact O-CG2 3.21Å; V632-V636 PolarHBondContact O-N 2.96Å; V632-L650 HydrophobicContact CB-CD2 4.5Å; V632-L650 HydrophobicContact CG1-CD1 4.08Å; V632-V669 HydrophobicContact CG2-CG2 3.83Å; V632-V691 HydrophobicContact CG1-CG2 4.01Å
633	C	92.1	Very high	87.2	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-42.6	174.5	-69.4	0	0	0	0	111.6	A629 E630 Y635 V636 R637 L648	A629-C633 PolarHBondContact O-N 2.81Å; E630-C633 CarbonylContact O-C 3.48Å; E630-C633 WeakPolarHBondContact O-CA 3.37Å; E630-C633 WeakPolarHBondContact O-CB 3.37Å; E630-C633 PolarHBondContact O-N 3.05Å; C633-Y635 VanDerWaalsContact C-N 3.34Å; C633-Y635 PolarHBondContact O-N 2.92Å; C633-V636 WeakPolarHBondContact O-CB 3.21Å; C633-V636 PolarHBondContact O-N 2.84Å; C633-R637 WeakPolarHBondContact O-CG 3.37Å; C633-R637 PolarHBondContact O-N 3.46Å; C633-L648 HydrophobicContact CB-CB 4.48Å
634	D	90.8	Very high	86.9	Confident	73 Å²	73	65.2 Å²	65.2	39%	0.39	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-43.8	173.6	-73.8	-20.9	0	0	0	111.9	E630 V632 V636 R637 T638	E630-D634 PolarHBondContact O-N 2.88Å; V632-D634 VanDerWaalsContact C-N 3.35Å; D634-V636 VanDerWaalsContact C-N 3.28Å; D634-V636 PolarHBondContact O-N 3.39Å; D634-R637 WeakPolarHBondContact O-CB 3.33Å; D634-R637 PolarHBondContact O-N 2.86Å; D634-R637 IonicContact OD1-CZ 3.87Å; D634-R637 IonicContact OD1-NH1 3.87Å; D634-R637 PolarHBondContact OD1-NH1 3.39Å; D634-T638 WeakPolarHBondContact O-CG2 3.48Å; D634-T638 PolarHBondContact O-N 3.23Å
635	Y	88.1	Confident	86.6	Confident	66 Å²	66	66.7 Å²	66.7	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-56.7	-43.7	174.5	-179	-89	0	0	0	111.5	F619 I621 K631 V632 C633 T638 R639	F619-Y635 HydrophobicContact CD2-CD1 4.36Å; F619-Y635 AromaticContact CD2-CE1 3.58Å; F619-Y635 HydrophobicContact CD2-CE1 3.58Å; F619-Y635 AromaticContact CE2-CD1 3.52Å; F619-Y635 HydrophobicContact CE2-CD1 3.52Å; F619-Y635 AromaticContact CE2-CE1 3.17Å; F619-Y635 HydrophobicContact CE2-CE1 3.17Å; F619-Y635 HydrophobicContact CG-CE1 4.45Å; F619-Y635 AromaticContact CZ-CD1 3.81Å; F619-Y635 HydrophobicContact CZ-CD1 3.81Å; F619-Y635 AromaticContact CZ-CE1 3.72Å; F619-Y635 HydrophobicContact CZ-CE1 3.72Å; I621-Y635 HydrophobicContact CD1-CD1 3.97Å; I621-Y635 HydrophobicContact CD1-CE1 4.41Å; I621-Y635 HydrophobicContact CD1-CG 4.09Å; K631-Y635 VanDerWaalsContact O-CB 3.28Å; K631-Y635 WeakPolarHBondContact O-CB 3.31Å; K631-Y635 PolarHBondContact O-N 2.8Å; V632-Y635 WeakPolarHBondContact O-CB 3.39Å; V632-Y635 PolarHBondContact O-N 2.99Å; C633-Y635 VanDerWaalsContact C-N 3.34Å; C633-Y635 PolarHBondContact O-N 2.92Å; Y635-T638 PolarHBondContact O-N 2.84Å; Y635-T638 PolarHBondContact O-OG1 2.91Å; Y635-R639 HydrophobicContact CE1-CG 4.4Å; Y635-R639 PolarHBondContact OH-NH2 3.33Å
636	V	89.7	Confident	86.4	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-41.5	175	176.8	0	0	0	0	111.4	L609 V611 F619 V632 C633 D634 T638 R639 I641 L644 L648 V691	L609-V636 HydrophobicContact CD2-CG2 3.77Å; V611-V636 HydrophobicContact CG1-CG1 3.75Å; V611-V636 HydrophobicContact CG2-CG1 4.03Å; V611-V636 HydrophobicContact CG2-CG2 4.05Å; F619-V636 HydrophobicContact CZ-CG2 3.75Å; V632-V636 VanDerWaalsContact O-CG2 3.31Å; V632-V636 WeakPolarHBondContact O-CG2 3.21Å; V632-V636 PolarHBondContact O-N 2.96Å; C633-V636 WeakPolarHBondContact O-CB 3.21Å; C633-V636 PolarHBondContact O-N 2.84Å; D634-V636 VanDerWaalsContact C-N 3.28Å; D634-V636 PolarHBondContact O-N 3.39Å; V636-T638 VanDerWaalsContact C-N 3.27Å; V636-T638 PolarHBondContact O-N 2.95Å; V636-R639 WeakPolarHBondContact O-CB 3.08Å; V636-R639 PolarHBondContact O-N 2.91Å; V636-I641 HydrophobicContact CG1-CD1 3.94Å; V636-L644 HydrophobicContact CG1-CD1 4.07Å; V636-L644 HydrophobicContact CG1-CD2 4.19Å; V636-L648 HydrophobicContact CG1-CD1 4.41Å; V636-V691 HydrophobicContact CB-CG1 4.39Å; V636-V691 HydrophobicContact CG1-CG1 4.31Å; V636-V691 HydrophobicContact CG2-CB 4.01Å; V636-V691 HydrophobicContact CG2-CG1 4.1Å; V636-V691 HydrophobicContact CG2-CG2 3.9Å
637	R	87.9	Confident	86.5	Confident	99 Å²	99	65.8 Å²	65.8	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-37.8	177.1	-69.2	173.4	-173.9	117	2.3	111.9	C633 D634 R639 L648	C633-R637 WeakPolarHBondContact O-CG 3.37Å; C633-R637 PolarHBondContact O-N 3.46Å; D634-R637 WeakPolarHBondContact O-CB 3.33Å; D634-R637 PolarHBondContact O-N 2.86Å; D634-R637 IonicContact OD1-CZ 3.87Å; D634-R637 IonicContact OD1-NH1 3.87Å; D634-R637 PolarHBondContact OD1-NH1 3.39Å; R637-R639 PolarHBondContact O-N 3Å; R637-L648 HydrophobicContact CG-CD1 3.98Å
638	T	87.1	Confident	86.5	Confident	103 Å²	103	65.3 Å²	65.3	63%	0.632	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-12	177.7	67	0	0	0	0	114.4	D634 Y635 V636 N640	D634-T638 WeakPolarHBondContact O-CG2 3.48Å; D634-T638 PolarHBondContact O-N 3.23Å; Y635-T638 PolarHBondContact O-N 2.84Å; Y635-T638 PolarHBondContact O-OG1 2.91Å; V636-T638 VanDerWaalsContact C-N 3.27Å; V636-T638 PolarHBondContact O-N 2.95Å; T638-N640 VanDerWaalsContact C-N 3.33Å; T638-N640 PolarHBondContact O-N 2.73Å
639	R	83.7	Confident	86.4	Confident	134 Å²	134	64.7 Å²	64.7	51%	0.506	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	3.9	-176.4	-69.3	-68.9	-176.2	177.1	-2	114.7	F619 Y635 V636 R637 I641	F619-R639 HydrophobicContact CE1-CG 4.25Å; Y635-R639 HydrophobicContact CE1-CG 4.4Å; Y635-R639 PolarHBondContact OH-NH2 3.33Å; V636-R639 WeakPolarHBondContact O-CB 3.08Å; V636-R639 PolarHBondContact O-N 2.91Å; R637-R639 PolarHBondContact O-N 3Å; R639-I641 VanDerWaalsContact C-N 3.29Å; R639-I641 HydrophobicContact CB-CD1 4.23Å; R639-I641 HydrophobicContact CB-CG1 4.08Å; R639-I641 PolarHBondContact O-N 3.11Å
640	N	78.3	Confident	86.5	Confident	151 Å²	151	64.7 Å²	64.7	81%	0.807	35%	0.347	S	S	*	.			trans	48.6	46.5	177.7	-81.6	-13.6	0	0	0	113.3	T638	T638-N640 VanDerWaalsContact C-N 3.33Å; T638-N640 PolarHBondContact O-N 2.73Å
641	I	82.6	Confident	86.6	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.118	33%	0.326	C	S	.	.			trans	-75.9	127.1	179.6	-62	170.3	0	0	0	109.4	V611 I612 I617 F619 V636 R639 L644	V611-I641 HydrophobicContact CB-CD1 4.22Å; V611-I641 HydrophobicContact CG1-CD1 3.74Å; V611-I641 HydrophobicContact CG2-CD1 4.2Å; I612-I641 HydrophobicContact CD1-CG2 4.46Å; I617-I641 HydrophobicContact CD1-CG2 3.69Å; I617-I641 HydrophobicContact CG2-CD1 4.11Å; F619-I641 HydrophobicContact CE1-CD1 4.45Å; V636-I641 HydrophobicContact CG1-CD1 3.94Å; R639-I641 VanDerWaalsContact C-N 3.29Å; R639-I641 HydrophobicContact CB-CD1 4.23Å; R639-I641 HydrophobicContact CB-CG1 4.08Å; R639-I641 PolarHBondContact O-N 3.11Å; I641-L644 HydrophobicContact CB-CB 4.49Å; I641-L644 HydrophobicContact CB-CD1 4.39Å; I641-L644 HydrophobicContact CG2-CD1 4.45Å; I641-L644 WeakPolarHBondContact O-CB 3.26Å
642	P	77.8	Confident	86.6	Confident	105 Å²	105	56.1 Å²	56.1	68%	0.682	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	146.9	177.3	-19.6	30.5	0	0	0	111.9	L644	P642-L644 PolarHBondContact O-N 3.43Å; P642-L644 VanDerWaalsContact O-N 3.16Å
643	S	77.2	Confident	86.7	Confident	116 Å²	116	56.2 Å²	56.2	81%	0.811	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	22.9	178.1	62.6	0	0	0	0	115.1	P645	S643-P645 WeakPolarHBondContact O-CD 3.49Å
644	L	81.2	Confident	86.6	Confident	43 Å²	43	56.8 Å²	56.8	23%	0.225	31%	0.311	C	S	.	.			trans	-67	127.4	177.5	-165.5	70.8	0	0	0	110.2	V611 I612 V636 I641 P642 L648	V611-L644 HydrophobicContact CG1-CD1 4.05Å; I612-L644 HydrophobicContact CD1-CD1 4.22Å; I612-L644 HydrophobicContact CG1-CD1 4.48Å; V636-L644 HydrophobicContact CG1-CD1 4.07Å; V636-L644 HydrophobicContact CG1-CD2 4.19Å; I641-L644 HydrophobicContact CB-CB 4.49Å; I641-L644 HydrophobicContact CB-CD1 4.39Å; I641-L644 HydrophobicContact CG2-CD1 4.45Å; I641-L644 WeakPolarHBondContact O-CB 3.26Å; P642-L644 PolarHBondContact O-N 3.43Å; P642-L644 VanDerWaalsContact O-N 3.16Å; L644-L648 HydrophobicContact CD1-CD1 4.07Å; L644-L648 HydrophobicContact CD1-CD2 4.01Å; L644-L648 HydrophobicContact CD2-CD1 3.69Å; L644-L648 HydrophobicContact CG-CD1 3.83Å; L644-L648 HydrophobicContact CG-CD2 4.18Å; L644-L648 HydrophobicContact CG-CG 4.5Å
645	P	79.8	Confident	86.1	Confident	36 Å²	36	55.3 Å²	55.3	23%	0.234	31%	0.306	C	S	.	.			trans	-57.8	150.9	176.3	-23.1	30.4	0	0	0	113	S643 L648 V693	S643-P645 WeakPolarHBondContact O-CD 3.49Å; P645-L648 HydrophobicContact CB-CD2 4.07Å; P645-L648 HydrophobicContact CG-CD2 4.13Å; P645-V693 HydrophobicContact CB-CB 4.4Å; P645-V693 HydrophobicContact CB-CG2 3.65Å; P645-V693 HydrophobicContact CG-CB 4.36Å; P645-V693 HydrophobicContact CG-CG2 3.27Å
646	T	78.9	Confident	85.6	Confident	147 Å²	147	58.2 Å²	58.2	90%	0.902	33%	0.326	S	S	*	.	S	Bend	trans	-66.6	-44.6	177.4	43.2	0	0	0	0	112.3
647	S	86.5	Confident	85.3	Confident	43 Å²	43	60.3 Å²	60.3	30%	0.301	35%	0.348	S	S	.	.	S	Bend	trans	-98.3	120.8	174.4	-165.2	0	0	0	0	110.4	V693 D694 T697	S647-V693 WeakPolarHBondContact O-CA 3.36Å; S647-D694 PolarHBondContact O-N 2.94Å; S647-T697 PolarHBondContact OG-OG1 3.4Å
648	L	89	Confident	85	Confident	11 Å²	11	63.6 Å²	63.6	6%	0.058	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.2	-179.8	-64.7	172.6	0	0	0	109.5	C633 V636 R637 L644 P645 V691 K692	C633-L648 HydrophobicContact CB-CB 4.48Å; V636-L648 HydrophobicContact CG1-CD1 4.41Å; R637-L648 HydrophobicContact CG-CD1 3.98Å; L644-L648 HydrophobicContact CD1-CD1 4.07Å; L644-L648 HydrophobicContact CD1-CD2 4.01Å; L644-L648 HydrophobicContact CD2-CD1 3.69Å; L644-L648 HydrophobicContact CG-CD1 3.83Å; L644-L648 HydrophobicContact CG-CD2 4.18Å; L644-L648 HydrophobicContact CG-CG 4.5Å; P645-L648 HydrophobicContact CB-CD2 4.07Å; P645-L648 HydrophobicContact CG-CD2 4.13Å; L648-V691 HydrophobicContact CB-CG1 4Å; L648-V691 HydrophobicContact CD1-CG1 4.28Å; L648-V691 HydrophobicContact CD2-CG1 4.24Å; L648-V691 HydrophobicContact CG-CG1 4.41Å; L648-K692 WeakPolarHBondContact CA-O 3.46Å
649	A	92.4	Very high	85	Confident	8 Å²	8	63.5 Å²	63.5	7%	0.066	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.3	168.1	0	0	0	0	0	110.8	H651 V662 K692 D694	A649-H651 PolarHBondContact O-CE1 2.9Å; A649-H651 PolarHBondContact O-ND1 3.27Å; A649-V662 HydrophobicContact CB-CG1 3.77Å; A649-K692 PolarHBondContact N-O 3.27Å; A649-K692 PolarHBondContact O-N 3.38Å; A649-K692 VanDerWaalsContact O-N 3.14Å; A649-D694 HydrophobicContact CB-CB 3.71Å
650	L	95	Very high	85.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.8	169.8	-177.1	65.9	0	0	0	109	L609 A629 V632 V663 V669 L689 V691	L609-L650 HydrophobicContact CD1-CD1 3.84Å; A629-L650 HydrophobicContact CB-CB 4Å; A629-L650 HydrophobicContact CB-CD2 3.75Å; V632-L650 HydrophobicContact CB-CD2 4.5Å; V632-L650 HydrophobicContact CG1-CD1 4.08Å; L650-V663 HydrophobicContact CB-CB 4.17Å; L650-V663 HydrophobicContact CD2-CB 4.32Å; L650-V663 HydrophobicContact CD2-CG1 4.33Å; L650-V663 HydrophobicContact CD2-CG2 4.36Å; L650-V663 HydrophobicContact CG-CB 4.27Å; L650-V663 HydrophobicContact CG-CG2 4.17Å; L650-V663 WeakPolarHBondContact O-CB 3.17Å; L650-V663 PolarHBondContact O-N 2.72Å; L650-V669 HydrophobicContact CD2-CG1 4.5Å; L650-V669 HydrophobicContact CD2-CG2 3.67Å; L650-L689 HydrophobicContact CD1-CB 4.13Å; L650-L689 HydrophobicContact CD1-CD2 4.47Å; L650-L689 HydrophobicContact CD2-CD2 4.49Å; L650-V691 HydrophobicContact CB-CG2 4.45Å; L650-V691 HydrophobicContact CD1-CG2 3.58Å
651	H	94.5	Very high	85.9	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.2	176.7	-63.3	65.2	0	0	0	109.5	A649 E660 R661 I690 K692	A649-H651 PolarHBondContact O-CE1 2.9Å; A649-H651 PolarHBondContact O-ND1 3.27Å; H651-E660 HydrophobicContact CB-CG 4.15Å; H651-E660 WeakPolarHBondContact CB-OE1 3.41Å; H651-E660 IonicContact CD2-OE1 3.15Å; H651-E660 PolarHBondContact CD2-OE1 2.9Å; H651-E660 IonicContact CG-OE1 2.56Å; H651-R661 CarbonylContact C-O 3.5Å; H651-R661 VanDerWaalsContact CA-O 3.3Å; H651-R661 WeakPolarHBondContact CA-O 3.48Å; H651-I690 WeakPolarHBondContact CA-O 3.46Å; H651-I690 HydrophobicContact CB-CG2 3.78Å; H651-I690 WeakPolarHBondContact CB-O 3.41Å; H651-I690 PolarHBondContact N-O 3.17Å; H651-I690 PolarHBondContact O-N 2.9Å; H651-K692 WeakPolarHBondContact CD2-CE 3.41Å; H651-K692 WeakPolarHBondContact CE1-CG 3.46Å; H651-K692 WeakPolarHBondContact ND1-CG 3.39Å; H651-K692 WeakPolarHBondContact NE2-CE 3.46Å
652	E	94.1	Very high	86.3	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.019	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.2	171	-170.1	-164.6	174.2	0	0	107.8	I654 E660 R661 V663 I672 R675 W676	E652-I654 HydrophobicContact CG-CG2 4.02Å; E652-E660 WeakPolarHBondContact O-CA 3.11Å; E652-R661 HydrophobicContact CB-CB 4.38Å; E652-R661 PolarHBondContact N-O 3.14Å; E652-R661 PolarHBondContact O-N 3.03Å; E652-R661 IonicContact OE2-CZ 3.48Å; E652-R661 IonicContact OE2-NH1 3.14Å; E652-R661 PolarHBondContact OE2-NH1 2.84Å; E652-V663 HydrophobicContact CB-CG2 3.84Å; E652-I672 HydrophobicContact CG-CG2 3.85Å; E652-R675 IonicContact OE1-CZ 2.68Å; E652-R675 IonicContact OE1-NH1 2.71Å; E652-R675 IonicContact OE1-NH2 3.62Å; E652-R675 PolarHBondContact OE1-NH2 3.08Å; E652-R675 IonicContact OE2-CZ 3.29Å; E652-R675 IonicContact OE2-NH2 3.81Å; E652-R675 PolarHBondContact OE2-NH2 2.99Å; E652-W676 HydrophobicContact CG-CZ2 3.43Å; E652-W676 VanDerWaalsContact CG-CZ2 3.43Å; E652-W676 PolarHBondContact OE1-NE1 2.89Å
653	V	93.3	Very high	87	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.5	174.9	-173.6	0	0	0	0	109	L659 E660 N687 Y688 I690	V653-L659 WeakPolarHBondContact CA-O 3.26Å; V653-E660 HydrophobicContact CG2-CB 4.32Å; V653-E660 HydrophobicContact CG2-CG 3.97Å; V653-N687 CarbonylContact O-C 3.52Å; V653-N687 VanDerWaalsContact O-CA 3.28Å; V653-N687 WeakPolarHBondContact O-CA 3.27Å; V653-Y688 HydrophobicContact CB-CD1 4.19Å; V653-Y688 HydrophobicContact CB-CD2 4.17Å; V653-Y688 HydrophobicContact CB-CE1 3.79Å; V653-Y688 HydrophobicContact CB-CE2 3.77Å; V653-Y688 HydrophobicContact CB-CG 4.37Å; V653-Y688 HydrophobicContact CG1-CD1 4.37Å; V653-Y688 HydrophobicContact CG1-CE1 3.6Å; V653-Y688 HydrophobicContact CG1-CE2 4.25Å; V653-Y688 HydrophobicContact CG2-CD2 4.31Å; V653-Y688 HydrophobicContact CG2-CE2 3.67Å; V653-Y688 PolarHBondContact N-O 3.24Å; V653-Y688 PolarHBondContact O-N 3.21Å; V653-I690 HydrophobicContact CG2-CG2 3.78Å
654	I	91.3	Very high	87.7	Confident	17 Å²	17	53 Å²	53	9%	0.087	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	163.8	-175.5	64.7	170.6	0	0	0	112.4	E652 D656 G657 Q658 L659 W676 W679 N687	E652-I654 HydrophobicContact CG-CG2 4.02Å; I654-D656 VanDerWaalsContact C-N 3.31Å; I654-D656 PolarHBondContact O-N 3.05Å; I654-G657 PolarHBondContact O-N 3.39Å; I654-Q658 PolarHBondContact O-N 2.82Å; I654-L659 HydrophobicContact CD1-CB 4.22Å; I654-L659 HydrophobicContact CD1-CD2 3.78Å; I654-L659 HydrophobicContact CG1-CB 3.77Å; I654-L659 HydrophobicContact CG1-CD2 4.2Å; I654-L659 HydrophobicContact CG1-CG 4.45Å; I654-L659 PolarHBondContact N-O 3.48Å; I654-L659 PolarHBondContact O-N 3.39Å; I654-W676 HydrophobicContact CG2-CZ2 4.17Å; I654-W679 HydrophobicContact CB-CH2 4.42Å; I654-W679 HydrophobicContact CB-CZ3 4.06Å; I654-W679 HydrophobicContact CD1-CH2 3.63Å; I654-W679 HydrophobicContact CD1-CZ3 3.96Å; I654-W679 HydrophobicContact CG2-CH2 4.19Å; I654-W679 HydrophobicContact CG2-CZ3 4.06Å; I654-N687 VanDerWaalsContact CA-OD1 3.23Å; I654-N687 WeakPolarHBondContact CA-OD1 3.27Å; I654-N687 HydrophobicContact CG2-CB 4.38Å
655	C	80.8	Confident	88	Confident	43 Å²	43	53.1 Å²	53.1	29%	0.291	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	53.5	48	176.9	-61.6	0	0	0	0	112.2	G657 Q658 N687	C655-G657 VanDerWaalsContact C-N 3.27Å; C655-G657 PolarHBondContact O-N 3.34Å; C655-Q658 HydrophobicContact CB-CB 4.03Å; C655-Q658 WeakPolarHBondContact O-CB 3.43Å; C655-Q658 VanDerWaalsContact O-CG 3.22Å; C655-Q658 WeakPolarHBondContact O-CG 3.15Å; C655-Q658 PolarHBondContact O-N 3.04Å; C655-N687 PolarHBondContact N-OD1 2.83Å
656	D	77.3	Confident	88.6	Confident	126 Å²	126	58.2 Å²	58.2	67%	0.674	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	57.1	36.3	177.3	-140.7	14.1	0	0	0	114.1	I654	I654-D656 VanDerWaalsContact C-N 3.31Å; I654-D656 PolarHBondContact O-N 3.05Å
657	G	82	Confident	89.3	Confident	44 Å²	44	53.6 Å²	53.6	45%	0.454	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	93	3.8	177.7	0	0	0	0	0	114.9	I654 C655 L659	I654-G657 PolarHBondContact O-N 3.39Å; C655-G657 VanDerWaalsContact C-N 3.27Å; C655-G657 PolarHBondContact O-N 3.34Å; G657-L659 VanDerWaalsContact C-N 3.33Å
658	Q	82.6	Confident	89.6	Confident	169 Å²	169	52.5 Å²	52.5	79%	0.79	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.7	177.7	-73.8	-176.5	-10.1	0	0	113.4	I654 C655	I654-Q658 PolarHBondContact O-N 2.82Å; C655-Q658 HydrophobicContact CB-CB 4.03Å; C655-Q658 WeakPolarHBondContact O-CB 3.43Å; C655-Q658 VanDerWaalsContact O-CG 3.22Å; C655-Q658 WeakPolarHBondContact O-CG 3.15Å; C655-Q658 PolarHBondContact O-N 3.04Å
659	L	86.5	Confident	89.8	Confident	101 Å²	101	52 Å²	52	53%	0.529	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.1	176.1	-170.1	75.7	0	0	0	110.4	V653 I654 G657	V653-L659 WeakPolarHBondContact CA-O 3.26Å; I654-L659 HydrophobicContact CD1-CB 4.22Å; I654-L659 HydrophobicContact CD1-CD2 3.78Å; I654-L659 HydrophobicContact CG1-CB 3.77Å; I654-L659 HydrophobicContact CG1-CD2 4.2Å; I654-L659 HydrophobicContact CG1-CG 4.45Å; I654-L659 PolarHBondContact N-O 3.48Å; I654-L659 PolarHBondContact O-N 3.39Å; G657-L659 VanDerWaalsContact C-N 3.33Å
660	E	90.1	Very high	89.7	Confident	86 Å²	86	53.9 Å²	53.9	40%	0.402	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.3	172.7	178.7	168.2	-151.3	0	0	109.6	H651 E652 V653 K692	H651-E660 HydrophobicContact CB-CG 4.15Å; H651-E660 WeakPolarHBondContact CB-OE1 3.41Å; H651-E660 IonicContact CD2-OE1 3.15Å; H651-E660 PolarHBondContact CD2-OE1 2.9Å; H651-E660 IonicContact CG-OE1 2.56Å; E652-E660 WeakPolarHBondContact O-CA 3.11Å; V653-E660 HydrophobicContact CG2-CB 4.32Å; V653-E660 HydrophobicContact CG2-CG 3.97Å; E660-K692 WeakPolarHBondContact OE1-CE 3.42Å; E660-K692 IonicContact OE1-NZ 2.74Å; E660-K692 PolarHBondContact OE1-NZ 2.82Å; E660-K692 IonicContact OE2-NZ 3.47Å; E660-K692 PolarHBondContact OE2-NZ 3.22Å
661	R	90.9	Very high	89.5	Confident	90 Å²	90	58.4 Å²	58.4	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.7	-178.1	168.1	-176.9	161.5	-141.5	2.6	109.9	H651 E652 E667	H651-R661 CarbonylContact C-O 3.5Å; H651-R661 VanDerWaalsContact CA-O 3.3Å; H651-R661 WeakPolarHBondContact CA-O 3.48Å; E652-R661 HydrophobicContact CB-CB 4.38Å; E652-R661 PolarHBondContact N-O 3.14Å; E652-R661 PolarHBondContact O-N 3.03Å; E652-R661 IonicContact OE2-CZ 3.48Å; E652-R661 IonicContact OE2-NH1 3.14Å; E652-R661 PolarHBondContact OE2-NH1 2.84Å; R661-E667 IonicContact CZ-OE1 3.16Å; R661-E667 IonicContact CZ-OE2 2.83Å; R661-E667 IonicContact NH1-OE1 2.69Å; R661-E667 PolarHBondContact NH1-OE1 3.45Å; R661-E667 IonicContact NH2-OE1 3.05Å; R661-E667 PolarHBondContact NH2-OE1 2.8Å; R661-E667 IonicContact NH2-OE2 3.96Å; R661-E667 PolarHBondContact NH2-OE2 2.76Å
662	V	91.5	Very high	89.4	Confident	49 Å²	49	58 Å²	58	30%	0.297	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.4	168.9	-170	0	0	0	0	108.9	A649 L696	A649-V662 HydrophobicContact CB-CG1 3.77Å; V662-L696 HydrophobicContact CB-CD1 4.13Å; V662-L696 HydrophobicContact CG2-CD1 3.75Å
663	V	92.4	Very high	89.2	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.042	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-88.4	131.8	179.4	-177.1	0	0	0	0	109	A629 L650 E652 E667 I672	A629-V663 HydrophobicContact CB-CB 4.23Å; A629-V663 HydrophobicContact CB-CG1 3.64Å; L650-V663 HydrophobicContact CB-CB 4.17Å; L650-V663 HydrophobicContact CD2-CB 4.32Å; L650-V663 HydrophobicContact CD2-CG1 4.33Å; L650-V663 HydrophobicContact CD2-CG2 4.36Å; L650-V663 HydrophobicContact CG-CB 4.27Å; L650-V663 HydrophobicContact CG-CG2 4.17Å; L650-V663 WeakPolarHBondContact O-CB 3.17Å; L650-V663 PolarHBondContact O-N 2.72Å; E652-V663 HydrophobicContact CB-CG2 3.84Å; V663-E667 HydrophobicContact CG1-CB 3.82Å; V663-E667 HydrophobicContact CG1-CG 4.2Å; V663-I672 HydrophobicContact CB-CD1 4.35Å; V663-I672 HydrophobicContact CG1-CD1 3.47Å; V663-I672 VanDerWaalsContact CG1-CD1 3.47Å; V663-I672 HydrophobicContact CG2-CD1 3.86Å
664	S	90.7	Very high	88.9	Confident	76 Å²	76	62 Å²	62	53%	0.531	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.8	143.3	178.1	-62.2	0	0	0	0	110.8	A629 D666 E667	A629-S664 VanDerWaalsContact CB-O 3.32Å; A629-S664 WeakPolarHBondContact CB-O 3.35Å; S664-D666 PolarHBondContact O-N 3.26Å; S664-D666 VanDerWaalsContact O-N 3.11Å; S664-E667 VanDerWaalsContact O-CB 3.28Å; S664-E667 WeakPolarHBondContact O-CB 3.1Å; S664-E667 PolarHBondContact O-N 3.31Å
665	A	89.1	Confident	88.9	Confident	46 Å²	46	65.4 Å²	65.4	38%	0.38	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-39.3	-175.6	0	0	0	0	0	113.5	S628 A629 E630	S628-A665 WeakPolarHBondContact CB-O 3.29Å; A629-A665 PolarHBondContact N-O 3.04Å; E630-A665 HydrophobicContact CB-CB 4.13Å; E630-A665 WeakPolarHBondContact CB-O 3.45Å; E630-A665 PolarHBondContact N-O 3.43Å
666	D	90.9	Very high	89.3	Confident	143 Å²	143	63.9 Å²	63.9	77%	0.765	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.2	-175.9	-43.4	-32.5	0	0	0	113.1	S664	S664-D666 PolarHBondContact O-N 3.26Å; S664-D666 VanDerWaalsContact O-N 3.11Å
667	E	93.4	Very high	89.7	Confident	49 Å²	49	62.1 Å²	62.1	23%	0.229	33%	0.329	C	S	.	.	S	Bend	trans	-72.6	138	-174.8	-168.4	174.2	172.3	0	0	111.2	S628 A629 R661 V663 S664 V669 I672	S628-E667 WeakPolarHBondContact CA-O 3.2Å; A629-E667 PolarHBondContact N-O 3.27Å; R661-E667 IonicContact CZ-OE1 3.16Å; R661-E667 IonicContact CZ-OE2 2.83Å; R661-E667 IonicContact NH1-OE1 2.69Å; R661-E667 PolarHBondContact NH1-OE1 3.45Å; R661-E667 IonicContact NH2-OE1 3.05Å; R661-E667 PolarHBondContact NH2-OE1 2.8Å; R661-E667 IonicContact NH2-OE2 3.96Å; R661-E667 PolarHBondContact NH2-OE2 2.76Å; V663-E667 HydrophobicContact CG1-CB 3.82Å; V663-E667 HydrophobicContact CG1-CG 4.2Å; S664-E667 VanDerWaalsContact O-CB 3.28Å; S664-E667 WeakPolarHBondContact O-CB 3.1Å; S664-E667 PolarHBondContact O-N 3.31Å; E667-V669 PolarHBondContact O-N 2.82Å; E667-I672 HydrophobicContact CG-CD1 4.23Å; E667-I672 HydrophobicContact CG-CG1 4.48Å
668	S	93.1	Very high	89.9	Confident	21 Å²	21	64.3 Å²	64.3	15%	0.147	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-73.1	118.4	178.8	170.3	0	0	0	0	110.8	F670 D671 I672	S668-F670 PolarHBondContact O-N 2.88Å; S668-F670 PolarHBondContact OG-N 3.02Å; S668-D671 WeakPolarHBondContact CB-OD2 3.19Å; S668-D671 PolarHBondContact O-N 3.33Å; S668-D671 PolarHBondContact OG-N 3.31Å; S668-D671 PolarHBondContact OG-OD2 3.43Å; S668-D671 VanDerWaalsContact OG-OD2 3.12Å; S668-I672 PolarHBondContact O-N 3.22Å
669	V	93	Very high	90.1	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-32.1	175.9	-175.4	0	0	0	0	110.5	I623 L627 A629 V632 L650 E667 D671 I672 I673 L689	I623-V669 HydrophobicContact CD1-CG1 3.97Å; I623-V669 HydrophobicContact CG2-CG1 4.46Å; L627-V669 HydrophobicContact CD2-CB 4.44Å; L627-V669 WeakPolarHBondContact O-CB 3.13Å; L627-V669 PolarHBondContact O-N 3.45Å; A629-V669 HydrophobicContact CB-CG2 4.46Å; V632-V669 HydrophobicContact CG2-CG2 3.83Å; L650-V669 HydrophobicContact CD2-CG1 4.5Å; L650-V669 HydrophobicContact CD2-CG2 3.67Å; E667-V669 PolarHBondContact O-N 2.82Å; V669-D671 VanDerWaalsContact C-N 3.33Å; V669-D671 PolarHBondContact O-N 3.36Å; V669-I672 PolarHBondContact O-N 3.44Å; V669-I673 WeakPolarHBondContact O-CG1 3.49Å; V669-I673 PolarHBondContact O-N 3.5Å; V669-I673 VanDerWaalsContact O-N 3.15Å; V669-L689 HydrophobicContact CG1-CD1 3.4Å; V669-L689 VanDerWaalsContact CG1-CD1 3.4Å
670	F	91	Very high	90	Very high	46 Å²	46	58.1 Å²	58.1	20%	0.202	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-45.8	174.7	-176.8	-92	0	0	0	111.5	F605 I623 V625 S668 I672 I673 M674	F605-F670 HydrophobicContact CD1-CE2 4.29Å; F605-F670 AromaticContact CE1-CD2 3.77Å; F605-F670 HydrophobicContact CE1-CD2 3.77Å; F605-F670 AromaticContact CE1-CE2 3.66Å; F605-F670 HydrophobicContact CE1-CE2 3.66Å; F605-F670 HydrophobicContact CZ-CD2 4.43Å; I623-F670 HydrophobicContact CG2-CB 3.96Å; I623-F670 HydrophobicContact CG2-CD2 4.15Å; V625-F670 HydrophobicContact CG2-CD1 4.44Å; V625-F670 HydrophobicContact CG2-CD2 4.41Å; V625-F670 HydrophobicContact CG2-CE1 4.38Å; V625-F670 HydrophobicContact CG2-CE2 4.35Å; V625-F670 HydrophobicContact CG2-CG 4.46Å; V625-F670 HydrophobicContact CG2-CZ 4.34Å; S668-F670 PolarHBondContact O-N 2.88Å; S668-F670 PolarHBondContact OG-N 3.02Å; F670-I672 VanDerWaalsContact C-N 3.32Å; F670-I672 PolarHBondContact O-N 3.44Å; F670-I673 PolarHBondContact O-N 2.88Å; F670-M674 HydrophobicContact CD1-CG 3.84Å; F670-M674 HydrophobicContact CE1-CG 3.48Å; F670-M674 VanDerWaalsContact CE1-CG 3.48Å; F670-M674 HydrophobicContact CE1-SD 4.29Å; F670-M674 HydrophobicContact CE2-CG 4.36Å; F670-M674 HydrophobicContact CE2-SD 4.48Å; F670-M674 HydrophobicContact CG-CG 4.42Å; F670-M674 HydrophobicContact CZ-CG 3.76Å; F670-M674 HydrophobicContact CZ-SD 3.98Å; F670-M674 WeakPolarHBondContact O-CB 3.48Å; F670-M674 VanDerWaalsContact O-CG 3.29Å; F670-M674 WeakPolarHBondContact O-CG 3.4Å; F670-M674 PolarHBondContact O-N 2.94Å
671	D	90.8	Very high	89.4	Confident	97 Å²	97	59.5 Å²	59.5	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-67.1	-34.8	-178.4	-64.4	-28.5	0	0	0	112.1	S668 V669 M674 R675	S668-D671 WeakPolarHBondContact CB-OD2 3.19Å; S668-D671 PolarHBondContact O-N 3.33Å; S668-D671 PolarHBondContact OG-N 3.31Å; S668-D671 PolarHBondContact OG-OD2 3.43Å; S668-D671 VanDerWaalsContact OG-OD2 3.12Å; V669-D671 VanDerWaalsContact C-N 3.33Å; V669-D671 PolarHBondContact O-N 3.36Å; D671-M674 PolarHBondContact O-N 3.02Å; D671-R675 WeakPolarHBondContact O-CB 3.44Å; D671-R675 PolarHBondContact O-N 3.3Å
672	I	92.1	Very high	88.8	Confident	1 Å²	1	60 Å²	60	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-50.6	173.7	-64.1	170.1	0	0	0	110.7	E652 V663 E667 S668 V669 F670 R675 W676 L689	E652-I672 HydrophobicContact CG-CG2 3.85Å; V663-I672 HydrophobicContact CB-CD1 4.35Å; V663-I672 HydrophobicContact CG1-CD1 3.47Å; V663-I672 VanDerWaalsContact CG1-CD1 3.47Å; V663-I672 HydrophobicContact CG2-CD1 3.86Å; E667-I672 HydrophobicContact CG-CD1 4.23Å; E667-I672 HydrophobicContact CG-CG1 4.48Å; S668-I672 PolarHBondContact O-N 3.22Å; V669-I672 PolarHBondContact O-N 3.44Å; F670-I672 VanDerWaalsContact C-N 3.32Å; F670-I672 PolarHBondContact O-N 3.44Å; I672-R675 WeakPolarHBondContact O-CB 3.41Å; I672-R675 PolarHBondContact O-N 2.92Å; I672-W676 HydrophobicContact CG2-CZ2 3.98Å; I672-W676 PolarHBondContact O-N 3.19Å; I672-W676 VanDerWaalsContact O-N 3.13Å; I672-L689 HydrophobicContact CG2-CD2 4.42Å
673	I	89.8	Confident	88.3	Confident	6 Å²	6	61 Å²	61	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-40.8	-179.2	-57.9	-56.5	0	0	0	111.4	F605 I623 V669 F670 R675 W676 I677 L689	F605-I673 HydrophobicContact CE2-CB 4.27Å; F605-I673 HydrophobicContact CE2-CG1 4.39Å; F605-I673 HydrophobicContact CE2-CG2 3.66Å; F605-I673 HydrophobicContact CZ-CB 3.82Å; F605-I673 HydrophobicContact CZ-CG1 4.27Å; F605-I673 HydrophobicContact CZ-CG2 3.5Å; F605-I673 VanDerWaalsContact CZ-CG2 3.5Å; I623-I673 HydrophobicContact CD1-CD1 4.36Å; I623-I673 HydrophobicContact CD1-CG1 3.68Å; V669-I673 WeakPolarHBondContact O-CG1 3.49Å; V669-I673 PolarHBondContact O-N 3.5Å; V669-I673 VanDerWaalsContact O-N 3.15Å; F670-I673 PolarHBondContact O-N 2.88Å; I673-R675 PolarHBondContact O-N 3.48Å; I673-W676 HydrophobicContact CD1-CD2 4.16Å; I673-W676 HydrophobicContact CD1-CE3 3.37Å; I673-W676 HydrophobicContact CD1-CH2 3.82Å; I673-W676 HydrophobicContact CD1-CZ3 3.15Å; I673-W676 WeakPolarHBondContact O-CB 3.41Å; I673-W676 PolarHBondContact O-N 2.95Å; I673-W676 VanDerWaalsContact O-N 3.1Å; I673-I677 HydrophobicContact CG2-CD1 4.01Å; I673-I677 HydrophobicContact CG2-CG1 4.44Å; I673-I677 WeakPolarHBondContact O-CG1 3.25Å; I673-I677 PolarHBondContact O-N 3.09Å; I673-L689 HydrophobicContact CD1-CD1 3.89Å; I673-L689 HydrophobicContact CD1-CG 4.17Å
674	M	88.3	Confident	87.8	Confident	85 Å²	85	64.8 Å²	64.8	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-35.7	176.2	-71.6	-55.1	-61.2	0	0	111.7	F670 D671 I677 S678	F670-M674 HydrophobicContact CD1-CG 3.84Å; F670-M674 HydrophobicContact CE1-CG 3.48Å; F670-M674 VanDerWaalsContact CE1-CG 3.48Å; F670-M674 HydrophobicContact CE1-SD 4.29Å; F670-M674 HydrophobicContact CE2-CG 4.36Å; F670-M674 HydrophobicContact CE2-SD 4.48Å; F670-M674 HydrophobicContact CG-CG 4.42Å; F670-M674 HydrophobicContact CZ-CG 3.76Å; F670-M674 HydrophobicContact CZ-SD 3.98Å; F670-M674 WeakPolarHBondContact O-CB 3.48Å; F670-M674 VanDerWaalsContact O-CG 3.29Å; F670-M674 WeakPolarHBondContact O-CG 3.4Å; F670-M674 PolarHBondContact O-N 2.94Å; D671-M674 PolarHBondContact O-N 3.02Å; M674-I677 PolarHBondContact O-N 2.84Å; M674-I677 HydrophobicContact SD-CD1 4.03Å; M674-S678 PolarHBondContact O-N 2.82Å
675	R	89.6	Confident	87.3	Confident	88 Å²	88	66.7 Å²	66.7	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-43.6	172.1	-177.4	169	53.5	94.7	7.6	111.8	E652 D671 I672 I673 I677 S678 W679	E652-R675 IonicContact OE1-CZ 2.68Å; E652-R675 IonicContact OE1-NH1 2.71Å; E652-R675 IonicContact OE1-NH2 3.62Å; E652-R675 PolarHBondContact OE1-NH2 3.08Å; E652-R675 IonicContact OE2-CZ 3.29Å; E652-R675 IonicContact OE2-NH2 3.81Å; E652-R675 PolarHBondContact OE2-NH2 2.99Å; D671-R675 WeakPolarHBondContact O-CB 3.44Å; D671-R675 PolarHBondContact O-N 3.3Å; I672-R675 WeakPolarHBondContact O-CB 3.41Å; I672-R675 PolarHBondContact O-N 2.92Å; I673-R675 PolarHBondContact O-N 3.48Å; R675-I677 VanDerWaalsContact C-N 3.32Å; R675-I677 PolarHBondContact O-N 2.81Å; R675-S678 WeakPolarHBondContact O-CB 3.47Å; R675-S678 PolarHBondContact O-N 2.73Å; R675-S678 VanDerWaalsContact O-N 3.14Å; R675-S678 PolarHBondContact O-OG 2.88Å; R675-W679 HydrophobicContact CG-CZ2 4.36Å; R675-W679 VanDerWaalsContact O-CD1 3.29Å; R675-W679 PolarHBondContact O-NE1 2.99Å
676	W	89.9	Confident	87.1	Confident	11 Å²	11	65.2 Å²	65.2	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-38.1	175	-61.1	-14.5	0	0	0	113.5	H607 E652 I654 I672 I673 S678 W679 R684 N687 Y688 L689	H607-W676 AromaticContact NE2-CZ3 3.72Å; E652-W676 HydrophobicContact CG-CZ2 3.43Å; E652-W676 VanDerWaalsContact CG-CZ2 3.43Å; E652-W676 PolarHBondContact OE1-NE1 2.89Å; I654-W676 HydrophobicContact CG2-CZ2 4.17Å; I672-W676 HydrophobicContact CG2-CZ2 3.98Å; I672-W676 PolarHBondContact O-N 3.19Å; I672-W676 VanDerWaalsContact O-N 3.13Å; I673-W676 HydrophobicContact CD1-CD2 4.16Å; I673-W676 HydrophobicContact CD1-CE3 3.37Å; I673-W676 HydrophobicContact CD1-CH2 3.82Å; I673-W676 HydrophobicContact CD1-CZ3 3.15Å; I673-W676 WeakPolarHBondContact O-CB 3.41Å; I673-W676 PolarHBondContact O-N 2.95Å; I673-W676 VanDerWaalsContact O-N 3.1Å; W676-S678 PolarHBondContact O-N 2.64Å; W676-W679 WeakPolarHBondContact O-CB 3.34Å; W676-W679 PolarHBondContact O-N 2.81Å; W676-R684 WeakPolarHBondContact O-CD 3.29Å; W676-N687 HydrophobicContact CD2-CB 3.75Å; W676-N687 HydrophobicContact CE3-CB 3.75Å; W676-N687 HydrophobicContact CG-CB 4.29Å; W676-N687 HydrophobicContact CH2-CB 4.09Å; W676-N687 HydrophobicContact CZ2-CB 4.04Å; W676-N687 HydrophobicContact CZ3-CB 3.94Å; W676-Y688 VanDerWaalsContact CH2-C 3.48Å; W676-L689 HydrophobicContact CH2-CD2 3.74Å; W676-L689 HydrophobicContact CH2-CG 3.77Å; W676-L689 HydrophobicContact CZ2-CD2 4.14Å; W676-L689 HydrophobicContact CZ3-CG 4.36Å
677	I	85.3	Confident	87.1	Confident	88 Å²	88	59.1 Å²	59.1	45%	0.451	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-27.9	177.8	-67.6	167.2	0	0	0	110.8	I673 M674 R675 W679 R684	I673-I677 HydrophobicContact CG2-CD1 4.01Å; I673-I677 HydrophobicContact CG2-CG1 4.44Å; I673-I677 WeakPolarHBondContact O-CG1 3.25Å; I673-I677 PolarHBondContact O-N 3.09Å; M674-I677 PolarHBondContact O-N 2.84Å; M674-I677 HydrophobicContact SD-CD1 4.03Å; R675-I677 VanDerWaalsContact C-N 3.32Å; R675-I677 PolarHBondContact O-N 2.81Å; I677-W679 PolarHBondContact O-N 2.85Å; I677-R684 PolarHBondContact O-NH1 2.86Å
678	S	86.2	Confident	87.1	Confident	91 Å²	91	58.6 Å²	58.6	64%	0.636	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.1	175	77.6	0	0	0	0	114.2	M674 R675 W676	M674-S678 PolarHBondContact O-N 2.82Å; R675-S678 WeakPolarHBondContact O-CB 3.47Å; R675-S678 PolarHBondContact O-N 2.73Å; R675-S678 VanDerWaalsContact O-N 3.14Å; R675-S678 PolarHBondContact O-OG 2.88Å; W676-S678 PolarHBondContact O-N 2.64Å
679	W	87.4	Confident	87.2	Confident	63 Å²	63	57.6 Å²	57.6	24%	0.239	31%	0.308	C	S	.	.	S	Bend	trans	-84.9	158.6	-177.6	-63.6	-3	0	0	0	113.1	I654 R675 W676 I677 R684 N687	I654-W679 HydrophobicContact CB-CH2 4.42Å; I654-W679 HydrophobicContact CB-CZ3 4.06Å; I654-W679 HydrophobicContact CD1-CH2 3.63Å; I654-W679 HydrophobicContact CD1-CZ3 3.96Å; I654-W679 HydrophobicContact CG2-CH2 4.19Å; I654-W679 HydrophobicContact CG2-CZ3 4.06Å; R675-W679 HydrophobicContact CG-CZ2 4.36Å; R675-W679 VanDerWaalsContact O-CD1 3.29Å; R675-W679 PolarHBondContact O-NE1 2.99Å; W676-W679 WeakPolarHBondContact O-CB 3.34Å; W676-W679 PolarHBondContact O-N 2.81Å; I677-W679 PolarHBondContact O-N 2.85Å; W679-R684 HydrophobicContact CB-CB 4.47Å; W679-R684 PolarHBondContact O-NH1 3.18Å; W679-N687 WeakPolarHBondContact CZ3-ND2 3.47Å
680	P	83.7	Confident	87.3	Confident	76 Å²	76	58 Å²	58	49%	0.494	31%	0.31	S	S	.	.			trans	-53.8	150.5	170	-24.4	34.7	0	0	0	112.4	S682 D683 R684	P680-S682 PolarHBondContact O-N 2.99Å; P680-D683 PolarHBondContact O-N 2.95Å; P680-D683 VanDerWaalsContact O-N 3.09Å; P680-R684 PolarHBondContact O-N 3.16Å
681	L	78.2	Confident	87.4	Confident	116 Å²	116	55.8 Å²	55.8	61%	0.607	30%	0.3	S	S	*	.	H	α-helix	trans	-59.9	-34.8	-176.4	-132.4	116.8	0	0	0	112.5	D683 R684 V685	L681-D683 PolarHBondContact O-N 3.43Å; L681-R684 VanDerWaalsContact CD1-NH2 3.27Å; L681-V685 HydrophobicContact CD2-CG2 4.13Å; L681-V685 WeakPolarHBondContact O-CG2 3.48Å; L681-V685 PolarHBondContact O-N 2.83Å
682	S	78.8	Confident	87.4	Confident	99 Å²	99	53.1 Å²	53.1	69%	0.692	28%	0.284	S	S	*	.	H	α-helix	trans	-58.9	-35.3	177.3	49.7	0	0	0	0	113.1	P680	P680-S682 PolarHBondContact O-N 2.99Å
683	D	80.8	Confident	87.2	Confident	71 Å²	71	55.9 Å²	55.9	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-95.9	-16.4	-167.1	-53	-12.2	0	0	0	111.7	P680 L681 N687	P680-D683 PolarHBondContact O-N 2.95Å; P680-D683 VanDerWaalsContact O-N 3.09Å; L681-D683 PolarHBondContact O-N 3.43Å; D683-N687 PolarHBondContact O-OD1 3.47Å
684	R	81.9	Confident	86.8	Confident	87 Å²	87	56.7 Å²	56.7	33%	0.328	31%	0.305	S	S	.	.	H	α-helix	trans	-104.8	-19.1	-176	74.7	-174.2	-175.5	-170	4.7	115.7	W676 I677 W679 P680 L681 G686 N687	W676-R684 WeakPolarHBondContact O-CD 3.29Å; I677-R684 PolarHBondContact O-NH1 2.86Å; W679-R684 HydrophobicContact CB-CB 4.47Å; W679-R684 PolarHBondContact O-NH1 3.18Å; P680-R684 PolarHBondContact O-N 3.16Å; L681-R684 VanDerWaalsContact CD1-NH2 3.27Å; R684-G686 PolarHBondContact O-N 2.89Å; R684-N687 WeakPolarHBondContact O-CB 3.42Å; R684-N687 PolarHBondContact O-N 3.34Å; R684-N687 VanDerWaalsContact O-N 3.09Å
685	V	80.7	Confident	86	Confident	116 Å²	116	58.1 Å²	58.1	70%	0.703	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	-175.3	164.2	0	0	0	0	112.3	L681	L681-V685 HydrophobicContact CD2-CG2 4.13Å; L681-V685 WeakPolarHBondContact O-CG2 3.48Å; L681-V685 PolarHBondContact O-N 2.83Å
686	G	84	Confident	84.9	Confident	14 Å²	14	59.4 Å²	59.4	14%	0.144	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4.9	178.6	0	0	0	0	0	115.2	R684 Y688	R684-G686 PolarHBondContact O-N 2.89Å; G686-Y688 VanDerWaalsContact O-CD1 3.32Å; G686-Y688 WeakPolarHBondContact O-CD1 3.2Å
687	N	91.9	Very high	83.5	Confident	16 Å²	16	61.5 Å²	61.5	9%	0.086	34%	0.338	C	S	.	.			trans	-80.7	136.4	-176.7	-63.7	1.4	0	0	0	110.8	V653 I654 C655 W676 W679 D683 R684	V653-N687 CarbonylContact O-C 3.52Å; V653-N687 VanDerWaalsContact O-CA 3.28Å; V653-N687 WeakPolarHBondContact O-CA 3.27Å; I654-N687 VanDerWaalsContact CA-OD1 3.23Å; I654-N687 WeakPolarHBondContact CA-OD1 3.27Å; I654-N687 HydrophobicContact CG2-CB 4.38Å; C655-N687 PolarHBondContact N-OD1 2.83Å; W676-N687 HydrophobicContact CD2-CB 3.75Å; W676-N687 HydrophobicContact CE3-CB 3.75Å; W676-N687 HydrophobicContact CG-CB 4.29Å; W676-N687 HydrophobicContact CH2-CB 4.09Å; W676-N687 HydrophobicContact CZ2-CB 4.04Å; W676-N687 HydrophobicContact CZ3-CB 3.94Å; W679-N687 WeakPolarHBondContact CZ3-ND2 3.47Å; D683-N687 PolarHBondContact O-OD1 3.47Å; R684-N687 WeakPolarHBondContact O-CB 3.42Å; R684-N687 PolarHBondContact O-N 3.34Å; R684-N687 VanDerWaalsContact O-N 3.09Å
688	Y	93	Very high	82	Confident	37 Å²	37	60.6 Å²	60.6	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158.4	178.6	63.4	-88.8	0	0	0	112.3	H610 K614 V653 W676 G686 I690	H610-Y688 AromaticContact CD2-CD2 3.8Å; K614-Y688 HydrophobicContact CB-CE2 4.31Å; K614-Y688 HydrophobicContact CD-CD1 4.25Å; K614-Y688 HydrophobicContact CD-CE1 3.74Å; K614-Y688 HydrophobicContact CD-CE2 4.33Å; K614-Y688 HydrophobicContact CG-CE1 4.43Å; K614-Y688 HydrophobicContact CG-CE2 4.19Å; V653-Y688 HydrophobicContact CB-CD1 4.19Å; V653-Y688 HydrophobicContact CB-CD2 4.17Å; V653-Y688 HydrophobicContact CB-CE1 3.79Å; V653-Y688 HydrophobicContact CB-CE2 3.77Å; V653-Y688 HydrophobicContact CB-CG 4.37Å; V653-Y688 HydrophobicContact CG1-CD1 4.37Å; V653-Y688 HydrophobicContact CG1-CE1 3.6Å; V653-Y688 HydrophobicContact CG1-CE2 4.25Å; V653-Y688 HydrophobicContact CG2-CD2 4.31Å; V653-Y688 HydrophobicContact CG2-CE2 3.67Å; V653-Y688 PolarHBondContact N-O 3.24Å; V653-Y688 PolarHBondContact O-N 3.21Å; W676-Y688 VanDerWaalsContact CH2-C 3.48Å; G686-Y688 VanDerWaalsContact O-CD1 3.32Å; G686-Y688 WeakPolarHBondContact O-CD1 3.2Å; Y688-I690 HydrophobicContact CD2-CB 4.18Å; Y688-I690 HydrophobicContact CE2-CB 4.03Å; Y688-I690 HydrophobicContact CE2-CD1 4.37Å; Y688-I690 HydrophobicContact CE2-CG2 4.08Å
689	L	95	Very high	80.5	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.4	174.6	-67.8	178.7	0	0	0	109.9	L609 H610 I623 L650 V669 I672 I673 W676	L609-L689 HydrophobicContact CD1-CB 3.6Å; H610-L689 PolarHBondContact N-O 3.17Å; I623-L689 HydrophobicContact CD1-CD1 4.48Å; L650-L689 HydrophobicContact CD1-CB 4.13Å; L650-L689 HydrophobicContact CD1-CD2 4.47Å; L650-L689 HydrophobicContact CD2-CD2 4.49Å; V669-L689 HydrophobicContact CG1-CD1 3.4Å; V669-L689 VanDerWaalsContact CG1-CD1 3.4Å; I672-L689 HydrophobicContact CG2-CD2 4.42Å; I673-L689 HydrophobicContact CD1-CD1 3.89Å; I673-L689 HydrophobicContact CD1-CG 4.17Å; W676-L689 HydrophobicContact CH2-CD2 3.74Å; W676-L689 HydrophobicContact CH2-CG 3.77Å; W676-L689 HydrophobicContact CZ2-CD2 4.14Å; W676-L689 HydrophobicContact CZ3-CG 4.36Å
690	I	94.4	Very high	78.8	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.3	177.4	-169.7	167.6	0	0	0	111.6	H610 H651 V653 Y688	H610-I690 HydrophobicContact CB-CB 4.14Å; H610-I690 HydrophobicContact CB-CD1 4.22Å; H610-I690 HydrophobicContact CB-CG1 3.91Å; H610-I690 CarbonylContact O-C 3.49Å; H610-I690 VanDerWaalsContact O-CA 3.29Å; H610-I690 WeakPolarHBondContact O-CA 3.38Å; H651-I690 WeakPolarHBondContact CA-O 3.46Å; H651-I690 HydrophobicContact CB-CG2 3.78Å; H651-I690 WeakPolarHBondContact CB-O 3.41Å; H651-I690 PolarHBondContact N-O 3.17Å; H651-I690 PolarHBondContact O-N 2.9Å; V653-I690 HydrophobicContact CG2-CG2 3.78Å; Y688-I690 HydrophobicContact CD2-CB 4.18Å; Y688-I690 HydrophobicContact CE2-CB 4.03Å; Y688-I690 HydrophobicContact CE2-CD1 4.37Å; Y688-I690 HydrophobicContact CE2-CG2 4.08Å
691	V	93.8	Very high	77.2	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.9	173.4	176.4	0	0	0	0	109.4	L609 H610 V611 I612 V632 V636 L648 L650	L609-V691 HydrophobicContact CD1-CG2 4.22Å; L609-V691 HydrophobicContact CD2-CG2 4.1Å; L609-V691 HydrophobicContact CG-CG2 4.48Å; H610-V691 PolarHBondContact O-N 3.3Å; V611-V691 WeakPolarHBondContact CA-O 3.39Å; I612-V691 PolarHBondContact N-O 2.98Å; V632-V691 HydrophobicContact CG1-CG2 4.01Å; V636-V691 HydrophobicContact CB-CG1 4.39Å; V636-V691 HydrophobicContact CG1-CG1 4.31Å; V636-V691 HydrophobicContact CG2-CB 4.01Å; V636-V691 HydrophobicContact CG2-CG1 4.1Å; V636-V691 HydrophobicContact CG2-CG2 3.9Å; L648-V691 HydrophobicContact CB-CG1 4Å; L648-V691 HydrophobicContact CD1-CG1 4.28Å; L648-V691 HydrophobicContact CD2-CG1 4.24Å; L648-V691 HydrophobicContact CG-CG1 4.41Å; L650-V691 HydrophobicContact CB-CG2 4.45Å; L650-V691 HydrophobicContact CD1-CG2 3.58Å
692	K	90.1	Very high	75.8	Confident	42 Å²	42	69.7 Å²	69.7	18%	0.183	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-177.3	-179.6	65.7	179.2	-166.9	-179.5	0	110.9	L648 A649 H651 E660 D694	L648-K692 WeakPolarHBondContact CA-O 3.46Å; A649-K692 PolarHBondContact N-O 3.27Å; A649-K692 PolarHBondContact O-N 3.38Å; A649-K692 VanDerWaalsContact O-N 3.14Å; H651-K692 WeakPolarHBondContact CD2-CE 3.41Å; H651-K692 WeakPolarHBondContact CE1-CG 3.46Å; H651-K692 WeakPolarHBondContact ND1-CG 3.39Å; H651-K692 WeakPolarHBondContact NE2-CE 3.46Å; E660-K692 WeakPolarHBondContact OE1-CE 3.42Å; E660-K692 IonicContact OE1-NZ 2.74Å; E660-K692 PolarHBondContact OE1-NZ 2.82Å; E660-K692 IonicContact OE2-NZ 3.47Å; E660-K692 PolarHBondContact OE2-NZ 3.22Å; K692-D694 PolarHBondContact O-N 3.07Å
693	V	87.7	Confident	74.2	Confident	58 Å²	58	68.7 Å²	68.7	35%	0.352	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	130.4	179.8	-173.7	0	0	0	0	110.4	P645 S647 Q695	P645-V693 HydrophobicContact CB-CB 4.4Å; P645-V693 HydrophobicContact CB-CG2 3.65Å; P645-V693 HydrophobicContact CG-CB 4.36Å; P645-V693 HydrophobicContact CG-CG2 3.27Å; S647-V693 WeakPolarHBondContact O-CA 3.36Å; V693-Q695 PolarHBondContact O-N 3.28Å; V693-Q695 VanDerWaalsContact O-N 3.15Å
694	D	82.3	Confident	72.2	Confident	23 Å²	23	69.3 Å²	69.3	12%	0.123	38%	0.375	C	S	.	.			trans	-75.4	99.5	167.5	-175.2	0.1	0	0	0	110	S647 A649 K692 L696 T697 D698	S647-D694 PolarHBondContact O-N 2.94Å; A649-D694 HydrophobicContact CB-CB 3.71Å; K692-D694 PolarHBondContact O-N 3.07Å; D694-L696 VanDerWaalsContact C-N 3.3Å; D694-L696 WeakPolarHBondContact OD1-CB 3.31Å; D694-L696 PolarHBondContact OD1-N 3.41Å; D694-T697 WeakPolarHBondContact CB-OG1 3.37Å; D694-T697 PolarHBondContact OD1-N 3.44Å; D694-T697 WeakPolarHBondContact OD2-CB 3.42Å; D694-T697 WeakPolarHBondContact OD2-CG2 3.15Å; D694-T697 PolarHBondContact OD2-OG1 3.4Å; D694-D698 PolarHBondContact O-N 3.46Å
695	Q	72.3	Confident	69.9	Low	115 Å²	115	69.6 Å²	69.6	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-75.9	-18.5	179.7	-62.1	-173.9	8	0	0	112.9	V693 K699	V693-Q695 PolarHBondContact O-N 3.28Å; V693-Q695 VanDerWaalsContact O-N 3.15Å; Q695-K699 WeakPolarHBondContact O-CB 3.42Å; Q695-K699 VanDerWaalsContact O-CG 3.32Å; Q695-K699 WeakPolarHBondContact O-CG 3.4Å; Q695-K699 PolarHBondContact O-N 3.46Å; Q695-K699 VanDerWaalsContact O-N 3.15Å
696	L	66.4	Low	67.7	Low	115 Å²	115	70 Å²	70	60%	0.602	39%	0.392	S	S	*	.	H	α-helix	trans	-77.3	-46.6	-177.8	-75.9	163	0	0	0	110.5	V662 D694 K699 A700	V662-L696 HydrophobicContact CB-CD1 4.13Å; V662-L696 HydrophobicContact CG2-CD1 3.75Å; D694-L696 VanDerWaalsContact C-N 3.3Å; D694-L696 WeakPolarHBondContact OD1-CB 3.31Å; D694-L696 PolarHBondContact OD1-N 3.41Å; L696-K699 PolarHBondContact O-N 3.15Å; L696-A700 WeakPolarHBondContact O-CB 2.83Å; L696-A700 PolarHBondContact O-N 3.34Å
697	T	59	Low	65.6	Low	56 Å²	56	74.9 Å²	74.9	34%	0.344	42%	0.419	S	S	.	.	H	α-helix	trans	-65.2	-38.4	173.7	39.7	0	0	0	0	112.1	S647 D694 K699 A700 L701	S647-T697 PolarHBondContact OG-OG1 3.4Å; D694-T697 WeakPolarHBondContact CB-OG1 3.37Å; D694-T697 PolarHBondContact OD1-N 3.44Å; D694-T697 WeakPolarHBondContact OD2-CB 3.42Å; D694-T697 WeakPolarHBondContact OD2-CG2 3.15Å; D694-T697 PolarHBondContact OD2-OG1 3.4Å; T697-K699 VanDerWaalsContact C-N 3.31Å; T697-K699 PolarHBondContact O-N 3.25Å; T697-A700 PolarHBondContact O-N 3.15Å; T697-L701 WeakPolarHBondContact O-CB 3.38Å; T697-L701 WeakPolarHBondContact O-CD1 3.47Å; T697-L701 PolarHBondContact O-N 3.22Å
698	D	53.8	Low	62.7	Low	68 Å²	68	82.4 Å²	82.4	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-66.1	-33.8	177.6	-159.2	45.1	0	0	0	112.1	D694 R702	D694-D698 PolarHBondContact O-N 3.46Å; D698-R702 VanDerWaalsContact O-CG 3.31Å; D698-R702 WeakPolarHBondContact O-CG 3.34Å; D698-R702 PolarHBondContact O-N 2.82Å; D698-R702 IonicContact OD1-NE 3.72Å; D698-R702 IonicContact OD2-CZ 3.52Å; D698-R702 IonicContact OD2-NE 3.49Å; D698-R702 PolarHBondContact OD2-NE 2.84Å; D698-R702 IonicContact OD2-NH2 2.72Å; D698-R702 PolarHBondContact OD2-NH2 3.26Å
699	K	54.8	Low	59.8	Low	140 Å²	140	87.7 Å²	87.7	61%	0.609	48%	0.483	S	S	*	.	H	α-helix	trans	-71	-42.3	172.6	-78.7	179.7	-179.6	178.1	0	112.5	Q695 L696 T697 R702 V703	Q695-K699 WeakPolarHBondContact O-CB 3.42Å; Q695-K699 VanDerWaalsContact O-CG 3.32Å; Q695-K699 WeakPolarHBondContact O-CG 3.4Å; Q695-K699 PolarHBondContact O-N 3.46Å; Q695-K699 VanDerWaalsContact O-N 3.15Å; L696-K699 PolarHBondContact O-N 3.15Å; T697-K699 VanDerWaalsContact C-N 3.31Å; T697-K699 PolarHBondContact O-N 3.25Å; K699-R702 PolarHBondContact O-N 2.83Å; K699-V703 PolarHBondContact O-N 2.88Å; K699-V703 VanDerWaalsContact O-N 3.15Å
700	A	52.9	Low	56.8	Low	61 Å²	61	93.6 Å²	93.6	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-37.7	178.1	0	0	0	0	0	112.3	L696 T697 R702 V703	L696-A700 WeakPolarHBondContact O-CB 2.83Å; L696-A700 PolarHBondContact O-N 3.34Å; T697-A700 PolarHBondContact O-N 3.15Å; A700-R702 VanDerWaalsContact C-N 3.34Å; A700-R702 PolarHBondContact O-N 3.26Å; A700-V703 CarbonylContact O-C 3.56Å; A700-V703 PolarHBondContact O-N 2.88Å; A700-V703 VanDerWaalsContact O-O 3.11Å
701	L	49.7	Very low	53.5	Low	144 Å²	144	100.6 Å²	100.6	75%	0.754	56%	0.556	S	S	*	*	H	α-helix	trans	-66.8	-32.9	175.4	-87.4	152.5	0	0	0	112.9	T697	T697-L701 WeakPolarHBondContact O-CB 3.38Å; T697-L701 WeakPolarHBondContact O-CD1 3.47Å; T697-L701 PolarHBondContact O-N 3.22Å
702	R	48.5	Very low	50.5	Low	192 Å²	192	109.9 Å²	109.9	73%	0.725	61%	0.613	S	S	*	*	H	α-helix	trans	-78.9	-27.7	178.6	-72.4	-179	-162.9	-152.1	8.4	113.6	D698 K699 A700	D698-R702 VanDerWaalsContact O-CG 3.31Å; D698-R702 WeakPolarHBondContact O-CG 3.34Å; D698-R702 PolarHBondContact O-N 2.82Å; D698-R702 IonicContact OD1-NE 3.72Å; D698-R702 IonicContact OD2-CZ 3.52Å; D698-R702 IonicContact OD2-NE 3.49Å; D698-R702 PolarHBondContact OD2-NE 2.84Å; D698-R702 IonicContact OD2-NH2 2.72Å; D698-R702 PolarHBondContact OD2-NH2 3.26Å; K699-R702 PolarHBondContact O-N 2.83Å; A700-R702 VanDerWaalsContact C-N 3.34Å; A700-R702 PolarHBondContact O-N 3.26Å
703	V	45.3	Very low	48.5	Very low	79 Å²	79	113.3 Å²	113.3	48%	0.479	63%	0.634	S	S	.	*	S	Bend	trans	-108.6	83.8	-177.8	-175.1	0	0	0	0	107	K699 A700 T705	K699-V703 PolarHBondContact O-N 2.88Å; K699-V703 VanDerWaalsContact O-N 3.15Å; A700-V703 CarbonylContact O-C 3.56Å; A700-V703 PolarHBondContact O-N 2.88Å; A700-V703 VanDerWaalsContact O-O 3.11Å; V703-T705 VanDerWaalsContact CG1-OG1 3.3Å; V703-T705 WeakPolarHBondContact CG1-OG1 3.5Å; V703-T705 PolarHBondContact O-N 3.08Å
704	G	38	Very low	46.5	Very low	83 Å²	83	116.2 Å²	116.2	86%	0.856	65%	0.649	S	S	*	*			trans	-65.6	43.3	-176.1	0	0	0	0	0	115.7
705	T	35.3	Very low	44.5	Very low	93 Å²	93	121.3 Å²	121.3	57%	0.571	68%	0.678	S	S	*	*	S	Bend	trans	-135	133.4	-178.4	24.5	0	0	0	0	108.1	V703 V707	V703-T705 VanDerWaalsContact CG1-OG1 3.3Å; V703-T705 WeakPolarHBondContact CG1-OG1 3.5Å; V703-T705 PolarHBondContact O-N 3.08Å; T705-V707 PolarHBondContact O-N 2.73Å
706	P	33.9	Very low	42.8	Very low	124 Å²	124	121.7 Å²	121.7	81%	0.805	69%	0.687	S	S	*	*			trans	-62.8	114.6	178.8	20.5	-19.9	0	0	0	107.9	E708	P706-E708 VanDerWaalsContact C-N 3.32Å; P706-E708 PolarHBondContact O-N 2.97Å
707	V	38.6	Very low	41.4	Very low	117 Å²	117	122.1 Å²	122.1	71%	0.709	69%	0.692	S	S	*	*			trans	-68.5	95.7	173.7	-179.1	0	0	0	0	106.3	T705 L709	T705-V707 PolarHBondContact O-N 2.73Å; V707-L709 PolarHBondContact O-N 2.92Å; V707-L709 VanDerWaalsContact O-N 3.17Å
708	E	32.7	Very low	40.2	Very low	174 Å²	174	126.5 Å²	126.5	81%	0.813	72%	0.715	S	S	*	*			trans	-54.4	119.4	160.1	-81.6	-176.3	151	0	0	107.1	P706 V710	P706-E708 VanDerWaalsContact C-N 3.32Å; P706-E708 PolarHBondContact O-N 2.97Å; E708-V710 PolarHBondContact O-N 2.93Å
709	L	31.9	Very low	39.2	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	74%	0.74	S	S	*	*			trans	-55.5	104.9	177.4	-81.4	97.1	0	0	0	109.4	V707 L711	V707-L709 PolarHBondContact O-N 2.92Å; V707-L709 VanDerWaalsContact O-N 3.17Å; L709-L711 VanDerWaalsContact C-N 3.26Å; L709-L711 PolarHBondContact O-N 3.01Å
710	V	31.1	Very low	38	Very low	125 Å²	125	130 Å²	130	76%	0.758	75%	0.75	S	S	*	*			trans	-77.3	89.8	160.9	-177.7	0	0	0	0	106.7	E708 T712	E708-V710 PolarHBondContact O-N 2.93Å; V710-T712 HydrophobicContact CG1-CG2 4.37Å; V710-T712 PolarHBondContact O-N 2.96Å
711	L	25.2	Very low	36.8	Very low	155 Å²	155	135.8 Å²	135.8	81%	0.812	77%	0.771	S	S	*	*			trans	-66.3	100.2	160.7	-79.5	154	0	0	0	108.2	L709	L709-L711 VanDerWaalsContact C-N 3.26Å; L709-L711 PolarHBondContact O-N 3.01Å
712	T	30.9	Very low	35.6	Very low	195 Å²	195	135 Å²	135	100%	1.196	77%	0.772	S	S	*	*			trans	-144.8	0	158	50.2	0	0	0	0	110.4	V710	V710-T712 HydrophobicContact CG1-CG2 4.37Å; V710-T712 PolarHBondContact O-N 2.96Å

Retrieved 712 of 712 residues in 505.2 ms (Link to these results)

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